NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21310 | 2hga | 7226 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLN 23 H GLN 23 -3.212 -10.149 -3.798 2 HA GLN 23 HA GLN 23 -2.670 -11.086 -1.062 3 1HB GLN 23 1HB GLN 23 -0.792 -10.725 -3.392 4 2HB GLN 23 2HB GLN 23 -0.217 -10.834 -1.736 5 1HG GLN 23 1HG GLN 23 0.010 -12.983 -2.604 6 2HG GLN 23 2HG GLN 23 -1.444 -13.049 -1.612 7 1HE2 GLN 23 1HE2 GLN 23 -2.298 -14.786 -2.679 8 2HE2 GLN 23 2HE2 GLN 23 -2.903 -14.696 -4.295 9 HA PRO 24 HA PRO 24 -2.470 -6.566 -0.465 10 1HB PRO 24 1HB PRO 24 -3.145 -7.264 2.284 11 2HB PRO 24 2HB PRO 24 -4.028 -6.240 1.150 12 1HG PRO 24 1HG PRO 24 -4.930 -8.672 1.968 13 2HG PRO 24 2HG PRO 24 -5.310 -7.981 0.380 14 1HD PRO 24 1HD PRO 24 -3.284 -10.063 1.109 15 2HD PRO 24 2HD PRO 24 -4.359 -9.975 -0.305 16 H ASP 25 H ASP 25 -0.558 -5.649 0.114 17 HA ASP 25 HA ASP 25 1.195 -7.006 2.005 18 1HB ASP 25 1HB ASP 25 1.492 -8.031 -0.334 19 2HB ASP 25 2HB ASP 25 2.207 -6.490 -0.788 20 H GLY 26 H GLY 26 -0.178 -4.463 1.812 21 1HA GLY 26 1HA GLY 26 0.783 -2.494 2.915 22 2HA GLY 26 2HA GLY 26 2.151 -2.647 1.818 23 H VAL 27 H VAL 27 0.289 -0.393 2.255 24 HA VAL 27 HA VAL 27 -0.924 -0.242 -0.411 25 HB VAL 27 HB VAL 27 -2.105 1.792 0.451 26 1HG1 VAL 27 1HG1 VAL 27 -3.719 0.533 1.828 27 2HG1 VAL 27 2HG1 VAL 27 -2.562 -0.794 1.943 28 3HG1 VAL 27 3HG1 VAL 27 -3.240 -0.347 0.377 29 1HG2 VAL 27 1HG2 VAL 27 -0.893 0.918 3.074 30 2HG2 VAL 27 2HG2 VAL 27 -2.218 2.071 2.920 31 3HG2 VAL 27 3HG2 VAL 27 -0.638 2.450 2.237 32 H GLN 28 H GLN 28 -0.153 1.069 -1.929 33 HA GLN 28 HA GLN 28 2.188 2.694 -1.182 34 1HB GLN 28 1HB GLN 28 2.737 0.817 -2.636 35 2HB GLN 28 2HB GLN 28 1.533 1.338 -3.807 36 1HG GLN 28 1HG GLN 28 2.792 3.299 -4.328 37 2HG GLN 28 2HG GLN 28 3.917 2.986 -3.008 38 1HE2 GLN 28 1HE2 GLN 28 5.685 2.980 -4.371 39 2HE2 GLN 28 2HE2 GLN 28 6.000 1.672 -5.457 40 H ILE 29 H ILE 29 2.505 4.690 -2.128 41 HA ILE 29 HA ILE 29 0.095 6.147 -2.792 42 HB ILE 29 HB ILE 29 2.971 7.075 -2.662 43 1HG1 ILE 29 1HG1 ILE 29 0.756 7.377 -0.620 44 2HG1 ILE 29 2HG1 ILE 29 2.065 6.203 -0.506 45 1HG2 ILE 29 1HG2 ILE 29 1.620 8.543 -4.044 46 2HG2 ILE 29 2HG2 ILE 29 1.997 9.335 -2.513 47 3HG2 ILE 29 3HG2 ILE 29 0.396 8.646 -2.778 48 1HD1 ILE 29 1HD1 ILE 29 3.683 8.035 -0.407 49 2HD1 ILE 29 2HD1 ILE 29 2.492 8.137 0.891 50 3HD1 ILE 29 3HD1 ILE 29 2.363 9.199 -0.510 51 H ASP 30 H ASP 30 -0.633 6.250 -4.799 52 HA ASP 30 HA ASP 30 1.012 5.531 -7.055 53 1HB ASP 30 1HB ASP 30 -1.364 4.904 -6.994 54 2HB ASP 30 2HB ASP 30 -1.820 6.595 -6.930 55 H SER 31 H SER 31 -0.985 8.402 -6.336 56 HA SER 31 HA SER 31 1.143 10.119 -7.308 57 1HB SER 31 1HB SER 31 -0.564 11.245 -8.892 58 2HB SER 31 2HB SER 31 0.180 9.733 -9.415 59 HG SER 31 HG SER 31 -1.669 8.643 -8.986 60 H VAL 32 H VAL 32 0.729 12.379 -6.962 61 HA VAL 32 HA VAL 32 -1.175 12.818 -4.751 62 HB VAL 32 HB VAL 32 1.478 14.196 -5.210 63 1HG1 VAL 32 1HG1 VAL 32 -0.468 14.388 -2.921 64 2HG1 VAL 32 2HG1 VAL 32 -0.126 15.641 -4.115 65 3HG1 VAL 32 3HG1 VAL 32 1.125 15.140 -2.977 66 1HG2 VAL 32 1HG2 VAL 32 1.787 11.875 -4.537 67 2HG2 VAL 32 2HG2 VAL 32 0.725 12.127 -3.151 68 3HG2 VAL 32 3HG2 VAL 32 2.268 12.978 -3.247 69 H VAL 33 H VAL 33 -2.834 14.029 -5.440 70 HA VAL 33 HA VAL 33 -2.319 16.077 -7.457 71 HB VAL 33 HB VAL 33 -4.761 16.099 -7.797 72 1HG1 VAL 33 1HG1 VAL 33 -4.910 13.940 -8.954 73 2HG1 VAL 33 2HG1 VAL 33 -3.469 13.394 -8.095 74 3HG1 VAL 33 3HG1 VAL 33 -3.361 14.736 -9.236 75 1HG2 VAL 33 1HG2 VAL 33 -4.786 13.750 -5.913 76 2HG2 VAL 33 2HG2 VAL 33 -6.158 14.338 -6.850 77 3HG2 VAL 33 3HG2 VAL 33 -5.462 15.344 -5.583 78 HA PRO 34 HA PRO 34 -2.915 19.396 -4.622 79 1HB PRO 34 1HB PRO 34 -4.427 21.118 -6.132 80 2HB PRO 34 2HB PRO 34 -2.683 20.909 -6.319 81 1HG PRO 34 1HG PRO 34 -4.915 19.702 -7.902 82 2HG PRO 34 2HG PRO 34 -3.380 20.384 -8.470 83 1HD PRO 34 1HD PRO 34 -3.738 17.733 -8.264 84 2HD PRO 34 2HD PRO 34 -2.174 18.488 -7.888 85 H GLY 35 H GLY 35 -4.408 20.323 -3.212 86 1HA GLY 35 1HA GLY 35 -6.697 20.714 -2.505 87 2HA GLY 35 2HA GLY 35 -7.156 19.260 -3.382 88 H SER 36 H SER 36 -4.261 18.699 -1.971 89 HA SER 36 HA SER 36 -5.446 17.595 0.483 90 1HB SER 36 1HB SER 36 -3.814 15.703 0.208 91 2HB SER 36 2HB SER 36 -5.032 15.769 -1.066 92 HG SER 36 HG SER 36 -3.533 16.231 -2.501 93 HA PRO 37 HA PRO 37 -2.110 19.768 2.528 94 1HB PRO 37 1HB PRO 37 -2.098 17.633 4.552 95 2HB PRO 37 2HB PRO 37 -2.489 19.346 4.735 96 1HG PRO 37 1HG PRO 37 -4.371 17.424 4.875 97 2HG PRO 37 2HG PRO 37 -4.712 19.032 4.205 98 1HD PRO 37 1HD PRO 37 -4.187 16.448 2.778 99 2HD PRO 37 2HD PRO 37 -5.367 17.724 2.405 100 H ALA 38 H ALA 38 -2.040 16.416 1.709 101 HA ALA 38 HA ALA 38 0.696 15.918 2.362 102 1HB ALA 38 1HB ALA 38 -0.980 14.136 2.334 103 2HB ALA 38 2HB ALA 38 0.357 13.790 1.235 104 3HB ALA 38 3HB ALA 38 -1.184 14.360 0.597 105 H SER 39 H SER 39 -0.687 17.705 -0.087 106 HA SER 39 HA SER 39 0.513 16.872 -2.428 107 1HB SER 39 1HB SER 39 -0.196 19.671 -1.540 108 2HB SER 39 2HB SER 39 0.247 19.238 -3.189 109 HG SER 39 HG SER 39 -1.725 17.646 -2.123 110 H LYS 40 H LYS 40 1.967 18.708 0.199 111 HA LYS 40 HA LYS 40 4.500 18.602 -1.297 112 1HB LYS 40 1HB LYS 40 3.631 20.877 0.494 113 2HB LYS 40 2HB LYS 40 5.177 20.744 -0.332 114 1HG LYS 40 1HG LYS 40 3.795 20.653 -2.493 115 2HG LYS 40 2HG LYS 40 2.464 21.251 -1.500 116 1HD LYS 40 1HD LYS 40 5.135 22.581 -1.946 117 2HD LYS 40 2HD LYS 40 3.571 23.112 -2.566 118 1HE LYS 40 1HE LYS 40 2.795 23.522 -0.295 119 2HE LYS 40 2HE LYS 40 4.331 22.935 0.348 120 1HZ LYS 40 1HZ LYS 40 3.954 25.325 -1.378 121 2HZ LYS 40 2HZ LYS 40 5.450 24.746 -0.826 122 3HZ LYS 40 3HZ LYS 40 4.307 25.332 0.282 123 H VAL 41 H VAL 41 3.199 16.951 0.877 124 HA VAL 41 HA VAL 41 5.240 17.296 2.969 125 HB VAL 41 HB VAL 41 2.669 15.701 3.054 126 1HG1 VAL 41 1HG1 VAL 41 4.732 16.161 5.210 127 2HG1 VAL 41 2HG1 VAL 41 4.414 14.635 4.387 128 3HG1 VAL 41 3HG1 VAL 41 3.180 15.350 5.423 129 1HG2 VAL 41 1HG2 VAL 41 3.475 18.245 4.463 130 2HG2 VAL 41 2HG2 VAL 41 1.961 17.370 4.690 131 3HG2 VAL 41 3HG2 VAL 41 2.322 18.117 3.134 132 H LEU 42 H LEU 42 3.677 14.756 1.030 133 HA LEU 42 HA LEU 42 6.077 13.123 1.428 134 1HB LEU 42 1HB LEU 42 4.472 11.247 0.661 135 2HB LEU 42 2HB LEU 42 4.446 11.805 2.314 136 HG LEU 42 HG LEU 42 2.489 13.301 1.595 137 1HD1 LEU 42 1HD1 LEU 42 2.500 11.371 -0.720 138 2HD1 LEU 42 2HD1 LEU 42 2.798 13.107 -0.812 139 3HD1 LEU 42 3HD1 LEU 42 1.212 12.509 -0.330 140 1HD2 LEU 42 1HD2 LEU 42 2.250 11.349 3.016 141 2HD2 LEU 42 2HD2 LEU 42 2.190 10.304 1.600 142 3HD2 LEU 42 3HD2 LEU 42 0.898 11.467 1.894 143 H THR 43 H THR 43 6.085 11.370 -0.421 144 HA THR 43 HA THR 43 6.111 12.863 -2.962 145 HB THR 43 HB THR 43 7.901 10.531 -2.252 146 HG1 THR 43 HG1 THR 43 8.241 13.317 -1.819 147 1HG2 THR 43 1HG2 THR 43 8.139 12.690 -4.356 148 2HG2 THR 43 2HG2 THR 43 7.639 11.024 -4.649 149 3HG2 THR 43 3HG2 THR 43 9.279 11.371 -4.092 150 HA PRO 44 HA PRO 44 3.413 9.580 -4.475 151 1HB PRO 44 1HB PRO 44 3.943 9.956 -7.147 152 2HB PRO 44 2HB PRO 44 2.740 10.865 -6.231 153 1HG PRO 44 1HG PRO 44 5.509 11.644 -7.017 154 2HG PRO 44 2HG PRO 44 4.047 12.640 -6.937 155 1HD PRO 44 1HD PRO 44 5.981 12.709 -5.038 156 2HD PRO 44 2HD PRO 44 4.267 12.997 -4.669 157 H GLY 45 H GLY 45 3.771 7.477 -5.030 158 1HA GLY 45 1HA GLY 45 4.986 5.712 -6.064 159 2HA GLY 45 2HA GLY 45 6.410 6.743 -6.083 160 H LEU 46 H LEU 46 5.315 7.243 -3.090 161 HA LEU 46 HA LEU 46 7.264 5.412 -1.997 162 1HB LEU 46 1HB LEU 46 5.461 7.332 -0.517 163 2HB LEU 46 2HB LEU 46 6.879 6.528 0.125 164 HG LEU 46 HG LEU 46 6.768 8.742 -1.911 165 1HD1 LEU 46 1HD1 LEU 46 8.179 9.896 -0.278 166 2HD1 LEU 46 2HD1 LEU 46 8.060 8.505 0.800 167 3HD1 LEU 46 3HD1 LEU 46 6.617 9.438 0.397 168 1HD2 LEU 46 1HD2 LEU 46 8.397 7.132 -2.692 169 2HD2 LEU 46 2HD2 LEU 46 9.155 7.095 -1.101 170 3HD2 LEU 46 3HD2 LEU 46 9.204 8.571 -2.067 171 H VAL 47 H VAL 47 6.728 4.129 -0.018 172 HA VAL 47 HA VAL 47 4.117 2.815 -0.393 173 HB VAL 47 HB VAL 47 6.652 1.583 0.705 174 1HG1 VAL 47 1HG1 VAL 47 5.437 -0.543 0.436 175 2HG1 VAL 47 2HG1 VAL 47 3.995 0.361 -0.029 176 3HG1 VAL 47 3HG1 VAL 47 4.665 0.537 1.595 177 1HG2 VAL 47 1HG2 VAL 47 6.793 0.365 -1.409 178 2HG2 VAL 47 2HG2 VAL 47 6.894 2.105 -1.669 179 3HG2 VAL 47 3HG2 VAL 47 5.392 1.246 -2.017 180 H ILE 48 H ILE 48 2.753 2.861 1.285 181 HA ILE 48 HA ILE 48 3.604 4.028 3.805 182 HB ILE 48 HB ILE 48 0.887 3.052 2.917 183 1HG1 ILE 48 1HG1 ILE 48 1.971 5.868 3.110 184 2HG1 ILE 48 2HG1 ILE 48 1.765 4.971 1.610 185 1HG2 ILE 48 1HG2 ILE 48 1.666 4.692 5.324 186 2HG2 ILE 48 2HG2 ILE 48 1.102 3.022 5.340 187 3HG2 ILE 48 3HG2 ILE 48 0.015 4.313 4.830 188 1HD1 ILE 48 1HD1 ILE 48 -0.643 4.912 1.967 189 2HD1 ILE 48 2HD1 ILE 48 -0.038 6.570 1.966 190 3HD1 ILE 48 3HD1 ILE 48 -0.444 5.779 3.490 191 H GLU 49 H GLU 49 4.475 2.786 5.305 192 HA GLU 49 HA GLU 49 4.095 -0.076 5.239 193 1HB GLU 49 1HB GLU 49 5.749 1.646 7.085 194 2HB GLU 49 2HB GLU 49 5.799 -0.106 7.014 195 1HG GLU 49 1HG GLU 49 6.525 0.074 4.640 196 2HG GLU 49 2HG GLU 49 6.607 1.821 4.848 197 H SER 50 H SER 50 3.438 2.592 7.491 198 HA SER 50 HA SER 50 1.183 1.185 8.547 199 1HB SER 50 1HB SER 50 2.083 1.163 10.924 200 2HB SER 50 2HB SER 50 2.759 -0.047 9.830 201 HG SER 50 HG SER 50 4.487 1.577 9.478 202 H ILE 51 H ILE 51 -0.110 2.405 9.902 203 HA ILE 51 HA ILE 51 0.532 5.278 9.983 204 HB ILE 51 HB ILE 51 -2.179 4.023 10.492 205 1HG1 ILE 51 1HG1 ILE 51 -1.030 4.997 7.868 206 2HG1 ILE 51 2HG1 ILE 51 -1.449 3.334 8.268 207 1HG2 ILE 51 1HG2 ILE 51 -2.987 6.267 9.755 208 2HG2 ILE 51 2HG2 ILE 51 -1.310 6.816 9.757 209 3HG2 ILE 51 3HG2 ILE 51 -2.072 6.281 11.257 210 1HD1 ILE 51 1HD1 ILE 51 -3.371 5.637 8.041 211 2HD1 ILE 51 2HD1 ILE 51 -3.797 3.969 8.431 212 3HD1 ILE 51 3HD1 ILE 51 -3.124 4.362 6.847 213 H ASN 52 H ASN 52 -0.533 6.312 12.093 214 HA ASN 52 HA ASN 52 0.979 5.459 14.219 215 1HB ASN 52 1HB ASN 52 -0.357 7.015 15.603 216 2HB ASN 52 2HB ASN 52 0.252 7.723 14.122 217 1HD2 ASN 52 1HD2 ASN 52 -1.953 8.496 15.868 218 2HD2 ASN 52 2HD2 ASN 52 -3.355 8.564 14.852 219 H GLY 53 H GLY 53 0.821 3.469 15.011 220 1HA GLY 53 1HA GLY 53 0.010 1.829 16.412 221 2HA GLY 53 2HA GLY 53 -1.411 2.822 16.683 222 H MET 54 H MET 54 -1.038 2.480 13.408 223 HA MET 54 HA MET 54 -2.675 0.055 13.286 224 1HB MET 54 1HB MET 54 -3.401 2.724 12.055 225 2HB MET 54 2HB MET 54 -4.243 1.212 11.754 226 1HG MET 54 1HG MET 54 -5.012 1.093 13.997 227 2HG MET 54 2HG MET 54 -3.963 2.420 14.490 228 1HE MET 54 1HE MET 54 -5.610 5.491 12.747 229 2HE MET 54 2HE MET 54 -4.299 4.485 12.131 230 3HE MET 54 3HE MET 54 -4.337 4.935 13.835 231 HA PRO 55 HA PRO 55 0.423 -0.124 9.932 232 1HB PRO 55 1HB PRO 55 0.121 -3.000 10.157 233 2HB PRO 55 2HB PRO 55 1.551 -2.013 10.455 234 1HG PRO 55 1HG PRO 55 0.194 -3.300 12.429 235 2HG PRO 55 2HG PRO 55 1.093 -1.795 12.688 236 1HD PRO 55 1HD PRO 55 -1.850 -2.207 12.326 237 2HD PRO 55 2HD PRO 55 -0.995 -1.117 13.439 238 H THR 56 H THR 56 -0.041 -0.207 7.805 239 HA THR 56 HA THR 56 -2.637 -1.353 7.061 240 HB THR 56 HB THR 56 -2.482 0.269 5.106 241 HG1 THR 56 HG1 THR 56 -0.292 0.831 5.287 242 1HG2 THR 56 1HG2 THR 56 -2.697 1.357 7.915 243 2HG2 THR 56 2HG2 THR 56 -3.997 0.621 6.980 244 3HG2 THR 56 3HG2 THR 56 -3.300 2.158 6.464 245 H SER 57 H SER 57 -1.685 -3.414 6.705 246 HA SER 57 HA SER 57 0.133 -3.649 4.443 247 1HB SER 57 1HB SER 57 -1.117 -5.819 6.151 248 2HB SER 57 2HB SER 57 0.195 -6.028 4.993 249 HG SER 57 HG SER 57 1.273 -4.340 6.393 250 H ASN 58 H ASN 58 -3.182 -3.475 4.978 251 HA ASN 58 HA ASN 58 -3.718 -4.874 2.439 252 1HB ASN 58 1HB ASN 58 -5.833 -4.841 4.557 253 2HB ASN 58 2HB ASN 58 -5.536 -6.028 3.294 254 1HD2 ASN 58 1HD2 ASN 58 -4.063 -7.691 3.672 255 2HD2 ASN 58 2HD2 ASN 58 -3.461 -8.044 5.256 256 H LEU 59 H LEU 59 -6.040 -4.213 1.673 257 HA LEU 59 HA LEU 59 -6.113 -1.354 1.535 258 1HB LEU 59 1HB LEU 59 -7.780 -3.579 0.381 259 2HB LEU 59 2HB LEU 59 -8.166 -1.900 0.133 260 HG LEU 59 HG LEU 59 -5.615 -3.234 -0.737 261 1HD1 LEU 59 1HD1 LEU 59 -8.000 -2.292 -2.325 262 2HD1 LEU 59 2HD1 LEU 59 -7.537 -3.971 -2.038 263 3HD1 LEU 59 3HD1 LEU 59 -6.495 -2.920 -2.998 264 1HD2 LEU 59 1HD2 LEU 59 -5.311 -0.870 -0.172 265 2HD2 LEU 59 2HD2 LEU 59 -6.638 -0.444 -1.253 266 3HD2 LEU 59 3HD2 LEU 59 -5.160 -1.151 -1.906 267 H THR 60 H THR 60 -7.998 -3.939 2.988 268 HA THR 60 HA THR 60 -10.156 -2.355 3.884 269 HB THR 60 HB THR 60 -9.233 -4.880 5.254 270 HG1 THR 60 HG1 THR 60 -10.885 -4.913 2.946 271 1HG2 THR 60 1HG2 THR 60 -11.965 -3.750 4.620 272 2HG2 THR 60 2HG2 THR 60 -11.179 -3.735 6.198 273 3HG2 THR 60 3HG2 THR 60 -11.653 -5.267 5.464 274 H THR 61 H THR 61 -7.126 -3.370 5.471 275 HA THR 61 HA THR 61 -7.749 -2.285 8.002 276 HB THR 61 HB THR 61 -5.119 -2.230 8.158 277 HG1 THR 61 HG1 THR 61 -4.733 -4.221 6.523 278 1HG2 THR 61 1HG2 THR 61 -6.519 -3.794 9.369 279 2HG2 THR 61 2HG2 THR 61 -5.146 -4.646 8.665 280 3HG2 THR 61 3HG2 THR 61 -6.737 -4.767 7.913 281 H TYR 62 H TYR 62 -6.290 -0.942 5.115 282 HA TYR 62 HA TYR 62 -5.486 1.537 6.164 283 1HB TYR 62 1HB TYR 62 -4.827 0.784 3.922 284 2HB TYR 62 2HB TYR 62 -6.504 0.852 3.393 285 HD1 TYR 62 HD1 TYR 62 -7.484 2.900 2.680 286 HD2 TYR 62 HD2 TYR 62 -3.611 2.907 4.439 287 HE1 TYR 62 HE1 TYR 62 -7.170 5.230 1.961 288 HE2 TYR 62 HE2 TYR 62 -3.285 5.239 3.728 289 HH TYR 62 HH TYR 62 -4.189 6.760 1.939 290 H SER 63 H SER 63 -8.551 0.431 4.800 291 HA SER 63 HA SER 63 -9.906 2.911 5.048 292 1HB SER 63 1HB SER 63 -10.533 0.835 3.614 293 2HB SER 63 2HB SER 63 -11.244 0.202 5.092 294 HG SER 63 HG SER 63 -12.177 2.148 3.406 295 H ALA 64 H ALA 64 -9.642 0.047 7.124 296 HA ALA 64 HA ALA 64 -11.531 0.775 9.065 297 1HB ALA 64 1HB ALA 64 -9.029 -0.872 9.425 298 2HB ALA 64 2HB ALA 64 -10.594 -1.481 8.881 299 3HB ALA 64 3HB ALA 64 -10.417 -0.838 10.515 300 H ALA 65 H ALA 65 -8.153 1.611 8.673 301 HA ALA 65 HA ALA 65 -7.917 2.993 11.166 302 1HB ALA 65 1HB ALA 65 -5.824 3.853 10.269 303 2HB ALA 65 2HB ALA 65 -6.257 3.277 8.661 304 3HB ALA 65 3HB ALA 65 -5.961 2.122 9.960 305 H LEU 66 H LEU 66 -8.544 3.939 7.826 306 HA LEU 66 HA LEU 66 -8.515 6.706 8.139 307 1HB LEU 66 1HB LEU 66 -9.341 4.726 6.167 308 2HB LEU 66 2HB LEU 66 -10.304 6.180 6.113 309 HG LEU 66 HG LEU 66 -8.347 6.148 4.549 310 1HD1 LEU 66 1HD1 LEU 66 -9.403 8.223 5.183 311 2HD1 LEU 66 2HD1 LEU 66 -7.657 8.442 5.052 312 3HD1 LEU 66 3HD1 LEU 66 -8.413 8.312 6.640 313 1HD2 LEU 66 1HD2 LEU 66 -6.750 5.021 6.027 314 2HD2 LEU 66 2HD2 LEU 66 -6.764 6.418 7.106 315 3HD2 LEU 66 3HD2 LEU 66 -6.131 6.573 5.467 316 H LYS 67 H LYS 67 -11.114 4.363 8.561 317 HA LYS 67 HA LYS 67 -13.242 6.209 8.637 318 1HB LYS 67 1HB LYS 67 -13.013 3.435 9.805 319 2HB LYS 67 2HB LYS 67 -14.508 4.356 9.731 320 1HG LYS 67 1HG LYS 67 -14.457 4.354 7.327 321 2HG LYS 67 2HG LYS 67 -12.869 3.581 7.328 322 1HD LYS 67 1HD LYS 67 -13.869 1.623 8.465 323 2HD LYS 67 2HD LYS 67 -15.451 2.393 8.342 324 1HE LYS 67 1HE LYS 67 -13.689 1.684 5.999 325 2HE LYS 67 2HE LYS 67 -15.040 0.708 6.574 326 1HZ LYS 67 1HZ LYS 67 -15.197 3.469 5.492 327 2HZ LYS 67 2HZ LYS 67 -16.506 2.608 6.131 328 3HZ LYS 67 3HZ LYS 67 -15.732 2.055 4.729 329 H THR 68 H THR 68 -10.812 5.615 10.949 330 HA THR 68 HA THR 68 -12.522 6.572 13.125 331 HB THR 68 HB THR 68 -10.639 6.024 14.640 332 HG1 THR 68 HG1 THR 68 -9.384 5.495 12.201 333 1HG2 THR 68 1HG2 THR 68 -11.537 3.775 12.843 334 2HG2 THR 68 2HG2 THR 68 -12.399 4.394 14.254 335 3HG2 THR 68 3HG2 THR 68 -10.842 3.588 14.453 336 H ILE 69 H ILE 69 -10.364 7.770 10.853 337 HA ILE 69 HA ILE 69 -9.235 9.829 12.583 338 HB ILE 69 HB ILE 69 -8.856 9.640 9.600 339 1HG1 ILE 69 1HG1 ILE 69 -8.284 7.445 10.522 340 2HG1 ILE 69 2HG1 ILE 69 -6.828 8.303 10.036 341 1HG2 ILE 69 1HG2 ILE 69 -7.174 10.776 11.830 342 2HG2 ILE 69 2HG2 ILE 69 -8.110 11.691 10.645 343 3HG2 ILE 69 3HG2 ILE 69 -6.718 10.739 10.126 344 1HD1 ILE 69 1HD1 ILE 69 -6.362 8.861 12.349 345 2HD1 ILE 69 2HD1 ILE 69 -6.545 7.117 12.148 346 3HD1 ILE 69 3HD1 ILE 69 -7.853 8.063 12.856 347 H SER 70 H SER 70 -9.669 12.025 12.390 348 HA SER 70 HA SER 70 -12.200 12.637 11.021 349 1HB SER 70 1HB SER 70 -10.811 14.066 13.300 350 2HB SER 70 2HB SER 70 -12.353 14.545 12.591 351 HG SER 70 HG SER 70 -11.740 12.181 14.044 352 H VAL 71 H VAL 71 -12.364 15.063 10.389 353 HA VAL 71 HA VAL 71 -10.277 15.540 8.432 354 HB VAL 71 HB VAL 71 -12.712 17.228 9.029 355 1HG1 VAL 71 1HG1 VAL 71 -12.399 18.055 6.744 356 2HG1 VAL 71 2HG1 VAL 71 -10.950 17.060 6.589 357 3HG1 VAL 71 3HG1 VAL 71 -10.992 18.383 7.757 358 1HG2 VAL 71 1HG2 VAL 71 -12.440 15.065 6.944 359 2HG2 VAL 71 2HG2 VAL 71 -13.861 16.059 7.262 360 3HG2 VAL 71 3HG2 VAL 71 -13.316 14.890 8.465 361 H GLY 72 H GLY 72 -8.540 16.697 8.849 362 1HA GLY 72 1HA GLY 72 -7.489 18.751 9.493 363 2HA GLY 72 2HA GLY 72 -8.732 18.963 10.719 364 H GLU 73 H GLU 73 -8.005 15.823 10.835 365 HA GLU 73 HA GLU 73 -6.323 16.133 13.170 366 1HB GLU 73 1HB GLU 73 -8.327 14.639 13.125 367 2HB GLU 73 2HB GLU 73 -7.485 13.644 11.954 368 1HG GLU 73 1HG GLU 73 -5.844 13.008 13.531 369 2HG GLU 73 2HG GLU 73 -6.423 14.196 14.699 370 H VAL 74 H VAL 74 -4.335 15.077 13.425 371 HA VAL 74 HA VAL 74 -2.936 14.603 10.877 372 HB VAL 74 HB VAL 74 -1.777 15.569 13.504 373 1HG1 VAL 74 1HG1 VAL 74 -0.472 15.188 10.816 374 2HG1 VAL 74 2HG1 VAL 74 -0.179 14.228 12.269 375 3HG1 VAL 74 3HG1 VAL 74 0.285 15.933 12.227 376 1HG2 VAL 74 1HG2 VAL 74 -3.121 17.287 12.436 377 2HG2 VAL 74 2HG2 VAL 74 -2.262 17.039 10.917 378 3HG2 VAL 74 3HG2 VAL 74 -1.407 17.686 12.316 379 H ILE 75 H ILE 75 -2.174 12.646 10.517 380 HA ILE 75 HA ILE 75 -1.977 10.776 12.781 381 HB ILE 75 HB ILE 75 -2.210 8.969 11.080 382 1HG1 ILE 75 1HG1 ILE 75 -2.909 11.269 9.238 383 2HG1 ILE 75 2HG1 ILE 75 -1.477 10.251 9.113 384 1HG2 ILE 75 1HG2 ILE 75 -4.637 9.286 10.755 385 2HG2 ILE 75 2HG2 ILE 75 -4.462 10.960 11.282 386 3HG2 ILE 75 3HG2 ILE 75 -4.109 9.642 12.398 387 1HD1 ILE 75 1HD1 ILE 75 -4.328 9.340 8.784 388 2HD1 ILE 75 2HD1 ILE 75 -2.898 8.315 8.665 389 3HD1 ILE 75 3HD1 ILE 75 -3.157 9.605 7.491 390 H ASN 76 H ASN 76 -0.348 9.002 12.464 391 HA ASN 76 HA ASN 76 2.162 10.208 11.509 392 1HB ASN 76 1HB ASN 76 2.177 9.844 13.888 393 2HB ASN 76 2HB ASN 76 1.577 8.204 13.695 394 1HD2 ASN 76 1HD2 ASN 76 2.965 6.586 13.127 395 2HD2 ASN 76 2HD2 ASN 76 4.684 6.775 13.149 396 H ILE 77 H ILE 77 2.907 9.361 9.661 397 HA ILE 77 HA ILE 77 2.187 6.561 9.024 398 HB ILE 77 HB ILE 77 2.556 8.876 7.108 399 1HG1 ILE 77 1HG1 ILE 77 0.095 7.262 7.826 400 2HG1 ILE 77 2HG1 ILE 77 0.417 8.917 8.337 401 1HG2 ILE 77 1HG2 ILE 77 1.888 5.988 6.552 402 2HG2 ILE 77 2HG2 ILE 77 3.402 6.804 6.153 403 3HG2 ILE 77 3HG2 ILE 77 1.903 7.287 5.360 404 1HD1 ILE 77 1HD1 ILE 77 -1.150 8.854 6.495 405 2HD1 ILE 77 2HD1 ILE 77 0.023 7.986 5.503 406 3HD1 ILE 77 3HD1 ILE 77 0.348 9.645 6.009 407 H THR 78 H THR 78 3.871 5.294 9.165 408 HA THR 78 HA THR 78 6.549 6.305 8.599 409 HB THR 78 HB THR 78 5.632 3.620 9.664 410 HG1 THR 78 HG1 THR 78 6.994 5.767 10.971 411 1HG2 THR 78 1HG2 THR 78 8.424 4.740 9.347 412 2HG2 THR 78 2HG2 THR 78 7.738 3.383 8.453 413 3HG2 THR 78 3HG2 THR 78 8.012 3.246 10.189 414 H THR 79 H THR 79 7.491 6.019 6.698 415 HA THR 79 HA THR 79 6.487 3.885 4.931 416 HB THR 79 HB THR 79 6.924 5.306 2.999 417 HG1 THR 79 HG1 THR 79 7.934 7.059 4.977 418 1HG2 THR 79 1HG2 THR 79 5.182 6.999 3.311 419 2HG2 THR 79 2HG2 THR 79 5.248 6.750 5.055 420 3HG2 THR 79 3HG2 THR 79 4.699 5.449 3.999 421 H ASP 80 H ASP 80 8.179 3.531 3.100 422 HA ASP 80 HA ASP 80 10.620 2.636 4.097 423 1HB ASP 80 1HB ASP 80 9.606 1.971 1.913 424 2HB ASP 80 2HB ASP 80 10.034 3.561 1.275 425 H GLN 81 H GLN 81 9.636 5.738 2.880 426 HA GLN 81 HA GLN 81 12.351 6.761 2.813 427 1HB GLN 81 1HB GLN 81 9.686 7.963 2.079 428 2HB GLN 81 2HB GLN 81 11.213 8.834 1.979 429 1HG GLN 81 1HG GLN 81 10.344 6.433 0.408 430 2HG GLN 81 2HG GLN 81 10.760 8.044 -0.185 431 1HE2 GLN 81 1HE2 GLN 81 12.936 8.737 0.183 432 2HE2 GLN 81 2HE2 GLN 81 14.230 7.598 0.050 433 H GLY 82 H GLY 82 10.623 6.070 5.249 434 1HA GLY 82 1HA GLY 82 11.394 6.879 7.402 435 2HA GLY 82 2HA GLY 82 11.408 8.501 6.720 436 H THR 83 H THR 83 10.193 8.433 8.986 437 HA THR 83 HA THR 83 7.351 7.930 8.588 438 HB THR 83 HB THR 83 8.830 8.839 11.067 439 HG1 THR 83 HG1 THR 83 9.347 6.789 11.169 440 1HG2 THR 83 1HG2 THR 83 6.784 8.200 12.256 441 2HG2 THR 83 2HG2 THR 83 6.009 7.822 10.717 442 3HG2 THR 83 3HG2 THR 83 6.469 9.485 11.087 443 H PHE 84 H PHE 84 5.906 9.496 8.222 444 HA PHE 84 HA PHE 84 6.736 12.299 8.613 445 1HB PHE 84 1HB PHE 84 4.990 11.217 6.386 446 2HB PHE 84 2HB PHE 84 5.414 12.905 6.635 447 HD1 PHE 84 HD1 PHE 84 7.772 13.638 6.305 448 HD2 PHE 84 HD2 PHE 84 6.430 9.738 5.244 449 HE1 PHE 84 HE1 PHE 84 9.743 13.355 4.862 450 HE2 PHE 84 HE2 PHE 84 8.403 9.451 3.803 451 HZ PHE 84 HZ PHE 84 10.059 11.259 3.610 452 H HIS 85 H HIS 85 4.947 13.771 9.028 453 HA HIS 85 HA HIS 85 2.628 12.419 10.231 454 1HB HIS 85 1HB HIS 85 3.633 15.230 10.678 455 2HB HIS 85 2HB HIS 85 2.242 14.510 11.464 456 HD1 HIS 85 HD1 HIS 85 5.741 15.116 11.974 457 HD2 HIS 85 HD2 HIS 85 3.056 12.137 13.071 458 HE1 HIS 85 HE1 HIS 85 6.823 13.898 13.893 459 HE2 HIS 85 HE2 HIS 85 5.087 12.237 14.666 460 H LEU 86 H LEU 86 0.731 12.606 9.249 461 HA LEU 86 HA LEU 86 0.541 14.541 7.058 462 1HB LEU 86 1HB LEU 86 -0.106 11.684 7.260 463 2HB LEU 86 2HB LEU 86 -1.243 12.661 6.384 464 HG LEU 86 HG LEU 86 0.269 11.734 4.799 465 1HD1 LEU 86 1HD1 LEU 86 1.272 13.726 3.808 466 2HD1 LEU 86 2HD1 LEU 86 1.030 14.602 5.320 467 3HD1 LEU 86 3HD1 LEU 86 -0.361 14.044 4.391 468 1HD2 LEU 86 1HD2 LEU 86 2.504 12.853 6.481 469 2HD2 LEU 86 2HD2 LEU 86 2.688 12.032 4.931 470 3HD2 LEU 86 3HD2 LEU 86 2.074 11.150 6.329 471 H LYS 87 H LYS 87 -1.130 15.813 6.963 472 HA LYS 87 HA LYS 87 -3.245 15.571 8.967 473 1HB LYS 87 1HB LYS 87 -2.182 17.776 8.707 474 2HB LYS 87 2HB LYS 87 -2.626 17.797 7.006 475 1HG LYS 87 1HG LYS 87 -4.998 17.770 7.643 476 2HG LYS 87 2HG LYS 87 -4.527 17.807 9.341 477 1HD LYS 87 1HD LYS 87 -3.436 19.966 9.003 478 2HD LYS 87 2HD LYS 87 -3.864 19.922 7.291 479 1HE LYS 87 1HE LYS 87 -6.229 19.942 7.867 480 2HE LYS 87 2HE LYS 87 -5.827 19.930 9.582 481 1HZ LYS 87 1HZ LYS 87 -5.171 22.088 7.648 482 2HZ LYS 87 2HZ LYS 87 -4.733 22.077 9.292 483 3HZ LYS 87 3HZ LYS 87 -6.368 22.149 8.849 484 H THR 88 H THR 88 -5.303 15.057 8.448 485 HA THR 88 HA THR 88 -5.827 13.775 5.986 486 HB THR 88 HB THR 88 -8.173 13.678 6.783 487 HG1 THR 88 HG1 THR 88 -8.293 14.455 9.119 488 1HG2 THR 88 1HG2 THR 88 -7.690 12.307 8.753 489 2HG2 THR 88 2HG2 THR 88 -6.072 13.001 8.841 490 3HG2 THR 88 3HG2 THR 88 -6.528 12.000 7.463 491 H GLY 89 H GLY 89 -7.069 14.365 4.243 492 1HA GLY 89 1HA GLY 89 -6.781 17.087 3.507 493 2HA GLY 89 2HA GLY 89 -7.492 15.812 2.535 494 H ARG 90 H ARG 90 -8.788 17.777 2.010 495 HA ARG 90 HA ARG 90 -10.665 18.542 4.119 496 1HB ARG 90 1HB ARG 90 -9.112 20.228 3.044 497 2HB ARG 90 2HB ARG 90 -10.014 20.006 1.556 498 1HG ARG 90 1HG ARG 90 -10.748 22.004 2.651 499 2HG ARG 90 2HG ARG 90 -12.042 20.807 2.694 500 1HD ARG 90 1HD ARG 90 -11.943 20.582 4.946 501 2HD ARG 90 2HD ARG 90 -10.198 20.835 5.003 502 HE ARG 90 HE ARG 90 -10.687 23.242 4.642 503 1HH1 ARG 90 1HH1 ARG 90 -13.191 21.166 5.954 504 2HH1 ARG 90 2HH1 ARG 90 -13.988 22.456 6.798 505 1HH2 ARG 90 1HH2 ARG 90 -11.713 24.926 5.757 506 2HH2 ARG 90 2HH2 ARG 90 -13.139 24.605 6.697 507 H ASN 91 H ASN 91 -10.677 16.404 1.769 508 HA ASN 91 HA ASN 91 -12.296 15.234 0.696 509 1HB ASN 91 1HB ASN 91 -14.148 17.020 2.277 510 2HB ASN 91 2HB ASN 91 -14.695 15.685 1.269 511 1HD2 ASN 91 1HD2 ASN 91 -13.118 16.595 4.207 512 2HD2 ASN 91 2HD2 ASN 91 -13.123 15.027 4.928 513 HA PRO 92 HA PRO 92 -13.089 18.221 -2.632 514 1HB PRO 92 1HB PRO 92 -11.485 16.810 -4.434 515 2HB PRO 92 2HB PRO 92 -11.014 18.258 -3.543 516 1HG PRO 92 1HG PRO 92 -9.949 15.653 -3.239 517 2HG PRO 92 2HG PRO 92 -9.636 17.061 -2.211 518 1HD PRO 92 1HD PRO 92 -11.502 14.780 -1.790 519 2HD PRO 92 2HD PRO 92 -10.635 15.772 -0.597 520 H ASN 93 H ASN 93 -14.780 17.940 -3.923 521 HA ASN 93 HA ASN 93 -16.355 17.077 -5.297 522 1HB ASN 93 1HB ASN 93 -14.473 15.979 -6.472 523 2HB ASN 93 2HB ASN 93 -14.651 14.586 -5.412 524 1HD2 ASN 93 1HD2 ASN 93 -15.165 13.139 -7.009 525 2HD2 ASN 93 2HD2 ASN 93 -16.649 13.193 -7.904 526 H ASN 94 H ASN 94 -15.242 14.949 -2.735 527 HA ASN 94 HA ASN 94 -18.036 14.086 -2.333 528 1HB ASN 94 1HB ASN 94 -15.525 12.421 -2.261 529 2HB ASN 94 2HB ASN 94 -16.998 11.910 -1.446 530 1HD2 ASN 94 1HD2 ASN 94 -18.774 11.290 -2.666 531 2HD2 ASN 94 2HD2 ASN 94 -18.662 10.954 -4.359 532 H SER 95 H SER 95 -18.736 13.846 -0.233 533 HA SER 95 HA SER 95 -17.041 15.121 1.780 534 1HB SER 95 1HB SER 95 -20.015 14.551 1.776 535 2HB SER 95 2HB SER 95 -19.141 15.366 3.073 536 HG SER 95 HG SER 95 -18.735 16.440 0.557 537 H SER 96 H SER 96 -15.975 13.843 3.138 538 HA SER 96 HA SER 96 -17.315 11.615 4.422 539 1HB SER 96 1HB SER 96 -14.729 11.237 2.877 540 2HB SER 96 2HB SER 96 -15.464 10.034 3.936 541 HG SER 96 HG SER 96 -17.314 10.856 2.216 542 H ARG 97 H ARG 97 -15.216 10.561 5.837 543 HA ARG 97 HA ARG 97 -14.136 12.913 7.222 544 1HB ARG 97 1HB ARG 97 -13.804 11.442 9.162 545 2HB ARG 97 2HB ARG 97 -15.487 11.477 8.660 546 1HG ARG 97 1HG ARG 97 -15.265 9.314 7.618 547 2HG ARG 97 2HG ARG 97 -13.535 9.296 7.955 548 1HD ARG 97 1HD ARG 97 -14.670 7.931 9.575 549 2HD ARG 97 2HD ARG 97 -14.033 9.371 10.368 550 HE ARG 97 HE ARG 97 -16.699 9.841 9.591 551 1HH1 ARG 97 1HH1 ARG 97 -14.845 7.963 11.894 552 2HH1 ARG 97 2HH1 ARG 97 -16.110 7.928 13.091 553 1HH2 ARG 97 1HH2 ARG 97 -18.400 9.730 11.129 554 2HH2 ARG 97 2HH2 ARG 97 -18.143 8.898 12.633 555 H ALA 98 H ALA 98 -12.035 13.313 7.119 556 HA ALA 98 HA ALA 98 -9.812 13.144 6.715 557 1HB ALA 98 1HB ALA 98 -8.689 11.061 7.260 558 2HB ALA 98 2HB ALA 98 -10.229 10.208 7.248 559 3HB ALA 98 3HB ALA 98 -9.915 11.434 8.473 560 H TYR 99 H TYR 99 -9.854 13.752 4.509 561 HA TYR 99 HA TYR 99 -9.995 11.461 2.642 562 1HB TYR 99 1HB TYR 99 -11.626 13.590 2.571 563 2HB TYR 99 2HB TYR 99 -10.298 14.231 1.608 564 HD1 TYR 99 HD1 TYR 99 -9.714 13.181 -0.552 565 HD2 TYR 99 HD2 TYR 99 -13.025 11.830 1.756 566 HE1 TYR 99 HE1 TYR 99 -10.594 11.989 -2.515 567 HE2 TYR 99 HE2 TYR 99 -13.911 10.637 -0.201 568 HH TYR 99 HH TYR 99 -12.082 10.143 -3.040 569 H MET 100 H MET 100 -7.913 10.854 2.489 570 HA MET 100 HA MET 100 -5.651 12.325 2.893 571 1HB MET 100 1HB MET 100 -5.789 9.849 2.655 572 2HB MET 100 2HB MET 100 -5.872 10.061 0.912 573 1HG MET 100 1HG MET 100 -3.629 9.487 1.586 574 2HG MET 100 2HG MET 100 -3.672 11.126 0.942 575 1HE MET 100 1HE MET 100 -3.397 8.903 4.160 576 2HE MET 100 2HE MET 100 -4.838 9.859 4.501 577 3HE MET 100 3HE MET 100 -3.365 10.118 5.439 578 H GLY 101 H GLY 101 -6.991 11.609 -0.352 579 1HA GLY 101 1HA GLY 101 -7.280 13.318 -1.991 580 2HA GLY 101 2HA GLY 101 -6.032 14.255 -1.189 581 H ILE 102 H ILE 102 -4.810 11.244 -1.277 582 HA ILE 102 HA ILE 102 -3.555 11.664 -3.915 583 HB ILE 102 HB ILE 102 -1.578 10.519 -3.096 584 1HG1 ILE 102 1HG1 ILE 102 -2.986 10.397 -0.417 585 2HG1 ILE 102 2HG1 ILE 102 -2.698 9.020 -1.476 586 1HG2 ILE 102 1HG2 ILE 102 -1.659 12.921 -2.818 587 2HG2 ILE 102 2HG2 ILE 102 -0.797 12.187 -1.466 588 3HG2 ILE 102 3HG2 ILE 102 -2.459 12.740 -1.256 589 1HD1 ILE 102 1HD1 ILE 102 -1.088 9.091 0.336 590 2HD1 ILE 102 2HD1 ILE 102 -0.580 10.704 -0.162 591 3HD1 ILE 102 3HD1 ILE 102 -0.296 9.324 -1.222 592 H ARG 103 H ARG 103 -3.460 9.975 -5.322 593 HA ARG 103 HA ARG 103 -5.342 7.872 -4.929 594 1HB ARG 103 1HB ARG 103 -4.382 8.979 -7.159 595 2HB ARG 103 2HB ARG 103 -3.239 7.652 -7.027 596 1HG ARG 103 1HG ARG 103 -4.960 6.029 -7.157 597 2HG ARG 103 2HG ARG 103 -6.217 7.251 -6.977 598 1HD ARG 103 1HD ARG 103 -6.180 6.676 -9.270 599 2HD ARG 103 2HD ARG 103 -5.389 8.246 -9.146 600 HE ARG 103 HE ARG 103 -3.329 6.485 -9.019 601 1HH1 ARG 103 1HH1 ARG 103 -5.923 7.054 -11.300 602 2HH1 ARG 103 2HH1 ARG 103 -5.042 6.404 -12.654 603 1HH2 ARG 103 1HH2 ARG 103 -2.167 5.617 -10.778 604 2HH2 ARG 103 2HH2 ARG 103 -2.905 5.561 -12.355 605 H THR 104 H THR 104 -5.019 5.976 -4.015 606 HA THR 104 HA THR 104 -2.284 5.041 -3.555 607 HB THR 104 HB THR 104 -3.291 4.319 -1.210 608 HG1 THR 104 HG1 THR 104 -4.657 6.770 -1.722 609 1HG2 THR 104 1HG2 THR 104 -1.288 5.681 -1.493 610 2HG2 THR 104 2HG2 THR 104 -2.304 6.341 -0.214 611 3HG2 THR 104 3HG2 THR 104 -2.280 7.103 -1.803 612 H SER 105 H SER 105 -2.040 2.843 -3.523 613 HA SER 105 HA SER 105 -4.358 1.113 -3.449 614 1HB SER 105 1HB SER 105 -2.587 1.183 -5.907 615 2HB SER 105 2HB SER 105 -3.919 0.065 -5.617 616 HG SER 105 HG SER 105 -4.883 2.495 -5.292 617 H ASN 106 H ASN 106 -3.751 -1.137 -3.333 618 HA ASN 106 HA ASN 106 -1.389 -1.519 -1.770 619 1HB ASN 106 1HB ASN 106 -2.143 -3.873 -1.626 620 2HB ASN 106 2HB ASN 106 -3.412 -2.732 -1.201 621 1HD2 ASN 106 1HD2 ASN 106 -3.776 -5.426 -1.977 622 2HD2 ASN 106 2HD2 ASN 106 -4.712 -5.428 -3.426 623 H HIS 107 H HIS 107 -2.001 -1.491 -5.048 624 HA HIS 107 HA HIS 107 -0.775 -1.975 -6.888 625 1HB HIS 107 1HB HIS 107 0.948 -0.734 -5.507 626 2HB HIS 107 2HB HIS 107 1.567 -2.298 -5.000 627 HD1 HIS 107 HD1 HIS 107 3.334 -0.302 -6.517 628 HD2 HIS 107 HD2 HIS 107 1.181 -3.361 -8.333 629 HE1 HIS 107 HE1 HIS 107 4.496 -0.746 -8.701 630 HE2 HIS 107 HE2 HIS 107 3.320 -2.761 -9.658 631 H LEU 108 H LEU 108 -2.056 -3.937 -6.980 632 HA LEU 108 HA LEU 108 -1.243 -6.383 -5.923 633 1HB LEU 108 1HB LEU 108 -2.982 -5.605 -8.215 634 2HB LEU 108 2HB LEU 108 -2.556 -7.293 -7.991 635 HG LEU 108 HG LEU 108 -3.815 -5.624 -5.836 636 1HD1 LEU 108 1HD1 LEU 108 -5.931 -6.709 -6.407 637 2HD1 LEU 108 2HD1 LEU 108 -5.156 -7.494 -7.785 638 3HD1 LEU 108 3HD1 LEU 108 -5.330 -5.739 -7.753 639 1HD2 LEU 108 1HD2 LEU 108 -2.608 -7.583 -5.053 640 2HD2 LEU 108 2HD2 LEU 108 -3.507 -8.599 -6.181 641 3HD2 LEU 108 3HD2 LEU 108 -4.349 -7.800 -4.854 642 H ARG 109 H ARG 109 -0.104 -8.033 -6.617 643 HA ARG 109 HA ARG 109 2.211 -7.488 -8.173 644 1HB ARG 109 1HB ARG 109 1.705 -9.219 -6.216 645 2HB ARG 109 2HB ARG 109 1.344 -10.285 -7.562 646 1HG ARG 109 1HG ARG 109 3.951 -8.840 -7.155 647 2HG ARG 109 2HG ARG 109 3.642 -10.519 -6.722 648 1HD ARG 109 1HD ARG 109 3.048 -10.904 -9.142 649 2HD ARG 109 2HD ARG 109 3.685 -9.292 -9.467 650 HE ARG 109 HE ARG 109 5.728 -10.430 -8.156 651 1HH1 ARG 109 1HH1 ARG 109 3.837 -11.398 -10.944 652 2HH1 ARG 109 2HH1 ARG 109 5.044 -12.493 -11.550 653 1HH2 ARG 109 1HH2 ARG 109 7.321 -11.872 -8.930 654 2HH2 ARG 109 2HH2 ARG 109 7.025 -12.773 -10.394 655 H VAL 110 H VAL 110 2.405 -7.566 -10.335 656 HA VAL 110 HA VAL 110 0.152 -8.177 -11.925 657 HB VAL 110 HB VAL 110 1.738 -6.498 -12.639 658 1HG1 VAL 110 1HG1 VAL 110 3.811 -7.456 -11.848 659 2HG1 VAL 110 2HG1 VAL 110 3.929 -7.121 -13.576 660 3HG1 VAL 110 3HG1 VAL 110 3.678 -8.773 -13.013 661 1HG2 VAL 110 1HG2 VAL 110 0.370 -7.545 -14.333 662 2HG2 VAL 110 2HG2 VAL 110 1.577 -8.811 -14.557 663 3HG2 VAL 110 3HG2 VAL 110 1.956 -7.144 -14.995 664 H ARG 111 H ARG 111 -0.515 -9.910 -12.810 665 HA ARG 111 HA ARG 111 1.209 -11.988 -13.781 666 1HB ARG 111 1HB ARG 111 -0.512 -12.425 -11.376 667 2HB ARG 111 2HB ARG 111 -0.420 -13.711 -12.571 668 1HG ARG 111 1HG ARG 111 2.146 -13.406 -12.320 669 2HG ARG 111 2HG ARG 111 1.719 -12.612 -10.802 670 1HD ARG 111 1HD ARG 111 2.180 -15.000 -10.475 671 2HD ARG 111 2HD ARG 111 0.507 -14.596 -10.083 672 HE ARG 111 HE ARG 111 0.457 -15.368 -12.719 673 1HH1 ARG 111 1HH1 ARG 111 1.585 -16.876 -9.764 674 2HH1 ARG 111 2HH1 ARG 111 1.123 -18.475 -10.267 675 1HH2 ARG 111 1HH2 ARG 111 -0.154 -17.481 -13.367 676 2HH2 ARG 111 2HH2 ARG 111 0.154 -18.823 -12.294 677 H ASP 112 H ASP 112 -0.342 -13.808 -14.713 678 HA ASP 112 HA ASP 112 -2.478 -12.317 -16.070 679 1HB ASP 112 1HB ASP 112 -0.799 -14.609 -17.081 680 2HB ASP 112 2HB ASP 112 -2.197 -13.961 -17.934 681 H SER 113 H SER 113 -3.896 -12.882 -14.296 682 HA SER 113 HA SER 113 -4.958 -15.588 -14.495 683 1HB SER 113 1HB SER 113 -6.658 -14.646 -12.800 684 2HB SER 113 2HB SER 113 -4.993 -14.826 -12.246 685 HG SER 113 HG SER 113 -6.164 -12.426 -13.225 686 H VAL 114 H VAL 114 -5.670 -15.602 -16.594 687 HA VAL 114 HA VAL 114 -6.937 -13.391 -17.811 688 HB VAL 114 HB VAL 114 -7.389 -14.934 -19.700 689 1HG1 VAL 114 1HG1 VAL 114 -4.579 -15.050 -18.598 690 2HG1 VAL 114 2HG1 VAL 114 -5.274 -13.732 -19.543 691 3HG1 VAL 114 3HG1 VAL 114 -5.046 -15.319 -20.278 692 1HG2 VAL 114 1HG2 VAL 114 -6.462 -17.213 -19.617 693 2HG2 VAL 114 2HG2 VAL 114 -7.788 -16.992 -18.473 694 3HG2 VAL 114 3HG2 VAL 114 -6.119 -17.001 -17.900 695 H ALA 115 H ALA 115 -8.989 -12.967 -18.328 696 HA ALA 115 HA ALA 115 -11.065 -14.755 -17.244 697 1HB ALA 115 1HB ALA 115 -12.496 -12.801 -16.962 698 2HB ALA 115 2HB ALA 115 -11.222 -11.760 -17.598 699 3HB ALA 115 3HB ALA 115 -10.990 -12.603 -16.065 700 H SER 116 H SER 116 -11.148 -15.941 -19.148 701 HA SER 116 HA SER 116 -11.420 -14.693 -21.704 702 1HB SER 116 1HB SER 116 -12.022 -17.570 -20.990 703 2HB SER 116 2HB SER 116 -11.589 -16.925 -22.573 704 HG SER 116 HG SER 116 -9.972 -17.301 -20.289 705 H VAL 117 H VAL 117 -13.255 -14.649 -23.051 706 HA VAL 117 HA VAL 117 -15.749 -14.277 -21.735 707 HB VAL 117 HB VAL 117 -16.693 -14.107 -24.063 708 1HG1 VAL 117 1HG1 VAL 117 -14.272 -12.412 -23.457 709 2HG1 VAL 117 2HG1 VAL 117 -15.905 -12.148 -22.842 710 3HG1 VAL 117 3HG1 VAL 117 -15.575 -11.992 -24.569 711 1HG2 VAL 117 1HG2 VAL 117 -15.119 -15.594 -25.202 712 2HG2 VAL 117 2HG2 VAL 117 -13.805 -14.468 -24.871 713 3HG2 VAL 117 3HG2 VAL 117 -15.124 -13.995 -25.942 714 H LEU 118 H LEU 118 -17.288 -15.692 -21.285 715 HA LEU 118 HA LEU 118 -16.822 -18.478 -21.973 716 1HB LEU 118 1HB LEU 118 -18.956 -17.229 -20.239 717 2HB LEU 118 2HB LEU 118 -18.639 -18.945 -20.391 718 HG LEU 118 HG LEU 118 -16.752 -16.904 -19.215 719 1HD1 LEU 118 1HD1 LEU 118 -18.619 -17.303 -17.749 720 2HD1 LEU 118 2HD1 LEU 118 -17.192 -18.117 -17.107 721 3HD1 LEU 118 3HD1 LEU 118 -18.439 -19.049 -17.937 722 1HD2 LEU 118 1HD2 LEU 118 -16.485 -19.900 -19.443 723 2HD2 LEU 118 2HD2 LEU 118 -15.388 -18.829 -18.575 724 3HD2 LEU 118 3HD2 LEU 118 -15.537 -18.704 -20.326 725 H GLY 119 H GLY 119 -19.265 -15.990 -22.429 726 1HA GLY 119 1HA GLY 119 -20.192 -16.269 -24.842 727 2HA GLY 119 2HA GLY 119 -20.791 -17.786 -24.175 728 H ASP 120 H ASP 120 -22.254 -15.418 -25.192 729 HA ASP 120 HA ASP 120 -23.688 -14.722 -22.715 730 1HB ASP 120 1HB ASP 120 -22.396 -12.832 -23.860 731 2HB ASP 120 2HB ASP 120 -23.583 -12.955 -25.155 732 H THR 121 H THR 121 -25.637 -15.569 -22.652 733 HA THR 121 HA THR 121 -26.812 -16.657 -25.057 734 HB THR 121 HB THR 121 -26.895 -17.981 -23.008 735 HG1 THR 121 HG1 THR 121 -28.572 -18.630 -24.129 736 1HG2 THR 121 1HG2 THR 121 -28.376 -17.351 -21.147 737 2HG2 THR 121 2HG2 THR 121 -28.635 -15.780 -21.900 738 3HG2 THR 121 3HG2 THR 121 -27.028 -16.229 -21.334 739 H LEU 122 H LEU 122 -28.079 -15.556 -26.344 740 HA LEU 122 HA LEU 122 -29.486 -13.207 -25.272 741 1HB LEU 122 1HB LEU 122 -28.614 -13.871 -28.081 742 2HB LEU 122 2HB LEU 122 -29.653 -12.517 -27.685 743 HG LEU 122 HG LEU 122 -26.824 -12.884 -26.691 744 1HD1 LEU 122 1HD1 LEU 122 -27.945 -11.024 -28.784 745 2HD1 LEU 122 2HD1 LEU 122 -26.892 -12.409 -29.076 746 3HD1 LEU 122 3HD1 LEU 122 -26.291 -11.017 -28.175 747 1HD2 LEU 122 1HD2 LEU 122 -27.059 -10.584 -25.882 748 2HD2 LEU 122 2HD2 LEU 122 -28.213 -11.663 -25.103 749 3HD2 LEU 122 3HD2 LEU 122 -28.748 -10.579 -26.386 750 HA PRO 123 HA PRO 123 -33.132 -15.792 -25.988 751 1HB PRO 123 1HB PRO 123 -34.803 -14.216 -24.536 752 2HB PRO 123 2HB PRO 123 -33.740 -15.421 -23.798 753 1HG PRO 123 1HG PRO 123 -33.369 -12.463 -24.053 754 2HG PRO 123 2HG PRO 123 -33.032 -13.518 -22.667 755 1HD PRO 123 1HD PRO 123 -31.100 -12.631 -24.363 756 2HD PRO 123 2HD PRO 123 -31.008 -14.195 -23.527 757 H PHE 124 H PHE 124 -34.951 -15.482 -27.282 758 HA PHE 124 HA PHE 124 -35.122 -12.872 -28.634 759 1HB PHE 124 1HB PHE 124 -33.975 -14.594 -30.033 760 2HB PHE 124 2HB PHE 124 -35.426 -15.586 -29.944 761 HD1 PHE 124 HD1 PHE 124 -34.558 -12.046 -30.773 762 HD2 PHE 124 HD2 PHE 124 -36.759 -15.541 -31.798 763 HE1 PHE 124 HE1 PHE 124 -35.437 -10.904 -32.766 764 HE2 PHE 124 HE2 PHE 124 -37.642 -14.403 -33.791 765 HZ PHE 124 HZ PHE 124 -36.982 -12.081 -34.279 766 H ALA 125 H ALA 125 -37.044 -11.997 -28.334 767 HA ALA 125 HA ALA 125 -39.209 -13.636 -27.297 768 1HB ALA 125 1HB ALA 125 -39.015 -10.645 -27.618 769 2HB ALA 125 2HB ALA 125 -38.643 -11.554 -26.154 770 3HB ALA 125 3HB ALA 125 -40.294 -11.519 -26.773 Start of MODEL 2 1 H GLN 23 H GLN 23 -4.797 -11.666 -1.597 2 HA GLN 23 HA GLN 23 -4.584 -10.418 0.270 3 1HB GLN 23 1HB GLN 23 -2.541 -12.500 0.985 4 2HB GLN 23 2HB GLN 23 -2.762 -11.065 1.977 5 1HG GLN 23 1HG GLN 23 -5.150 -11.658 2.223 6 2HG GLN 23 2HG GLN 23 -4.835 -13.148 1.335 7 1HE2 GLN 23 1HE2 GLN 23 -5.756 -12.657 4.101 8 2HE2 GLN 23 2HE2 GLN 23 -4.643 -13.503 5.122 9 HA PRO 24 HA PRO 24 -1.586 -7.409 -1.192 10 1HB PRO 24 1HB PRO 24 -2.687 -5.954 1.140 11 2HB PRO 24 2HB PRO 24 -2.564 -5.444 -0.547 12 1HG PRO 24 1HG PRO 24 -4.918 -6.112 0.507 13 2HG PRO 24 2HG PRO 24 -4.503 -6.560 -1.161 14 1HD PRO 24 1HD PRO 24 -4.490 -8.243 1.317 15 2HD PRO 24 2HD PRO 24 -5.041 -8.654 -0.320 16 H ASP 25 H ASP 25 -0.257 -5.744 0.384 17 HA ASP 25 HA ASP 25 1.058 -7.300 2.463 18 1HB ASP 25 1HB ASP 25 1.988 -8.049 0.223 19 2HB ASP 25 2HB ASP 25 2.658 -6.432 0.053 20 H GLY 26 H GLY 26 -0.023 -4.420 1.430 21 1HA GLY 26 1HA GLY 26 0.708 -2.650 3.187 22 2HA GLY 26 2HA GLY 26 2.233 -2.801 2.320 23 H VAL 27 H VAL 27 0.022 -0.655 2.598 24 HA VAL 27 HA VAL 27 -0.870 -0.369 -0.129 25 HB VAL 27 HB VAL 27 -1.879 1.772 0.617 26 1HG1 VAL 27 1HG1 VAL 27 -3.140 -0.309 0.764 27 2HG1 VAL 27 2HG1 VAL 27 -3.563 0.782 2.082 28 3HG1 VAL 27 3HG1 VAL 27 -2.501 -0.595 2.382 29 1HG2 VAL 27 1HG2 VAL 27 -1.891 2.312 3.017 30 2HG2 VAL 27 2HG2 VAL 27 -0.276 2.416 2.316 31 3HG2 VAL 27 3HG2 VAL 27 -0.719 1.021 3.300 32 H GLN 28 H GLN 28 -0.219 1.110 -1.608 33 HA GLN 28 HA GLN 28 2.311 2.489 -0.993 34 1HB GLN 28 1HB GLN 28 2.802 0.758 -2.547 35 2HB GLN 28 2HB GLN 28 1.392 1.136 -3.525 36 1HG GLN 28 1HG GLN 28 2.383 3.172 -4.290 37 2HG GLN 28 2HG GLN 28 3.730 2.995 -3.171 38 1HE2 GLN 28 1HE2 GLN 28 4.045 0.168 -3.639 39 2HE2 GLN 28 2HE2 GLN 28 4.761 0.017 -5.195 40 H ILE 29 H ILE 29 2.689 4.488 -2.069 41 HA ILE 29 HA ILE 29 0.279 6.089 -2.304 42 HB ILE 29 HB ILE 29 3.159 6.923 -2.741 43 1HG1 ILE 29 1HG1 ILE 29 2.815 6.081 -0.458 44 2HG1 ILE 29 2HG1 ILE 29 3.079 7.824 -0.460 45 1HG2 ILE 29 1HG2 ILE 29 2.337 9.195 -2.407 46 2HG2 ILE 29 2HG2 ILE 29 0.694 8.581 -2.236 47 3HG2 ILE 29 3HG2 ILE 29 1.537 8.425 -3.777 48 1HD1 ILE 29 1HD1 ILE 29 0.698 8.195 -0.185 49 2HD1 ILE 29 2HD1 ILE 29 1.323 7.152 1.090 50 3HD1 ILE 29 3HD1 ILE 29 0.405 6.457 -0.246 51 H ASP 30 H ASP 30 -0.809 6.008 -4.128 52 HA ASP 30 HA ASP 30 0.320 5.228 -6.627 53 1HB ASP 30 1HB ASP 30 -2.060 4.862 -6.010 54 2HB ASP 30 2HB ASP 30 -2.322 6.594 -6.084 55 H SER 31 H SER 31 -1.223 8.276 -5.611 56 HA SER 31 HA SER 31 0.839 9.782 -7.000 57 1HB SER 31 1HB SER 31 -2.082 10.133 -7.730 58 2HB SER 31 2HB SER 31 -0.716 11.013 -8.406 59 HG SER 31 HG SER 31 -1.248 8.227 -8.674 60 H VAL 32 H VAL 32 0.997 11.903 -6.308 61 HA VAL 32 HA VAL 32 -0.836 12.737 -4.151 62 HB VAL 32 HB VAL 32 2.055 13.535 -4.596 63 1HG1 VAL 32 1HG1 VAL 32 0.748 15.413 -3.750 64 2HG1 VAL 32 2HG1 VAL 32 1.845 14.802 -2.511 65 3HG1 VAL 32 3HG1 VAL 32 0.128 14.404 -2.444 66 1HG2 VAL 32 1HG2 VAL 32 1.880 11.318 -3.646 67 2HG2 VAL 32 2HG2 VAL 32 0.746 11.900 -2.427 68 3HG2 VAL 32 3HG2 VAL 32 2.421 12.451 -2.404 69 H VAL 33 H VAL 33 -2.214 14.250 -4.841 70 HA VAL 33 HA VAL 33 -1.836 15.516 -7.373 71 HB VAL 33 HB VAL 33 -4.016 16.394 -7.122 72 1HG1 VAL 33 1HG1 VAL 33 -3.939 14.005 -7.506 73 2HG1 VAL 33 2HG1 VAL 33 -5.345 14.431 -6.529 74 3HG1 VAL 33 3HG1 VAL 33 -3.925 13.710 -5.767 75 1HG2 VAL 33 1HG2 VAL 33 -3.784 17.343 -4.879 76 2HG2 VAL 33 2HG2 VAL 33 -3.887 15.725 -4.185 77 3HG2 VAL 33 3HG2 VAL 33 -5.273 16.413 -5.033 78 HA PRO 34 HA PRO 34 -0.205 19.448 -5.991 79 1HB PRO 34 1HB PRO 34 -1.284 21.078 -7.891 80 2HB PRO 34 2HB PRO 34 0.109 20.034 -8.190 81 1HG PRO 34 1HG PRO 34 -2.765 19.601 -8.891 82 2HG PRO 34 2HG PRO 34 -1.312 19.247 -9.843 83 1HD PRO 34 1HD PRO 34 -2.672 17.336 -8.479 84 2HD PRO 34 2HD PRO 34 -0.920 17.266 -8.752 85 H GLY 35 H GLY 35 -1.007 20.384 -4.216 86 1HA GLY 35 1HA GLY 35 -2.506 21.800 -3.047 87 2HA GLY 35 2HA GLY 35 -3.739 21.449 -4.257 88 H SER 36 H SER 36 -4.757 21.240 -1.897 89 HA SER 36 HA SER 36 -5.899 19.839 -0.519 90 1HB SER 36 1HB SER 36 -4.809 17.622 -2.237 91 2HB SER 36 2HB SER 36 -6.128 17.469 -1.086 92 HG SER 36 HG SER 36 -6.224 19.352 -3.181 93 HA PRO 37 HA PRO 37 -3.126 18.553 2.675 94 1HB PRO 37 1HB PRO 37 -4.193 16.228 3.649 95 2HB PRO 37 2HB PRO 37 -4.830 17.834 4.012 96 1HG PRO 37 1HG PRO 37 -5.774 15.833 1.999 97 2HG PRO 37 2HG PRO 37 -6.723 16.852 3.096 98 1HD PRO 37 1HD PRO 37 -6.420 17.468 0.498 99 2HD PRO 37 2HD PRO 37 -6.503 18.722 1.755 100 H ALA 38 H ALA 38 -1.403 17.207 3.198 101 HA ALA 38 HA ALA 38 0.153 15.552 3.067 102 1HB ALA 38 1HB ALA 38 -1.661 13.925 2.856 103 2HB ALA 38 2HB ALA 38 -0.265 13.480 1.872 104 3HB ALA 38 3HB ALA 38 -1.691 14.187 1.112 105 H SER 39 H SER 39 -0.895 17.422 0.511 106 HA SER 39 HA SER 39 0.682 16.507 -1.626 107 1HB SER 39 1HB SER 39 -1.293 18.067 -1.757 108 2HB SER 39 2HB SER 39 -0.242 19.344 -1.146 109 HG SER 39 HG SER 39 -0.304 18.099 -3.639 110 H LYS 40 H LYS 40 1.422 18.551 1.101 111 HA LYS 40 HA LYS 40 3.978 19.326 -0.126 112 1HB LYS 40 1HB LYS 40 2.048 20.726 1.424 113 2HB LYS 40 2HB LYS 40 3.524 20.632 2.374 114 1HG LYS 40 1HG LYS 40 3.479 21.593 -0.474 115 2HG LYS 40 2HG LYS 40 3.270 22.666 0.911 116 1HD LYS 40 1HD LYS 40 5.656 20.870 0.465 117 2HD LYS 40 2HD LYS 40 5.604 22.590 0.072 118 1HE LYS 40 1HE LYS 40 5.177 23.117 2.420 119 2HE LYS 40 2HE LYS 40 5.218 21.402 2.818 120 1HZ LYS 40 1HZ LYS 40 7.309 22.562 3.310 121 2HZ LYS 40 2HZ LYS 40 7.503 22.910 1.660 122 3HZ LYS 40 3HZ LYS 40 7.516 21.301 2.198 123 H VAL 41 H VAL 41 3.150 16.730 1.327 124 HA VAL 41 HA VAL 41 5.372 16.764 3.260 125 HB VAL 41 HB VAL 41 2.833 15.151 3.589 126 1HG1 VAL 41 1HG1 VAL 41 3.698 14.713 5.834 127 2HG1 VAL 41 2HG1 VAL 41 5.163 15.616 5.447 128 3HG1 VAL 41 3HG1 VAL 41 4.796 14.119 4.589 129 1HG2 VAL 41 1HG2 VAL 41 2.346 17.517 3.868 130 2HG2 VAL 41 2HG2 VAL 41 3.691 17.681 4.999 131 3HG2 VAL 41 3HG2 VAL 41 2.296 16.690 5.426 132 H LEU 42 H LEU 42 3.331 14.587 1.283 133 HA LEU 42 HA LEU 42 5.469 12.598 1.436 134 1HB LEU 42 1HB LEU 42 2.567 12.396 0.676 135 2HB LEU 42 2HB LEU 42 3.701 11.099 0.353 136 HG LEU 42 HG LEU 42 4.210 11.136 2.858 137 1HD1 LEU 42 1HD1 LEU 42 2.485 12.012 4.306 138 2HD1 LEU 42 2HD1 LEU 42 1.606 12.640 2.912 139 3HD1 LEU 42 3HD1 LEU 42 3.184 13.306 3.333 140 1HD2 LEU 42 1HD2 LEU 42 2.945 9.358 1.781 141 2HD2 LEU 42 2HD2 LEU 42 1.468 10.315 1.911 142 3HD2 LEU 42 3HD2 LEU 42 2.274 9.733 3.368 143 H THR 43 H THR 43 5.468 11.136 -0.613 144 HA THR 43 HA THR 43 5.526 12.772 -3.047 145 HB THR 43 HB THR 43 7.754 10.906 -2.188 146 HG1 THR 43 HG1 THR 43 7.253 13.482 -1.532 147 1HG2 THR 43 1HG2 THR 43 7.499 11.105 -4.622 148 2HG2 THR 43 2HG2 THR 43 8.986 11.875 -4.068 149 3HG2 THR 43 3HG2 THR 43 7.586 12.861 -4.486 150 HA PRO 44 HA PRO 44 3.292 9.238 -4.565 151 1HB PRO 44 1HB PRO 44 3.791 9.610 -7.247 152 2HB PRO 44 2HB PRO 44 2.523 10.432 -6.335 153 1HG PRO 44 1HG PRO 44 5.230 11.409 -7.125 154 2HG PRO 44 2HG PRO 44 3.691 12.286 -7.080 155 1HD PRO 44 1HD PRO 44 5.563 12.577 -5.163 156 2HD PRO 44 2HD PRO 44 3.824 12.664 -4.809 157 H GLY 45 H GLY 45 3.751 7.170 -5.001 158 1HA GLY 45 1HA GLY 45 5.003 5.474 -6.150 159 2HA GLY 45 2HA GLY 45 6.396 6.539 -6.128 160 H LEU 46 H LEU 46 5.436 6.967 -3.116 161 HA LEU 46 HA LEU 46 7.392 5.098 -2.120 162 1HB LEU 46 1HB LEU 46 5.621 6.982 -0.561 163 2HB LEU 46 2HB LEU 46 7.060 6.177 0.031 164 HG LEU 46 HG LEU 46 6.944 8.350 -2.059 165 1HD1 LEU 46 1HD1 LEU 46 6.628 9.107 0.249 166 2HD1 LEU 46 2HD1 LEU 46 8.166 9.658 -0.417 167 3HD1 LEU 46 3HD1 LEU 46 8.128 8.303 0.713 168 1HD2 LEU 46 1HD2 LEU 46 9.317 6.834 -0.986 169 2HD2 LEU 46 2HD2 LEU 46 9.387 8.241 -2.049 170 3HD2 LEU 46 3HD2 LEU 46 8.668 6.734 -2.622 171 H VAL 47 H VAL 47 6.956 3.721 -0.210 172 HA VAL 47 HA VAL 47 4.262 2.520 -0.363 173 HB VAL 47 HB VAL 47 6.808 1.216 0.620 174 1HG1 VAL 47 1HG1 VAL 47 4.074 0.081 0.062 175 2HG1 VAL 47 2HG1 VAL 47 4.861 0.229 1.633 176 3HG1 VAL 47 3HG1 VAL 47 5.511 -0.876 0.422 177 1HG2 VAL 47 1HG2 VAL 47 6.957 1.675 -1.766 178 2HG2 VAL 47 2HG2 VAL 47 5.403 0.887 -2.031 179 3HG2 VAL 47 3HG2 VAL 47 6.785 -0.056 -1.475 180 H ILE 48 H ILE 48 3.065 2.278 1.483 181 HA ILE 48 HA ILE 48 4.026 3.714 3.847 182 HB ILE 48 HB ILE 48 1.271 2.625 3.267 183 1HG1 ILE 48 1HG1 ILE 48 2.313 5.453 3.043 184 2HG1 ILE 48 2HG1 ILE 48 1.961 4.396 1.681 185 1HG2 ILE 48 1HG2 ILE 48 2.226 4.533 5.401 186 2HG2 ILE 48 2HG2 ILE 48 1.719 2.864 5.653 187 3HG2 ILE 48 3HG2 ILE 48 0.550 4.065 5.109 188 1HD1 ILE 48 1HD1 ILE 48 -0.031 5.407 3.693 189 2HD1 ILE 48 2HD1 ILE 48 -0.388 4.337 2.337 190 3HD1 ILE 48 3HD1 ILE 48 0.170 5.985 2.037 191 H GLU 49 H GLU 49 4.764 2.727 5.552 192 HA GLU 49 HA GLU 49 4.689 -0.125 5.877 193 1HB GLU 49 1HB GLU 49 6.621 1.245 6.568 194 2HB GLU 49 2HB GLU 49 5.614 2.078 7.728 195 1HG GLU 49 1HG GLU 49 6.968 0.463 8.864 196 2HG GLU 49 2HG GLU 49 5.279 -0.035 8.936 197 H SER 50 H SER 50 3.438 2.667 7.662 198 HA SER 50 HA SER 50 1.076 1.258 8.457 199 1HB SER 50 1HB SER 50 1.640 1.568 10.963 200 2HB SER 50 2HB SER 50 2.354 0.199 10.113 201 HG SER 50 HG SER 50 4.064 1.061 11.084 202 H ILE 51 H ILE 51 -0.417 2.548 9.620 203 HA ILE 51 HA ILE 51 0.231 5.427 9.686 204 HB ILE 51 HB ILE 51 -2.444 4.198 8.974 205 1HG1 ILE 51 1HG1 ILE 51 -0.479 5.771 7.288 206 2HG1 ILE 51 2HG1 ILE 51 -0.846 4.057 7.123 207 1HG2 ILE 51 1HG2 ILE 51 -2.681 6.245 10.289 208 2HG2 ILE 51 2HG2 ILE 51 -3.200 6.496 8.622 209 3HG2 ILE 51 3HG2 ILE 51 -1.632 7.099 9.158 210 1HD1 ILE 51 1HD1 ILE 51 -2.773 6.323 6.675 211 2HD1 ILE 51 2HD1 ILE 51 -3.140 4.605 6.507 212 3HD1 ILE 51 3HD1 ILE 51 -1.975 5.367 5.425 213 H ASN 52 H ASN 52 0.446 5.906 11.778 214 HA ASN 52 HA ASN 52 0.099 5.993 14.028 215 1HB ASN 52 1HB ASN 52 -2.185 6.779 13.174 216 2HB ASN 52 2HB ASN 52 -2.746 5.140 13.467 217 1HD2 ASN 52 1HD2 ASN 52 -1.608 8.089 14.948 218 2HD2 ASN 52 2HD2 ASN 52 -2.173 7.726 16.547 219 H GLY 53 H GLY 53 -1.781 4.185 15.513 220 1HA GLY 53 1HA GLY 53 -0.005 1.950 15.725 221 2HA GLY 53 2HA GLY 53 -1.507 2.172 16.605 222 H MET 54 H MET 54 -2.011 2.486 13.284 223 HA MET 54 HA MET 54 -2.845 -0.330 13.088 224 1HB MET 54 1HB MET 54 -4.019 2.070 11.671 225 2HB MET 54 2HB MET 54 -4.549 0.407 11.466 226 1HG MET 54 1HG MET 54 -6.119 1.330 12.894 227 2HG MET 54 2HG MET 54 -5.043 0.446 13.971 228 1HE MET 54 1HE MET 54 -4.885 5.025 13.408 229 2HE MET 54 2HE MET 54 -6.080 3.999 12.612 230 3HE MET 54 3HE MET 54 -4.375 3.864 12.182 231 HA PRO 55 HA PRO 55 0.311 -0.124 9.851 232 1HB PRO 55 1HB PRO 55 0.685 -2.784 9.658 233 2HB PRO 55 2HB PRO 55 1.427 -1.816 10.932 234 1HG PRO 55 1HG PRO 55 -0.998 -3.556 11.048 235 2HG PRO 55 2HG PRO 55 0.296 -3.359 12.244 236 1HD PRO 55 1HD PRO 55 -2.140 -2.129 12.440 237 2HD PRO 55 2HD PRO 55 -0.646 -1.468 13.134 238 H THR 56 H THR 56 -0.117 -0.022 7.730 239 HA THR 56 HA THR 56 -2.617 -1.224 6.813 240 HB THR 56 HB THR 56 -2.233 0.295 4.808 241 HG1 THR 56 HG1 THR 56 -0.060 0.796 5.105 242 1HG2 THR 56 1HG2 THR 56 -3.064 2.278 6.008 243 2HG2 THR 56 2HG2 THR 56 -2.596 1.540 7.541 244 3HG2 THR 56 3HG2 THR 56 -3.862 0.806 6.556 245 H SER 57 H SER 57 -1.508 -3.324 6.764 246 HA SER 57 HA SER 57 0.271 -3.763 4.510 247 1HB SER 57 1HB SER 57 0.601 -4.996 6.640 248 2HB SER 57 2HB SER 57 -0.978 -5.750 6.427 249 HG SER 57 HG SER 57 1.144 -5.952 4.553 250 H ASN 58 H ASN 58 -3.014 -3.510 5.049 251 HA ASN 58 HA ASN 58 -3.606 -5.042 2.602 252 1HB ASN 58 1HB ASN 58 -4.317 -6.102 4.859 253 2HB ASN 58 2HB ASN 58 -5.510 -4.816 4.943 254 1HD2 ASN 58 1HD2 ASN 58 -4.553 -7.741 3.448 255 2HD2 ASN 58 2HD2 ASN 58 -6.036 -8.033 2.582 256 H LEU 59 H LEU 59 -5.997 -4.344 1.933 257 HA LEU 59 HA LEU 59 -5.983 -1.434 1.820 258 1HB LEU 59 1HB LEU 59 -6.961 -3.576 0.131 259 2HB LEU 59 2HB LEU 59 -8.191 -2.362 0.395 260 HG LEU 59 HG LEU 59 -5.439 -1.910 -0.758 261 1HD1 LEU 59 1HD1 LEU 59 -6.628 -1.309 -2.788 262 2HD1 LEU 59 2HD1 LEU 59 -8.175 -1.638 -2.003 263 3HD1 LEU 59 3HD1 LEU 59 -7.034 -2.954 -2.295 264 1HD2 LEU 59 1HD2 LEU 59 -7.634 0.093 -0.230 265 2HD2 LEU 59 2HD2 LEU 59 -6.104 0.418 -1.047 266 3HD2 LEU 59 3HD2 LEU 59 -6.117 -0.030 0.659 267 H THR 60 H THR 60 -7.882 -4.112 3.054 268 HA THR 60 HA THR 60 -10.112 -2.645 3.945 269 HB THR 60 HB THR 60 -8.937 -5.129 5.218 270 HG1 THR 60 HG1 THR 60 -9.930 -6.282 3.674 271 1HG2 THR 60 1HG2 THR 60 -10.676 -4.026 6.558 272 2HG2 THR 60 2HG2 THR 60 -11.228 -5.578 5.929 273 3HG2 THR 60 3HG2 THR 60 -11.768 -4.079 5.175 274 H THR 61 H THR 61 -6.980 -3.364 5.435 275 HA THR 61 HA THR 61 -7.523 -2.252 7.965 276 HB THR 61 HB THR 61 -4.997 -1.996 8.105 277 HG1 THR 61 HG1 THR 61 -4.493 -1.787 5.922 278 1HG2 THR 61 1HG2 THR 61 -6.142 -3.993 8.921 279 2HG2 THR 61 2HG2 THR 61 -4.598 -4.417 8.184 280 3HG2 THR 61 3HG2 THR 61 -6.099 -4.690 7.301 281 H TYR 62 H TYR 62 -6.339 -0.870 4.956 282 HA TYR 62 HA TYR 62 -5.752 1.713 5.940 283 1HB TYR 62 1HB TYR 62 -4.886 0.943 3.795 284 2HB TYR 62 2HB TYR 62 -6.519 0.769 3.166 285 HD1 TYR 62 HD1 TYR 62 -4.132 3.329 4.456 286 HD2 TYR 62 HD2 TYR 62 -7.525 2.523 2.019 287 HE1 TYR 62 HE1 TYR 62 -4.047 5.628 3.588 288 HE2 TYR 62 HE2 TYR 62 -7.452 4.821 1.147 289 HH TYR 62 HH TYR 62 -6.592 7.009 1.788 290 H SER 63 H SER 63 -8.626 0.275 4.485 291 HA SER 63 HA SER 63 -10.208 2.601 4.462 292 1HB SER 63 1HB SER 63 -10.629 0.403 3.226 293 2HB SER 63 2HB SER 63 -11.234 -0.225 4.756 294 HG SER 63 HG SER 63 -12.359 1.651 3.032 295 H ALA 64 H ALA 64 -9.929 -0.052 6.805 296 HA ALA 64 HA ALA 64 -11.927 0.902 8.551 297 1HB ALA 64 1HB ALA 64 -11.118 -1.424 8.511 298 2HB ALA 64 2HB ALA 64 -11.092 -0.723 10.128 299 3HB ALA 64 3HB ALA 64 -9.592 -0.883 9.214 300 H ALA 65 H ALA 65 -8.522 1.603 8.259 301 HA ALA 65 HA ALA 65 -8.289 2.880 10.810 302 1HB ALA 65 1HB ALA 65 -6.524 3.158 8.378 303 2HB ALA 65 2HB ALA 65 -6.350 1.927 9.629 304 3HB ALA 65 3HB ALA 65 -6.118 3.631 10.027 305 H LEU 66 H LEU 66 -8.760 3.972 7.482 306 HA LEU 66 HA LEU 66 -8.572 6.729 7.932 307 1HB LEU 66 1HB LEU 66 -8.818 5.202 5.747 308 2HB LEU 66 2HB LEU 66 -10.485 5.710 5.894 309 HG LEU 66 HG LEU 66 -8.160 7.624 5.710 310 1HD1 LEU 66 1HD1 LEU 66 -10.074 6.711 3.569 311 2HD1 LEU 66 2HD1 LEU 66 -8.355 6.322 3.662 312 3HD1 LEU 66 3HD1 LEU 66 -8.871 7.990 3.402 313 1HD2 LEU 66 1HD2 LEU 66 -9.896 9.277 5.209 314 2HD2 LEU 66 2HD2 LEU 66 -10.126 8.561 6.805 315 3HD2 LEU 66 3HD2 LEU 66 -11.135 8.047 5.452 316 H LYS 67 H LYS 67 -11.324 4.534 7.996 317 HA LYS 67 HA LYS 67 -13.329 6.463 8.362 318 1HB LYS 67 1HB LYS 67 -13.227 3.537 9.071 319 2HB LYS 67 2HB LYS 67 -14.678 4.518 9.234 320 1HG LYS 67 1HG LYS 67 -14.713 4.954 6.872 321 2HG LYS 67 2HG LYS 67 -13.168 4.132 6.662 322 1HD LYS 67 1HD LYS 67 -15.041 2.718 5.969 323 2HD LYS 67 2HD LYS 67 -14.183 2.024 7.344 324 1HE LYS 67 1HE LYS 67 -15.895 2.699 8.856 325 2HE LYS 67 2HE LYS 67 -16.679 3.683 7.621 326 1HZ LYS 67 1HZ LYS 67 -17.333 1.754 6.442 327 2HZ LYS 67 2HZ LYS 67 -17.751 1.485 8.062 328 3HZ LYS 67 3HZ LYS 67 -16.378 0.740 7.406 329 H THR 68 H THR 68 -11.054 5.150 10.622 330 HA THR 68 HA THR 68 -12.636 6.056 12.893 331 HB THR 68 HB THR 68 -10.753 5.186 14.284 332 HG1 THR 68 HG1 THR 68 -9.539 5.029 11.867 333 1HG2 THR 68 1HG2 THR 68 -11.277 2.821 13.904 334 2HG2 THR 68 2HG2 THR 68 -11.989 3.232 12.343 335 3HG2 THR 68 3HG2 THR 68 -12.727 3.822 13.832 336 H ILE 69 H ILE 69 -10.321 7.334 10.790 337 HA ILE 69 HA ILE 69 -9.009 9.051 12.706 338 HB ILE 69 HB ILE 69 -9.019 9.295 9.690 339 1HG1 ILE 69 1HG1 ILE 69 -8.162 7.106 10.318 340 2HG1 ILE 69 2HG1 ILE 69 -6.835 8.132 9.785 341 1HG2 ILE 69 1HG2 ILE 69 -7.138 10.415 11.767 342 2HG2 ILE 69 2HG2 ILE 69 -8.315 11.329 10.824 343 3HG2 ILE 69 3HG2 ILE 69 -6.946 10.563 10.019 344 1HD1 ILE 69 1HD1 ILE 69 -6.188 6.826 11.714 345 2HD1 ILE 69 2HD1 ILE 69 -7.543 7.478 12.638 346 3HD1 ILE 69 3HD1 ILE 69 -6.231 8.541 12.124 347 H SER 70 H SER 70 -9.438 11.179 13.127 348 HA SER 70 HA SER 70 -12.116 12.072 12.448 349 1HB SER 70 1HB SER 70 -10.094 13.444 14.229 350 2HB SER 70 2HB SER 70 -11.848 13.646 14.229 351 HG SER 70 HG SER 70 -11.726 11.198 14.685 352 H VAL 71 H VAL 71 -12.441 14.400 11.902 353 HA VAL 71 HA VAL 71 -10.873 15.181 9.643 354 HB VAL 71 HB VAL 71 -12.995 16.716 11.160 355 1HG1 VAL 71 1HG1 VAL 71 -11.829 17.212 8.422 356 2HG1 VAL 71 2HG1 VAL 71 -11.576 18.209 9.855 357 3HG1 VAL 71 3HG1 VAL 71 -13.182 18.090 9.137 358 1HG2 VAL 71 1HG2 VAL 71 -13.860 14.635 10.227 359 2HG2 VAL 71 2HG2 VAL 71 -13.200 15.059 8.648 360 3HG2 VAL 71 3HG2 VAL 71 -14.497 16.026 9.347 361 H GLY 72 H GLY 72 -9.202 16.600 9.520 362 1HA GLY 72 1HA GLY 72 -7.675 18.215 10.134 363 2HA GLY 72 2HA GLY 72 -8.767 18.676 11.432 364 H GLU 73 H GLU 73 -7.611 15.426 11.053 365 HA GLU 73 HA GLU 73 -6.293 15.656 13.659 366 1HB GLU 73 1HB GLU 73 -8.086 13.952 13.366 367 2HB GLU 73 2HB GLU 73 -7.090 13.188 12.141 368 1HG GLU 73 1HG GLU 73 -6.972 12.059 14.318 369 2HG GLU 73 2HG GLU 73 -5.406 12.645 13.756 370 H VAL 74 H VAL 74 -4.236 14.690 13.986 371 HA VAL 74 HA VAL 74 -2.621 14.672 11.522 372 HB VAL 74 HB VAL 74 -1.703 15.211 14.358 373 1HG1 VAL 74 1HG1 VAL 74 -0.193 15.359 11.750 374 2HG1 VAL 74 2HG1 VAL 74 0.051 14.179 13.037 375 3HG1 VAL 74 3HG1 VAL 74 0.424 15.880 13.320 376 1HG2 VAL 74 1HG2 VAL 74 -1.364 17.517 13.592 377 2HG2 VAL 74 2HG2 VAL 74 -3.058 17.033 13.529 378 3HG2 VAL 74 3HG2 VAL 74 -2.103 17.102 12.046 379 H ILE 75 H ILE 75 -2.144 12.701 10.882 380 HA ILE 75 HA ILE 75 -1.826 10.592 12.902 381 HB ILE 75 HB ILE 75 -2.277 9.014 10.974 382 1HG1 ILE 75 1HG1 ILE 75 -3.276 11.564 9.677 383 2HG1 ILE 75 2HG1 ILE 75 -1.877 10.639 9.150 384 1HG2 ILE 75 1HG2 ILE 75 -4.462 10.908 11.836 385 2HG2 ILE 75 2HG2 ILE 75 -3.913 9.477 12.706 386 3HG2 ILE 75 3HG2 ILE 75 -4.709 9.301 11.143 387 1HD1 ILE 75 1HD1 ILE 75 -3.309 8.760 8.592 388 2HD1 ILE 75 2HD1 ILE 75 -3.830 10.221 7.754 389 3HD1 ILE 75 3HD1 ILE 75 -4.716 9.650 9.167 390 H ASN 76 H ASN 76 -0.229 9.020 12.567 391 HA ASN 76 HA ASN 76 2.189 10.094 11.340 392 1HB ASN 76 1HB ASN 76 2.419 9.406 13.630 393 2HB ASN 76 2HB ASN 76 1.674 7.849 13.297 394 1HD2 ASN 76 1HD2 ASN 76 3.369 6.669 14.049 395 2HD2 ASN 76 2HD2 ASN 76 4.888 6.569 13.226 396 H ILE 77 H ILE 77 2.601 9.506 9.322 397 HA ILE 77 HA ILE 77 1.927 6.750 8.514 398 HB ILE 77 HB ILE 77 2.189 9.216 6.779 399 1HG1 ILE 77 1HG1 ILE 77 -0.160 7.438 7.463 400 2HG1 ILE 77 2HG1 ILE 77 0.069 9.105 7.974 401 1HG2 ILE 77 1HG2 ILE 77 1.608 6.370 5.961 402 2HG2 ILE 77 2HG2 ILE 77 3.119 7.229 5.672 403 3HG2 ILE 77 3HG2 ILE 77 1.635 7.776 4.895 404 1HD1 ILE 77 1HD1 ILE 77 -0.334 8.170 5.141 405 2HD1 ILE 77 2HD1 ILE 77 -0.120 9.841 5.662 406 3HD1 ILE 77 3HD1 ILE 77 -1.547 8.937 6.168 407 H THR 78 H THR 78 3.656 5.615 8.843 408 HA THR 78 HA THR 78 6.310 6.645 8.238 409 HB THR 78 HB THR 78 5.578 3.876 9.216 410 HG1 THR 78 HG1 THR 78 5.404 6.273 10.498 411 1HG2 THR 78 1HG2 THR 78 8.109 5.508 9.452 412 2HG2 THR 78 2HG2 THR 78 7.867 4.131 8.377 413 3HG2 THR 78 3HG2 THR 78 7.852 3.895 10.124 414 H THR 79 H THR 79 7.270 6.286 6.311 415 HA THR 79 HA THR 79 6.093 4.201 4.602 416 HB THR 79 HB THR 79 6.708 5.528 2.642 417 HG1 THR 79 HG1 THR 79 7.778 7.262 4.612 418 1HG2 THR 79 1HG2 THR 79 5.102 7.374 2.919 419 2HG2 THR 79 2HG2 THR 79 5.091 7.087 4.659 420 3HG2 THR 79 3HG2 THR 79 4.482 5.852 3.560 421 H ASP 80 H ASP 80 7.622 3.559 2.813 422 HA ASP 80 HA ASP 80 9.888 2.289 3.794 423 1HB ASP 80 1HB ASP 80 8.936 1.455 1.806 424 2HB ASP 80 2HB ASP 80 8.974 3.026 1.021 425 H GLN 81 H GLN 81 9.536 5.519 2.481 426 HA GLN 81 HA GLN 81 12.451 5.831 2.469 427 1HB GLN 81 1HB GLN 81 10.266 7.371 1.090 428 2HB GLN 81 2HB GLN 81 11.929 7.936 1.156 429 1HG GLN 81 1HG GLN 81 11.032 5.323 -0.038 430 2HG GLN 81 2HG GLN 81 11.401 6.790 -0.944 431 1HE2 GLN 81 1HE2 GLN 81 12.682 4.102 0.815 432 2HE2 GLN 81 2HE2 GLN 81 14.345 4.369 0.408 433 H GLY 82 H GLY 82 10.375 6.120 4.774 434 1HA GLY 82 1HA GLY 82 11.621 7.398 6.622 435 2HA GLY 82 2HA GLY 82 11.269 8.795 5.623 436 H THR 83 H THR 83 10.462 8.963 8.109 437 HA THR 83 HA THR 83 7.652 8.123 8.252 438 HB THR 83 HB THR 83 9.324 9.453 10.394 439 HG1 THR 83 HG1 THR 83 10.078 7.308 9.586 440 1HG2 THR 83 1HG2 THR 83 6.769 7.850 10.522 441 2HG2 THR 83 2HG2 THR 83 6.915 9.595 10.751 442 3HG2 THR 83 3HG2 THR 83 7.653 8.489 11.911 443 H PHE 84 H PHE 84 6.091 9.554 7.727 444 HA PHE 84 HA PHE 84 6.826 12.407 7.701 445 1HB PHE 84 1HB PHE 84 4.933 10.915 5.882 446 2HB PHE 84 2HB PHE 84 5.133 12.662 5.888 447 HD1 PHE 84 HD1 PHE 84 6.447 9.516 4.735 448 HD2 PHE 84 HD2 PHE 84 7.333 13.642 5.254 449 HE1 PHE 84 HE1 PHE 84 8.315 9.310 3.148 450 HE2 PHE 84 HE2 PHE 84 9.202 13.447 3.668 451 HZ PHE 84 HZ PHE 84 9.695 11.279 2.612 452 H HIS 85 H HIS 85 5.084 13.917 8.050 453 HA HIS 85 HA HIS 85 3.194 12.912 10.060 454 1HB HIS 85 1HB HIS 85 3.883 15.801 9.516 455 2HB HIS 85 2HB HIS 85 3.104 15.128 10.938 456 HD1 HIS 85 HD1 HIS 85 6.345 16.116 9.624 457 HD2 HIS 85 HD2 HIS 85 4.949 13.549 12.586 458 HE1 HIS 85 HE1 HIS 85 8.323 15.653 11.112 459 HE2 HIS 85 HE2 HIS 85 7.486 14.028 12.845 460 H LEU 86 H LEU 86 1.079 12.857 9.565 461 HA LEU 86 HA LEU 86 0.251 14.244 7.098 462 1HB LEU 86 1HB LEU 86 0.268 11.613 7.450 463 2HB LEU 86 2HB LEU 86 -1.276 11.940 8.192 464 HG LEU 86 HG LEU 86 -1.422 11.235 5.817 465 1HD1 LEU 86 1HD1 LEU 86 -3.211 12.548 6.820 466 2HD1 LEU 86 2HD1 LEU 86 -2.997 12.946 5.114 467 3HD1 LEU 86 3HD1 LEU 86 -2.385 14.035 6.359 468 1HD2 LEU 86 1HD2 LEU 86 0.632 12.306 5.047 469 2HD2 LEU 86 2HD2 LEU 86 -0.108 13.890 5.282 470 3HD2 LEU 86 3HD2 LEU 86 -0.760 12.781 4.074 471 H LYS 87 H LYS 87 -1.461 15.535 7.176 472 HA LYS 87 HA LYS 87 -3.096 15.555 9.613 473 1HB LYS 87 1HB LYS 87 -1.510 17.496 9.579 474 2HB LYS 87 2HB LYS 87 -2.274 18.040 8.091 475 1HG LYS 87 1HG LYS 87 -4.312 18.498 9.186 476 2HG LYS 87 2HG LYS 87 -3.818 17.615 10.631 477 1HD LYS 87 1HD LYS 87 -2.043 19.300 11.004 478 2HD LYS 87 2HD LYS 87 -2.654 20.210 9.620 479 1HE LYS 87 1HE LYS 87 -4.744 20.601 10.712 480 2HE LYS 87 2HE LYS 87 -4.332 19.487 12.015 481 1HZ LYS 87 1HZ LYS 87 -2.571 20.990 12.703 482 2HZ LYS 87 2HZ LYS 87 -4.069 21.782 12.707 483 3HZ LYS 87 3HZ LYS 87 -2.965 22.068 11.452 484 H THR 88 H THR 88 -5.101 15.071 9.152 485 HA THR 88 HA THR 88 -5.907 14.709 6.450 486 HB THR 88 HB THR 88 -8.065 13.987 7.414 487 HG1 THR 88 HG1 THR 88 -8.003 13.840 9.826 488 1HG2 THR 88 1HG2 THR 88 -7.171 12.072 8.662 489 2HG2 THR 88 2HG2 THR 88 -5.615 12.890 8.796 490 3HG2 THR 88 3HG2 THR 88 -6.222 12.402 7.214 491 H GLY 89 H GLY 89 -7.415 15.745 5.226 492 1HA GLY 89 1HA GLY 89 -7.673 18.560 5.761 493 2HA GLY 89 2HA GLY 89 -8.206 17.712 4.318 494 H ARG 90 H ARG 90 -10.077 19.083 4.470 495 HA ARG 90 HA ARG 90 -12.158 17.994 6.163 496 1HB ARG 90 1HB ARG 90 -12.839 20.247 6.981 497 2HB ARG 90 2HB ARG 90 -11.303 19.697 7.629 498 1HG ARG 90 1HG ARG 90 -11.470 21.545 5.270 499 2HG ARG 90 2HG ARG 90 -11.471 22.133 6.932 500 1HD ARG 90 1HD ARG 90 -9.358 20.224 6.549 501 2HD ARG 90 2HD ARG 90 -9.256 21.495 5.332 502 HE ARG 90 HE ARG 90 -9.638 22.772 7.760 503 1HH1 ARG 90 1HH1 ARG 90 -7.236 20.629 6.374 504 2HH1 ARG 90 2HH1 ARG 90 -5.916 21.328 7.249 505 1HH2 ARG 90 1HH2 ARG 90 -7.918 23.687 8.920 506 2HH2 ARG 90 2HH2 ARG 90 -6.300 23.078 8.699 507 H ASN 91 H ASN 91 -14.253 19.369 5.718 508 HA ASN 91 HA ASN 91 -15.919 19.708 4.235 509 1HB ASN 91 1HB ASN 91 -14.764 21.806 3.786 510 2HB ASN 91 2HB ASN 91 -13.744 21.015 2.591 511 1HD2 ASN 91 1HD2 ASN 91 -17.028 21.995 3.336 512 2HD2 ASN 91 2HD2 ASN 91 -17.600 22.021 1.699 513 HA PRO 92 HA PRO 92 -15.252 16.266 1.380 514 1HB PRO 92 1HB PRO 92 -16.862 14.490 2.545 515 2HB PRO 92 2HB PRO 92 -15.241 14.790 3.179 516 1HG PRO 92 1HG PRO 92 -17.875 15.647 4.246 517 2HG PRO 92 2HG PRO 92 -16.374 15.281 5.113 518 1HD PRO 92 1HD PRO 92 -17.369 17.845 4.377 519 2HD PRO 92 2HD PRO 92 -15.803 17.469 5.120 520 H ASN 93 H ASN 93 -17.384 14.782 0.634 521 HA ASN 93 HA ASN 93 -19.444 16.763 -0.078 522 1HB ASN 93 1HB ASN 93 -18.052 15.639 -1.949 523 2HB ASN 93 2HB ASN 93 -18.974 14.187 -1.574 524 1HD2 ASN 93 1HD2 ASN 93 -18.950 15.649 -4.035 525 2HD2 ASN 93 2HD2 ASN 93 -20.559 16.226 -4.313 526 H ASN 94 H ASN 94 -19.884 16.009 2.241 527 HA ASN 94 HA ASN 94 -21.404 15.139 3.678 528 1HB ASN 94 1HB ASN 94 -23.016 15.274 1.745 529 2HB ASN 94 2HB ASN 94 -22.603 13.604 1.364 530 1HD2 ASN 94 1HD2 ASN 94 -24.219 15.732 3.541 531 2HD2 ASN 94 2HD2 ASN 94 -25.059 14.520 4.446 532 H SER 95 H SER 95 -21.120 13.560 5.123 533 HA SER 95 HA SER 95 -20.293 11.698 6.116 534 1HB SER 95 1HB SER 95 -20.527 10.420 3.375 535 2HB SER 95 2HB SER 95 -20.368 9.572 4.913 536 HG SER 95 HG SER 95 -22.517 11.299 4.197 537 H SER 96 H SER 96 -18.425 9.961 5.813 538 HA SER 96 HA SER 96 -16.214 9.538 5.616 539 1HB SER 96 1HB SER 96 -16.209 11.502 3.323 540 2HB SER 96 2HB SER 96 -15.024 10.236 3.636 541 HG SER 96 HG SER 96 -16.254 8.991 2.486 542 H ARG 97 H ARG 97 -14.883 10.193 7.124 543 HA ARG 97 HA ARG 97 -14.392 13.072 7.453 544 1HB ARG 97 1HB ARG 97 -14.197 10.847 9.501 545 2HB ARG 97 2HB ARG 97 -13.669 12.499 9.788 546 1HG ARG 97 1HG ARG 97 -15.786 12.389 10.760 547 2HG ARG 97 2HG ARG 97 -16.063 13.180 9.209 548 1HD ARG 97 1HD ARG 97 -16.550 10.803 8.339 549 2HD ARG 97 2HD ARG 97 -16.713 10.376 10.041 550 HE ARG 97 HE ARG 97 -18.299 12.630 9.563 551 1HH1 ARG 97 1HH1 ARG 97 -18.150 9.230 8.747 552 2HH1 ARG 97 2HH1 ARG 97 -19.849 9.090 8.404 553 1HH2 ARG 97 1HH2 ARG 97 -20.566 12.457 9.128 554 2HH2 ARG 97 2HH2 ARG 97 -21.217 10.927 8.601 555 H ALA 98 H ALA 98 -12.176 13.650 8.127 556 HA ALA 98 HA ALA 98 -9.938 13.677 7.791 557 1HB ALA 98 1HB ALA 98 -9.907 11.571 9.057 558 2HB ALA 98 2HB ALA 98 -8.670 11.598 7.798 559 3HB ALA 98 3HB ALA 98 -10.155 10.677 7.560 560 H TYR 99 H TYR 99 -10.106 14.815 5.896 561 HA TYR 99 HA TYR 99 -10.772 13.465 3.433 562 1HB TYR 99 1HB TYR 99 -11.502 15.815 4.144 563 2HB TYR 99 2HB TYR 99 -9.868 16.321 3.742 564 HD1 TYR 99 HD1 TYR 99 -9.205 16.648 1.464 565 HD2 TYR 99 HD2 TYR 99 -13.013 14.978 2.371 566 HE1 TYR 99 HE1 TYR 99 -9.903 16.984 -0.873 567 HE2 TYR 99 HE2 TYR 99 -13.721 15.302 0.042 568 HH TYR 99 HH TYR 99 -13.113 16.804 -1.863 569 H MET 100 H MET 100 -9.314 12.502 2.181 570 HA MET 100 HA MET 100 -6.480 13.157 2.525 571 1HB MET 100 1HB MET 100 -7.815 10.816 1.154 572 2HB MET 100 2HB MET 100 -6.077 11.050 1.269 573 1HG MET 100 1HG MET 100 -7.955 10.680 3.594 574 2HG MET 100 2HG MET 100 -6.893 9.448 2.916 575 1HE MET 100 1HE MET 100 -5.858 8.966 5.299 576 2HE MET 100 2HE MET 100 -6.941 10.171 5.996 577 3HE MET 100 3HE MET 100 -5.214 10.221 6.358 578 H GLY 101 H GLY 101 -5.119 13.542 0.710 579 1HA GLY 101 1HA GLY 101 -6.596 14.384 -1.706 580 2HA GLY 101 2HA GLY 101 -5.284 15.337 -1.028 581 H ILE 102 H ILE 102 -5.120 11.862 -1.099 582 HA ILE 102 HA ILE 102 -3.362 11.942 -3.447 583 HB ILE 102 HB ILE 102 -1.706 10.515 -2.397 584 1HG1 ILE 102 1HG1 ILE 102 -3.235 10.882 0.189 585 2HG1 ILE 102 2HG1 ILE 102 -3.299 9.423 -0.791 586 1HG2 ILE 102 1HG2 ILE 102 -0.709 12.115 -0.851 587 2HG2 ILE 102 2HG2 ILE 102 -2.247 12.966 -0.730 588 3HG2 ILE 102 3HG2 ILE 102 -1.383 12.928 -2.265 589 1HD1 ILE 102 1HD1 ILE 102 -0.883 9.129 -0.462 590 2HD1 ILE 102 2HD1 ILE 102 -1.784 9.125 1.055 591 3HD1 ILE 102 3HD1 ILE 102 -0.871 10.555 0.575 592 H ARG 103 H ARG 103 -2.949 9.832 -4.340 593 HA ARG 103 HA ARG 103 -5.220 8.007 -3.961 594 1HB ARG 103 1HB ARG 103 -3.235 8.324 -6.221 595 2HB ARG 103 2HB ARG 103 -4.449 7.054 -6.157 596 1HG ARG 103 1HG ARG 103 -5.166 9.968 -6.046 597 2HG ARG 103 2HG ARG 103 -4.993 9.086 -7.565 598 1HD ARG 103 1HD ARG 103 -6.708 7.507 -6.847 599 2HD ARG 103 2HD ARG 103 -6.865 8.365 -5.316 600 HE ARG 103 HE ARG 103 -8.067 10.026 -6.369 601 1HH1 ARG 103 1HH1 ARG 103 -6.685 7.889 -8.773 602 2HH1 ARG 103 2HH1 ARG 103 -7.685 8.481 -10.058 603 1HH2 ARG 103 1HH2 ARG 103 -9.383 10.802 -8.037 604 2HH2 ARG 103 2HH2 ARG 103 -9.229 10.153 -9.646 605 H THR 104 H THR 104 -4.857 5.786 -3.580 606 HA THR 104 HA THR 104 -2.076 5.046 -2.977 607 HB THR 104 HB THR 104 -3.039 3.688 -1.037 608 HG1 THR 104 HG1 THR 104 -5.059 5.528 -0.710 609 1HG2 THR 104 1HG2 THR 104 -1.658 5.661 -0.675 610 2HG2 THR 104 2HG2 THR 104 -2.972 5.615 0.500 611 3HG2 THR 104 3HG2 THR 104 -3.065 6.704 -0.882 612 H SER 105 H SER 105 -1.593 2.821 -3.101 613 HA SER 105 HA SER 105 -3.627 1.159 -4.426 614 1HB SER 105 1HB SER 105 -1.645 0.004 -5.530 615 2HB SER 105 2HB SER 105 -1.992 1.640 -6.095 616 HG SER 105 HG SER 105 0.055 1.917 -5.662 617 H ASN 106 H ASN 106 -2.953 -1.270 -4.179 618 HA ASN 106 HA ASN 106 -2.371 -1.629 -1.326 619 1HB ASN 106 1HB ASN 106 -3.693 -3.725 -1.521 620 2HB ASN 106 2HB ASN 106 -4.620 -2.269 -1.846 621 1HD2 ASN 106 1HD2 ASN 106 -5.339 -4.876 -2.622 622 2HD2 ASN 106 2HD2 ASN 106 -5.386 -4.916 -4.349 623 H HIS 107 H HIS 107 -0.853 -1.919 -4.152 624 HA HIS 107 HA HIS 107 1.108 -2.890 -4.760 625 1HB HIS 107 1HB HIS 107 1.898 -2.228 -2.594 626 2HB HIS 107 2HB HIS 107 1.119 -3.603 -1.831 627 HD1 HIS 107 HD1 HIS 107 3.808 -3.127 -4.513 628 HD2 HIS 107 HD2 HIS 107 2.882 -5.497 -1.229 629 HE1 HIS 107 HE1 HIS 107 5.785 -4.651 -4.193 630 HE2 HIS 107 HE2 HIS 107 5.310 -5.866 -2.031 631 H LEU 108 H LEU 108 -0.530 -4.251 -5.945 632 HA LEU 108 HA LEU 108 0.135 -7.055 -5.456 633 1HB LEU 108 1HB LEU 108 -2.571 -5.903 -6.088 634 2HB LEU 108 2HB LEU 108 -2.181 -7.582 -6.379 635 HG LEU 108 HG LEU 108 -2.107 -6.211 -3.714 636 1HD1 LEU 108 1HD1 LEU 108 -4.051 -7.592 -3.183 637 2HD1 LEU 108 2HD1 LEU 108 -4.036 -8.248 -4.820 638 3HD1 LEU 108 3HD1 LEU 108 -4.381 -6.538 -4.558 639 1HD2 LEU 108 1HD2 LEU 108 -1.785 -8.481 -2.815 640 2HD2 LEU 108 2HD2 LEU 108 -0.442 -7.960 -3.832 641 3HD2 LEU 108 3HD2 LEU 108 -1.639 -9.091 -4.464 642 H ARG 109 H ARG 109 -1.087 -8.160 -7.583 643 HA ARG 109 HA ARG 109 -0.757 -8.726 -9.729 644 1HB ARG 109 1HB ARG 109 -0.492 -5.756 -10.199 645 2HB ARG 109 2HB ARG 109 -0.696 -6.971 -11.454 646 1HG ARG 109 1HG ARG 109 -2.849 -7.592 -10.157 647 2HG ARG 109 2HG ARG 109 -2.664 -5.992 -9.433 648 1HD ARG 109 1HD ARG 109 -4.091 -5.763 -11.331 649 2HD ARG 109 2HD ARG 109 -2.532 -5.048 -11.740 650 HE ARG 109 HE ARG 109 -2.656 -7.781 -12.533 651 1HH1 ARG 109 1HH1 ARG 109 -3.668 -4.554 -13.449 652 2HH1 ARG 109 2HH1 ARG 109 -3.833 -4.943 -15.135 653 1HH2 ARG 109 1HH2 ARG 109 -2.898 -8.309 -14.745 654 2HH2 ARG 109 2HH2 ARG 109 -3.393 -7.080 -15.877 655 H VAL 110 H VAL 110 1.185 -9.633 -8.764 656 HA VAL 110 HA VAL 110 3.476 -8.976 -10.362 657 HB VAL 110 HB VAL 110 3.590 -7.430 -8.395 658 1HG1 VAL 110 1HG1 VAL 110 4.021 -9.970 -6.839 659 2HG1 VAL 110 2HG1 VAL 110 2.650 -8.870 -6.694 660 3HG1 VAL 110 3HG1 VAL 110 4.262 -8.334 -6.221 661 1HG2 VAL 110 1HG2 VAL 110 5.968 -7.856 -7.915 662 2HG2 VAL 110 2HG2 VAL 110 5.591 -7.990 -9.635 663 3HG2 VAL 110 3HG2 VAL 110 5.815 -9.446 -8.665 664 H ARG 111 H ARG 111 5.075 -10.682 -10.255 665 HA ARG 111 HA ARG 111 3.882 -13.180 -9.272 666 1HB ARG 111 1HB ARG 111 6.071 -13.029 -11.333 667 2HB ARG 111 2HB ARG 111 4.952 -14.349 -11.021 668 1HG ARG 111 1HG ARG 111 3.123 -12.715 -11.766 669 2HG ARG 111 2HG ARG 111 4.446 -11.757 -12.431 670 1HD ARG 111 1HD ARG 111 3.805 -13.060 -14.237 671 2HD ARG 111 2HD ARG 111 5.161 -13.968 -13.566 672 HE ARG 111 HE ARG 111 2.857 -14.938 -12.355 673 1HH1 ARG 111 1HH1 ARG 111 4.229 -14.820 -15.590 674 2HH1 ARG 111 2HH1 ARG 111 3.382 -16.241 -16.113 675 1HH2 ARG 111 1HH2 ARG 111 1.745 -16.782 -13.069 676 2HH2 ARG 111 2HH2 ARG 111 1.980 -17.359 -14.700 677 H ASP 112 H ASP 112 4.665 -13.471 -7.281 678 HA ASP 112 HA ASP 112 7.544 -13.663 -6.919 679 1HB ASP 112 1HB ASP 112 7.106 -11.395 -6.203 680 2HB ASP 112 2HB ASP 112 5.717 -11.910 -5.254 681 H SER 113 H SER 113 8.126 -15.122 -5.380 682 HA SER 113 HA SER 113 6.096 -17.018 -4.614 683 1HB SER 113 1HB SER 113 8.307 -17.766 -5.467 684 2HB SER 113 2HB SER 113 9.072 -17.058 -4.046 685 HG SER 113 HG SER 113 7.840 -18.513 -2.763 686 H VAL 114 H VAL 114 4.903 -15.716 -3.162 687 HA VAL 114 HA VAL 114 6.028 -14.615 -0.803 688 HB VAL 114 HB VAL 114 3.637 -14.554 0.017 689 1HG1 VAL 114 1HG1 VAL 114 4.198 -13.397 -2.717 690 2HG1 VAL 114 2HG1 VAL 114 4.636 -12.674 -1.169 691 3HG1 VAL 114 3HG1 VAL 114 2.937 -12.854 -1.609 692 1HG2 VAL 114 1HG2 VAL 114 2.788 -16.501 -1.180 693 2HG2 VAL 114 2HG2 VAL 114 3.085 -15.701 -2.721 694 3HG2 VAL 114 3HG2 VAL 114 1.871 -15.057 -1.617 695 H ALA 115 H ALA 115 6.276 -15.439 1.210 696 HA ALA 115 HA ALA 115 5.916 -18.350 1.452 697 1HB ALA 115 1HB ALA 115 8.198 -17.556 1.738 698 2HB ALA 115 2HB ALA 115 7.576 -18.237 3.242 699 3HB ALA 115 3HB ALA 115 7.678 -16.486 3.039 700 H SER 116 H SER 116 5.416 -15.317 3.243 701 HA SER 116 HA SER 116 3.909 -16.657 5.306 702 1HB SER 116 1HB SER 116 5.303 -14.598 5.721 703 2HB SER 116 2HB SER 116 4.116 -13.679 4.800 704 HG SER 116 HG SER 116 3.115 -13.503 6.639 705 H VAL 117 H VAL 117 2.290 -17.668 4.089 706 HA VAL 117 HA VAL 117 0.261 -15.867 2.957 707 HB VAL 117 HB VAL 117 0.603 -18.812 2.382 708 1HG1 VAL 117 1HG1 VAL 117 -1.682 -18.019 2.098 709 2HG1 VAL 117 2HG1 VAL 117 -0.952 -18.388 0.534 710 3HG1 VAL 117 3HG1 VAL 117 -1.110 -16.711 1.061 711 1HG2 VAL 117 1HG2 VAL 117 1.418 -16.449 0.704 712 2HG2 VAL 117 2HG2 VAL 117 1.471 -18.137 0.199 713 3HG2 VAL 117 3HG2 VAL 117 2.507 -17.575 1.512 714 H LEU 118 H LEU 118 -1.381 -15.554 4.320 715 HA LEU 118 HA LEU 118 -2.073 -17.690 6.200 716 1HB LEU 118 1HB LEU 118 -2.834 -14.771 6.106 717 2HB LEU 118 2HB LEU 118 -3.546 -15.909 7.233 718 HG LEU 118 HG LEU 118 -1.136 -16.359 8.020 719 1HD1 LEU 118 1HD1 LEU 118 -0.711 -13.718 6.626 720 2HD1 LEU 118 2HD1 LEU 118 0.012 -15.259 6.167 721 3HD1 LEU 118 3HD1 LEU 118 0.430 -14.516 7.711 722 1HD2 LEU 118 1HD2 LEU 118 -2.457 -13.696 8.518 723 2HD2 LEU 118 2HD2 LEU 118 -1.207 -14.425 9.528 724 3HD2 LEU 118 3HD2 LEU 118 -2.778 -15.209 9.370 725 H GLY 119 H GLY 119 -3.051 -16.333 3.268 726 1HA GLY 119 1HA GLY 119 -4.739 -17.018 1.848 727 2HA GLY 119 2HA GLY 119 -5.328 -18.086 3.118 728 H ASP 120 H ASP 120 -6.397 -16.999 4.966 729 HA ASP 120 HA ASP 120 -7.351 -14.377 4.903 730 1HB ASP 120 1HB ASP 120 -8.637 -15.175 2.906 731 2HB ASP 120 2HB ASP 120 -9.434 -16.360 3.938 732 H THR 121 H THR 121 -8.725 -17.572 5.509 733 HA THR 121 HA THR 121 -9.714 -18.547 7.267 734 HB THR 121 HB THR 121 -8.540 -18.350 9.474 735 HG1 THR 121 HG1 THR 121 -7.589 -16.121 8.411 736 1HG2 THR 121 1HG2 THR 121 -7.897 -20.047 7.856 737 2HG2 THR 121 2HG2 THR 121 -6.467 -19.430 8.683 738 3HG2 THR 121 3HG2 THR 121 -6.837 -18.900 7.043 739 H LEU 122 H LEU 122 -11.688 -17.538 7.105 740 HA LEU 122 HA LEU 122 -12.292 -15.169 8.626 741 1HB LEU 122 1HB LEU 122 -13.978 -17.162 7.118 742 2HB LEU 122 2HB LEU 122 -14.687 -15.859 8.050 743 HG LEU 122 HG LEU 122 -12.760 -15.422 5.767 744 1HD1 LEU 122 1HD1 LEU 122 -14.828 -16.474 4.972 745 2HD1 LEU 122 2HD1 LEU 122 -14.721 -14.792 4.459 746 3HD1 LEU 122 3HD1 LEU 122 -15.773 -15.237 5.801 747 1HD2 LEU 122 1HD2 LEU 122 -13.604 -13.118 5.891 748 2HD2 LEU 122 2HD2 LEU 122 -12.829 -13.609 7.399 749 3HD2 LEU 122 3HD2 LEU 122 -14.588 -13.559 7.285 750 HA PRO 123 HA PRO 123 -13.041 -17.188 12.515 751 1HB PRO 123 1HB PRO 123 -14.784 -15.340 13.556 752 2HB PRO 123 2HB PRO 123 -13.028 -15.153 13.559 753 1HG PRO 123 1HG PRO 123 -15.056 -13.984 11.701 754 2HG PRO 123 2HG PRO 123 -13.606 -13.235 12.395 755 1HD PRO 123 1HD PRO 123 -13.680 -14.145 9.857 756 2HD PRO 123 2HD PRO 123 -12.205 -14.217 10.844 757 H PHE 124 H PHE 124 -14.662 -18.388 13.549 758 HA PHE 124 HA PHE 124 -16.609 -19.539 11.942 759 1HB PHE 124 1HB PHE 124 -17.485 -20.563 13.993 760 2HB PHE 124 2HB PHE 124 -15.729 -20.627 13.950 761 HD1 PHE 124 HD1 PHE 124 -14.418 -19.000 15.352 762 HD2 PHE 124 HD2 PHE 124 -18.628 -19.505 15.757 763 HE1 PHE 124 HE1 PHE 124 -14.325 -17.959 17.576 764 HE2 PHE 124 HE2 PHE 124 -18.539 -18.459 17.983 765 HZ PHE 124 HZ PHE 124 -16.385 -17.686 18.894 766 H ALA 125 H ALA 125 -18.822 -19.359 11.783 767 HA ALA 125 HA ALA 125 -20.367 -17.428 13.186 768 1HB ALA 125 1HB ALA 125 -20.840 -15.921 11.314 769 2HB ALA 125 2HB ALA 125 -19.635 -16.759 10.337 770 3HB ALA 125 3HB ALA 125 -19.138 -15.866 11.776 Start of MODEL 3 1 H GLN 23 H GLN 23 -2.781 -12.073 -2.330 2 HA GLN 23 HA GLN 23 -3.314 -12.272 0.528 3 1HB GLN 23 1HB GLN 23 -0.786 -12.708 -1.074 4 2HB GLN 23 2HB GLN 23 -0.835 -12.749 0.682 5 1HG GLN 23 1HG GLN 23 -1.013 -14.970 0.219 6 2HG GLN 23 2HG GLN 23 -2.716 -14.530 0.273 7 1HE2 GLN 23 1HE2 GLN 23 -0.067 -15.498 -1.728 8 2HE2 GLN 23 2HE2 GLN 23 -0.995 -15.821 -3.151 9 HA PRO 24 HA PRO 24 -2.396 -7.921 0.994 10 1HB PRO 24 1HB PRO 24 -2.294 -8.577 3.863 11 2HB PRO 24 2HB PRO 24 -3.373 -7.478 3.003 12 1HG PRO 24 1HG PRO 24 -4.246 -9.813 3.998 13 2HG PRO 24 2HG PRO 24 -4.885 -9.141 2.485 14 1HD PRO 24 1HD PRO 24 -2.867 -11.316 2.892 15 2HD PRO 24 2HD PRO 24 -4.208 -11.225 1.729 16 H ASP 25 H ASP 25 -0.591 -6.675 1.527 17 HA ASP 25 HA ASP 25 1.719 -7.986 2.709 18 1HB ASP 25 1HB ASP 25 1.721 -8.562 0.250 19 2HB ASP 25 2HB ASP 25 1.920 -6.844 -0.076 20 H GLY 26 H GLY 26 0.295 -5.136 1.253 21 1HA GLY 26 1HA GLY 26 0.949 -3.294 3.155 22 2HA GLY 26 2HA GLY 26 2.352 -3.335 2.094 23 H VAL 27 H VAL 27 1.064 -0.984 2.240 24 HA VAL 27 HA VAL 27 -0.384 -0.881 -0.322 25 HB VAL 27 HB VAL 27 -1.629 1.089 0.526 26 1HG1 VAL 27 1HG1 VAL 27 -3.178 -0.158 1.969 27 2HG1 VAL 27 2HG1 VAL 27 -1.977 -1.439 2.135 28 3HG1 VAL 27 3HG1 VAL 27 -2.685 -1.093 0.555 29 1HG2 VAL 27 1HG2 VAL 27 -1.707 1.474 2.969 30 2HG2 VAL 27 2HG2 VAL 27 -0.141 1.852 2.258 31 3HG2 VAL 27 3HG2 VAL 27 -0.358 0.353 3.160 32 H GLN 28 H GLN 28 -0.007 0.882 -1.659 33 HA GLN 28 HA GLN 28 2.317 2.547 -0.946 34 1HB GLN 28 1HB GLN 28 3.076 0.804 -2.451 35 2HB GLN 28 2HB GLN 28 1.768 1.148 -3.569 36 1HG GLN 28 1HG GLN 28 2.722 3.323 -4.052 37 2HG GLN 28 2HG GLN 28 4.013 3.034 -2.888 38 1HE2 GLN 28 1HE2 GLN 28 5.634 3.226 -4.411 39 2HE2 GLN 28 2HE2 GLN 28 5.895 2.036 -5.643 40 H ILE 29 H ILE 29 2.361 4.643 -1.977 41 HA ILE 29 HA ILE 29 -0.331 5.609 -2.511 42 HB ILE 29 HB ILE 29 0.931 7.875 -2.751 43 1HG1 ILE 29 1HG1 ILE 29 2.930 6.278 -1.138 44 2HG1 ILE 29 2HG1 ILE 29 3.198 6.888 -2.766 45 1HG2 ILE 29 1HG2 ILE 29 -0.641 7.412 -1.025 46 2HG2 ILE 29 2HG2 ILE 29 0.777 8.178 -0.307 47 3HG2 ILE 29 3HG2 ILE 29 0.535 6.438 -0.140 48 1HD1 ILE 29 1HD1 ILE 29 2.969 9.186 -1.921 49 2HD1 ILE 29 2HD1 ILE 29 4.281 8.307 -1.136 50 3HD1 ILE 29 3HD1 ILE 29 2.751 8.545 -0.292 51 H ASP 30 H ASP 30 -1.136 5.861 -4.386 52 HA ASP 30 HA ASP 30 0.172 5.205 -6.792 53 1HB ASP 30 1HB ASP 30 -2.248 4.957 -6.426 54 2HB ASP 30 2HB ASP 30 -2.413 6.697 -6.320 55 H SER 31 H SER 31 -1.190 8.311 -5.727 56 HA SER 31 HA SER 31 0.977 9.821 -6.777 57 1HB SER 31 1HB SER 31 -0.312 10.946 -8.610 58 2HB SER 31 2HB SER 31 0.059 9.255 -8.939 59 HG SER 31 HG SER 31 -2.019 8.704 -8.632 60 H VAL 32 H VAL 32 0.600 12.135 -6.637 61 HA VAL 32 HA VAL 32 -1.306 12.778 -4.521 62 HB VAL 32 HB VAL 32 1.094 14.299 -5.562 63 1HG1 VAL 32 1HG1 VAL 32 -0.642 15.853 -4.834 64 2HG1 VAL 32 2HG1 VAL 32 0.716 15.854 -3.709 65 3HG1 VAL 32 3HG1 VAL 32 -0.768 15.000 -3.295 66 1HG2 VAL 32 1HG2 VAL 32 0.623 12.888 -2.939 67 2HG2 VAL 32 2HG2 VAL 32 2.061 13.813 -3.369 68 3HG2 VAL 32 3HG2 VAL 32 1.669 12.333 -4.245 69 H VAL 33 H VAL 33 -3.046 13.993 -4.919 70 HA VAL 33 HA VAL 33 -3.473 14.954 -7.640 71 HB VAL 33 HB VAL 33 -5.414 14.847 -5.319 72 1HG1 VAL 33 1HG1 VAL 33 -7.145 15.093 -7.024 73 2HG1 VAL 33 2HG1 VAL 33 -5.905 15.240 -8.269 74 3HG1 VAL 33 3HG1 VAL 33 -6.049 16.476 -7.017 75 1HG2 VAL 33 1HG2 VAL 33 -5.012 12.912 -7.596 76 2HG2 VAL 33 2HG2 VAL 33 -6.350 12.865 -6.447 77 3HG2 VAL 33 3HG2 VAL 33 -4.695 12.609 -5.888 78 HA PRO 34 HA PRO 34 -2.402 19.139 -6.500 79 1HB PRO 34 1HB PRO 34 -4.244 19.805 -8.732 80 2HB PRO 34 2HB PRO 34 -2.565 20.294 -8.473 81 1HG PRO 34 1HG PRO 34 -3.199 18.458 -10.304 82 2HG PRO 34 2HG PRO 34 -1.718 18.316 -9.338 83 1HD PRO 34 1HD PRO 34 -4.309 16.852 -9.073 84 2HD PRO 34 2HD PRO 34 -2.650 16.267 -8.833 85 H GLY 35 H GLY 35 -3.283 20.233 -4.903 86 1HA GLY 35 1HA GLY 35 -5.156 21.658 -4.167 87 2HA GLY 35 2HA GLY 35 -6.232 20.388 -4.738 88 H SER 36 H SER 36 -3.335 19.396 -3.244 89 HA SER 36 HA SER 36 -4.823 18.701 -0.803 90 1HB SER 36 1HB SER 36 -3.418 16.626 -0.759 91 2HB SER 36 2HB SER 36 -4.505 16.712 -2.146 92 HG SER 36 HG SER 36 -2.852 16.886 -3.462 93 HA PRO 37 HA PRO 37 -1.439 20.589 1.403 94 1HB PRO 37 1HB PRO 37 -1.604 19.241 3.757 95 2HB PRO 37 2HB PRO 37 -2.746 20.508 3.293 96 1HG PRO 37 1HG PRO 37 -3.046 17.535 3.138 97 2HG PRO 37 2HG PRO 37 -4.226 18.752 3.656 98 1HD PRO 37 1HD PRO 37 -4.264 17.625 1.186 99 2HD PRO 37 2HD PRO 37 -4.810 19.287 1.490 100 H ALA 38 H ALA 38 -1.677 17.142 0.946 101 HA ALA 38 HA ALA 38 0.838 16.441 2.100 102 1HB ALA 38 1HB ALA 38 0.449 14.239 1.152 103 2HB ALA 38 2HB ALA 38 -0.862 14.880 0.162 104 3HB ALA 38 3HB ALA 38 -1.019 14.848 1.918 105 H SER 39 H SER 39 0.049 17.970 -0.773 106 HA SER 39 HA SER 39 1.770 16.824 -2.637 107 1HB SER 39 1HB SER 39 1.661 19.091 -3.756 108 2HB SER 39 2HB SER 39 0.102 18.351 -3.397 109 HG SER 39 HG SER 39 -0.282 19.833 -1.887 110 H LYS 40 H LYS 40 2.457 19.014 -0.011 111 HA LYS 40 HA LYS 40 5.240 19.220 -0.942 112 1HB LYS 40 1HB LYS 40 3.590 21.030 0.812 113 2HB LYS 40 2HB LYS 40 5.344 21.136 0.750 114 1HG LYS 40 1HG LYS 40 5.264 21.622 -1.618 115 2HG LYS 40 2HG LYS 40 3.511 21.425 -1.621 116 1HD LYS 40 1HD LYS 40 3.235 23.335 -0.197 117 2HD LYS 40 2HD LYS 40 4.979 23.471 0.036 118 1HE LYS 40 1HE LYS 40 3.573 23.774 -2.618 119 2HE LYS 40 2HE LYS 40 4.056 25.115 -1.581 120 1HZ LYS 40 1HZ LYS 40 5.716 24.807 -3.247 121 2HZ LYS 40 2HZ LYS 40 5.850 23.152 -2.906 122 3HZ LYS 40 3HZ LYS 40 6.371 24.296 -1.766 123 H VAL 41 H VAL 41 3.681 17.145 0.757 124 HA VAL 41 HA VAL 41 5.434 17.179 3.119 125 HB VAL 41 HB VAL 41 3.036 15.406 2.595 126 1HG1 VAL 41 1HG1 VAL 41 4.663 15.818 5.104 127 2HG1 VAL 41 2HG1 VAL 41 4.690 14.385 4.077 128 3HG1 VAL 41 3HG1 VAL 41 3.223 14.811 4.956 129 1HG2 VAL 41 1HG2 VAL 41 3.304 17.854 4.340 130 2HG2 VAL 41 2HG2 VAL 41 1.898 16.791 4.276 131 3HG2 VAL 41 3HG2 VAL 41 2.360 17.726 2.854 132 H LEU 42 H LEU 42 4.164 14.799 0.789 133 HA LEU 42 HA LEU 42 6.812 13.552 0.788 134 1HB LEU 42 1HB LEU 42 5.316 11.404 0.362 135 2HB LEU 42 2HB LEU 42 5.856 11.889 1.951 136 HG LEU 42 HG LEU 42 3.604 13.076 2.188 137 1HD1 LEU 42 1HD1 LEU 42 3.001 13.126 -0.172 138 2HD1 LEU 42 2HD1 LEU 42 1.790 12.258 0.771 139 3HD1 LEU 42 3HD1 LEU 42 2.953 11.365 -0.210 140 1HD2 LEU 42 1HD2 LEU 42 2.459 11.013 2.808 141 2HD2 LEU 42 2HD2 LEU 42 4.149 10.993 3.316 142 3HD2 LEU 42 3HD2 LEU 42 3.646 10.081 1.895 143 H THR 43 H THR 43 7.029 12.000 -1.061 144 HA THR 43 HA THR 43 5.828 13.205 -3.454 145 HB THR 43 HB THR 43 7.721 11.999 -4.664 146 HG1 THR 43 HG1 THR 43 8.716 11.805 -1.989 147 1HG2 THR 43 1HG2 THR 43 8.446 14.152 -2.676 148 2HG2 THR 43 2HG2 THR 43 7.750 14.409 -4.276 149 3HG2 THR 43 3HG2 THR 43 9.369 13.730 -4.119 150 HA PRO 44 HA PRO 44 3.426 9.562 -4.026 151 1HB PRO 44 1HB PRO 44 3.062 9.712 -6.734 152 2HB PRO 44 2HB PRO 44 2.161 10.678 -5.560 153 1HG PRO 44 1HG PRO 44 4.526 11.431 -7.223 154 2HG PRO 44 2HG PRO 44 3.080 12.382 -6.832 155 1HD PRO 44 1HD PRO 44 5.446 12.758 -5.577 156 2HD PRO 44 2HD PRO 44 3.888 12.981 -4.754 157 H GLY 45 H GLY 45 3.717 7.442 -4.529 158 1HA GLY 45 1HA GLY 45 4.738 5.702 -5.871 159 2HA GLY 45 2HA GLY 45 6.130 6.753 -6.082 160 H LEU 46 H LEU 46 5.293 7.135 -2.945 161 HA LEU 46 HA LEU 46 7.385 5.335 -2.055 162 1HB LEU 46 1HB LEU 46 5.681 7.286 -0.502 163 2HB LEU 46 2HB LEU 46 7.033 6.382 0.152 164 HG LEU 46 HG LEU 46 7.204 8.481 -2.014 165 1HD1 LEU 46 1HD1 LEU 46 8.428 9.765 -0.311 166 2HD1 LEU 46 2HD1 LEU 46 8.067 8.509 0.873 167 3HD1 LEU 46 3HD1 LEU 46 6.759 9.449 0.159 168 1HD2 LEU 46 1HD2 LEU 46 8.868 6.726 -2.333 169 2HD2 LEU 46 2HD2 LEU 46 9.381 6.897 -0.655 170 3HD2 LEU 46 3HD2 LEU 46 9.625 8.224 -1.790 171 H VAL 47 H VAL 47 7.036 3.985 -0.092 172 HA VAL 47 HA VAL 47 4.455 2.599 -0.322 173 HB VAL 47 HB VAL 47 7.055 1.563 0.835 174 1HG1 VAL 47 1HG1 VAL 47 5.095 0.476 1.798 175 2HG1 VAL 47 2HG1 VAL 47 5.955 -0.638 0.733 176 3HG1 VAL 47 3HG1 VAL 47 4.470 0.142 0.184 177 1HG2 VAL 47 1HG2 VAL 47 5.778 1.020 -1.845 178 2HG2 VAL 47 2HG2 VAL 47 7.215 0.221 -1.205 179 3HG2 VAL 47 3HG2 VAL 47 7.251 1.947 -1.562 180 H ILE 48 H ILE 48 3.134 2.381 1.440 181 HA ILE 48 HA ILE 48 3.891 3.860 3.861 182 HB ILE 48 HB ILE 48 1.203 2.756 3.022 183 1HG1 ILE 48 1HG1 ILE 48 2.225 5.605 2.981 184 2HG1 ILE 48 2HG1 ILE 48 2.021 4.583 1.562 185 1HG2 ILE 48 1HG2 ILE 48 1.960 4.583 5.295 186 2HG2 ILE 48 2HG2 ILE 48 1.389 2.919 5.429 187 3HG2 ILE 48 3HG2 ILE 48 0.310 4.177 4.824 188 1HD1 ILE 48 1HD1 ILE 48 0.180 6.145 1.798 189 2HD1 ILE 48 2HD1 ILE 48 -0.177 5.500 3.401 190 3HD1 ILE 48 3HD1 ILE 48 -0.376 4.482 1.973 191 H GLU 49 H GLU 49 4.634 2.770 5.552 192 HA GLU 49 HA GLU 49 4.322 -0.102 5.631 193 1HB GLU 49 1HB GLU 49 5.891 1.793 7.363 194 2HB GLU 49 2HB GLU 49 5.846 0.055 7.611 195 1HG GLU 49 1HG GLU 49 6.649 -0.116 5.181 196 2HG GLU 49 2HG GLU 49 7.048 1.595 5.340 197 H SER 50 H SER 50 3.453 2.692 7.665 198 HA SER 50 HA SER 50 1.219 1.218 8.698 199 1HB SER 50 1HB SER 50 1.937 1.413 11.095 200 2HB SER 50 2HB SER 50 2.853 0.245 10.148 201 HG SER 50 HG SER 50 4.540 1.303 10.792 202 H ILE 51 H ILE 51 -0.196 2.437 10.002 203 HA ILE 51 HA ILE 51 0.228 5.343 9.724 204 HB ILE 51 HB ILE 51 -2.407 3.863 9.835 205 1HG1 ILE 51 1HG1 ILE 51 -1.013 5.273 7.545 206 2HG1 ILE 51 2HG1 ILE 51 -1.254 3.533 7.698 207 1HG2 ILE 51 1HG2 ILE 51 -2.547 6.060 10.873 208 2HG2 ILE 51 2HG2 ILE 51 -3.402 6.053 9.331 209 3HG2 ILE 51 3HG2 ILE 51 -1.808 6.796 9.453 210 1HD1 ILE 51 1HD1 ILE 51 -3.443 5.588 7.448 211 2HD1 ILE 51 2HD1 ILE 51 -3.652 3.837 7.527 212 3HD1 ILE 51 3HD1 ILE 51 -2.834 4.565 6.145 213 H ASN 52 H ASN 52 1.169 5.761 11.640 214 HA ASN 52 HA ASN 52 1.247 6.467 13.788 215 1HB ASN 52 1HB ASN 52 -0.950 7.467 12.883 216 2HB ASN 52 2HB ASN 52 -1.741 6.258 13.883 217 1HD2 ASN 52 1HD2 ASN 52 -2.672 7.942 15.073 218 2HD2 ASN 52 2HD2 ASN 52 -1.782 8.836 16.256 219 H GLY 53 H GLY 53 1.434 3.645 13.364 220 1HA GLY 53 1HA GLY 53 1.972 2.169 15.210 221 2HA GLY 53 2HA GLY 53 0.531 2.756 16.026 222 H MET 54 H MET 54 -1.008 2.636 13.501 223 HA MET 54 HA MET 54 -1.570 -0.241 13.567 224 1HB MET 54 1HB MET 54 -3.210 2.082 12.533 225 2HB MET 54 2HB MET 54 -3.709 0.398 12.449 226 1HG MET 54 1HG MET 54 -3.671 0.269 14.886 227 2HG MET 54 2HG MET 54 -3.178 1.959 14.964 228 1HE MET 54 1HE MET 54 -4.724 3.997 14.267 229 2HE MET 54 2HE MET 54 -6.314 3.806 13.527 230 3HE MET 54 3HE MET 54 -4.868 3.288 12.658 231 HA PRO 55 HA PRO 55 0.537 -0.129 9.600 232 1HB PRO 55 1HB PRO 55 0.671 -2.989 9.737 233 2HB PRO 55 2HB PRO 55 1.978 -1.828 9.934 234 1HG PRO 55 1HG PRO 55 1.011 -3.410 11.963 235 2HG PRO 55 2HG PRO 55 1.825 -1.854 12.212 236 1HD PRO 55 1HD PRO 55 -1.100 -2.493 12.233 237 2HD PRO 55 2HD PRO 55 -0.177 -1.384 13.271 238 H THR 56 H THR 56 -0.021 -0.684 7.495 239 HA THR 56 HA THR 56 -2.630 -2.012 7.195 240 HB THR 56 HB THR 56 -2.949 -0.471 5.195 241 HG1 THR 56 HG1 THR 56 -0.748 0.267 5.114 242 1HG2 THR 56 1HG2 THR 56 -3.744 1.396 6.581 243 2HG2 THR 56 2HG2 THR 56 -2.833 0.763 7.950 244 3HG2 THR 56 3HG2 THR 56 -4.179 -0.162 7.283 245 H SER 57 H SER 57 -2.165 -3.956 6.355 246 HA SER 57 HA SER 57 -0.184 -4.164 4.211 247 1HB SER 57 1HB SER 57 -0.585 -6.659 4.583 248 2HB SER 57 2HB SER 57 0.131 -5.784 5.940 249 HG SER 57 HG SER 57 -1.509 -6.925 6.838 250 H ASN 58 H ASN 58 -3.583 -4.195 4.773 251 HA ASN 58 HA ASN 58 -4.059 -5.029 1.990 252 1HB ASN 58 1HB ASN 58 -5.016 -6.317 4.055 253 2HB ASN 58 2HB ASN 58 -6.165 -4.997 4.119 254 1HD2 ASN 58 1HD2 ASN 58 -6.783 -7.649 3.776 255 2HD2 ASN 58 2HD2 ASN 58 -7.497 -7.858 2.204 256 H LEU 59 H LEU 59 -6.203 -4.034 1.197 257 HA LEU 59 HA LEU 59 -5.935 -1.181 1.353 258 1HB LEU 59 1HB LEU 59 -7.687 -3.054 -0.204 259 2HB LEU 59 2HB LEU 59 -7.893 -1.326 -0.270 260 HG LEU 59 HG LEU 59 -5.433 -2.849 -1.114 261 1HD1 LEU 59 1HD1 LEU 59 -7.284 -3.065 -2.674 262 2HD1 LEU 59 2HD1 LEU 59 -6.014 -2.044 -3.351 263 3HD1 LEU 59 3HD1 LEU 59 -7.482 -1.313 -2.702 264 1HD2 LEU 59 1HD2 LEU 59 -4.846 -0.685 -0.130 265 2HD2 LEU 59 2HD2 LEU 59 -5.993 0.116 -1.204 266 3HD2 LEU 59 3HD2 LEU 59 -4.574 -0.691 -1.873 267 H THR 60 H THR 60 -8.363 -3.603 2.226 268 HA THR 60 HA THR 60 -10.265 -1.797 3.259 269 HB THR 60 HB THR 60 -9.826 -4.674 4.095 270 HG1 THR 60 HG1 THR 60 -11.567 -4.932 2.412 271 1HG2 THR 60 1HG2 THR 60 -12.237 -4.632 4.569 272 2HG2 THR 60 2HG2 THR 60 -12.286 -2.923 4.133 273 3HG2 THR 60 3HG2 THR 60 -11.366 -3.445 5.545 274 H THR 61 H THR 61 -7.388 -3.261 4.624 275 HA THR 61 HA THR 61 -7.853 -2.609 7.328 276 HB THR 61 HB THR 61 -5.129 -2.634 6.162 277 HG1 THR 61 HG1 THR 61 -6.463 -5.050 6.776 278 1HG2 THR 61 1HG2 THR 61 -4.619 -3.888 8.213 279 2HG2 THR 61 2HG2 THR 61 -6.319 -3.786 8.674 280 3HG2 THR 61 3HG2 THR 61 -5.344 -2.319 8.564 281 H TYR 62 H TYR 62 -6.388 -0.903 4.643 282 HA TYR 62 HA TYR 62 -5.584 1.447 5.969 283 1HB TYR 62 1HB TYR 62 -4.879 0.817 3.689 284 2HB TYR 62 2HB TYR 62 -6.527 1.026 3.119 285 HD1 TYR 62 HD1 TYR 62 -7.463 3.269 2.819 286 HD2 TYR 62 HD2 TYR 62 -3.440 2.712 4.086 287 HE1 TYR 62 HE1 TYR 62 -6.954 5.600 2.217 288 HE2 TYR 62 HE2 TYR 62 -2.926 5.041 3.498 289 HH TYR 62 HH TYR 62 -3.874 6.752 1.859 290 H SER 63 H SER 63 -8.572 0.548 4.308 291 HA SER 63 HA SER 63 -10.044 2.866 4.672 292 1HB SER 63 1HB SER 63 -10.894 -0.008 4.554 293 2HB SER 63 2HB SER 63 -11.965 1.350 4.333 294 HG SER 63 HG SER 63 -10.832 1.916 2.465 295 H ALA 64 H ALA 64 -9.886 -0.045 6.679 296 HA ALA 64 HA ALA 64 -11.764 0.709 8.607 297 1HB ALA 64 1HB ALA 64 -10.954 -1.580 8.335 298 2HB ALA 64 2HB ALA 64 -10.807 -1.030 10.002 299 3HB ALA 64 3HB ALA 64 -9.379 -1.100 8.971 300 H ALA 65 H ALA 65 -8.377 1.479 8.302 301 HA ALA 65 HA ALA 65 -8.146 2.638 10.927 302 1HB ALA 65 1HB ALA 65 -6.180 1.770 9.764 303 2HB ALA 65 2HB ALA 65 -5.988 3.479 10.145 304 3HB ALA 65 3HB ALA 65 -6.382 2.980 8.500 305 H LEU 66 H LEU 66 -8.620 3.802 7.649 306 HA LEU 66 HA LEU 66 -8.628 6.541 8.077 307 1HB LEU 66 1HB LEU 66 -9.093 4.754 5.992 308 2HB LEU 66 2HB LEU 66 -10.581 5.672 6.120 309 HG LEU 66 HG LEU 66 -8.917 6.553 4.483 310 1HD1 LEU 66 1HD1 LEU 66 -10.693 7.952 5.365 311 2HD1 LEU 66 2HD1 LEU 66 -9.219 8.894 5.134 312 3HD1 LEU 66 3HD1 LEU 66 -9.688 8.374 6.753 313 1HD2 LEU 66 1HD2 LEU 66 -6.874 6.120 5.724 314 2HD2 LEU 66 2HD2 LEU 66 -7.377 7.251 6.979 315 3HD2 LEU 66 3HD2 LEU 66 -7.014 7.839 5.358 316 H LYS 67 H LYS 67 -11.138 4.156 8.595 317 HA LYS 67 HA LYS 67 -13.401 5.747 8.797 318 1HB LYS 67 1HB LYS 67 -12.671 3.248 10.336 319 2HB LYS 67 2HB LYS 67 -14.277 3.962 10.310 320 1HG LYS 67 1HG LYS 67 -12.831 3.026 7.844 321 2HG LYS 67 2HG LYS 67 -13.950 2.023 8.770 322 1HD LYS 67 1HD LYS 67 -14.665 4.690 7.546 323 2HD LYS 67 2HD LYS 67 -14.986 3.127 6.791 324 1HE LYS 67 1HE LYS 67 -16.373 2.482 8.682 325 2HE LYS 67 2HE LYS 67 -16.027 4.016 9.478 326 1HZ LYS 67 1HZ LYS 67 -18.186 3.978 8.345 327 2HZ LYS 67 2HZ LYS 67 -17.402 3.744 6.861 328 3HZ LYS 67 3HZ LYS 67 -17.158 5.176 7.727 329 H THR 68 H THR 68 -10.842 5.212 11.134 330 HA THR 68 HA THR 68 -12.380 6.520 13.229 331 HB THR 68 HB THR 68 -10.393 5.938 14.668 332 HG1 THR 68 HG1 THR 68 -9.315 5.352 12.303 333 1HG2 THR 68 1HG2 THR 68 -12.424 4.603 14.649 334 2HG2 THR 68 2HG2 THR 68 -11.008 3.562 14.796 335 3HG2 THR 68 3HG2 THR 68 -11.842 3.706 13.248 336 H ILE 69 H ILE 69 -10.170 7.431 10.857 337 HA ILE 69 HA ILE 69 -8.727 9.394 12.369 338 HB ILE 69 HB ILE 69 -9.016 9.181 9.368 339 1HG1 ILE 69 1HG1 ILE 69 -8.094 7.121 10.276 340 2HG1 ILE 69 2HG1 ILE 69 -6.829 8.028 9.450 341 1HG2 ILE 69 1HG2 ILE 69 -7.016 10.648 11.080 342 2HG2 ILE 69 2HG2 ILE 69 -8.226 11.365 10.015 343 3HG2 ILE 69 3HG2 ILE 69 -6.885 10.441 9.335 344 1HD1 ILE 69 1HD1 ILE 69 -6.042 7.040 11.540 345 2HD1 ILE 69 2HD1 ILE 69 -7.268 7.947 12.429 346 3HD1 ILE 69 3HD1 ILE 69 -5.976 8.802 11.587 347 H SER 70 H SER 70 -9.135 11.541 12.599 348 HA SER 70 HA SER 70 -11.829 12.426 11.970 349 1HB SER 70 1HB SER 70 -9.688 13.945 13.472 350 2HB SER 70 2HB SER 70 -11.434 14.187 13.539 351 HG SER 70 HG SER 70 -9.960 12.654 15.091 352 H VAL 71 H VAL 71 -12.206 14.570 11.016 353 HA VAL 71 HA VAL 71 -10.374 15.261 8.891 354 HB VAL 71 HB VAL 71 -12.741 16.895 9.813 355 1HG1 VAL 71 1HG1 VAL 71 -11.428 16.590 7.112 356 2HG1 VAL 71 2HG1 VAL 71 -11.249 17.961 8.207 357 3HG1 VAL 71 3HG1 VAL 71 -12.816 17.615 7.478 358 1HG2 VAL 71 1HG2 VAL 71 -12.782 14.537 7.932 359 2HG2 VAL 71 2HG2 VAL 71 -14.123 15.646 8.211 360 3HG2 VAL 71 3HG2 VAL 71 -13.538 14.623 9.523 361 H GLY 72 H GLY 72 -8.628 16.490 9.245 362 1HA GLY 72 1HA GLY 72 -7.510 18.421 10.066 363 2HA GLY 72 2HA GLY 72 -8.725 18.553 11.334 364 H GLU 73 H GLU 73 -7.762 15.389 10.895 365 HA GLU 73 HA GLU 73 -6.354 15.328 13.410 366 1HB GLU 73 1HB GLU 73 -7.985 13.563 12.633 367 2HB GLU 73 2HB GLU 73 -6.789 13.101 11.440 368 1HG GLU 73 1HG GLU 73 -6.630 11.584 13.244 369 2HG GLU 73 2HG GLU 73 -5.206 12.618 13.284 370 H VAL 74 H VAL 74 -4.200 14.687 13.663 371 HA VAL 74 HA VAL 74 -2.564 14.893 11.226 372 HB VAL 74 HB VAL 74 -1.720 15.431 14.089 373 1HG1 VAL 74 1HG1 VAL 74 0.363 16.254 13.116 374 2HG1 VAL 74 2HG1 VAL 74 -0.208 15.808 11.508 375 3HG1 VAL 74 3HG1 VAL 74 0.098 14.556 12.713 376 1HG2 VAL 74 1HG2 VAL 74 -2.232 17.342 11.812 377 2HG2 VAL 74 2HG2 VAL 74 -1.557 17.778 13.382 378 3HG2 VAL 74 3HG2 VAL 74 -3.209 17.169 13.270 379 H ILE 75 H ILE 75 -2.031 12.919 10.557 380 HA ILE 75 HA ILE 75 -1.722 10.803 12.559 381 HB ILE 75 HB ILE 75 -1.875 9.249 10.581 382 1HG1 ILE 75 1HG1 ILE 75 -2.782 11.778 9.182 383 2HG1 ILE 75 2HG1 ILE 75 -1.307 10.882 8.830 384 1HG2 ILE 75 1HG2 ILE 75 -3.730 9.623 12.102 385 2HG2 ILE 75 2HG2 ILE 75 -4.321 9.450 10.447 386 3HG2 ILE 75 3HG2 ILE 75 -4.221 11.048 11.182 387 1HD1 ILE 75 1HD1 ILE 75 -4.120 9.870 8.478 388 2HD1 ILE 75 2HD1 ILE 75 -2.645 8.966 8.130 389 3HD1 ILE 75 3HD1 ILE 75 -3.031 10.412 7.199 390 H ASN 76 H ASN 76 -0.057 9.277 12.349 391 HA ASN 76 HA ASN 76 2.445 10.478 11.388 392 1HB ASN 76 1HB ASN 76 2.502 10.244 13.746 393 2HB ASN 76 2HB ASN 76 1.748 8.662 13.683 394 1HD2 ASN 76 1HD2 ASN 76 2.960 6.877 13.360 395 2HD2 ASN 76 2HD2 ASN 76 4.691 6.882 13.369 396 H ILE 77 H ILE 77 2.934 9.629 9.471 397 HA ILE 77 HA ILE 77 2.265 6.798 8.974 398 HB ILE 77 HB ILE 77 2.714 9.017 6.972 399 1HG1 ILE 77 1HG1 ILE 77 0.178 7.583 7.799 400 2HG1 ILE 77 2HG1 ILE 77 0.600 9.241 8.221 401 1HG2 ILE 77 1HG2 ILE 77 2.003 7.410 5.291 402 2HG2 ILE 77 2HG2 ILE 77 1.829 6.168 6.532 403 3HG2 ILE 77 3HG2 ILE 77 3.425 6.814 6.149 404 1HD1 ILE 77 1HD1 ILE 77 -0.999 9.191 6.402 405 2HD1 ILE 77 2HD1 ILE 77 0.086 8.177 5.451 406 3HD1 ILE 77 3HD1 ILE 77 0.546 9.834 5.840 407 H THR 78 H THR 78 3.939 5.548 9.304 408 HA THR 78 HA THR 78 6.627 6.398 8.652 409 HB THR 78 HB THR 78 5.608 3.713 9.617 410 HG1 THR 78 HG1 THR 78 6.794 5.909 10.995 411 1HG2 THR 78 1HG2 THR 78 8.423 4.808 9.504 412 2HG2 THR 78 2HG2 THR 78 7.770 3.542 8.463 413 3HG2 THR 78 3HG2 THR 78 7.943 3.261 10.196 414 H THR 79 H THR 79 7.282 6.327 6.608 415 HA THR 79 HA THR 79 6.076 4.341 4.825 416 HB THR 79 HB THR 79 6.836 5.692 2.958 417 HG1 THR 79 HG1 THR 79 8.059 7.301 4.978 418 1HG2 THR 79 1HG2 THR 79 5.503 7.411 5.053 419 2HG2 THR 79 2HG2 THR 79 4.689 6.297 3.953 420 3HG2 THR 79 3HG2 THR 79 5.514 7.718 3.315 421 H ASP 80 H ASP 80 7.651 3.754 3.013 422 HA ASP 80 HA ASP 80 9.584 2.037 3.921 423 1HB ASP 80 1HB ASP 80 8.698 1.805 1.722 424 2HB ASP 80 2HB ASP 80 9.242 3.414 1.259 425 H GLN 81 H GLN 81 9.939 5.462 3.223 426 HA GLN 81 HA GLN 81 12.840 5.196 3.625 427 1HB GLN 81 1HB GLN 81 11.236 6.867 1.756 428 2HB GLN 81 2HB GLN 81 12.774 7.497 2.335 429 1HG GLN 81 1HG GLN 81 13.977 6.063 1.103 430 2HG GLN 81 2HG GLN 81 12.859 4.726 1.374 431 1HE2 GLN 81 1HE2 GLN 81 11.293 4.299 -0.101 432 2HE2 GLN 81 2HE2 GLN 81 11.136 5.150 -1.604 433 H GLY 82 H GLY 82 10.450 5.870 5.497 434 1HA GLY 82 1HA GLY 82 11.555 6.974 7.575 435 2HA GLY 82 2HA GLY 82 11.530 8.398 6.547 436 H THR 83 H THR 83 10.296 8.582 8.916 437 HA THR 83 HA THR 83 7.453 8.051 8.497 438 HB THR 83 HB THR 83 8.828 9.180 10.942 439 HG1 THR 83 HG1 THR 83 8.481 6.980 11.742 440 1HG2 THR 83 1HG2 THR 83 6.087 7.967 10.576 441 2HG2 THR 83 2HG2 THR 83 6.437 9.681 10.806 442 3HG2 THR 83 3HG2 THR 83 6.776 8.531 12.100 443 H PHE 84 H PHE 84 6.003 9.609 8.049 444 HA PHE 84 HA PHE 84 6.869 12.418 8.252 445 1HB PHE 84 1HB PHE 84 5.043 11.238 6.146 446 2HB PHE 84 2HB PHE 84 5.500 12.930 6.283 447 HD1 PHE 84 HD1 PHE 84 6.329 9.761 4.896 448 HD2 PHE 84 HD2 PHE 84 7.972 13.516 6.039 449 HE1 PHE 84 HE1 PHE 84 8.270 9.348 3.441 450 HE2 PHE 84 HE2 PHE 84 9.917 13.111 4.586 451 HZ PHE 84 HZ PHE 84 10.068 11.025 3.284 452 H HIS 85 H HIS 85 5.152 13.940 8.661 453 HA HIS 85 HA HIS 85 2.866 12.709 10.026 454 1HB HIS 85 1HB HIS 85 2.643 15.024 11.126 455 2HB HIS 85 2HB HIS 85 3.930 13.969 11.676 456 HD1 HIS 85 HD1 HIS 85 6.002 15.228 12.097 457 HD2 HIS 85 HD2 HIS 85 3.821 16.888 8.964 458 HE1 HIS 85 HE1 HIS 85 7.344 17.201 11.299 459 HE2 HIS 85 HE2 HIS 85 5.908 18.305 9.545 460 H LEU 86 H LEU 86 0.975 12.859 9.094 461 HA LEU 86 HA LEU 86 0.627 14.843 6.960 462 1HB LEU 86 1HB LEU 86 -0.198 12.022 7.327 463 2HB LEU 86 2HB LEU 86 -1.313 13.069 6.499 464 HG LEU 86 HG LEU 86 0.016 11.902 4.874 465 1HD1 LEU 86 1HD1 LEU 86 0.991 13.777 3.651 466 2HD1 LEU 86 2HD1 LEU 86 0.892 14.774 5.104 467 3HD1 LEU 86 3HD1 LEU 86 -0.583 14.187 4.335 468 1HD2 LEU 86 1HD2 LEU 86 2.436 12.108 4.772 469 2HD2 LEU 86 2HD2 LEU 86 1.930 11.384 6.299 470 3HD2 LEU 86 3HD2 LEU 86 2.429 13.074 6.247 471 H LYS 87 H LYS 87 -1.253 16.028 6.853 472 HA LYS 87 HA LYS 87 -3.036 15.837 9.184 473 1HB LYS 87 1HB LYS 87 -1.796 18.021 8.870 474 2HB LYS 87 2HB LYS 87 -2.687 18.231 7.368 475 1HG LYS 87 1HG LYS 87 -4.798 18.062 8.709 476 2HG LYS 87 2HG LYS 87 -3.794 18.123 10.158 477 1HD LYS 87 1HD LYS 87 -2.882 20.291 9.373 478 2HD LYS 87 2HD LYS 87 -4.009 20.238 8.015 479 1HE LYS 87 1HE LYS 87 -5.871 20.075 9.691 480 2HE LYS 87 2HE LYS 87 -4.675 20.375 10.950 481 1HZ LYS 87 1HZ LYS 87 -5.677 22.434 10.430 482 2HZ LYS 87 2HZ LYS 87 -5.493 22.199 8.763 483 3HZ LYS 87 3HZ LYS 87 -4.133 22.481 9.733 484 H THR 88 H THR 88 -5.031 15.116 8.788 485 HA THR 88 HA THR 88 -5.797 14.556 6.067 486 HB THR 88 HB THR 88 -7.899 13.673 7.229 487 HG1 THR 88 HG1 THR 88 -7.881 13.616 9.415 488 1HG2 THR 88 1HG2 THR 88 -6.008 12.257 6.497 489 2HG2 THR 88 2HG2 THR 88 -6.767 11.658 7.970 490 3HG2 THR 88 3HG2 THR 88 -5.232 12.523 8.056 491 H GLY 89 H GLY 89 -7.182 15.643 4.820 492 1HA GLY 89 1HA GLY 89 -8.766 17.806 6.062 493 2HA GLY 89 2HA GLY 89 -7.899 18.039 4.551 494 H ARG 90 H ARG 90 -9.199 18.023 2.877 495 HA ARG 90 HA ARG 90 -11.145 15.892 2.563 496 1HB ARG 90 1HB ARG 90 -13.008 17.331 2.086 497 2HB ARG 90 2HB ARG 90 -12.370 17.794 3.655 498 1HG ARG 90 1HG ARG 90 -11.635 19.238 1.123 499 2HG ARG 90 2HG ARG 90 -13.038 19.672 2.098 500 1HD ARG 90 1HD ARG 90 -11.686 20.256 3.948 501 2HD ARG 90 2HD ARG 90 -10.260 19.508 3.231 502 HE ARG 90 HE ARG 90 -11.247 21.585 1.570 503 1HH1 ARG 90 1HH1 ARG 90 -9.594 21.090 4.613 504 2HH1 ARG 90 2HH1 ARG 90 -8.633 22.536 4.477 505 1HH2 ARG 90 1HH2 ARG 90 -9.982 23.479 1.371 506 2HH2 ARG 90 2HH2 ARG 90 -8.828 23.884 2.606 507 H ASN 91 H ASN 91 -12.134 16.049 0.295 508 HA ASN 91 HA ASN 91 -10.056 16.404 -1.624 509 1HB ASN 91 1HB ASN 91 -12.953 15.661 -1.765 510 2HB ASN 91 2HB ASN 91 -12.111 16.115 -3.240 511 1HD2 ASN 91 1HD2 ASN 91 -10.586 14.775 -4.094 512 2HD2 ASN 91 2HD2 ASN 91 -10.346 13.153 -3.542 513 HA PRO 92 HA PRO 92 -10.466 20.697 -2.427 514 1HB PRO 92 1HB PRO 92 -9.586 20.763 -5.019 515 2HB PRO 92 2HB PRO 92 -8.518 20.601 -3.620 516 1HG PRO 92 1HG PRO 92 -9.572 18.482 -5.453 517 2HG PRO 92 2HG PRO 92 -7.938 18.683 -4.793 518 1HD PRO 92 1HD PRO 92 -9.672 16.912 -3.757 519 2HD PRO 92 2HD PRO 92 -8.521 17.796 -2.733 520 H ASN 93 H ASN 93 -12.012 18.383 -4.568 521 HA ASN 93 HA ASN 93 -13.941 20.479 -5.343 522 1HB ASN 93 1HB ASN 93 -12.345 19.781 -7.176 523 2HB ASN 93 2HB ASN 93 -13.068 18.180 -7.100 524 1HD2 ASN 93 1HD2 ASN 93 -14.721 21.297 -6.804 525 2HD2 ASN 93 2HD2 ASN 93 -15.691 21.099 -8.229 526 H ASN 94 H ASN 94 -13.797 18.143 -3.297 527 HA ASN 94 HA ASN 94 -16.511 17.217 -3.755 528 1HB ASN 94 1HB ASN 94 -14.837 15.626 -4.927 529 2HB ASN 94 2HB ASN 94 -14.382 15.135 -3.300 530 1HD2 ASN 94 1HD2 ASN 94 -15.633 13.625 -5.472 531 2HD2 ASN 94 2HD2 ASN 94 -17.106 12.996 -4.829 532 H SER 95 H SER 95 -17.568 16.898 -1.855 533 HA SER 95 HA SER 95 -16.126 17.571 0.557 534 1HB SER 95 1HB SER 95 -19.044 16.840 0.330 535 2HB SER 95 2HB SER 95 -18.265 17.809 1.582 536 HG SER 95 HG SER 95 -18.732 18.480 -1.134 537 H SER 96 H SER 96 -14.813 15.801 0.936 538 HA SER 96 HA SER 96 -16.211 13.388 1.873 539 1HB SER 96 1HB SER 96 -13.498 13.468 0.523 540 2HB SER 96 2HB SER 96 -14.348 12.027 1.084 541 HG SER 96 HG SER 96 -15.981 13.390 -0.524 542 H ARG 97 H ARG 97 -15.611 12.627 3.848 543 HA ARG 97 HA ARG 97 -14.173 14.427 5.550 544 1HB ARG 97 1HB ARG 97 -14.669 12.749 7.323 545 2HB ARG 97 2HB ARG 97 -16.096 13.284 6.444 546 1HG ARG 97 1HG ARG 97 -16.210 11.256 5.223 547 2HG ARG 97 2HG ARG 97 -14.617 10.751 5.789 548 1HD ARG 97 1HD ARG 97 -16.995 11.176 7.588 549 2HD ARG 97 2HD ARG 97 -16.533 9.613 6.917 550 HE ARG 97 HE ARG 97 -14.602 11.119 8.552 551 1HH1 ARG 97 1HH1 ARG 97 -16.716 8.362 8.137 552 2HH1 ARG 97 2HH1 ARG 97 -15.983 7.438 9.406 553 1HH2 ARG 97 1HH2 ARG 97 -13.623 9.907 10.223 554 2HH2 ARG 97 2HH2 ARG 97 -14.202 8.311 10.593 555 H ALA 98 H ALA 98 -12.147 14.325 6.265 556 HA ALA 98 HA ALA 98 -10.024 13.671 6.675 557 1HB ALA 98 1HB ALA 98 -11.128 12.149 8.206 558 2HB ALA 98 2HB ALA 98 -9.689 11.402 7.510 559 3HB ALA 98 3HB ALA 98 -11.290 10.949 6.923 560 H TYR 99 H TYR 99 -9.508 14.247 4.423 561 HA TYR 99 HA TYR 99 -8.497 11.882 3.011 562 1HB TYR 99 1HB TYR 99 -10.717 12.882 2.058 563 2HB TYR 99 2HB TYR 99 -9.674 14.159 1.440 564 HD1 TYR 99 HD1 TYR 99 -8.337 13.812 -0.480 565 HD2 TYR 99 HD2 TYR 99 -10.326 10.522 1.331 566 HE1 TYR 99 HE1 TYR 99 -7.778 12.416 -2.424 567 HE2 TYR 99 HE2 TYR 99 -9.776 9.112 -0.603 568 HH TYR 99 HH TYR 99 -7.472 9.877 -2.847 569 H MET 100 H MET 100 -6.466 12.112 2.228 570 HA MET 100 HA MET 100 -5.070 14.547 2.947 571 1HB MET 100 1HB MET 100 -4.062 11.905 1.882 572 2HB MET 100 2HB MET 100 -3.021 13.264 2.273 573 1HG MET 100 1HG MET 100 -2.936 11.787 4.109 574 2HG MET 100 2HG MET 100 -3.918 13.159 4.610 575 1HE MET 100 1HE MET 100 -5.588 9.001 3.515 576 2HE MET 100 2HE MET 100 -3.870 9.378 3.618 577 3HE MET 100 3HE MET 100 -4.849 10.078 2.328 578 H GLY 101 H GLY 101 -6.457 13.230 0.140 579 1HA GLY 101 1HA GLY 101 -6.727 14.405 -1.874 580 2HA GLY 101 2HA GLY 101 -5.378 15.438 -1.423 581 H ILE 102 H ILE 102 -5.204 11.946 -1.340 582 HA ILE 102 HA ILE 102 -3.564 11.937 -3.782 583 HB ILE 102 HB ILE 102 -1.901 10.493 -2.713 584 1HG1 ILE 102 1HG1 ILE 102 -3.411 11.059 -0.147 585 2HG1 ILE 102 2HG1 ILE 102 -3.381 9.511 -0.986 586 1HG2 ILE 102 1HG2 ILE 102 -0.808 12.170 -1.298 587 2HG2 ILE 102 2HG2 ILE 102 -2.320 13.073 -1.202 588 3HG2 ILE 102 3HG2 ILE 102 -1.495 12.901 -2.750 589 1HD1 ILE 102 1HD1 ILE 102 -1.004 9.319 -0.583 590 2HD1 ILE 102 2HD1 ILE 102 -1.879 9.554 0.933 591 3HD1 ILE 102 3HD1 ILE 102 -0.994 10.896 0.205 592 H ARG 103 H ARG 103 -3.159 9.723 -4.566 593 HA ARG 103 HA ARG 103 -5.454 7.968 -4.057 594 1HB ARG 103 1HB ARG 103 -3.443 8.154 -6.280 595 2HB ARG 103 2HB ARG 103 -4.358 6.678 -6.033 596 1HG ARG 103 1HG ARG 103 -6.444 8.035 -6.261 597 2HG ARG 103 2HG ARG 103 -5.418 9.400 -6.720 598 1HD ARG 103 1HD ARG 103 -4.582 8.240 -8.618 599 2HD ARG 103 2HD ARG 103 -5.319 6.727 -8.101 600 HE ARG 103 HE ARG 103 -6.914 9.069 -8.937 601 1HH1 ARG 103 1HH1 ARG 103 -6.190 5.645 -9.045 602 2HH1 ARG 103 2HH1 ARG 103 -7.538 5.260 -10.069 603 1HH2 ARG 103 1HH2 ARG 103 -8.710 8.550 -10.284 604 2HH2 ARG 103 2HH2 ARG 103 -8.958 6.894 -10.768 605 H THR 104 H THR 104 -5.091 5.698 -3.674 606 HA THR 104 HA THR 104 -2.374 4.964 -2.874 607 HB THR 104 HB THR 104 -4.702 4.186 -1.141 608 HG1 THR 104 HG1 THR 104 -3.414 6.627 -1.302 609 1HG2 THR 104 1HG2 THR 104 -2.947 3.882 0.554 610 2HG2 THR 104 2HG2 THR 104 -1.735 4.367 -0.631 611 3HG2 THR 104 3HG2 THR 104 -2.661 2.887 -0.873 612 H SER 105 H SER 105 -1.959 2.759 -2.919 613 HA SER 105 HA SER 105 -3.969 0.989 -4.084 614 1HB SER 105 1HB SER 105 -1.219 1.406 -5.301 615 2HB SER 105 2HB SER 105 -2.443 0.265 -5.861 616 HG SER 105 HG SER 105 -2.191 2.472 -6.913 617 H ASN 106 H ASN 106 -2.787 -1.296 -4.322 618 HA ASN 106 HA ASN 106 -1.367 -1.750 -1.795 619 1HB ASN 106 1HB ASN 106 -1.993 -4.192 -2.260 620 2HB ASN 106 2HB ASN 106 -3.296 -3.100 -1.818 621 1HD2 ASN 106 1HD2 ASN 106 -4.786 -4.511 -2.750 622 2HD2 ASN 106 2HD2 ASN 106 -4.996 -4.593 -4.463 623 H HIS 107 H HIS 107 -1.041 -1.909 -5.215 624 HA HIS 107 HA HIS 107 0.625 -2.541 -6.636 625 1HB HIS 107 1HB HIS 107 1.771 -0.806 -5.197 626 2HB HIS 107 2HB HIS 107 2.448 -2.130 -4.260 627 HD1 HIS 107 HD1 HIS 107 4.521 -3.242 -5.166 628 HD2 HIS 107 HD2 HIS 107 2.759 -0.657 -7.897 629 HE1 HIS 107 HE1 HIS 107 6.183 -3.008 -7.034 630 HE2 HIS 107 HE2 HIS 107 5.158 -1.329 -8.608 631 H LEU 108 H LEU 108 -0.717 -4.680 -5.614 632 HA LEU 108 HA LEU 108 1.143 -6.597 -4.528 633 1HB LEU 108 1HB LEU 108 -1.719 -6.898 -5.428 634 2HB LEU 108 2HB LEU 108 -0.777 -8.182 -4.705 635 HG LEU 108 HG LEU 108 -1.530 -5.600 -3.373 636 1HD1 LEU 108 1HD1 LEU 108 -2.492 -8.414 -2.905 637 2HD1 LEU 108 2HD1 LEU 108 -3.422 -7.113 -3.649 638 3HD1 LEU 108 3HD1 LEU 108 -2.945 -6.998 -1.955 639 1HD2 LEU 108 1HD2 LEU 108 -0.010 -7.981 -2.334 640 2HD2 LEU 108 2HD2 LEU 108 -0.610 -6.652 -1.342 641 3HD2 LEU 108 3HD2 LEU 108 0.619 -6.351 -2.571 642 H ARG 109 H ARG 109 0.326 -8.912 -5.766 643 HA ARG 109 HA ARG 109 1.887 -8.693 -8.228 644 1HB ARG 109 1HB ARG 109 1.078 -11.217 -6.773 645 2HB ARG 109 2HB ARG 109 2.342 -11.034 -7.984 646 1HG ARG 109 1HG ARG 109 3.596 -9.601 -6.433 647 2HG ARG 109 2HG ARG 109 2.343 -9.854 -5.217 648 1HD ARG 109 1HD ARG 109 2.790 -12.316 -5.413 649 2HD ARG 109 2HD ARG 109 4.187 -11.909 -6.410 650 HE ARG 109 HE ARG 109 3.857 -11.295 -3.553 651 1HH1 ARG 109 1HH1 ARG 109 5.886 -11.422 -6.396 652 2HH1 ARG 109 2HH1 ARG 109 7.371 -11.264 -5.506 653 1HH2 ARG 109 1HH2 ARG 109 5.785 -11.099 -2.366 654 2HH2 ARG 109 2HH2 ARG 109 7.315 -11.118 -3.201 655 H VAL 110 H VAL 110 0.645 -8.288 -9.924 656 HA VAL 110 HA VAL 110 -2.068 -9.338 -10.075 657 HB VAL 110 HB VAL 110 -0.619 -7.405 -11.886 658 1HG1 VAL 110 1HG1 VAL 110 -2.397 -8.524 -13.073 659 2HG1 VAL 110 2HG1 VAL 110 -2.851 -6.852 -12.747 660 3HG1 VAL 110 3HG1 VAL 110 -3.532 -8.156 -11.774 661 1HG2 VAL 110 1HG2 VAL 110 -2.637 -6.877 -9.708 662 2HG2 VAL 110 2HG2 VAL 110 -1.958 -5.671 -10.801 663 3HG2 VAL 110 3HG2 VAL 110 -0.914 -6.500 -9.645 664 H ARG 111 H ARG 111 -2.753 -10.815 -11.519 665 HA ARG 111 HA ARG 111 -1.191 -11.456 -13.873 666 1HB ARG 111 1HB ARG 111 -0.367 -12.993 -12.036 667 2HB ARG 111 2HB ARG 111 -1.988 -13.667 -11.964 668 1HG ARG 111 1HG ARG 111 -1.795 -14.337 -14.319 669 2HG ARG 111 2HG ARG 111 -0.147 -13.710 -14.347 670 1HD ARG 111 1HD ARG 111 0.408 -15.297 -12.499 671 2HD ARG 111 2HD ARG 111 -1.206 -15.985 -12.674 672 HE ARG 111 HE ARG 111 0.537 -15.918 -15.025 673 1HH1 ARG 111 1HH1 ARG 111 -0.955 -17.812 -12.474 674 2HH1 ARG 111 2HH1 ARG 111 -0.719 -19.329 -13.294 675 1HH2 ARG 111 1HH2 ARG 111 0.880 -17.879 -16.075 676 2HH2 ARG 111 2HH2 ARG 111 0.342 -19.370 -15.353 677 H ASP 112 H ASP 112 -2.527 -11.991 -15.549 678 HA ASP 112 HA ASP 112 -5.354 -11.708 -15.061 679 1HB ASP 112 1HB ASP 112 -4.335 -10.527 -16.972 680 2HB ASP 112 2HB ASP 112 -3.865 -12.074 -17.672 681 H SER 113 H SER 113 -6.420 -13.407 -14.439 682 HA SER 113 HA SER 113 -5.622 -16.073 -15.245 683 1HB SER 113 1HB SER 113 -7.569 -16.673 -13.637 684 2HB SER 113 2HB SER 113 -6.084 -16.004 -12.959 685 HG SER 113 HG SER 113 -7.189 -14.357 -12.277 686 H VAL 114 H VAL 114 -6.369 -16.886 -17.060 687 HA VAL 114 HA VAL 114 -9.164 -16.351 -17.805 688 HB VAL 114 HB VAL 114 -8.396 -17.075 -20.141 689 1HG1 VAL 114 1HG1 VAL 114 -9.058 -14.803 -19.625 690 2HG1 VAL 114 2HG1 VAL 114 -7.655 -14.789 -20.694 691 3HG1 VAL 114 3HG1 VAL 114 -7.456 -14.458 -18.972 692 1HG2 VAL 114 1HG2 VAL 114 -6.209 -17.953 -19.520 693 2HG2 VAL 114 2HG2 VAL 114 -5.714 -16.356 -18.955 694 3HG2 VAL 114 3HG2 VAL 114 -6.042 -16.626 -20.667 695 H ALA 115 H ALA 115 -10.258 -17.997 -17.014 696 HA ALA 115 HA ALA 115 -10.038 -20.598 -18.094 697 1HB ALA 115 1HB ALA 115 -8.133 -20.795 -16.585 698 2HB ALA 115 2HB ALA 115 -9.455 -21.840 -16.058 699 3HB ALA 115 3HB ALA 115 -9.147 -20.316 -15.223 700 H SER 116 H SER 116 -12.182 -20.678 -18.414 701 HA SER 116 HA SER 116 -13.888 -20.440 -16.027 702 1HB SER 116 1HB SER 116 -14.126 -18.560 -17.739 703 2HB SER 116 2HB SER 116 -14.797 -19.774 -18.826 704 HG SER 116 HG SER 116 -15.827 -18.850 -16.350 705 H VAL 117 H VAL 117 -14.501 -22.424 -15.487 706 HA VAL 117 HA VAL 117 -14.921 -24.435 -17.562 707 HB VAL 117 HB VAL 117 -15.055 -24.744 -14.560 708 1HG1 VAL 117 1HG1 VAL 117 -14.935 -26.807 -16.758 709 2HG1 VAL 117 2HG1 VAL 117 -16.328 -26.451 -15.735 710 3HG1 VAL 117 3HG1 VAL 117 -14.871 -27.149 -15.029 711 1HG2 VAL 117 1HG2 VAL 117 -12.809 -25.383 -16.467 712 2HG2 VAL 117 2HG2 VAL 117 -12.842 -25.788 -14.750 713 3HG2 VAL 117 3HG2 VAL 117 -12.817 -24.100 -15.257 714 H LEU 118 H LEU 118 -16.880 -24.742 -18.391 715 HA LEU 118 HA LEU 118 -19.207 -23.653 -17.018 716 1HB LEU 118 1HB LEU 118 -18.942 -24.909 -19.754 717 2HB LEU 118 2HB LEU 118 -20.402 -24.183 -19.113 718 HG LEU 118 HG LEU 118 -17.823 -22.718 -19.677 719 1HD1 LEU 118 1HD1 LEU 118 -19.114 -21.652 -21.475 720 2HD1 LEU 118 2HD1 LEU 118 -20.465 -22.727 -21.125 721 3HD1 LEU 118 3HD1 LEU 118 -18.945 -23.391 -21.721 722 1HD2 LEU 118 1HD2 LEU 118 -19.122 -20.699 -19.212 723 2HD2 LEU 118 2HD2 LEU 118 -19.056 -21.751 -17.798 724 3HD2 LEU 118 3HD2 LEU 118 -20.516 -21.689 -18.785 725 H GLY 119 H GLY 119 -18.767 -26.643 -18.888 726 1HA GLY 119 1HA GLY 119 -19.034 -28.815 -17.737 727 2HA GLY 119 2HA GLY 119 -20.318 -28.048 -16.809 728 H ASP 120 H ASP 120 -19.989 -30.284 -19.015 729 HA ASP 120 HA ASP 120 -22.102 -29.289 -20.794 730 1HB ASP 120 1HB ASP 120 -20.084 -31.500 -21.148 731 2HB ASP 120 2HB ASP 120 -21.497 -31.349 -22.186 732 H THR 121 H THR 121 -23.755 -29.580 -19.306 733 HA THR 121 HA THR 121 -24.379 -32.282 -18.444 734 HB THR 121 HB THR 121 -26.425 -30.985 -17.467 735 HG1 THR 121 HG1 THR 121 -26.266 -28.956 -18.205 736 1HG2 THR 121 1HG2 THR 121 -24.647 -32.019 -16.141 737 2HG2 THR 121 2HG2 THR 121 -25.128 -30.462 -15.463 738 3HG2 THR 121 3HG2 THR 121 -23.635 -30.597 -16.392 739 H LEU 122 H LEU 122 -25.244 -33.518 -19.973 740 HA LEU 122 HA LEU 122 -27.149 -32.360 -21.876 741 1HB LEU 122 1HB LEU 122 -25.896 -35.112 -21.886 742 2HB LEU 122 2HB LEU 122 -26.810 -34.371 -23.185 743 HG LEU 122 HG LEU 122 -24.111 -33.446 -22.194 744 1HD1 LEU 122 1HD1 LEU 122 -23.983 -35.554 -23.397 745 2HD1 LEU 122 2HD1 LEU 122 -23.311 -34.245 -24.369 746 3HD1 LEU 122 3HD1 LEU 122 -24.920 -34.871 -24.728 747 1HD2 LEU 122 1HD2 LEU 122 -24.165 -31.954 -24.139 748 2HD2 LEU 122 2HD2 LEU 122 -25.463 -31.591 -23.000 749 3HD2 LEU 122 3HD2 LEU 122 -25.813 -32.474 -24.486 750 HA PRO 123 HA PRO 123 -30.081 -34.360 -19.110 751 1HB PRO 123 1HB PRO 123 -32.125 -32.593 -19.927 752 2HB PRO 123 2HB PRO 123 -31.098 -32.441 -18.504 753 1HG PRO 123 1HG PRO 123 -31.105 -30.740 -20.732 754 2HG PRO 123 2HG PRO 123 -29.871 -30.799 -19.462 755 1HD PRO 123 1HD PRO 123 -29.851 -32.005 -22.189 756 2HD PRO 123 2HD PRO 123 -28.506 -31.356 -21.227 757 H PHE 124 H PHE 124 -30.607 -36.303 -19.938 758 HA PHE 124 HA PHE 124 -33.006 -36.315 -21.574 759 1HB PHE 124 1HB PHE 124 -32.139 -38.235 -22.952 760 2HB PHE 124 2HB PHE 124 -31.398 -36.682 -23.300 761 HD1 PHE 124 HD1 PHE 124 -29.079 -36.245 -22.690 762 HD2 PHE 124 HD2 PHE 124 -30.878 -40.048 -22.021 763 HE1 PHE 124 HE1 PHE 124 -26.854 -37.246 -22.403 764 HE2 PHE 124 HE2 PHE 124 -28.650 -41.052 -21.727 765 HZ PHE 124 HZ PHE 124 -26.637 -39.653 -21.920 766 H ALA 125 H ALA 125 -34.466 -37.704 -20.804 767 HA ALA 125 HA ALA 125 -33.617 -39.871 -19.051 768 1HB ALA 125 1HB ALA 125 -33.840 -37.930 -17.572 769 2HB ALA 125 2HB ALA 125 -35.077 -39.140 -17.234 770 3HB ALA 125 3HB ALA 125 -35.492 -37.685 -18.142 Start of MODEL 4 1 H GLN 23 H GLN 23 -2.771 -11.840 -1.410 2 HA GLN 23 HA GLN 23 -2.879 -11.441 1.390 3 1HB GLN 23 1HB GLN 23 -0.486 -12.144 -0.316 4 2HB GLN 23 2HB GLN 23 -0.650 -12.403 1.416 5 1HG GLN 23 1HG GLN 23 -2.421 -14.009 1.042 6 2HG GLN 23 2HG GLN 23 -2.355 -13.712 -0.694 7 1HE2 GLN 23 1HE2 GLN 23 -1.994 -16.200 0.724 8 2HE2 GLN 23 2HE2 GLN 23 -0.406 -16.769 0.330 9 HA PRO 24 HA PRO 24 -1.652 -7.237 1.572 10 1HB PRO 24 1HB PRO 24 -0.738 -7.841 4.311 11 2HB PRO 24 2HB PRO 24 -1.996 -6.729 3.764 12 1HG PRO 24 1HG PRO 24 -2.613 -9.019 4.999 13 2HG PRO 24 2HG PRO 24 -3.610 -8.381 3.675 14 1HD PRO 24 1HD PRO 24 -1.564 -10.573 3.624 15 2HD PRO 24 2HD PRO 24 -3.158 -10.501 2.842 16 H ASP 25 H ASP 25 0.154 -5.876 1.676 17 HA ASP 25 HA ASP 25 2.751 -6.971 2.366 18 1HB ASP 25 1HB ASP 25 2.317 -7.611 -0.057 19 2HB ASP 25 2HB ASP 25 2.366 -5.889 -0.424 20 H GLY 26 H GLY 26 0.972 -4.296 0.918 21 1HA GLY 26 1HA GLY 26 1.464 -2.318 2.673 22 2HA GLY 26 2HA GLY 26 2.955 -2.358 1.743 23 H VAL 27 H VAL 27 0.410 -0.553 2.008 24 HA VAL 27 HA VAL 27 -0.698 -0.529 -0.622 25 HB VAL 27 HB VAL 27 -1.775 1.600 0.061 26 1HG1 VAL 27 1HG1 VAL 27 -3.170 0.618 1.838 27 2HG1 VAL 27 2HG1 VAL 27 -1.988 -0.676 2.028 28 3HG1 VAL 27 3HG1 VAL 27 -2.876 -0.510 0.514 29 1HG2 VAL 27 1HG2 VAL 27 -0.010 2.464 1.508 30 2HG2 VAL 27 2HG2 VAL 27 -0.305 1.160 2.658 31 3HG2 VAL 27 3HG2 VAL 27 -1.547 2.380 2.368 32 H GLN 28 H GLN 28 -0.320 0.787 -2.318 33 HA GLN 28 HA GLN 28 2.228 2.274 -2.210 34 1HB GLN 28 1HB GLN 28 2.436 0.540 -3.758 35 2HB GLN 28 2HB GLN 28 0.818 0.771 -4.389 36 1HG GLN 28 1HG GLN 28 2.379 1.466 -6.038 37 2HG GLN 28 2HG GLN 28 1.590 2.905 -5.401 38 1HE2 GLN 28 1HE2 GLN 28 4.544 1.047 -5.457 39 2HE2 GLN 28 2HE2 GLN 28 5.575 2.314 -4.896 40 H ILE 29 H ILE 29 2.299 4.365 -2.620 41 HA ILE 29 HA ILE 29 -0.115 5.863 -2.989 42 HB ILE 29 HB ILE 29 2.748 6.790 -3.206 43 1HG1 ILE 29 1HG1 ILE 29 0.817 6.900 -0.876 44 2HG1 ILE 29 2HG1 ILE 29 2.231 5.857 -0.997 45 1HG2 ILE 29 1HG2 ILE 29 0.208 8.381 -2.880 46 2HG2 ILE 29 2HG2 ILE 29 1.208 8.303 -4.331 47 3HG2 ILE 29 3HG2 ILE 29 1.844 9.038 -2.858 48 1HD1 ILE 29 1HD1 ILE 29 3.673 7.835 -1.026 49 2HD1 ILE 29 2HD1 ILE 29 2.679 7.760 0.429 50 3HD1 ILE 29 3HD1 ILE 29 2.247 8.863 -0.876 51 H ASP 30 H ASP 30 -1.123 5.735 -4.858 52 HA ASP 30 HA ASP 30 0.035 5.048 -7.335 53 1HB ASP 30 1HB ASP 30 -2.356 4.727 -6.828 54 2HB ASP 30 2HB ASP 30 -2.578 6.468 -6.777 55 H SER 31 H SER 31 -1.493 8.103 -6.428 56 HA SER 31 HA SER 31 0.676 9.623 -7.549 57 1HB SER 31 1HB SER 31 -0.929 10.862 -9.107 58 2HB SER 31 2HB SER 31 -0.439 9.245 -9.608 59 HG SER 31 HG SER 31 -2.410 8.446 -9.041 60 H VAL 32 H VAL 32 0.590 11.806 -7.002 61 HA VAL 32 HA VAL 32 -1.116 12.504 -4.767 62 HB VAL 32 HB VAL 32 1.077 14.070 -6.141 63 1HG1 VAL 32 1HG1 VAL 32 -0.335 14.562 -3.522 64 2HG1 VAL 32 2HG1 VAL 32 -0.462 15.543 -4.983 65 3HG1 VAL 32 3HG1 VAL 32 1.067 15.457 -4.108 66 1HG2 VAL 32 1HG2 VAL 32 2.452 13.465 -4.192 67 2HG2 VAL 32 2HG2 VAL 32 1.966 12.061 -5.142 68 3HG2 VAL 32 3HG2 VAL 32 1.150 12.421 -3.620 69 H VAL 33 H VAL 33 -3.006 13.545 -5.050 70 HA VAL 33 HA VAL 33 -3.713 14.476 -7.686 71 HB VAL 33 HB VAL 33 -5.936 14.797 -6.798 72 1HG1 VAL 33 1HG1 VAL 33 -6.458 12.511 -6.134 73 2HG1 VAL 33 2HG1 VAL 33 -4.749 12.217 -5.812 74 3HG1 VAL 33 3HG1 VAL 33 -5.291 12.546 -7.458 75 1HG2 VAL 33 1HG2 VAL 33 -4.773 14.142 -4.099 76 2HG2 VAL 33 2HG2 VAL 33 -6.491 14.321 -4.458 77 3HG2 VAL 33 3HG2 VAL 33 -5.409 15.706 -4.613 78 HA PRO 34 HA PRO 34 -3.056 18.797 -7.100 79 1HB PRO 34 1HB PRO 34 -5.730 19.411 -8.160 80 2HB PRO 34 2HB PRO 34 -4.142 19.798 -8.827 81 1HG PRO 34 1HG PRO 34 -5.740 17.946 -9.942 82 2HG PRO 34 2HG PRO 34 -3.973 17.781 -9.937 83 1HD PRO 34 1HD PRO 34 -6.009 16.460 -8.180 84 2HD PRO 34 2HD PRO 34 -4.548 15.773 -8.924 85 H GLY 35 H GLY 35 -3.089 19.060 -4.868 86 1HA GLY 35 1HA GLY 35 -4.548 20.858 -3.626 87 2HA GLY 35 2HA GLY 35 -5.676 19.512 -3.582 88 H SER 36 H SER 36 -5.470 19.912 -1.262 89 HA SER 36 HA SER 36 -4.902 19.254 0.812 90 1HB SER 36 1HB SER 36 -3.868 17.149 1.175 91 2HB SER 36 2HB SER 36 -4.796 16.988 -0.312 92 HG SER 36 HG SER 36 -2.673 17.567 -1.350 93 HA PRO 37 HA PRO 37 -1.034 21.194 1.844 94 1HB PRO 37 1HB PRO 37 -0.998 20.105 4.490 95 2HB PRO 37 2HB PRO 37 -1.553 21.700 3.981 96 1HG PRO 37 1HG PRO 37 -3.184 19.704 4.986 97 2HG PRO 37 2HG PRO 37 -3.736 21.074 4.006 98 1HD PRO 37 1HD PRO 37 -3.194 18.250 3.189 99 2HD PRO 37 2HD PRO 37 -4.468 19.361 2.642 100 H ALA 38 H ALA 38 -1.392 17.872 1.629 101 HA ALA 38 HA ALA 38 1.297 17.244 2.599 102 1HB ALA 38 1HB ALA 38 0.640 14.918 2.413 103 2HB ALA 38 2HB ALA 38 -0.883 15.391 1.662 104 3HB ALA 38 3HB ALA 38 -0.558 15.824 3.339 105 H SER 39 H SER 39 0.008 18.324 -0.189 106 HA SER 39 HA SER 39 0.854 16.529 -2.165 107 1HB SER 39 1HB SER 39 -0.732 18.382 -2.565 108 2HB SER 39 2HB SER 39 0.585 19.536 -2.376 109 HG SER 39 HG SER 39 1.573 18.121 -4.149 110 H LYS 40 H LYS 40 2.618 18.978 -0.395 111 HA LYS 40 HA LYS 40 4.965 18.449 -2.086 112 1HB LYS 40 1HB LYS 40 4.202 20.825 -1.849 113 2HB LYS 40 2HB LYS 40 4.583 20.726 -0.138 114 1HG LYS 40 1HG LYS 40 6.927 20.322 -0.663 115 2HG LYS 40 2HG LYS 40 6.560 20.366 -2.387 116 1HD LYS 40 1HD LYS 40 5.898 22.685 -2.224 117 2HD LYS 40 2HD LYS 40 6.113 22.653 -0.472 118 1HE LYS 40 1HE LYS 40 8.017 23.716 -1.534 119 2HE LYS 40 2HE LYS 40 8.501 22.199 -0.779 120 1HZ LYS 40 1HZ LYS 40 7.977 22.611 -3.677 121 2HZ LYS 40 2HZ LYS 40 8.421 21.143 -2.960 122 3HZ LYS 40 3HZ LYS 40 9.501 22.444 -2.951 123 H VAL 41 H VAL 41 3.681 17.152 0.526 124 HA VAL 41 HA VAL 41 6.083 17.157 2.187 125 HB VAL 41 HB VAL 41 3.451 15.735 2.651 126 1HG1 VAL 41 1HG1 VAL 41 5.792 16.162 4.503 127 2HG1 VAL 41 2HG1 VAL 41 5.309 14.631 3.774 128 3HG1 VAL 41 3HG1 VAL 41 4.250 15.424 4.939 129 1HG2 VAL 41 1HG2 VAL 41 3.053 17.471 4.344 130 2HG2 VAL 41 2HG2 VAL 41 3.165 18.139 2.716 131 3HG2 VAL 41 3HG2 VAL 41 4.525 18.294 3.828 132 H LEU 42 H LEU 42 3.967 14.724 0.650 133 HA LEU 42 HA LEU 42 6.299 12.935 0.502 134 1HB LEU 42 1HB LEU 42 3.370 12.223 0.295 135 2HB LEU 42 2HB LEU 42 4.699 11.096 0.164 136 HG LEU 42 HG LEU 42 5.295 11.908 2.570 137 1HD1 LEU 42 1HD1 LEU 42 2.362 12.591 2.436 138 2HD1 LEU 42 2HD1 LEU 42 3.683 13.737 2.656 139 3HD1 LEU 42 3HD1 LEU 42 3.348 12.531 3.897 140 1HD2 LEU 42 1HD2 LEU 42 2.930 10.130 1.999 141 2HD2 LEU 42 2HD2 LEU 42 3.853 10.162 3.501 142 3HD2 LEU 42 3HD2 LEU 42 4.625 9.646 2.002 143 H THR 43 H THR 43 6.425 11.594 -1.447 144 HA THR 43 HA THR 43 5.459 13.041 -3.820 145 HB THR 43 HB THR 43 7.371 11.844 -4.997 146 HG1 THR 43 HG1 THR 43 7.887 10.280 -3.477 147 1HG2 THR 43 1HG2 THR 43 8.099 13.812 -2.822 148 2HG2 THR 43 2HG2 THR 43 7.489 14.220 -4.425 149 3HG2 THR 43 3HG2 THR 43 9.066 13.449 -4.252 150 HA PRO 44 HA PRO 44 3.231 9.387 -4.933 151 1HB PRO 44 1HB PRO 44 3.378 9.420 -7.641 152 2HB PRO 44 2HB PRO 44 2.364 10.538 -6.719 153 1HG PRO 44 1HG PRO 44 5.063 10.987 -7.930 154 2HG PRO 44 2HG PRO 44 3.652 12.061 -7.908 155 1HD PRO 44 1HD PRO 44 5.756 12.344 -6.209 156 2HD PRO 44 2HD PRO 44 4.097 12.807 -5.775 157 H GLY 45 H GLY 45 3.572 7.241 -5.376 158 1HA GLY 45 1HA GLY 45 4.735 5.392 -6.268 159 2HA GLY 45 2HA GLY 45 6.099 6.442 -6.605 160 H LEU 46 H LEU 46 4.927 6.881 -3.435 161 HA LEU 46 HA LEU 46 7.142 5.276 -2.395 162 1HB LEU 46 1HB LEU 46 5.412 7.319 -1.004 163 2HB LEU 46 2HB LEU 46 6.790 6.501 -0.296 164 HG LEU 46 HG LEU 46 6.885 8.422 -2.620 165 1HD1 LEU 46 1HD1 LEU 46 7.828 8.714 0.229 166 2HD1 LEU 46 2HD1 LEU 46 6.418 9.504 -0.477 167 3HD1 LEU 46 3HD1 LEU 46 8.034 9.898 -1.062 168 1HD2 LEU 46 1HD2 LEU 46 9.116 7.021 -1.149 169 2HD2 LEU 46 2HD2 LEU 46 9.314 8.253 -2.396 170 3HD2 LEU 46 3HD2 LEU 46 8.596 6.693 -2.802 171 H VAL 47 H VAL 47 6.776 4.078 -0.356 172 HA VAL 47 HA VAL 47 4.169 2.718 -0.474 173 HB VAL 47 HB VAL 47 6.818 1.603 0.474 174 1HG1 VAL 47 1HG1 VAL 47 4.152 0.238 0.131 175 2HG1 VAL 47 2HG1 VAL 47 4.922 0.634 1.667 176 3HG1 VAL 47 3HG1 VAL 47 5.669 -0.541 0.584 177 1HG2 VAL 47 1HG2 VAL 47 6.697 0.189 -1.530 178 2HG2 VAL 47 2HG2 VAL 47 6.781 1.903 -1.937 179 3HG2 VAL 47 3HG2 VAL 47 5.242 1.048 -2.037 180 H ILE 48 H ILE 48 2.905 2.759 1.228 181 HA ILE 48 HA ILE 48 3.831 4.062 3.679 182 HB ILE 48 HB ILE 48 1.053 3.188 2.864 183 1HG1 ILE 48 1HG1 ILE 48 2.265 5.962 2.889 184 2HG1 ILE 48 2HG1 ILE 48 2.055 4.983 1.442 185 1HG2 ILE 48 1HG2 ILE 48 0.299 4.635 4.702 186 2HG2 ILE 48 2HG2 ILE 48 1.980 4.908 5.162 187 3HG2 ILE 48 3HG2 ILE 48 1.286 3.290 5.272 188 1HD1 ILE 48 1HD1 ILE 48 -0.140 6.013 3.220 189 2HD1 ILE 48 2HD1 ILE 48 -0.367 5.001 1.794 190 3HD1 ILE 48 3HD1 ILE 48 0.296 6.627 1.624 191 H GLU 49 H GLU 49 4.459 2.936 5.377 192 HA GLU 49 HA GLU 49 4.101 0.073 5.438 193 1HB GLU 49 1HB GLU 49 5.455 1.916 7.407 194 2HB GLU 49 2HB GLU 49 5.498 0.163 7.465 195 1HG GLU 49 1HG GLU 49 6.636 0.169 5.262 196 2HG GLU 49 2HG GLU 49 6.684 1.931 5.339 197 H SER 50 H SER 50 3.149 2.861 7.444 198 HA SER 50 HA SER 50 0.905 1.402 8.474 199 1HB SER 50 1HB SER 50 1.710 1.601 10.887 200 2HB SER 50 2HB SER 50 2.485 0.355 9.908 201 HG SER 50 HG SER 50 4.218 1.821 9.579 202 H ILE 51 H ILE 51 -0.498 2.607 9.745 203 HA ILE 51 HA ILE 51 0.086 5.498 9.851 204 HB ILE 51 HB ILE 51 -2.611 4.231 9.313 205 1HG1 ILE 51 1HG1 ILE 51 -0.826 5.927 7.547 206 2HG1 ILE 51 2HG1 ILE 51 -1.108 4.196 7.360 207 1HG2 ILE 51 1HG2 ILE 51 -2.766 6.247 10.709 208 2HG2 ILE 51 2HG2 ILE 51 -3.439 6.517 9.102 209 3HG2 ILE 51 3HG2 ILE 51 -1.842 7.146 9.506 210 1HD1 ILE 51 1HD1 ILE 51 -3.468 4.647 6.903 211 2HD1 ILE 51 2HD1 ILE 51 -2.409 5.476 5.764 212 3HD1 ILE 51 3HD1 ILE 51 -3.173 6.377 7.076 213 H ASN 52 H ASN 52 0.628 5.725 11.924 214 HA ASN 52 HA ASN 52 0.444 5.885 14.189 215 1HB ASN 52 1HB ASN 52 -1.594 7.148 13.339 216 2HB ASN 52 2HB ASN 52 -2.530 5.730 13.777 217 1HD2 ASN 52 1HD2 ASN 52 -2.617 8.463 14.775 218 2HD2 ASN 52 2HD2 ASN 52 -2.409 8.344 16.482 219 H GLY 53 H GLY 53 1.298 3.609 14.018 220 1HA GLY 53 1HA GLY 53 1.449 1.659 15.263 221 2HA GLY 53 2HA GLY 53 -0.135 2.006 15.935 222 H MET 54 H MET 54 -1.673 2.137 13.657 223 HA MET 54 HA MET 54 -1.949 -0.676 13.061 224 1HB MET 54 1HB MET 54 -3.554 1.717 12.141 225 2HB MET 54 2HB MET 54 -4.003 0.037 11.882 226 1HG MET 54 1HG MET 54 -4.219 -0.306 14.266 227 2HG MET 54 2HG MET 54 -3.667 1.337 14.576 228 1HE MET 54 1HE MET 54 -5.062 3.504 14.029 229 2HE MET 54 2HE MET 54 -6.616 3.491 13.194 230 3HE MET 54 3HE MET 54 -5.150 3.018 12.336 231 HA PRO 55 HA PRO 55 0.508 -0.042 9.378 232 1HB PRO 55 1HB PRO 55 0.941 -2.605 8.793 233 2HB PRO 55 2HB PRO 55 1.736 -1.826 10.164 234 1HG PRO 55 1HG PRO 55 -0.629 -3.657 10.136 235 2HG PRO 55 2HG PRO 55 0.723 -3.590 11.280 236 1HD PRO 55 1HD PRO 55 -1.767 -2.473 11.721 237 2HD PRO 55 2HD PRO 55 -0.276 -1.965 12.536 238 H THR 56 H THR 56 0.135 -0.050 7.189 239 HA THR 56 HA THR 56 -2.477 -1.112 6.370 240 HB THR 56 HB THR 56 -2.302 0.561 4.488 241 HG1 THR 56 HG1 THR 56 -0.033 0.984 4.738 242 1HG2 THR 56 1HG2 THR 56 -3.031 2.450 5.887 243 2HG2 THR 56 2HG2 THR 56 -2.399 1.633 7.316 244 3HG2 THR 56 3HG2 THR 56 -3.753 0.934 6.426 245 H SER 57 H SER 57 -1.340 -3.166 6.086 246 HA SER 57 HA SER 57 0.467 -3.363 3.840 247 1HB SER 57 1HB SER 57 -0.891 -5.562 5.408 248 2HB SER 57 2HB SER 57 0.513 -5.729 4.356 249 HG SER 57 HG SER 57 1.764 -5.014 5.899 250 H ASN 58 H ASN 58 -2.886 -3.299 4.335 251 HA ASN 58 HA ASN 58 -3.347 -4.157 1.579 252 1HB ASN 58 1HB ASN 58 -3.851 -5.874 3.528 253 2HB ASN 58 2HB ASN 58 -5.311 -4.917 3.695 254 1HD2 ASN 58 1HD2 ASN 58 -4.635 -7.660 2.803 255 2HD2 ASN 58 2HD2 ASN 58 -5.472 -7.871 1.301 256 H LEU 59 H LEU 59 -5.769 -3.636 1.062 257 HA LEU 59 HA LEU 59 -6.136 -0.846 1.514 258 1HB LEU 59 1HB LEU 59 -7.635 -2.969 0.026 259 2HB LEU 59 2HB LEU 59 -8.293 -1.366 0.214 260 HG LEU 59 HG LEU 59 -5.708 -2.072 -1.158 261 1HD1 LEU 59 1HD1 LEU 59 -6.850 -1.285 -3.170 262 2HD1 LEU 59 2HD1 LEU 59 -8.327 -1.046 -2.237 263 3HD1 LEU 59 3HD1 LEU 59 -7.671 -2.669 -2.453 264 1HD2 LEU 59 1HD2 LEU 59 -7.022 0.622 -0.795 265 2HD2 LEU 59 2HD2 LEU 59 -5.584 0.293 -1.763 266 3HD2 LEU 59 3HD2 LEU 59 -5.536 0.082 -0.013 267 H THR 60 H THR 60 -7.534 -3.798 2.766 268 HA THR 60 HA THR 60 -9.788 -2.676 4.042 269 HB THR 60 HB THR 60 -8.305 -5.021 5.196 270 HG1 THR 60 HG1 THR 60 -9.949 -5.170 2.861 271 1HG2 THR 60 1HG2 THR 60 -10.597 -5.890 5.474 272 2HG2 THR 60 2HG2 THR 60 -11.232 -4.428 4.717 273 3HG2 THR 60 3HG2 THR 60 -10.388 -4.326 6.260 274 H THR 61 H THR 61 -6.466 -3.293 5.190 275 HA THR 61 HA THR 61 -6.869 -2.315 7.803 276 HB THR 61 HB THR 61 -4.316 -1.929 7.694 277 HG1 THR 61 HG1 THR 61 -4.207 -1.848 5.381 278 1HG2 THR 61 1HG2 THR 61 -5.332 -3.898 8.728 279 2HG2 THR 61 2HG2 THR 61 -3.867 -4.339 7.850 280 3HG2 THR 61 3HG2 THR 61 -5.450 -4.677 7.151 281 H TYR 62 H TYR 62 -5.932 -0.771 4.780 282 HA TYR 62 HA TYR 62 -5.455 1.821 5.770 283 1HB TYR 62 1HB TYR 62 -4.781 1.203 3.530 284 2HB TYR 62 2HB TYR 62 -6.443 0.845 3.081 285 HD1 TYR 62 HD1 TYR 62 -4.128 3.599 3.982 286 HD2 TYR 62 HD2 TYR 62 -7.862 2.522 2.248 287 HE1 TYR 62 HE1 TYR 62 -4.392 5.894 3.135 288 HE2 TYR 62 HE2 TYR 62 -8.141 4.812 1.402 289 HH TYR 62 HH TYR 62 -7.323 7.093 1.933 290 H SER 63 H SER 63 -8.358 0.231 4.575 291 HA SER 63 HA SER 63 -10.145 2.354 4.773 292 1HB SER 63 1HB SER 63 -10.431 -0.621 4.862 293 2HB SER 63 2HB SER 63 -11.814 0.440 4.864 294 HG SER 63 HG SER 63 -9.800 0.253 2.875 295 H ALA 64 H ALA 64 -9.376 -0.222 7.083 296 HA ALA 64 HA ALA 64 -11.244 0.546 9.046 297 1HB ALA 64 1HB ALA 64 -10.220 -1.676 8.983 298 2HB ALA 64 2HB ALA 64 -9.988 -0.908 10.554 299 3HB ALA 64 3HB ALA 64 -8.659 -0.970 9.398 300 H ALA 65 H ALA 65 -7.985 1.602 8.357 301 HA ALA 65 HA ALA 65 -7.724 3.095 10.794 302 1HB ALA 65 1HB ALA 65 -5.759 2.249 9.564 303 2HB ALA 65 2HB ALA 65 -5.693 3.993 9.821 304 3HB ALA 65 3HB ALA 65 -6.137 3.348 8.239 305 H LEU 66 H LEU 66 -8.522 3.786 7.442 306 HA LEU 66 HA LEU 66 -8.583 6.554 7.511 307 1HB LEU 66 1HB LEU 66 -9.079 4.520 5.701 308 2HB LEU 66 2HB LEU 66 -10.618 5.344 5.816 309 HG LEU 66 HG LEU 66 -9.085 6.103 3.971 310 1HD1 LEU 66 1HD1 LEU 66 -10.978 7.433 4.708 311 2HD1 LEU 66 2HD1 LEU 66 -9.613 8.474 4.300 312 3HD1 LEU 66 3HD1 LEU 66 -9.997 8.143 5.988 313 1HD2 LEU 66 1HD2 LEU 66 -6.994 6.055 5.258 314 2HD2 LEU 66 2HD2 LEU 66 -7.589 7.382 6.253 315 3HD2 LEU 66 3HD2 LEU 66 -7.288 7.636 4.535 316 H LYS 67 H LYS 67 -11.089 4.237 8.448 317 HA LYS 67 HA LYS 67 -13.148 6.200 8.579 318 1HB LYS 67 1HB LYS 67 -14.461 4.474 9.748 319 2HB LYS 67 2HB LYS 67 -13.747 3.886 8.255 320 1HG LYS 67 1HG LYS 67 -12.070 2.679 9.451 321 2HG LYS 67 2HG LYS 67 -12.574 3.399 10.983 322 1HD LYS 67 1HD LYS 67 -14.372 1.692 9.271 323 2HD LYS 67 2HD LYS 67 -13.384 1.049 10.584 324 1HE LYS 67 1HE LYS 67 -14.534 2.434 12.190 325 2HE LYS 67 2HE LYS 67 -15.441 3.234 10.905 326 1HZ LYS 67 1HZ LYS 67 -15.612 0.313 11.398 327 2HZ LYS 67 2HZ LYS 67 -16.655 1.283 10.470 328 3HZ LYS 67 3HZ LYS 67 -16.635 1.430 12.160 329 H THR 68 H THR 68 -10.578 5.402 10.677 330 HA THR 68 HA THR 68 -11.963 6.438 13.025 331 HB THR 68 HB THR 68 -10.014 5.821 14.320 332 HG1 THR 68 HG1 THR 68 -8.836 5.322 11.777 333 1HG2 THR 68 1HG2 THR 68 -9.983 3.403 13.932 334 2HG2 THR 68 2HG2 THR 68 -10.730 3.647 12.353 335 3HG2 THR 68 3HG2 THR 68 -11.621 4.049 13.822 336 H ILE 69 H ILE 69 -10.082 7.594 10.478 337 HA ILE 69 HA ILE 69 -8.777 9.707 11.968 338 HB ILE 69 HB ILE 69 -8.987 9.499 8.961 339 1HG1 ILE 69 1HG1 ILE 69 -8.098 7.383 9.714 340 2HG1 ILE 69 2HG1 ILE 69 -6.776 8.343 9.062 341 1HG2 ILE 69 1HG2 ILE 69 -6.893 10.765 9.004 342 2HG2 ILE 69 2HG2 ILE 69 -6.947 10.798 10.767 343 3HG2 ILE 69 3HG2 ILE 69 -8.189 11.632 9.830 344 1HD1 ILE 69 1HD1 ILE 69 -6.061 7.210 11.054 345 2HD1 ILE 69 2HD1 ILE 69 -7.407 7.892 11.967 346 3HD1 ILE 69 3HD1 ILE 69 -6.128 8.945 11.365 347 H SER 70 H SER 70 -9.314 11.891 11.880 348 HA SER 70 HA SER 70 -12.069 12.440 11.022 349 1HB SER 70 1HB SER 70 -10.358 14.042 12.934 350 2HB SER 70 2HB SER 70 -12.095 14.195 12.672 351 HG SER 70 HG SER 70 -10.881 12.665 14.424 352 H VAL 71 H VAL 71 -12.483 14.652 10.181 353 HA VAL 71 HA VAL 71 -10.526 15.412 8.215 354 HB VAL 71 HB VAL 71 -13.039 16.910 8.987 355 1HG1 VAL 71 1HG1 VAL 71 -11.433 18.218 7.680 356 2HG1 VAL 71 2HG1 VAL 71 -12.886 17.865 6.745 357 3HG1 VAL 71 3HG1 VAL 71 -11.405 16.955 6.446 358 1HG2 VAL 71 1HG2 VAL 71 -13.605 14.625 8.379 359 2HG2 VAL 71 2HG2 VAL 71 -12.669 14.773 6.892 360 3HG2 VAL 71 3HG2 VAL 71 -14.120 15.748 7.118 361 H GLY 72 H GLY 72 -8.860 16.744 8.585 362 1HA GLY 72 1HA GLY 72 -7.750 18.630 9.427 363 2HA GLY 72 2HA GLY 72 -9.109 18.923 10.510 364 H GLU 73 H GLU 73 -7.807 15.756 10.271 365 HA GLU 73 HA GLU 73 -6.799 15.956 13.015 366 1HB GLU 73 1HB GLU 73 -8.530 14.211 12.303 367 2HB GLU 73 2HB GLU 73 -7.218 13.440 11.432 368 1HG GLU 73 1HG GLU 73 -7.367 12.304 13.473 369 2HG GLU 73 2HG GLU 73 -5.969 13.368 13.621 370 H VAL 74 H VAL 74 -4.741 15.208 13.541 371 HA VAL 74 HA VAL 74 -2.889 15.066 11.267 372 HB VAL 74 HB VAL 74 -2.255 15.628 14.180 373 1HG1 VAL 74 1HG1 VAL 74 -0.509 15.808 11.721 374 2HG1 VAL 74 2HG1 VAL 74 -0.392 14.588 12.989 375 3HG1 VAL 74 3HG1 VAL 74 -0.037 16.277 13.355 376 1HG2 VAL 74 1HG2 VAL 74 -2.425 17.517 11.834 377 2HG2 VAL 74 2HG2 VAL 74 -1.855 17.938 13.450 378 3HG2 VAL 74 3HG2 VAL 74 -3.531 17.448 13.205 379 H ILE 75 H ILE 75 -1.851 13.210 10.858 380 HA ILE 75 HA ILE 75 -1.997 11.064 12.865 381 HB ILE 75 HB ILE 75 -2.203 9.461 10.929 382 1HG1 ILE 75 1HG1 ILE 75 -2.973 11.992 9.459 383 2HG1 ILE 75 2HG1 ILE 75 -1.535 11.021 9.146 384 1HG2 ILE 75 1HG2 ILE 75 -4.637 9.791 10.744 385 2HG2 ILE 75 2HG2 ILE 75 -4.460 11.383 11.481 386 3HG2 ILE 75 3HG2 ILE 75 -4.055 9.931 12.404 387 1HD1 ILE 75 1HD1 ILE 75 -4.385 10.118 8.792 388 2HD1 ILE 75 2HD1 ILE 75 -2.945 9.156 8.462 389 3HD1 ILE 75 3HD1 ILE 75 -3.279 10.602 7.508 390 H ASN 76 H ASN 76 -0.461 9.332 12.543 391 HA ASN 76 HA ASN 76 2.122 10.373 11.607 392 1HB ASN 76 1HB ASN 76 2.072 9.904 13.985 393 2HB ASN 76 2HB ASN 76 1.444 8.289 13.691 394 1HD2 ASN 76 1HD2 ASN 76 2.810 6.678 13.051 395 2HD2 ASN 76 2HD2 ASN 76 4.533 6.837 13.072 396 H ILE 77 H ILE 77 2.520 9.651 9.622 397 HA ILE 77 HA ILE 77 1.771 6.887 8.892 398 HB ILE 77 HB ILE 77 2.280 9.276 7.102 399 1HG1 ILE 77 1HG1 ILE 77 -0.297 7.815 7.743 400 2HG1 ILE 77 2HG1 ILE 77 0.158 9.395 8.372 401 1HG2 ILE 77 1HG2 ILE 77 1.485 7.815 5.284 402 2HG2 ILE 77 2HG2 ILE 77 1.428 6.465 6.420 403 3HG2 ILE 77 3HG2 ILE 77 2.972 7.220 6.025 404 1HD1 ILE 77 1HD1 ILE 77 0.129 10.306 6.114 405 2HD1 ILE 77 2HD1 ILE 77 -1.424 9.582 6.537 406 3HD1 ILE 77 3HD1 ILE 77 -0.308 8.721 5.477 407 H THR 78 H THR 78 3.379 5.538 8.952 408 HA THR 78 HA THR 78 6.119 6.501 8.617 409 HB THR 78 HB THR 78 5.213 3.729 9.413 410 HG1 THR 78 HG1 THR 78 4.880 6.007 10.749 411 1HG2 THR 78 1HG2 THR 78 7.786 5.240 9.907 412 2HG2 THR 78 2HG2 THR 78 7.564 3.951 8.721 413 3HG2 THR 78 3HG2 THR 78 7.426 3.603 10.446 414 H THR 79 H THR 79 7.070 6.307 6.693 415 HA THR 79 HA THR 79 5.981 4.335 4.791 416 HB THR 79 HB THR 79 6.931 5.790 2.999 417 HG1 THR 79 HG1 THR 79 7.904 7.121 5.190 418 1HG2 THR 79 1HG2 THR 79 5.210 7.528 3.126 419 2HG2 THR 79 2HG2 THR 79 4.945 7.140 4.828 420 3HG2 THR 79 3HG2 THR 79 4.569 5.950 3.580 421 H ASP 80 H ASP 80 7.726 3.841 3.038 422 HA ASP 80 HA ASP 80 9.784 2.373 4.226 423 1HB ASP 80 1HB ASP 80 8.788 2.037 1.928 424 2HB ASP 80 2HB ASP 80 9.764 3.394 1.380 425 H GLN 81 H GLN 81 9.659 5.692 3.204 426 HA GLN 81 HA GLN 81 12.560 5.985 3.428 427 1HB GLN 81 1HB GLN 81 10.403 7.571 2.131 428 2HB GLN 81 2HB GLN 81 11.833 8.427 2.683 429 1HG GLN 81 1HG GLN 81 11.894 7.735 0.297 430 2HG GLN 81 2HG GLN 81 13.249 7.160 1.263 431 1HE2 GLN 81 1HE2 GLN 81 13.428 4.987 1.723 432 2HE2 GLN 81 2HE2 GLN 81 12.498 3.771 0.908 433 H GLY 82 H GLY 82 10.414 5.796 5.654 434 1HA GLY 82 1HA GLY 82 11.379 6.491 7.841 435 2HA GLY 82 2HA GLY 82 11.501 8.101 7.150 436 H THR 83 H THR 83 10.322 8.122 9.411 437 HA THR 83 HA THR 83 7.461 7.691 9.205 438 HB THR 83 HB THR 83 8.923 8.945 11.524 439 HG1 THR 83 HG1 THR 83 8.475 6.155 11.315 440 1HG2 THR 83 1HG2 THR 83 6.434 7.239 11.327 441 2HG2 THR 83 2HG2 THR 83 6.483 8.981 11.603 442 3HG2 THR 83 3HG2 THR 83 7.125 7.878 12.820 443 H PHE 84 H PHE 84 6.159 9.244 8.434 444 HA PHE 84 HA PHE 84 7.003 12.046 8.787 445 1HB PHE 84 1HB PHE 84 5.331 10.862 6.565 446 2HB PHE 84 2HB PHE 84 5.648 12.578 6.783 447 HD1 PHE 84 HD1 PHE 84 8.022 13.395 6.647 448 HD2 PHE 84 HD2 PHE 84 6.860 9.491 5.428 449 HE1 PHE 84 HE1 PHE 84 10.085 13.206 5.321 450 HE2 PHE 84 HE2 PHE 84 8.920 9.292 4.096 451 HZ PHE 84 HZ PHE 84 10.533 11.150 4.042 452 H HIS 85 H HIS 85 5.320 13.577 9.110 453 HA HIS 85 HA HIS 85 2.925 12.424 10.351 454 1HB HIS 85 1HB HIS 85 2.790 14.535 11.666 455 2HB HIS 85 2HB HIS 85 4.223 13.589 12.016 456 HD1 HIS 85 HD1 HIS 85 6.518 14.541 11.068 457 HD2 HIS 85 HD2 HIS 85 3.244 17.100 10.770 458 HE1 HIS 85 HE1 HIS 85 7.472 16.823 10.612 459 HE2 HIS 85 HE2 HIS 85 5.491 18.382 10.633 460 H LEU 86 H LEU 86 0.991 13.002 9.576 461 HA LEU 86 HA LEU 86 0.984 15.009 7.422 462 1HB LEU 86 1HB LEU 86 1.077 12.661 6.559 463 2HB LEU 86 2HB LEU 86 -0.453 12.359 7.354 464 HG LEU 86 HG LEU 86 -0.431 14.638 5.473 465 1HD1 LEU 86 1HD1 LEU 86 -0.269 11.786 4.510 466 2HD1 LEU 86 2HD1 LEU 86 0.967 13.025 4.281 467 3HD1 LEU 86 3HD1 LEU 86 -0.611 13.204 3.516 468 1HD2 LEU 86 1HD2 LEU 86 -2.607 13.667 4.870 469 2HD2 LEU 86 2HD2 LEU 86 -2.468 13.938 6.607 470 3HD2 LEU 86 3HD2 LEU 86 -2.291 12.310 5.952 471 H LYS 87 H LYS 87 -0.966 16.075 7.083 472 HA LYS 87 HA LYS 87 -2.955 15.768 9.218 473 1HB LYS 87 1HB LYS 87 -1.622 17.734 9.709 474 2HB LYS 87 2HB LYS 87 -1.833 18.334 8.073 475 1HG LYS 87 1HG LYS 87 -4.286 17.866 9.665 476 2HG LYS 87 2HG LYS 87 -3.260 19.220 10.135 477 1HD LYS 87 1HD LYS 87 -3.328 19.983 7.747 478 2HD LYS 87 2HD LYS 87 -4.534 18.730 7.446 479 1HE LYS 87 1HE LYS 87 -5.552 20.930 7.852 480 2HE LYS 87 2HE LYS 87 -6.030 19.739 9.060 481 1HZ LYS 87 1HZ LYS 87 -3.782 21.616 9.510 482 2HZ LYS 87 2HZ LYS 87 -4.642 20.708 10.659 483 3HZ LYS 87 3HZ LYS 87 -5.385 22.024 9.892 484 H THR 88 H THR 88 -4.931 15.421 8.487 485 HA THR 88 HA THR 88 -5.385 15.317 5.647 486 HB THR 88 HB THR 88 -7.664 14.576 6.236 487 HG1 THR 88 HG1 THR 88 -7.827 14.134 8.674 488 1HG2 THR 88 1HG2 THR 88 -5.897 12.919 6.098 489 2HG2 THR 88 2HG2 THR 88 -7.010 12.499 7.401 490 3HG2 THR 88 3HG2 THR 88 -5.448 13.224 7.776 491 H GLY 89 H GLY 89 -6.300 16.828 4.363 492 1HA GLY 89 1HA GLY 89 -8.045 18.831 5.490 493 2HA GLY 89 2HA GLY 89 -6.480 19.450 5.028 494 H ARG 90 H ARG 90 -9.500 18.394 4.040 495 HA ARG 90 HA ARG 90 -10.778 18.759 2.238 496 1HB ARG 90 1HB ARG 90 -9.003 21.169 2.300 497 2HB ARG 90 2HB ARG 90 -10.289 21.022 1.110 498 1HG ARG 90 1HG ARG 90 -11.141 22.289 2.918 499 2HG ARG 90 2HG ARG 90 -11.888 20.696 3.010 500 1HD ARG 90 1HD ARG 90 -10.126 20.080 4.686 501 2HD ARG 90 2HD ARG 90 -9.637 21.773 4.695 502 HE ARG 90 HE ARG 90 -12.429 21.493 5.175 503 1HH1 ARG 90 1HH1 ARG 90 -9.288 21.186 6.716 504 2HH1 ARG 90 2HH1 ARG 90 -9.906 21.469 8.319 505 1HH2 ARG 90 1HH2 ARG 90 -13.245 21.866 7.263 506 2HH2 ARG 90 2HH2 ARG 90 -12.164 21.862 8.632 507 H ASN 91 H ASN 91 -10.943 17.657 0.476 508 HA ASN 91 HA ASN 91 -9.399 18.419 -1.835 509 1HB ASN 91 1HB ASN 91 -8.936 15.854 -0.477 510 2HB ASN 91 2HB ASN 91 -9.329 15.685 -2.187 511 1HD2 ASN 91 1HD2 ASN 91 -6.819 15.167 -0.814 512 2HD2 ASN 91 2HD2 ASN 91 -5.643 16.179 -1.574 513 HA PRO 92 HA PRO 92 -13.315 18.162 -3.753 514 1HB PRO 92 1HB PRO 92 -12.536 17.064 -6.206 515 2HB PRO 92 2HB PRO 92 -12.560 18.782 -5.799 516 1HG PRO 92 1HG PRO 92 -10.278 16.859 -5.788 517 2HG PRO 92 2HG PRO 92 -10.305 18.573 -6.248 518 1HD PRO 92 1HD PRO 92 -9.290 17.786 -3.901 519 2HD PRO 92 2HD PRO 92 -10.221 19.291 -4.035 520 H ASN 93 H ASN 93 -11.402 15.290 -4.684 521 HA ASN 93 HA ASN 93 -13.460 13.576 -3.576 522 1HB ASN 93 1HB ASN 93 -14.115 14.021 -5.946 523 2HB ASN 93 2HB ASN 93 -12.599 13.288 -6.458 524 1HD2 ASN 93 1HD2 ASN 93 -13.571 11.619 -7.563 525 2HD2 ASN 93 2HD2 ASN 93 -14.390 10.318 -6.763 526 H ASN 94 H ASN 94 -11.541 13.377 -2.155 527 HA ASN 94 HA ASN 94 -9.349 11.768 -3.166 528 1HB ASN 94 1HB ASN 94 -9.203 13.524 -1.293 529 2HB ASN 94 2HB ASN 94 -9.962 12.320 -0.263 530 1HD2 ASN 94 1HD2 ASN 94 -8.509 10.097 -1.637 531 2HD2 ASN 94 2HD2 ASN 94 -6.893 10.188 -1.026 532 H SER 95 H SER 95 -11.966 11.369 -0.806 533 HA SER 95 HA SER 95 -12.454 8.671 -1.660 534 1HB SER 95 1HB SER 95 -11.521 9.160 1.190 535 2HB SER 95 2HB SER 95 -12.117 7.630 0.548 536 HG SER 95 HG SER 95 -10.202 8.385 -1.070 537 H SER 96 H SER 96 -12.970 10.483 1.351 538 HA SER 96 HA SER 96 -15.583 11.353 0.710 539 1HB SER 96 1HB SER 96 -15.942 8.854 1.095 540 2HB SER 96 2HB SER 96 -15.501 9.139 2.778 541 HG SER 96 HG SER 96 -17.618 10.430 1.381 542 H ARG 97 H ARG 97 -13.778 10.164 3.537 543 HA ARG 97 HA ARG 97 -13.809 12.896 4.615 544 1HB ARG 97 1HB ARG 97 -13.846 11.955 6.885 545 2HB ARG 97 2HB ARG 97 -15.280 11.500 5.981 546 1HG ARG 97 1HG ARG 97 -12.939 9.640 6.105 547 2HG ARG 97 2HG ARG 97 -14.072 9.742 7.455 548 1HD ARG 97 1HD ARG 97 -15.914 9.169 5.989 549 2HD ARG 97 2HD ARG 97 -14.840 9.171 4.593 550 HE ARG 97 HE ARG 97 -13.673 7.308 6.031 551 1HH1 ARG 97 1HH1 ARG 97 -17.107 7.848 5.559 552 2HH1 ARG 97 2HH1 ARG 97 -17.517 6.163 5.707 553 1HH2 ARG 97 1HH2 ARG 97 -14.206 5.085 6.180 554 2HH2 ARG 97 2HH2 ARG 97 -15.871 4.595 6.029 555 H ALA 98 H ALA 98 -11.963 13.371 6.008 556 HA ALA 98 HA ALA 98 -9.732 13.588 6.334 557 1HB ALA 98 1HB ALA 98 -9.781 10.580 6.154 558 2HB ALA 98 2HB ALA 98 -10.058 11.542 7.608 559 3HB ALA 98 3HB ALA 98 -8.475 11.555 6.828 560 H TYR 99 H TYR 99 -9.345 14.688 4.369 561 HA TYR 99 HA TYR 99 -8.550 13.120 2.055 562 1HB TYR 99 1HB TYR 99 -8.531 16.123 2.335 563 2HB TYR 99 2HB TYR 99 -8.579 15.178 0.851 564 HD1 TYR 99 HD1 TYR 99 -10.677 13.811 0.368 565 HD2 TYR 99 HD2 TYR 99 -10.506 16.791 3.398 566 HE1 TYR 99 HE1 TYR 99 -13.133 13.938 0.377 567 HE2 TYR 99 HE2 TYR 99 -12.954 16.926 3.419 568 HH TYR 99 HH TYR 99 -14.939 14.636 2.032 569 H MET 100 H MET 100 -6.541 12.334 2.073 570 HA MET 100 HA MET 100 -4.445 13.720 3.511 571 1HB MET 100 1HB MET 100 -4.431 11.104 2.005 572 2HB MET 100 2HB MET 100 -3.039 11.758 2.859 573 1HG MET 100 1HG MET 100 -4.445 11.748 4.936 574 2HG MET 100 2HG MET 100 -5.656 10.851 4.018 575 1HE MET 100 1HE MET 100 -5.118 8.468 2.844 576 2HE MET 100 2HE MET 100 -3.575 7.632 3.034 577 3HE MET 100 3HE MET 100 -3.655 9.142 2.127 578 H GLY 101 H GLY 101 -5.308 13.010 0.167 579 1HA GLY 101 1HA GLY 101 -4.759 14.796 -1.411 580 2HA GLY 101 2HA GLY 101 -3.203 14.931 -0.615 581 H ILE 102 H ILE 102 -3.404 11.788 -0.611 582 HA ILE 102 HA ILE 102 -2.474 11.513 -3.388 583 HB ILE 102 HB ILE 102 -0.849 9.835 -2.654 584 1HG1 ILE 102 1HG1 ILE 102 -0.372 10.024 -0.034 585 2HG1 ILE 102 2HG1 ILE 102 -2.102 10.339 0.017 586 1HG2 ILE 102 1HG2 ILE 102 -0.144 12.140 -2.860 587 2HG2 ILE 102 2HG2 ILE 102 0.716 11.351 -1.537 588 3HG2 ILE 102 3HG2 ILE 102 -0.614 12.458 -1.190 589 1HD1 ILE 102 1HD1 ILE 102 -0.782 7.898 -1.146 590 2HD1 ILE 102 2HD1 ILE 102 -2.517 8.209 -1.096 591 3HD1 ILE 102 3HD1 ILE 102 -1.616 7.996 0.405 592 H ARG 103 H ARG 103 -2.948 9.599 -4.466 593 HA ARG 103 HA ARG 103 -5.252 8.166 -3.421 594 1HB ARG 103 1HB ARG 103 -4.314 8.860 -6.014 595 2HB ARG 103 2HB ARG 103 -4.339 7.105 -5.920 596 1HG ARG 103 1HG ARG 103 -6.665 8.910 -5.293 597 2HG ARG 103 2HG ARG 103 -6.433 8.030 -6.804 598 1HD ARG 103 1HD ARG 103 -6.521 5.912 -5.586 599 2HD ARG 103 2HD ARG 103 -6.720 6.786 -4.067 600 HE ARG 103 HE ARG 103 -8.748 7.572 -5.845 601 1HH1 ARG 103 1HH1 ARG 103 -7.752 4.752 -4.012 602 2HH1 ARG 103 2HH1 ARG 103 -9.367 4.155 -3.819 603 1HH2 ARG 103 1HH2 ARG 103 -10.881 6.811 -5.553 604 2HH2 ARG 103 2HH2 ARG 103 -11.151 5.314 -4.698 605 H THR 104 H THR 104 -5.237 6.065 -2.783 606 HA THR 104 HA THR 104 -2.590 4.819 -2.540 607 HB THR 104 HB THR 104 -3.972 3.455 -0.747 608 HG1 THR 104 HG1 THR 104 -5.309 5.603 0.050 609 1HG2 THR 104 1HG2 THR 104 -2.993 6.278 -0.303 610 2HG2 THR 104 2HG2 THR 104 -2.011 4.814 -0.241 611 3HG2 THR 104 3HG2 THR 104 -3.273 5.084 0.962 612 H SER 105 H SER 105 -2.295 2.700 -3.064 613 HA SER 105 HA SER 105 -4.578 1.157 -4.053 614 1HB SER 105 1HB SER 105 -3.123 0.334 -5.943 615 2HB SER 105 2HB SER 105 -3.595 2.025 -6.077 616 HG SER 105 HG SER 105 -1.491 2.469 -5.033 617 H ASN 106 H ASN 106 -3.887 -1.180 -4.352 618 HA ASN 106 HA ASN 106 -2.576 -1.992 -1.912 619 1HB ASN 106 1HB ASN 106 -4.605 -3.044 -3.583 620 2HB ASN 106 2HB ASN 106 -3.285 -4.211 -3.592 621 1HD2 ASN 106 1HD2 ASN 106 -4.909 -5.543 -2.488 622 2HD2 ASN 106 2HD2 ASN 106 -5.061 -5.404 -0.772 623 H HIS 107 H HIS 107 -2.065 -2.219 -5.374 624 HA HIS 107 HA HIS 107 -0.216 -2.604 -6.644 625 1HB HIS 107 1HB HIS 107 0.511 -0.716 -5.105 626 2HB HIS 107 2HB HIS 107 1.348 -1.932 -4.153 627 HD1 HIS 107 HD1 HIS 107 1.411 -0.316 -7.555 628 HD2 HIS 107 HD2 HIS 107 3.832 -2.652 -5.116 629 HE1 HIS 107 HE1 HIS 107 3.665 -0.325 -8.656 630 HE2 HIS 107 HE2 HIS 107 5.075 -1.859 -7.242 631 H LEU 108 H LEU 108 -1.335 -4.876 -5.396 632 HA LEU 108 HA LEU 108 0.876 -6.402 -4.302 633 1HB LEU 108 1HB LEU 108 -2.034 -7.088 -4.658 634 2HB LEU 108 2HB LEU 108 -0.844 -8.172 -3.967 635 HG LEU 108 HG LEU 108 -1.654 -5.513 -2.839 636 1HD1 LEU 108 1HD1 LEU 108 -2.700 -6.812 -1.068 637 2HD1 LEU 108 2HD1 LEU 108 -2.231 -8.306 -1.881 638 3HD1 LEU 108 3HD1 LEU 108 -3.392 -7.216 -2.637 639 1HD2 LEU 108 1HD2 LEU 108 0.206 -7.606 -1.736 640 2HD2 LEU 108 2HD2 LEU 108 -0.308 -6.135 -0.906 641 3HD2 LEU 108 3HD2 LEU 108 0.678 -6.028 -2.365 642 H ARG 109 H ARG 109 0.438 -8.867 -4.983 643 HA ARG 109 HA ARG 109 0.284 -9.164 -7.872 644 1HB ARG 109 1HB ARG 109 2.664 -8.623 -7.432 645 2HB ARG 109 2HB ARG 109 2.746 -9.962 -6.297 646 1HG ARG 109 1HG ARG 109 2.095 -11.462 -8.229 647 2HG ARG 109 2HG ARG 109 2.410 -10.077 -9.277 648 1HD ARG 109 1HD ARG 109 4.375 -11.361 -7.383 649 2HD ARG 109 2HD ARG 109 4.347 -11.564 -9.131 650 HE ARG 109 HE ARG 109 4.915 -8.991 -7.785 651 1HH1 ARG 109 1HH1 ARG 109 5.416 -11.291 -10.391 652 2HH1 ARG 109 2HH1 ARG 109 6.672 -10.350 -11.148 653 1HH2 ARG 109 1HH2 ARG 109 6.575 -7.755 -8.778 654 2HH2 ARG 109 2HH2 ARG 109 7.337 -8.360 -10.222 655 H VAL 110 H VAL 110 -0.925 -10.948 -8.212 656 HA VAL 110 HA VAL 110 -0.435 -13.277 -6.516 657 HB VAL 110 HB VAL 110 -2.464 -12.044 -5.651 658 1HG1 VAL 110 1HG1 VAL 110 -3.440 -11.290 -7.719 659 2HG1 VAL 110 2HG1 VAL 110 -4.577 -12.356 -6.892 660 3HG1 VAL 110 3HG1 VAL 110 -3.648 -12.954 -8.266 661 1HG2 VAL 110 1HG2 VAL 110 -2.895 -14.848 -6.647 662 2HG2 VAL 110 2HG2 VAL 110 -3.782 -14.068 -5.336 663 3HG2 VAL 110 3HG2 VAL 110 -2.055 -14.393 -5.166 664 H ARG 111 H ARG 111 -0.803 -15.218 -7.502 665 HA ARG 111 HA ARG 111 -1.261 -15.108 -10.408 666 1HB ARG 111 1HB ARG 111 1.026 -15.836 -9.485 667 2HB ARG 111 2HB ARG 111 0.211 -17.279 -8.906 668 1HG ARG 111 1HG ARG 111 -0.312 -17.965 -11.129 669 2HG ARG 111 2HG ARG 111 0.251 -16.427 -11.792 670 1HD ARG 111 1HD ARG 111 2.518 -16.920 -11.063 671 2HD ARG 111 2HD ARG 111 1.973 -18.422 -10.321 672 HE ARG 111 HE ARG 111 1.303 -19.045 -12.695 673 1HH1 ARG 111 1HH1 ARG 111 4.015 -16.945 -11.958 674 2HH1 ARG 111 2HH1 ARG 111 4.921 -17.422 -13.363 675 1HH2 ARG 111 1HH2 ARG 111 2.491 -19.681 -14.512 676 2HH2 ARG 111 2HH2 ARG 111 4.044 -18.959 -14.828 677 H ASP 112 H ASP 112 -2.141 -17.412 -11.171 678 HA ASP 112 HA ASP 112 -4.598 -17.799 -9.778 679 1HB ASP 112 1HB ASP 112 -3.346 -19.226 -12.115 680 2HB ASP 112 2HB ASP 112 -4.883 -19.733 -11.419 681 H SER 113 H SER 113 -3.537 -18.249 -7.735 682 HA SER 113 HA SER 113 -3.410 -21.134 -7.311 683 1HB SER 113 1HB SER 113 -1.359 -19.190 -6.201 684 2HB SER 113 2HB SER 113 -1.427 -20.924 -5.884 685 HG SER 113 HG SER 113 -1.387 -20.279 -8.559 686 H VAL 114 H VAL 114 -5.042 -21.466 -5.918 687 HA VAL 114 HA VAL 114 -6.022 -19.315 -4.295 688 HB VAL 114 HB VAL 114 -7.593 -21.082 -3.383 689 1HG1 VAL 114 1HG1 VAL 114 -8.933 -21.109 -5.475 690 2HG1 VAL 114 2HG1 VAL 114 -7.530 -20.474 -6.336 691 3HG1 VAL 114 3HG1 VAL 114 -8.298 -19.515 -5.072 692 1HG2 VAL 114 1HG2 VAL 114 -6.350 -22.687 -5.620 693 2HG2 VAL 114 2HG2 VAL 114 -7.825 -23.121 -4.757 694 3HG2 VAL 114 3HG2 VAL 114 -6.287 -23.067 -3.897 695 H ALA 115 H ALA 115 -4.595 -18.752 -2.800 696 HA ALA 115 HA ALA 115 -3.754 -20.777 -0.839 697 1HB ALA 115 1HB ALA 115 -1.835 -19.340 -0.347 698 2HB ALA 115 2HB ALA 115 -2.384 -18.188 -1.565 699 3HB ALA 115 3HB ALA 115 -1.870 -19.804 -2.048 700 H SER 116 H SER 116 -5.128 -20.679 0.796 701 HA SER 116 HA SER 116 -5.538 -18.089 2.091 702 1HB SER 116 1HB SER 116 -7.520 -18.639 0.625 703 2HB SER 116 2HB SER 116 -7.797 -20.055 1.636 704 HG SER 116 HG SER 116 -8.967 -18.682 2.734 705 H VAL 117 H VAL 117 -3.834 -19.064 3.407 706 HA VAL 117 HA VAL 117 -4.946 -21.011 5.300 707 HB VAL 117 HB VAL 117 -3.192 -22.113 4.097 708 1HG1 VAL 117 1HG1 VAL 117 -1.987 -20.223 3.201 709 2HG1 VAL 117 2HG1 VAL 117 -0.869 -21.268 4.080 710 3HG1 VAL 117 3HG1 VAL 117 -1.437 -19.770 4.815 711 1HG2 VAL 117 1HG2 VAL 117 -3.300 -22.594 6.475 712 2HG2 VAL 117 2HG2 VAL 117 -2.203 -21.253 6.808 713 3HG2 VAL 117 3HG2 VAL 117 -1.630 -22.655 5.908 714 H LEU 118 H LEU 118 -5.428 -20.084 7.112 715 HA LEU 118 HA LEU 118 -3.686 -17.954 8.163 716 1HB LEU 118 1HB LEU 118 -6.537 -18.648 8.887 717 2HB LEU 118 2HB LEU 118 -5.597 -17.357 9.610 718 HG LEU 118 HG LEU 118 -6.424 -17.489 6.707 719 1HD1 LEU 118 1HD1 LEU 118 -7.471 -15.822 8.991 720 2HD1 LEU 118 2HD1 LEU 118 -8.327 -17.126 8.167 721 3HD1 LEU 118 3HD1 LEU 118 -7.926 -15.647 7.297 722 1HD2 LEU 118 1HD2 LEU 118 -4.323 -16.303 7.007 723 2HD2 LEU 118 2HD2 LEU 118 -5.035 -15.329 8.293 724 3HD2 LEU 118 3HD2 LEU 118 -5.619 -15.166 6.636 725 H GLY 119 H GLY 119 -5.380 -20.950 8.916 726 1HA GLY 119 1HA GLY 119 -4.978 -22.573 10.486 727 2HA GLY 119 2HA GLY 119 -3.379 -21.873 10.686 728 H ASP 120 H ASP 120 -6.175 -19.897 11.159 729 HA ASP 120 HA ASP 120 -5.269 -19.240 13.785 730 1HB ASP 120 1HB ASP 120 -7.188 -17.664 13.814 731 2HB ASP 120 2HB ASP 120 -6.168 -17.478 12.397 732 H THR 121 H THR 121 -5.569 -20.594 15.380 733 HA THR 121 HA THR 121 -8.248 -21.761 15.725 734 HB THR 121 HB THR 121 -6.567 -23.504 15.235 735 HG1 THR 121 HG1 THR 121 -7.027 -24.795 17.103 736 1HG2 THR 121 1HG2 THR 121 -4.578 -22.415 16.134 737 2HG2 THR 121 2HG2 THR 121 -4.793 -24.012 16.853 738 3HG2 THR 121 3HG2 THR 121 -5.222 -22.567 17.770 739 H LEU 122 H LEU 122 -9.228 -21.459 17.677 740 HA LEU 122 HA LEU 122 -7.729 -19.919 19.686 741 1HB LEU 122 1HB LEU 122 -10.552 -19.422 18.727 742 2HB LEU 122 2HB LEU 122 -9.795 -18.598 20.077 743 HG LEU 122 HG LEU 122 -8.830 -18.458 17.221 744 1HD1 LEU 122 1HD1 LEU 122 -10.998 -17.376 17.473 745 2HD1 LEU 122 2HD1 LEU 122 -9.717 -16.193 17.212 746 3HD1 LEU 122 3HD1 LEU 122 -10.379 -16.434 18.830 747 1HD2 LEU 122 1HD2 LEU 122 -7.444 -16.613 18.032 748 2HD2 LEU 122 2HD2 LEU 122 -7.048 -18.131 18.836 749 3HD2 LEU 122 3HD2 LEU 122 -8.009 -16.914 19.675 750 HA PRO 123 HA PRO 123 -9.305 -23.209 22.262 751 1HB PRO 123 1HB PRO 123 -8.271 -22.280 24.598 752 2HB PRO 123 2HB PRO 123 -7.301 -23.120 23.384 753 1HG PRO 123 1HG PRO 123 -7.550 -20.185 23.908 754 2HG PRO 123 2HG PRO 123 -6.102 -21.139 23.538 755 1HD PRO 123 1HD PRO 123 -7.385 -19.640 21.680 756 2HD PRO 123 2HD PRO 123 -6.522 -21.138 21.278 757 H PHE 124 H PHE 124 -11.244 -23.402 23.193 758 HA PHE 124 HA PHE 124 -12.719 -21.012 23.915 759 1HB PHE 124 1HB PHE 124 -13.555 -23.918 23.843 760 2HB PHE 124 2HB PHE 124 -14.631 -22.567 24.180 761 HD1 PHE 124 HD1 PHE 124 -15.091 -20.896 22.392 762 HD2 PHE 124 HD2 PHE 124 -12.977 -24.508 21.635 763 HE1 PHE 124 HE1 PHE 124 -15.531 -20.644 19.985 764 HE2 PHE 124 HE2 PHE 124 -13.409 -24.261 19.224 765 HZ PHE 124 HZ PHE 124 -14.685 -22.325 18.396 766 H ALA 125 H ALA 125 -12.730 -20.245 25.899 767 HA ALA 125 HA ALA 125 -12.884 -21.981 28.199 768 1HB ALA 125 1HB ALA 125 -10.466 -21.880 27.837 769 2HB ALA 125 2HB ALA 125 -10.922 -21.037 29.319 770 3HB ALA 125 3HB ALA 125 -10.532 -20.117 27.865 Start of MODEL 5 1 H GLN 23 H GLN 23 -0.386 -6.145 -4.536 2 HA GLN 23 HA GLN 23 -1.223 -8.732 -3.562 3 1HB GLN 23 1HB GLN 23 0.882 -9.243 -4.771 4 2HB GLN 23 2HB GLN 23 1.722 -8.064 -3.772 5 1HG GLN 23 1HG GLN 23 1.301 -9.374 -1.797 6 2HG GLN 23 2HG GLN 23 0.337 -10.520 -2.725 7 1HE2 GLN 23 1HE2 GLN 23 2.756 -10.923 -1.120 8 2HE2 GLN 23 2HE2 GLN 23 3.920 -11.635 -2.184 9 HA PRO 24 HA PRO 24 -1.491 -6.099 0.002 10 1HB PRO 24 1HB PRO 24 -1.964 -8.590 1.478 11 2HB PRO 24 2HB PRO 24 -3.039 -7.212 1.230 12 1HG PRO 24 1HG PRO 24 -3.496 -9.550 0.024 13 2HG PRO 24 2HG PRO 24 -3.805 -8.009 -0.801 14 1HD PRO 24 1HD PRO 24 -1.440 -9.843 -1.052 15 2HD PRO 24 2HD PRO 24 -2.395 -9.062 -2.333 16 H ASP 25 H ASP 25 -0.982 -6.810 2.524 17 HA ASP 25 HA ASP 25 0.609 -6.981 4.134 18 1HB ASP 25 1HB ASP 25 1.314 -9.128 3.055 19 2HB ASP 25 2HB ASP 25 2.432 -8.212 2.050 20 H GLY 26 H GLY 26 0.164 -4.790 2.358 21 1HA GLY 26 1HA GLY 26 1.575 -2.806 3.347 22 2HA GLY 26 2HA GLY 26 2.748 -3.452 2.213 23 H VAL 27 H VAL 27 1.373 -0.845 2.246 24 HA VAL 27 HA VAL 27 0.072 -1.051 -0.389 25 HB VAL 27 HB VAL 27 -1.272 0.946 0.198 26 1HG1 VAL 27 1HG1 VAL 27 -2.246 -1.266 0.417 27 2HG1 VAL 27 2HG1 VAL 27 -2.848 -0.206 1.689 28 3HG1 VAL 27 3HG1 VAL 27 -1.609 -1.406 2.056 29 1HG2 VAL 27 1HG2 VAL 27 -1.470 1.591 2.573 30 2HG2 VAL 27 2HG2 VAL 27 0.128 1.925 1.905 31 3HG2 VAL 27 3HG2 VAL 27 -0.116 0.526 2.952 32 H GLN 28 H GLN 28 0.626 0.442 -1.945 33 HA GLN 28 HA GLN 28 2.789 2.310 -1.201 34 1HB GLN 28 1HB GLN 28 3.529 0.643 -2.815 35 2HB GLN 28 2HB GLN 28 2.181 1.032 -3.874 36 1HG GLN 28 1HG GLN 28 3.069 3.211 -4.307 37 2HG GLN 28 2HG GLN 28 4.338 2.981 -3.108 38 1HE2 GLN 28 1HE2 GLN 28 6.089 1.689 -3.594 39 2HE2 GLN 28 2HE2 GLN 28 6.447 1.194 -5.205 40 H ILE 29 H ILE 29 2.764 4.401 -2.158 41 HA ILE 29 HA ILE 29 0.097 5.484 -2.385 42 HB ILE 29 HB ILE 29 2.746 6.885 -2.778 43 1HG1 ILE 29 1HG1 ILE 29 1.001 6.723 -0.311 44 2HG1 ILE 29 2HG1 ILE 29 2.530 5.880 -0.522 45 1HG2 ILE 29 1HG2 ILE 29 -0.020 7.973 -2.269 46 2HG2 ILE 29 2HG2 ILE 29 0.888 8.087 -3.776 47 3HG2 ILE 29 3HG2 ILE 29 1.459 8.932 -2.339 48 1HD1 ILE 29 1HD1 ILE 29 2.776 7.870 0.857 49 2HD1 ILE 29 2HD1 ILE 29 2.170 8.866 -0.465 50 3HD1 ILE 29 3HD1 ILE 29 3.700 8.006 -0.639 51 H ASP 30 H ASP 30 -0.976 5.314 -4.205 52 HA ASP 30 HA ASP 30 0.135 4.774 -6.750 53 1HB ASP 30 1HB ASP 30 -2.179 4.193 -6.197 54 2HB ASP 30 2HB ASP 30 -2.579 5.889 -5.992 55 H SER 31 H SER 31 -1.648 7.637 -5.685 56 HA SER 31 HA SER 31 0.342 9.414 -6.777 57 1HB SER 31 1HB SER 31 -1.367 10.562 -8.261 58 2HB SER 31 2HB SER 31 -0.818 8.983 -8.823 59 HG SER 31 HG SER 31 -2.718 8.070 -8.192 60 H VAL 32 H VAL 32 -0.004 11.602 -6.182 61 HA VAL 32 HA VAL 32 -1.688 11.902 -3.827 62 HB VAL 32 HB VAL 32 0.684 12.659 -3.762 63 1HG1 VAL 32 1HG1 VAL 32 -0.218 14.737 -5.749 64 2HG1 VAL 32 2HG1 VAL 32 0.936 13.436 -6.043 65 3HG1 VAL 32 3HG1 VAL 32 1.331 14.725 -4.904 66 1HG2 VAL 32 1HG2 VAL 32 0.269 14.822 -2.706 67 2HG2 VAL 32 2HG2 VAL 32 -0.934 13.622 -2.231 68 3HG2 VAL 32 3HG2 VAL 32 -1.345 14.860 -3.419 69 H VAL 33 H VAL 33 -3.367 13.376 -3.691 70 HA VAL 33 HA VAL 33 -4.372 14.376 -6.251 71 HB VAL 33 HB VAL 33 -5.758 14.238 -3.559 72 1HG1 VAL 33 1HG1 VAL 33 -6.678 16.001 -4.964 73 2HG1 VAL 33 2HG1 VAL 33 -7.809 14.651 -4.853 74 3HG1 VAL 33 3HG1 VAL 33 -6.834 14.865 -6.308 75 1HG2 VAL 33 1HG2 VAL 33 -7.018 12.370 -4.536 76 2HG2 VAL 33 2HG2 VAL 33 -5.293 12.012 -4.437 77 3HG2 VAL 33 3HG2 VAL 33 -6.017 12.458 -5.984 78 HA PRO 34 HA PRO 34 -2.641 18.392 -5.202 79 1HB PRO 34 1HB PRO 34 -4.453 19.136 -7.446 80 2HB PRO 34 2HB PRO 34 -2.742 19.509 -7.209 81 1HG PRO 34 1HG PRO 34 -3.491 17.660 -8.969 82 2HG PRO 34 2HG PRO 34 -2.049 17.425 -7.964 83 1HD PRO 34 1HD PRO 34 -4.769 16.220 -7.688 84 2HD PRO 34 2HD PRO 34 -3.178 15.485 -7.409 85 H GLY 35 H GLY 35 -3.382 19.581 -3.609 86 1HA GLY 35 1HA GLY 35 -5.109 21.250 -2.965 87 2HA GLY 35 2HA GLY 35 -6.299 20.027 -3.397 88 H SER 36 H SER 36 -3.608 18.608 -2.010 89 HA SER 36 HA SER 36 -4.905 18.573 0.635 90 1HB SER 36 1HB SER 36 -4.113 16.225 0.846 91 2HB SER 36 2HB SER 36 -5.251 16.437 -0.483 92 HG SER 36 HG SER 36 -3.654 16.190 -1.931 93 HA PRO 37 HA PRO 37 -1.030 19.898 2.318 94 1HB PRO 37 1HB PRO 37 -1.094 18.694 4.759 95 2HB PRO 37 2HB PRO 37 -2.062 20.116 4.353 96 1HG PRO 37 1HG PRO 37 -2.864 17.231 4.403 97 2HG PRO 37 2HG PRO 37 -3.748 18.648 5.003 98 1HD PRO 37 1HD PRO 37 -4.331 17.491 2.640 99 2HD PRO 37 2HD PRO 37 -4.474 19.242 2.890 100 H ALA 38 H ALA 38 -1.758 16.580 1.864 101 HA ALA 38 HA ALA 38 0.514 15.339 2.922 102 1HB ALA 38 1HB ALA 38 -0.058 13.446 1.526 103 2HB ALA 38 2HB ALA 38 -1.114 14.459 0.540 104 3HB ALA 38 3HB ALA 38 -1.519 14.143 2.227 105 H SER 39 H SER 39 -0.036 16.893 -0.172 106 HA SER 39 HA SER 39 2.210 15.871 -1.525 107 1HB SER 39 1HB SER 39 0.248 16.934 -2.620 108 2HB SER 39 2HB SER 39 0.782 18.497 -2.005 109 HG SER 39 HG SER 39 1.633 18.396 -4.006 110 H LYS 40 H LYS 40 1.912 18.359 0.852 111 HA LYS 40 HA LYS 40 4.336 19.736 0.094 112 1HB LYS 40 1HB LYS 40 2.417 20.928 1.112 113 2HB LYS 40 2HB LYS 40 2.646 20.006 2.590 114 1HG LYS 40 1HG LYS 40 4.811 21.030 2.941 115 2HG LYS 40 2HG LYS 40 4.684 21.884 1.401 116 1HD LYS 40 1HD LYS 40 2.699 23.066 2.243 117 2HD LYS 40 2HD LYS 40 2.875 22.235 3.789 118 1HE LYS 40 1HE LYS 40 3.796 24.502 3.867 119 2HE LYS 40 2HE LYS 40 5.039 23.283 4.134 120 1HZ LYS 40 1HZ LYS 40 4.566 24.412 1.443 121 2HZ LYS 40 2HZ LYS 40 5.956 23.647 2.048 122 3HZ LYS 40 3HZ LYS 40 5.556 25.209 2.565 123 H VAL 41 H VAL 41 3.426 17.123 2.157 124 HA VAL 41 HA VAL 41 5.936 17.301 3.652 125 HB VAL 41 HB VAL 41 3.595 15.462 4.158 126 1HG1 VAL 41 1HG1 VAL 41 5.975 16.175 5.871 127 2HG1 VAL 41 2HG1 VAL 41 5.700 14.630 5.065 128 3HG1 VAL 41 3HG1 VAL 41 4.625 15.151 6.361 129 1HG2 VAL 41 1HG2 VAL 41 3.012 16.983 5.985 130 2HG2 VAL 41 2HG2 VAL 41 2.931 17.795 4.421 131 3HG2 VAL 41 3HG2 VAL 41 4.307 18.075 5.490 132 H LEU 42 H LEU 42 4.013 14.793 1.946 133 HA LEU 42 HA LEU 42 6.517 13.300 1.624 134 1HB LEU 42 1HB LEU 42 4.940 11.362 1.138 135 2HB LEU 42 2HB LEU 42 5.126 11.886 2.789 136 HG LEU 42 HG LEU 42 2.966 13.255 2.366 137 1HD1 LEU 42 1HD1 LEU 42 2.882 12.987 -0.051 138 2HD1 LEU 42 2HD1 LEU 42 1.460 12.269 0.709 139 3HD1 LEU 42 3HD1 LEU 42 2.770 11.237 0.134 140 1HD2 LEU 42 1HD2 LEU 42 2.867 10.249 2.473 141 2HD2 LEU 42 2HD2 LEU 42 1.604 11.357 3.010 142 3HD2 LEU 42 3HD2 LEU 42 3.158 11.316 3.845 143 H THR 43 H THR 43 6.140 11.650 -0.291 144 HA THR 43 HA THR 43 5.313 13.197 -2.653 145 HB THR 43 HB THR 43 7.252 11.929 -3.805 146 HG1 THR 43 HG1 THR 43 8.778 12.026 -1.554 147 1HG2 THR 43 1HG2 THR 43 8.836 13.708 -3.263 148 2HG2 THR 43 2HG2 THR 43 7.878 14.143 -1.848 149 3HG2 THR 43 3HG2 THR 43 7.212 14.362 -3.466 150 HA PRO 44 HA PRO 44 3.048 9.510 -3.725 151 1HB PRO 44 1HB PRO 44 2.894 9.900 -6.425 152 2HB PRO 44 2HB PRO 44 1.864 10.733 -5.258 153 1HG PRO 44 1HG PRO 44 4.346 11.699 -6.628 154 2HG PRO 44 2HG PRO 44 2.829 12.563 -6.315 155 1HD PRO 44 1HD PRO 44 5.020 12.933 -4.789 156 2HD PRO 44 2HD PRO 44 3.381 13.003 -4.115 157 H GLY 45 H GLY 45 3.477 7.468 -4.523 158 1HA GLY 45 1HA GLY 45 4.705 5.910 -5.850 159 2HA GLY 45 2HA GLY 45 6.018 7.075 -5.945 160 H LEU 46 H LEU 46 5.238 7.310 -2.853 161 HA LEU 46 HA LEU 46 7.371 5.562 -2.017 162 1HB LEU 46 1HB LEU 46 5.531 7.361 -0.440 163 2HB LEU 46 2HB LEU 46 6.856 6.455 0.259 164 HG LEU 46 HG LEU 46 7.107 8.657 -1.791 165 1HD1 LEU 46 1HD1 LEU 46 6.482 9.508 0.381 166 2HD1 LEU 46 2HD1 LEU 46 8.171 9.892 0.046 167 3HD1 LEU 46 3HD1 LEU 46 7.767 8.574 1.147 168 1HD2 LEU 46 1HD2 LEU 46 9.514 8.457 -1.375 169 2HD2 LEU 46 2HD2 LEU 46 8.840 6.991 -2.086 170 3HD2 LEU 46 3HD2 LEU 46 9.215 7.045 -0.363 171 H VAL 47 H VAL 47 7.099 4.074 -0.180 172 HA VAL 47 HA VAL 47 4.560 2.608 -0.363 173 HB VAL 47 HB VAL 47 7.191 1.681 0.814 174 1HG1 VAL 47 1HG1 VAL 47 4.694 0.144 0.116 175 2HG1 VAL 47 2HG1 VAL 47 5.273 0.514 1.741 176 3HG1 VAL 47 3HG1 VAL 47 6.207 -0.555 0.695 177 1HG2 VAL 47 1HG2 VAL 47 6.006 1.097 -1.899 178 2HG2 VAL 47 2HG2 VAL 47 7.448 0.335 -1.223 179 3HG2 VAL 47 3HG2 VAL 47 7.443 2.064 -1.572 180 H ILE 48 H ILE 48 3.293 2.305 1.433 181 HA ILE 48 HA ILE 48 4.093 3.820 3.831 182 HB ILE 48 HB ILE 48 1.341 2.906 2.980 183 1HG1 ILE 48 1HG1 ILE 48 2.593 5.662 2.954 184 2HG1 ILE 48 2HG1 ILE 48 2.252 4.678 1.532 185 1HG2 ILE 48 1HG2 ILE 48 1.536 3.023 5.389 186 2HG2 ILE 48 2HG2 ILE 48 0.531 4.345 4.793 187 3HG2 ILE 48 3HG2 ILE 48 2.199 4.652 5.278 188 1HD1 ILE 48 1HD1 ILE 48 -0.124 4.819 1.984 189 2HD1 ILE 48 2HD1 ILE 48 0.589 6.428 1.866 190 3HD1 ILE 48 3HD1 ILE 48 0.194 5.752 3.448 191 H GLU 49 H GLU 49 4.747 2.696 5.535 192 HA GLU 49 HA GLU 49 4.256 -0.144 5.703 193 1HB GLU 49 1HB GLU 49 5.666 1.723 7.604 194 2HB GLU 49 2HB GLU 49 5.574 -0.018 7.796 195 1HG GLU 49 1HG GLU 49 6.699 -0.186 5.538 196 2HG GLU 49 2HG GLU 49 7.022 1.543 5.683 197 H SER 50 H SER 50 3.343 2.748 7.542 198 HA SER 50 HA SER 50 1.066 1.331 8.610 199 1HB SER 50 1HB SER 50 1.773 2.040 10.989 200 2HB SER 50 2HB SER 50 2.553 0.627 10.283 201 HG SER 50 HG SER 50 3.585 3.173 10.802 202 H ILE 51 H ILE 51 -0.539 2.579 9.345 203 HA ILE 51 HA ILE 51 -0.182 5.503 9.177 204 HB ILE 51 HB ILE 51 -2.723 3.871 8.910 205 1HG1 ILE 51 1HG1 ILE 51 -1.296 3.765 6.917 206 2HG1 ILE 51 2HG1 ILE 51 -2.768 4.674 6.600 207 1HG2 ILE 51 1HG2 ILE 51 -2.309 6.851 8.739 208 2HG2 ILE 51 2HG2 ILE 51 -3.130 5.987 10.038 209 3HG2 ILE 51 3HG2 ILE 51 -3.823 6.006 8.415 210 1HD1 ILE 51 1HD1 ILE 51 -0.054 5.859 7.144 211 2HD1 ILE 51 2HD1 ILE 51 -1.531 6.765 6.808 212 3HD1 ILE 51 3HD1 ILE 51 -0.833 5.722 5.567 213 H ASN 52 H ASN 52 0.299 6.118 11.217 214 HA ASN 52 HA ASN 52 0.201 6.376 13.484 215 1HB ASN 52 1HB ASN 52 -2.352 6.608 12.860 216 2HB ASN 52 2HB ASN 52 -2.472 5.023 13.610 217 1HD2 ASN 52 1HD2 ASN 52 -1.925 8.387 14.115 218 2HD2 ASN 52 2HD2 ASN 52 -2.026 8.370 15.842 219 H GLY 53 H GLY 53 -1.138 4.446 15.330 220 1HA GLY 53 1HA GLY 53 0.902 2.429 15.340 221 2HA GLY 53 2HA GLY 53 -0.469 2.530 16.434 222 H MET 54 H MET 54 -1.529 2.661 13.260 223 HA MET 54 HA MET 54 -2.180 -0.211 13.296 224 1HB MET 54 1HB MET 54 -3.690 2.005 11.889 225 2HB MET 54 2HB MET 54 -4.176 0.322 12.019 226 1HG MET 54 1HG MET 54 -5.503 1.447 13.568 227 2HG MET 54 2HG MET 54 -4.233 0.697 14.532 228 1HE MET 54 1HE MET 54 -6.117 3.037 15.604 229 2HE MET 54 2HE MET 54 -4.950 4.061 16.442 230 3HE MET 54 3HE MET 54 -4.846 2.304 16.580 231 HA PRO 55 HA PRO 55 0.541 0.059 9.679 232 1HB PRO 55 1HB PRO 55 1.040 -2.599 9.524 233 2HB PRO 55 2HB PRO 55 1.906 -1.512 10.610 234 1HG PRO 55 1HG PRO 55 -0.319 -3.406 11.200 235 2HG PRO 55 2HG PRO 55 1.100 -3.005 12.181 236 1HD PRO 55 1HD PRO 55 -1.402 -1.985 12.632 237 2HD PRO 55 2HD PRO 55 0.098 -1.158 13.093 238 H THR 56 H THR 56 -0.246 0.193 7.696 239 HA THR 56 HA THR 56 -2.718 -1.206 7.061 240 HB THR 56 HB THR 56 -2.634 0.305 4.999 241 HG1 THR 56 HG1 THR 56 -0.385 0.817 5.186 242 1HG2 THR 56 1HG2 THR 56 -4.076 0.761 6.925 243 2HG2 THR 56 2HG2 THR 56 -3.426 2.257 6.253 244 3HG2 THR 56 3HG2 THR 56 -2.744 1.584 7.734 245 H SER 57 H SER 57 -2.161 -3.255 6.517 246 HA SER 57 HA SER 57 -0.122 -3.702 4.469 247 1HB SER 57 1HB SER 57 -1.804 -5.741 5.959 248 2HB SER 57 2HB SER 57 -0.330 -6.043 5.037 249 HG SER 57 HG SER 57 0.869 -5.049 6.589 250 H ASN 58 H ASN 58 -3.517 -3.385 4.811 251 HA ASN 58 HA ASN 58 -3.893 -4.448 2.088 252 1HB ASN 58 1HB ASN 58 -5.896 -4.550 4.357 253 2HB ASN 58 2HB ASN 58 -6.194 -5.080 2.709 254 1HD2 ASN 58 1HD2 ASN 58 -6.398 -6.559 5.162 255 2HD2 ASN 58 2HD2 ASN 58 -5.319 -7.907 5.017 256 H LEU 59 H LEU 59 -5.781 -3.467 0.961 257 HA LEU 59 HA LEU 59 -5.719 -0.626 1.219 258 1HB LEU 59 1HB LEU 59 -7.315 -2.507 -0.515 259 2HB LEU 59 2HB LEU 59 -7.377 -0.773 -0.649 260 HG LEU 59 HG LEU 59 -4.944 -2.476 -1.108 261 1HD1 LEU 59 1HD1 LEU 59 -6.608 -2.689 -2.877 262 2HD1 LEU 59 2HD1 LEU 59 -5.176 -1.824 -3.436 263 3HD1 LEU 59 3HD1 LEU 59 -6.650 -0.933 -3.054 264 1HD2 LEU 59 1HD2 LEU 59 -4.375 -0.295 -0.176 265 2HD2 LEU 59 2HD2 LEU 59 -5.317 0.495 -1.439 266 3HD2 LEU 59 3HD2 LEU 59 -3.873 -0.426 -1.860 267 H THR 60 H THR 60 -7.840 -3.226 2.142 268 HA THR 60 HA THR 60 -10.115 -1.668 2.782 269 HB THR 60 HB THR 60 -9.349 -4.311 4.038 270 HG1 THR 60 HG1 THR 60 -10.309 -5.277 2.225 271 1HG2 THR 60 1HG2 THR 60 -12.032 -3.068 3.405 272 2HG2 THR 60 2HG2 THR 60 -11.305 -3.193 5.007 273 3HG2 THR 60 3HG2 THR 60 -11.773 -4.652 4.134 274 H THR 61 H THR 61 -7.293 -2.728 4.672 275 HA THR 61 HA THR 61 -8.308 -1.762 7.148 276 HB THR 61 HB THR 61 -5.717 -1.838 7.697 277 HG1 THR 61 HG1 THR 61 -4.943 -3.679 6.272 278 1HG2 THR 61 1HG2 THR 61 -7.393 -4.297 7.184 279 2HG2 THR 61 2HG2 THR 61 -7.419 -3.315 8.648 280 3HG2 THR 61 3HG2 THR 61 -5.966 -4.220 8.219 281 H TYR 62 H TYR 62 -6.466 -0.339 4.534 282 HA TYR 62 HA TYR 62 -5.743 2.058 5.828 283 1HB TYR 62 1HB TYR 62 -4.819 1.401 3.644 284 2HB TYR 62 2HB TYR 62 -6.408 1.579 2.911 285 HD1 TYR 62 HD1 TYR 62 -3.783 3.514 4.721 286 HD2 TYR 62 HD2 TYR 62 -7.044 3.622 1.985 287 HE1 TYR 62 HE1 TYR 62 -3.293 5.874 4.239 288 HE2 TYR 62 HE2 TYR 62 -6.560 5.983 1.495 289 HH TYR 62 HH TYR 62 -5.440 7.879 2.472 290 H SER 63 H SER 63 -8.638 1.057 4.081 291 HA SER 63 HA SER 63 -10.045 3.500 4.328 292 1HB SER 63 1HB SER 63 -10.572 1.494 2.788 293 2HB SER 63 2HB SER 63 -11.335 0.769 4.200 294 HG SER 63 HG SER 63 -12.822 1.939 2.882 295 H ALA 64 H ALA 64 -9.921 0.565 6.321 296 HA ALA 64 HA ALA 64 -11.869 1.323 8.204 297 1HB ALA 64 1HB ALA 64 -10.869 -0.384 9.647 298 2HB ALA 64 2HB ALA 64 -9.466 -0.464 8.581 299 3HB ALA 64 3HB ALA 64 -11.051 -0.971 7.994 300 H ALA 65 H ALA 65 -8.447 2.026 7.941 301 HA ALA 65 HA ALA 65 -8.177 3.254 10.488 302 1HB ALA 65 1HB ALA 65 -6.575 3.692 7.963 303 2HB ALA 65 2HB ALA 65 -6.233 2.500 9.218 304 3HB ALA 65 3HB ALA 65 -6.114 4.222 9.579 305 H LEU 66 H LEU 66 -8.779 4.521 7.231 306 HA LEU 66 HA LEU 66 -8.783 7.225 7.840 307 1HB LEU 66 1HB LEU 66 -9.808 5.488 5.684 308 2HB LEU 66 2HB LEU 66 -10.474 7.090 5.772 309 HG LEU 66 HG LEU 66 -7.559 6.395 5.450 310 1HD1 LEU 66 1HD1 LEU 66 -7.827 7.445 3.242 311 2HD1 LEU 66 2HD1 LEU 66 -9.554 7.631 3.554 312 3HD1 LEU 66 3HD1 LEU 66 -8.848 6.019 3.434 313 1HD2 LEU 66 1HD2 LEU 66 -8.903 9.089 5.590 314 2HD2 LEU 66 2HD2 LEU 66 -7.212 8.804 5.177 315 3HD2 LEU 66 3HD2 LEU 66 -7.807 8.404 6.788 316 H LYS 67 H LYS 67 -11.369 4.848 8.021 317 HA LYS 67 HA LYS 67 -13.399 6.794 8.517 318 1HB LYS 67 1HB LYS 67 -13.284 3.829 8.416 319 2HB LYS 67 2HB LYS 67 -14.616 4.562 9.296 320 1HG LYS 67 1HG LYS 67 -15.295 4.101 7.039 321 2HG LYS 67 2HG LYS 67 -15.215 5.845 7.287 322 1HD LYS 67 1HD LYS 67 -13.077 5.940 6.150 323 2HD LYS 67 2HD LYS 67 -13.067 4.184 5.971 324 1HE LYS 67 1HE LYS 67 -15.034 6.111 4.736 325 2HE LYS 67 2HE LYS 67 -13.756 5.231 3.898 326 1HZ LYS 67 1HZ LYS 67 -16.174 4.087 5.189 327 2HZ LYS 67 2HZ LYS 67 -14.886 3.146 4.618 328 3HZ LYS 67 3HZ LYS 67 -15.792 4.084 3.538 329 H THR 68 H THR 68 -10.979 5.598 10.497 330 HA THR 68 HA THR 68 -12.629 6.070 12.883 331 HB THR 68 HB THR 68 -10.689 4.938 14.109 332 HG1 THR 68 HG1 THR 68 -10.250 3.784 11.543 333 1HG2 THR 68 1HG2 THR 68 -12.448 3.343 12.248 334 2HG2 THR 68 2HG2 THR 68 -12.890 3.927 13.853 335 3HG2 THR 68 3HG2 THR 68 -11.629 2.707 13.673 336 H ILE 69 H ILE 69 -10.152 7.394 10.994 337 HA ILE 69 HA ILE 69 -8.800 8.862 13.045 338 HB ILE 69 HB ILE 69 -8.951 9.589 10.112 339 1HG1 ILE 69 1HG1 ILE 69 -8.195 7.274 10.305 340 2HG1 ILE 69 2HG1 ILE 69 -6.862 8.318 9.826 341 1HG2 ILE 69 1HG2 ILE 69 -6.929 10.220 12.256 342 2HG2 ILE 69 2HG2 ILE 69 -8.056 11.347 11.502 343 3HG2 ILE 69 3HG2 ILE 69 -6.757 10.628 10.549 344 1HD1 ILE 69 1HD1 ILE 69 -6.159 6.669 11.454 345 2HD1 ILE 69 2HD1 ILE 69 -7.367 7.258 12.594 346 3HD1 ILE 69 3HD1 ILE 69 -6.026 8.298 12.115 347 H SER 70 H SER 70 -9.044 11.046 13.596 348 HA SER 70 HA SER 70 -11.722 12.110 13.286 349 1HB SER 70 1HB SER 70 -9.404 13.466 14.662 350 2HB SER 70 2HB SER 70 -11.126 13.645 14.990 351 HG SER 70 HG SER 70 -9.362 11.870 16.010 352 H VAL 71 H VAL 71 -11.994 14.447 12.697 353 HA VAL 71 HA VAL 71 -10.568 15.020 10.245 354 HB VAL 71 HB VAL 71 -12.632 16.732 11.637 355 1HG1 VAL 71 1HG1 VAL 71 -12.999 17.667 9.402 356 2HG1 VAL 71 2HG1 VAL 71 -11.712 16.643 8.766 357 3HG1 VAL 71 3HG1 VAL 71 -11.337 17.905 9.940 358 1HG2 VAL 71 1HG2 VAL 71 -13.055 14.599 9.546 359 2HG2 VAL 71 2HG2 VAL 71 -14.289 15.701 10.157 360 3HG2 VAL 71 3HG2 VAL 71 -13.557 14.513 11.236 361 H GLY 72 H GLY 72 -8.783 16.255 10.130 362 1HA GLY 72 1HA GLY 72 -7.334 18.005 10.615 363 2HA GLY 72 2HA GLY 72 -8.407 18.498 11.920 364 H GLU 73 H GLU 73 -7.427 15.219 11.723 365 HA GLU 73 HA GLU 73 -5.932 15.526 14.214 366 1HB GLU 73 1HB GLU 73 -7.809 13.897 14.108 367 2HB GLU 73 2HB GLU 73 -6.931 13.035 12.859 368 1HG GLU 73 1HG GLU 73 -5.245 12.357 14.351 369 2HG GLU 73 2HG GLU 73 -5.794 13.484 15.591 370 H VAL 74 H VAL 74 -3.880 14.546 14.469 371 HA VAL 74 HA VAL 74 -2.397 14.481 11.935 372 HB VAL 74 HB VAL 74 -1.315 14.765 14.746 373 1HG1 VAL 74 1HG1 VAL 74 0.035 15.117 12.069 374 2HG1 VAL 74 2HG1 VAL 74 0.296 13.781 13.189 375 3HG1 VAL 74 3HG1 VAL 74 0.771 15.417 13.642 376 1HG2 VAL 74 1HG2 VAL 74 -1.756 16.854 12.612 377 2HG2 VAL 74 2HG2 VAL 74 -0.935 17.118 14.149 378 3HG2 VAL 74 3HG2 VAL 74 -2.651 16.707 14.125 379 H ILE 75 H ILE 75 -1.800 12.591 11.164 380 HA ILE 75 HA ILE 75 -1.588 10.307 13.016 381 HB ILE 75 HB ILE 75 -2.045 8.866 11.035 382 1HG1 ILE 75 1HG1 ILE 75 -2.752 11.494 9.701 383 2HG1 ILE 75 2HG1 ILE 75 -1.376 10.481 9.290 384 1HG2 ILE 75 1HG2 ILE 75 -4.171 10.872 11.760 385 2HG2 ILE 75 2HG2 ILE 75 -3.805 9.369 12.607 386 3HG2 ILE 75 3HG2 ILE 75 -4.466 9.322 10.972 387 1HD1 ILE 75 1HD1 ILE 75 -2.889 8.701 8.598 388 2HD1 ILE 75 2HD1 ILE 75 -3.182 10.192 7.700 389 3HD1 ILE 75 3HD1 ILE 75 -4.268 9.719 9.007 390 H ASN 76 H ASN 76 0.032 8.745 12.581 391 HA ASN 76 HA ASN 76 2.457 9.915 11.465 392 1HB ASN 76 1HB ASN 76 2.761 9.005 13.645 393 2HB ASN 76 2HB ASN 76 1.901 7.530 13.228 394 1HD2 ASN 76 1HD2 ASN 76 3.553 6.215 13.876 395 2HD2 ASN 76 2HD2 ASN 76 5.036 6.066 13.000 396 H ILE 77 H ILE 77 3.006 9.492 9.455 397 HA ILE 77 HA ILE 77 2.175 6.916 8.276 398 HB ILE 77 HB ILE 77 2.766 9.492 6.800 399 1HG1 ILE 77 1HG1 ILE 77 0.117 8.133 7.372 400 2HG1 ILE 77 2HG1 ILE 77 0.673 9.641 8.091 401 1HG2 ILE 77 1HG2 ILE 77 3.296 7.527 5.484 402 2HG2 ILE 77 2HG2 ILE 77 1.834 8.289 4.856 403 3HG2 ILE 77 3HG2 ILE 77 1.716 6.832 5.842 404 1HD1 ILE 77 1HD1 ILE 77 -0.943 10.008 6.302 405 2HD1 ILE 77 2HD1 ILE 77 0.137 9.198 5.167 406 3HD1 ILE 77 3HD1 ILE 77 0.628 10.715 5.921 407 H THR 78 H THR 78 3.866 5.627 8.506 408 HA THR 78 HA THR 78 6.567 6.647 8.116 409 HB THR 78 HB THR 78 5.736 3.816 8.772 410 HG1 THR 78 HG1 THR 78 5.474 6.021 10.265 411 1HG2 THR 78 1HG2 THR 78 8.002 3.673 9.708 412 2HG2 THR 78 2HG2 THR 78 8.317 5.330 9.193 413 3HG2 THR 78 3HG2 THR 78 8.041 4.069 7.990 414 H THR 79 H THR 79 7.287 6.766 6.088 415 HA THR 79 HA THR 79 6.247 4.816 4.155 416 HB THR 79 HB THR 79 6.802 6.393 2.382 417 HG1 THR 79 HG1 THR 79 7.790 7.956 4.543 418 1HG2 THR 79 1HG2 THR 79 4.591 6.536 3.405 419 2HG2 THR 79 2HG2 THR 79 5.157 8.126 2.892 420 3HG2 THR 79 3HG2 THR 79 5.211 7.679 4.597 421 H ASP 80 H ASP 80 7.771 4.489 2.270 422 HA ASP 80 HA ASP 80 9.919 2.952 3.018 423 1HB ASP 80 1HB ASP 80 8.881 2.727 0.862 424 2HB ASP 80 2HB ASP 80 9.346 4.363 0.411 425 H GLN 81 H GLN 81 9.898 6.402 2.378 426 HA GLN 81 HA GLN 81 12.803 6.457 2.838 427 1HB GLN 81 1HB GLN 81 11.199 7.735 0.674 428 2HB GLN 81 2HB GLN 81 12.648 8.545 1.254 429 1HG GLN 81 1HG GLN 81 14.046 6.916 0.455 430 2HG GLN 81 2HG GLN 81 12.801 5.669 0.506 431 1HE2 GLN 81 1HE2 GLN 81 11.419 5.436 -1.175 432 2HE2 GLN 81 2HE2 GLN 81 11.643 6.214 -2.712 433 H GLY 82 H GLY 82 10.451 6.982 4.634 434 1HA GLY 82 1HA GLY 82 11.622 8.799 6.284 435 2HA GLY 82 2HA GLY 82 10.677 9.808 5.207 436 H THR 83 H THR 83 10.535 9.214 8.121 437 HA THR 83 HA THR 83 7.796 8.195 8.323 438 HB THR 83 HB THR 83 9.586 9.102 10.585 439 HG1 THR 83 HG1 THR 83 10.664 7.449 9.469 440 1HG2 THR 83 1HG2 THR 83 8.175 7.604 11.923 441 2HG2 THR 83 2HG2 THR 83 7.236 7.205 10.487 442 3HG2 THR 83 3HG2 THR 83 7.211 8.849 11.128 443 H PHE 84 H PHE 84 6.246 9.700 7.981 444 HA PHE 84 HA PHE 84 6.838 12.473 8.795 445 1HB PHE 84 1HB PHE 84 4.996 11.553 6.580 446 2HB PHE 84 2HB PHE 84 5.399 13.218 6.978 447 HD1 PHE 84 HD1 PHE 84 6.163 10.468 4.919 448 HD2 PHE 84 HD2 PHE 84 7.928 13.824 6.849 449 HE1 PHE 84 HE1 PHE 84 8.047 10.380 3.340 450 HE2 PHE 84 HE2 PHE 84 9.815 13.744 5.275 451 HZ PHE 84 HZ PHE 84 9.876 12.020 3.517 452 H HIS 85 H HIS 85 5.027 13.751 9.518 453 HA HIS 85 HA HIS 85 2.759 12.131 10.456 454 1HB HIS 85 1HB HIS 85 2.501 13.891 12.259 455 2HB HIS 85 2HB HIS 85 3.844 12.779 12.433 456 HD1 HIS 85 HD1 HIS 85 3.096 16.374 11.564 457 HD2 HIS 85 HD2 HIS 85 6.341 13.960 12.510 458 HE1 HIS 85 HE1 HIS 85 5.011 17.947 11.953 459 HE2 HIS 85 HE2 HIS 85 7.008 16.457 12.319 460 H LEU 86 H LEU 86 0.988 12.567 9.452 461 HA LEU 86 HA LEU 86 0.767 15.113 8.010 462 1HB LEU 86 1HB LEU 86 0.025 12.316 7.427 463 2HB LEU 86 2HB LEU 86 -1.094 13.536 6.887 464 HG LEU 86 HG LEU 86 0.392 12.972 5.081 465 1HD1 LEU 86 1HD1 LEU 86 1.114 15.652 6.247 466 2HD1 LEU 86 2HD1 LEU 86 -0.291 15.298 5.240 467 3HD1 LEU 86 3HD1 LEU 86 1.333 15.161 4.567 468 1HD2 LEU 86 1HD2 LEU 86 2.631 13.716 6.953 469 2HD2 LEU 86 2HD2 LEU 86 2.805 13.317 5.245 470 3HD2 LEU 86 3HD2 LEU 86 2.245 12.091 6.384 471 H LYS 87 H LYS 87 -1.148 16.260 8.047 472 HA LYS 87 HA LYS 87 -3.019 15.541 10.178 473 1HB LYS 87 1HB LYS 87 -2.171 17.841 10.262 474 2HB LYS 87 2HB LYS 87 -2.718 18.117 8.613 475 1HG LYS 87 1HG LYS 87 -5.054 17.681 9.401 476 2HG LYS 87 2HG LYS 87 -4.424 17.651 11.046 477 1HD LYS 87 1HD LYS 87 -4.134 19.979 9.154 478 2HD LYS 87 2HD LYS 87 -5.398 19.841 10.376 479 1HE LYS 87 1HE LYS 87 -3.633 19.696 12.112 480 2HE LYS 87 2HE LYS 87 -2.422 19.967 10.857 481 1HZ LYS 87 1HZ LYS 87 -3.423 22.106 10.385 482 2HZ LYS 87 2HZ LYS 87 -3.005 22.012 12.026 483 3HZ LYS 87 3HZ LYS 87 -4.624 21.838 11.554 484 H THR 88 H THR 88 -5.000 14.765 9.702 485 HA THR 88 HA THR 88 -5.739 14.267 6.987 486 HB THR 88 HB THR 88 -7.974 13.634 8.041 487 HG1 THR 88 HG1 THR 88 -7.838 13.365 10.360 488 1HG2 THR 88 1HG2 THR 88 -7.072 11.562 8.986 489 2HG2 THR 88 2HG2 THR 88 -5.465 12.286 9.046 490 3HG2 THR 88 3HG2 THR 88 -6.243 11.994 7.491 491 H GLY 89 H GLY 89 -6.915 15.462 5.631 492 1HA GLY 89 1HA GLY 89 -7.655 18.129 6.440 493 2HA GLY 89 2HA GLY 89 -7.746 17.455 4.817 494 H ARG 90 H ARG 90 -9.803 18.851 5.354 495 HA ARG 90 HA ARG 90 -11.826 17.245 6.647 496 1HB ARG 90 1HB ARG 90 -13.310 19.274 5.828 497 2HB ARG 90 2HB ARG 90 -12.311 19.377 7.261 498 1HG ARG 90 1HG ARG 90 -11.883 21.376 6.236 499 2HG ARG 90 2HG ARG 90 -10.549 20.394 5.641 500 1HD ARG 90 1HD ARG 90 -11.262 20.514 3.516 501 2HD ARG 90 2HD ARG 90 -12.953 20.287 3.975 502 HE ARG 90 HE ARG 90 -12.454 22.799 4.810 503 1HH1 ARG 90 1HH1 ARG 90 -11.996 21.174 1.727 504 2HH1 ARG 90 2HH1 ARG 90 -12.169 22.631 0.803 505 1HH2 ARG 90 1HH2 ARG 90 -12.716 24.704 3.585 506 2HH2 ARG 90 2HH2 ARG 90 -12.564 24.644 1.848 507 H ASN 91 H ASN 91 -11.358 18.673 3.422 508 HA ASN 91 HA ASN 91 -12.024 16.435 1.958 509 1HB ASN 91 1HB ASN 91 -14.324 17.016 1.156 510 2HB ASN 91 2HB ASN 91 -14.274 16.511 2.837 511 1HD2 ASN 91 1HD2 ASN 91 -16.028 17.507 3.590 512 2HD2 ASN 91 2HD2 ASN 91 -16.283 19.218 3.583 513 HA PRO 92 HA PRO 92 -10.757 19.300 -1.204 514 1HB PRO 92 1HB PRO 92 -12.278 17.860 -3.238 515 2HB PRO 92 2HB PRO 92 -10.530 17.969 -3.028 516 1HG PRO 92 1HG PRO 92 -11.918 15.682 -2.582 517 2HG PRO 92 2HG PRO 92 -10.440 16.099 -1.697 518 1HD PRO 92 1HD PRO 92 -13.299 16.347 -0.839 519 2HD PRO 92 2HD PRO 92 -11.885 15.803 0.090 520 H ASN 93 H ASN 93 -13.864 18.242 -2.505 521 HA ASN 93 HA ASN 93 -15.028 20.862 -1.933 522 1HB ASN 93 1HB ASN 93 -14.611 19.657 -4.625 523 2HB ASN 93 2HB ASN 93 -16.086 20.577 -4.344 524 1HD2 ASN 93 1HD2 ASN 93 -15.967 22.769 -3.978 525 2HD2 ASN 93 2HD2 ASN 93 -14.537 23.694 -4.298 526 H ASN 94 H ASN 94 -15.453 17.504 -2.818 527 HA ASN 94 HA ASN 94 -18.307 17.546 -2.558 528 1HB ASN 94 1HB ASN 94 -16.335 15.259 -2.758 529 2HB ASN 94 2HB ASN 94 -18.081 15.048 -2.711 530 1HD2 ASN 94 1HD2 ASN 94 -18.114 14.094 -4.739 531 2HD2 ASN 94 2HD2 ASN 94 -17.891 15.008 -6.189 532 H SER 95 H SER 95 -19.396 15.996 -1.045 533 HA SER 95 HA SER 95 -18.817 16.784 1.613 534 1HB SER 95 1HB SER 95 -20.695 15.042 2.084 535 2HB SER 95 2HB SER 95 -21.087 16.504 1.177 536 HG SER 95 HG SER 95 -21.309 15.362 -0.625 537 H SER 96 H SER 96 -17.161 16.014 2.728 538 HA SER 96 HA SER 96 -16.992 13.214 3.345 539 1HB SER 96 1HB SER 96 -14.655 14.567 1.952 540 2HB SER 96 2HB SER 96 -14.622 12.959 2.677 541 HG SER 96 HG SER 96 -16.704 13.189 0.970 542 H ARG 97 H ARG 97 -15.242 12.843 5.008 543 HA ARG 97 HA ARG 97 -14.272 15.214 6.364 544 1HB ARG 97 1HB ARG 97 -15.204 14.628 8.490 545 2HB ARG 97 2HB ARG 97 -16.525 14.680 7.340 546 1HG ARG 97 1HG ARG 97 -17.078 12.744 8.350 547 2HG ARG 97 2HG ARG 97 -15.919 12.073 7.201 548 1HD ARG 97 1HD ARG 97 -14.239 12.722 9.182 549 2HD ARG 97 2HD ARG 97 -15.701 12.453 10.130 550 HE ARG 97 HE ARG 97 -14.936 10.389 8.222 551 1HH1 ARG 97 1HH1 ARG 97 -15.005 11.458 11.561 552 2HH1 ARG 97 2HH1 ARG 97 -14.743 9.871 12.198 553 1HH2 ARG 97 1HH2 ARG 97 -14.557 8.332 9.047 554 2HH2 ARG 97 2HH2 ARG 97 -14.492 8.073 10.764 555 H ALA 98 H ALA 98 -12.461 14.770 7.719 556 HA ALA 98 HA ALA 98 -10.443 13.795 8.123 557 1HB ALA 98 1HB ALA 98 -10.473 11.542 9.029 558 2HB ALA 98 2HB ALA 98 -12.092 11.278 8.383 559 3HB ALA 98 3HB ALA 98 -11.836 12.468 9.660 560 H TYR 99 H TYR 99 -9.817 14.254 5.912 561 HA TYR 99 HA TYR 99 -9.993 11.930 4.105 562 1HB TYR 99 1HB TYR 99 -11.537 13.857 3.604 563 2HB TYR 99 2HB TYR 99 -10.111 14.844 3.314 564 HD1 TYR 99 HD1 TYR 99 -12.084 11.989 2.089 565 HD2 TYR 99 HD2 TYR 99 -8.902 14.687 1.254 566 HE1 TYR 99 HE1 TYR 99 -12.101 11.272 -0.260 567 HE2 TYR 99 HE2 TYR 99 -8.905 13.973 -1.098 568 HH TYR 99 HH TYR 99 -11.437 12.191 -2.456 569 H MET 100 H MET 100 -8.116 11.214 3.350 570 HA MET 100 HA MET 100 -5.796 13.021 3.362 571 1HB MET 100 1HB MET 100 -5.521 10.930 4.677 572 2HB MET 100 2HB MET 100 -5.842 9.994 3.223 573 1HG MET 100 1HG MET 100 -3.449 10.140 3.751 574 2HG MET 100 2HG MET 100 -3.846 10.835 2.180 575 1HE MET 100 1HE MET 100 -2.923 13.334 5.954 576 2HE MET 100 2HE MET 100 -2.885 11.573 5.906 577 3HE MET 100 3HE MET 100 -4.420 12.426 5.750 578 H GLY 101 H GLY 101 -5.117 13.746 1.440 579 1HA GLY 101 1HA GLY 101 -6.650 12.895 -0.871 580 2HA GLY 101 2HA GLY 101 -5.623 14.312 -0.766 581 H ILE 102 H ILE 102 -5.084 10.792 -0.444 582 HA ILE 102 HA ILE 102 -3.464 10.876 -2.866 583 HB ILE 102 HB ILE 102 -1.631 9.563 -1.915 584 1HG1 ILE 102 1HG1 ILE 102 -1.598 9.848 0.781 585 2HG1 ILE 102 2HG1 ILE 102 -3.326 9.642 0.519 586 1HG2 ILE 102 1HG2 ILE 102 -1.347 11.954 -2.035 587 2HG2 ILE 102 2HG2 ILE 102 -0.527 11.307 -0.615 588 3HG2 ILE 102 3HG2 ILE 102 -2.068 12.146 -0.437 589 1HD1 ILE 102 1HD1 ILE 102 -2.229 7.531 1.021 590 2HD1 ILE 102 2HD1 ILE 102 -1.173 7.737 -0.376 591 3HD1 ILE 102 3HD1 ILE 102 -2.909 7.524 -0.607 592 H ARG 103 H ARG 103 -3.367 8.900 -3.947 593 HA ARG 103 HA ARG 103 -5.421 6.994 -3.134 594 1HB ARG 103 1HB ARG 103 -3.733 7.107 -5.641 595 2HB ARG 103 2HB ARG 103 -5.025 5.955 -5.340 596 1HG ARG 103 1HG ARG 103 -6.570 7.942 -5.127 597 2HG ARG 103 2HG ARG 103 -5.241 8.917 -5.763 598 1HD ARG 103 1HD ARG 103 -6.649 8.304 -7.595 599 2HD ARG 103 2HD ARG 103 -5.153 7.380 -7.725 600 HE ARG 103 HE ARG 103 -7.638 6.238 -6.600 601 1HH1 ARG 103 1HH1 ARG 103 -4.807 5.999 -8.667 602 2HH1 ARG 103 2HH1 ARG 103 -5.199 4.396 -9.211 603 1HH2 ARG 103 1HH2 ARG 103 -8.138 4.147 -7.317 604 2HH2 ARG 103 2HH2 ARG 103 -7.082 3.337 -8.438 605 H THR 104 H THR 104 -5.035 4.856 -2.656 606 HA THR 104 HA THR 104 -2.212 4.138 -2.258 607 HB THR 104 HB THR 104 -3.274 2.476 -0.548 608 HG1 THR 104 HG1 THR 104 -5.149 4.416 0.001 609 1HG2 THR 104 1HG2 THR 104 -3.064 5.437 0.008 610 2HG2 THR 104 2HG2 THR 104 -1.749 4.263 0.079 611 3HG2 THR 104 3HG2 THR 104 -3.080 4.168 1.233 612 H SER 105 H SER 105 -1.510 2.153 -2.894 613 HA SER 105 HA SER 105 -3.460 0.326 -4.099 614 1HB SER 105 1HB SER 105 -2.467 1.654 -5.917 615 2HB SER 105 2HB SER 105 -0.853 1.195 -5.388 616 HG SER 105 HG SER 105 -2.875 -0.618 -6.252 617 H ASN 106 H ASN 106 -2.331 -1.808 -4.550 618 HA ASN 106 HA ASN 106 -0.576 -2.440 -2.287 619 1HB ASN 106 1HB ASN 106 -1.352 -4.853 -2.820 620 2HB ASN 106 2HB ASN 106 -2.467 -3.772 -1.997 621 1HD2 ASN 106 1HD2 ASN 106 -4.258 -4.908 -2.662 622 2HD2 ASN 106 2HD2 ASN 106 -4.832 -4.878 -4.296 623 H HIS 107 H HIS 107 0.360 -1.269 -4.640 624 HA HIS 107 HA HIS 107 1.710 -3.278 -6.194 625 1HB HIS 107 1HB HIS 107 1.093 -1.118 -7.193 626 2HB HIS 107 2HB HIS 107 2.112 -0.280 -6.034 627 HD1 HIS 107 HD1 HIS 107 4.167 0.507 -7.098 628 HD2 HIS 107 HD2 HIS 107 2.937 -3.141 -8.677 629 HE1 HIS 107 HE1 HIS 107 5.884 -0.094 -8.833 630 HE2 HIS 107 HE2 HIS 107 5.216 -2.375 -9.659 631 H LEU 108 H LEU 108 2.903 -4.490 -4.729 632 HA LEU 108 HA LEU 108 4.716 -3.264 -2.883 633 1HB LEU 108 1HB LEU 108 4.806 -6.119 -3.838 634 2HB LEU 108 2HB LEU 108 5.460 -5.469 -2.348 635 HG LEU 108 HG LEU 108 2.562 -5.833 -3.037 636 1HD1 LEU 108 1HD1 LEU 108 2.606 -7.459 -1.217 637 2HD1 LEU 108 2HD1 LEU 108 4.333 -7.171 -1.004 638 3HD1 LEU 108 3HD1 LEU 108 3.737 -7.891 -2.500 639 1HD2 LEU 108 1HD2 LEU 108 3.782 -4.748 -0.504 640 2HD2 LEU 108 2HD2 LEU 108 2.067 -5.089 -0.778 641 3HD2 LEU 108 3HD2 LEU 108 2.877 -3.814 -1.695 642 H ARG 109 H ARG 109 6.938 -4.817 -3.116 643 HA ARG 109 HA ARG 109 8.296 -3.540 -5.353 644 1HB ARG 109 1HB ARG 109 9.316 -5.097 -2.976 645 2HB ARG 109 2HB ARG 109 10.357 -4.437 -4.230 646 1HG ARG 109 1HG ARG 109 9.847 -2.220 -3.638 647 2HG ARG 109 2HG ARG 109 8.474 -2.718 -2.646 648 1HD ARG 109 1HD ARG 109 11.335 -3.452 -2.050 649 2HD ARG 109 2HD ARG 109 10.521 -2.047 -1.364 650 HE ARG 109 HE ARG 109 8.968 -4.355 -0.897 651 1HH1 ARG 109 1HH1 ARG 109 11.955 -2.829 0.146 652 2HH1 ARG 109 2HH1 ARG 109 11.920 -3.555 1.731 653 1HH2 ARG 109 1HH2 ARG 109 8.910 -5.293 1.189 654 2HH2 ARG 109 2HH2 ARG 109 10.178 -4.941 2.327 655 H VAL 110 H VAL 110 7.754 -4.651 -7.146 656 HA VAL 110 HA VAL 110 7.607 -7.477 -7.316 657 HB VAL 110 HB VAL 110 8.024 -5.494 -9.556 658 1HG1 VAL 110 1HG1 VAL 110 6.876 -8.280 -9.582 659 2HG1 VAL 110 2HG1 VAL 110 8.448 -7.801 -10.223 660 3HG1 VAL 110 3HG1 VAL 110 6.969 -7.191 -10.965 661 1HG2 VAL 110 1HG2 VAL 110 5.462 -6.537 -8.362 662 2HG2 VAL 110 2HG2 VAL 110 5.584 -5.539 -9.812 663 3HG2 VAL 110 3HG2 VAL 110 6.072 -4.886 -8.247 664 H ARG 111 H ARG 111 9.150 -8.942 -7.708 665 HA ARG 111 HA ARG 111 11.880 -7.956 -8.206 666 1HB ARG 111 1HB ARG 111 12.690 -9.793 -6.760 667 2HB ARG 111 2HB ARG 111 11.673 -8.646 -5.901 668 1HG ARG 111 1HG ARG 111 9.763 -10.249 -6.250 669 2HG ARG 111 2HG ARG 111 10.961 -11.413 -6.823 670 1HD ARG 111 1HD ARG 111 12.133 -11.270 -4.695 671 2HD ARG 111 2HD ARG 111 10.974 -10.073 -4.120 672 HE ARG 111 HE ARG 111 10.368 -12.913 -4.666 673 1HH1 ARG 111 1HH1 ARG 111 9.645 -9.880 -3.065 674 2HH1 ARG 111 2HH1 ARG 111 8.399 -10.549 -2.056 675 1HH2 ARG 111 1HH2 ARG 111 8.698 -13.803 -3.360 676 2HH2 ARG 111 2HH2 ARG 111 7.844 -12.771 -2.246 677 H ASP 112 H ASP 112 9.455 -9.571 -9.575 678 HA ASP 112 HA ASP 112 10.923 -10.583 -11.705 679 1HB ASP 112 1HB ASP 112 11.544 -12.358 -10.014 680 2HB ASP 112 2HB ASP 112 9.839 -12.792 -9.933 681 H SER 113 H SER 113 9.486 -11.672 -13.254 682 HA SER 113 HA SER 113 6.894 -10.519 -13.287 683 1HB SER 113 1HB SER 113 8.051 -12.712 -15.037 684 2HB SER 113 2HB SER 113 6.601 -11.767 -15.387 685 HG SER 113 HG SER 113 9.287 -11.031 -15.524 686 H VAL 114 H VAL 114 5.756 -11.222 -11.492 687 HA VAL 114 HA VAL 114 5.553 -14.030 -10.873 688 HB VAL 114 HB VAL 114 4.070 -13.288 -9.028 689 1HG1 VAL 114 1HG1 VAL 114 5.801 -12.172 -7.735 690 2HG1 VAL 114 2HG1 VAL 114 6.684 -11.798 -9.215 691 3HG1 VAL 114 3HG1 VAL 114 6.482 -13.477 -8.707 692 1HG2 VAL 114 1HG2 VAL 114 3.831 -10.903 -8.550 693 2HG2 VAL 114 2HG2 VAL 114 3.091 -11.321 -10.096 694 3HG2 VAL 114 3HG2 VAL 114 4.659 -10.513 -10.057 695 H ALA 115 H ALA 115 3.834 -15.334 -11.062 696 HA ALA 115 HA ALA 115 1.949 -16.253 -11.884 697 1HB ALA 115 1HB ALA 115 0.878 -14.698 -10.324 698 2HB ALA 115 2HB ALA 115 -0.114 -14.997 -11.752 699 3HB ALA 115 3HB ALA 115 0.785 -13.487 -11.604 700 H SER 116 H SER 116 1.265 -13.128 -13.340 701 HA SER 116 HA SER 116 2.186 -13.806 -15.943 702 1HB SER 116 1HB SER 116 -0.148 -13.819 -16.971 703 2HB SER 116 2HB SER 116 0.312 -15.272 -16.083 704 HG SER 116 HG SER 116 -0.801 -13.610 -14.352 705 H VAL 117 H VAL 117 3.066 -11.812 -16.113 706 HA VAL 117 HA VAL 117 1.279 -9.513 -15.759 707 HB VAL 117 HB VAL 117 3.427 -8.154 -15.675 708 1HG1 VAL 117 1HG1 VAL 117 2.853 -10.189 -13.523 709 2HG1 VAL 117 2HG1 VAL 117 2.135 -8.585 -13.685 710 3HG1 VAL 117 3HG1 VAL 117 3.850 -8.749 -13.308 711 1HG2 VAL 117 1HG2 VAL 117 4.939 -9.816 -16.628 712 2HG2 VAL 117 2HG2 VAL 117 4.634 -10.891 -15.263 713 3HG2 VAL 117 3HG2 VAL 117 5.456 -9.351 -15.006 714 H LEU 118 H LEU 118 0.318 -9.609 -17.755 715 HA LEU 118 HA LEU 118 2.056 -8.812 -20.003 716 1HB LEU 118 1HB LEU 118 -0.538 -10.365 -20.106 717 2HB LEU 118 2HB LEU 118 0.359 -9.810 -21.503 718 HG LEU 118 HG LEU 118 1.365 -11.817 -19.484 719 1HD1 LEU 118 1HD1 LEU 118 1.074 -13.447 -21.280 720 2HD1 LEU 118 2HD1 LEU 118 0.372 -12.197 -22.305 721 3HD1 LEU 118 3HD1 LEU 118 -0.463 -12.703 -20.835 722 1HD2 LEU 118 1HD2 LEU 118 2.539 -10.859 -22.090 723 2HD2 LEU 118 2HD2 LEU 118 3.173 -12.172 -21.096 724 3HD2 LEU 118 3HD2 LEU 118 3.164 -10.522 -20.475 725 H GLY 119 H GLY 119 -1.105 -8.493 -18.462 726 1HA GLY 119 1HA GLY 119 -1.860 -6.196 -18.035 727 2HA GLY 119 2HA GLY 119 -1.311 -5.800 -19.658 728 H ASP 120 H ASP 120 -3.988 -5.752 -18.202 729 HA ASP 120 HA ASP 120 -5.640 -7.558 -19.691 730 1HB ASP 120 1HB ASP 120 -6.314 -5.138 -18.003 731 2HB ASP 120 2HB ASP 120 -7.525 -6.138 -18.794 732 H THR 121 H THR 121 -5.662 -7.298 -21.846 733 HA THR 121 HA THR 121 -5.478 -4.781 -23.136 734 HB THR 121 HB THR 121 -6.294 -6.085 -25.168 735 HG1 THR 121 HG1 THR 121 -6.230 -8.379 -24.913 736 1HG2 THR 121 1HG2 THR 121 -3.859 -7.103 -23.699 737 2HG2 THR 121 2HG2 THR 121 -3.925 -5.666 -24.717 738 3HG2 THR 121 3HG2 THR 121 -4.163 -7.261 -25.429 739 H LEU 122 H LEU 122 -6.971 -3.285 -22.895 740 HA LEU 122 HA LEU 122 -9.681 -3.897 -22.226 741 1HB LEU 122 1HB LEU 122 -8.441 -1.264 -23.046 742 2HB LEU 122 2HB LEU 122 -10.019 -1.470 -22.311 743 HG LEU 122 HG LEU 122 -7.376 -2.096 -20.991 744 1HD1 LEU 122 1HD1 LEU 122 -7.910 -0.183 -19.555 745 2HD1 LEU 122 2HD1 LEU 122 -9.339 0.146 -20.536 746 3HD1 LEU 122 3HD1 LEU 122 -7.730 0.292 -21.243 747 1HD2 LEU 122 1HD2 LEU 122 -10.178 -2.177 -19.875 748 2HD2 LEU 122 2HD2 LEU 122 -8.688 -2.456 -18.973 749 3HD2 LEU 122 3HD2 LEU 122 -9.174 -3.581 -20.243 750 HA PRO 123 HA PRO 123 -11.595 -4.502 -26.125 751 1HB PRO 123 1HB PRO 123 -13.769 -2.750 -25.767 752 2HB PRO 123 2HB PRO 123 -13.730 -4.468 -25.364 753 1HG PRO 123 1HG PRO 123 -13.327 -2.099 -23.609 754 2HG PRO 123 2HG PRO 123 -14.077 -3.664 -23.238 755 1HD PRO 123 1HD PRO 123 -11.621 -3.071 -22.362 756 2HD PRO 123 2HD PRO 123 -12.024 -4.709 -22.915 757 H PHE 124 H PHE 124 -10.649 -3.676 -27.860 758 HA PHE 124 HA PHE 124 -10.754 -0.755 -28.245 759 1HB PHE 124 1HB PHE 124 -8.450 -1.717 -28.001 760 2HB PHE 124 2HB PHE 124 -8.746 -2.677 -29.447 761 HD1 PHE 124 HD1 PHE 124 -8.588 -1.717 -31.617 762 HD2 PHE 124 HD2 PHE 124 -8.313 0.744 -28.157 763 HE1 PHE 124 HE1 PHE 124 -7.794 0.146 -33.010 764 HE2 PHE 124 HE2 PHE 124 -7.520 2.612 -29.546 765 HZ PHE 124 HZ PHE 124 -7.257 2.316 -31.977 766 H ALA 125 H ALA 125 -12.644 -0.618 -29.340 767 HA ALA 125 HA ALA 125 -12.620 -1.411 -32.095 768 1HB ALA 125 1HB ALA 125 -14.685 -2.733 -32.028 769 2HB ALA 125 2HB ALA 125 -14.691 -2.631 -30.266 770 3HB ALA 125 3HB ALA 125 -13.398 -3.498 -31.096 Start of MODEL 6 1 H GLN 23 H GLN 23 2.749 -6.151 -5.670 2 HA GLN 23 HA GLN 23 1.807 -8.048 -4.873 3 1HB GLN 23 1HB GLN 23 4.065 -7.645 -2.931 4 2HB GLN 23 2HB GLN 23 2.933 -8.970 -2.710 5 1HG GLN 23 1HG GLN 23 4.839 -9.806 -3.862 6 2HG GLN 23 2HG GLN 23 3.493 -9.764 -4.994 7 1HE2 GLN 23 1HE2 GLN 23 4.807 -9.760 -6.777 8 2HE2 GLN 23 2HE2 GLN 23 5.755 -8.390 -7.248 9 HA PRO 24 HA PRO 24 -1.056 -6.972 -1.585 10 1HB PRO 24 1HB PRO 24 -1.253 -9.620 -0.461 11 2HB PRO 24 2HB PRO 24 -2.386 -8.800 -1.533 12 1HG PRO 24 1HG PRO 24 -0.896 -10.989 -2.251 13 2HG PRO 24 2HG PRO 24 -1.538 -9.799 -3.395 14 1HD PRO 24 1HD PRO 24 1.223 -10.054 -2.276 15 2HD PRO 24 2HD PRO 24 0.708 -9.622 -3.921 16 H ASP 25 H ASP 25 -1.451 -7.163 0.833 17 HA ASP 25 HA ASP 25 -0.803 -6.985 2.993 18 1HB ASP 25 1HB ASP 25 0.206 -9.302 2.512 19 2HB ASP 25 2HB ASP 25 1.748 -8.466 2.363 20 H GLY 26 H GLY 26 -0.299 -4.989 1.163 21 1HA GLY 26 1HA GLY 26 1.188 -3.195 2.653 22 2HA GLY 26 2HA GLY 26 2.257 -3.811 1.400 23 H VAL 27 H VAL 27 0.884 -1.131 1.907 24 HA VAL 27 HA VAL 27 -0.288 -0.886 -0.786 25 HB VAL 27 HB VAL 27 -1.621 1.028 0.047 26 1HG1 VAL 27 1HG1 VAL 27 -2.638 -1.183 -0.101 27 2HG1 VAL 27 2HG1 VAL 27 -3.297 -0.274 1.258 28 3HG1 VAL 27 3HG1 VAL 27 -2.108 -1.544 1.542 29 1HG2 VAL 27 1HG2 VAL 27 -0.607 0.171 2.756 30 2HG2 VAL 27 2HG2 VAL 27 -1.900 1.337 2.476 31 3HG2 VAL 27 3HG2 VAL 27 -0.259 1.696 1.936 32 H GLN 28 H GLN 28 0.293 0.946 -2.013 33 HA GLN 28 HA GLN 28 2.539 2.458 -0.858 34 1HB GLN 28 1HB GLN 28 3.641 2.418 -3.019 35 2HB GLN 28 2HB GLN 28 3.327 0.788 -2.471 36 1HG GLN 28 1HG GLN 28 2.748 0.622 -4.671 37 2HG GLN 28 2HG GLN 28 1.188 0.994 -3.943 38 1HE2 GLN 28 1HE2 GLN 28 3.785 3.299 -4.452 39 2HE2 GLN 28 2HE2 GLN 28 2.944 4.263 -5.600 40 H ILE 29 H ILE 29 2.919 4.574 -1.833 41 HA ILE 29 HA ILE 29 0.426 6.007 -2.178 42 HB ILE 29 HB ILE 29 3.250 7.072 -2.286 43 1HG1 ILE 29 1HG1 ILE 29 1.337 6.982 0.056 44 2HG1 ILE 29 2HG1 ILE 29 2.754 5.954 -0.135 45 1HG2 ILE 29 1HG2 ILE 29 2.203 9.235 -1.778 46 2HG2 ILE 29 2HG2 ILE 29 0.616 8.473 -1.862 47 3HG2 ILE 29 3HG2 ILE 29 1.626 8.563 -3.303 48 1HD1 ILE 29 1HD1 ILE 29 4.190 7.924 -0.051 49 2HD1 ILE 29 2HD1 ILE 29 3.190 7.780 1.395 50 3HD1 ILE 29 3HD1 ILE 29 2.767 8.950 0.142 51 H ASP 30 H ASP 30 -0.475 5.901 -4.123 52 HA ASP 30 HA ASP 30 0.954 5.368 -6.519 53 1HB ASP 30 1HB ASP 30 -1.461 4.799 -6.112 54 2HB ASP 30 2HB ASP 30 -1.838 6.507 -6.259 55 H SER 31 H SER 31 -0.954 8.228 -5.573 56 HA SER 31 HA SER 31 1.071 9.982 -6.661 57 1HB SER 31 1HB SER 31 -0.823 11.050 -8.151 58 2HB SER 31 2HB SER 31 0.125 9.682 -8.741 59 HG SER 31 HG SER 31 -1.552 8.318 -8.351 60 H VAL 32 H VAL 32 0.975 12.026 -5.849 61 HA VAL 32 HA VAL 32 -0.952 12.527 -3.738 62 HB VAL 32 HB VAL 32 1.410 14.181 -4.659 63 1HG1 VAL 32 1HG1 VAL 32 -0.317 14.463 -2.201 64 2HG1 VAL 32 2HG1 VAL 32 -0.269 15.564 -3.578 65 3HG1 VAL 32 3HG1 VAL 32 1.147 15.388 -2.541 66 1HG2 VAL 32 1HG2 VAL 32 2.527 13.338 -2.656 67 2HG2 VAL 32 2HG2 VAL 32 2.071 12.020 -3.735 68 3HG2 VAL 32 3HG2 VAL 32 1.120 12.343 -2.284 69 H VAL 33 H VAL 33 -2.705 13.818 -3.958 70 HA VAL 33 HA VAL 33 -3.038 15.132 -6.554 71 HB VAL 33 HB VAL 33 -5.492 15.110 -5.910 72 1HG1 VAL 33 1HG1 VAL 33 -4.587 13.600 -7.575 73 2HG1 VAL 33 2HG1 VAL 33 -5.774 12.753 -6.583 74 3HG1 VAL 33 3HG1 VAL 33 -4.050 12.493 -6.312 75 1HG2 VAL 33 1HG2 VAL 33 -6.186 13.417 -4.275 76 2HG2 VAL 33 2HG2 VAL 33 -5.252 14.714 -3.527 77 3HG2 VAL 33 3HG2 VAL 33 -4.493 13.156 -3.848 78 HA PRO 34 HA PRO 34 -2.868 19.071 -4.482 79 1HB PRO 34 1HB PRO 34 -3.670 20.562 -6.610 80 2HB PRO 34 2HB PRO 34 -2.029 19.922 -6.444 81 1HG PRO 34 1HG PRO 34 -4.329 18.857 -8.038 82 2HG PRO 34 2HG PRO 34 -2.620 19.002 -8.494 83 1HD PRO 34 1HD PRO 34 -3.706 16.662 -7.683 84 2HD PRO 34 2HD PRO 34 -2.021 17.097 -7.336 85 H GLY 35 H GLY 35 -4.354 20.875 -4.056 86 1HA GLY 35 1HA GLY 35 -6.566 21.730 -3.805 87 2HA GLY 35 2HA GLY 35 -7.199 20.160 -4.297 88 H SER 36 H SER 36 -5.502 18.628 -2.663 89 HA SER 36 HA SER 36 -6.599 19.167 0.003 90 1HB SER 36 1HB SER 36 -5.666 16.653 0.189 91 2HB SER 36 2HB SER 36 -7.261 17.011 -0.478 92 HG SER 36 HG SER 36 -4.846 16.592 -1.933 93 HA PRO 37 HA PRO 37 -2.535 19.855 1.705 94 1HB PRO 37 1HB PRO 37 -2.397 18.227 3.884 95 2HB PRO 37 2HB PRO 37 -3.358 19.709 3.842 96 1HG PRO 37 1HG PRO 37 -4.232 16.872 3.447 97 2HG PRO 37 2HG PRO 37 -5.010 18.160 4.386 98 1HD PRO 37 1HD PRO 37 -5.859 17.462 1.922 99 2HD PRO 37 2HD PRO 37 -5.932 19.139 2.503 100 H ALA 38 H ALA 38 -0.642 18.434 2.860 101 HA ALA 38 HA ALA 38 1.014 16.900 2.686 102 1HB ALA 38 1HB ALA 38 -0.722 15.172 2.699 103 2HB ALA 38 2HB ALA 38 0.647 14.732 1.680 104 3HB ALA 38 3HB ALA 38 -0.852 15.300 0.945 105 H SER 39 H SER 39 0.054 18.893 0.382 106 HA SER 39 HA SER 39 1.131 18.113 -2.034 107 1HB SER 39 1HB SER 39 -0.181 20.201 -1.620 108 2HB SER 39 2HB SER 39 1.245 20.909 -0.864 109 HG SER 39 HG SER 39 2.044 21.301 -2.769 110 H LYS 40 H LYS 40 2.854 20.226 0.301 111 HA LYS 40 HA LYS 40 5.323 18.850 -0.519 112 1HB LYS 40 1HB LYS 40 4.978 21.492 -0.676 113 2HB LYS 40 2HB LYS 40 5.443 21.408 1.017 114 1HG LYS 40 1HG LYS 40 7.073 20.315 -1.273 115 2HG LYS 40 2HG LYS 40 7.337 21.874 -0.494 116 1HD LYS 40 1HD LYS 40 7.882 20.807 1.587 117 2HD LYS 40 2HD LYS 40 7.426 19.227 0.948 118 1HE LYS 40 1HE LYS 40 9.813 19.372 0.933 119 2HE LYS 40 2HE LYS 40 9.250 19.458 -0.735 120 1HZ LYS 40 1HZ LYS 40 10.915 21.089 -0.469 121 2HZ LYS 40 2HZ LYS 40 10.233 21.683 0.965 122 3HZ LYS 40 3HZ LYS 40 9.444 21.935 -0.518 123 H VAL 41 H VAL 41 4.213 17.232 0.965 124 HA VAL 41 HA VAL 41 5.521 17.506 3.575 125 HB VAL 41 HB VAL 41 2.765 16.293 3.270 126 1HG1 VAL 41 1HG1 VAL 41 4.429 16.882 5.713 127 2HG1 VAL 41 2HG1 VAL 41 4.100 15.288 5.034 128 3HG1 VAL 41 3HG1 VAL 41 2.785 16.244 5.721 129 1HG2 VAL 41 1HG2 VAL 41 1.927 18.209 4.546 130 2HG2 VAL 41 2HG2 VAL 41 2.614 18.710 3.001 131 3HG2 VAL 41 3HG2 VAL 41 3.529 18.944 4.492 132 H LEU 42 H LEU 42 3.789 15.312 1.378 133 HA LEU 42 HA LEU 42 5.871 13.288 1.875 134 1HB LEU 42 1HB LEU 42 2.954 12.877 1.194 135 2HB LEU 42 2HB LEU 42 4.152 11.604 1.133 136 HG LEU 42 HG LEU 42 4.552 12.187 3.634 137 1HD1 LEU 42 1HD1 LEU 42 1.773 13.288 3.250 138 2HD1 LEU 42 2HD1 LEU 42 3.208 14.229 3.664 139 3HD1 LEU 42 3HD1 LEU 42 2.586 13.023 4.792 140 1HD2 LEU 42 1HD2 LEU 42 2.044 10.806 2.694 141 2HD2 LEU 42 2HD2 LEU 42 2.768 10.636 4.293 142 3HD2 LEU 42 3HD2 LEU 42 3.641 10.078 2.865 143 H THR 43 H THR 43 6.018 11.740 -0.048 144 HA THR 43 HA THR 43 5.663 13.187 -2.579 145 HB THR 43 HB THR 43 7.763 11.878 -3.303 146 HG1 THR 43 HG1 THR 43 8.044 10.546 -1.528 147 1HG2 THR 43 1HG2 THR 43 9.252 13.640 -2.480 148 2HG2 THR 43 2HG2 THR 43 8.024 14.131 -1.312 149 3HG2 THR 43 3HG2 THR 43 7.718 14.307 -3.040 150 HA PRO 44 HA PRO 44 3.667 9.424 -3.869 151 1HB PRO 44 1HB PRO 44 3.681 9.772 -6.533 152 2HB PRO 44 2HB PRO 44 2.685 10.774 -5.471 153 1HG PRO 44 1HG PRO 44 5.333 11.398 -6.724 154 2HG PRO 44 2HG PRO 44 3.895 12.426 -6.576 155 1HD PRO 44 1HD PRO 44 6.054 12.591 -4.905 156 2HD PRO 44 2HD PRO 44 4.403 13.033 -4.425 157 H GLY 45 H GLY 45 4.086 7.409 -4.909 158 1HA GLY 45 1HA GLY 45 5.405 5.851 -6.067 159 2HA GLY 45 2HA GLY 45 6.709 7.027 -6.125 160 H LEU 46 H LEU 46 5.393 6.777 -3.026 161 HA LEU 46 HA LEU 46 7.645 5.087 -2.186 162 1HB LEU 46 1HB LEU 46 5.882 6.861 -0.496 163 2HB LEU 46 2HB LEU 46 7.329 6.027 0.033 164 HG LEU 46 HG LEU 46 7.196 8.311 -1.931 165 1HD1 LEU 46 1HD1 LEU 46 8.408 9.532 -0.202 166 2HD1 LEU 46 2HD1 LEU 46 8.327 8.123 0.856 167 3HD1 LEU 46 3HD1 LEU 46 6.847 8.964 0.393 168 1HD2 LEU 46 1HD2 LEU 46 9.574 6.768 -0.906 169 2HD2 LEU 46 2HD2 LEU 46 9.649 8.238 -1.879 170 3HD2 LEU 46 3HD2 LEU 46 8.961 6.763 -2.558 171 H VAL 47 H VAL 47 7.213 3.579 -0.359 172 HA VAL 47 HA VAL 47 4.526 2.408 -0.599 173 HB VAL 47 HB VAL 47 7.044 1.129 0.500 174 1HG1 VAL 47 1HG1 VAL 47 5.043 0.171 1.466 175 2HG1 VAL 47 2HG1 VAL 47 5.772 -0.968 0.334 176 3HG1 VAL 47 3HG1 VAL 47 4.345 -0.046 -0.139 177 1HG2 VAL 47 1HG2 VAL 47 5.704 0.767 -2.180 178 2HG2 VAL 47 2HG2 VAL 47 7.071 -0.172 -1.578 179 3HG2 VAL 47 3HG2 VAL 47 7.257 1.553 -1.888 180 H ILE 48 H ILE 48 3.240 2.126 1.189 181 HA ILE 48 HA ILE 48 4.053 3.584 3.604 182 HB ILE 48 HB ILE 48 1.324 2.605 2.739 183 1HG1 ILE 48 1HG1 ILE 48 2.514 5.386 2.818 184 2HG1 ILE 48 2HG1 ILE 48 2.146 4.456 1.368 185 1HG2 ILE 48 1HG2 ILE 48 2.120 4.283 5.114 186 2HG2 ILE 48 2HG2 ILE 48 1.494 2.634 5.157 187 3HG2 ILE 48 3HG2 ILE 48 0.465 3.954 4.602 188 1HD1 ILE 48 1HD1 ILE 48 0.454 6.138 1.770 189 2HD1 ILE 48 2HD1 ILE 48 0.150 5.477 3.377 190 3HD1 ILE 48 3HD1 ILE 48 -0.233 4.523 1.945 191 H GLU 49 H GLU 49 4.520 2.603 5.421 192 HA GLU 49 HA GLU 49 4.231 -0.273 5.663 193 1HB GLU 49 1HB GLU 49 6.283 0.851 6.456 194 2HB GLU 49 2HB GLU 49 5.327 1.765 7.607 195 1HG GLU 49 1HG GLU 49 4.580 -0.530 8.490 196 2HG GLU 49 2HG GLU 49 5.966 -1.157 7.601 197 H SER 50 H SER 50 3.234 2.625 7.450 198 HA SER 50 HA SER 50 0.926 1.192 8.487 199 1HB SER 50 1HB SER 50 1.617 1.820 10.863 200 2HB SER 50 2HB SER 50 2.509 0.499 10.108 201 HG SER 50 HG SER 50 4.273 1.654 10.177 202 H ILE 51 H ILE 51 -0.624 2.469 9.459 203 HA ILE 51 HA ILE 51 -0.294 5.368 9.018 204 HB ILE 51 HB ILE 51 -2.866 3.773 9.076 205 1HG1 ILE 51 1HG1 ILE 51 -1.552 3.412 7.024 206 2HG1 ILE 51 2HG1 ILE 51 -3.026 4.311 6.693 207 1HG2 ILE 51 1HG2 ILE 51 -2.428 6.709 8.536 208 2HG2 ILE 51 2HG2 ILE 51 -3.154 6.020 9.989 209 3HG2 ILE 51 3HG2 ILE 51 -3.969 5.854 8.433 210 1HD1 ILE 51 1HD1 ILE 51 -1.146 5.202 5.446 211 2HD1 ILE 51 2HD1 ILE 51 -0.272 5.487 6.952 212 3HD1 ILE 51 3HD1 ILE 51 -1.753 6.383 6.608 213 H ASN 52 H ASN 52 0.695 5.621 11.003 214 HA ASN 52 HA ASN 52 0.843 6.162 13.185 215 1HB ASN 52 1HB ASN 52 -0.973 7.692 12.379 216 2HB ASN 52 2HB ASN 52 -2.132 6.569 13.068 217 1HD2 ASN 52 1HD2 ASN 52 -2.826 8.278 14.381 218 2HD2 ASN 52 2HD2 ASN 52 -1.972 8.733 15.805 219 H GLY 53 H GLY 53 1.400 3.975 13.677 220 1HA GLY 53 1HA GLY 53 1.298 2.378 15.374 221 2HA GLY 53 2HA GLY 53 -0.317 2.945 15.772 222 H MET 54 H MET 54 -1.679 2.629 13.449 223 HA MET 54 HA MET 54 -1.923 -0.261 13.325 224 1HB MET 54 1HB MET 54 -3.536 1.951 12.040 225 2HB MET 54 2HB MET 54 -3.943 0.242 11.964 226 1HG MET 54 1HG MET 54 -4.338 0.166 14.328 227 2HG MET 54 2HG MET 54 -3.721 1.809 14.523 228 1HE MET 54 1HE MET 54 -4.977 3.363 12.087 229 2HE MET 54 2HE MET 54 -4.961 3.972 13.739 230 3HE MET 54 3HE MET 54 -6.464 3.975 12.812 231 HA PRO 55 HA PRO 55 0.561 -0.137 9.564 232 1HB PRO 55 1HB PRO 55 0.975 -2.781 9.370 233 2HB PRO 55 2HB PRO 55 1.861 -1.775 10.519 234 1HG PRO 55 1HG PRO 55 -0.479 -3.575 10.991 235 2HG PRO 55 2HG PRO 55 0.961 -3.324 11.993 236 1HD PRO 55 1HD PRO 55 -1.469 -2.151 12.481 237 2HD PRO 55 2HD PRO 55 0.086 -1.466 12.997 238 H THR 56 H THR 56 -0.120 -0.207 7.484 239 HA THR 56 HA THR 56 -2.708 -1.517 7.015 240 HB THR 56 HB THR 56 -2.927 0.138 5.120 241 HG1 THR 56 HG1 THR 56 -0.667 0.721 5.078 242 1HG2 THR 56 1HG2 THR 56 -2.707 1.245 7.923 243 2HG2 THR 56 2HG2 THR 56 -4.102 0.398 7.257 244 3HG2 THR 56 3HG2 THR 56 -3.626 1.962 6.599 245 H SER 57 H SER 57 -1.990 -3.483 6.366 246 HA SER 57 HA SER 57 -0.271 -3.647 3.999 247 1HB SER 57 1HB SER 57 -1.347 -5.842 5.788 248 2HB SER 57 2HB SER 57 -0.098 -6.009 4.554 249 HG SER 57 HG SER 57 1.296 -4.859 5.785 250 H ASN 58 H ASN 58 -3.545 -3.620 4.887 251 HA ASN 58 HA ASN 58 -4.233 -4.832 2.296 252 1HB ASN 58 1HB ASN 58 -5.712 -5.157 4.910 253 2HB ASN 58 2HB ASN 58 -6.387 -5.598 3.344 254 1HD2 ASN 58 1HD2 ASN 58 -4.146 -6.425 5.830 255 2HD2 ASN 58 2HD2 ASN 58 -3.699 -7.977 5.202 256 H LEU 59 H LEU 59 -6.219 -4.039 1.376 257 HA LEU 59 HA LEU 59 -6.491 -1.230 1.617 258 1HB LEU 59 1HB LEU 59 -8.173 -3.303 0.209 259 2HB LEU 59 2HB LEU 59 -8.343 -1.580 0.012 260 HG LEU 59 HG LEU 59 -5.907 -3.181 -0.742 261 1HD1 LEU 59 1HD1 LEU 59 -6.549 -2.681 -3.040 262 2HD1 LEU 59 2HD1 LEU 59 -8.008 -1.875 -2.464 263 3HD1 LEU 59 3HD1 LEU 59 -7.802 -3.608 -2.216 264 1HD2 LEU 59 1HD2 LEU 59 -5.138 -1.103 -1.797 265 2HD2 LEU 59 2HD2 LEU 59 -5.311 -0.926 -0.050 266 3HD2 LEU 59 3HD2 LEU 59 -6.533 -0.254 -1.130 267 H THR 60 H THR 60 -8.057 -4.007 2.946 268 HA THR 60 HA THR 60 -10.411 -2.762 3.903 269 HB THR 60 HB THR 60 -9.074 -5.175 5.128 270 HG1 THR 60 HG1 THR 60 -10.316 -4.852 2.617 271 1HG2 THR 60 1HG2 THR 60 -11.977 -4.427 4.743 272 2HG2 THR 60 2HG2 THR 60 -11.080 -4.320 6.257 273 3HG2 THR 60 3HG2 THR 60 -11.383 -5.893 5.520 274 H THR 61 H THR 61 -7.313 -3.609 5.490 275 HA THR 61 HA THR 61 -7.981 -2.409 7.960 276 HB THR 61 HB THR 61 -5.370 -2.369 8.193 277 HG1 THR 61 HG1 THR 61 -4.402 -3.919 6.796 278 1HG2 THR 61 1HG2 THR 61 -6.974 -4.914 7.955 279 2HG2 THR 61 2HG2 THR 61 -6.789 -3.914 9.399 280 3HG2 THR 61 3HG2 THR 61 -5.401 -4.784 8.741 281 H TYR 62 H TYR 62 -6.415 -1.216 5.047 282 HA TYR 62 HA TYR 62 -5.625 1.308 6.009 283 1HB TYR 62 1HB TYR 62 -5.081 0.186 3.754 284 2HB TYR 62 2HB TYR 62 -6.634 0.809 3.209 285 HD1 TYR 62 HD1 TYR 62 -3.221 1.679 4.201 286 HD2 TYR 62 HD2 TYR 62 -6.957 3.204 2.847 287 HE1 TYR 62 HE1 TYR 62 -2.141 3.809 3.645 288 HE2 TYR 62 HE2 TYR 62 -5.880 5.345 2.287 289 HH TYR 62 HH TYR 62 -3.847 6.627 2.968 290 H SER 63 H SER 63 -8.649 0.109 4.662 291 HA SER 63 HA SER 63 -10.036 2.567 4.651 292 1HB SER 63 1HB SER 63 -10.647 0.393 3.434 293 2HB SER 63 2HB SER 63 -11.286 -0.160 4.977 294 HG SER 63 HG SER 63 -12.185 1.943 3.328 295 H ALA 64 H ALA 64 -9.836 -0.075 6.987 296 HA ALA 64 HA ALA 64 -11.698 0.883 8.842 297 1HB ALA 64 1HB ALA 64 -10.630 -0.620 10.431 298 2HB ALA 64 2HB ALA 64 -9.234 -0.775 9.365 299 3HB ALA 64 3HB ALA 64 -10.803 -1.402 8.859 300 H ALA 65 H ALA 65 -8.281 1.527 8.418 301 HA ALA 65 HA ALA 65 -7.869 2.937 10.836 302 1HB ALA 65 1HB ALA 65 -6.018 2.040 9.512 303 2HB ALA 65 2HB ALA 65 -5.825 3.772 9.782 304 3HB ALA 65 3HB ALA 65 -6.385 3.182 8.219 305 H LEU 66 H LEU 66 -8.657 3.987 7.555 306 HA LEU 66 HA LEU 66 -8.611 6.748 7.959 307 1HB LEU 66 1HB LEU 66 -8.943 5.191 5.836 308 2HB LEU 66 2HB LEU 66 -10.631 5.523 6.146 309 HG LEU 66 HG LEU 66 -8.603 7.722 5.795 310 1HD1 LEU 66 1HD1 LEU 66 -8.602 6.326 3.787 311 2HD1 LEU 66 2HD1 LEU 66 -9.342 7.895 3.478 312 3HD1 LEU 66 3HD1 LEU 66 -10.356 6.467 3.685 313 1HD2 LEU 66 1HD2 LEU 66 -10.594 9.054 5.251 314 2HD2 LEU 66 2HD2 LEU 66 -10.690 8.373 6.875 315 3HD2 LEU 66 3HD2 LEU 66 -11.613 7.649 5.558 316 H LYS 67 H LYS 67 -11.185 4.395 8.383 317 HA LYS 67 HA LYS 67 -13.284 6.198 8.847 318 1HB LYS 67 1HB LYS 67 -12.980 3.355 9.807 319 2HB LYS 67 2HB LYS 67 -14.482 4.271 9.806 320 1HG LYS 67 1HG LYS 67 -14.330 4.470 7.360 321 2HG LYS 67 2HG LYS 67 -12.870 3.482 7.391 322 1HD LYS 67 1HD LYS 67 -14.140 1.632 8.353 323 2HD LYS 67 2HD LYS 67 -15.601 2.623 8.336 324 1HE LYS 67 1HE LYS 67 -15.363 2.832 5.879 325 2HE LYS 67 2HE LYS 67 -13.997 1.721 5.951 326 1HZ LYS 67 1HZ LYS 67 -16.794 1.112 6.743 327 2HZ LYS 67 2HZ LYS 67 -15.487 0.040 6.883 328 3HZ LYS 67 3HZ LYS 67 -16.000 0.557 5.354 329 H THR 68 H THR 68 -10.756 5.133 10.950 330 HA THR 68 HA THR 68 -12.193 6.015 13.320 331 HB THR 68 HB THR 68 -10.187 5.314 14.582 332 HG1 THR 68 HG1 THR 68 -9.118 5.149 12.029 333 1HG2 THR 68 1HG2 THR 68 -11.963 3.707 14.224 334 2HG2 THR 68 2HG2 THR 68 -10.402 2.893 14.140 335 3HG2 THR 68 3HG2 THR 68 -11.283 3.261 12.659 336 H ILE 69 H ILE 69 -10.238 7.394 10.961 337 HA ILE 69 HA ILE 69 -8.713 9.173 12.597 338 HB ILE 69 HB ILE 69 -9.367 9.415 9.657 339 1HG1 ILE 69 1HG1 ILE 69 -8.251 7.312 10.084 340 2HG1 ILE 69 2HG1 ILE 69 -7.122 8.422 9.318 341 1HG2 ILE 69 1HG2 ILE 69 -7.331 10.801 9.568 342 2HG2 ILE 69 2HG2 ILE 69 -7.209 10.704 11.324 343 3HG2 ILE 69 3HG2 ILE 69 -8.589 11.513 10.579 344 1HD1 ILE 69 1HD1 ILE 69 -6.050 7.172 11.094 345 2HD1 ILE 69 2HD1 ILE 69 -7.238 7.772 12.252 346 3HD1 ILE 69 3HD1 ILE 69 -6.110 8.890 11.486 347 H SER 70 H SER 70 -9.176 11.168 13.307 348 HA SER 70 HA SER 70 -11.840 12.222 12.958 349 1HB SER 70 1HB SER 70 -9.531 13.609 14.315 350 2HB SER 70 2HB SER 70 -11.253 13.830 14.606 351 HG SER 70 HG SER 70 -9.521 11.909 15.590 352 H VAL 71 H VAL 71 -12.364 14.132 11.905 353 HA VAL 71 HA VAL 71 -10.829 14.650 9.554 354 HB VAL 71 HB VAL 71 -13.138 16.307 10.568 355 1HG1 VAL 71 1HG1 VAL 71 -13.513 16.739 8.178 356 2HG1 VAL 71 2HG1 VAL 71 -12.069 15.801 7.797 357 3HG1 VAL 71 3HG1 VAL 71 -11.928 17.297 8.721 358 1HG2 VAL 71 1HG2 VAL 71 -13.231 13.766 8.949 359 2HG2 VAL 71 2HG2 VAL 71 -14.602 14.838 9.240 360 3HG2 VAL 71 3HG2 VAL 71 -13.840 13.992 10.588 361 H GLY 72 H GLY 72 -9.083 15.876 9.506 362 1HA GLY 72 1HA GLY 72 -8.058 18.019 9.612 363 2HA GLY 72 2HA GLY 72 -9.108 18.421 10.963 364 H GLU 73 H GLU 73 -7.956 15.329 11.362 365 HA GLU 73 HA GLU 73 -6.136 16.253 13.440 366 1HB GLU 73 1HB GLU 73 -7.887 14.564 13.943 367 2HB GLU 73 2HB GLU 73 -7.091 13.465 12.832 368 1HG GLU 73 1HG GLU 73 -6.530 12.954 15.137 369 2HG GLU 73 2HG GLU 73 -5.107 13.446 14.222 370 H VAL 74 H VAL 74 -4.033 15.313 13.702 371 HA VAL 74 HA VAL 74 -2.725 14.943 11.111 372 HB VAL 74 HB VAL 74 -1.486 15.409 13.833 373 1HG1 VAL 74 1HG1 VAL 74 0.039 14.300 12.313 374 2HG1 VAL 74 2HG1 VAL 74 0.536 15.971 12.569 375 3HG1 VAL 74 3HG1 VAL 74 -0.279 15.512 11.073 376 1HG2 VAL 74 1HG2 VAL 74 -2.039 17.343 11.586 377 2HG2 VAL 74 2HG2 VAL 74 -1.105 17.704 13.038 378 3HG2 VAL 74 3HG2 VAL 74 -2.820 17.315 13.167 379 H ILE 75 H ILE 75 -2.283 12.972 10.435 380 HA ILE 75 HA ILE 75 -2.036 10.809 12.401 381 HB ILE 75 HB ILE 75 -2.340 9.274 10.476 382 1HG1 ILE 75 1HG1 ILE 75 -2.990 11.803 8.952 383 2HG1 ILE 75 2HG1 ILE 75 -1.543 10.829 8.717 384 1HG2 ILE 75 1HG2 ILE 75 -4.195 9.853 11.895 385 2HG2 ILE 75 2HG2 ILE 75 -4.748 9.725 10.223 386 3HG2 ILE 75 3HG2 ILE 75 -4.503 11.312 10.950 387 1HD1 ILE 75 1HD1 ILE 75 -2.902 8.967 7.967 388 2HD1 ILE 75 2HD1 ILE 75 -3.236 10.408 7.008 389 3HD1 ILE 75 3HD1 ILE 75 -4.372 9.899 8.260 390 H ASN 76 H ASN 76 -0.500 9.025 11.633 391 HA ASN 76 HA ASN 76 2.053 10.333 10.957 392 1HB ASN 76 1HB ASN 76 1.849 9.851 13.344 393 2HB ASN 76 2HB ASN 76 1.482 8.169 12.990 394 1HD2 ASN 76 1HD2 ASN 76 3.139 7.286 14.036 395 2HD2 ASN 76 2HD2 ASN 76 4.808 7.490 13.572 396 H ILE 77 H ILE 77 2.643 9.611 9.005 397 HA ILE 77 HA ILE 77 1.962 6.835 8.257 398 HB ILE 77 HB ILE 77 2.655 9.157 6.439 399 1HG1 ILE 77 1HG1 ILE 77 -0.041 7.917 7.049 400 2HG1 ILE 77 2HG1 ILE 77 0.508 9.482 7.644 401 1HG2 ILE 77 1HG2 ILE 77 1.780 7.678 4.668 402 2HG2 ILE 77 2HG2 ILE 77 1.595 6.388 5.857 403 3HG2 ILE 77 3HG2 ILE 77 3.202 7.002 5.461 404 1HD1 ILE 77 1HD1 ILE 77 -1.001 9.721 5.753 405 2HD1 ILE 77 2HD1 ILE 77 0.075 8.739 4.758 406 3HD1 ILE 77 3HD1 ILE 77 0.612 10.312 5.352 407 H THR 78 H THR 78 3.592 5.540 8.645 408 HA THR 78 HA THR 78 6.342 6.402 8.239 409 HB THR 78 HB THR 78 5.296 3.696 9.111 410 HG1 THR 78 HG1 THR 78 5.698 6.094 10.475 411 1HG2 THR 78 1HG2 THR 78 7.574 3.391 9.997 412 2HG2 THR 78 2HG2 THR 78 8.037 4.953 9.320 413 3HG2 THR 78 3HG2 THR 78 7.581 3.628 8.248 414 H THR 79 H THR 79 7.154 6.293 6.234 415 HA THR 79 HA THR 79 6.207 4.130 4.474 416 HB THR 79 HB THR 79 6.834 5.504 2.561 417 HG1 THR 79 HG1 THR 79 7.877 7.183 4.575 418 1HG2 THR 79 1HG2 THR 79 5.174 7.314 2.796 419 2HG2 THR 79 2HG2 THR 79 5.114 7.017 4.533 420 3HG2 THR 79 3HG2 THR 79 4.570 5.774 3.409 421 H ASP 80 H ASP 80 7.937 3.625 2.748 422 HA ASP 80 HA ASP 80 10.195 2.535 4.014 423 1HB ASP 80 1HB ASP 80 9.408 1.490 2.038 424 2HB ASP 80 2HB ASP 80 9.491 2.990 1.120 425 H GLN 81 H GLN 81 9.662 5.616 2.482 426 HA GLN 81 HA GLN 81 12.526 6.186 2.425 427 1HB GLN 81 1HB GLN 81 10.998 6.681 0.465 428 2HB GLN 81 2HB GLN 81 10.296 7.955 1.446 429 1HG GLN 81 1HG GLN 81 11.941 8.853 -0.086 430 2HG GLN 81 2HG GLN 81 12.462 9.061 1.583 431 1HE2 GLN 81 1HE2 GLN 81 12.630 5.990 -0.087 432 2HE2 GLN 81 2HE2 GLN 81 14.353 5.929 -0.194 433 H GLY 82 H GLY 82 10.523 6.142 4.804 434 1HA GLY 82 1HA GLY 82 11.560 7.278 6.803 435 2HA GLY 82 2HA GLY 82 11.343 8.765 5.893 436 H THR 83 H THR 83 10.257 9.003 8.170 437 HA THR 83 HA THR 83 7.452 8.154 7.969 438 HB THR 83 HB THR 83 8.983 9.000 10.439 439 HG1 THR 83 HG1 THR 83 9.708 6.981 9.906 440 1HG2 THR 83 1HG2 THR 83 6.221 7.817 10.122 441 2HG2 THR 83 2HG2 THR 83 6.589 9.477 10.588 442 3HG2 THR 83 3HG2 THR 83 7.031 8.144 11.656 443 H PHE 84 H PHE 84 5.928 9.663 7.721 444 HA PHE 84 HA PHE 84 6.622 12.483 8.239 445 1HB PHE 84 1HB PHE 84 4.853 11.581 5.962 446 2HB PHE 84 2HB PHE 84 5.513 13.185 6.242 447 HD1 PHE 84 HD1 PHE 84 7.891 13.643 5.781 448 HD2 PHE 84 HD2 PHE 84 6.109 9.889 4.851 449 HE1 PHE 84 HE1 PHE 84 9.780 13.118 4.295 450 HE2 PHE 84 HE2 PHE 84 7.997 9.359 3.367 451 HZ PHE 84 HZ PHE 84 9.835 10.974 3.085 452 H HIS 85 H HIS 85 4.835 13.790 8.915 453 HA HIS 85 HA HIS 85 2.466 12.231 9.656 454 1HB HIS 85 1HB HIS 85 1.991 13.983 11.342 455 2HB HIS 85 2HB HIS 85 3.493 13.129 11.635 456 HD1 HIS 85 HD1 HIS 85 5.474 14.543 12.075 457 HD2 HIS 85 HD2 HIS 85 2.429 16.664 10.199 458 HE1 HIS 85 HE1 HIS 85 6.231 16.942 12.050 459 HE2 HIS 85 HE2 HIS 85 4.243 18.227 11.172 460 H LEU 86 H LEU 86 0.511 12.801 8.951 461 HA LEU 86 HA LEU 86 0.422 15.061 7.058 462 1HB LEU 86 1HB LEU 86 0.395 12.633 6.173 463 2HB LEU 86 2HB LEU 86 -1.227 12.570 6.817 464 HG LEU 86 HG LEU 86 -0.432 14.668 4.818 465 1HD1 LEU 86 1HD1 LEU 86 -1.507 11.916 4.223 466 2HD1 LEU 86 2HD1 LEU 86 0.120 12.492 3.853 467 3HD1 LEU 86 3HD1 LEU 86 -1.275 13.220 3.057 468 1HD2 LEU 86 1HD2 LEU 86 -2.820 14.645 4.298 469 2HD2 LEU 86 2HD2 LEU 86 -2.540 15.007 6.002 470 3HD2 LEU 86 3HD2 LEU 86 -3.076 13.397 5.518 471 H LYS 87 H LYS 87 -1.290 16.383 7.190 472 HA LYS 87 HA LYS 87 -3.125 15.961 9.433 473 1HB LYS 87 1HB LYS 87 -1.863 18.090 9.387 474 2HB LYS 87 2HB LYS 87 -2.587 18.472 7.831 475 1HG LYS 87 1HG LYS 87 -4.811 18.466 8.894 476 2HG LYS 87 2HG LYS 87 -4.039 18.162 10.452 477 1HD LYS 87 1HD LYS 87 -2.782 20.262 10.219 478 2HD LYS 87 2HD LYS 87 -3.595 20.567 8.684 479 1HE LYS 87 1HE LYS 87 -4.666 21.834 10.431 480 2HE LYS 87 2HE LYS 87 -5.760 20.574 9.860 481 1HZ LYS 87 1HZ LYS 87 -5.665 20.842 12.318 482 2HZ LYS 87 2HZ LYS 87 -4.057 20.304 12.279 483 3HZ LYS 87 3HZ LYS 87 -5.311 19.271 11.784 484 H THR 88 H THR 88 -5.084 15.186 8.978 485 HA THR 88 HA THR 88 -5.893 14.773 6.290 486 HB THR 88 HB THR 88 -8.100 14.087 7.363 487 HG1 THR 88 HG1 THR 88 -6.585 14.282 9.770 488 1HG2 THR 88 1HG2 THR 88 -5.573 12.738 8.322 489 2HG2 THR 88 2HG2 THR 88 -6.327 12.503 6.747 490 3HG2 THR 88 3HG2 THR 88 -7.173 12.000 8.208 491 H GLY 89 H GLY 89 -7.212 15.873 4.997 492 1HA GLY 89 1HA GLY 89 -8.242 18.435 5.995 493 2HA GLY 89 2HA GLY 89 -8.008 18.009 4.305 494 H ARG 90 H ARG 90 -10.184 18.732 3.957 495 HA ARG 90 HA ARG 90 -12.174 16.726 4.789 496 1HB ARG 90 1HB ARG 90 -12.570 19.644 4.096 497 2HB ARG 90 2HB ARG 90 -13.886 18.500 4.297 498 1HG ARG 90 1HG ARG 90 -13.816 19.603 6.319 499 2HG ARG 90 2HG ARG 90 -12.921 18.119 6.643 500 1HD ARG 90 1HD ARG 90 -10.846 19.233 6.569 501 2HD ARG 90 2HD ARG 90 -11.558 20.672 5.834 502 HE ARG 90 HE ARG 90 -12.582 19.978 8.460 503 1HH1 ARG 90 1HH1 ARG 90 -10.237 21.852 6.652 504 2HH1 ARG 90 2HH1 ARG 90 -10.035 23.046 7.896 505 1HH2 ARG 90 1HH2 ARG 90 -12.316 21.543 10.109 506 2HH2 ARG 90 2HH2 ARG 90 -11.224 22.877 9.858 507 H ASN 91 H ASN 91 -14.052 16.729 3.119 508 HA ASN 91 HA ASN 91 -13.038 16.312 0.466 509 1HB ASN 91 1HB ASN 91 -14.972 15.039 1.443 510 2HB ASN 91 2HB ASN 91 -15.912 16.524 1.420 511 1HD2 ASN 91 1HD2 ASN 91 -16.368 13.956 0.116 512 2HD2 ASN 91 2HD2 ASN 91 -16.510 14.295 -1.574 513 HA PRO 92 HA PRO 92 -12.898 20.696 -0.205 514 1HB PRO 92 1HB PRO 92 -12.604 19.920 -3.048 515 2HB PRO 92 2HB PRO 92 -11.541 20.893 -2.028 516 1HG PRO 92 1HG PRO 92 -10.884 18.400 -2.719 517 2HG PRO 92 2HG PRO 92 -10.505 19.040 -1.109 518 1HD PRO 92 1HD PRO 92 -12.698 17.184 -1.948 519 2HD PRO 92 2HD PRO 92 -11.691 17.154 -0.484 520 H ASN 93 H ASN 93 -15.109 18.541 -1.732 521 HA ASN 93 HA ASN 93 -16.683 20.822 -2.714 522 1HB ASN 93 1HB ASN 93 -15.960 19.324 -4.497 523 2HB ASN 93 2HB ASN 93 -16.692 17.954 -3.667 524 1HD2 ASN 93 1HD2 ASN 93 -17.266 20.837 -5.507 525 2HD2 ASN 93 2HD2 ASN 93 -18.935 20.517 -5.863 526 H ASN 94 H ASN 94 -17.007 17.630 -1.143 527 HA ASN 94 HA ASN 94 -19.775 18.383 -0.473 528 1HB ASN 94 1HB ASN 94 -19.247 16.348 -2.005 529 2HB ASN 94 2HB ASN 94 -18.789 15.543 -0.508 530 1HD2 ASN 94 1HD2 ASN 94 -21.396 16.917 -2.346 531 2HD2 ASN 94 2HD2 ASN 94 -22.684 16.230 -1.418 532 H SER 95 H SER 95 -19.996 16.067 1.319 533 HA SER 95 HA SER 95 -19.748 17.359 3.736 534 1HB SER 95 1HB SER 95 -19.752 14.372 3.257 535 2HB SER 95 2HB SER 95 -20.200 15.187 4.756 536 HG SER 95 HG SER 95 -21.537 15.275 2.249 537 H SER 96 H SER 96 -18.309 17.442 5.362 538 HA SER 96 HA SER 96 -15.570 17.251 4.702 539 1HB SER 96 1HB SER 96 -16.630 17.520 7.489 540 2HB SER 96 2HB SER 96 -15.186 18.246 6.789 541 HG SER 96 HG SER 96 -16.385 19.910 6.372 542 H ARG 97 H ARG 97 -14.944 15.149 4.318 543 HA ARG 97 HA ARG 97 -15.049 13.288 6.571 544 1HB ARG 97 1HB ARG 97 -15.694 12.785 4.037 545 2HB ARG 97 2HB ARG 97 -13.956 12.554 3.892 546 1HG ARG 97 1HG ARG 97 -14.865 10.448 4.303 547 2HG ARG 97 2HG ARG 97 -14.136 10.952 5.828 548 1HD ARG 97 1HD ARG 97 -16.465 11.840 6.421 549 2HD ARG 97 2HD ARG 97 -17.042 10.868 5.070 550 HE ARG 97 HE ARG 97 -15.668 9.773 7.444 551 1HH1 ARG 97 1HH1 ARG 97 -17.961 9.478 4.819 552 2HH1 ARG 97 2HH1 ARG 97 -18.609 7.973 5.381 553 1HH2 ARG 97 1HH2 ARG 97 -16.538 7.824 8.219 554 2HH2 ARG 97 2HH2 ARG 97 -17.813 7.037 7.338 555 H ALA 98 H ALA 98 -13.067 12.328 7.302 556 HA ALA 98 HA ALA 98 -10.750 13.948 7.265 557 1HB ALA 98 1HB ALA 98 -11.218 12.402 9.091 558 2HB ALA 98 2HB ALA 98 -9.645 12.061 8.370 559 3HB ALA 98 3HB ALA 98 -11.028 11.032 7.997 560 H TYR 99 H TYR 99 -9.930 14.354 5.223 561 HA TYR 99 HA TYR 99 -9.494 12.004 3.503 562 1HB TYR 99 1HB TYR 99 -11.136 13.744 2.707 563 2HB TYR 99 2HB TYR 99 -9.786 14.865 2.588 564 HD1 TYR 99 HD1 TYR 99 -10.935 11.545 1.371 565 HD2 TYR 99 HD2 TYR 99 -8.542 14.976 0.607 566 HE1 TYR 99 HE1 TYR 99 -10.457 10.697 -0.883 567 HE2 TYR 99 HE2 TYR 99 -8.054 14.137 -1.657 568 HH TYR 99 HH TYR 99 -9.777 11.595 -3.088 569 H MET 100 H MET 100 -7.522 11.469 2.968 570 HA MET 100 HA MET 100 -5.304 13.300 3.506 571 1HB MET 100 1HB MET 100 -3.874 11.320 3.094 572 2HB MET 100 2HB MET 100 -5.052 11.035 4.365 573 1HG MET 100 1HG MET 100 -6.482 9.901 2.647 574 2HG MET 100 2HG MET 100 -5.117 10.019 1.538 575 1HE MET 100 1HE MET 100 -6.505 8.447 4.838 576 2HE MET 100 2HE MET 100 -5.104 9.338 5.431 577 3HE MET 100 3HE MET 100 -5.103 7.575 5.457 578 H GLY 101 H GLY 101 -3.869 13.969 1.879 579 1HA GLY 101 1HA GLY 101 -5.271 14.355 -0.623 580 2HA GLY 101 2HA GLY 101 -3.816 15.184 -0.101 581 H ILE 102 H ILE 102 -4.243 11.670 -0.314 582 HA ILE 102 HA ILE 102 -2.564 11.645 -2.719 583 HB ILE 102 HB ILE 102 -1.117 9.891 -1.903 584 1HG1 ILE 102 1HG1 ILE 102 -2.385 10.188 0.820 585 2HG1 ILE 102 2HG1 ILE 102 -2.860 8.933 -0.325 586 1HG2 ILE 102 1HG2 ILE 102 -0.398 12.190 -1.520 587 2HG2 ILE 102 2HG2 ILE 102 0.181 11.118 -0.243 588 3HG2 ILE 102 3HG2 ILE 102 -1.193 12.182 0.054 589 1HD1 ILE 102 1HD1 ILE 102 -0.130 9.324 0.877 590 2HD1 ILE 102 2HD1 ILE 102 -0.557 8.098 -0.318 591 3HD1 ILE 102 3HD1 ILE 102 -1.295 8.063 1.286 592 H ARG 103 H ARG 103 -2.771 9.797 -3.981 593 HA ARG 103 HA ARG 103 -5.120 8.135 -3.484 594 1HB ARG 103 1HB ARG 103 -3.250 8.339 -5.860 595 2HB ARG 103 2HB ARG 103 -4.646 7.275 -5.785 596 1HG ARG 103 1HG ARG 103 -6.143 9.134 -5.711 597 2HG ARG 103 2HG ARG 103 -4.802 10.267 -5.531 598 1HD ARG 103 1HD ARG 103 -5.545 10.344 -7.801 599 2HD ARG 103 2HD ARG 103 -3.977 9.545 -7.761 600 HE ARG 103 HE ARG 103 -6.479 7.988 -7.890 601 1HH1 ARG 103 1HH1 ARG 103 -3.305 8.797 -9.140 602 2HH1 ARG 103 2HH1 ARG 103 -3.350 7.594 -10.396 603 1HH2 ARG 103 1HH2 ARG 103 -6.551 6.423 -9.554 604 2HH2 ARG 103 2HH2 ARG 103 -5.198 6.242 -10.624 605 H THR 104 H THR 104 -4.819 6.286 -2.376 606 HA THR 104 HA THR 104 -2.128 5.102 -2.436 607 HB THR 104 HB THR 104 -4.083 4.310 -0.358 608 HG1 THR 104 HG1 THR 104 -3.202 6.187 0.894 609 1HG2 THR 104 1HG2 THR 104 -1.113 4.832 -0.320 610 2HG2 THR 104 2HG2 THR 104 -1.884 3.254 -0.493 611 3HG2 THR 104 3HG2 THR 104 -2.059 4.164 1.008 612 H SER 105 H SER 105 -1.876 3.033 -2.952 613 HA SER 105 HA SER 105 -4.072 1.195 -3.220 614 1HB SER 105 1HB SER 105 -2.542 2.004 -5.712 615 2HB SER 105 2HB SER 105 -3.832 0.809 -5.611 616 HG SER 105 HG SER 105 -4.822 3.022 -4.614 617 H ASN 106 H ASN 106 -3.265 -0.977 -3.805 618 HA ASN 106 HA ASN 106 -0.518 -1.456 -3.067 619 1HB ASN 106 1HB ASN 106 -1.109 -3.849 -3.721 620 2HB ASN 106 2HB ASN 106 -2.054 -3.159 -2.408 621 1HD2 ASN 106 1HD2 ASN 106 -3.809 -4.462 -2.666 622 2HD2 ASN 106 2HD2 ASN 106 -4.853 -4.379 -4.045 623 H HIS 107 H HIS 107 -2.142 -0.471 -5.741 624 HA HIS 107 HA HIS 107 -1.817 -0.348 -7.975 625 1HB HIS 107 1HB HIS 107 0.032 1.054 -6.921 626 2HB HIS 107 2HB HIS 107 1.119 -0.277 -7.292 627 HD1 HIS 107 HD1 HIS 107 -0.188 2.789 -8.693 628 HD2 HIS 107 HD2 HIS 107 1.144 -0.853 -10.211 629 HE1 HIS 107 HE1 HIS 107 0.331 3.207 -11.113 630 HE2 HIS 107 HE2 HIS 107 0.902 0.939 -12.058 631 H LEU 108 H LEU 108 -2.550 -2.640 -8.034 632 HA LEU 108 HA LEU 108 -0.427 -4.403 -9.052 633 1HB LEU 108 1HB LEU 108 -3.204 -5.080 -8.078 634 2HB LEU 108 2HB LEU 108 -2.065 -6.233 -8.742 635 HG LEU 108 HG LEU 108 -1.602 -4.629 -6.249 636 1HD1 LEU 108 1HD1 LEU 108 -3.427 -6.201 -5.927 637 2HD1 LEU 108 2HD1 LEU 108 -1.992 -6.736 -5.053 638 3HD1 LEU 108 3HD1 LEU 108 -2.432 -7.503 -6.580 639 1HD2 LEU 108 1HD2 LEU 108 -0.078 -6.931 -7.450 640 2HD2 LEU 108 2HD2 LEU 108 0.236 -6.220 -5.866 641 3HD2 LEU 108 3HD2 LEU 108 0.475 -5.259 -7.329 642 H ARG 109 H ARG 109 -1.717 -6.118 -10.541 643 HA ARG 109 HA ARG 109 -2.501 -6.551 -12.628 644 1HB ARG 109 1HB ARG 109 -4.282 -4.205 -11.984 645 2HB ARG 109 2HB ARG 109 -4.459 -5.193 -13.426 646 1HG ARG 109 1HG ARG 109 -4.880 -7.156 -12.044 647 2HG ARG 109 2HG ARG 109 -4.672 -6.178 -10.587 648 1HD ARG 109 1HD ARG 109 -6.575 -4.819 -11.177 649 2HD ARG 109 2HD ARG 109 -6.739 -5.655 -12.718 650 HE ARG 109 HE ARG 109 -7.069 -7.697 -11.101 651 1HH1 ARG 109 1HH1 ARG 109 -8.266 -4.428 -10.724 652 2HH1 ARG 109 2HH1 ARG 109 -9.709 -4.904 -9.889 653 1HH2 ARG 109 1HH2 ARG 109 -8.985 -8.348 -10.017 654 2HH2 ARG 109 2HH2 ARG 109 -10.146 -7.147 -9.530 655 H VAL 110 H VAL 110 -0.940 -6.277 -14.059 656 HA VAL 110 HA VAL 110 -0.426 -3.586 -15.106 657 HB VAL 110 HB VAL 110 1.095 -6.144 -15.576 658 1HG1 VAL 110 1HG1 VAL 110 2.833 -4.681 -16.527 659 2HG1 VAL 110 2HG1 VAL 110 1.741 -3.307 -16.354 660 3HG1 VAL 110 3HG1 VAL 110 1.329 -4.629 -17.446 661 1HG2 VAL 110 1HG2 VAL 110 1.789 -3.785 -13.835 662 2HG2 VAL 110 2HG2 VAL 110 2.816 -5.190 -14.127 663 3HG2 VAL 110 3HG2 VAL 110 1.288 -5.377 -13.264 664 H ARG 111 H ARG 111 -1.150 -3.020 -17.049 665 HA ARG 111 HA ARG 111 -2.298 -5.127 -18.763 666 1HB ARG 111 1HB ARG 111 -3.204 -2.277 -18.353 667 2HB ARG 111 2HB ARG 111 -3.825 -3.327 -19.618 668 1HG ARG 111 1HG ARG 111 -4.663 -4.874 -17.920 669 2HG ARG 111 2HG ARG 111 -4.038 -3.811 -16.656 670 1HD ARG 111 1HD ARG 111 -5.512 -2.039 -17.348 671 2HD ARG 111 2HD ARG 111 -6.063 -2.985 -18.730 672 HE ARG 111 HE ARG 111 -6.525 -4.398 -16.319 673 1HH1 ARG 111 1HH1 ARG 111 -7.719 -1.656 -18.138 674 2HH1 ARG 111 2HH1 ARG 111 -9.341 -1.804 -17.556 675 1HH2 ARG 111 1HH2 ARG 111 -8.674 -4.628 -15.584 676 2HH2 ARG 111 2HH2 ARG 111 -9.898 -3.511 -16.118 677 H ASP 112 H ASP 112 -1.816 -5.155 -20.892 678 HA ASP 112 HA ASP 112 0.006 -3.058 -21.882 679 1HB ASP 112 1HB ASP 112 1.100 -5.271 -21.725 680 2HB ASP 112 2HB ASP 112 -0.153 -5.959 -22.750 681 H SER 113 H SER 113 -1.537 -1.721 -22.732 682 HA SER 113 HA SER 113 -2.695 -2.569 -25.244 683 1HB SER 113 1HB SER 113 -4.471 -1.618 -22.979 684 2HB SER 113 2HB SER 113 -4.991 -1.851 -24.646 685 HG SER 113 HG SER 113 -3.850 -4.103 -23.927 686 H VAL 114 H VAL 114 -2.672 -0.924 -26.654 687 HA VAL 114 HA VAL 114 -2.476 1.810 -25.600 688 HB VAL 114 HB VAL 114 -1.483 2.419 -27.791 689 1HG1 VAL 114 1HG1 VAL 114 -0.012 0.261 -26.286 690 2HG1 VAL 114 2HG1 VAL 114 -0.028 1.981 -25.896 691 3HG1 VAL 114 3HG1 VAL 114 0.724 1.422 -27.389 692 1HG2 VAL 114 1HG2 VAL 114 -1.449 -0.553 -28.267 693 2HG2 VAL 114 2HG2 VAL 114 -0.657 0.657 -29.275 694 3HG2 VAL 114 3HG2 VAL 114 -2.416 0.631 -29.147 695 H ALA 115 H ALA 115 -3.545 3.479 -26.986 696 HA ALA 115 HA ALA 115 -6.245 2.703 -27.438 697 1HB ALA 115 1HB ALA 115 -5.638 4.943 -26.639 698 2HB ALA 115 2HB ALA 115 -6.613 5.010 -28.107 699 3HB ALA 115 3HB ALA 115 -4.873 5.280 -28.190 700 H SER 116 H SER 116 -6.465 1.228 -29.045 701 HA SER 116 HA SER 116 -5.290 1.859 -31.659 702 1HB SER 116 1HB SER 116 -6.391 -0.799 -30.708 703 2HB SER 116 2HB SER 116 -5.420 -0.505 -32.151 704 HG SER 116 HG SER 116 -4.530 -0.021 -29.495 705 H VAL 117 H VAL 117 -7.846 2.829 -30.389 706 HA VAL 117 HA VAL 117 -9.934 1.690 -32.001 707 HB VAL 117 HB VAL 117 -11.301 3.636 -31.070 708 1HG1 VAL 117 1HG1 VAL 117 -10.010 1.659 -29.194 709 2HG1 VAL 117 2HG1 VAL 117 -11.466 1.411 -30.158 710 3HG1 VAL 117 3HG1 VAL 117 -11.471 2.583 -28.840 711 1HG2 VAL 117 1HG2 VAL 117 -10.394 4.740 -29.076 712 2HG2 VAL 117 2HG2 VAL 117 -9.453 5.132 -30.513 713 3HG2 VAL 117 3HG2 VAL 117 -8.835 3.958 -29.351 714 H LEU 118 H LEU 118 -9.376 1.980 -34.100 715 HA LEU 118 HA LEU 118 -9.207 4.761 -35.058 716 1HB LEU 118 1HB LEU 118 -7.780 2.383 -36.256 717 2HB LEU 118 2HB LEU 118 -7.649 4.054 -36.770 718 HG LEU 118 HG LEU 118 -6.713 2.981 -34.108 719 1HD1 LEU 118 1HD1 LEU 118 -5.362 2.160 -35.965 720 2HD1 LEU 118 2HD1 LEU 118 -4.467 3.330 -34.993 721 3HD1 LEU 118 3HD1 LEU 118 -5.151 3.813 -36.546 722 1HD2 LEU 118 1HD2 LEU 118 -7.414 5.313 -33.986 723 2HD2 LEU 118 2HD2 LEU 118 -6.385 5.700 -35.367 724 3HD2 LEU 118 3HD2 LEU 118 -5.662 5.169 -33.848 725 H GLY 119 H GLY 119 -9.357 1.650 -36.752 726 1HA GLY 119 1HA GLY 119 -11.974 2.465 -37.856 727 2HA GLY 119 2HA GLY 119 -10.738 1.673 -38.829 728 H ASP 120 H ASP 120 -11.472 0.901 -35.515 729 HA ASP 120 HA ASP 120 -11.645 -1.891 -36.067 730 1HB ASP 120 1HB ASP 120 -12.234 -1.990 -33.599 731 2HB ASP 120 2HB ASP 120 -10.694 -1.224 -33.988 732 H THR 121 H THR 121 -13.965 0.653 -35.470 733 HA THR 121 HA THR 121 -16.216 0.736 -35.278 734 HB THR 121 HB THR 121 -17.505 -0.620 -36.956 735 HG1 THR 121 HG1 THR 121 -15.309 -2.103 -36.973 736 1HG2 THR 121 1HG2 THR 121 -15.114 0.890 -38.007 737 2HG2 THR 121 2HG2 THR 121 -16.639 1.602 -37.487 738 3HG2 THR 121 3HG2 THR 121 -16.597 0.548 -38.899 739 H LEU 122 H LEU 122 -16.102 -0.062 -33.088 740 HA LEU 122 HA LEU 122 -16.832 -2.854 -32.681 741 1HB LEU 122 1HB LEU 122 -16.289 -0.648 -30.693 742 2HB LEU 122 2HB LEU 122 -16.598 -2.321 -30.279 743 HG LEU 122 HG LEU 122 -14.219 -1.323 -31.853 744 1HD1 LEU 122 1HD1 LEU 122 -14.408 -2.324 -29.017 745 2HD1 LEU 122 2HD1 LEU 122 -14.156 -0.648 -29.504 746 3HD1 LEU 122 3HD1 LEU 122 -12.930 -1.865 -29.863 747 1HD2 LEU 122 1HD2 LEU 122 -13.369 -3.592 -31.594 748 2HD2 LEU 122 2HD2 LEU 122 -14.890 -3.583 -32.486 749 3HD2 LEU 122 3HD2 LEU 122 -14.864 -4.071 -30.791 750 HA PRO 123 HA PRO 123 -21.090 -1.380 -32.188 751 1HB PRO 123 1HB PRO 123 -22.123 -3.797 -33.138 752 2HB PRO 123 2HB PRO 123 -21.843 -2.344 -34.098 753 1HG PRO 123 1HG PRO 123 -20.498 -4.830 -34.320 754 2HG PRO 123 2HG PRO 123 -20.107 -3.322 -35.159 755 1HD PRO 123 1HD PRO 123 -18.866 -4.527 -32.749 756 2HD PRO 123 2HD PRO 123 -18.153 -3.457 -33.975 757 H PHE 124 H PHE 124 -22.717 -1.962 -30.698 758 HA PHE 124 HA PHE 124 -22.193 -4.324 -29.035 759 1HB PHE 124 1HB PHE 124 -21.183 -2.338 -27.929 760 2HB PHE 124 2HB PHE 124 -22.766 -1.571 -27.914 761 HD1 PHE 124 HD1 PHE 124 -20.834 -4.448 -26.619 762 HD2 PHE 124 HD2 PHE 124 -24.331 -2.051 -26.224 763 HE1 PHE 124 HE1 PHE 124 -21.327 -5.522 -24.459 764 HE2 PHE 124 HE2 PHE 124 -24.824 -3.121 -24.066 765 HZ PHE 124 HZ PHE 124 -23.323 -4.856 -23.181 766 H ALA 125 H ALA 125 -23.933 -5.514 -29.277 767 HA ALA 125 HA ALA 125 -26.080 -6.216 -29.439 768 1HB ALA 125 1HB ALA 125 -26.134 -5.393 -27.129 769 2HB ALA 125 2HB ALA 125 -27.697 -5.207 -27.926 770 3HB ALA 125 3HB ALA 125 -26.644 -3.808 -27.712 Start of MODEL 7 1 H GLN 23 H GLN 23 -3.926 -10.164 0.495 2 HA GLN 23 HA GLN 23 -1.898 -11.715 1.961 3 1HB GLN 23 1HB GLN 23 -1.807 -12.135 -0.506 4 2HB GLN 23 2HB GLN 23 -1.522 -10.422 -0.753 5 1HG GLN 23 1HG GLN 23 0.586 -11.380 -0.900 6 2HG GLN 23 2HG GLN 23 0.529 -10.722 0.733 7 1HE2 GLN 23 1HE2 GLN 23 0.621 -12.099 2.468 8 2HE2 GLN 23 2HE2 GLN 23 0.927 -13.792 2.312 9 HA PRO 24 HA PRO 24 -1.310 -7.534 3.534 10 1HB PRO 24 1HB PRO 24 0.387 -8.783 5.534 11 2HB PRO 24 2HB PRO 24 -1.178 -7.998 5.747 12 1HG PRO 24 1HG PRO 24 -0.836 -10.665 6.056 13 2HG PRO 24 2HG PRO 24 -2.350 -9.950 5.471 14 1HD PRO 24 1HD PRO 24 -0.127 -11.214 3.898 15 2HD PRO 24 2HD PRO 24 -1.887 -11.433 3.740 16 H ASP 25 H ASP 25 0.068 -6.314 2.408 17 HA ASP 25 HA ASP 25 2.926 -6.954 2.542 18 1HB ASP 25 1HB ASP 25 3.226 -6.470 0.183 19 2HB ASP 25 2HB ASP 25 2.049 -7.764 0.373 20 H GLY 26 H GLY 26 0.410 -4.592 1.998 21 1HA GLY 26 1HA GLY 26 0.930 -2.502 3.392 22 2HA GLY 26 2HA GLY 26 2.355 -2.415 2.364 23 H VAL 27 H VAL 27 0.465 -0.358 2.500 24 HA VAL 27 HA VAL 27 -0.952 -0.604 -0.053 25 HB VAL 27 HB VAL 27 -2.007 1.594 0.560 26 1HG1 VAL 27 1HG1 VAL 27 -2.403 -0.709 2.470 27 2HG1 VAL 27 2HG1 VAL 27 -3.143 -0.539 0.878 28 3HG1 VAL 27 3HG1 VAL 27 -3.557 0.591 2.168 29 1HG2 VAL 27 1HG2 VAL 27 -0.342 2.386 2.150 30 2HG2 VAL 27 2HG2 VAL 27 -0.709 1.041 3.229 31 3HG2 VAL 27 3HG2 VAL 27 -1.927 2.277 2.913 32 H GLN 28 H GLN 28 -0.458 0.535 -1.827 33 HA GLN 28 HA GLN 28 2.124 1.943 -1.734 34 1HB GLN 28 1HB GLN 28 2.106 0.178 -3.304 35 2HB GLN 28 2HB GLN 28 0.548 0.646 -3.951 36 1HG GLN 28 1HG GLN 28 2.066 1.291 -5.585 37 2HG GLN 28 2HG GLN 28 1.726 2.784 -4.716 38 1HE2 GLN 28 1HE2 GLN 28 4.031 2.099 -6.342 39 2HE2 GLN 28 2HE2 GLN 28 5.409 2.249 -5.306 40 H ILE 29 H ILE 29 2.303 4.037 -2.077 41 HA ILE 29 HA ILE 29 0.024 5.731 -2.502 42 HB ILE 29 HB ILE 29 2.972 6.370 -2.685 43 1HG1 ILE 29 1HG1 ILE 29 2.182 5.641 -0.443 44 2HG1 ILE 29 2HG1 ILE 29 2.740 7.311 -0.466 45 1HG2 ILE 29 1HG2 ILE 29 0.605 8.228 -2.590 46 2HG2 ILE 29 2HG2 ILE 29 1.670 7.963 -3.970 47 3HG2 ILE 29 3HG2 ILE 29 2.299 8.720 -2.507 48 1HD1 ILE 29 1HD1 ILE 29 0.745 7.134 0.855 49 2HD1 ILE 29 2HD1 ILE 29 -0.120 6.369 -0.476 50 3HD1 ILE 29 3HD1 ILE 29 0.390 8.052 -0.607 51 H ASP 30 H ASP 30 -0.973 5.859 -4.382 52 HA ASP 30 HA ASP 30 0.274 5.097 -6.854 53 1HB ASP 30 1HB ASP 30 -2.112 4.650 -6.443 54 2HB ASP 30 2HB ASP 30 -2.423 6.375 -6.340 55 H SER 31 H SER 31 -1.479 8.072 -6.004 56 HA SER 31 HA SER 31 0.676 9.664 -7.116 57 1HB SER 31 1HB SER 31 -1.049 10.900 -8.575 58 2HB SER 31 2HB SER 31 -0.477 9.330 -9.137 59 HG SER 31 HG SER 31 -2.370 8.386 -8.479 60 H VAL 32 H VAL 32 0.782 11.663 -6.340 61 HA VAL 32 HA VAL 32 -1.164 12.510 -4.329 62 HB VAL 32 HB VAL 32 1.545 13.674 -5.024 63 1HG1 VAL 32 1HG1 VAL 32 -0.298 14.218 -2.697 64 2HG1 VAL 32 2HG1 VAL 32 0.082 15.324 -4.018 65 3HG1 VAL 32 3HG1 VAL 32 1.338 14.854 -2.873 66 1HG2 VAL 32 1HG2 VAL 32 2.350 12.610 -2.971 67 2HG2 VAL 32 2HG2 VAL 32 1.760 11.414 -4.126 68 3HG2 VAL 32 3HG2 VAL 32 0.769 11.862 -2.737 69 H VAL 33 H VAL 33 -2.710 13.932 -4.960 70 HA VAL 33 HA VAL 33 -2.351 15.304 -7.500 71 HB VAL 33 HB VAL 33 -4.452 14.047 -7.063 72 1HG1 VAL 33 1HG1 VAL 33 -4.726 14.523 -4.693 73 2HG1 VAL 33 2HG1 VAL 33 -6.164 14.986 -5.604 74 3HG1 VAL 33 3HG1 VAL 33 -5.030 16.221 -5.060 75 1HG2 VAL 33 1HG2 VAL 33 -4.790 17.000 -7.500 76 2HG2 VAL 33 2HG2 VAL 33 -5.968 15.758 -7.923 77 3HG2 VAL 33 3HG2 VAL 33 -4.399 15.799 -8.727 78 HA PRO 34 HA PRO 34 -1.061 19.083 -5.584 79 1HB PRO 34 1HB PRO 34 -1.946 20.777 -7.587 80 2HB PRO 34 2HB PRO 34 -0.400 19.921 -7.593 81 1HG PRO 34 1HG PRO 34 -2.971 19.206 -8.946 82 2HG PRO 34 2HG PRO 34 -1.308 19.063 -9.549 83 1HD PRO 34 1HD PRO 34 -2.643 16.926 -8.650 84 2HD PRO 34 2HD PRO 34 -0.905 17.116 -8.344 85 H GLY 35 H GLY 35 -1.941 20.780 -4.435 86 1HA GLY 35 1HA GLY 35 -3.646 22.200 -3.662 87 2HA GLY 35 2HA GLY 35 -4.803 21.303 -4.637 88 H SER 36 H SER 36 -2.566 19.601 -2.647 89 HA SER 36 HA SER 36 -4.677 19.059 -0.670 90 1HB SER 36 1HB SER 36 -3.785 16.727 -0.571 91 2HB SER 36 2HB SER 36 -4.468 17.138 -2.145 92 HG SER 36 HG SER 36 -2.594 16.771 -2.999 93 HA PRO 37 HA PRO 37 -1.654 20.001 2.462 94 1HB PRO 37 1HB PRO 37 -2.178 18.057 4.327 95 2HB PRO 37 2HB PRO 37 -3.153 19.515 4.124 96 1HG PRO 37 1HG PRO 37 -3.641 16.752 3.090 97 2HG PRO 37 2HG PRO 37 -4.792 17.903 3.798 98 1HD PRO 37 1HD PRO 37 -4.624 17.519 1.140 99 2HD PRO 37 2HD PRO 37 -4.974 19.117 1.832 100 H ALA 38 H ALA 38 -1.905 16.694 1.303 101 HA ALA 38 HA ALA 38 0.639 15.894 2.391 102 1HB ALA 38 1HB ALA 38 -1.113 14.491 0.377 103 2HB ALA 38 2HB ALA 38 -1.221 14.307 2.128 104 3HB ALA 38 3HB ALA 38 0.230 13.781 1.273 105 H SER 39 H SER 39 -0.330 17.639 -0.318 106 HA SER 39 HA SER 39 1.293 16.622 -2.353 107 1HB SER 39 1HB SER 39 -0.618 18.169 -2.683 108 2HB SER 39 2HB SER 39 0.353 19.471 -2.000 109 HG SER 39 HG SER 39 1.333 19.682 -3.841 110 H LYS 40 H LYS 40 2.093 18.713 0.317 111 HA LYS 40 HA LYS 40 4.645 19.395 -0.963 112 1HB LYS 40 1HB LYS 40 3.328 20.574 1.486 113 2HB LYS 40 2HB LYS 40 4.850 21.111 0.790 114 1HG LYS 40 1HG LYS 40 3.690 21.757 -1.260 115 2HG LYS 40 2HG LYS 40 2.162 21.210 -0.566 116 1HD LYS 40 1HD LYS 40 3.906 23.399 0.569 117 2HD LYS 40 2HD LYS 40 2.460 23.655 -0.410 118 1HE LYS 40 1HE LYS 40 1.120 22.496 1.293 119 2HE LYS 40 2HE LYS 40 2.570 22.270 2.270 120 1HZ LYS 40 1HZ LYS 40 1.383 24.885 1.509 121 2HZ LYS 40 2HZ LYS 40 2.782 24.674 2.443 122 3HZ LYS 40 3HZ LYS 40 1.278 24.155 3.035 123 H VAL 41 H VAL 41 3.356 17.263 1.299 124 HA VAL 41 HA VAL 41 5.836 17.170 2.869 125 HB VAL 41 HB VAL 41 3.178 15.894 3.529 126 1HG1 VAL 41 1HG1 VAL 41 5.636 16.353 5.215 127 2HG1 VAL 41 2HG1 VAL 41 5.080 14.801 4.588 128 3HG1 VAL 41 3HG1 VAL 41 4.111 15.669 5.778 129 1HG2 VAL 41 1HG2 VAL 41 2.956 18.317 3.497 130 2HG2 VAL 41 2HG2 VAL 41 4.367 18.475 4.541 131 3HG2 VAL 41 3HG2 VAL 41 2.901 17.714 5.153 132 H LEU 42 H LEU 42 3.661 15.163 0.925 133 HA LEU 42 HA LEU 42 5.613 12.968 1.175 134 1HB LEU 42 1HB LEU 42 2.647 12.837 0.652 135 2HB LEU 42 2HB LEU 42 3.721 11.468 0.473 136 HG LEU 42 HG LEU 42 4.316 11.846 2.948 137 1HD1 LEU 42 1HD1 LEU 42 3.321 14.049 3.201 138 2HD1 LEU 42 2HD1 LEU 42 2.560 12.889 4.290 139 3HD1 LEU 42 3HD1 LEU 42 1.731 13.391 2.816 140 1HD2 LEU 42 1HD2 LEU 42 2.374 10.534 3.667 141 2HD2 LEU 42 2HD2 LEU 42 3.045 9.943 2.149 142 3HD2 LEU 42 3HD2 LEU 42 1.568 10.907 2.144 143 H THR 43 H THR 43 5.613 11.486 -0.743 144 HA THR 43 HA THR 43 5.173 12.921 -3.261 145 HB THR 43 HB THR 43 7.258 11.639 -4.075 146 HG1 THR 43 HG1 THR 43 8.055 11.789 -1.365 147 1HG2 THR 43 1HG2 THR 43 8.757 13.438 -3.375 148 2HG2 THR 43 2HG2 THR 43 7.616 13.912 -2.116 149 3HG2 THR 43 3HG2 THR 43 7.176 14.080 -3.817 150 HA PRO 44 HA PRO 44 3.163 9.201 -4.521 151 1HB PRO 44 1HB PRO 44 3.585 9.182 -7.192 152 2HB PRO 44 2HB PRO 44 2.509 10.346 -6.409 153 1HG PRO 44 1HG PRO 44 5.332 10.698 -7.335 154 2HG PRO 44 2HG PRO 44 3.956 11.805 -7.494 155 1HD PRO 44 1HD PRO 44 5.874 12.079 -5.578 156 2HD PRO 44 2HD PRO 44 4.195 12.610 -5.357 157 H GLY 45 H GLY 45 3.490 7.038 -5.124 158 1HA GLY 45 1HA GLY 45 4.667 5.154 -5.779 159 2HA GLY 45 2HA GLY 45 6.036 6.179 -6.178 160 H LEU 46 H LEU 46 4.561 6.315 -3.006 161 HA LEU 46 HA LEU 46 6.932 4.950 -1.923 162 1HB LEU 46 1HB LEU 46 5.023 6.777 -0.464 163 2HB LEU 46 2HB LEU 46 6.534 6.137 0.145 164 HG LEU 46 HG LEU 46 6.204 8.152 -2.068 165 1HD1 LEU 46 1HD1 LEU 46 5.807 9.063 0.147 166 2HD1 LEU 46 2HD1 LEU 46 7.332 9.661 -0.508 167 3HD1 LEU 46 3HD1 LEU 46 7.335 8.391 0.715 168 1HD2 LEU 46 1HD2 LEU 46 8.078 6.744 -2.581 169 2HD2 LEU 46 2HD2 LEU 46 8.684 6.876 -0.932 170 3HD2 LEU 46 3HD2 LEU 46 8.672 8.292 -1.983 171 H VAL 47 H VAL 47 6.571 3.637 0.037 172 HA VAL 47 HA VAL 47 3.948 2.295 -0.043 173 HB VAL 47 HB VAL 47 6.600 1.177 0.905 174 1HG1 VAL 47 1HG1 VAL 47 3.902 -0.142 0.623 175 2HG1 VAL 47 2HG1 VAL 47 4.732 0.231 2.134 176 3HG1 VAL 47 3HG1 VAL 47 5.410 -0.966 1.030 177 1HG2 VAL 47 1HG2 VAL 47 6.462 -0.270 -1.073 178 2HG2 VAL 47 2HG2 VAL 47 6.552 1.435 -1.511 179 3HG2 VAL 47 3HG2 VAL 47 5.007 0.587 -1.591 180 H ILE 48 H ILE 48 2.717 2.329 1.727 181 HA ILE 48 HA ILE 48 3.694 3.768 4.070 182 HB ILE 48 HB ILE 48 0.931 2.726 3.447 183 1HG1 ILE 48 1HG1 ILE 48 1.996 5.552 3.290 184 2HG1 ILE 48 2HG1 ILE 48 1.788 4.497 1.899 185 1HG2 ILE 48 1HG2 ILE 48 0.184 4.167 5.259 186 2HG2 ILE 48 2HG2 ILE 48 1.848 4.651 5.578 187 3HG2 ILE 48 3HG2 ILE 48 1.347 2.981 5.850 188 1HD1 ILE 48 1HD1 ILE 48 -0.042 6.073 2.117 189 2HD1 ILE 48 2HD1 ILE 48 -0.410 5.435 3.721 190 3HD1 ILE 48 3HD1 ILE 48 -0.601 4.411 2.297 191 H GLU 49 H GLU 49 4.500 2.774 5.731 192 HA GLU 49 HA GLU 49 4.250 -0.057 6.156 193 1HB GLU 49 1HB GLU 49 6.299 1.175 6.757 194 2HB GLU 49 2HB GLU 49 5.388 2.112 7.923 195 1HG GLU 49 1HG GLU 49 4.805 -0.257 8.894 196 2HG GLU 49 2HG GLU 49 6.288 -0.717 8.057 197 H SER 50 H SER 50 3.292 2.848 7.949 198 HA SER 50 HA SER 50 1.073 1.387 9.130 199 1HB SER 50 1HB SER 50 1.829 2.139 11.444 200 2HB SER 50 2HB SER 50 2.748 0.826 10.711 201 HG SER 50 HG SER 50 4.467 2.062 10.631 202 H ILE 51 H ILE 51 -0.491 2.660 10.129 203 HA ILE 51 HA ILE 51 -0.277 5.531 9.502 204 HB ILE 51 HB ILE 51 -2.745 3.798 9.708 205 1HG1 ILE 51 1HG1 ILE 51 -1.513 3.571 7.592 206 2HG1 ILE 51 2HG1 ILE 51 -3.059 4.375 7.344 207 1HG2 ILE 51 1HG2 ILE 51 -4.028 5.802 9.121 208 2HG2 ILE 51 2HG2 ILE 51 -2.557 6.771 9.219 209 3HG2 ILE 51 3HG2 ILE 51 -3.198 5.990 10.665 210 1HD1 ILE 51 1HD1 ILE 51 -1.922 6.533 7.268 211 2HD1 ILE 51 2HD1 ILE 51 -1.311 5.425 6.038 212 3HD1 ILE 51 3HD1 ILE 51 -0.375 5.721 7.502 213 H ASN 52 H ASN 52 0.605 6.241 11.347 214 HA ASN 52 HA ASN 52 0.588 7.260 13.346 215 1HB ASN 52 1HB ASN 52 -1.829 7.736 12.638 216 2HB ASN 52 2HB ASN 52 -2.272 6.454 13.760 217 1HD2 ASN 52 1HD2 ASN 52 -2.193 6.821 15.919 218 2HD2 ASN 52 2HD2 ASN 52 -1.850 8.370 16.618 219 H GLY 53 H GLY 53 -1.789 4.778 14.241 220 1HA GLY 53 1HA GLY 53 0.294 3.586 15.966 221 2HA GLY 53 2HA GLY 53 -1.334 3.885 16.555 222 H MET 54 H MET 54 -1.526 3.032 13.365 223 HA MET 54 HA MET 54 -1.837 0.172 13.987 224 1HB MET 54 1HB MET 54 -3.797 1.929 12.494 225 2HB MET 54 2HB MET 54 -3.899 0.177 12.584 226 1HG MET 54 1HG MET 54 -4.297 0.245 14.933 227 2HG MET 54 2HG MET 54 -3.951 1.973 14.994 228 1HE MET 54 1HE MET 54 -5.497 3.831 13.982 229 2HE MET 54 2HE MET 54 -6.995 3.511 13.107 230 3HE MET 54 3HE MET 54 -5.447 3.054 12.398 231 HA PRO 55 HA PRO 55 0.647 0.114 10.241 232 1HB PRO 55 1HB PRO 55 1.062 -2.554 10.197 233 2HB PRO 55 2HB PRO 55 1.958 -1.466 11.258 234 1HG PRO 55 1HG PRO 55 -0.380 -3.220 11.881 235 2HG PRO 55 2HG PRO 55 1.077 -2.913 12.845 236 1HD PRO 55 1HD PRO 55 -1.307 -1.700 13.342 237 2HD PRO 55 2HD PRO 55 0.257 -0.934 13.688 238 H THR 56 H THR 56 -0.041 0.032 8.192 239 HA THR 56 HA THR 56 -2.528 -1.442 7.665 240 HB THR 56 HB THR 56 -2.774 0.176 5.737 241 HG1 THR 56 HG1 THR 56 -0.511 0.832 5.805 242 1HG2 THR 56 1HG2 THR 56 -3.567 2.014 7.174 243 2HG2 THR 56 2HG2 THR 56 -2.694 1.314 8.537 244 3HG2 THR 56 3HG2 THR 56 -4.042 0.439 7.809 245 H SER 57 H SER 57 -1.753 -3.380 7.011 246 HA SER 57 HA SER 57 0.282 -3.496 4.918 247 1HB SER 57 1HB SER 57 -1.018 -5.820 6.358 248 2HB SER 57 2HB SER 57 0.519 -5.806 5.485 249 HG SER 57 HG SER 57 1.222 -4.228 7.101 250 H ASN 58 H ASN 58 -3.098 -3.557 5.212 251 HA ASN 58 HA ASN 58 -3.240 -4.544 2.449 252 1HB ASN 58 1HB ASN 58 -4.203 -6.132 4.251 253 2HB ASN 58 2HB ASN 58 -5.496 -4.950 4.382 254 1HD2 ASN 58 1HD2 ASN 58 -3.925 -7.230 2.316 255 2HD2 ASN 58 2HD2 ASN 58 -5.203 -7.389 1.163 256 H LEU 59 H LEU 59 -5.280 -3.824 1.407 257 HA LEU 59 HA LEU 59 -5.464 -0.976 1.682 258 1HB LEU 59 1HB LEU 59 -5.752 -2.774 -0.379 259 2HB LEU 59 2HB LEU 59 -7.403 -2.291 -0.069 260 HG LEU 59 HG LEU 59 -5.091 -0.523 -0.812 261 1HD1 LEU 59 1HD1 LEU 59 -6.479 -0.013 -2.779 262 2HD1 LEU 59 2HD1 LEU 59 -7.667 -1.192 -2.220 263 3HD1 LEU 59 3HD1 LEU 59 -6.047 -1.721 -2.675 264 1HD2 LEU 59 1HD2 LEU 59 -7.906 0.292 -0.095 265 2HD2 LEU 59 2HD2 LEU 59 -6.671 1.352 -0.771 266 3HD2 LEU 59 3HD2 LEU 59 -6.445 0.649 0.828 267 H THR 60 H THR 60 -7.463 -3.782 2.352 268 HA THR 60 HA THR 60 -9.831 -2.374 3.001 269 HB THR 60 HB THR 60 -9.045 -5.069 4.121 270 HG1 THR 60 HG1 THR 60 -8.849 -5.596 2.062 271 1HG2 THR 60 1HG2 THR 60 -11.124 -4.101 4.980 272 2HG2 THR 60 2HG2 THR 60 -11.459 -5.502 3.963 273 3HG2 THR 60 3HG2 THR 60 -11.707 -3.873 3.332 274 H THR 61 H THR 61 -7.074 -3.489 4.921 275 HA THR 61 HA THR 61 -8.134 -2.643 7.424 276 HB THR 61 HB THR 61 -5.654 -2.807 8.126 277 HG1 THR 61 HG1 THR 61 -4.747 -4.379 6.337 278 1HG2 THR 61 1HG2 THR 61 -5.735 -5.235 8.191 279 2HG2 THR 61 2HG2 THR 61 -6.968 -5.250 6.930 280 3HG2 THR 61 3HG2 THR 61 -7.337 -4.577 8.518 281 H TYR 62 H TYR 62 -6.006 -1.219 5.008 282 HA TYR 62 HA TYR 62 -5.357 1.160 6.326 283 1HB TYR 62 1HB TYR 62 -4.258 0.427 4.266 284 2HB TYR 62 2HB TYR 62 -5.758 0.624 3.374 285 HD1 TYR 62 HD1 TYR 62 -3.435 2.631 5.510 286 HD2 TYR 62 HD2 TYR 62 -6.038 2.550 2.147 287 HE1 TYR 62 HE1 TYR 62 -2.780 4.933 4.955 288 HE2 TYR 62 HE2 TYR 62 -5.391 4.853 1.586 289 HH TYR 62 HH TYR 62 -2.745 6.438 3.114 290 H SER 63 H SER 63 -8.088 0.324 4.245 291 HA SER 63 HA SER 63 -9.338 2.847 4.288 292 1HB SER 63 1HB SER 63 -9.777 0.792 2.748 293 2HB SER 63 2HB SER 63 -10.837 0.243 4.045 294 HG SER 63 HG SER 63 -12.199 1.853 3.666 295 H ALA 64 H ALA 64 -9.593 0.014 6.388 296 HA ALA 64 HA ALA 64 -11.768 0.920 7.942 297 1HB ALA 64 1HB ALA 64 -11.059 -1.419 7.901 298 2HB ALA 64 2HB ALA 64 -11.085 -0.793 9.549 299 3HB ALA 64 3HB ALA 64 -9.551 -0.979 8.699 300 H ALA 65 H ALA 65 -8.312 1.424 8.136 301 HA ALA 65 HA ALA 65 -8.325 2.661 10.706 302 1HB ALA 65 1HB ALA 65 -6.295 2.853 8.477 303 2HB ALA 65 2HB ALA 65 -6.300 1.657 9.773 304 3HB ALA 65 3HB ALA 65 -6.044 3.361 10.146 305 H LEU 66 H LEU 66 -8.334 3.857 7.372 306 HA LEU 66 HA LEU 66 -8.209 6.592 7.934 307 1HB LEU 66 1HB LEU 66 -8.906 4.864 5.663 308 2HB LEU 66 2HB LEU 66 -9.600 6.458 5.621 309 HG LEU 66 HG LEU 66 -6.664 5.799 5.774 310 1HD1 LEU 66 1HD1 LEU 66 -7.669 5.412 3.581 311 2HD1 LEU 66 2HD1 LEU 66 -6.559 6.781 3.554 312 3HD1 LEU 66 3HD1 LEU 66 -8.299 7.059 3.577 313 1HD2 LEU 66 1HD2 LEU 66 -8.034 8.481 5.679 314 2HD2 LEU 66 2HD2 LEU 66 -6.297 8.206 5.558 315 3HD2 LEU 66 3HD2 LEU 66 -7.152 7.809 7.048 316 H LYS 67 H LYS 67 -10.873 4.338 7.803 317 HA LYS 67 HA LYS 67 -13.031 6.097 7.696 318 1HB LYS 67 1HB LYS 67 -13.055 3.566 7.492 319 2HB LYS 67 2HB LYS 67 -12.987 3.504 9.246 320 1HG LYS 67 1HG LYS 67 -15.091 4.844 9.297 321 2HG LYS 67 2HG LYS 67 -15.173 4.673 7.544 322 1HD LYS 67 1HD LYS 67 -15.226 2.442 9.578 323 2HD LYS 67 2HD LYS 67 -16.577 3.007 8.599 324 1HE LYS 67 1HE LYS 67 -15.321 2.335 6.565 325 2HE LYS 67 2HE LYS 67 -14.061 1.672 7.604 326 1HZ LYS 67 1HZ LYS 67 -16.855 0.741 7.308 327 2HZ LYS 67 2HZ LYS 67 -15.886 0.270 8.614 328 3HZ LYS 67 3HZ LYS 67 -15.428 -0.131 7.030 329 H THR 68 H THR 68 -10.836 5.482 10.289 330 HA THR 68 HA THR 68 -12.720 6.574 12.254 331 HB THR 68 HB THR 68 -11.174 5.805 13.984 332 HG1 THR 68 HG1 THR 68 -9.572 5.162 11.740 333 1HG2 THR 68 1HG2 THR 68 -11.793 3.675 11.937 334 2HG2 THR 68 2HG2 THR 68 -12.892 4.268 13.181 335 3HG2 THR 68 3HG2 THR 68 -11.433 3.391 13.640 336 H ILE 69 H ILE 69 -10.138 7.594 10.325 337 HA ILE 69 HA ILE 69 -8.920 9.404 12.187 338 HB ILE 69 HB ILE 69 -8.705 9.393 9.171 339 1HG1 ILE 69 1HG1 ILE 69 -8.000 7.241 10.078 340 2HG1 ILE 69 2HG1 ILE 69 -6.598 8.151 9.528 341 1HG2 ILE 69 1HG2 ILE 69 -7.992 11.498 10.161 342 2HG2 ILE 69 2HG2 ILE 69 -6.604 10.603 9.542 343 3HG2 ILE 69 3HG2 ILE 69 -6.931 10.633 11.276 344 1HD1 ILE 69 1HD1 ILE 69 -6.112 8.779 11.850 345 2HD1 ILE 69 2HD1 ILE 69 -6.128 7.031 11.619 346 3HD1 ILE 69 3HD1 ILE 69 -7.500 7.830 12.383 347 H SER 70 H SER 70 -9.228 11.584 12.431 348 HA SER 70 HA SER 70 -11.796 12.554 11.359 349 1HB SER 70 1HB SER 70 -10.276 13.605 13.748 350 2HB SER 70 2HB SER 70 -11.959 13.921 13.322 351 HG SER 70 HG SER 70 -11.067 11.286 13.734 352 H VAL 71 H VAL 71 -11.899 15.051 11.260 353 HA VAL 71 HA VAL 71 -9.793 15.977 9.511 354 HB VAL 71 HB VAL 71 -12.263 17.415 10.502 355 1HG1 VAL 71 1HG1 VAL 71 -11.893 18.943 8.624 356 2HG1 VAL 71 2HG1 VAL 71 -10.395 18.097 8.234 357 3HG1 VAL 71 3HG1 VAL 71 -10.541 18.972 9.759 358 1HG2 VAL 71 1HG2 VAL 71 -11.772 15.965 7.906 359 2HG2 VAL 71 2HG2 VAL 71 -13.216 16.892 8.314 360 3HG2 VAL 71 3HG2 VAL 71 -12.826 15.427 9.215 361 H GLY 72 H GLY 72 -8.253 17.481 9.973 362 1HA GLY 72 1HA GLY 72 -7.152 19.152 11.191 363 2HA GLY 72 2HA GLY 72 -8.356 18.985 12.466 364 H GLU 73 H GLU 73 -7.682 15.963 11.823 365 HA GLU 73 HA GLU 73 -6.034 15.653 14.159 366 1HB GLU 73 1HB GLU 73 -8.046 14.230 13.534 367 2HB GLU 73 2HB GLU 73 -7.031 13.520 12.294 368 1HG GLU 73 1HG GLU 73 -5.631 12.494 13.847 369 2HG GLU 73 2HG GLU 73 -6.229 13.493 15.173 370 H VAL 74 H VAL 74 -4.013 14.671 14.202 371 HA VAL 74 HA VAL 74 -2.563 14.819 11.642 372 HB VAL 74 HB VAL 74 -1.407 15.236 14.409 373 1HG1 VAL 74 1HG1 VAL 74 0.548 16.110 13.187 374 2HG1 VAL 74 2HG1 VAL 74 -0.228 15.671 11.665 375 3HG1 VAL 74 3HG1 VAL 74 0.228 14.415 12.817 376 1HG2 VAL 74 1HG2 VAL 74 -1.250 17.612 13.797 377 2HG2 VAL 74 2HG2 VAL 74 -2.920 17.052 13.895 378 3HG2 VAL 74 3HG2 VAL 74 -2.156 17.276 12.322 379 H ILE 75 H ILE 75 -1.951 12.897 10.923 380 HA ILE 75 HA ILE 75 -1.599 10.744 12.888 381 HB ILE 75 HB ILE 75 -1.837 9.210 10.905 382 1HG1 ILE 75 1HG1 ILE 75 -2.815 11.752 9.579 383 2HG1 ILE 75 2HG1 ILE 75 -1.361 10.861 9.146 384 1HG2 ILE 75 1HG2 ILE 75 -3.620 9.607 12.537 385 2HG2 ILE 75 2HG2 ILE 75 -4.268 9.331 10.920 386 3HG2 ILE 75 3HG2 ILE 75 -4.197 10.967 11.575 387 1HD1 ILE 75 1HD1 ILE 75 -2.709 8.964 8.459 388 2HD1 ILE 75 2HD1 ILE 75 -3.185 10.428 7.597 389 3HD1 ILE 75 3HD1 ILE 75 -4.174 9.826 8.927 390 H ASN 76 H ASN 76 0.061 9.255 12.628 391 HA ASN 76 HA ASN 76 2.512 10.449 11.549 392 1HB ASN 76 1HB ASN 76 2.646 9.988 13.887 393 2HB ASN 76 2HB ASN 76 1.946 8.393 13.677 394 1HD2 ASN 76 1HD2 ASN 76 3.577 7.352 14.686 395 2HD2 ASN 76 2HD2 ASN 76 5.165 7.201 14.019 396 H ILE 77 H ILE 77 2.902 9.761 9.535 397 HA ILE 77 HA ILE 77 2.156 6.999 8.833 398 HB ILE 77 HB ILE 77 2.683 9.305 6.953 399 1HG1 ILE 77 1HG1 ILE 77 0.055 8.100 7.855 400 2HG1 ILE 77 2HG1 ILE 77 0.672 9.677 8.337 401 1HG2 ILE 77 1HG2 ILE 77 3.113 7.143 5.938 402 2HG2 ILE 77 2HG2 ILE 77 1.627 7.827 5.280 403 3HG2 ILE 77 3HG2 ILE 77 1.548 6.547 6.490 404 1HD1 ILE 77 1HD1 ILE 77 -0.051 8.851 5.533 405 2HD1 ILE 77 2HD1 ILE 77 0.544 10.436 6.032 406 3HD1 ILE 77 3HD1 ILE 77 -1.022 9.864 6.603 407 H THR 78 H THR 78 3.856 5.737 9.176 408 HA THR 78 HA THR 78 6.528 6.576 8.410 409 HB THR 78 HB THR 78 5.592 3.865 9.386 410 HG1 THR 78 HG1 THR 78 5.896 6.222 10.688 411 1HG2 THR 78 1HG2 THR 78 7.959 3.540 9.966 412 2HG2 THR 78 2HG2 THR 78 8.343 5.110 9.258 413 3HG2 THR 78 3HG2 THR 78 7.749 3.802 8.234 414 H THR 79 H THR 79 7.271 6.330 6.387 415 HA THR 79 HA THR 79 5.977 4.291 4.698 416 HB THR 79 HB THR 79 6.305 5.721 2.755 417 HG1 THR 79 HG1 THR 79 7.459 7.496 4.663 418 1HG2 THR 79 1HG2 THR 79 4.689 7.487 3.280 419 2HG2 THR 79 2HG2 THR 79 4.915 7.181 5.002 420 3HG2 THR 79 3HG2 THR 79 4.201 5.941 3.973 421 H ASP 80 H ASP 80 7.366 3.853 2.699 422 HA ASP 80 HA ASP 80 9.856 2.774 3.413 423 1HB ASP 80 1HB ASP 80 8.568 1.916 1.544 424 2HB ASP 80 2HB ASP 80 8.683 3.459 0.708 425 H GLN 81 H GLN 81 8.979 5.984 2.611 426 HA GLN 81 HA GLN 81 11.726 6.678 1.869 427 1HB GLN 81 1HB GLN 81 9.695 7.345 0.447 428 2HB GLN 81 2HB GLN 81 9.356 8.508 1.716 429 1HG GLN 81 1HG GLN 81 10.533 9.581 -0.082 430 2HG GLN 81 2HG GLN 81 11.558 9.528 1.353 431 1HE2 GLN 81 1HE2 GLN 81 10.961 6.753 -0.689 432 2HE2 GLN 81 2HE2 GLN 81 12.569 6.633 -1.320 433 H GLY 82 H GLY 82 10.076 6.384 4.583 434 1HA GLY 82 1HA GLY 82 11.448 7.244 6.522 435 2HA GLY 82 2HA GLY 82 11.214 8.826 5.795 436 H THR 83 H THR 83 10.491 8.746 8.276 437 HA THR 83 HA THR 83 7.667 8.013 8.479 438 HB THR 83 HB THR 83 9.492 9.076 10.640 439 HG1 THR 83 HG1 THR 83 10.135 7.045 10.999 440 1HG2 THR 83 1HG2 THR 83 7.868 8.051 12.164 441 2HG2 THR 83 2HG2 THR 83 6.894 7.541 10.786 442 3HG2 THR 83 3HG2 THR 83 7.100 9.258 11.133 443 H PHE 84 H PHE 84 6.281 9.546 7.787 444 HA PHE 84 HA PHE 84 6.972 12.372 8.240 445 1HB PHE 84 1HB PHE 84 5.003 11.163 6.283 446 2HB PHE 84 2HB PHE 84 5.353 12.879 6.448 447 HD1 PHE 84 HD1 PHE 84 7.696 13.673 5.924 448 HD2 PHE 84 HD2 PHE 84 6.275 9.802 4.884 449 HE1 PHE 84 HE1 PHE 84 9.492 13.467 4.256 450 HE2 PHE 84 HE2 PHE 84 8.072 9.585 3.216 451 HZ PHE 84 HZ PHE 84 9.686 11.420 2.900 452 H HIS 85 H HIS 85 5.000 13.797 8.552 453 HA HIS 85 HA HIS 85 2.888 12.434 10.054 454 1HB HIS 85 1HB HIS 85 2.821 14.498 11.536 455 2HB HIS 85 2HB HIS 85 4.166 13.399 11.789 456 HD1 HIS 85 HD1 HIS 85 3.353 16.905 10.988 457 HD2 HIS 85 HD2 HIS 85 6.677 14.409 10.787 458 HE1 HIS 85 HE1 HIS 85 5.334 18.428 10.725 459 HE2 HIS 85 HE2 HIS 85 7.327 16.898 10.511 460 H LEU 86 H LEU 86 0.891 12.962 9.441 461 HA LEU 86 HA LEU 86 0.657 15.186 7.509 462 1HB LEU 86 1HB LEU 86 0.498 12.711 6.737 463 2HB LEU 86 2HB LEU 86 -1.095 12.762 7.454 464 HG LEU 86 HG LEU 86 -0.277 14.759 5.362 465 1HD1 LEU 86 1HD1 LEU 86 0.144 12.538 4.440 466 2HD1 LEU 86 2HD1 LEU 86 -1.252 13.298 3.676 467 3HD1 LEU 86 3HD1 LEU 86 -1.488 12.038 4.888 468 1HD2 LEU 86 1HD2 LEU 86 -2.678 14.851 4.943 469 2HD2 LEU 86 2HD2 LEU 86 -2.321 15.214 6.630 470 3HD2 LEU 86 3HD2 LEU 86 -2.952 13.629 6.184 471 H LYS 87 H LYS 87 -1.031 16.529 7.688 472 HA LYS 87 HA LYS 87 -2.850 16.117 9.967 473 1HB LYS 87 1HB LYS 87 -1.244 17.989 10.317 474 2HB LYS 87 2HB LYS 87 -1.853 18.754 8.858 475 1HG LYS 87 1HG LYS 87 -4.079 18.918 9.902 476 2HG LYS 87 2HG LYS 87 -3.408 18.226 11.380 477 1HD LYS 87 1HD LYS 87 -1.815 20.105 11.506 478 2HD LYS 87 2HD LYS 87 -2.567 20.810 10.075 479 1HE LYS 87 1HE LYS 87 -3.458 21.895 12.024 480 2HE LYS 87 2HE LYS 87 -4.717 20.893 11.307 481 1HZ LYS 87 1HZ LYS 87 -4.352 19.230 12.981 482 2HZ LYS 87 2HZ LYS 87 -4.605 20.724 13.744 483 3HZ LYS 87 3HZ LYS 87 -3.035 20.088 13.624 484 H THR 88 H THR 88 -4.911 15.858 9.374 485 HA THR 88 HA THR 88 -5.695 16.167 6.642 486 HB THR 88 HB THR 88 -7.990 15.585 7.513 487 HG1 THR 88 HG1 THR 88 -7.708 14.679 9.804 488 1HG2 THR 88 1HG2 THR 88 -7.378 13.271 8.083 489 2HG2 THR 88 2HG2 THR 88 -5.700 13.775 8.287 490 3HG2 THR 88 3HG2 THR 88 -6.463 13.870 6.700 491 H GLY 89 H GLY 89 -7.005 17.689 5.683 492 1HA GLY 89 1HA GLY 89 -7.659 20.069 7.310 493 2HA GLY 89 2HA GLY 89 -6.742 20.223 5.825 494 H ARG 90 H ARG 90 -9.076 17.809 5.825 495 HA ARG 90 HA ARG 90 -10.443 18.850 3.610 496 1HB ARG 90 1HB ARG 90 -10.330 16.470 4.053 497 2HB ARG 90 2HB ARG 90 -11.248 16.676 5.537 498 1HG ARG 90 1HG ARG 90 -12.662 15.786 3.804 499 2HG ARG 90 2HG ARG 90 -13.183 17.420 4.217 500 1HD ARG 90 1HD ARG 90 -12.218 18.316 2.243 501 2HD ARG 90 2HD ARG 90 -11.344 16.819 1.914 502 HE ARG 90 HE ARG 90 -13.956 16.063 1.896 503 1HH1 ARG 90 1HH1 ARG 90 -12.217 18.626 0.240 504 2HH1 ARG 90 2HH1 ARG 90 -13.153 18.483 -1.216 505 1HH2 ARG 90 1HH2 ARG 90 -15.181 15.879 -0.022 506 2HH2 ARG 90 2HH2 ARG 90 -14.842 16.931 -1.372 507 H ASN 91 H ASN 91 -11.673 20.638 3.670 508 HA ASN 91 HA ASN 91 -13.988 20.584 5.425 509 1HB ASN 91 1HB ASN 91 -12.440 21.921 6.733 510 2HB ASN 91 2HB ASN 91 -12.086 22.939 5.342 511 1HD2 ASN 91 1HD2 ASN 91 -14.534 22.036 7.678 512 2HD2 ASN 91 2HD2 ASN 91 -15.498 23.472 7.504 513 HA PRO 92 HA PRO 92 -15.319 22.056 1.336 514 1HB PRO 92 1HB PRO 92 -17.617 20.358 1.672 515 2HB PRO 92 2HB PRO 92 -16.300 20.188 0.510 516 1HG PRO 92 1HG PRO 92 -16.772 18.447 2.592 517 2HG PRO 92 2HG PRO 92 -15.200 18.662 1.805 518 1HD PRO 92 1HD PRO 92 -16.199 19.793 4.386 519 2HD PRO 92 2HD PRO 92 -14.584 19.180 3.970 520 H ASN 93 H ASN 93 -17.954 20.995 3.441 521 HA ASN 93 HA ASN 93 -18.554 23.711 4.268 522 1HB ASN 93 1HB ASN 93 -20.254 22.134 2.398 523 2HB ASN 93 2HB ASN 93 -21.062 23.084 3.638 524 1HD2 ASN 93 1HD2 ASN 93 -20.985 23.360 0.702 525 2HD2 ASN 93 2HD2 ASN 93 -20.447 24.985 0.420 526 H ASN 94 H ASN 94 -20.107 20.494 4.194 527 HA ASN 94 HA ASN 94 -20.355 20.693 7.127 528 1HB ASN 94 1HB ASN 94 -22.294 19.453 5.163 529 2HB ASN 94 2HB ASN 94 -22.410 19.281 6.910 530 1HD2 ASN 94 1HD2 ASN 94 -22.952 21.081 8.164 531 2HD2 ASN 94 2HD2 ASN 94 -23.722 22.472 7.464 532 H SER 95 H SER 95 -20.832 18.123 4.712 533 HA SER 95 HA SER 95 -19.929 16.063 6.376 534 1HB SER 95 1HB SER 95 -21.328 15.813 4.287 535 2HB SER 95 2HB SER 95 -19.854 16.052 3.352 536 HG SER 95 HG SER 95 -20.141 13.863 3.597 537 H SER 96 H SER 96 -17.972 16.042 7.249 538 HA SER 96 HA SER 96 -15.659 16.504 5.482 539 1HB SER 96 1HB SER 96 -15.857 17.342 8.383 540 2HB SER 96 2HB SER 96 -14.528 17.676 7.274 541 HG SER 96 HG SER 96 -17.200 18.617 6.994 542 H ARG 97 H ARG 97 -14.409 14.783 5.370 543 HA ARG 97 HA ARG 97 -13.997 13.169 7.789 544 1HB ARG 97 1HB ARG 97 -14.177 12.113 4.957 545 2HB ARG 97 2HB ARG 97 -13.778 11.162 6.380 546 1HG ARG 97 1HG ARG 97 -16.029 11.783 7.301 547 2HG ARG 97 2HG ARG 97 -16.404 12.476 5.720 548 1HD ARG 97 1HD ARG 97 -15.892 10.251 4.711 549 2HD ARG 97 2HD ARG 97 -15.726 9.604 6.345 550 HE ARG 97 HE ARG 97 -18.210 10.578 5.100 551 1HH1 ARG 97 1HH1 ARG 97 -16.585 8.930 7.740 552 2HH1 ARG 97 2HH1 ARG 97 -18.052 8.286 8.415 553 1HH2 ARG 97 1HH2 ARG 97 -20.127 9.716 5.967 554 2HH2 ARG 97 2HH2 ARG 97 -20.077 8.735 7.403 555 H ALA 98 H ALA 98 -11.906 11.698 7.248 556 HA ALA 98 HA ALA 98 -9.784 13.569 7.088 557 1HB ALA 98 1HB ALA 98 -9.654 11.553 8.465 558 2HB ALA 98 2HB ALA 98 -8.317 11.635 7.315 559 3HB ALA 98 3HB ALA 98 -9.679 10.556 7.011 560 H TYR 99 H TYR 99 -9.236 14.526 5.193 561 HA TYR 99 HA TYR 99 -8.990 12.784 2.824 562 1HB TYR 99 1HB TYR 99 -10.787 14.735 2.965 563 2HB TYR 99 2HB TYR 99 -9.398 15.727 2.542 564 HD1 TYR 99 HD1 TYR 99 -11.008 12.541 1.438 565 HD2 TYR 99 HD2 TYR 99 -9.083 16.159 0.292 566 HE1 TYR 99 HE1 TYR 99 -11.383 11.986 -0.923 567 HE2 TYR 99 HE2 TYR 99 -9.451 15.608 -2.078 568 HH TYR 99 HH TYR 99 -9.962 13.842 -3.514 569 H MET 100 H MET 100 -7.002 12.680 1.965 570 HA MET 100 HA MET 100 -4.969 14.479 3.091 571 1HB MET 100 1HB MET 100 -4.733 11.701 1.931 572 2HB MET 100 2HB MET 100 -3.360 12.676 2.433 573 1HG MET 100 1HG MET 100 -4.124 12.678 4.712 574 2HG MET 100 2HG MET 100 -5.605 11.841 4.254 575 1HE MET 100 1HE MET 100 -5.703 9.314 3.474 576 2HE MET 100 2HE MET 100 -4.271 8.319 3.209 577 3HE MET 100 3HE MET 100 -4.591 9.705 2.165 578 H GLY 101 H GLY 101 -6.257 13.191 0.093 579 1HA GLY 101 1HA GLY 101 -6.248 14.424 -1.934 580 2HA GLY 101 2HA GLY 101 -4.884 15.355 -1.330 581 H ILE 102 H ILE 102 -4.932 11.901 -1.067 582 HA ILE 102 HA ILE 102 -3.214 11.629 -3.428 583 HB ILE 102 HB ILE 102 -1.644 10.177 -2.227 584 1HG1 ILE 102 1HG1 ILE 102 -1.777 10.561 0.416 585 2HG1 ILE 102 2HG1 ILE 102 -3.494 10.708 0.064 586 1HG2 ILE 102 1HG2 ILE 102 -0.483 11.892 -0.927 587 2HG2 ILE 102 2HG2 ILE 102 -1.941 12.883 -0.939 588 3HG2 ILE 102 3HG2 ILE 102 -1.104 12.530 -2.450 589 1HD1 ILE 102 1HD1 ILE 102 -1.756 8.335 -0.591 590 2HD1 ILE 102 2HD1 ILE 102 -3.482 8.477 -0.923 591 3HD1 ILE 102 3HD1 ILE 102 -2.905 8.447 0.743 592 H ARG 103 H ARG 103 -3.275 9.571 -4.384 593 HA ARG 103 HA ARG 103 -5.493 7.891 -3.435 594 1HB ARG 103 1HB ARG 103 -4.345 8.424 -6.133 595 2HB ARG 103 2HB ARG 103 -5.010 6.825 -5.832 596 1HG ARG 103 1HG ARG 103 -6.694 8.206 -6.828 597 2HG ARG 103 2HG ARG 103 -7.140 7.877 -5.155 598 1HD ARG 103 1HD ARG 103 -6.130 10.103 -4.561 599 2HD ARG 103 2HD ARG 103 -5.986 10.416 -6.288 600 HE ARG 103 HE ARG 103 -8.615 9.767 -5.164 601 1HH1 ARG 103 1HH1 ARG 103 -6.474 12.046 -6.738 602 2HH1 ARG 103 2HH1 ARG 103 -7.730 13.219 -7.025 603 1HH2 ARG 103 1HH2 ARG 103 -10.260 11.275 -5.550 604 2HH2 ARG 103 2HH2 ARG 103 -9.897 12.780 -6.341 605 H THR 104 H THR 104 -5.187 5.790 -2.925 606 HA THR 104 HA THR 104 -2.415 4.810 -2.990 607 HB THR 104 HB THR 104 -3.313 3.326 -1.029 608 HG1 THR 104 HG1 THR 104 -4.806 5.173 0.059 609 1HG2 THR 104 1HG2 THR 104 -2.630 5.037 0.602 610 2HG2 THR 104 2HG2 THR 104 -2.722 6.264 -0.660 611 3HG2 THR 104 3HG2 THR 104 -1.529 4.971 -0.776 612 H SER 105 H SER 105 -2.179 2.492 -3.126 613 HA SER 105 HA SER 105 -4.504 1.012 -4.077 614 1HB SER 105 1HB SER 105 -1.904 1.229 -5.609 615 2HB SER 105 2HB SER 105 -3.187 0.077 -5.969 616 HG SER 105 HG SER 105 -4.166 2.595 -5.781 617 H ASN 106 H ASN 106 -4.111 -1.279 -4.099 618 HA ASN 106 HA ASN 106 -2.054 -2.154 -2.220 619 1HB ASN 106 1HB ASN 106 -4.499 -2.614 -1.694 620 2HB ASN 106 2HB ASN 106 -4.522 -3.669 -3.101 621 1HD2 ASN 106 1HD2 ASN 106 -1.775 -3.344 -0.959 622 2HD2 ASN 106 2HD2 ASN 106 -1.878 -4.929 -0.306 623 H HIS 107 H HIS 107 -0.841 -1.679 -4.305 624 HA HIS 107 HA HIS 107 -1.094 -3.657 -6.393 625 1HB HIS 107 1HB HIS 107 -0.480 -1.190 -6.742 626 2HB HIS 107 2HB HIS 107 1.111 -1.613 -6.121 627 HD1 HIS 107 HD1 HIS 107 2.668 -1.775 -8.030 628 HD2 HIS 107 HD2 HIS 107 -1.074 -3.353 -8.942 629 HE1 HIS 107 HE1 HIS 107 2.853 -2.647 -10.379 630 HE2 HIS 107 HE2 HIS 107 0.519 -3.387 -10.982 631 H LEU 108 H LEU 108 -0.721 -5.444 -4.934 632 HA LEU 108 HA LEU 108 1.600 -5.831 -3.452 633 1HB LEU 108 1HB LEU 108 -0.076 -7.960 -4.777 634 2HB LEU 108 2HB LEU 108 1.042 -8.204 -3.451 635 HG LEU 108 HG LEU 108 -0.630 -6.327 -2.399 636 1HD1 LEU 108 1HD1 LEU 108 -2.130 -6.380 -4.301 637 2HD1 LEU 108 2HD1 LEU 108 -2.917 -7.070 -2.881 638 3HD1 LEU 108 3HD1 LEU 108 -2.295 -8.129 -4.145 639 1HD2 LEU 108 1HD2 LEU 108 -0.936 -9.324 -2.294 640 2HD2 LEU 108 2HD2 LEU 108 -1.594 -8.180 -1.125 641 3HD2 LEU 108 3HD2 LEU 108 0.153 -8.356 -1.300 642 H ARG 109 H ARG 109 3.405 -7.099 -3.804 643 HA ARG 109 HA ARG 109 4.651 -6.861 -6.331 644 1HB ARG 109 1HB ARG 109 5.798 -6.980 -4.091 645 2HB ARG 109 2HB ARG 109 5.423 -8.696 -4.059 646 1HG ARG 109 1HG ARG 109 6.749 -9.010 -6.097 647 2HG ARG 109 2HG ARG 109 7.155 -7.291 -6.077 648 1HD ARG 109 1HD ARG 109 8.146 -7.588 -3.832 649 2HD ARG 109 2HD ARG 109 7.821 -9.317 -3.948 650 HE ARG 109 HE ARG 109 9.562 -7.951 -5.890 651 1HH1 ARG 109 1HH1 ARG 109 9.008 -10.457 -3.512 652 2HH1 ARG 109 2HH1 ARG 109 10.518 -11.264 -3.819 653 1HH2 ARG 109 1HH2 ARG 109 11.539 -8.971 -6.298 654 2HH2 ARG 109 2HH2 ARG 109 11.962 -10.419 -5.429 655 H VAL 110 H VAL 110 3.676 -7.886 -7.983 656 HA VAL 110 HA VAL 110 2.263 -10.307 -7.801 657 HB VAL 110 HB VAL 110 1.867 -8.628 -9.551 658 1HG1 VAL 110 1HG1 VAL 110 4.165 -7.990 -10.021 659 2HG1 VAL 110 2HG1 VAL 110 3.327 -8.468 -11.498 660 3HG1 VAL 110 3HG1 VAL 110 4.471 -9.575 -10.734 661 1HG2 VAL 110 1HG2 VAL 110 1.557 -10.175 -11.434 662 2HG2 VAL 110 2HG2 VAL 110 1.048 -10.881 -9.902 663 3HG2 VAL 110 3HG2 VAL 110 2.586 -11.354 -10.622 664 H ARG 111 H ARG 111 2.743 -12.381 -8.503 665 HA ARG 111 HA ARG 111 5.572 -12.987 -8.961 666 1HB ARG 111 1HB ARG 111 5.086 -13.341 -6.572 667 2HB ARG 111 2HB ARG 111 3.772 -14.427 -7.002 668 1HG ARG 111 1HG ARG 111 5.320 -16.006 -7.945 669 2HG ARG 111 2HG ARG 111 6.666 -14.889 -7.689 670 1HD ARG 111 1HD ARG 111 6.371 -15.028 -5.297 671 2HD ARG 111 2HD ARG 111 4.940 -16.038 -5.503 672 HE ARG 111 HE ARG 111 6.890 -17.436 -6.773 673 1HH1 ARG 111 1HH1 ARG 111 6.637 -16.020 -3.566 674 2HH1 ARG 111 2HH1 ARG 111 7.602 -17.258 -2.813 675 1HH2 ARG 111 1HH2 ARG 111 8.163 -19.057 -5.760 676 2HH2 ARG 111 2HH2 ARG 111 8.482 -18.956 -4.057 677 H ASP 112 H ASP 112 5.970 -14.760 -10.235 678 HA ASP 112 HA ASP 112 5.655 -16.275 -11.874 679 1HB ASP 112 1HB ASP 112 2.934 -16.643 -10.610 680 2HB ASP 112 2HB ASP 112 3.532 -17.607 -11.957 681 H SER 113 H SER 113 5.882 -14.554 -13.313 682 HA SER 113 HA SER 113 3.394 -13.711 -14.644 683 1HB SER 113 1HB SER 113 6.164 -12.516 -14.931 684 2HB SER 113 2HB SER 113 4.648 -11.846 -15.537 685 HG SER 113 HG SER 113 4.501 -12.337 -12.886 686 H VAL 114 H VAL 114 3.058 -15.522 -15.900 687 HA VAL 114 HA VAL 114 5.247 -16.517 -17.534 688 HB VAL 114 HB VAL 114 3.740 -18.342 -18.158 689 1HG1 VAL 114 1HG1 VAL 114 3.547 -19.392 -15.951 690 2HG1 VAL 114 2HG1 VAL 114 3.827 -17.826 -15.190 691 3HG1 VAL 114 3HG1 VAL 114 5.097 -18.575 -16.157 692 1HG2 VAL 114 1HG2 VAL 114 1.544 -18.574 -17.071 693 2HG2 VAL 114 2HG2 VAL 114 1.614 -17.178 -18.148 694 3HG2 VAL 114 3HG2 VAL 114 1.722 -16.952 -16.401 695 H ALA 115 H ALA 115 5.474 -16.158 -19.638 696 HA ALA 115 HA ALA 115 3.597 -14.434 -20.999 697 1HB ALA 115 1HB ALA 115 6.131 -15.720 -22.018 698 2HB ALA 115 2HB ALA 115 6.006 -14.110 -21.310 699 3HB ALA 115 3HB ALA 115 5.200 -14.465 -22.836 700 H SER 116 H SER 116 1.739 -15.507 -21.443 701 HA SER 116 HA SER 116 1.975 -18.000 -22.995 702 1HB SER 116 1HB SER 116 0.940 -18.301 -20.752 703 2HB SER 116 2HB SER 116 -0.320 -17.156 -21.207 704 HG SER 116 HG SER 116 0.078 -19.795 -21.990 705 H VAL 117 H VAL 117 1.826 -17.312 -25.045 706 HA VAL 117 HA VAL 117 -0.408 -15.527 -25.756 707 HB VAL 117 HB VAL 117 2.099 -16.084 -27.351 708 1HG1 VAL 117 1HG1 VAL 117 0.170 -15.517 -28.742 709 2HG1 VAL 117 2HG1 VAL 117 1.373 -14.228 -28.760 710 3HG1 VAL 117 3HG1 VAL 117 -0.090 -14.052 -27.789 711 1HG2 VAL 117 1HG2 VAL 117 2.611 -14.822 -25.329 712 2HG2 VAL 117 2HG2 VAL 117 1.359 -13.648 -25.736 713 3HG2 VAL 117 3HG2 VAL 117 2.781 -13.813 -26.764 714 H LEU 118 H LEU 118 -2.094 -16.634 -26.508 715 HA LEU 118 HA LEU 118 -1.680 -19.257 -27.698 716 1HB LEU 118 1HB LEU 118 -4.206 -17.763 -27.006 717 2HB LEU 118 2HB LEU 118 -4.163 -19.387 -27.665 718 HG LEU 118 HG LEU 118 -3.056 -18.529 -24.990 719 1HD1 LEU 118 1HD1 LEU 118 -4.840 -19.944 -24.082 720 2HD1 LEU 118 2HD1 LEU 118 -5.442 -20.221 -25.716 721 3HD1 LEU 118 3HD1 LEU 118 -5.483 -18.599 -25.025 722 1HD2 LEU 118 1HD2 LEU 118 -1.706 -20.299 -25.974 723 2HD2 LEU 118 2HD2 LEU 118 -3.157 -21.254 -26.278 724 3HD2 LEU 118 3HD2 LEU 118 -2.656 -20.917 -24.622 725 H GLY 119 H GLY 119 -3.710 -16.456 -28.588 726 1HA GLY 119 1HA GLY 119 -3.529 -15.299 -30.651 727 2HA GLY 119 2HA GLY 119 -2.683 -16.686 -31.321 728 H ASP 120 H ASP 120 -5.750 -15.281 -30.561 729 HA ASP 120 HA ASP 120 -7.745 -15.434 -31.617 730 1HB ASP 120 1HB ASP 120 -6.264 -17.373 -33.376 731 2HB ASP 120 2HB ASP 120 -7.991 -17.095 -33.556 732 H THR 121 H THR 121 -9.641 -16.589 -31.542 733 HA THR 121 HA THR 121 -9.504 -19.178 -30.145 734 HB THR 121 HB THR 121 -11.892 -18.450 -29.379 735 HG1 THR 121 HG1 THR 121 -11.970 -16.504 -30.573 736 1HG2 THR 121 1HG2 THR 121 -10.955 -17.457 -27.351 737 2HG2 THR 121 2HG2 THR 121 -9.413 -17.218 -28.173 738 3HG2 THR 121 3HG2 THR 121 -10.006 -18.852 -27.868 739 H LEU 122 H LEU 122 -9.821 -20.623 -31.726 740 HA LEU 122 HA LEU 122 -11.967 -20.094 -33.676 741 1HB LEU 122 1HB LEU 122 -9.515 -21.830 -33.984 742 2HB LEU 122 2HB LEU 122 -10.756 -21.602 -35.199 743 HG LEU 122 HG LEU 122 -8.933 -19.432 -34.152 744 1HD1 LEU 122 1HD1 LEU 122 -7.879 -19.555 -36.355 745 2HD1 LEU 122 2HD1 LEU 122 -8.918 -20.916 -36.777 746 3HD1 LEU 122 3HD1 LEU 122 -7.727 -21.084 -35.485 747 1HD2 LEU 122 1HD2 LEU 122 -9.850 -18.096 -35.971 748 2HD2 LEU 122 2HD2 LEU 122 -11.124 -18.600 -34.860 749 3HD2 LEU 122 3HD2 LEU 122 -10.930 -19.419 -36.411 750 HA PRO 123 HA PRO 123 -13.569 -23.791 -31.628 751 1HB PRO 123 1HB PRO 123 -16.134 -23.058 -31.586 752 2HB PRO 123 2HB PRO 123 -14.964 -22.360 -30.459 753 1HG PRO 123 1HG PRO 123 -16.189 -21.176 -32.896 754 2HG PRO 123 2HG PRO 123 -15.691 -20.387 -31.391 755 1HD PRO 123 1HD PRO 123 -14.237 -20.482 -33.812 756 2HD PRO 123 2HD PRO 123 -13.639 -19.932 -32.235 757 H PHE 124 H PHE 124 -15.052 -25.451 -32.337 758 HA PHE 124 HA PHE 124 -15.675 -25.319 -35.215 759 1HB PHE 124 1HB PHE 124 -14.855 -27.657 -33.500 760 2HB PHE 124 2HB PHE 124 -15.626 -27.872 -35.069 761 HD1 PHE 124 HD1 PHE 124 -12.569 -27.079 -33.316 762 HD2 PHE 124 HD2 PHE 124 -14.490 -27.063 -37.110 763 HE1 PHE 124 HE1 PHE 124 -10.380 -26.870 -34.417 764 HE2 PHE 124 HE2 PHE 124 -12.306 -26.854 -38.224 765 HZ PHE 124 HZ PHE 124 -10.248 -26.754 -36.874 766 H ALA 125 H ALA 125 -17.535 -26.796 -35.818 767 HA ALA 125 HA ALA 125 -19.662 -26.451 -33.812 768 1HB ALA 125 1HB ALA 125 -19.897 -26.396 -36.819 769 2HB ALA 125 2HB ALA 125 -19.955 -24.995 -35.749 770 3HB ALA 125 3HB ALA 125 -21.228 -26.217 -35.679 Start of MODEL 8 1 H GLN 23 H GLN 23 -0.433 -12.659 -2.266 2 HA GLN 23 HA GLN 23 -2.306 -12.139 -0.232 3 1HB GLN 23 1HB GLN 23 -0.490 -12.630 1.327 4 2HB GLN 23 2HB GLN 23 -0.512 -13.795 0.011 5 1HG GLN 23 1HG GLN 23 1.318 -12.572 -1.078 6 2HG GLN 23 2HG GLN 23 1.354 -11.448 0.279 7 1HE2 GLN 23 1HE2 GLN 23 3.480 -11.975 0.780 8 2HE2 GLN 23 2HE2 GLN 23 3.900 -13.486 1.520 9 HA PRO 24 HA PRO 24 -1.680 -7.844 0.679 10 1HB PRO 24 1HB PRO 24 -2.205 -8.397 3.497 11 2HB PRO 24 2HB PRO 24 -3.209 -7.534 2.331 12 1HG PRO 24 1HG PRO 24 -3.892 -9.950 3.327 13 2HG PRO 24 2HG PRO 24 -4.326 -9.436 1.685 14 1HD PRO 24 1HD PRO 24 -2.101 -11.231 2.585 15 2HD PRO 24 2HD PRO 24 -3.199 -11.409 1.199 16 H ASP 25 H ASP 25 -0.492 -6.402 2.269 17 HA ASP 25 HA ASP 25 1.635 -7.432 3.824 18 1HB ASP 25 1HB ASP 25 2.435 -8.140 1.552 19 2HB ASP 25 2HB ASP 25 2.505 -6.438 1.106 20 H GLY 26 H GLY 26 0.598 -4.856 1.693 21 1HA GLY 26 1HA GLY 26 0.433 -2.861 3.590 22 2HA GLY 26 2HA GLY 26 2.072 -2.792 2.955 23 H VAL 27 H VAL 27 0.323 -0.691 2.642 24 HA VAL 27 HA VAL 27 -0.386 -0.848 -0.208 25 HB VAL 27 HB VAL 27 -1.819 1.110 0.164 26 1HG1 VAL 27 1HG1 VAL 27 -3.533 0.025 1.534 27 2HG1 VAL 27 2HG1 VAL 27 -2.334 -1.127 2.119 28 3HG1 VAL 27 3HG1 VAL 27 -2.782 -1.109 0.412 29 1HG2 VAL 27 1HG2 VAL 27 -2.258 1.937 2.425 30 2HG2 VAL 27 2HG2 VAL 27 -0.564 2.156 1.988 31 3HG2 VAL 27 3HG2 VAL 27 -1.034 0.845 3.069 32 H GLN 28 H GLN 28 0.275 0.841 -1.620 33 HA GLN 28 HA GLN 28 2.404 2.535 -0.479 34 1HB GLN 28 1HB GLN 28 3.461 2.496 -2.733 35 2HB GLN 28 2HB GLN 28 3.432 0.940 -1.932 36 1HG GLN 28 1HG GLN 28 2.886 0.414 -4.107 37 2HG GLN 28 2HG GLN 28 1.315 0.496 -3.319 38 1HE2 GLN 28 1HE2 GLN 28 3.256 3.274 -4.252 39 2HE2 GLN 28 2HE2 GLN 28 2.170 3.856 -5.455 40 H ILE 29 H ILE 29 2.757 4.593 -1.718 41 HA ILE 29 HA ILE 29 0.204 5.921 -1.929 42 HB ILE 29 HB ILE 29 2.979 7.036 -2.362 43 1HG1 ILE 29 1HG1 ILE 29 1.190 7.081 0.081 44 2HG1 ILE 29 2HG1 ILE 29 2.671 6.143 -0.094 45 1HG2 ILE 29 1HG2 ILE 29 1.931 9.222 -2.045 46 2HG2 ILE 29 2HG2 ILE 29 0.353 8.452 -1.893 47 3HG2 ILE 29 3HG2 ILE 29 1.227 8.377 -3.424 48 1HD1 ILE 29 1HD1 ILE 29 2.451 9.145 -0.041 49 2HD1 ILE 29 2HD1 ILE 29 3.942 8.232 -0.274 50 3HD1 ILE 29 3HD1 ILE 29 3.062 8.106 1.247 51 H ASP 30 H ASP 30 -0.907 5.722 -3.694 52 HA ASP 30 HA ASP 30 0.107 4.874 -6.196 53 1HB ASP 30 1HB ASP 30 -2.200 4.445 -5.390 54 2HB ASP 30 2HB ASP 30 -2.551 6.159 -5.532 55 H SER 31 H SER 31 -1.678 7.865 -5.533 56 HA SER 31 HA SER 31 0.280 9.407 -7.016 57 1HB SER 31 1HB SER 31 -1.699 10.390 -8.385 58 2HB SER 31 2HB SER 31 -1.026 8.834 -8.872 59 HG SER 31 HG SER 31 -2.747 7.789 -7.995 60 H VAL 32 H VAL 32 0.268 11.566 -6.542 61 HA VAL 32 HA VAL 32 -1.311 12.359 -4.221 62 HB VAL 32 HB VAL 32 1.068 13.679 -5.549 63 1HG1 VAL 32 1HG1 VAL 32 -0.411 14.445 -3.029 64 2HG1 VAL 32 2HG1 VAL 32 -0.349 15.368 -4.529 65 3HG1 VAL 32 3HG1 VAL 32 1.112 15.151 -3.567 66 1HG2 VAL 32 1HG2 VAL 32 0.826 12.182 -2.943 67 2HG2 VAL 32 2HG2 VAL 32 2.275 13.005 -3.522 68 3HG2 VAL 32 3HG2 VAL 32 1.638 11.616 -4.403 69 H VAL 33 H VAL 33 -3.013 13.687 -4.395 70 HA VAL 33 HA VAL 33 -3.413 15.103 -6.946 71 HB VAL 33 HB VAL 33 -5.493 14.323 -4.889 72 1HG1 VAL 33 1HG1 VAL 33 -7.110 14.928 -6.638 73 2HG1 VAL 33 2HG1 VAL 33 -5.782 15.488 -7.656 74 3HG1 VAL 33 3HG1 VAL 33 -6.130 16.303 -6.131 75 1HG2 VAL 33 1HG2 VAL 33 -4.863 13.072 -7.565 76 2HG2 VAL 33 2HG2 VAL 33 -6.214 12.640 -6.516 77 3HG2 VAL 33 3HG2 VAL 33 -4.558 12.353 -5.984 78 HA PRO 34 HA PRO 34 -2.629 18.889 -4.686 79 1HB PRO 34 1HB PRO 34 -4.018 20.048 -7.038 80 2HB PRO 34 2HB PRO 34 -2.430 20.437 -6.363 81 1HG PRO 34 1HG PRO 34 -2.648 19.053 -8.631 82 2HG PRO 34 2HG PRO 34 -1.397 18.656 -7.438 83 1HD PRO 34 1HD PRO 34 -3.995 17.278 -7.994 84 2HD PRO 34 2HD PRO 34 -2.405 16.578 -7.621 85 H GLY 35 H GLY 35 -3.853 20.528 -3.661 86 1HA GLY 35 1HA GLY 35 -5.951 21.554 -3.090 87 2HA GLY 35 2HA GLY 35 -6.775 20.118 -3.689 88 H SER 36 H SER 36 -4.047 19.247 -2.044 89 HA SER 36 HA SER 36 -5.457 18.953 0.512 90 1HB SER 36 1HB SER 36 -4.453 16.668 0.679 91 2HB SER 36 2HB SER 36 -5.605 16.821 -0.647 92 HG SER 36 HG SER 36 -3.999 16.716 -2.095 93 HA PRO 37 HA PRO 37 -1.655 20.347 2.366 94 1HB PRO 37 1HB PRO 37 -1.891 18.283 4.443 95 2HB PRO 37 2HB PRO 37 -1.954 20.039 4.602 96 1HG PRO 37 1HG PRO 37 -4.137 18.498 4.912 97 2HG PRO 37 2HG PRO 37 -4.227 20.126 4.213 98 1HD PRO 37 1HD PRO 37 -4.274 17.464 2.844 99 2HD PRO 37 2HD PRO 37 -5.217 18.929 2.495 100 H ALA 38 H ALA 38 -2.162 16.990 1.635 101 HA ALA 38 HA ALA 38 0.481 16.085 2.225 102 1HB ALA 38 1HB ALA 38 -1.476 14.587 2.230 103 2HB ALA 38 2HB ALA 38 -0.187 14.012 1.172 104 3HB ALA 38 3HB ALA 38 -1.612 14.789 0.483 105 H SER 39 H SER 39 -0.897 17.809 -0.381 106 HA SER 39 HA SER 39 0.686 16.866 -2.518 107 1HB SER 39 1HB SER 39 -0.427 19.656 -2.171 108 2HB SER 39 2HB SER 39 -0.019 18.852 -3.686 109 HG SER 39 HG SER 39 -1.714 17.271 -2.438 110 H LYS 40 H LYS 40 1.471 18.713 0.217 111 HA LYS 40 HA LYS 40 3.941 19.698 -1.054 112 1HB LYS 40 1HB LYS 40 2.281 21.435 -0.244 113 2HB LYS 40 2HB LYS 40 2.581 20.857 1.386 114 1HG LYS 40 1HG LYS 40 4.936 21.481 1.177 115 2HG LYS 40 2HG LYS 40 4.629 22.073 -0.459 116 1HD LYS 40 1HD LYS 40 4.622 23.936 1.079 117 2HD LYS 40 2HD LYS 40 2.986 23.670 0.477 118 1HE LYS 40 1HE LYS 40 2.507 22.371 2.551 119 2HE LYS 40 2HE LYS 40 4.093 22.846 3.157 120 1HZ LYS 40 1HZ LYS 40 1.823 24.633 2.495 121 2HZ LYS 40 2HZ LYS 40 3.380 25.188 2.873 122 3HZ LYS 40 3HZ LYS 40 2.480 24.340 4.028 123 H VAL 41 H VAL 41 3.024 17.174 0.560 124 HA VAL 41 HA VAL 41 5.296 17.219 2.435 125 HB VAL 41 HB VAL 41 2.636 15.871 2.940 126 1HG1 VAL 41 1HG1 VAL 41 5.114 16.040 4.655 127 2HG1 VAL 41 2HG1 VAL 41 4.470 14.592 3.877 128 3HG1 VAL 41 3HG1 VAL 41 3.560 15.381 5.169 129 1HG2 VAL 41 1HG2 VAL 41 3.877 18.282 4.267 130 2HG2 VAL 41 2HG2 VAL 41 2.380 17.491 4.766 131 3HG2 VAL 41 3HG2 VAL 41 2.476 18.288 3.196 132 H LEU 42 H LEU 42 3.093 15.123 0.563 133 HA LEU 42 HA LEU 42 5.156 13.027 0.671 134 1HB LEU 42 1HB LEU 42 2.219 12.781 0.053 135 2HB LEU 42 2HB LEU 42 3.359 11.455 0.105 136 HG LEU 42 HG LEU 42 2.589 13.171 2.464 137 1HD1 LEU 42 1HD1 LEU 42 1.397 11.199 3.251 138 2HD1 LEU 42 2HD1 LEU 42 1.825 10.336 1.773 139 3HD1 LEU 42 3HD1 LEU 42 0.760 11.738 1.699 140 1HD2 LEU 42 1HD2 LEU 42 4.299 10.689 2.282 141 2HD2 LEU 42 2HD2 LEU 42 3.805 11.488 3.775 142 3HD2 LEU 42 3HD2 LEU 42 4.864 12.323 2.639 143 H THR 43 H THR 43 5.413 11.706 -1.210 144 HA THR 43 HA THR 43 4.746 13.024 -3.746 145 HB THR 43 HB THR 43 6.941 12.003 -4.578 146 HG1 THR 43 HG1 THR 43 7.462 10.666 -2.865 147 1HG2 THR 43 1HG2 THR 43 7.092 14.222 -2.535 148 2HG2 THR 43 2HG2 THR 43 6.645 14.412 -4.231 149 3HG2 THR 43 3HG2 THR 43 8.276 13.898 -3.801 150 HA PRO 44 HA PRO 44 2.961 9.132 -4.761 151 1HB PRO 44 1HB PRO 44 3.094 9.184 -7.468 152 2HB PRO 44 2HB PRO 44 1.961 10.173 -6.542 153 1HG PRO 44 1HG PRO 44 4.575 10.936 -7.772 154 2HG PRO 44 2HG PRO 44 3.053 11.844 -7.722 155 1HD PRO 44 1HD PRO 44 5.144 12.344 -6.052 156 2HD PRO 44 2HD PRO 44 3.453 12.634 -5.600 157 H GLY 45 H GLY 45 3.490 7.023 -5.326 158 1HA GLY 45 1HA GLY 45 4.859 5.371 -6.355 159 2HA GLY 45 2HA GLY 45 6.157 6.548 -6.463 160 H LEU 46 H LEU 46 5.288 7.162 -3.499 161 HA LEU 46 HA LEU 46 7.354 5.565 -2.333 162 1HB LEU 46 1HB LEU 46 5.310 7.387 -1.071 163 2HB LEU 46 2HB LEU 46 6.609 6.609 -0.189 164 HG LEU 46 HG LEU 46 6.937 8.647 -2.393 165 1HD1 LEU 46 1HD1 LEU 46 7.788 10.080 -0.612 166 2HD1 LEU 46 2HD1 LEU 46 7.442 8.822 0.574 167 3HD1 LEU 46 3HD1 LEU 46 6.122 9.597 -0.302 168 1HD2 LEU 46 1HD2 LEU 46 9.014 7.270 -0.690 169 2HD2 LEU 46 2HD2 LEU 46 9.315 8.567 -1.846 170 3HD2 LEU 46 3HD2 LEU 46 8.742 6.999 -2.412 171 H VAL 47 H VAL 47 6.982 4.263 -0.336 172 HA VAL 47 HA VAL 47 4.498 2.695 -0.585 173 HB VAL 47 HB VAL 47 7.176 1.721 0.452 174 1HG1 VAL 47 1HG1 VAL 47 5.291 0.533 1.425 175 2HG1 VAL 47 2HG1 VAL 47 6.166 -0.511 0.303 176 3HG1 VAL 47 3HG1 VAL 47 4.635 0.222 -0.184 177 1HG2 VAL 47 1HG2 VAL 47 7.335 0.435 -1.631 178 2HG2 VAL 47 2HG2 VAL 47 7.323 2.173 -1.934 179 3HG2 VAL 47 3HG2 VAL 47 5.868 1.217 -2.221 180 H ILE 48 H ILE 48 3.342 2.258 1.282 181 HA ILE 48 HA ILE 48 4.126 3.815 3.637 182 HB ILE 48 HB ILE 48 1.464 2.558 2.940 183 1HG1 ILE 48 1HG1 ILE 48 2.357 5.450 2.936 184 2HG1 ILE 48 2HG1 ILE 48 2.045 4.471 1.509 185 1HG2 ILE 48 1HG2 ILE 48 1.799 2.650 5.348 186 2HG2 ILE 48 2HG2 ILE 48 0.587 3.830 4.849 187 3HG2 ILE 48 3HG2 ILE 48 2.223 4.359 5.239 188 1HD1 ILE 48 1HD1 ILE 48 -0.304 4.281 2.155 189 2HD1 ILE 48 2HD1 ILE 48 0.194 5.962 1.958 190 3HD1 ILE 48 3HD1 ILE 48 0.013 5.279 3.574 191 H GLU 49 H GLU 49 4.855 2.859 5.387 192 HA GLU 49 HA GLU 49 4.876 -0.047 5.524 193 1HB GLU 49 1HB GLU 49 6.763 1.851 6.116 194 2HB GLU 49 2HB GLU 49 6.124 1.476 7.709 195 1HG GLU 49 1HG GLU 49 7.169 -0.575 5.772 196 2HG GLU 49 2HG GLU 49 8.115 0.148 7.071 197 H SER 50 H SER 50 3.759 2.757 7.397 198 HA SER 50 HA SER 50 1.609 1.188 8.468 199 1HB SER 50 1HB SER 50 2.193 1.683 10.860 200 2HB SER 50 2HB SER 50 3.267 0.524 10.084 201 HG SER 50 HG SER 50 4.375 2.156 11.311 202 H ILE 51 H ILE 51 0.020 2.431 9.483 203 HA ILE 51 HA ILE 51 0.475 5.330 9.401 204 HB ILE 51 HB ILE 51 -1.019 4.461 7.490 205 1HG1 ILE 51 1HG1 ILE 51 -2.119 6.556 9.372 206 2HG1 ILE 51 2HG1 ILE 51 -0.832 6.817 8.197 207 1HG2 ILE 51 1HG2 ILE 51 -3.391 4.165 8.056 208 2HG2 ILE 51 2HG2 ILE 51 -2.978 4.219 9.772 209 3HG2 ILE 51 3HG2 ILE 51 -2.380 2.900 8.758 210 1HD1 ILE 51 1HD1 ILE 51 -2.956 7.663 7.383 211 2HD1 ILE 51 2HD1 ILE 51 -3.678 6.063 7.566 212 3HD1 ILE 51 3HD1 ILE 51 -2.393 6.322 6.385 213 H ASN 52 H ASN 52 0.142 6.269 11.291 214 HA ASN 52 HA ASN 52 -0.377 6.524 13.502 215 1HB ASN 52 1HB ASN 52 -2.717 6.244 12.243 216 2HB ASN 52 2HB ASN 52 -2.782 4.777 13.210 217 1HD2 ASN 52 1HD2 ASN 52 -2.808 8.225 13.237 218 2HD2 ASN 52 2HD2 ASN 52 -3.317 8.413 14.874 219 H GLY 53 H GLY 53 -1.822 4.511 15.147 220 1HA GLY 53 1HA GLY 53 0.429 2.774 15.657 221 2HA GLY 53 2HA GLY 53 -1.065 2.847 16.577 222 H MET 54 H MET 54 -1.577 2.493 13.213 223 HA MET 54 HA MET 54 -1.949 -0.411 13.547 224 1HB MET 54 1HB MET 54 -3.728 1.383 11.894 225 2HB MET 54 2HB MET 54 -3.974 -0.313 12.261 226 1HG MET 54 1HG MET 54 -5.463 0.733 13.662 227 2HG MET 54 2HG MET 54 -4.078 0.464 14.714 228 1HE MET 54 1HE MET 54 -5.168 4.531 12.815 229 2HE MET 54 2HE MET 54 -6.149 3.074 12.655 230 3HE MET 54 3HE MET 54 -4.568 3.163 11.878 231 HA PRO 55 HA PRO 55 0.617 -0.211 9.804 232 1HB PRO 55 1HB PRO 55 1.284 -2.840 9.842 233 2HB PRO 55 2HB PRO 55 2.144 -1.608 10.763 234 1HG PRO 55 1HG PRO 55 0.091 -3.570 11.678 235 2HG PRO 55 2HG PRO 55 1.551 -3.006 12.509 236 1HD PRO 55 1HD PRO 55 -0.959 -2.087 13.079 237 2HD PRO 55 2HD PRO 55 0.515 -1.128 13.316 238 H THR 56 H THR 56 -0.375 -0.259 7.918 239 HA THR 56 HA THR 56 -2.746 -1.940 7.616 240 HB THR 56 HB THR 56 -3.181 -0.414 5.631 241 HG1 THR 56 HG1 THR 56 -1.019 0.384 5.450 242 1HG2 THR 56 1HG2 THR 56 -4.320 -0.156 7.786 243 2HG2 THR 56 2HG2 THR 56 -3.995 1.413 7.048 244 3HG2 THR 56 3HG2 THR 56 -2.988 0.836 8.377 245 H SER 57 H SER 57 -2.380 -3.836 6.695 246 HA SER 57 HA SER 57 -0.368 -4.077 4.588 247 1HB SER 57 1HB SER 57 -1.955 -6.262 5.965 248 2HB SER 57 2HB SER 57 -0.527 -6.467 4.951 249 HG SER 57 HG SER 57 0.544 -6.300 6.743 250 H ASN 58 H ASN 58 -3.766 -3.863 4.997 251 HA ASN 58 HA ASN 58 -4.189 -4.883 2.261 252 1HB ASN 58 1HB ASN 58 -6.340 -4.542 4.362 253 2HB ASN 58 2HB ASN 58 -6.441 -5.443 2.856 254 1HD2 ASN 58 1HD2 ASN 58 -5.836 -7.523 2.817 255 2HD2 ASN 58 2HD2 ASN 58 -5.292 -8.404 4.211 256 H LEU 59 H LEU 59 -5.953 -3.705 1.064 257 HA LEU 59 HA LEU 59 -5.842 -0.872 1.400 258 1HB LEU 59 1HB LEU 59 -7.381 -2.751 -0.368 259 2HB LEU 59 2HB LEU 59 -7.711 -1.041 -0.361 260 HG LEU 59 HG LEU 59 -5.061 -2.294 -1.055 261 1HD1 LEU 59 1HD1 LEU 59 -7.175 -1.040 -2.801 262 2HD1 LEU 59 2HD1 LEU 59 -6.729 -2.746 -2.753 263 3HD1 LEU 59 3HD1 LEU 59 -5.574 -1.549 -3.336 264 1HD2 LEU 59 1HD2 LEU 59 -4.426 -0.054 -1.773 265 2HD2 LEU 59 2HD2 LEU 59 -4.821 -0.082 -0.054 266 3HD2 LEU 59 3HD2 LEU 59 -5.976 0.573 -1.215 267 H THR 60 H THR 60 -8.047 -3.453 2.238 268 HA THR 60 HA THR 60 -10.256 -1.797 2.937 269 HB THR 60 HB THR 60 -9.735 -4.605 3.928 270 HG1 THR 60 HG1 THR 60 -10.795 -3.706 1.423 271 1HG2 THR 60 1HG2 THR 60 -12.177 -4.768 3.881 272 2HG2 THR 60 2HG2 THR 60 -12.283 -3.108 3.297 273 3HG2 THR 60 3HG2 THR 60 -11.658 -3.435 4.913 274 H THR 61 H THR 61 -7.626 -3.309 4.818 275 HA THR 61 HA THR 61 -8.593 -2.436 7.334 276 HB THR 61 HB THR 61 -6.098 -2.730 8.001 277 HG1 THR 61 HG1 THR 61 -5.445 -4.441 6.169 278 1HG2 THR 61 1HG2 THR 61 -7.859 -4.338 8.532 279 2HG2 THR 61 2HG2 THR 61 -6.370 -5.166 8.070 280 3HG2 THR 61 3HG2 THR 61 -7.706 -5.048 6.923 281 H TYR 62 H TYR 62 -6.541 -0.995 4.886 282 HA TYR 62 HA TYR 62 -5.801 1.316 6.342 283 1HB TYR 62 1HB TYR 62 -4.779 0.532 4.171 284 2HB TYR 62 2HB TYR 62 -6.227 1.101 3.352 285 HD1 TYR 62 HD1 TYR 62 -3.230 2.129 5.216 286 HD2 TYR 62 HD2 TYR 62 -6.577 3.439 2.946 287 HE1 TYR 62 HE1 TYR 62 -2.219 4.360 5.028 288 HE2 TYR 62 HE2 TYR 62 -5.578 5.679 2.753 289 HH TYR 62 HH TYR 62 -3.939 7.081 3.948 290 H SER 63 H SER 63 -8.547 0.492 4.302 291 HA SER 63 HA SER 63 -9.847 2.962 4.279 292 1HB SER 63 1HB SER 63 -10.811 0.140 4.011 293 2HB SER 63 2HB SER 63 -11.828 1.525 3.721 294 HG SER 63 HG SER 63 -9.451 0.821 2.338 295 H ALA 64 H ALA 64 -10.257 0.138 6.379 296 HA ALA 64 HA ALA 64 -12.263 1.205 8.030 297 1HB ALA 64 1HB ALA 64 -10.144 -0.826 8.739 298 2HB ALA 64 2HB ALA 64 -11.700 -1.182 7.989 299 3HB ALA 64 3HB ALA 64 -11.639 -0.532 9.627 300 H ALA 65 H ALA 65 -8.764 1.466 8.121 301 HA ALA 65 HA ALA 65 -8.590 2.703 10.671 302 1HB ALA 65 1HB ALA 65 -6.663 1.636 9.618 303 2HB ALA 65 2HB ALA 65 -6.317 3.321 10.003 304 3HB ALA 65 3HB ALA 65 -6.677 2.852 8.341 305 H LEU 66 H LEU 66 -8.816 3.944 7.376 306 HA LEU 66 HA LEU 66 -8.584 6.667 7.937 307 1HB LEU 66 1HB LEU 66 -9.475 4.956 5.735 308 2HB LEU 66 2HB LEU 66 -10.228 6.526 5.765 309 HG LEU 66 HG LEU 66 -7.263 5.987 5.653 310 1HD1 LEU 66 1HD1 LEU 66 -7.409 6.944 3.413 311 2HD1 LEU 66 2HD1 LEU 66 -9.155 7.115 3.595 312 3HD1 LEU 66 3HD1 LEU 66 -8.425 5.508 3.558 313 1HD2 LEU 66 1HD2 LEU 66 -7.740 8.005 6.930 314 2HD2 LEU 66 2HD2 LEU 66 -8.774 8.597 5.630 315 3HD2 LEU 66 3HD2 LEU 66 -7.041 8.411 5.362 316 H LYS 67 H LYS 67 -11.313 4.468 8.049 317 HA LYS 67 HA LYS 67 -13.397 6.325 8.233 318 1HB LYS 67 1HB LYS 67 -13.687 3.874 7.900 319 2HB LYS 67 2HB LYS 67 -13.237 3.621 9.581 320 1HG LYS 67 1HG LYS 67 -15.185 5.026 10.241 321 2HG LYS 67 2HG LYS 67 -15.665 5.064 8.542 322 1HD LYS 67 1HD LYS 67 -15.312 2.562 10.192 323 2HD LYS 67 2HD LYS 67 -16.858 3.338 9.852 324 1HE LYS 67 1HE LYS 67 -16.557 2.951 7.475 325 2HE LYS 67 2HE LYS 67 -14.965 2.251 7.767 326 1HZ LYS 67 1HZ LYS 67 -16.017 0.481 9.040 327 2HZ LYS 67 2HZ LYS 67 -16.638 0.535 7.459 328 3HZ LYS 67 3HZ LYS 67 -17.548 1.154 8.751 329 H THR 68 H THR 68 -11.227 5.046 10.697 330 HA THR 68 HA THR 68 -12.648 6.351 12.836 331 HB THR 68 HB THR 68 -10.573 5.601 14.170 332 HG1 THR 68 HG1 THR 68 -9.560 5.067 11.921 333 1HG2 THR 68 1HG2 THR 68 -12.759 4.560 14.367 334 2HG2 THR 68 2HG2 THR 68 -11.498 3.326 14.360 335 3HG2 THR 68 3HG2 THR 68 -12.459 3.613 12.909 336 H ILE 69 H ILE 69 -10.361 7.379 10.588 337 HA ILE 69 HA ILE 69 -9.041 9.295 12.302 338 HB ILE 69 HB ILE 69 -9.074 9.166 9.278 339 1HG1 ILE 69 1HG1 ILE 69 -8.171 7.098 10.209 340 2HG1 ILE 69 2HG1 ILE 69 -6.880 8.055 9.493 341 1HG2 ILE 69 1HG2 ILE 69 -8.407 11.345 10.118 342 2HG2 ILE 69 2HG2 ILE 69 -7.019 10.503 9.429 343 3HG2 ILE 69 3HG2 ILE 69 -7.216 10.592 11.180 344 1HD1 ILE 69 1HD1 ILE 69 -6.180 7.058 11.588 345 2HD1 ILE 69 2HD1 ILE 69 -7.515 7.852 12.427 346 3HD1 ILE 69 3HD1 ILE 69 -6.222 8.816 11.716 347 H SER 70 H SER 70 -9.545 11.445 12.535 348 HA SER 70 HA SER 70 -12.101 12.299 11.366 349 1HB SER 70 1HB SER 70 -11.886 12.274 13.871 350 2HB SER 70 2HB SER 70 -10.639 13.509 13.730 351 HG SER 70 HG SER 70 -12.530 14.588 14.086 352 H VAL 71 H VAL 71 -12.110 14.873 11.272 353 HA VAL 71 HA VAL 71 -10.058 15.513 9.302 354 HB VAL 71 HB VAL 71 -12.520 17.095 10.063 355 1HG1 VAL 71 1HG1 VAL 71 -10.685 17.315 7.682 356 2HG1 VAL 71 2HG1 VAL 71 -10.806 18.459 9.019 357 3HG1 VAL 71 3HG1 VAL 71 -12.170 18.234 7.923 358 1HG2 VAL 71 1HG2 VAL 71 -13.148 14.915 9.183 359 2HG2 VAL 71 2HG2 VAL 71 -12.110 15.171 7.782 360 3HG2 VAL 71 3HG2 VAL 71 -13.529 16.188 8.023 361 H GLY 72 H GLY 72 -8.376 16.782 9.735 362 1HA GLY 72 1HA GLY 72 -7.410 18.788 10.583 363 2HA GLY 72 2HA GLY 72 -8.606 18.786 11.872 364 H GLU 73 H GLU 73 -7.611 15.693 11.581 365 HA GLU 73 HA GLU 73 -5.853 15.942 13.883 366 1HB GLU 73 1HB GLU 73 -7.741 14.287 13.826 367 2HB GLU 73 2HB GLU 73 -6.870 13.446 12.556 368 1HG GLU 73 1HG GLU 73 -5.102 12.862 14.006 369 2HG GLU 73 2HG GLU 73 -5.692 13.945 15.265 370 H VAL 74 H VAL 74 -3.767 15.091 13.939 371 HA VAL 74 HA VAL 74 -2.514 14.900 11.283 372 HB VAL 74 HB VAL 74 -1.160 15.541 13.915 373 1HG1 VAL 74 1HG1 VAL 74 0.703 16.280 12.491 374 2HG1 VAL 74 2HG1 VAL 74 -0.178 15.709 11.072 375 3HG1 VAL 74 3HG1 VAL 74 0.349 14.562 12.303 376 1HG2 VAL 74 1HG2 VAL 74 -2.008 17.413 11.707 377 2HG2 VAL 74 2HG2 VAL 74 -1.050 17.851 13.122 378 3HG2 VAL 74 3HG2 VAL 74 -2.717 17.315 13.320 379 H ILE 75 H ILE 75 -2.338 12.836 10.734 380 HA ILE 75 HA ILE 75 -1.843 10.837 12.805 381 HB ILE 75 HB ILE 75 -2.445 9.176 11.095 382 1HG1 ILE 75 1HG1 ILE 75 -2.837 11.615 9.338 383 2HG1 ILE 75 2HG1 ILE 75 -1.706 10.291 9.083 384 1HG2 ILE 75 1HG2 ILE 75 -4.424 11.422 11.458 385 2HG2 ILE 75 2HG2 ILE 75 -4.172 10.050 12.537 386 3HG2 ILE 75 3HG2 ILE 75 -4.831 9.793 10.921 387 1HD1 ILE 75 1HD1 ILE 75 -4.705 10.116 8.949 388 2HD1 ILE 75 2HD1 ILE 75 -3.593 8.764 8.749 389 3HD1 ILE 75 3HD1 ILE 75 -3.584 10.090 7.589 390 H ASN 76 H ASN 76 -0.288 9.192 12.494 391 HA ASN 76 HA ASN 76 2.164 10.198 11.301 392 1HB ASN 76 1HB ASN 76 2.383 9.421 13.550 393 2HB ASN 76 2HB ASN 76 1.526 7.928 13.190 394 1HD2 ASN 76 1HD2 ASN 76 2.612 6.241 12.225 395 2HD2 ASN 76 2HD2 ASN 76 4.329 6.214 12.056 396 H ILE 77 H ILE 77 3.174 9.292 9.571 397 HA ILE 77 HA ILE 77 2.159 6.729 8.525 398 HB ILE 77 HB ILE 77 2.704 9.164 6.802 399 1HG1 ILE 77 1HG1 ILE 77 0.089 7.779 7.439 400 2HG1 ILE 77 2HG1 ILE 77 0.586 9.352 8.052 401 1HG2 ILE 77 1HG2 ILE 77 1.861 7.761 4.967 402 2HG2 ILE 77 2HG2 ILE 77 1.737 6.399 6.081 403 3HG2 ILE 77 3HG2 ILE 77 3.316 7.086 5.701 404 1HD1 ILE 77 1HD1 ILE 77 0.130 8.673 5.157 405 2HD1 ILE 77 2HD1 ILE 77 0.553 10.257 5.807 406 3HD1 ILE 77 3HD1 ILE 77 -1.002 9.527 6.205 407 H THR 78 H THR 78 3.850 5.457 8.760 408 HA THR 78 HA THR 78 6.558 6.404 8.325 409 HB THR 78 HB THR 78 5.727 3.530 8.730 410 HG1 THR 78 HG1 THR 78 5.193 3.968 10.724 411 1HG2 THR 78 1HG2 THR 78 8.067 3.948 8.146 412 2HG2 THR 78 2HG2 THR 78 7.926 3.362 9.804 413 3HG2 THR 78 3HG2 THR 78 8.208 5.075 9.495 414 H THR 79 H THR 79 7.681 6.139 6.427 415 HA THR 79 HA THR 79 6.373 4.533 4.335 416 HB THR 79 HB THR 79 7.083 6.206 2.656 417 HG1 THR 79 HG1 THR 79 8.106 7.439 4.959 418 1HG2 THR 79 1HG2 THR 79 5.316 7.317 4.842 419 2HG2 THR 79 2HG2 THR 79 4.800 6.257 3.529 420 3HG2 THR 79 3HG2 THR 79 5.376 7.885 3.174 421 H ASP 80 H ASP 80 7.899 4.380 2.394 422 HA ASP 80 HA ASP 80 9.935 2.635 2.920 423 1HB ASP 80 1HB ASP 80 8.911 2.827 0.747 424 2HB ASP 80 2HB ASP 80 9.515 4.467 0.557 425 H GLN 81 H GLN 81 10.231 6.157 2.536 426 HA GLN 81 HA GLN 81 13.111 5.861 3.071 427 1HB GLN 81 1HB GLN 81 11.641 7.650 1.177 428 2HB GLN 81 2HB GLN 81 13.218 8.127 1.798 429 1HG GLN 81 1HG GLN 81 14.316 6.431 0.708 430 2HG GLN 81 2HG GLN 81 12.877 5.415 0.617 431 1HE2 GLN 81 1HE2 GLN 81 11.439 5.693 -1.016 432 2HE2 GLN 81 2HE2 GLN 81 11.763 6.668 -2.411 433 H GLY 82 H GLY 82 10.766 6.415 4.935 434 1HA GLY 82 1HA GLY 82 12.007 7.713 6.911 435 2HA GLY 82 2HA GLY 82 11.491 9.065 5.916 436 H THR 83 H THR 83 10.516 9.319 8.243 437 HA THR 83 HA THR 83 7.817 8.131 8.204 438 HB THR 83 HB THR 83 9.257 9.260 10.614 439 HG1 THR 83 HG1 THR 83 10.328 7.385 9.962 440 1HG2 THR 83 1HG2 THR 83 6.813 9.278 10.775 441 2HG2 THR 83 2HG2 THR 83 7.508 8.088 11.876 442 3HG2 THR 83 3HG2 THR 83 6.766 7.566 10.363 443 H PHE 84 H PHE 84 6.157 9.496 7.904 444 HA PHE 84 HA PHE 84 6.685 12.378 8.229 445 1HB PHE 84 1HB PHE 84 5.008 11.015 6.116 446 2HB PHE 84 2HB PHE 84 5.104 12.756 6.349 447 HD1 PHE 84 HD1 PHE 84 7.220 13.949 5.893 448 HD2 PHE 84 HD2 PHE 84 6.722 9.817 4.984 449 HE1 PHE 84 HE1 PHE 84 9.175 14.042 4.399 450 HE2 PHE 84 HE2 PHE 84 8.674 9.906 3.493 451 HZ PHE 84 HZ PHE 84 9.901 12.020 3.197 452 H HIS 85 H HIS 85 4.776 13.684 8.652 453 HA HIS 85 HA HIS 85 2.583 12.179 9.912 454 1HB HIS 85 1HB HIS 85 3.784 14.786 10.856 455 2HB HIS 85 2HB HIS 85 2.381 14.007 11.554 456 HD1 HIS 85 HD1 HIS 85 2.812 12.461 13.460 457 HD2 HIS 85 HD2 HIS 85 6.221 13.144 11.171 458 HE1 HIS 85 HE1 HIS 85 4.687 11.284 14.658 459 HE2 HIS 85 HE2 HIS 85 6.764 11.810 13.319 460 H LEU 86 H LEU 86 0.658 12.654 9.087 461 HA LEU 86 HA LEU 86 0.495 14.950 7.272 462 1HB LEU 86 1HB LEU 86 -0.439 12.147 7.094 463 2HB LEU 86 2HB LEU 86 -1.449 13.375 6.391 464 HG LEU 86 HG LEU 86 -0.045 12.446 4.678 465 1HD1 LEU 86 1HD1 LEU 86 0.920 15.184 5.476 466 2HD1 LEU 86 2HD1 LEU 86 -0.508 14.816 4.504 467 3HD1 LEU 86 3HD1 LEU 86 1.101 14.447 3.885 468 1HD2 LEU 86 1HD2 LEU 86 1.733 11.604 6.133 469 2HD2 LEU 86 2HD2 LEU 86 2.300 13.254 6.383 470 3HD2 LEU 86 3HD2 LEU 86 2.372 12.529 4.777 471 H LYS 87 H LYS 87 -1.226 16.262 7.360 472 HA LYS 87 HA LYS 87 -3.116 15.831 9.564 473 1HB LYS 87 1HB LYS 87 -1.802 17.914 9.684 474 2HB LYS 87 2HB LYS 87 -2.408 18.387 8.103 475 1HG LYS 87 1HG LYS 87 -4.669 18.511 8.979 476 2HG LYS 87 2HG LYS 87 -4.097 17.973 10.560 477 1HD LYS 87 1HD LYS 87 -2.731 19.967 10.773 478 2HD LYS 87 2HD LYS 87 -3.213 20.496 9.159 479 1HE LYS 87 1HE LYS 87 -5.542 20.621 9.911 480 2HE LYS 87 2HE LYS 87 -5.046 20.114 11.524 481 1HZ LYS 87 1HZ LYS 87 -4.071 22.572 10.171 482 2HZ LYS 87 2HZ LYS 87 -3.779 22.111 11.778 483 3HZ LYS 87 3HZ LYS 87 -5.345 22.536 11.289 484 H THR 88 H THR 88 -5.144 15.348 9.090 485 HA THR 88 HA THR 88 -5.916 14.908 6.387 486 HB THR 88 HB THR 88 -8.178 14.410 7.439 487 HG1 THR 88 HG1 THR 88 -8.019 14.142 9.781 488 1HG2 THR 88 1HG2 THR 88 -6.560 12.659 6.927 489 2HG2 THR 88 2HG2 THR 88 -7.378 12.314 8.451 490 3HG2 THR 88 3HG2 THR 88 -5.734 12.953 8.459 491 H GLY 89 H GLY 89 -7.014 16.103 5.010 492 1HA GLY 89 1HA GLY 89 -8.051 18.701 5.922 493 2HA GLY 89 2HA GLY 89 -7.590 18.308 4.270 494 H ARG 90 H ARG 90 -9.657 19.083 3.563 495 HA ARG 90 HA ARG 90 -11.662 17.015 3.610 496 1HB ARG 90 1HB ARG 90 -13.505 18.465 4.381 497 2HB ARG 90 2HB ARG 90 -12.315 18.160 5.629 498 1HG ARG 90 1HG ARG 90 -12.384 20.688 3.996 499 2HG ARG 90 2HG ARG 90 -13.223 20.496 5.534 500 1HD ARG 90 1HD ARG 90 -11.010 19.906 6.559 501 2HD ARG 90 2HD ARG 90 -10.256 20.357 5.032 502 HE ARG 90 HE ARG 90 -11.699 22.195 6.832 503 1HH1 ARG 90 1HH1 ARG 90 -9.458 21.657 4.183 504 2HH1 ARG 90 2HH1 ARG 90 -8.850 23.287 4.219 505 1HH2 ARG 90 1HH2 ARG 90 -10.858 24.313 6.896 506 2HH2 ARG 90 2HH2 ARG 90 -9.631 24.781 5.751 507 H ASN 91 H ASN 91 -12.154 16.782 1.579 508 HA ASN 91 HA ASN 91 -13.092 19.020 0.011 509 1HB ASN 91 1HB ASN 91 -10.665 19.070 -0.452 510 2HB ASN 91 2HB ASN 91 -10.723 17.377 -0.931 511 1HD2 ASN 91 1HD2 ASN 91 -11.579 16.821 -2.907 512 2HD2 ASN 91 2HD2 ASN 91 -11.920 17.985 -4.137 513 HA PRO 92 HA PRO 92 -15.371 15.197 -0.683 514 1HB PRO 92 1HB PRO 92 -17.819 16.250 -0.764 515 2HB PRO 92 2HB PRO 92 -16.930 16.090 0.756 516 1HG PRO 92 1HG PRO 92 -17.404 18.509 -0.917 517 2HG PRO 92 2HG PRO 92 -17.317 18.363 0.846 518 1HD PRO 92 1HD PRO 92 -15.256 19.238 -0.838 519 2HD PRO 92 2HD PRO 92 -15.074 18.722 0.849 520 H ASN 93 H ASN 93 -15.526 14.229 -2.567 521 HA ASN 93 HA ASN 93 -16.183 15.728 -4.985 522 1HB ASN 93 1HB ASN 93 -14.400 14.053 -5.136 523 2HB ASN 93 2HB ASN 93 -15.516 12.799 -4.601 524 1HD2 ASN 93 1HD2 ASN 93 -16.973 11.936 -6.051 525 2HD2 ASN 93 2HD2 ASN 93 -16.949 12.302 -7.740 526 H ASN 94 H ASN 94 -17.412 13.035 -3.068 527 HA ASN 94 HA ASN 94 -20.135 13.741 -3.957 528 1HB ASN 94 1HB ASN 94 -18.840 11.081 -3.612 529 2HB ASN 94 2HB ASN 94 -20.503 11.228 -3.060 530 1HD2 ASN 94 1HD2 ASN 94 -19.343 13.125 -5.749 531 2HD2 ASN 94 2HD2 ASN 94 -20.207 12.257 -6.976 532 H SER 95 H SER 95 -18.415 12.006 -1.397 533 HA SER 95 HA SER 95 -19.170 13.952 0.570 534 1HB SER 95 1HB SER 95 -21.181 12.422 0.494 535 2HB SER 95 2HB SER 95 -20.119 11.099 0.978 536 HG SER 95 HG SER 95 -21.284 12.210 2.713 537 H SER 96 H SER 96 -16.945 14.168 0.637 538 HA SER 96 HA SER 96 -15.405 11.792 1.411 539 1HB SER 96 1HB SER 96 -14.243 14.274 0.175 540 2HB SER 96 2HB SER 96 -13.575 12.644 0.202 541 HG SER 96 HG SER 96 -15.573 12.118 -1.088 542 H ARG 97 H ARG 97 -14.941 11.789 3.482 543 HA ARG 97 HA ARG 97 -14.177 14.317 4.770 544 1HB ARG 97 1HB ARG 97 -14.936 13.175 6.925 545 2HB ARG 97 2HB ARG 97 -16.197 13.708 5.826 546 1HG ARG 97 1HG ARG 97 -16.938 11.625 6.452 547 2HG ARG 97 2HG ARG 97 -16.108 11.277 4.937 548 1HD ARG 97 1HD ARG 97 -15.512 9.611 6.558 549 2HD ARG 97 2HD ARG 97 -14.106 10.628 6.243 550 HE ARG 97 HE ARG 97 -15.229 11.811 8.402 551 1HH1 ARG 97 1HH1 ARG 97 -14.304 8.515 7.695 552 2HH1 ARG 97 2HH1 ARG 97 -13.985 8.109 9.352 553 1HH2 ARG 97 1HH2 ARG 97 -14.826 11.267 10.598 554 2HH2 ARG 97 2HH2 ARG 97 -14.277 9.672 10.994 555 H ALA 98 H ALA 98 -12.505 14.145 6.388 556 HA ALA 98 HA ALA 98 -10.341 13.668 6.879 557 1HB ALA 98 1HB ALA 98 -11.204 10.799 6.466 558 2HB ALA 98 2HB ALA 98 -11.309 11.704 7.976 559 3HB ALA 98 3HB ALA 98 -9.734 11.335 7.277 560 H TYR 99 H TYR 99 -9.871 14.769 4.857 561 HA TYR 99 HA TYR 99 -9.441 13.040 2.536 562 1HB TYR 99 1HB TYR 99 -10.870 15.028 2.237 563 2HB TYR 99 2HB TYR 99 -9.530 16.060 2.716 564 HD1 TYR 99 HD1 TYR 99 -10.471 13.515 0.157 565 HD2 TYR 99 HD2 TYR 99 -8.121 16.935 1.089 566 HE1 TYR 99 HE1 TYR 99 -9.765 13.662 -2.194 567 HE2 TYR 99 HE2 TYR 99 -7.405 17.090 -1.258 568 HH TYR 99 HH TYR 99 -7.211 15.669 -3.226 569 H MET 100 H MET 100 -7.493 12.130 2.725 570 HA MET 100 HA MET 100 -5.171 13.518 3.627 571 1HB MET 100 1HB MET 100 -5.416 10.958 2.031 572 2HB MET 100 2HB MET 100 -3.939 11.547 2.781 573 1HG MET 100 1HG MET 100 -5.007 11.383 4.986 574 2HG MET 100 2HG MET 100 -6.458 10.738 4.217 575 1HE MET 100 1HE MET 100 -2.744 10.024 3.182 576 2HE MET 100 2HE MET 100 -2.374 8.599 4.154 577 3HE MET 100 3HE MET 100 -2.650 10.157 4.935 578 H GLY 101 H GLY 101 -6.445 12.630 0.441 579 1HA GLY 101 1HA GLY 101 -6.335 14.172 -1.382 580 2HA GLY 101 2HA GLY 101 -4.871 14.843 -0.680 581 H ILE 102 H ILE 102 -4.197 11.802 -0.266 582 HA ILE 102 HA ILE 102 -3.143 11.453 -2.986 583 HB ILE 102 HB ILE 102 -1.247 10.228 -2.017 584 1HG1 ILE 102 1HG1 ILE 102 -1.009 10.823 0.597 585 2HG1 ILE 102 2HG1 ILE 102 -2.762 10.677 0.511 586 1HG2 ILE 102 1HG2 ILE 102 -1.664 12.984 -0.874 587 2HG2 ILE 102 2HG2 ILE 102 -0.998 12.584 -2.458 588 3HG2 ILE 102 3HG2 ILE 102 -0.111 12.157 -0.994 589 1HD1 ILE 102 1HD1 ILE 102 -1.747 8.590 1.200 590 2HD1 ILE 102 2HD1 ILE 102 -0.766 8.563 -0.267 591 3HD1 ILE 102 3HD1 ILE 102 -2.519 8.414 -0.376 592 H ARG 103 H ARG 103 -3.242 9.445 -3.930 593 HA ARG 103 HA ARG 103 -5.270 7.680 -2.855 594 1HB ARG 103 1HB ARG 103 -3.653 7.486 -5.399 595 2HB ARG 103 2HB ARG 103 -4.985 6.428 -4.963 596 1HG ARG 103 1HG ARG 103 -6.425 8.519 -4.897 597 2HG ARG 103 2HG ARG 103 -5.076 9.335 -5.695 598 1HD ARG 103 1HD ARG 103 -6.647 8.574 -7.366 599 2HD ARG 103 2HD ARG 103 -5.162 7.631 -7.491 600 HE ARG 103 HE ARG 103 -7.606 6.645 -6.147 601 1HH1 ARG 103 1HH1 ARG 103 -4.774 6.107 -8.149 602 2HH1 ARG 103 2HH1 ARG 103 -5.144 4.439 -8.432 603 1HH2 ARG 103 1HH2 ARG 103 -8.087 4.459 -6.505 604 2HH2 ARG 103 2HH2 ARG 103 -7.047 3.502 -7.509 605 H THR 104 H THR 104 -4.960 5.539 -2.296 606 HA THR 104 HA THR 104 -2.164 4.680 -2.014 607 HB THR 104 HB THR 104 -3.023 3.366 0.008 608 HG1 THR 104 HG1 THR 104 -5.259 3.708 -0.376 609 1HG2 THR 104 1HG2 THR 104 -1.550 5.282 0.253 610 2HG2 THR 104 2HG2 THR 104 -2.783 5.311 1.516 611 3HG2 THR 104 3HG2 THR 104 -2.922 6.381 0.121 612 H SER 105 H SER 105 -1.732 2.921 -3.116 613 HA SER 105 HA SER 105 -3.863 0.937 -3.529 614 1HB SER 105 1HB SER 105 -1.729 1.663 -5.553 615 2HB SER 105 2HB SER 105 -3.034 0.504 -5.774 616 HG SER 105 HG SER 105 -3.129 2.958 -6.483 617 H ASN 106 H ASN 106 -3.086 -1.238 -3.695 618 HA ASN 106 HA ASN 106 -0.737 -1.715 -2.098 619 1HB ASN 106 1HB ASN 106 -1.341 -4.154 -2.492 620 2HB ASN 106 2HB ASN 106 -2.546 -3.190 -1.651 621 1HD2 ASN 106 1HD2 ASN 106 -4.250 -4.501 -2.201 622 2HD2 ASN 106 2HD2 ASN 106 -4.871 -4.617 -3.811 623 H HIS 107 H HIS 107 -1.527 -1.456 -5.361 624 HA HIS 107 HA HIS 107 -0.592 -2.056 -7.358 625 1HB HIS 107 1HB HIS 107 0.830 -0.155 -6.315 626 2HB HIS 107 2HB HIS 107 2.053 -1.402 -6.088 627 HD1 HIS 107 HD1 HIS 107 3.548 -1.842 -8.039 628 HD2 HIS 107 HD2 HIS 107 0.065 0.158 -9.135 629 HE1 HIS 107 HE1 HIS 107 3.825 -1.275 -10.475 630 HE2 HIS 107 HE2 HIS 107 1.644 -0.206 -11.155 631 H LEU 108 H LEU 108 -1.149 -4.351 -6.363 632 HA LEU 108 HA LEU 108 1.051 -5.997 -5.640 633 1HB LEU 108 1HB LEU 108 -1.776 -6.643 -6.436 634 2HB LEU 108 2HB LEU 108 -0.606 -7.875 -6.002 635 HG LEU 108 HG LEU 108 -1.505 -5.638 -4.206 636 1HD1 LEU 108 1HD1 LEU 108 -2.692 -7.372 -2.966 637 2HD1 LEU 108 2HD1 LEU 108 -2.206 -8.566 -4.168 638 3HD1 LEU 108 3HD1 LEU 108 -3.290 -7.252 -4.621 639 1HD2 LEU 108 1HD2 LEU 108 0.232 -8.034 -3.655 640 2HD2 LEU 108 2HD2 LEU 108 -0.328 -6.873 -2.451 641 3HD2 LEU 108 3HD2 LEU 108 0.770 -6.357 -3.733 642 H ARG 109 H ARG 109 0.939 -8.266 -6.871 643 HA ARG 109 HA ARG 109 2.464 -7.843 -9.218 644 1HB ARG 109 1HB ARG 109 2.839 -9.742 -7.709 645 2HB ARG 109 2HB ARG 109 1.251 -10.382 -8.116 646 1HG ARG 109 1HG ARG 109 1.990 -10.608 -10.463 647 2HG ARG 109 2HG ARG 109 3.601 -10.083 -9.967 648 1HD ARG 109 1HD ARG 109 3.760 -11.984 -8.448 649 2HD ARG 109 2HD ARG 109 2.143 -12.503 -8.913 650 HE ARG 109 HE ARG 109 4.464 -12.455 -10.735 651 1HH1 ARG 109 1HH1 ARG 109 1.436 -13.793 -9.643 652 2HH1 ARG 109 2HH1 ARG 109 1.414 -15.080 -10.807 653 1HH2 ARG 109 1HH2 ARG 109 4.478 -14.148 -12.277 654 2HH2 ARG 109 2HH2 ARG 109 3.157 -15.285 -12.314 655 H VAL 110 H VAL 110 1.720 -7.389 -11.159 656 HA VAL 110 HA VAL 110 -1.064 -7.780 -11.826 657 HB VAL 110 HB VAL 110 0.172 -5.700 -12.417 658 1HG1 VAL 110 1HG1 VAL 110 1.689 -5.724 -14.356 659 2HG1 VAL 110 2HG1 VAL 110 1.630 -7.488 -14.356 660 3HG1 VAL 110 3HG1 VAL 110 2.324 -6.628 -12.982 661 1HG2 VAL 110 1HG2 VAL 110 -0.727 -5.463 -14.674 662 2HG2 VAL 110 2HG2 VAL 110 -1.866 -6.296 -13.617 663 3HG2 VAL 110 3HG2 VAL 110 -0.918 -7.213 -14.786 664 H ARG 111 H ARG 111 -1.764 -8.849 -13.746 665 HA ARG 111 HA ARG 111 -2.077 -10.674 -15.001 666 1HB ARG 111 1HB ARG 111 -0.364 -11.162 -16.701 667 2HB ARG 111 2HB ARG 111 -0.759 -9.459 -16.575 668 1HG ARG 111 1HG ARG 111 1.303 -8.925 -15.639 669 2HG ARG 111 2HG ARG 111 1.621 -10.592 -15.159 670 1HD ARG 111 1HD ARG 111 2.992 -9.900 -17.070 671 2HD ARG 111 2HD ARG 111 1.919 -11.240 -17.470 672 HE ARG 111 HE ARG 111 0.569 -8.934 -18.185 673 1HH1 ARG 111 1HH1 ARG 111 3.574 -10.518 -19.068 674 2HH1 ARG 111 2HH1 ARG 111 3.554 -9.910 -20.696 675 1HH2 ARG 111 1HH2 ARG 111 0.555 -8.145 -20.320 676 2HH2 ARG 111 2HH2 ARG 111 1.851 -8.565 -21.402 677 H ASP 112 H ASP 112 -2.472 -12.420 -13.848 678 HA ASP 112 HA ASP 112 -0.215 -14.288 -13.595 679 1HB ASP 112 1HB ASP 112 -1.046 -13.661 -11.349 680 2HB ASP 112 2HB ASP 112 -2.657 -14.211 -11.802 681 H SER 113 H SER 113 -0.459 -15.321 -15.472 682 HA SER 113 HA SER 113 -1.308 -16.610 -17.122 683 1HB SER 113 1HB SER 113 -2.850 -17.797 -14.809 684 2HB SER 113 2HB SER 113 -2.619 -18.558 -16.386 685 HG SER 113 HG SER 113 -0.254 -18.125 -15.855 686 H VAL 114 H VAL 114 -2.342 -14.751 -18.088 687 HA VAL 114 HA VAL 114 -5.209 -14.515 -17.768 688 HB VAL 114 HB VAL 114 -5.061 -12.770 -19.516 689 1HG1 VAL 114 1HG1 VAL 114 -4.787 -12.158 -17.181 690 2HG1 VAL 114 2HG1 VAL 114 -3.755 -11.156 -18.200 691 3HG1 VAL 114 3HG1 VAL 114 -3.058 -12.489 -17.277 692 1HG2 VAL 114 1HG2 VAL 114 -2.821 -12.028 -20.279 693 2HG2 VAL 114 2HG2 VAL 114 -3.241 -13.641 -20.852 694 3HG2 VAL 114 3HG2 VAL 114 -2.118 -13.449 -19.506 695 H ALA 115 H ALA 115 -6.727 -14.849 -19.471 696 HA ALA 115 HA ALA 115 -6.013 -17.143 -21.120 697 1HB ALA 115 1HB ALA 115 -8.041 -17.242 -19.759 698 2HB ALA 115 2HB ALA 115 -8.410 -17.382 -21.477 699 3HB ALA 115 3HB ALA 115 -8.697 -15.860 -20.635 700 H SER 116 H SER 116 -6.044 -17.198 -23.315 701 HA SER 116 HA SER 116 -6.238 -14.596 -24.656 702 1HB SER 116 1HB SER 116 -4.993 -17.146 -25.700 703 2HB SER 116 2HB SER 116 -4.861 -15.537 -26.409 704 HG SER 116 HG SER 116 -3.555 -14.900 -24.772 705 H VAL 117 H VAL 117 -8.362 -16.609 -23.890 706 HA VAL 117 HA VAL 117 -9.539 -17.045 -26.548 707 HB VAL 117 HB VAL 117 -9.270 -19.105 -25.252 708 1HG1 VAL 117 1HG1 VAL 117 -9.343 -18.180 -23.000 709 2HG1 VAL 117 2HG1 VAL 117 -10.514 -19.488 -23.179 710 3HG1 VAL 117 3HG1 VAL 117 -11.056 -17.811 -23.195 711 1HG2 VAL 117 1HG2 VAL 117 -11.159 -18.947 -26.775 712 2HG2 VAL 117 2HG2 VAL 117 -12.156 -18.268 -25.488 713 3HG2 VAL 117 3HG2 VAL 117 -11.571 -19.928 -25.367 714 H LEU 118 H LEU 118 -11.561 -16.228 -27.003 715 HA LEU 118 HA LEU 118 -12.463 -14.123 -25.192 716 1HB LEU 118 1HB LEU 118 -13.308 -14.788 -28.011 717 2HB LEU 118 2HB LEU 118 -13.878 -13.413 -27.088 718 HG LEU 118 HG LEU 118 -11.029 -13.881 -27.967 719 1HD1 LEU 118 1HD1 LEU 118 -12.504 -13.312 -29.818 720 2HD1 LEU 118 2HD1 LEU 118 -11.406 -11.983 -29.451 721 3HD1 LEU 118 3HD1 LEU 118 -13.091 -11.902 -28.932 722 1HD2 LEU 118 1HD2 LEU 118 -12.259 -11.517 -26.551 723 2HD2 LEU 118 2HD2 LEU 118 -10.594 -11.644 -27.120 724 3HD2 LEU 118 3HD2 LEU 118 -11.167 -12.698 -25.827 725 H GLY 119 H GLY 119 -14.142 -16.516 -27.236 726 1HA GLY 119 1HA GLY 119 -15.915 -17.910 -26.716 727 2HA GLY 119 2HA GLY 119 -15.734 -17.443 -25.031 728 H ASP 120 H ASP 120 -17.654 -16.746 -24.361 729 HA ASP 120 HA ASP 120 -18.934 -14.581 -25.867 730 1HB ASP 120 1HB ASP 120 -20.310 -17.080 -24.871 731 2HB ASP 120 2HB ASP 120 -21.183 -15.598 -25.243 732 H THR 121 H THR 121 -20.401 -13.303 -24.578 733 HA THR 121 HA THR 121 -20.133 -13.682 -21.684 734 HB THR 121 HB THR 121 -18.581 -11.876 -22.381 735 HG1 THR 121 HG1 THR 121 -19.062 -10.918 -20.564 736 1HG2 THR 121 1HG2 THR 121 -19.765 -11.039 -24.337 737 2HG2 THR 121 2HG2 THR 121 -19.486 -9.737 -23.182 738 3HG2 THR 121 3HG2 THR 121 -21.084 -10.469 -23.314 739 H LEU 122 H LEU 122 -21.986 -13.235 -20.510 740 HA LEU 122 HA LEU 122 -24.384 -12.816 -22.164 741 1HB LEU 122 1HB LEU 122 -24.092 -14.156 -19.476 742 2HB LEU 122 2HB LEU 122 -25.613 -13.912 -20.314 743 HG LEU 122 HG LEU 122 -23.324 -15.638 -21.269 744 1HD1 LEU 122 1HD1 LEU 122 -24.885 -17.486 -20.904 745 2HD1 LEU 122 2HD1 LEU 122 -26.072 -16.355 -20.253 746 3HD1 LEU 122 3HD1 LEU 122 -24.548 -16.619 -19.404 747 1HD2 LEU 122 1HD2 LEU 122 -26.030 -15.127 -22.499 748 2HD2 LEU 122 2HD2 LEU 122 -24.855 -16.315 -23.062 749 3HD2 LEU 122 3HD2 LEU 122 -24.477 -14.593 -23.143 750 HA PRO 123 HA PRO 123 -24.812 -8.906 -20.049 751 1HB PRO 123 1HB PRO 123 -27.382 -8.764 -21.442 752 2HB PRO 123 2HB PRO 123 -25.966 -7.723 -21.606 753 1HG PRO 123 1HG PRO 123 -26.732 -9.433 -23.546 754 2HG PRO 123 2HG PRO 123 -25.033 -9.023 -23.254 755 1HD PRO 123 1HD PRO 123 -26.560 -11.466 -22.437 756 2HD PRO 123 2HD PRO 123 -24.903 -11.328 -23.067 757 H PHE 124 H PHE 124 -26.129 -8.084 -18.406 758 HA PHE 124 HA PHE 124 -27.468 -10.168 -16.930 759 1HB PHE 124 1HB PHE 124 -26.916 -7.279 -16.235 760 2HB PHE 124 2HB PHE 124 -27.633 -8.454 -15.134 761 HD1 PHE 124 HD1 PHE 124 -26.301 -10.484 -14.493 762 HD2 PHE 124 HD2 PHE 124 -24.587 -7.156 -16.523 763 HE1 PHE 124 HE1 PHE 124 -24.058 -11.232 -13.817 764 HE2 PHE 124 HE2 PHE 124 -22.339 -7.899 -15.849 765 HZ PHE 124 HZ PHE 124 -22.076 -9.941 -14.496 766 H ALA 125 H ALA 125 -29.508 -10.623 -17.117 767 HA ALA 125 HA ALA 125 -31.402 -8.474 -17.823 768 1HB ALA 125 1HB ALA 125 -31.033 -9.949 -19.743 769 2HB ALA 125 2HB ALA 125 -32.679 -10.104 -19.125 770 3HB ALA 125 3HB ALA 125 -31.479 -11.342 -18.759 Start of MODEL 9 1 H GLN 23 H GLN 23 -5.104 -10.294 -1.988 2 HA GLN 23 HA GLN 23 -5.065 -11.363 0.750 3 1HB GLN 23 1HB GLN 23 -3.305 -12.081 -1.595 4 2HB GLN 23 2HB GLN 23 -2.842 -12.420 0.068 5 1HG GLN 23 1HG GLN 23 -4.526 -13.988 0.354 6 2HG GLN 23 2HG GLN 23 -5.477 -13.355 -0.988 7 1HE2 GLN 23 1HE2 GLN 23 -5.007 -13.974 -3.062 8 2HE2 GLN 23 2HE2 GLN 23 -3.960 -15.303 -3.427 9 HA PRO 24 HA PRO 24 -2.911 -7.573 1.417 10 1HB PRO 24 1HB PRO 24 -2.457 -7.815 4.029 11 2HB PRO 24 2HB PRO 24 -4.106 -7.693 3.400 12 1HG PRO 24 1HG PRO 24 -2.576 -10.128 4.232 13 2HG PRO 24 2HG PRO 24 -4.247 -9.681 4.618 14 1HD PRO 24 1HD PRO 24 -3.557 -11.423 2.623 15 2HD PRO 24 2HD PRO 24 -5.042 -10.450 2.612 16 H ASP 25 H ASP 25 -0.911 -6.685 2.095 17 HA ASP 25 HA ASP 25 1.264 -8.247 3.027 18 1HB ASP 25 1HB ASP 25 1.241 -8.914 0.592 19 2HB ASP 25 2HB ASP 25 1.567 -7.230 0.196 20 H GLY 26 H GLY 26 0.124 -5.359 1.429 21 1HA GLY 26 1HA GLY 26 0.894 -3.474 3.232 22 2HA GLY 26 2HA GLY 26 2.311 -3.690 2.207 23 H VAL 27 H VAL 27 0.998 -1.243 2.265 24 HA VAL 27 HA VAL 27 -0.234 -1.216 -0.415 25 HB VAL 27 HB VAL 27 -1.542 0.749 0.225 26 1HG1 VAL 27 1HG1 VAL 27 -1.932 -1.579 2.102 27 2HG1 VAL 27 2HG1 VAL 27 -2.576 -1.432 0.467 28 3HG1 VAL 27 3HG1 VAL 27 -3.137 -0.342 1.734 29 1HG2 VAL 27 1HG2 VAL 27 -1.708 1.438 2.578 30 2HG2 VAL 27 2HG2 VAL 27 -0.089 1.689 1.926 31 3HG2 VAL 27 3HG2 VAL 27 -0.408 0.317 2.986 32 H GLN 28 H GLN 28 0.294 0.554 -1.787 33 HA GLN 28 HA GLN 28 2.491 2.236 -0.779 34 1HB GLN 28 1HB GLN 28 3.599 2.082 -2.949 35 2HB GLN 28 2HB GLN 28 3.450 0.510 -2.194 36 1HG GLN 28 1HG GLN 28 2.892 0.004 -4.342 37 2HG GLN 28 2HG GLN 28 1.301 0.330 -3.663 38 1HE2 GLN 28 1HE2 GLN 28 3.723 2.743 -4.535 39 2HE2 GLN 28 2HE2 GLN 28 2.778 3.482 -5.774 40 H ILE 29 H ILE 29 2.818 4.216 -2.155 41 HA ILE 29 HA ILE 29 0.201 5.458 -2.481 42 HB ILE 29 HB ILE 29 2.938 6.730 -2.556 43 1HG1 ILE 29 1HG1 ILE 29 0.981 6.585 -0.252 44 2HG1 ILE 29 2HG1 ILE 29 2.446 5.615 -0.386 45 1HG2 ILE 29 1HG2 ILE 29 0.187 7.926 -2.250 46 2HG2 ILE 29 2HG2 ILE 29 1.242 8.070 -3.654 47 3HG2 ILE 29 3HG2 ILE 29 1.704 8.817 -2.125 48 1HD1 ILE 29 1HD1 ILE 29 2.332 8.619 -0.210 49 2HD1 ILE 29 2HD1 ILE 29 3.797 7.641 -0.318 50 3HD1 ILE 29 3HD1 ILE 29 2.754 7.516 1.100 51 H ASP 30 H ASP 30 -0.685 5.456 -4.445 52 HA ASP 30 HA ASP 30 0.740 5.090 -6.876 53 1HB ASP 30 1HB ASP 30 -1.660 4.581 -6.669 54 2HB ASP 30 2HB ASP 30 -2.005 6.280 -6.416 55 H SER 31 H SER 31 -0.945 7.923 -5.576 56 HA SER 31 HA SER 31 1.145 9.717 -6.338 57 1HB SER 31 1HB SER 31 -0.356 11.016 -7.951 58 2HB SER 31 2HB SER 31 0.318 9.503 -8.559 59 HG SER 31 HG SER 31 -1.626 8.529 -8.371 60 H VAL 32 H VAL 32 0.576 11.962 -5.814 61 HA VAL 32 HA VAL 32 -1.361 12.068 -3.620 62 HB VAL 32 HB VAL 32 0.766 14.085 -4.390 63 1HG1 VAL 32 1HG1 VAL 32 -0.975 13.831 -1.939 64 2HG1 VAL 32 2HG1 VAL 32 -1.015 15.122 -3.140 65 3HG1 VAL 32 3HG1 VAL 32 0.388 14.936 -2.090 66 1HG2 VAL 32 1HG2 VAL 32 1.815 12.003 -3.721 67 2HG2 VAL 32 2HG2 VAL 32 0.824 11.946 -2.263 68 3HG2 VAL 32 3HG2 VAL 32 2.026 13.220 -2.461 69 H VAL 33 H VAL 33 -3.083 13.464 -3.644 70 HA VAL 33 HA VAL 33 -3.893 14.350 -6.285 71 HB VAL 33 HB VAL 33 -5.434 14.451 -3.690 72 1HG1 VAL 33 1HG1 VAL 33 -7.409 14.646 -5.127 73 2HG1 VAL 33 2HG1 VAL 33 -6.364 14.686 -6.548 74 3HG1 VAL 33 3HG1 VAL 33 -6.295 15.992 -5.366 75 1HG2 VAL 33 1HG2 VAL 33 -5.459 12.371 -5.877 76 2HG2 VAL 33 2HG2 VAL 33 -6.568 12.423 -4.504 77 3HG2 VAL 33 3HG2 VAL 33 -4.844 12.157 -4.237 78 HA PRO 34 HA PRO 34 -2.435 18.497 -5.411 79 1HB PRO 34 1HB PRO 34 -3.426 19.613 -7.706 80 2HB PRO 34 2HB PRO 34 -1.909 18.711 -7.626 81 1HG PRO 34 1HG PRO 34 -4.615 17.794 -8.514 82 2HG PRO 34 2HG PRO 34 -3.028 17.464 -9.234 83 1HD PRO 34 1HD PRO 34 -4.297 15.655 -7.694 84 2HD PRO 34 2HD PRO 34 -2.529 15.818 -7.688 85 H GLY 35 H GLY 35 -5.669 17.431 -5.777 86 1HA GLY 35 1HA GLY 35 -6.784 20.053 -5.094 87 2HA GLY 35 2HA GLY 35 -7.703 18.616 -5.528 88 H SER 36 H SER 36 -5.113 18.318 -3.282 89 HA SER 36 HA SER 36 -6.825 18.528 -0.955 90 1HB SER 36 1HB SER 36 -5.487 15.954 -1.753 91 2HB SER 36 2HB SER 36 -6.294 16.228 -0.215 92 HG SER 36 HG SER 36 -7.950 16.916 -2.188 93 HA PRO 37 HA PRO 37 -2.981 19.577 1.041 94 1HB PRO 37 1HB PRO 37 -3.038 18.287 3.427 95 2HB PRO 37 2HB PRO 37 -4.062 19.682 3.068 96 1HG PRO 37 1HG PRO 37 -4.739 16.769 3.001 97 2HG PRO 37 2HG PRO 37 -5.687 18.122 3.644 98 1HD PRO 37 1HD PRO 37 -6.179 17.026 1.216 99 2HD PRO 37 2HD PRO 37 -6.450 18.745 1.561 100 H ALA 38 H ALA 38 -1.200 18.360 2.579 101 HA ALA 38 HA ALA 38 0.480 16.857 2.782 102 1HB ALA 38 1HB ALA 38 -1.292 15.195 3.063 103 2HB ALA 38 2HB ALA 38 0.119 14.525 2.241 104 3HB ALA 38 3HB ALA 38 -1.326 14.940 1.318 105 H SER 39 H SER 39 -0.597 17.929 -0.211 106 HA SER 39 HA SER 39 1.156 16.519 -1.940 107 1HB SER 39 1HB SER 39 -0.908 17.667 -2.710 108 2HB SER 39 2HB SER 39 -0.150 19.220 -2.362 109 HG SER 39 HG SER 39 1.586 18.115 -3.854 110 H LYS 40 H LYS 40 1.803 18.804 0.393 111 HA LYS 40 HA LYS 40 4.348 19.502 -0.914 112 1HB LYS 40 1HB LYS 40 4.395 21.527 0.453 113 2HB LYS 40 2HB LYS 40 2.931 21.470 -0.517 114 1HG LYS 40 1HG LYS 40 1.652 20.745 1.414 115 2HG LYS 40 2HG LYS 40 3.116 20.733 2.396 116 1HD LYS 40 1HD LYS 40 2.020 23.181 1.017 117 2HD LYS 40 2HD LYS 40 1.678 22.757 2.694 118 1HE LYS 40 1HE LYS 40 3.437 24.267 2.874 119 2HE LYS 40 2HE LYS 40 4.241 22.703 2.970 120 1HZ LYS 40 1HZ LYS 40 4.869 22.897 0.662 121 2HZ LYS 40 2HZ LYS 40 5.392 24.272 1.500 122 3HZ LYS 40 3HZ LYS 40 4.019 24.356 0.510 123 H VAL 41 H VAL 41 3.311 17.257 0.975 124 HA VAL 41 HA VAL 41 5.427 17.567 3.010 125 HB VAL 41 HB VAL 41 2.819 16.077 3.362 126 1HG1 VAL 41 1HG1 VAL 41 3.495 15.910 5.711 127 2HG1 VAL 41 2HG1 VAL 41 5.032 16.684 5.319 128 3HG1 VAL 41 3HG1 VAL 41 4.640 15.104 4.640 129 1HG2 VAL 41 1HG2 VAL 41 3.702 18.738 4.481 130 2HG2 VAL 41 2HG2 VAL 41 2.240 17.868 4.948 131 3HG2 VAL 41 3HG2 VAL 41 2.419 18.470 3.301 132 H LEU 42 H LEU 42 3.443 15.096 1.359 133 HA LEU 42 HA LEU 42 5.603 13.168 1.761 134 1HB LEU 42 1HB LEU 42 2.769 12.776 0.807 135 2HB LEU 42 2HB LEU 42 3.954 11.493 0.916 136 HG LEU 42 HG LEU 42 4.104 12.149 3.426 137 1HD1 LEU 42 1HD1 LEU 42 2.809 14.212 3.255 138 2HD1 LEU 42 2HD1 LEU 42 2.041 13.056 4.345 139 3HD1 LEU 42 3HD1 LEU 42 1.405 13.290 2.715 140 1HD2 LEU 42 1HD2 LEU 42 1.639 10.803 2.329 141 2HD2 LEU 42 2HD2 LEU 42 2.301 10.613 3.952 142 3HD2 LEU 42 3HD2 LEU 42 3.211 10.039 2.556 143 H THR 43 H THR 43 5.893 11.581 -0.091 144 HA THR 43 HA THR 43 5.874 12.996 -2.671 145 HB THR 43 HB THR 43 7.985 11.044 -1.698 146 HG1 THR 43 HG1 THR 43 7.687 13.630 -1.190 147 1HG2 THR 43 1HG2 THR 43 7.642 11.011 -4.142 148 2HG2 THR 43 2HG2 THR 43 9.213 11.684 -3.704 149 3HG2 THR 43 3HG2 THR 43 7.896 12.753 -4.190 150 HA PRO 44 HA PRO 44 3.402 9.447 -3.817 151 1HB PRO 44 1HB PRO 44 3.317 9.947 -6.492 152 2HB PRO 44 2HB PRO 44 2.318 10.805 -5.314 153 1HG PRO 44 1HG PRO 44 4.869 11.659 -6.616 154 2HG PRO 44 2HG PRO 44 3.405 12.606 -6.294 155 1HD PRO 44 1HD PRO 44 5.621 12.760 -4.743 156 2HD PRO 44 2HD PRO 44 3.984 12.980 -4.094 157 H GLY 45 H GLY 45 3.735 7.430 -4.748 158 1HA GLY 45 1HA GLY 45 4.909 5.881 -6.116 159 2HA GLY 45 2HA GLY 45 6.263 6.996 -6.170 160 H LEU 46 H LEU 46 5.372 7.019 -3.039 161 HA LEU 46 HA LEU 46 7.485 5.143 -2.342 162 1HB LEU 46 1HB LEU 46 5.902 7.054 -0.618 163 2HB LEU 46 2HB LEU 46 7.246 6.075 -0.064 164 HG LEU 46 HG LEU 46 7.373 8.318 -2.078 165 1HD1 LEU 46 1HD1 LEU 46 8.533 8.075 0.697 166 2HD1 LEU 46 2HD1 LEU 46 7.112 9.028 0.261 167 3HD1 LEU 46 3HD1 LEU 46 8.695 9.453 -0.393 168 1HD2 LEU 46 1HD2 LEU 46 8.926 6.531 -2.663 169 2HD2 LEU 46 2HD2 LEU 46 9.570 6.542 -1.021 170 3HD2 LEU 46 3HD2 LEU 46 9.789 7.947 -2.064 171 H VAL 47 H VAL 47 7.154 3.677 -0.469 172 HA VAL 47 HA VAL 47 4.502 2.419 -0.627 173 HB VAL 47 HB VAL 47 7.083 1.289 0.484 174 1HG1 VAL 47 1HG1 VAL 47 5.942 -0.862 0.429 175 2HG1 VAL 47 2HG1 VAL 47 4.474 -0.079 -0.154 176 3HG1 VAL 47 3HG1 VAL 47 5.080 0.279 1.464 177 1HG2 VAL 47 1HG2 VAL 47 5.751 0.824 -2.182 178 2HG2 VAL 47 2HG2 VAL 47 7.147 -0.063 -1.571 179 3HG2 VAL 47 3HG2 VAL 47 7.276 1.665 -1.905 180 H ILE 48 H ILE 48 3.269 2.061 1.207 181 HA ILE 48 HA ILE 48 3.977 3.731 3.502 182 HB ILE 48 HB ILE 48 1.357 2.361 2.855 183 1HG1 ILE 48 1HG1 ILE 48 2.163 5.268 2.583 184 2HG1 ILE 48 2HG1 ILE 48 1.958 4.139 1.248 185 1HG2 ILE 48 1HG2 ILE 48 1.647 2.715 5.249 186 2HG2 ILE 48 2HG2 ILE 48 0.418 3.801 4.603 187 3HG2 ILE 48 3HG2 ILE 48 2.033 4.413 4.963 188 1HD1 ILE 48 1HD1 ILE 48 -0.407 3.916 1.805 189 2HD1 ILE 48 2HD1 ILE 48 0.033 5.592 1.475 190 3HD1 ILE 48 3HD1 ILE 48 -0.196 5.051 3.138 191 H GLU 49 H GLU 49 4.807 2.872 5.245 192 HA GLU 49 HA GLU 49 4.860 0.020 5.664 193 1HB GLU 49 1HB GLU 49 6.725 1.764 6.137 194 2HB GLU 49 2HB GLU 49 5.823 2.105 7.602 195 1HG GLU 49 1HG GLU 49 6.855 -0.620 6.870 196 2HG GLU 49 2HG GLU 49 7.727 0.531 7.877 197 H SER 50 H SER 50 3.565 2.882 7.348 198 HA SER 50 HA SER 50 1.360 1.397 8.385 199 1HB SER 50 1HB SER 50 2.024 1.782 10.816 200 2HB SER 50 2HB SER 50 2.889 0.505 9.962 201 HG SER 50 HG SER 50 4.687 1.622 10.050 202 H ILE 51 H ILE 51 -0.101 2.659 9.669 203 HA ILE 51 HA ILE 51 0.319 5.567 9.379 204 HB ILE 51 HB ILE 51 -2.313 4.080 9.423 205 1HG1 ILE 51 1HG1 ILE 51 -0.883 5.532 7.181 206 2HG1 ILE 51 2HG1 ILE 51 -1.072 3.788 7.316 207 1HG2 ILE 51 1HG2 ILE 51 -3.288 6.291 8.891 208 2HG2 ILE 51 2HG2 ILE 51 -1.695 7.019 9.102 209 3HG2 ILE 51 3HG2 ILE 51 -2.507 6.264 10.473 210 1HD1 ILE 51 1HD1 ILE 51 -3.492 4.041 7.117 211 2HD1 ILE 51 2HD1 ILE 51 -2.643 4.713 5.724 212 3HD1 ILE 51 3HD1 ILE 51 -3.292 5.786 6.967 213 H ASN 52 H ASN 52 0.955 6.310 11.259 214 HA ASN 52 HA ASN 52 0.956 6.969 13.427 215 1HB ASN 52 1HB ASN 52 -1.521 7.298 12.981 216 2HB ASN 52 2HB ASN 52 -1.775 5.726 13.723 217 1HD2 ASN 52 1HD2 ASN 52 -1.122 9.054 14.245 218 2HD2 ASN 52 2HD2 ASN 52 -1.154 9.019 15.972 219 H GLY 53 H GLY 53 -1.062 4.123 14.011 220 1HA GLY 53 1HA GLY 53 1.302 2.760 15.124 221 2HA GLY 53 2HA GLY 53 -0.190 2.863 16.051 222 H MET 54 H MET 54 -1.211 2.672 12.985 223 HA MET 54 HA MET 54 -1.493 -0.252 13.146 224 1HB MET 54 1HB MET 54 -3.366 1.829 12.008 225 2HB MET 54 2HB MET 54 -3.605 0.094 11.849 226 1HG MET 54 1HG MET 54 -3.825 -0.132 14.239 227 2HG MET 54 2HG MET 54 -3.455 1.577 14.462 228 1HE MET 54 1HE MET 54 -5.018 3.539 13.631 229 2HE MET 54 2HE MET 54 -6.583 3.305 12.853 230 3HE MET 54 3HE MET 54 -5.100 2.873 12.000 231 HA PRO 55 HA PRO 55 0.688 0.017 9.237 232 1HB PRO 55 1HB PRO 55 1.334 -2.576 9.062 233 2HB PRO 55 2HB PRO 55 2.182 -1.475 10.147 234 1HG PRO 55 1HG PRO 55 0.063 -3.488 10.769 235 2HG PRO 55 2HG PRO 55 1.512 -3.060 11.698 236 1HD PRO 55 1HD PRO 55 -1.032 -2.128 12.242 237 2HD PRO 55 2HD PRO 55 0.467 -1.316 12.737 238 H THR 56 H THR 56 -0.163 -0.087 7.254 239 HA THR 56 HA THR 56 -2.679 -1.528 6.913 240 HB THR 56 HB THR 56 -2.649 -0.179 4.691 241 HG1 THR 56 HG1 THR 56 -0.504 0.526 4.792 242 1HG2 THR 56 1HG2 THR 56 -2.909 1.220 7.360 243 2HG2 THR 56 2HG2 THR 56 -4.165 0.276 6.562 244 3HG2 THR 56 3HG2 THR 56 -3.595 1.776 5.832 245 H SER 57 H SER 57 -2.334 -3.580 6.366 246 HA SER 57 HA SER 57 -0.307 -4.267 4.374 247 1HB SER 57 1HB SER 57 -0.518 -5.609 6.456 248 2HB SER 57 2HB SER 57 -2.163 -6.037 6.002 249 HG SER 57 HG SER 57 0.107 -7.224 5.299 250 H ASN 58 H ASN 58 -3.723 -3.820 4.654 251 HA ASN 58 HA ASN 58 -4.018 -4.660 1.862 252 1HB ASN 58 1HB ASN 58 -4.930 -6.353 3.559 253 2HB ASN 58 2HB ASN 58 -6.171 -5.157 3.911 254 1HD2 ASN 58 1HD2 ASN 58 -4.830 -7.244 1.482 255 2HD2 ASN 58 2HD2 ASN 58 -6.221 -7.280 0.453 256 H LEU 59 H LEU 59 -6.327 -3.885 1.106 257 HA LEU 59 HA LEU 59 -6.295 -1.037 1.421 258 1HB LEU 59 1HB LEU 59 -8.018 -2.888 -0.222 259 2HB LEU 59 2HB LEU 59 -8.029 -1.151 -0.326 260 HG LEU 59 HG LEU 59 -5.677 -2.906 -0.987 261 1HD1 LEU 59 1HD1 LEU 59 -7.559 -1.380 -2.780 262 2HD1 LEU 59 2HD1 LEU 59 -7.467 -3.134 -2.611 263 3HD1 LEU 59 3HD1 LEU 59 -6.111 -2.242 -3.299 264 1HD2 LEU 59 1HD2 LEU 59 -4.968 -0.744 -0.150 265 2HD2 LEU 59 2HD2 LEU 59 -6.064 0.072 -1.265 266 3HD2 LEU 59 3HD2 LEU 59 -4.692 -0.845 -1.889 267 H THR 60 H THR 60 -8.318 -3.757 2.380 268 HA THR 60 HA THR 60 -10.583 -2.288 3.206 269 HB THR 60 HB THR 60 -9.699 -4.827 4.562 270 HG1 THR 60 HG1 THR 60 -10.810 -4.546 1.941 271 1HG2 THR 60 1HG2 THR 60 -11.768 -3.752 5.333 272 2HG2 THR 60 2HG2 THR 60 -12.103 -5.297 4.551 273 3HG2 THR 60 3HG2 THR 60 -12.401 -3.789 3.686 274 H THR 61 H THR 61 -7.685 -3.356 4.958 275 HA THR 61 HA THR 61 -8.494 -2.361 7.475 276 HB THR 61 HB THR 61 -6.701 -4.079 7.131 277 HG1 THR 61 HG1 THR 61 -5.218 -2.924 8.722 278 1HG2 THR 61 1HG2 THR 61 -5.489 -3.033 5.300 279 2HG2 THR 61 2HG2 THR 61 -4.415 -3.291 6.675 280 3HG2 THR 61 3HG2 THR 61 -5.049 -1.680 6.342 281 H TYR 62 H TYR 62 -6.961 -0.926 4.699 282 HA TYR 62 HA TYR 62 -6.185 1.524 5.892 283 1HB TYR 62 1HB TYR 62 -5.240 1.075 3.781 284 2HB TYR 62 2HB TYR 62 -6.793 0.655 3.073 285 HD1 TYR 62 HD1 TYR 62 -4.795 3.524 4.355 286 HD2 TYR 62 HD2 TYR 62 -8.082 2.267 1.958 287 HE1 TYR 62 HE1 TYR 62 -5.034 5.810 3.477 288 HE2 TYR 62 HE2 TYR 62 -8.322 4.544 1.079 289 HH TYR 62 HH TYR 62 -7.764 6.827 1.730 290 H SER 63 H SER 63 -9.072 0.489 4.140 291 HA SER 63 HA SER 63 -10.486 2.896 4.280 292 1HB SER 63 1HB SER 63 -11.018 0.835 2.865 293 2HB SER 63 2HB SER 63 -11.737 0.140 4.314 294 HG SER 63 HG SER 63 -12.549 2.444 2.869 295 H ALA 64 H ALA 64 -10.329 0.147 6.502 296 HA ALA 64 HA ALA 64 -12.241 1.144 8.340 297 1HB ALA 64 1HB ALA 64 -11.581 -1.224 8.207 298 2HB ALA 64 2HB ALA 64 -11.431 -0.575 9.839 299 3HB ALA 64 3HB ALA 64 -9.994 -0.797 8.844 300 H ALA 65 H ALA 65 -8.797 1.608 7.947 301 HA ALA 65 HA ALA 65 -8.331 2.835 10.470 302 1HB ALA 65 1HB ALA 65 -6.782 3.122 7.895 303 2HB ALA 65 2HB ALA 65 -6.508 1.900 9.138 304 3HB ALA 65 3HB ALA 65 -6.226 3.604 9.498 305 H LEU 66 H LEU 66 -8.964 4.104 7.224 306 HA LEU 66 HA LEU 66 -8.836 6.819 7.752 307 1HB LEU 66 1HB LEU 66 -9.200 5.342 5.571 308 2HB LEU 66 2HB LEU 66 -10.880 5.733 5.879 309 HG LEU 66 HG LEU 66 -10.161 8.143 5.948 310 1HD1 LEU 66 1HD1 LEU 66 -7.779 7.796 6.222 311 2HD1 LEU 66 2HD1 LEU 66 -8.104 8.712 4.749 312 3HD1 LEU 66 3HD1 LEU 66 -7.706 6.995 4.653 313 1HD2 LEU 66 1HD2 LEU 66 -11.406 7.181 4.090 314 2HD2 LEU 66 2HD2 LEU 66 -9.898 6.629 3.362 315 3HD2 LEU 66 3HD2 LEU 66 -10.223 8.355 3.508 316 H LYS 67 H LYS 67 -11.440 4.498 8.069 317 HA LYS 67 HA LYS 67 -13.583 6.171 8.651 318 1HB LYS 67 1HB LYS 67 -13.814 3.781 8.195 319 2HB LYS 67 2HB LYS 67 -12.977 3.397 9.690 320 1HG LYS 67 1HG LYS 67 -14.824 4.512 10.933 321 2HG LYS 67 2HG LYS 67 -15.674 4.691 9.397 322 1HD LYS 67 1HD LYS 67 -14.784 2.071 10.601 323 2HD LYS 67 2HD LYS 67 -16.423 2.719 10.662 324 1HE LYS 67 1HE LYS 67 -16.508 2.686 8.204 325 2HE LYS 67 2HE LYS 67 -14.889 1.992 8.166 326 1HZ LYS 67 1HZ LYS 67 -16.549 0.274 7.921 327 2HZ LYS 67 2HZ LYS 67 -17.300 0.744 9.366 328 3HZ LYS 67 3HZ LYS 67 -15.742 0.078 9.403 329 H THR 68 H THR 68 -11.037 4.942 10.768 330 HA THR 68 HA THR 68 -12.348 5.964 13.137 331 HB THR 68 HB THR 68 -10.257 5.094 14.286 332 HG1 THR 68 HG1 THR 68 -9.277 4.987 11.934 333 1HG2 THR 68 1HG2 THR 68 -12.354 3.866 14.289 334 2HG2 THR 68 2HG2 THR 68 -10.999 2.754 14.106 335 3HG2 THR 68 3HG2 THR 68 -11.979 3.185 12.704 336 H ILE 69 H ILE 69 -10.201 7.238 10.842 337 HA ILE 69 HA ILE 69 -8.692 8.902 12.640 338 HB ILE 69 HB ILE 69 -9.051 9.245 9.655 339 1HG1 ILE 69 1HG1 ILE 69 -8.141 7.028 10.103 340 2HG1 ILE 69 2HG1 ILE 69 -6.880 8.066 9.445 341 1HG2 ILE 69 1HG2 ILE 69 -6.942 10.287 11.544 342 2HG2 ILE 69 2HG2 ILE 69 -8.192 11.236 10.741 343 3HG2 ILE 69 3HG2 ILE 69 -6.921 10.469 9.790 344 1HD1 ILE 69 1HD1 ILE 69 -7.250 7.358 12.346 345 2HD1 ILE 69 2HD1 ILE 69 -5.987 8.398 11.691 346 3HD1 ILE 69 3HD1 ILE 69 -6.036 6.690 11.255 347 H SER 70 H SER 70 -9.054 11.038 13.170 348 HA SER 70 HA SER 70 -11.742 12.046 12.631 349 1HB SER 70 1HB SER 70 -9.648 13.262 14.433 350 2HB SER 70 2HB SER 70 -11.396 13.496 14.489 351 HG SER 70 HG SER 70 -9.844 11.304 15.308 352 H VAL 71 H VAL 71 -12.031 14.335 12.072 353 HA VAL 71 HA VAL 71 -10.197 15.183 9.998 354 HB VAL 71 HB VAL 71 -12.435 16.905 10.991 355 1HG1 VAL 71 1HG1 VAL 71 -11.383 16.310 8.225 356 2HG1 VAL 71 2HG1 VAL 71 -10.967 17.718 9.206 357 3HG1 VAL 71 3HG1 VAL 71 -12.623 17.499 8.637 358 1HG2 VAL 71 1HG2 VAL 71 -13.405 14.679 10.913 359 2HG2 VAL 71 2HG2 VAL 71 -12.811 14.467 9.265 360 3HG2 VAL 71 3HG2 VAL 71 -14.036 15.688 9.610 361 H GLY 72 H GLY 72 -8.471 16.425 10.407 362 1HA GLY 72 1HA GLY 72 -7.380 18.317 11.330 363 2HA GLY 72 2HA GLY 72 -8.588 18.358 12.609 364 H GLU 73 H GLU 73 -7.582 15.241 12.011 365 HA GLU 73 HA GLU 73 -6.038 15.189 14.473 366 1HB GLU 73 1HB GLU 73 -7.880 13.516 13.874 367 2HB GLU 73 2HB GLU 73 -6.732 12.847 12.732 368 1HG GLU 73 1HG GLU 73 -5.185 12.379 14.562 369 2HG GLU 73 2HG GLU 73 -6.359 13.030 15.706 370 H VAL 74 H VAL 74 -3.919 14.458 14.570 371 HA VAL 74 HA VAL 74 -2.451 14.792 12.064 372 HB VAL 74 HB VAL 74 -1.363 14.657 14.883 373 1HG1 VAL 74 1HG1 VAL 74 0.288 14.049 13.196 374 2HG1 VAL 74 2HG1 VAL 74 0.671 15.620 13.900 375 3HG1 VAL 74 3HG1 VAL 74 -0.061 15.526 12.299 376 1HG2 VAL 74 1HG2 VAL 74 -1.141 17.077 14.743 377 2HG2 VAL 74 2HG2 VAL 74 -2.829 16.588 14.584 378 3HG2 VAL 74 3HG2 VAL 74 -1.909 17.067 13.157 379 H ILE 75 H ILE 75 -2.002 12.999 10.977 380 HA ILE 75 HA ILE 75 -1.637 10.511 12.505 381 HB ILE 75 HB ILE 75 -2.161 9.321 10.379 382 1HG1 ILE 75 1HG1 ILE 75 -3.088 12.049 9.443 383 2HG1 ILE 75 2HG1 ILE 75 -1.640 11.231 8.861 384 1HG2 ILE 75 1HG2 ILE 75 -4.287 11.163 11.459 385 2HG2 ILE 75 2HG2 ILE 75 -3.805 9.611 12.147 386 3HG2 ILE 75 3HG2 ILE 75 -4.579 9.674 10.560 387 1HD1 ILE 75 1HD1 ILE 75 -3.014 9.426 7.981 388 2HD1 ILE 75 2HD1 ILE 75 -3.487 10.985 7.308 389 3HD1 ILE 75 3HD1 ILE 75 -4.465 10.237 8.570 390 H ASN 76 H ASN 76 -0.089 9.021 11.747 391 HA ASN 76 HA ASN 76 2.279 10.350 10.627 392 1HB ASN 76 1HB ASN 76 2.514 9.651 12.963 393 2HB ASN 76 2HB ASN 76 2.021 8.024 12.542 394 1HD2 ASN 76 1HD2 ASN 76 4.381 8.855 13.880 395 2HD2 ASN 76 2HD2 ASN 76 5.711 8.320 12.926 396 H ILE 77 H ILE 77 2.583 9.777 8.572 397 HA ILE 77 HA ILE 77 1.965 7.006 7.779 398 HB ILE 77 HB ILE 77 2.486 9.406 6.004 399 1HG1 ILE 77 1HG1 ILE 77 -0.126 7.980 6.573 400 2HG1 ILE 77 2HG1 ILE 77 0.346 9.505 7.314 401 1HG2 ILE 77 1HG2 ILE 77 3.126 7.280 4.977 402 2HG2 ILE 77 2HG2 ILE 77 1.701 7.960 4.192 403 3HG2 ILE 77 3HG2 ILE 77 1.526 6.625 5.330 404 1HD1 ILE 77 1HD1 ILE 77 0.371 10.570 5.131 405 2HD1 ILE 77 2HD1 ILE 77 -1.199 9.836 5.463 406 3HD1 ILE 77 3HD1 ILE 77 -0.066 9.040 4.367 407 H THR 78 H THR 78 3.668 5.827 8.212 408 HA THR 78 HA THR 78 6.349 6.880 7.816 409 HB THR 78 HB THR 78 5.482 4.143 8.773 410 HG1 THR 78 HG1 THR 78 5.187 6.463 9.986 411 1HG2 THR 78 1HG2 THR 78 8.125 5.588 9.038 412 2HG2 THR 78 2HG2 THR 78 7.796 4.231 7.961 413 3HG2 THR 78 3HG2 THR 78 7.739 4.005 9.709 414 H THR 79 H THR 79 7.357 6.654 5.918 415 HA THR 79 HA THR 79 6.411 4.544 4.099 416 HB THR 79 HB THR 79 7.422 5.855 2.269 417 HG1 THR 79 HG1 THR 79 8.183 7.520 4.429 418 1HG2 THR 79 1HG2 THR 79 5.070 6.230 2.827 419 2HG2 THR 79 2HG2 THR 79 5.830 7.722 2.274 420 3HG2 THR 79 3HG2 THR 79 5.536 7.468 3.993 421 H ASP 80 H ASP 80 8.211 3.788 2.560 422 HA ASP 80 HA ASP 80 10.169 2.446 4.058 423 1HB ASP 80 1HB ASP 80 9.256 1.761 1.812 424 2HB ASP 80 2HB ASP 80 10.263 3.014 1.091 425 H GLN 81 H GLN 81 10.139 5.624 2.755 426 HA GLN 81 HA GLN 81 13.066 5.787 2.969 427 1HB GLN 81 1HB GLN 81 11.176 7.206 1.104 428 2HB GLN 81 2HB GLN 81 12.863 7.661 1.304 429 1HG GLN 81 1HG GLN 81 13.575 5.479 0.528 430 2HG GLN 81 2HG GLN 81 11.896 4.959 0.392 431 1HE2 GLN 81 1HE2 GLN 81 12.815 8.176 -0.430 432 2HE2 GLN 81 2HE2 GLN 81 12.657 8.016 -2.141 433 H GLY 82 H GLY 82 10.741 6.435 4.916 434 1HA GLY 82 1HA GLY 82 11.902 8.171 6.559 435 2HA GLY 82 2HA GLY 82 11.272 9.273 5.348 436 H THR 83 H THR 83 10.543 9.482 7.972 437 HA THR 83 HA THR 83 7.815 8.385 8.114 438 HB THR 83 HB THR 83 9.296 9.734 10.366 439 HG1 THR 83 HG1 THR 83 10.485 8.011 10.624 440 1HG2 THR 83 1HG2 THR 83 7.808 8.418 11.774 441 2HG2 THR 83 2HG2 THR 83 7.111 7.650 10.348 442 3HG2 THR 83 3HG2 THR 83 6.873 9.377 10.625 443 H PHE 84 H PHE 84 6.066 9.788 8.131 444 HA PHE 84 HA PHE 84 6.634 12.656 8.449 445 1HB PHE 84 1HB PHE 84 4.679 11.625 6.399 446 2HB PHE 84 2HB PHE 84 5.263 13.267 6.598 447 HD1 PHE 84 HD1 PHE 84 7.665 13.780 6.044 448 HD2 PHE 84 HD2 PHE 84 5.794 10.101 4.996 449 HE1 PHE 84 HE1 PHE 84 9.414 13.372 4.365 450 HE2 PHE 84 HE2 PHE 84 7.541 9.690 3.316 451 HZ PHE 84 HZ PHE 84 9.353 11.327 2.999 452 H HIS 85 H HIS 85 5.001 13.842 9.422 453 HA HIS 85 HA HIS 85 2.536 12.402 10.067 454 1HB HIS 85 1HB HIS 85 2.524 13.658 12.278 455 2HB HIS 85 2HB HIS 85 3.619 12.299 12.145 456 HD1 HIS 85 HD1 HIS 85 5.951 12.735 12.864 457 HD2 HIS 85 HD2 HIS 85 3.894 16.246 12.007 458 HE1 HIS 85 HE1 HIS 85 7.492 14.604 13.536 459 HE2 HIS 85 HE2 HIS 85 6.118 16.696 13.249 460 H LEU 86 H LEU 86 0.794 13.429 9.471 461 HA LEU 86 HA LEU 86 0.945 16.296 8.924 462 1HB LEU 86 1HB LEU 86 -0.374 15.873 6.874 463 2HB LEU 86 2HB LEU 86 1.255 15.252 6.812 464 HG LEU 86 HG LEU 86 -1.037 13.453 7.540 465 1HD1 LEU 86 1HD1 LEU 86 -1.668 14.548 5.453 466 2HD1 LEU 86 2HD1 LEU 86 -1.246 12.857 5.176 467 3HD1 LEU 86 3HD1 LEU 86 -0.103 14.135 4.755 468 1HD2 LEU 86 1HD2 LEU 86 1.616 12.969 6.180 469 2HD2 LEU 86 2HD2 LEU 86 0.430 11.737 6.610 470 3HD2 LEU 86 3HD2 LEU 86 1.259 12.643 7.876 471 H LYS 87 H LYS 87 -1.095 17.370 8.827 472 HA LYS 87 HA LYS 87 -3.088 16.165 10.592 473 1HB LYS 87 1HB LYS 87 -2.349 18.473 11.040 474 2HB LYS 87 2HB LYS 87 -2.901 18.960 9.444 475 1HG LYS 87 1HG LYS 87 -5.206 18.169 10.181 476 2HG LYS 87 2HG LYS 87 -4.541 18.135 11.815 477 1HD LYS 87 1HD LYS 87 -5.668 20.248 11.398 478 2HD LYS 87 2HD LYS 87 -3.934 20.503 11.605 479 1HE LYS 87 1HE LYS 87 -3.642 20.625 9.196 480 2HE LYS 87 2HE LYS 87 -5.356 20.299 8.953 481 1HZ LYS 87 1HZ LYS 87 -4.261 22.676 10.364 482 2HZ LYS 87 2HZ LYS 87 -5.895 22.373 10.016 483 3HZ LYS 87 3HZ LYS 87 -4.798 22.658 8.754 484 H THR 88 H THR 88 -5.034 15.459 9.920 485 HA THR 88 HA THR 88 -5.527 15.169 7.121 486 HB THR 88 HB THR 88 -7.724 14.204 7.890 487 HG1 THR 88 HG1 THR 88 -7.759 13.805 10.242 488 1HG2 THR 88 1HG2 THR 88 -5.770 12.783 7.533 489 2HG2 THR 88 2HG2 THR 88 -6.714 12.209 8.910 490 3HG2 THR 88 3HG2 THR 88 -5.220 13.109 9.178 491 H GLY 89 H GLY 89 -7.046 16.161 5.818 492 1HA GLY 89 1HA GLY 89 -8.920 18.064 6.941 493 2HA GLY 89 2HA GLY 89 -7.664 18.773 5.947 494 H ARG 90 H ARG 90 -10.687 17.393 5.965 495 HA ARG 90 HA ARG 90 -10.764 17.362 3.060 496 1HB ARG 90 1HB ARG 90 -10.377 15.062 3.559 497 2HB ARG 90 2HB ARG 90 -11.574 15.077 4.841 498 1HG ARG 90 1HG ARG 90 -12.470 13.906 2.972 499 2HG ARG 90 2HG ARG 90 -13.332 15.437 3.131 500 1HD ARG 90 1HD ARG 90 -10.964 15.239 1.321 501 2HD ARG 90 2HD ARG 90 -12.520 14.611 0.810 502 HE ARG 90 HE ARG 90 -13.017 17.164 1.694 503 1HH1 ARG 90 1HH1 ARG 90 -11.090 15.651 -0.803 504 2HH1 ARG 90 2HH1 ARG 90 -11.134 17.037 -1.861 505 1HH2 ARG 90 1HH2 ARG 90 -13.118 18.985 0.289 506 2HH2 ARG 90 2HH2 ARG 90 -12.272 18.935 -1.231 507 H ASN 91 H ASN 91 -12.060 19.165 3.026 508 HA ASN 91 HA ASN 91 -14.699 18.866 4.290 509 1HB ASN 91 1HB ASN 91 -13.481 20.903 4.943 510 2HB ASN 91 2HB ASN 91 -13.353 21.373 3.251 511 1HD2 ASN 91 1HD2 ASN 91 -15.508 20.936 5.953 512 2HD2 ASN 91 2HD2 ASN 91 -16.812 21.891 5.326 513 HA PRO 92 HA PRO 92 -15.990 18.471 -0.011 514 1HB PRO 92 1HB PRO 92 -17.813 16.570 0.392 515 2HB PRO 92 2HB PRO 92 -16.086 16.194 0.511 516 1HG PRO 92 1HG PRO 92 -18.106 16.522 2.669 517 2HG PRO 92 2HG PRO 92 -16.667 15.493 2.621 518 1HD PRO 92 1HD PRO 92 -16.934 18.058 3.837 519 2HD PRO 92 2HD PRO 92 -15.460 17.082 3.689 520 H ASN 93 H ASN 93 -18.749 17.883 -0.406 521 HA ASN 93 HA ASN 93 -19.947 20.453 0.233 522 1HB ASN 93 1HB ASN 93 -20.116 19.266 -2.031 523 2HB ASN 93 2HB ASN 93 -21.241 18.159 -1.258 524 1HD2 ASN 93 1HD2 ASN 93 -23.309 18.839 -0.805 525 2HD2 ASN 93 2HD2 ASN 93 -23.946 20.357 -1.338 526 H ASN 94 H ASN 94 -19.434 18.978 2.475 527 HA ASN 94 HA ASN 94 -21.923 18.897 3.795 528 1HB ASN 94 1HB ASN 94 -21.810 16.666 2.419 529 2HB ASN 94 2HB ASN 94 -20.659 16.167 3.653 530 1HD2 ASN 94 1HD2 ASN 94 -23.962 17.020 2.989 531 2HD2 ASN 94 2HD2 ASN 94 -24.636 16.396 4.458 532 H SER 95 H SER 95 -21.107 17.067 5.876 533 HA SER 95 HA SER 95 -19.338 18.720 7.335 534 1HB SER 95 1HB SER 95 -20.135 15.846 7.874 535 2HB SER 95 2HB SER 95 -19.437 16.966 9.045 536 HG SER 95 HG SER 95 -21.496 18.233 8.065 537 H SER 96 H SER 96 -17.198 18.349 7.968 538 HA SER 96 HA SER 96 -15.556 17.385 5.874 539 1HB SER 96 1HB SER 96 -14.838 18.273 8.677 540 2HB SER 96 2HB SER 96 -13.690 18.029 7.362 541 HG SER 96 HG SER 96 -15.462 20.111 7.816 542 H ARG 97 H ARG 97 -14.141 15.655 5.818 543 HA ARG 97 HA ARG 97 -14.426 13.623 7.930 544 1HB ARG 97 1HB ARG 97 -14.399 13.215 4.939 545 2HB ARG 97 2HB ARG 97 -14.060 11.915 6.073 546 1HG ARG 97 1HG ARG 97 -16.290 12.293 7.091 547 2HG ARG 97 2HG ARG 97 -16.618 13.481 5.830 548 1HD ARG 97 1HD ARG 97 -16.441 11.806 4.121 549 2HD ARG 97 2HD ARG 97 -15.897 10.606 5.295 550 HE ARG 97 HE ARG 97 -18.487 11.736 5.869 551 1HH1 ARG 97 1HH1 ARG 97 -16.786 9.235 4.111 552 2HH1 ARG 97 2HH1 ARG 97 -18.126 8.138 4.119 553 1HH2 ARG 97 1HH2 ARG 97 -20.260 10.319 5.870 554 2HH2 ARG 97 2HH2 ARG 97 -20.112 8.748 5.127 555 H ALA 98 H ALA 98 -12.538 11.899 7.529 556 HA ALA 98 HA ALA 98 -10.107 13.505 7.633 557 1HB ALA 98 1HB ALA 98 -10.529 11.976 9.472 558 2HB ALA 98 2HB ALA 98 -9.068 11.516 8.597 559 3HB ALA 98 3HB ALA 98 -10.567 10.618 8.350 560 H TYR 99 H TYR 99 -9.133 13.821 5.734 561 HA TYR 99 HA TYR 99 -8.391 11.482 4.150 562 1HB TYR 99 1HB TYR 99 -10.547 12.774 3.313 563 2HB TYR 99 2HB TYR 99 -9.358 13.908 2.690 564 HD1 TYR 99 HD1 TYR 99 -10.725 10.524 2.412 565 HD2 TYR 99 HD2 TYR 99 -7.953 13.319 0.806 566 HE1 TYR 99 HE1 TYR 99 -10.501 9.133 0.399 567 HE2 TYR 99 HE2 TYR 99 -7.714 11.934 -1.209 568 HH TYR 99 HH TYR 99 -8.024 9.567 -1.870 569 H MET 100 H MET 100 -6.305 11.650 3.440 570 HA MET 100 HA MET 100 -4.914 14.137 4.058 571 1HB MET 100 1HB MET 100 -2.841 12.873 3.796 572 2HB MET 100 2HB MET 100 -3.923 12.093 4.936 573 1HG MET 100 1HG MET 100 -3.545 11.264 2.068 574 2HG MET 100 2HG MET 100 -2.756 10.515 3.454 575 1HE MET 100 1HE MET 100 -4.188 8.594 1.581 576 2HE MET 100 2HE MET 100 -5.180 7.652 2.692 577 3HE MET 100 3HE MET 100 -3.541 8.117 3.152 578 H GLY 101 H GLY 101 -5.740 12.124 1.303 579 1HA GLY 101 1HA GLY 101 -6.248 13.229 -0.758 580 2HA GLY 101 2HA GLY 101 -5.042 14.439 -0.361 581 H ILE 102 H ILE 102 -4.746 10.887 -0.373 582 HA ILE 102 HA ILE 102 -3.077 11.099 -2.781 583 HB ILE 102 HB ILE 102 -1.378 9.619 -1.939 584 1HG1 ILE 102 1HG1 ILE 102 -2.725 9.684 0.764 585 2HG1 ILE 102 2HG1 ILE 102 -2.945 8.369 -0.390 586 1HG2 ILE 102 1HG2 ILE 102 -1.849 11.859 0.024 587 2HG2 ILE 102 2HG2 ILE 102 -1.033 11.992 -1.533 588 3HG2 ILE 102 3HG2 ILE 102 -0.317 11.023 -0.244 589 1HD1 ILE 102 1HD1 ILE 102 -0.519 7.969 -0.331 590 2HD1 ILE 102 2HD1 ILE 102 -1.291 7.766 1.244 591 3HD1 ILE 102 3HD1 ILE 102 -0.362 9.227 0.896 592 H ARG 103 H ARG 103 -2.839 9.092 -3.927 593 HA ARG 103 HA ARG 103 -5.132 7.324 -3.616 594 1HB ARG 103 1HB ARG 103 -2.913 7.381 -5.669 595 2HB ARG 103 2HB ARG 103 -4.262 6.260 -5.695 596 1HG ARG 103 1HG ARG 103 -5.807 8.153 -5.968 597 2HG ARG 103 2HG ARG 103 -4.421 9.252 -5.985 598 1HD ARG 103 1HD ARG 103 -3.512 8.088 -7.929 599 2HD ARG 103 2HD ARG 103 -4.883 6.986 -7.918 600 HE ARG 103 HE ARG 103 -6.064 9.409 -8.153 601 1HH1 ARG 103 1HH1 ARG 103 -3.412 7.861 -9.848 602 2HH1 ARG 103 2HH1 ARG 103 -3.763 8.627 -11.370 603 1HH2 ARG 103 1HH2 ARG 103 -6.548 10.397 -10.159 604 2HH2 ARG 103 2HH2 ARG 103 -5.554 10.075 -11.550 605 H THR 104 H THR 104 -5.021 5.356 -2.695 606 HA THR 104 HA THR 104 -2.353 4.353 -1.996 607 HB THR 104 HB THR 104 -3.761 2.957 -0.306 608 HG1 THR 104 HG1 THR 104 -5.496 5.040 -0.034 609 1HG2 THR 104 1HG2 THR 104 -2.148 4.687 0.337 610 2HG2 THR 104 2HG2 THR 104 -3.585 4.756 1.356 611 3HG2 THR 104 3HG2 THR 104 -3.367 5.931 0.059 612 H SER 105 H SER 105 -1.685 2.617 -3.010 613 HA SER 105 HA SER 105 -3.685 0.786 -4.150 614 1HB SER 105 1HB SER 105 -0.872 1.335 -5.137 615 2HB SER 105 2HB SER 105 -2.020 0.210 -5.862 616 HG SER 105 HG SER 105 -1.849 2.406 -6.802 617 H ASN 106 H ASN 106 -2.881 -1.484 -4.301 618 HA ASN 106 HA ASN 106 -1.612 -2.211 -1.781 619 1HB ASN 106 1HB ASN 106 -3.836 -3.189 -2.995 620 2HB ASN 106 2HB ASN 106 -2.631 -4.321 -3.593 621 1HD2 ASN 106 1HD2 ASN 106 -2.605 -2.740 -0.449 622 2HD2 ASN 106 2HD2 ASN 106 -2.819 -4.180 0.470 623 H HIS 107 H HIS 107 -1.153 -2.283 -5.187 624 HA HIS 107 HA HIS 107 0.350 -3.241 -6.610 625 1HB HIS 107 1HB HIS 107 1.554 -1.303 -5.499 626 2HB HIS 107 2HB HIS 107 2.364 -2.494 -4.491 627 HD1 HIS 107 HD1 HIS 107 2.369 -1.000 -7.877 628 HD2 HIS 107 HD2 HIS 107 4.219 -4.162 -5.898 629 HE1 HIS 107 HE1 HIS 107 4.273 -1.720 -9.364 630 HE2 HIS 107 HE2 HIS 107 5.260 -3.744 -8.233 631 H LEU 108 H LEU 108 -0.551 -5.397 -6.138 632 HA LEU 108 HA LEU 108 1.073 -7.100 -4.451 633 1HB LEU 108 1HB LEU 108 -1.392 -7.612 -6.102 634 2HB LEU 108 2HB LEU 108 -0.519 -8.892 -5.282 635 HG LEU 108 HG LEU 108 -1.716 -6.517 -3.883 636 1HD1 LEU 108 1HD1 LEU 108 -3.470 -8.069 -3.145 637 2HD1 LEU 108 2HD1 LEU 108 -2.781 -9.319 -4.183 638 3HD1 LEU 108 3HD1 LEU 108 -3.471 -7.863 -4.898 639 1HD2 LEU 108 1HD2 LEU 108 0.129 -7.501 -2.665 640 2HD2 LEU 108 2HD2 LEU 108 -0.569 -9.107 -2.862 641 3HD2 LEU 108 3HD2 LEU 108 -1.392 -7.906 -1.868 642 H ARG 109 H ARG 109 1.141 -9.438 -5.684 643 HA ARG 109 HA ARG 109 3.320 -9.083 -7.516 644 1HB ARG 109 1HB ARG 109 3.374 -11.588 -7.491 645 2HB ARG 109 2HB ARG 109 3.492 -10.840 -5.904 646 1HG ARG 109 1HG ARG 109 1.027 -11.240 -5.641 647 2HG ARG 109 2HG ARG 109 1.104 -12.205 -7.118 648 1HD ARG 109 1HD ARG 109 2.696 -13.709 -6.091 649 2HD ARG 109 2HD ARG 109 2.757 -12.702 -4.644 650 HE ARG 109 HE ARG 109 0.450 -14.316 -5.504 651 1HH1 ARG 109 1HH1 ARG 109 2.222 -12.572 -3.031 652 2HH1 ARG 109 2HH1 ARG 109 1.225 -13.159 -1.730 653 1HH2 ARG 109 1HH2 ARG 109 -0.865 -15.090 -3.773 654 2HH2 ARG 109 2HH2 ARG 109 -0.536 -14.564 -2.149 655 H VAL 110 H VAL 110 3.402 -10.473 -9.554 656 HA VAL 110 HA VAL 110 1.089 -9.689 -11.138 657 HB VAL 110 HB VAL 110 3.293 -9.037 -11.944 658 1HG1 VAL 110 1HG1 VAL 110 3.878 -11.985 -12.171 659 2HG1 VAL 110 2HG1 VAL 110 4.620 -10.862 -11.032 660 3HG1 VAL 110 3HG1 VAL 110 4.905 -10.681 -12.763 661 1HG2 VAL 110 1HG2 VAL 110 1.989 -11.106 -13.706 662 2HG2 VAL 110 2HG2 VAL 110 3.129 -9.872 -14.242 663 3HG2 VAL 110 3HG2 VAL 110 1.561 -9.398 -13.595 664 H ARG 111 H ARG 111 -0.200 -11.044 -12.258 665 HA ARG 111 HA ARG 111 0.232 -13.944 -11.948 666 1HB ARG 111 1HB ARG 111 -1.645 -13.145 -10.568 667 2HB ARG 111 2HB ARG 111 -2.384 -12.415 -11.983 668 1HG ARG 111 1HG ARG 111 -3.580 -14.368 -11.729 669 2HG ARG 111 2HG ARG 111 -2.377 -14.811 -12.941 670 1HD ARG 111 1HD ARG 111 -1.854 -15.274 -10.031 671 2HD ARG 111 2HD ARG 111 -2.839 -16.408 -10.949 672 HE ARG 111 HE ARG 111 -0.829 -16.624 -12.441 673 1HH1 ARG 111 1HH1 ARG 111 -0.486 -15.631 -9.110 674 2HH1 ARG 111 2HH1 ARG 111 1.080 -16.354 -8.908 675 1HH2 ARG 111 1HH2 ARG 111 1.200 -17.631 -12.186 676 2HH2 ARG 111 2HH2 ARG 111 2.031 -17.527 -10.654 677 H ASP 112 H ASP 112 0.490 -14.957 -13.835 678 HA ASP 112 HA ASP 112 -0.808 -13.831 -16.231 679 1HB ASP 112 1HB ASP 112 1.616 -13.683 -16.445 680 2HB ASP 112 2HB ASP 112 1.787 -15.384 -16.030 681 H SER 113 H SER 113 -2.510 -15.006 -16.740 682 HA SER 113 HA SER 113 -2.225 -17.903 -16.859 683 1HB SER 113 1HB SER 113 -4.571 -18.113 -15.897 684 2HB SER 113 2HB SER 113 -3.312 -17.658 -14.750 685 HG SER 113 HG SER 113 -4.986 -15.791 -16.083 686 H VAL 114 H VAL 114 -2.399 -18.193 -18.993 687 HA VAL 114 HA VAL 114 -4.125 -16.570 -20.617 688 HB VAL 114 HB VAL 114 -3.403 -17.997 -22.488 689 1HG1 VAL 114 1HG1 VAL 114 -2.022 -16.103 -21.847 690 2HG1 VAL 114 2HG1 VAL 114 -1.020 -17.438 -22.419 691 3HG1 VAL 114 3HG1 VAL 114 -1.152 -17.111 -20.690 692 1HG2 VAL 114 1HG2 VAL 114 -3.268 -20.132 -21.299 693 2HG2 VAL 114 2HG2 VAL 114 -1.873 -19.539 -20.395 694 3HG2 VAL 114 3HG2 VAL 114 -1.762 -19.770 -22.142 695 H ALA 115 H ALA 115 -5.894 -17.294 -21.854 696 HA ALA 115 HA ALA 115 -7.086 -19.868 -21.250 697 1HB ALA 115 1HB ALA 115 -9.206 -18.931 -20.490 698 2HB ALA 115 2HB ALA 115 -8.528 -17.304 -20.571 699 3HB ALA 115 3HB ALA 115 -7.890 -18.470 -19.410 700 H SER 116 H SER 116 -8.263 -20.611 -22.929 701 HA SER 116 HA SER 116 -8.594 -18.778 -25.203 702 1HB SER 116 1HB SER 116 -8.564 -21.807 -25.222 703 2HB SER 116 2HB SER 116 -8.562 -20.745 -26.631 704 HG SER 116 HG SER 116 -6.516 -21.132 -24.706 705 H VAL 117 H VAL 117 -10.537 -17.935 -24.249 706 HA VAL 117 HA VAL 117 -12.822 -19.784 -24.394 707 HB VAL 117 HB VAL 117 -12.653 -17.244 -22.777 708 1HG1 VAL 117 1HG1 VAL 117 -14.725 -18.018 -21.748 709 2HG1 VAL 117 2HG1 VAL 117 -14.720 -19.444 -22.785 710 3HG1 VAL 117 3HG1 VAL 117 -14.921 -17.842 -23.492 711 1HG2 VAL 117 1HG2 VAL 117 -12.539 -18.711 -20.802 712 2HG2 VAL 117 2HG2 VAL 117 -11.135 -18.902 -21.849 713 3HG2 VAL 117 3HG2 VAL 117 -12.417 -20.112 -21.862 714 H LEU 118 H LEU 118 -13.900 -19.492 -26.205 715 HA LEU 118 HA LEU 118 -13.884 -16.950 -27.596 716 1HB LEU 118 1HB LEU 118 -15.199 -19.598 -28.229 717 2HB LEU 118 2HB LEU 118 -15.323 -18.182 -29.249 718 HG LEU 118 HG LEU 118 -13.695 -19.592 -30.222 719 1HD1 LEU 118 1HD1 LEU 118 -12.252 -17.423 -28.719 720 2HD1 LEU 118 2HD1 LEU 118 -13.138 -17.222 -30.230 721 3HD1 LEU 118 3HD1 LEU 118 -11.688 -18.224 -30.187 722 1HD2 LEU 118 1HD2 LEU 118 -13.219 -21.015 -28.314 723 2HD2 LEU 118 2HD2 LEU 118 -12.325 -19.705 -27.542 724 3HD2 LEU 118 3HD2 LEU 118 -11.728 -20.418 -29.042 725 H GLY 119 H GLY 119 -15.983 -18.831 -25.570 726 1HA GLY 119 1HA GLY 119 -17.611 -17.662 -24.228 727 2HA GLY 119 2HA GLY 119 -17.888 -16.581 -25.588 728 H ASP 120 H ASP 120 -17.854 -18.869 -27.471 729 HA ASP 120 HA ASP 120 -20.626 -19.707 -27.011 730 1HB ASP 120 1HB ASP 120 -18.954 -19.513 -29.513 731 2HB ASP 120 2HB ASP 120 -20.510 -20.333 -29.480 732 H THR 121 H THR 121 -21.193 -21.791 -26.829 733 HA THR 121 HA THR 121 -19.097 -23.820 -27.099 734 HB THR 121 HB THR 121 -20.453 -23.871 -25.016 735 HG1 THR 121 HG1 THR 121 -19.685 -25.861 -25.530 736 1HG2 THR 121 1HG2 THR 121 -22.755 -24.522 -26.862 737 2HG2 THR 121 2HG2 THR 121 -22.573 -23.046 -25.915 738 3HG2 THR 121 3HG2 THR 121 -22.795 -24.595 -25.099 739 H LEU 122 H LEU 122 -19.241 -25.464 -28.621 740 HA LEU 122 HA LEU 122 -21.069 -24.864 -30.822 741 1HB LEU 122 1HB LEU 122 -18.607 -26.607 -30.709 742 2HB LEU 122 2HB LEU 122 -19.586 -26.355 -32.144 743 HG LEU 122 HG LEU 122 -18.072 -24.193 -30.673 744 1HD1 LEU 122 1HD1 LEU 122 -16.564 -25.727 -31.797 745 2HD1 LEU 122 2HD1 LEU 122 -16.621 -24.178 -32.643 746 3HD1 LEU 122 3HD1 LEU 122 -17.493 -25.569 -33.288 747 1HD2 LEU 122 1HD2 LEU 122 -19.596 -24.107 -33.278 748 2HD2 LEU 122 2HD2 LEU 122 -18.641 -22.792 -32.594 749 3HD2 LEU 122 3HD2 LEU 122 -20.093 -23.351 -31.764 750 HA PRO 123 HA PRO 123 -23.940 -27.975 -29.597 751 1HB PRO 123 1HB PRO 123 -24.605 -28.581 -32.295 752 2HB PRO 123 2HB PRO 123 -25.476 -27.524 -31.184 753 1HG PRO 123 1HG PRO 123 -23.523 -26.844 -33.305 754 2HG PRO 123 2HG PRO 123 -24.871 -25.887 -32.667 755 1HD PRO 123 1HD PRO 123 -22.323 -25.292 -32.076 756 2HD PRO 123 2HD PRO 123 -23.622 -25.094 -30.880 757 H PHE 124 H PHE 124 -23.543 -29.976 -29.028 758 HA PHE 124 HA PHE 124 -21.402 -31.462 -30.272 759 1HB PHE 124 1HB PHE 124 -23.241 -32.219 -27.988 760 2HB PHE 124 2HB PHE 124 -21.777 -33.075 -28.457 761 HD1 PHE 124 HD1 PHE 124 -23.156 -30.379 -26.538 762 HD2 PHE 124 HD2 PHE 124 -19.562 -31.896 -28.235 763 HE1 PHE 124 HE1 PHE 124 -21.843 -28.957 -25.021 764 HE2 PHE 124 HE2 PHE 124 -18.243 -30.476 -26.719 765 HZ PHE 124 HZ PHE 124 -19.385 -29.006 -25.109 766 H ALA 125 H ALA 125 -21.657 -32.870 -31.867 767 HA ALA 125 HA ALA 125 -23.959 -34.606 -31.986 768 1HB ALA 125 1HB ALA 125 -24.814 -32.655 -33.163 769 2HB ALA 125 2HB ALA 125 -24.573 -33.996 -34.282 770 3HB ALA 125 3HB ALA 125 -23.412 -32.668 -34.235 Start of MODEL 10 1 H GLN 23 H GLN 23 -3.827 -12.597 -2.362 2 HA GLN 23 HA GLN 23 -5.232 -10.411 -1.240 3 1HB GLN 23 1HB GLN 23 -3.209 -12.263 0.033 4 2HB GLN 23 2HB GLN 23 -4.309 -11.205 0.903 5 1HG GLN 23 1HG GLN 23 -6.203 -12.451 0.146 6 2HG GLN 23 2HG GLN 23 -5.190 -13.423 -0.923 7 1HE2 GLN 23 1HE2 GLN 23 -6.149 -12.815 2.347 8 2HE2 GLN 23 2HE2 GLN 23 -5.435 -14.236 3.043 9 HA PRO 24 HA PRO 24 -2.154 -7.199 -1.294 10 1HB PRO 24 1HB PRO 24 -3.412 -6.326 1.241 11 2HB PRO 24 2HB PRO 24 -3.196 -5.439 -0.272 12 1HG PRO 24 1HG PRO 24 -5.599 -6.337 0.459 13 2HG PRO 24 2HG PRO 24 -5.086 -6.370 -1.238 14 1HD PRO 24 1HD PRO 24 -5.186 -8.605 0.756 15 2HD PRO 24 2HD PRO 24 -5.638 -8.607 -0.962 16 H ASP 25 H ASP 25 -0.647 -6.116 0.318 17 HA ASP 25 HA ASP 25 0.315 -7.718 2.487 18 1HB ASP 25 1HB ASP 25 2.511 -8.284 1.424 19 2HB ASP 25 2HB ASP 25 1.151 -9.161 0.737 20 H GLY 26 H GLY 26 -0.437 -5.012 1.801 21 1HA GLY 26 1HA GLY 26 0.798 -3.265 3.193 22 2HA GLY 26 2HA GLY 26 2.104 -3.552 2.046 23 H VAL 27 H VAL 27 0.778 -1.053 2.475 24 HA VAL 27 HA VAL 27 -0.575 -0.740 -0.125 25 HB VAL 27 HB VAL 27 -1.604 1.304 0.783 26 1HG1 VAL 27 1HG1 VAL 27 -2.065 -1.149 2.482 27 2HG1 VAL 27 2HG1 VAL 27 -2.829 -0.797 0.931 28 3HG1 VAL 27 3HG1 VAL 27 -3.168 0.218 2.332 29 1HG2 VAL 27 1HG2 VAL 27 0.088 1.924 2.395 30 2HG2 VAL 27 2HG2 VAL 27 -0.257 0.485 3.353 31 3HG2 VAL 27 3HG2 VAL 27 -1.469 1.756 3.203 32 H GLN 28 H GLN 28 0.027 0.997 -1.475 33 HA GLN 28 HA GLN 28 2.358 2.542 -0.554 34 1HB GLN 28 1HB GLN 28 3.423 2.345 -2.675 35 2HB GLN 28 2HB GLN 28 3.011 0.727 -2.159 36 1HG GLN 28 1HG GLN 28 2.384 0.603 -4.333 37 2HG GLN 28 2HG GLN 28 0.871 1.161 -3.628 38 1HE2 GLN 28 1HE2 GLN 28 3.711 3.182 -4.117 39 2HE2 GLN 28 2HE2 GLN 28 3.003 4.192 -5.320 40 H ILE 29 H ILE 29 2.552 4.664 -1.534 41 HA ILE 29 HA ILE 29 -0.061 5.797 -2.033 42 HB ILE 29 HB ILE 29 1.338 7.972 -2.258 43 1HG1 ILE 29 1HG1 ILE 29 3.287 6.177 -0.796 44 2HG1 ILE 29 2HG1 ILE 29 3.548 6.933 -2.365 45 1HG2 ILE 29 1HG2 ILE 29 0.917 6.491 0.317 46 2HG2 ILE 29 2HG2 ILE 29 -0.210 7.571 -0.509 47 3HG2 ILE 29 3HG2 ILE 29 1.274 8.214 0.198 48 1HD1 ILE 29 1HD1 ILE 29 3.430 9.141 -1.299 49 2HD1 ILE 29 2HD1 ILE 29 4.727 8.143 -0.638 50 3HD1 ILE 29 3HD1 ILE 29 3.226 8.356 0.265 51 H ASP 30 H ASP 30 -0.878 5.742 -3.893 52 HA ASP 30 HA ASP 30 0.459 5.168 -6.293 53 1HB ASP 30 1HB ASP 30 -1.916 4.669 -5.853 54 2HB ASP 30 2HB ASP 30 -2.269 6.382 -5.850 55 H SER 31 H SER 31 -1.131 8.150 -5.175 56 HA SER 31 HA SER 31 0.655 9.743 -6.814 57 1HB SER 31 1HB SER 31 -2.310 9.619 -7.444 58 2HB SER 31 2HB SER 31 -1.163 10.747 -8.161 59 HG SER 31 HG SER 31 -1.416 7.960 -8.539 60 H VAL 32 H VAL 32 0.132 12.071 -6.667 61 HA VAL 32 HA VAL 32 -1.213 12.744 -4.131 62 HB VAL 32 HB VAL 32 1.082 14.158 -5.510 63 1HG1 VAL 32 1HG1 VAL 32 1.115 15.649 -3.564 64 2HG1 VAL 32 2HG1 VAL 32 -0.336 14.861 -2.941 65 3HG1 VAL 32 3HG1 VAL 32 -0.403 15.768 -4.452 66 1HG2 VAL 32 1HG2 VAL 32 0.973 12.658 -2.904 67 2HG2 VAL 32 2HG2 VAL 32 2.372 13.525 -3.540 68 3HG2 VAL 32 3HG2 VAL 32 1.747 12.113 -4.392 69 H VAL 33 H VAL 33 -2.831 14.278 -4.200 70 HA VAL 33 HA VAL 33 -3.555 15.217 -6.889 71 HB VAL 33 HB VAL 33 -5.299 15.015 -4.426 72 1HG1 VAL 33 1HG1 VAL 33 -7.159 15.390 -5.987 73 2HG1 VAL 33 2HG1 VAL 33 -5.999 15.627 -7.295 74 3HG1 VAL 33 3HG1 VAL 33 -6.046 16.759 -5.944 75 1HG2 VAL 33 1HG2 VAL 33 -5.143 13.236 -6.853 76 2HG2 VAL 33 2HG2 VAL 33 -6.349 13.115 -5.570 77 3HG2 VAL 33 3HG2 VAL 33 -4.646 12.819 -5.215 78 HA PRO 34 HA PRO 34 -2.115 19.228 -5.361 79 1HB PRO 34 1HB PRO 34 -2.963 20.017 -8.085 80 2HB PRO 34 2HB PRO 34 -1.404 20.237 -7.283 81 1HG PRO 34 1HG PRO 34 -1.712 18.435 -9.232 82 2HG PRO 34 2HG PRO 34 -0.668 18.117 -7.835 83 1HD PRO 34 1HD PRO 34 -3.433 17.120 -8.398 84 2HD PRO 34 2HD PRO 34 -2.046 16.259 -7.699 85 H GLY 35 H GLY 35 -3.407 20.430 -4.152 86 1HA GLY 35 1HA GLY 35 -5.287 22.092 -4.287 87 2HA GLY 35 2HA GLY 35 -6.205 20.783 -5.025 88 H SER 36 H SER 36 -4.711 18.921 -3.176 89 HA SER 36 HA SER 36 -6.257 19.443 -0.730 90 1HB SER 36 1HB SER 36 -5.333 16.818 -1.876 91 2HB SER 36 2HB SER 36 -6.313 17.014 -0.429 92 HG SER 36 HG SER 36 -7.377 18.307 -2.569 93 HA PRO 37 HA PRO 37 -2.578 19.472 1.738 94 1HB PRO 37 1HB PRO 37 -2.942 17.458 3.578 95 2HB PRO 37 2HB PRO 37 -3.666 19.065 3.693 96 1HG PRO 37 1HG PRO 37 -4.863 16.513 2.693 97 2HG PRO 37 2HG PRO 37 -5.591 17.772 3.710 98 1HD PRO 37 1HD PRO 37 -6.141 17.594 1.095 99 2HD PRO 37 2HD PRO 37 -6.003 19.165 1.909 100 H ALA 38 H ALA 38 -0.744 18.121 2.600 101 HA ALA 38 HA ALA 38 0.934 16.620 2.397 102 1HB ALA 38 1HB ALA 38 -0.756 14.872 2.566 103 2HB ALA 38 2HB ALA 38 0.553 14.412 1.480 104 3HB ALA 38 3HB ALA 38 -0.997 14.930 0.819 105 H SER 39 H SER 39 -0.506 18.148 -0.217 106 HA SER 39 HA SER 39 1.058 17.176 -2.361 107 1HB SER 39 1HB SER 39 -0.397 19.809 -2.049 108 2HB SER 39 2HB SER 39 0.241 19.173 -3.563 109 HG SER 39 HG SER 39 -1.990 18.383 -2.091 110 H LYS 40 H LYS 40 2.178 18.731 0.265 111 HA LYS 40 HA LYS 40 4.506 19.715 -1.192 112 1HB LYS 40 1HB LYS 40 2.882 21.621 -0.742 113 2HB LYS 40 2HB LYS 40 3.191 21.371 0.969 114 1HG LYS 40 1HG LYS 40 4.518 23.207 0.122 115 2HG LYS 40 2HG LYS 40 5.560 21.872 0.614 116 1HD LYS 40 1HD LYS 40 5.840 21.192 -1.693 117 2HD LYS 40 2HD LYS 40 4.704 22.436 -2.224 118 1HE LYS 40 1HE LYS 40 6.206 24.176 -1.455 119 2HE LYS 40 2HE LYS 40 7.313 22.967 -0.805 120 1HZ LYS 40 1HZ LYS 40 6.614 23.278 -3.680 121 2HZ LYS 40 2HZ LYS 40 7.711 22.160 -3.030 122 3HZ LYS 40 3HZ LYS 40 8.049 23.820 -2.955 123 H VAL 41 H VAL 41 3.658 17.462 0.648 124 HA VAL 41 HA VAL 41 5.707 17.874 2.729 125 HB VAL 41 HB VAL 41 3.179 16.231 2.946 126 1HG1 VAL 41 1HG1 VAL 41 3.865 15.751 5.228 127 2HG1 VAL 41 2HG1 VAL 41 5.365 16.645 4.984 128 3HG1 VAL 41 3HG1 VAL 41 5.068 15.156 4.085 129 1HG2 VAL 41 1HG2 VAL 41 2.745 18.598 3.195 130 2HG2 VAL 41 2HG2 VAL 41 4.048 18.736 4.377 131 3HG2 VAL 41 3HG2 VAL 41 2.608 17.792 4.758 132 H LEU 42 H LEU 42 3.926 15.205 1.161 133 HA LEU 42 HA LEU 42 6.325 13.568 1.433 134 1HB LEU 42 1HB LEU 42 4.666 11.734 0.707 135 2HB LEU 42 2HB LEU 42 4.620 12.359 2.336 136 HG LEU 42 HG LEU 42 2.741 13.892 1.538 137 1HD1 LEU 42 1HD1 LEU 42 2.743 11.945 -0.763 138 2HD1 LEU 42 2HD1 LEU 42 3.099 13.670 -0.855 139 3HD1 LEU 42 3HD1 LEU 42 1.482 13.126 -0.407 140 1HD2 LEU 42 1HD2 LEU 42 1.067 12.146 1.808 141 2HD2 LEU 42 2HD2 LEU 42 2.387 11.956 2.962 142 3HD2 LEU 42 3HD2 LEU 42 2.300 10.915 1.541 143 H THR 43 H THR 43 6.329 11.775 -0.340 144 HA THR 43 HA THR 43 6.105 13.054 -2.979 145 HB THR 43 HB THR 43 8.158 11.658 -3.578 146 HG1 THR 43 HG1 THR 43 8.182 10.352 -1.695 147 1HG2 THR 43 1HG2 THR 43 8.236 14.101 -3.309 148 2HG2 THR 43 2HG2 THR 43 9.722 13.337 -2.750 149 3HG2 THR 43 3HG2 THR 43 8.526 13.896 -1.582 150 HA PRO 44 HA PRO 44 3.623 9.462 -3.739 151 1HB PRO 44 1HB PRO 44 3.469 9.647 -6.449 152 2HB PRO 44 2HB PRO 44 2.556 10.699 -5.358 153 1HG PRO 44 1HG PRO 44 5.122 11.244 -6.803 154 2HG PRO 44 2HG PRO 44 3.708 12.296 -6.599 155 1HD PRO 44 1HD PRO 44 5.933 12.564 -5.090 156 2HD PRO 44 2HD PRO 44 4.312 12.899 -4.451 157 H GLY 45 H GLY 45 3.731 7.367 -4.740 158 1HA GLY 45 1HA GLY 45 4.804 5.655 -5.950 159 2HA GLY 45 2HA GLY 45 6.228 6.667 -6.089 160 H LEU 46 H LEU 46 5.334 6.774 -2.899 161 HA LEU 46 HA LEU 46 7.402 4.828 -2.228 162 1HB LEU 46 1HB LEU 46 5.951 6.822 -0.486 163 2HB LEU 46 2HB LEU 46 7.256 5.780 0.046 164 HG LEU 46 HG LEU 46 7.478 7.963 -2.027 165 1HD1 LEU 46 1HD1 LEU 46 8.546 7.796 0.789 166 2HD1 LEU 46 2HD1 LEU 46 7.199 8.803 0.256 167 3HD1 LEU 46 3HD1 LEU 46 8.825 9.109 -0.354 168 1HD2 LEU 46 1HD2 LEU 46 9.883 7.513 -1.929 169 2HD2 LEU 46 2HD2 LEU 46 8.983 6.109 -2.502 170 3HD2 LEU 46 3HD2 LEU 46 9.582 6.156 -0.843 171 H VAL 47 H VAL 47 7.028 3.478 -0.231 172 HA VAL 47 HA VAL 47 4.319 2.321 -0.318 173 HB VAL 47 HB VAL 47 6.889 1.008 0.602 174 1HG1 VAL 47 1HG1 VAL 47 4.131 -0.122 0.150 175 2HG1 VAL 47 2HG1 VAL 47 4.959 0.059 1.696 176 3HG1 VAL 47 3HG1 VAL 47 5.572 -1.078 0.494 177 1HG2 VAL 47 1HG2 VAL 47 6.962 1.441 -1.788 178 2HG2 VAL 47 2HG2 VAL 47 5.389 0.665 -1.994 179 3HG2 VAL 47 3HG2 VAL 47 6.782 -0.283 -1.470 180 H ILE 48 H ILE 48 3.179 2.056 1.574 181 HA ILE 48 HA ILE 48 4.258 3.444 3.941 182 HB ILE 48 HB ILE 48 1.398 2.694 3.318 183 1HG1 ILE 48 1HG1 ILE 48 2.746 5.392 3.088 184 2HG1 ILE 48 2HG1 ILE 48 2.315 4.362 1.725 185 1HG2 ILE 48 1HG2 ILE 48 2.564 4.472 5.454 186 2HG2 ILE 48 2HG2 ILE 48 1.800 2.899 5.692 187 3HG2 ILE 48 3HG2 ILE 48 0.843 4.267 5.124 188 1HD1 ILE 48 1HD1 ILE 48 0.690 6.129 2.019 189 2HD1 ILE 48 2HD1 ILE 48 0.403 5.621 3.683 190 3HD1 ILE 48 3HD1 ILE 48 -0.048 4.563 2.347 191 H GLU 49 H GLU 49 4.603 2.394 5.798 192 HA GLU 49 HA GLU 49 4.105 -0.476 5.847 193 1HB GLU 49 1HB GLU 49 6.308 0.612 6.563 194 2HB GLU 49 2HB GLU 49 5.454 1.139 7.998 195 1HG GLU 49 1HG GLU 49 4.892 -1.237 8.473 196 2HG GLU 49 2HG GLU 49 5.921 -1.699 7.119 197 H SER 50 H SER 50 3.356 2.441 7.735 198 HA SER 50 HA SER 50 1.078 1.063 8.893 199 1HB SER 50 1HB SER 50 1.842 1.586 11.231 200 2HB SER 50 2HB SER 50 2.788 0.347 10.406 201 HG SER 50 HG SER 50 4.369 1.607 11.074 202 H ILE 51 H ILE 51 -0.360 2.350 10.080 203 HA ILE 51 HA ILE 51 -0.011 5.261 9.682 204 HB ILE 51 HB ILE 51 -2.588 3.690 9.842 205 1HG1 ILE 51 1HG1 ILE 51 -1.292 5.218 7.577 206 2HG1 ILE 51 2HG1 ILE 51 -1.537 3.473 7.665 207 1HG2 ILE 51 1HG2 ILE 51 -3.708 5.843 9.439 208 2HG2 ILE 51 2HG2 ILE 51 -2.153 6.664 9.571 209 3HG2 ILE 51 3HG2 ILE 51 -2.830 5.824 10.968 210 1HD1 ILE 51 1HD1 ILE 51 -3.944 3.811 7.597 211 2HD1 ILE 51 2HD1 ILE 51 -3.160 4.548 6.201 212 3HD1 ILE 51 3HD1 ILE 51 -3.708 5.557 7.543 213 H ASN 52 H ASN 52 0.438 6.271 11.487 214 HA ASN 52 HA ASN 52 0.378 7.022 13.619 215 1HB ASN 52 1HB ASN 52 -2.063 7.079 13.268 216 2HB ASN 52 2HB ASN 52 -2.171 5.425 13.850 217 1HD2 ASN 52 1HD2 ASN 52 -1.661 8.742 14.723 218 2HD2 ASN 52 2HD2 ASN 52 -1.820 8.531 16.429 219 H GLY 53 H GLY 53 -1.166 3.939 14.389 220 1HA GLY 53 1HA GLY 53 1.387 2.963 15.464 221 2HA GLY 53 2HA GLY 53 -0.018 3.024 16.521 222 H MET 54 H MET 54 -1.097 2.423 13.461 223 HA MET 54 HA MET 54 -1.090 -0.489 13.916 224 1HB MET 54 1HB MET 54 -3.331 1.220 12.808 225 2HB MET 54 2HB MET 54 -3.356 -0.534 12.913 226 1HG MET 54 1HG MET 54 -3.249 -0.406 15.338 227 2HG MET 54 2HG MET 54 -3.176 1.354 15.253 228 1HE MET 54 1HE MET 54 -5.184 2.846 14.261 229 2HE MET 54 2HE MET 54 -6.725 2.171 13.726 230 3HE MET 54 3HE MET 54 -5.253 1.846 12.810 231 HA PRO 55 HA PRO 55 0.746 -0.307 9.870 232 1HB PRO 55 1HB PRO 55 1.167 -2.931 9.547 233 2HB PRO 55 2HB PRO 55 2.148 -1.952 10.638 234 1HG PRO 55 1HG PRO 55 -0.128 -3.787 11.274 235 2HG PRO 55 2HG PRO 55 1.407 -3.571 12.134 236 1HD PRO 55 1HD PRO 55 -0.950 -2.428 12.921 237 2HD PRO 55 2HD PRO 55 0.645 -1.735 13.274 238 H THR 56 H THR 56 0.054 -0.533 7.790 239 HA THR 56 HA THR 56 -2.611 -1.730 7.463 240 HB THR 56 HB THR 56 -2.750 -0.167 5.450 241 HG1 THR 56 HG1 THR 56 -0.477 0.334 5.433 242 1HG2 THR 56 1HG2 THR 56 -3.392 1.759 6.842 243 2HG2 THR 56 2HG2 THR 56 -2.565 1.032 8.220 244 3HG2 THR 56 3HG2 THR 56 -3.981 0.243 7.527 245 H SER 57 H SER 57 -2.085 -3.771 6.839 246 HA SER 57 HA SER 57 -0.179 -4.193 4.690 247 1HB SER 57 1HB SER 57 -0.835 -6.650 5.190 248 2HB SER 57 2HB SER 57 0.072 -5.765 6.417 249 HG SER 57 HG SER 57 -1.537 -6.507 7.609 250 H ASN 58 H ASN 58 -3.520 -3.741 5.031 251 HA ASN 58 HA ASN 58 -3.895 -4.687 2.268 252 1HB ASN 58 1HB ASN 58 -5.908 -4.975 4.531 253 2HB ASN 58 2HB ASN 58 -6.213 -5.364 2.844 254 1HD2 ASN 58 1HD2 ASN 58 -4.591 -6.311 5.753 255 2HD2 ASN 58 2HD2 ASN 58 -4.179 -7.905 5.241 256 H LEU 59 H LEU 59 -5.829 -3.615 1.236 257 HA LEU 59 HA LEU 59 -5.708 -0.788 1.733 258 1HB LEU 59 1HB LEU 59 -6.925 -2.572 -0.310 259 2HB LEU 59 2HB LEU 59 -7.595 -0.972 -0.126 260 HG LEU 59 HG LEU 59 -4.720 -1.604 -0.781 261 1HD1 LEU 59 1HD1 LEU 59 -5.277 -0.577 -2.960 262 2HD1 LEU 59 2HD1 LEU 59 -6.970 -0.524 -2.468 263 3HD1 LEU 59 3HD1 LEU 59 -6.154 -2.076 -2.653 264 1HD2 LEU 59 1HD2 LEU 59 -4.922 0.435 0.541 265 2HD2 LEU 59 2HD2 LEU 59 -6.136 1.052 -0.580 266 3HD2 LEU 59 3HD2 LEU 59 -4.479 0.801 -1.127 267 H THR 60 H THR 60 -7.928 -3.422 2.282 268 HA THR 60 HA THR 60 -10.153 -1.945 3.199 269 HB THR 60 HB THR 60 -10.490 -4.142 4.571 270 HG1 THR 60 HG1 THR 60 -9.199 -5.861 3.810 271 1HG2 THR 60 1HG2 THR 60 -11.216 -5.351 2.534 272 2HG2 THR 60 2HG2 THR 60 -10.369 -4.158 1.550 273 3HG2 THR 60 3HG2 THR 60 -11.744 -3.668 2.540 274 H THR 61 H THR 61 -7.420 -3.416 4.926 275 HA THR 61 HA THR 61 -7.932 -2.504 7.486 276 HB THR 61 HB THR 61 -5.187 -2.580 6.340 277 HG1 THR 61 HG1 THR 61 -6.687 -4.815 7.260 278 1HG2 THR 61 1HG2 THR 61 -4.604 -3.417 8.583 279 2HG2 THR 61 2HG2 THR 61 -6.297 -3.266 9.056 280 3HG2 THR 61 3HG2 THR 61 -5.363 -1.828 8.645 281 H TYR 62 H TYR 62 -6.196 -0.908 4.848 282 HA TYR 62 HA TYR 62 -5.513 1.466 6.176 283 1HB TYR 62 1HB TYR 62 -4.816 0.561 3.835 284 2HB TYR 62 2HB TYR 62 -6.262 1.380 3.261 285 HD1 TYR 62 HD1 TYR 62 -6.432 3.880 3.515 286 HD2 TYR 62 HD2 TYR 62 -2.851 1.742 4.324 287 HE1 TYR 62 HE1 TYR 62 -5.146 5.974 3.350 288 HE2 TYR 62 HE2 TYR 62 -1.558 3.821 4.162 289 HH TYR 62 HH TYR 62 -2.941 6.859 4.211 290 H SER 63 H SER 63 -8.366 0.542 4.341 291 HA SER 63 HA SER 63 -9.779 2.935 4.426 292 1HB SER 63 1HB SER 63 -10.603 0.068 4.222 293 2HB SER 63 2HB SER 63 -11.729 1.386 4.042 294 HG SER 63 HG SER 63 -9.441 0.854 2.449 295 H ALA 64 H ALA 64 -9.888 0.121 6.576 296 HA ALA 64 HA ALA 64 -11.877 1.079 8.311 297 1HB ALA 64 1HB ALA 64 -11.125 -0.627 9.862 298 2HB ALA 64 2HB ALA 64 -9.616 -0.806 8.968 299 3HB ALA 64 3HB ALA 64 -11.145 -1.273 8.221 300 H ALA 65 H ALA 65 -8.413 1.572 8.217 301 HA ALA 65 HA ALA 65 -8.187 2.884 10.727 302 1HB ALA 65 1HB ALA 65 -6.444 3.123 8.271 303 2HB ALA 65 2HB ALA 65 -6.234 1.969 9.588 304 3HB ALA 65 3HB ALA 65 -6.027 3.695 9.886 305 H LEU 66 H LEU 66 -8.578 4.051 7.397 306 HA LEU 66 HA LEU 66 -8.618 6.781 7.882 307 1HB LEU 66 1HB LEU 66 -9.654 4.932 5.798 308 2HB LEU 66 2HB LEU 66 -10.202 6.580 5.766 309 HG LEU 66 HG LEU 66 -7.340 5.658 5.582 310 1HD1 LEU 66 1HD1 LEU 66 -7.445 6.507 3.306 311 2HD1 LEU 66 2HD1 LEU 66 -9.135 6.950 3.535 312 3HD1 LEU 66 3HD1 LEU 66 -8.660 5.253 3.560 313 1HD2 LEU 66 1HD2 LEU 66 -8.494 8.442 5.494 314 2HD2 LEU 66 2HD2 LEU 66 -6.816 8.019 5.155 315 3HD2 LEU 66 3HD2 LEU 66 -7.479 7.772 6.771 316 H LYS 67 H LYS 67 -11.183 4.368 7.982 317 HA LYS 67 HA LYS 67 -13.431 5.922 8.337 318 1HB LYS 67 1HB LYS 67 -12.652 3.231 9.415 319 2HB LYS 67 2HB LYS 67 -14.192 3.954 9.852 320 1HG LYS 67 1HG LYS 67 -13.339 3.541 7.001 321 2HG LYS 67 2HG LYS 67 -14.231 2.333 7.930 322 1HD LYS 67 1HD LYS 67 -15.961 4.106 8.366 323 2HD LYS 67 2HD LYS 67 -15.112 5.116 7.194 324 1HE LYS 67 1HE LYS 67 -15.500 3.521 5.447 325 2HE LYS 67 2HE LYS 67 -16.174 2.360 6.591 326 1HZ LYS 67 1HZ LYS 67 -17.352 4.941 5.722 327 2HZ LYS 67 2HZ LYS 67 -17.933 4.062 7.048 328 3HZ LYS 67 3HZ LYS 67 -17.982 3.379 5.499 329 H THR 68 H THR 68 -10.972 5.091 10.732 330 HA THR 68 HA THR 68 -12.552 6.263 12.861 331 HB THR 68 HB THR 68 -10.650 5.640 14.335 332 HG1 THR 68 HG1 THR 68 -9.420 5.226 11.924 333 1HG2 THR 68 1HG2 THR 68 -11.723 3.408 12.605 334 2HG2 THR 68 2HG2 THR 68 -12.531 4.112 14.006 335 3HG2 THR 68 3HG2 THR 68 -11.022 3.225 14.214 336 H ILE 69 H ILE 69 -10.305 7.373 10.601 337 HA ILE 69 HA ILE 69 -9.118 9.392 12.301 338 HB ILE 69 HB ILE 69 -8.967 9.209 9.287 339 1HG1 ILE 69 1HG1 ILE 69 -8.142 7.129 10.242 340 2HG1 ILE 69 2HG1 ILE 69 -6.787 8.087 9.654 341 1HG2 ILE 69 1HG2 ILE 69 -8.329 11.377 10.219 342 2HG2 ILE 69 2HG2 ILE 69 -6.928 10.537 9.559 343 3HG2 ILE 69 3HG2 ILE 69 -7.188 10.580 11.303 344 1HD1 ILE 69 1HD1 ILE 69 -6.295 8.800 11.926 345 2HD1 ILE 69 2HD1 ILE 69 -6.288 7.042 11.789 346 3HD1 ILE 69 3HD1 ILE 69 -7.666 7.865 12.521 347 H SER 70 H SER 70 -9.585 11.563 12.299 348 HA SER 70 HA SER 70 -12.159 12.273 11.080 349 1HB SER 70 1HB SER 70 -10.768 13.591 13.424 350 2HB SER 70 2HB SER 70 -12.415 13.888 12.864 351 HG SER 70 HG SER 70 -11.930 11.251 13.346 352 H VAL 71 H VAL 71 -12.391 14.591 10.430 353 HA VAL 71 HA VAL 71 -10.180 15.300 8.726 354 HB VAL 71 HB VAL 71 -12.798 16.724 9.202 355 1HG1 VAL 71 1HG1 VAL 71 -10.739 17.128 7.044 356 2HG1 VAL 71 2HG1 VAL 71 -11.108 18.246 8.357 357 3HG1 VAL 71 3HG1 VAL 71 -12.319 17.909 7.118 358 1HG2 VAL 71 1HG2 VAL 71 -13.124 14.508 8.262 359 2HG2 VAL 71 2HG2 VAL 71 -11.948 14.854 6.994 360 3HG2 VAL 71 3HG2 VAL 71 -13.470 15.743 7.052 361 H GLY 72 H GLY 72 -8.620 16.730 9.121 362 1HA GLY 72 1HA GLY 72 -7.655 18.672 10.056 363 2HA GLY 72 2HA GLY 72 -8.987 18.753 11.205 364 H GLU 73 H GLU 73 -7.482 15.736 10.652 365 HA GLU 73 HA GLU 73 -6.241 15.847 13.314 366 1HB GLU 73 1HB GLU 73 -8.126 14.229 12.901 367 2HB GLU 73 2HB GLU 73 -7.083 13.424 11.746 368 1HG GLU 73 1HG GLU 73 -7.160 12.319 13.940 369 2HG GLU 73 2HG GLU 73 -5.536 12.813 13.462 370 H VAL 74 H VAL 74 -4.204 14.851 13.583 371 HA VAL 74 HA VAL 74 -2.637 14.709 11.095 372 HB VAL 74 HB VAL 74 -1.638 15.357 13.884 373 1HG1 VAL 74 1HG1 VAL 74 0.045 14.224 12.533 374 2HG1 VAL 74 2HG1 VAL 74 0.468 15.920 12.763 375 3HG1 VAL 74 3HG1 VAL 74 -0.208 15.380 11.226 376 1HG2 VAL 74 1HG2 VAL 74 -1.298 17.619 13.053 377 2HG2 VAL 74 2HG2 VAL 74 -2.998 17.161 12.943 378 3HG2 VAL 74 3HG2 VAL 74 -1.989 17.163 11.495 379 H ILE 75 H ILE 75 -1.963 12.749 10.556 380 HA ILE 75 HA ILE 75 -1.729 10.723 12.687 381 HB ILE 75 HB ILE 75 -2.209 9.023 10.906 382 1HG1 ILE 75 1HG1 ILE 75 -3.089 11.454 9.337 383 2HG1 ILE 75 2HG1 ILE 75 -1.681 10.465 8.968 384 1HG2 ILE 75 1HG2 ILE 75 -3.899 9.679 12.515 385 2HG2 ILE 75 2HG2 ILE 75 -4.640 9.405 10.937 386 3HG2 ILE 75 3HG2 ILE 75 -4.359 11.052 11.506 387 1HD1 ILE 75 1HD1 ILE 75 -3.148 8.550 8.561 388 2HD1 ILE 75 2HD1 ILE 75 -3.537 9.916 7.517 389 3HD1 ILE 75 3HD1 ILE 75 -4.551 9.560 8.915 390 H ASN 76 H ASN 76 -0.111 9.117 12.425 391 HA ASN 76 HA ASN 76 2.298 10.167 11.174 392 1HB ASN 76 1HB ASN 76 2.404 9.386 13.512 393 2HB ASN 76 2HB ASN 76 1.867 7.790 13.006 394 1HD2 ASN 76 1HD2 ASN 76 3.663 6.721 13.715 395 2HD2 ASN 76 2HD2 ASN 76 5.216 6.898 12.981 396 H ILE 77 H ILE 77 3.214 9.309 9.398 397 HA ILE 77 HA ILE 77 2.235 6.698 8.431 398 HB ILE 77 HB ILE 77 2.750 9.131 6.693 399 1HG1 ILE 77 1HG1 ILE 77 0.168 7.680 7.316 400 2HG1 ILE 77 2HG1 ILE 77 0.618 9.258 7.943 401 1HG2 ILE 77 1HG2 ILE 77 3.409 7.035 5.628 402 2HG2 ILE 77 2HG2 ILE 77 1.981 7.722 4.854 403 3HG2 ILE 77 3HG2 ILE 77 1.815 6.359 5.964 404 1HD1 ILE 77 1HD1 ILE 77 0.199 8.602 5.042 405 2HD1 ILE 77 2HD1 ILE 77 0.574 10.192 5.708 406 3HD1 ILE 77 3HD1 ILE 77 -0.964 9.412 6.090 407 H THR 78 H THR 78 3.896 5.411 8.630 408 HA THR 78 HA THR 78 6.601 6.411 8.143 409 HB THR 78 HB THR 78 5.751 3.688 9.161 410 HG1 THR 78 HG1 THR 78 5.597 6.042 10.367 411 1HG2 THR 78 1HG2 THR 78 8.406 5.128 9.305 412 2HG2 THR 78 2HG2 THR 78 8.027 3.784 8.226 413 3HG2 THR 78 3HG2 THR 78 8.047 3.536 9.972 414 H THR 79 H THR 79 7.226 6.330 6.071 415 HA THR 79 HA THR 79 6.277 4.086 4.436 416 HB THR 79 HB THR 79 6.800 5.434 2.459 417 HG1 THR 79 HG1 THR 79 7.572 7.384 4.388 418 1HG2 THR 79 1HG2 THR 79 5.072 6.879 4.468 419 2HG2 THR 79 2HG2 THR 79 4.558 5.590 3.380 420 3HG2 THR 79 3HG2 THR 79 5.055 7.149 2.724 421 H ASP 80 H ASP 80 7.877 3.708 2.552 422 HA ASP 80 HA ASP 80 9.907 2.146 3.422 423 1HB ASP 80 1HB ASP 80 9.052 2.050 1.170 424 2HB ASP 80 2HB ASP 80 9.694 3.647 0.811 425 H GLN 81 H GLN 81 10.264 5.577 2.524 426 HA GLN 81 HA GLN 81 12.933 5.518 3.758 427 1HB GLN 81 1HB GLN 81 12.171 6.576 1.058 428 2HB GLN 81 2HB GLN 81 13.543 7.247 1.926 429 1HG GLN 81 1HG GLN 81 14.739 5.255 1.822 430 2HG GLN 81 2HG GLN 81 13.302 4.304 1.441 431 1HE2 GLN 81 1HE2 GLN 81 12.520 4.267 -0.610 432 2HE2 GLN 81 2HE2 GLN 81 13.412 4.855 -1.982 433 H GLY 82 H GLY 82 10.136 6.585 4.467 434 1HA GLY 82 1HA GLY 82 11.103 9.130 5.472 435 2HA GLY 82 2HA GLY 82 9.822 9.267 4.280 436 H THR 83 H THR 83 10.387 9.334 7.462 437 HA THR 83 HA THR 83 7.737 8.219 8.121 438 HB THR 83 HB THR 83 9.958 8.968 10.041 439 HG1 THR 83 HG1 THR 83 10.583 7.188 8.743 440 1HG2 THR 83 1HG2 THR 83 8.669 7.650 11.653 441 2HG2 THR 83 2HG2 THR 83 7.432 7.350 10.432 442 3HG2 THR 83 3HG2 THR 83 7.709 8.989 11.023 443 H PHE 84 H PHE 84 6.240 9.761 7.975 444 HA PHE 84 HA PHE 84 6.844 12.420 9.068 445 1HB PHE 84 1HB PHE 84 5.502 13.372 7.126 446 2HB PHE 84 2HB PHE 84 7.118 12.797 6.759 447 HD1 PHE 84 HD1 PHE 84 3.528 12.071 6.434 448 HD2 PHE 84 HD2 PHE 84 7.472 10.963 5.277 449 HE1 PHE 84 HE1 PHE 84 2.603 10.626 4.671 450 HE2 PHE 84 HE2 PHE 84 6.552 9.514 3.515 451 HZ PHE 84 HZ PHE 84 4.113 9.345 3.211 452 H HIS 85 H HIS 85 4.748 13.763 8.957 453 HA HIS 85 HA HIS 85 2.508 12.105 9.892 454 1HB HIS 85 1HB HIS 85 2.005 14.151 11.413 455 2HB HIS 85 2HB HIS 85 3.224 12.993 11.919 456 HD1 HIS 85 HD1 HIS 85 2.801 16.530 10.751 457 HD2 HIS 85 HD2 HIS 85 5.843 13.967 11.971 458 HE1 HIS 85 HE1 HIS 85 4.813 17.990 11.126 459 HE2 HIS 85 HE2 HIS 85 6.571 16.446 12.061 460 H LEU 86 H LEU 86 0.617 12.508 8.975 461 HA LEU 86 HA LEU 86 0.533 14.736 7.047 462 1HB LEU 86 1HB LEU 86 0.400 12.327 6.248 463 2HB LEU 86 2HB LEU 86 -1.162 12.252 7.034 464 HG LEU 86 HG LEU 86 -0.736 14.415 5.036 465 1HD1 LEU 86 1HD1 LEU 86 -1.228 11.527 4.319 466 2HD1 LEU 86 2HD1 LEU 86 0.220 12.459 3.936 467 3HD1 LEU 86 3HD1 LEU 86 -1.327 12.895 3.210 468 1HD2 LEU 86 1HD2 LEU 86 -3.052 12.595 5.688 469 2HD2 LEU 86 2HD2 LEU 86 -3.083 13.943 4.551 470 3HD2 LEU 86 3HD2 LEU 86 -2.839 14.246 6.271 471 H LYS 87 H LYS 87 -1.207 16.065 6.944 472 HA LYS 87 HA LYS 87 -3.065 15.972 9.220 473 1HB LYS 87 1HB LYS 87 -1.689 17.998 9.140 474 2HB LYS 87 2HB LYS 87 -2.208 18.303 7.491 475 1HG LYS 87 1HG LYS 87 -4.524 18.569 8.299 476 2HG LYS 87 2HG LYS 87 -3.939 18.369 9.953 477 1HD LYS 87 1HD LYS 87 -2.531 20.345 9.706 478 2HD LYS 87 2HD LYS 87 -3.058 20.523 8.032 479 1HE LYS 87 1HE LYS 87 -5.366 20.840 8.803 480 2HE LYS 87 2HE LYS 87 -4.819 20.701 10.472 481 1HZ LYS 87 1HZ LYS 87 -5.085 23.008 9.810 482 2HZ LYS 87 2HZ LYS 87 -3.977 22.801 8.544 483 3HZ LYS 87 3HZ LYS 87 -3.458 22.675 10.158 484 H THR 88 H THR 88 -5.047 15.296 8.740 485 HA THR 88 HA THR 88 -5.817 14.741 6.068 486 HB THR 88 HB THR 88 -7.996 14.098 7.069 487 HG1 THR 88 HG1 THR 88 -7.974 14.138 9.459 488 1HG2 THR 88 1HG2 THR 88 -6.122 12.518 6.974 489 2HG2 THR 88 2HG2 THR 88 -7.106 12.262 8.416 490 3HG2 THR 88 3HG2 THR 88 -5.556 13.096 8.541 491 H GLY 89 H GLY 89 -7.116 15.751 4.665 492 1HA GLY 89 1HA GLY 89 -7.938 18.481 5.384 493 2HA GLY 89 2HA GLY 89 -7.605 17.915 3.754 494 H ARG 90 H ARG 90 -9.696 18.969 3.359 495 HA ARG 90 HA ARG 90 -12.044 17.616 4.390 496 1HB ARG 90 1HB ARG 90 -11.534 20.087 2.796 497 2HB ARG 90 2HB ARG 90 -13.109 19.318 2.656 498 1HG ARG 90 1HG ARG 90 -13.210 21.047 4.310 499 2HG ARG 90 2HG ARG 90 -13.377 19.481 5.099 500 1HD ARG 90 1HD ARG 90 -11.010 19.572 5.753 501 2HD ARG 90 2HD ARG 90 -10.865 21.155 4.985 502 HE ARG 90 HE ARG 90 -12.962 21.386 6.745 503 1HH1 ARG 90 1HH1 ARG 90 -9.539 20.608 7.019 504 2HH1 ARG 90 2HH1 ARG 90 -9.415 21.227 8.638 505 1HH2 ARG 90 1HH2 ARG 90 -12.785 22.167 8.868 506 2HH2 ARG 90 2HH2 ARG 90 -11.256 22.079 9.698 507 H ASN 91 H ASN 91 -13.356 16.279 3.269 508 HA ASN 91 HA ASN 91 -12.367 15.348 0.678 509 1HB ASN 91 1HB ASN 91 -13.991 13.432 1.067 510 2HB ASN 91 2HB ASN 91 -12.625 13.521 2.166 511 1HD2 ASN 91 1HD2 ASN 91 -13.733 12.248 3.659 512 2HD2 ASN 91 2HD2 ASN 91 -15.016 12.892 4.630 513 HA PRO 92 HA PRO 92 -15.708 17.179 -1.513 514 1HB PRO 92 1HB PRO 92 -16.040 15.426 -3.565 515 2HB PRO 92 2HB PRO 92 -14.680 16.550 -3.460 516 1HG PRO 92 1HG PRO 92 -14.793 13.639 -2.821 517 2HG PRO 92 2HG PRO 92 -13.498 14.571 -3.590 518 1HD PRO 92 1HD PRO 92 -13.469 13.805 -0.963 519 2HD PRO 92 2HD PRO 92 -12.620 15.232 -1.582 520 H ASN 93 H ASN 93 -16.265 13.654 -1.719 521 HA ASN 93 HA ASN 93 -18.732 13.865 -0.244 522 1HB ASN 93 1HB ASN 93 -19.407 14.555 -2.487 523 2HB ASN 93 2HB ASN 93 -18.713 13.094 -3.166 524 1HD2 ASN 93 1HD2 ASN 93 -21.351 14.421 -1.334 525 2HD2 ASN 93 2HD2 ASN 93 -22.360 13.017 -1.399 526 H ASN 94 H ASN 94 -16.839 11.833 -2.448 527 HA ASN 94 HA ASN 94 -17.809 9.421 -1.182 528 1HB ASN 94 1HB ASN 94 -16.551 8.237 -2.898 529 2HB ASN 94 2HB ASN 94 -17.522 9.509 -3.628 530 1HD2 ASN 94 1HD2 ASN 94 -15.009 8.090 -4.433 531 2HD2 ASN 94 2HD2 ASN 94 -13.903 9.363 -4.827 532 H SER 95 H SER 95 -15.831 7.696 -1.191 533 HA SER 95 HA SER 95 -14.065 6.859 -0.083 534 1HB SER 95 1HB SER 95 -13.120 9.730 0.026 535 2HB SER 95 2HB SER 95 -12.136 8.315 0.409 536 HG SER 95 HG SER 95 -13.360 8.073 -2.005 537 H SER 96 H SER 96 -12.755 7.259 2.106 538 HA SER 96 HA SER 96 -14.802 7.220 4.112 539 1HB SER 96 1HB SER 96 -11.801 6.948 4.425 540 2HB SER 96 2HB SER 96 -13.031 6.471 5.598 541 HG SER 96 HG SER 96 -13.824 5.148 3.653 542 H ARG 97 H ARG 97 -14.069 8.291 6.324 543 HA ARG 97 HA ARG 97 -14.139 11.110 5.906 544 1HB ARG 97 1HB ARG 97 -13.728 9.548 8.468 545 2HB ARG 97 2HB ARG 97 -14.133 11.257 8.357 546 1HG ARG 97 1HG ARG 97 -15.854 8.930 7.526 547 2HG ARG 97 2HG ARG 97 -16.109 10.011 8.898 548 1HD ARG 97 1HD ARG 97 -16.422 11.887 7.367 549 2HD ARG 97 2HD ARG 97 -16.135 10.823 5.992 550 HE ARG 97 HE ARG 97 -18.357 10.191 7.795 551 1HH1 ARG 97 1HH1 ARG 97 -17.254 11.406 4.696 552 2HH1 ARG 97 2HH1 ARG 97 -18.808 11.264 3.936 553 1HH2 ARG 97 1HH2 ARG 97 -20.398 10.021 6.801 554 2HH2 ARG 97 2HH2 ARG 97 -20.584 10.458 5.131 555 H ALA 98 H ALA 98 -12.594 12.628 6.719 556 HA ALA 98 HA ALA 98 -10.523 13.542 6.911 557 1HB ALA 98 1HB ALA 98 -8.687 12.246 7.809 558 2HB ALA 98 2HB ALA 98 -9.586 10.754 7.542 559 3HB ALA 98 3HB ALA 98 -10.165 11.931 8.721 560 H TYR 99 H TYR 99 -9.891 14.281 4.964 561 HA TYR 99 HA TYR 99 -9.505 12.345 2.822 562 1HB TYR 99 1HB TYR 99 -10.902 14.443 2.535 563 2HB TYR 99 2HB TYR 99 -9.394 15.353 2.580 564 HD1 TYR 99 HD1 TYR 99 -10.782 12.346 0.827 565 HD2 TYR 99 HD2 TYR 99 -8.492 15.920 0.540 566 HE1 TYR 99 HE1 TYR 99 -10.493 11.961 -1.585 567 HE2 TYR 99 HE2 TYR 99 -8.195 15.545 -1.869 568 HH TYR 99 HH TYR 99 -8.267 13.762 -3.481 569 H MET 100 H MET 100 -7.611 11.537 2.497 570 HA MET 100 HA MET 100 -5.236 12.572 3.640 571 1HB MET 100 1HB MET 100 -4.146 10.713 2.418 572 2HB MET 100 2HB MET 100 -5.539 10.203 3.363 573 1HG MET 100 1HG MET 100 -6.858 10.467 1.173 574 2HG MET 100 2HG MET 100 -5.278 10.462 0.395 575 1HE MET 100 1HE MET 100 -3.912 6.963 1.647 576 2HE MET 100 2HE MET 100 -3.872 8.399 2.670 577 3HE MET 100 3HE MET 100 -3.478 8.526 0.955 578 H GLY 101 H GLY 101 -6.694 12.845 0.477 579 1HA GLY 101 1HA GLY 101 -6.274 14.541 -1.069 580 2HA GLY 101 2HA GLY 101 -4.823 14.963 -0.173 581 H ILE 102 H ILE 102 -4.656 11.738 -0.542 582 HA ILE 102 HA ILE 102 -3.312 11.879 -3.153 583 HB ILE 102 HB ILE 102 -1.477 10.508 -2.266 584 1HG1 ILE 102 1HG1 ILE 102 -2.821 10.982 0.405 585 2HG1 ILE 102 2HG1 ILE 102 -2.662 9.432 -0.414 586 1HG2 ILE 102 1HG2 ILE 102 -1.183 12.916 -2.355 587 2HG2 ILE 102 2HG2 ILE 102 -0.365 12.253 -0.943 588 3HG2 ILE 102 3HG2 ILE 102 -1.908 13.085 -0.757 589 1HD1 ILE 102 1HD1 ILE 102 -0.221 9.603 -0.199 590 2HD1 ILE 102 2HD1 ILE 102 -1.049 9.598 1.359 591 3HD1 ILE 102 3HD1 ILE 102 -0.428 11.109 0.695 592 H ARG 103 H ARG 103 -2.994 9.816 -4.156 593 HA ARG 103 HA ARG 103 -5.192 7.978 -3.612 594 1HB ARG 103 1HB ARG 103 -3.244 8.249 -5.902 595 2HB ARG 103 2HB ARG 103 -4.373 6.910 -5.776 596 1HG ARG 103 1HG ARG 103 -6.242 8.354 -5.990 597 2HG ARG 103 2HG ARG 103 -5.234 9.790 -5.806 598 1HD ARG 103 1HD ARG 103 -5.928 9.334 -8.154 599 2HD ARG 103 2HD ARG 103 -4.184 9.408 -7.922 600 HE ARG 103 HE ARG 103 -4.259 6.905 -7.929 601 1HH1 ARG 103 1HH1 ARG 103 -6.695 8.810 -9.563 602 2HH1 ARG 103 2HH1 ARG 103 -7.100 7.560 -10.698 603 1HH2 ARG 103 1HH2 ARG 103 -4.784 5.243 -9.436 604 2HH2 ARG 103 2HH2 ARG 103 -6.015 5.537 -10.633 605 H THR 104 H THR 104 -4.886 5.808 -3.111 606 HA THR 104 HA THR 104 -2.123 4.929 -2.656 607 HB THR 104 HB THR 104 -3.154 3.659 -0.620 608 HG1 THR 104 HG1 THR 104 -4.887 4.703 0.329 609 1HG2 THR 104 1HG2 THR 104 -2.555 5.513 0.865 610 2HG2 THR 104 2HG2 THR 104 -2.589 6.619 -0.508 611 3HG2 THR 104 3HG2 THR 104 -1.386 5.331 -0.447 612 H SER 105 H SER 105 -1.766 2.697 -2.804 613 HA SER 105 HA SER 105 -4.022 1.038 -3.670 614 1HB SER 105 1HB SER 105 -2.785 0.143 -5.545 615 2HB SER 105 2HB SER 105 -2.806 1.900 -5.695 616 HG SER 105 HG SER 105 -0.714 1.904 -5.552 617 H ASN 106 H ASN 106 -2.818 -1.310 -4.084 618 HA ASN 106 HA ASN 106 -1.539 -1.872 -1.504 619 1HB ASN 106 1HB ASN 106 -2.323 -4.249 -1.970 620 2HB ASN 106 2HB ASN 106 -3.578 -3.066 -1.626 621 1HD2 ASN 106 1HD2 ASN 106 -5.113 -4.362 -2.663 622 2HD2 ASN 106 2HD2 ASN 106 -5.189 -4.481 -4.384 623 H HIS 107 H HIS 107 -0.528 -1.158 -4.365 624 HA HIS 107 HA HIS 107 1.181 -1.650 -5.753 625 1HB HIS 107 1HB HIS 107 3.308 -1.993 -4.687 626 2HB HIS 107 2HB HIS 107 2.352 -0.901 -3.716 627 HD1 HIS 107 HD1 HIS 107 2.349 -1.396 -1.279 628 HD2 HIS 107 HD2 HIS 107 3.329 -4.747 -3.521 629 HE1 HIS 107 HE1 HIS 107 2.990 -3.162 0.386 630 HE2 HIS 107 HE2 HIS 107 3.269 -5.254 -0.989 631 H LEU 108 H LEU 108 -0.689 -3.665 -5.892 632 HA LEU 108 HA LEU 108 -0.015 -6.245 -5.348 633 1HB LEU 108 1HB LEU 108 -1.562 -5.023 -7.565 634 2HB LEU 108 2HB LEU 108 -1.174 -6.729 -7.667 635 HG LEU 108 HG LEU 108 -2.555 -5.500 -5.298 636 1HD1 LEU 108 1HD1 LEU 108 -3.925 -5.193 -7.304 637 2HD1 LEU 108 2HD1 LEU 108 -4.634 -6.381 -6.211 638 3HD1 LEU 108 3HD1 LEU 108 -3.782 -6.914 -7.660 639 1HD2 LEU 108 1HD2 LEU 108 -1.423 -7.615 -4.874 640 2HD2 LEU 108 2HD2 LEU 108 -2.285 -8.351 -6.224 641 3HD2 LEU 108 3HD2 LEU 108 -3.175 -7.802 -4.804 642 H ARG 109 H ARG 109 1.215 -7.754 -6.047 643 HA ARG 109 HA ARG 109 3.451 -7.008 -7.711 644 1HB ARG 109 1HB ARG 109 2.841 -9.401 -5.995 645 2HB ARG 109 2HB ARG 109 4.217 -9.386 -7.090 646 1HG ARG 109 1HG ARG 109 5.220 -7.565 -5.943 647 2HG ARG 109 2HG ARG 109 3.768 -7.289 -4.982 648 1HD ARG 109 1HD ARG 109 5.207 -9.913 -4.859 649 2HD ARG 109 2HD ARG 109 5.773 -8.535 -3.918 650 HE ARG 109 HE ARG 109 3.336 -8.532 -3.066 651 1HH1 ARG 109 1HH1 ARG 109 5.167 -11.417 -3.875 652 2HH1 ARG 109 2HH1 ARG 109 4.354 -12.410 -2.701 653 1HH2 ARG 109 1HH2 ARG 109 2.300 -9.800 -1.526 654 2HH2 ARG 109 2HH2 ARG 109 2.721 -11.488 -1.356 655 H VAL 110 H VAL 110 2.782 -6.886 -9.746 656 HA VAL 110 HA VAL 110 1.211 -9.008 -10.948 657 HB VAL 110 HB VAL 110 2.327 -6.488 -12.173 658 1HG1 VAL 110 1HG1 VAL 110 0.222 -8.393 -13.184 659 2HG1 VAL 110 2HG1 VAL 110 1.837 -8.163 -13.855 660 3HG1 VAL 110 3HG1 VAL 110 0.653 -6.858 -13.936 661 1HG2 VAL 110 1HG2 VAL 110 0.779 -6.001 -10.344 662 2HG2 VAL 110 2HG2 VAL 110 -0.437 -7.032 -11.098 663 3HG2 VAL 110 3HG2 VAL 110 0.089 -5.553 -11.903 664 H ARG 111 H ARG 111 1.979 -10.553 -12.217 665 HA ARG 111 HA ARG 111 4.258 -10.136 -13.881 666 1HB ARG 111 1HB ARG 111 5.490 -12.170 -13.102 667 2HB ARG 111 2HB ARG 111 5.522 -10.808 -12.000 668 1HG ARG 111 1HG ARG 111 3.820 -11.880 -10.610 669 2HG ARG 111 2HG ARG 111 3.777 -13.250 -11.724 670 1HD ARG 111 1HD ARG 111 6.210 -13.588 -11.284 671 2HD ARG 111 2HD ARG 111 6.110 -12.332 -10.051 672 HE ARG 111 HE ARG 111 4.438 -13.826 -8.926 673 1HH1 ARG 111 1HH1 ARG 111 6.845 -15.116 -11.131 674 2HH1 ARG 111 2HH1 ARG 111 6.880 -16.683 -10.382 675 1HH2 ARG 111 1HH2 ARG 111 4.502 -15.903 -7.921 676 2HH2 ARG 111 2HH2 ARG 111 5.566 -17.126 -8.558 677 H ASP 112 H ASP 112 2.705 -10.387 -15.423 678 HA ASP 112 HA ASP 112 2.352 -13.067 -16.369 679 1HB ASP 112 1HB ASP 112 0.434 -12.921 -14.814 680 2HB ASP 112 2HB ASP 112 -0.124 -11.474 -15.647 681 H SER 113 H SER 113 2.500 -12.996 -18.514 682 HA SER 113 HA SER 113 1.732 -10.538 -19.911 683 1HB SER 113 1HB SER 113 4.097 -10.274 -19.443 684 2HB SER 113 2HB SER 113 4.434 -11.891 -20.060 685 HG SER 113 HG SER 113 4.441 -11.137 -22.018 686 H VAL 114 H VAL 114 1.014 -10.832 -21.995 687 HA VAL 114 HA VAL 114 0.894 -13.612 -22.952 688 HB VAL 114 HB VAL 114 -1.040 -12.918 -24.305 689 1HG1 VAL 114 1HG1 VAL 114 -1.456 -13.913 -22.147 690 2HG1 VAL 114 2HG1 VAL 114 -2.642 -12.641 -22.442 691 3HG1 VAL 114 3HG1 VAL 114 -1.282 -12.345 -21.360 692 1HG2 VAL 114 1HG2 VAL 114 -2.123 -10.762 -23.918 693 2HG2 VAL 114 2HG2 VAL 114 -0.496 -10.556 -24.574 694 3HG2 VAL 114 3HG2 VAL 114 -0.798 -10.289 -22.856 695 H ALA 115 H ALA 115 0.735 -13.708 -25.437 696 HA ALA 115 HA ALA 115 2.465 -11.686 -26.681 697 1HB ALA 115 1HB ALA 115 3.875 -13.593 -26.019 698 2HB ALA 115 2HB ALA 115 3.794 -13.399 -27.770 699 3HB ALA 115 3HB ALA 115 2.852 -14.663 -26.978 700 H SER 116 H SER 116 1.506 -10.900 -28.432 701 HA SER 116 HA SER 116 0.134 -12.615 -30.316 702 1HB SER 116 1HB SER 116 -1.375 -10.406 -28.889 703 2HB SER 116 2HB SER 116 -1.982 -11.344 -30.254 704 HG SER 116 HG SER 116 -1.066 -12.931 -28.241 705 H VAL 117 H VAL 117 -0.552 -11.385 -32.245 706 HA VAL 117 HA VAL 117 -0.173 -9.957 -33.954 707 HB VAL 117 HB VAL 117 0.736 -8.003 -31.838 708 1HG1 VAL 117 1HG1 VAL 117 -0.054 -7.544 -34.714 709 2HG1 VAL 117 2HG1 VAL 117 1.573 -7.394 -34.048 710 3HG1 VAL 117 3HG1 VAL 117 0.303 -6.284 -33.533 711 1HG2 VAL 117 1HG2 VAL 117 -1.941 -8.359 -33.179 712 2HG2 VAL 117 2HG2 VAL 117 -1.514 -7.050 -32.078 713 3HG2 VAL 117 3HG2 VAL 117 -1.565 -8.713 -31.491 714 H LEU 118 H LEU 118 1.376 -10.908 -35.115 715 HA LEU 118 HA LEU 118 4.166 -10.723 -34.303 716 1HB LEU 118 1HB LEU 118 2.868 -12.053 -36.685 717 2HB LEU 118 2HB LEU 118 4.580 -12.121 -36.315 718 HG LEU 118 HG LEU 118 2.381 -13.230 -34.572 719 1HD1 LEU 118 1HD1 LEU 118 4.373 -14.625 -36.350 720 2HD1 LEU 118 2HD1 LEU 118 2.638 -14.492 -36.636 721 3HD1 LEU 118 3HD1 LEU 118 3.236 -15.411 -35.254 722 1HD2 LEU 118 1HD2 LEU 118 4.279 -12.524 -33.251 723 2HD2 LEU 118 2HD2 LEU 118 5.385 -13.373 -34.333 724 3HD2 LEU 118 3HD2 LEU 118 4.240 -14.285 -33.346 725 H GLY 119 H GLY 119 2.037 -8.800 -35.943 726 1HA GLY 119 1HA GLY 119 2.468 -6.828 -37.118 727 2HA GLY 119 2HA GLY 119 4.152 -7.319 -37.269 728 H ASP 120 H ASP 120 2.756 -6.254 -39.436 729 HA ASP 120 HA ASP 120 2.992 -8.441 -41.314 730 1HB ASP 120 1HB ASP 120 0.572 -8.439 -40.442 731 2HB ASP 120 2HB ASP 120 0.386 -6.917 -41.301 732 H THR 121 H THR 121 3.584 -7.744 -43.304 733 HA THR 121 HA THR 121 3.429 -4.856 -43.835 734 HB THR 121 HB THR 121 5.517 -5.336 -45.312 735 HG1 THR 121 HG1 THR 121 5.952 -7.286 -43.279 736 1HG2 THR 121 1HG2 THR 121 5.529 -3.803 -43.430 737 2HG2 THR 121 2HG2 THR 121 6.998 -4.780 -43.416 738 3HG2 THR 121 3HG2 THR 121 5.680 -5.153 -42.304 739 H LEU 122 H LEU 122 1.546 -5.038 -45.009 740 HA LEU 122 HA LEU 122 1.652 -6.747 -47.389 741 1HB LEU 122 1HB LEU 122 -0.936 -6.095 -47.313 742 2HB LEU 122 2HB LEU 122 -0.269 -7.478 -46.474 743 HG LEU 122 HG LEU 122 -0.102 -5.995 -44.417 744 1HD1 LEU 122 1HD1 LEU 122 -1.562 -4.056 -44.313 745 2HD1 LEU 122 2HD1 LEU 122 -1.943 -4.236 -46.026 746 3HD1 LEU 122 3HD1 LEU 122 -0.301 -3.833 -45.525 747 1HD2 LEU 122 1HD2 LEU 122 -2.813 -6.627 -45.562 748 2HD2 LEU 122 2HD2 LEU 122 -2.478 -6.279 -43.866 749 3HD2 LEU 122 3HD2 LEU 122 -1.785 -7.713 -44.628 750 HA PRO 123 HA PRO 123 1.814 -2.952 -49.755 751 1HB PRO 123 1HB PRO 123 1.878 -4.639 -52.105 752 2HB PRO 123 2HB PRO 123 3.173 -3.656 -51.420 753 1HG PRO 123 1HG PRO 123 3.192 -6.390 -51.441 754 2HG PRO 123 2HG PRO 123 4.049 -5.405 -50.244 755 1HD PRO 123 1HD PRO 123 1.430 -6.831 -50.004 756 2HD PRO 123 2HD PRO 123 2.739 -6.665 -48.814 757 H PHE 124 H PHE 124 0.460 -1.958 -51.374 758 HA PHE 124 HA PHE 124 -2.067 -3.376 -51.895 759 1HB PHE 124 1HB PHE 124 -2.277 -1.696 -50.027 760 2HB PHE 124 2HB PHE 124 -1.879 -0.439 -51.194 761 HD1 PHE 124 HD1 PHE 124 -4.345 -3.071 -50.377 762 HD2 PHE 124 HD2 PHE 124 -3.529 0.448 -52.629 763 HE1 PHE 124 HE1 PHE 124 -6.718 -2.935 -51.014 764 HE2 PHE 124 HE2 PHE 124 -5.901 0.592 -53.265 765 HZ PHE 124 HZ PHE 124 -7.499 -1.099 -52.457 766 H ALA 125 H ALA 125 -2.193 -3.647 -54.012 767 HA ALA 125 HA ALA 125 -1.574 -1.414 -55.793 768 1HB ALA 125 1HB ALA 125 -0.251 -2.833 -57.276 769 2HB ALA 125 2HB ALA 125 -0.424 -4.183 -56.155 770 3HB ALA 125 3HB ALA 125 0.480 -2.748 -55.674 Start of MODEL 11 1 H GLN 23 H GLN 23 1.437 -6.490 -4.551 2 HA GLN 23 HA GLN 23 -0.410 -8.716 -4.087 3 1HB GLN 23 1HB GLN 23 2.534 -8.663 -3.387 4 2HB GLN 23 2HB GLN 23 1.395 -9.861 -2.783 5 1HG GLN 23 1HG GLN 23 0.983 -10.667 -5.010 6 2HG GLN 23 2HG GLN 23 1.984 -9.389 -5.695 7 1HE2 GLN 23 1HE2 GLN 23 3.326 -10.845 -6.709 8 2HE2 GLN 23 2HE2 GLN 23 4.476 -11.811 -5.841 9 HA PRO 24 HA PRO 24 -1.343 -6.423 -0.431 10 1HB PRO 24 1HB PRO 24 -2.404 -8.413 1.078 11 2HB PRO 24 2HB PRO 24 -3.255 -7.680 -0.285 12 1HG PRO 24 1HG PRO 24 -1.719 -10.244 -0.172 13 2HG PRO 24 2HG PRO 24 -3.278 -9.908 -0.948 14 1HD PRO 24 1HD PRO 24 -0.964 -10.022 -2.337 15 2HD PRO 24 2HD PRO 24 -2.298 -8.944 -2.795 16 H ASP 25 H ASP 25 -1.310 -7.137 2.106 17 HA ASP 25 HA ASP 25 -0.034 -7.313 3.969 18 1HB ASP 25 1HB ASP 25 0.757 -9.511 2.997 19 2HB ASP 25 2HB ASP 25 2.133 -8.638 2.328 20 H GLY 26 H GLY 26 0.158 -5.292 1.741 21 1HA GLY 26 1HA GLY 26 1.600 -3.380 3.114 22 2HA GLY 26 2HA GLY 26 2.690 -4.052 1.914 23 H VAL 27 H VAL 27 1.632 -1.340 2.033 24 HA VAL 27 HA VAL 27 0.315 -1.281 -0.587 25 HB VAL 27 HB VAL 27 -1.208 0.516 0.147 26 1HG1 VAL 27 1HG1 VAL 27 -2.757 -0.892 1.452 27 2HG1 VAL 27 2HG1 VAL 27 -1.455 -2.054 1.703 28 3HG1 VAL 27 3HG1 VAL 27 -2.055 -1.741 0.075 29 1HG2 VAL 27 1HG2 VAL 27 -1.549 0.918 2.554 30 2HG2 VAL 27 2HG2 VAL 27 0.062 1.389 2.012 31 3HG2 VAL 27 3HG2 VAL 27 -0.164 -0.116 2.906 32 H GLN 28 H GLN 28 0.644 0.673 -1.784 33 HA GLN 28 HA GLN 28 2.674 2.465 -0.619 34 1HB GLN 28 1HB GLN 28 3.743 2.680 -2.748 35 2HB GLN 28 2HB GLN 28 3.624 0.970 -2.382 36 1HG GLN 28 1HG GLN 28 1.890 0.652 -3.943 37 2HG GLN 28 2HG GLN 28 1.610 2.384 -4.098 38 1HE2 GLN 28 1HE2 GLN 28 4.468 3.013 -4.267 39 2HE2 GLN 28 2HE2 GLN 28 4.962 2.525 -5.847 40 H ILE 29 H ILE 29 2.647 4.655 -1.547 41 HA ILE 29 HA ILE 29 -0.027 5.648 -1.950 42 HB ILE 29 HB ILE 29 2.617 7.089 -2.305 43 1HG1 ILE 29 1HG1 ILE 29 0.779 7.037 0.100 44 2HG1 ILE 29 2HG1 ILE 29 2.318 6.193 -0.018 45 1HG2 ILE 29 1HG2 ILE 29 0.808 8.218 -3.443 46 2HG2 ILE 29 2HG2 ILE 29 1.273 9.131 -2.007 47 3HG2 ILE 29 3HG2 ILE 29 -0.188 8.145 -1.988 48 1HD1 ILE 29 1HD1 ILE 29 1.954 9.177 -0.135 49 2HD1 ILE 29 2HD1 ILE 29 3.487 8.308 -0.204 50 3HD1 ILE 29 3HD1 ILE 29 2.508 8.255 1.261 51 H ASP 30 H ASP 30 -1.036 5.507 -3.856 52 HA ASP 30 HA ASP 30 0.452 4.897 -6.247 53 1HB ASP 30 1HB ASP 30 -1.765 3.880 -5.790 54 2HB ASP 30 2HB ASP 30 -2.501 5.467 -5.952 55 H SER 31 H SER 31 -1.954 7.402 -5.493 56 HA SER 31 HA SER 31 -0.331 9.346 -6.930 57 1HB SER 31 1HB SER 31 -3.229 8.828 -7.668 58 2HB SER 31 2HB SER 31 -2.165 10.036 -8.387 59 HG SER 31 HG SER 31 -1.972 7.202 -8.564 60 H VAL 32 H VAL 32 -0.976 11.531 -6.519 61 HA VAL 32 HA VAL 32 -2.567 11.809 -4.051 62 HB VAL 32 HB VAL 32 -0.166 13.428 -4.935 63 1HG1 VAL 32 1HG1 VAL 32 -0.358 14.514 -2.728 64 2HG1 VAL 32 2HG1 VAL 32 -1.879 13.665 -2.464 65 3HG1 VAL 32 3HG1 VAL 32 -1.746 14.848 -3.765 66 1HG2 VAL 32 1HG2 VAL 32 -0.512 11.481 -2.660 67 2HG2 VAL 32 2HG2 VAL 32 0.916 12.476 -2.947 68 3HG2 VAL 32 3HG2 VAL 32 0.459 11.233 -4.113 69 H VAL 33 H VAL 33 -4.229 13.219 -4.095 70 HA VAL 33 HA VAL 33 -4.628 14.740 -6.577 71 HB VAL 33 HB VAL 33 -6.663 13.902 -4.505 72 1HG1 VAL 33 1HG1 VAL 33 -7.307 15.966 -5.620 73 2HG1 VAL 33 2HG1 VAL 33 -8.330 14.627 -6.146 74 3HG1 VAL 33 3HG1 VAL 33 -7.039 15.215 -7.194 75 1HG2 VAL 33 1HG2 VAL 33 -7.462 12.357 -6.271 76 2HG2 VAL 33 2HG2 VAL 33 -5.837 11.982 -5.695 77 3HG2 VAL 33 3HG2 VAL 33 -6.055 12.797 -7.244 78 HA PRO 34 HA PRO 34 -3.753 18.500 -4.322 79 1HB PRO 34 1HB PRO 34 -5.334 19.650 -6.568 80 2HB PRO 34 2HB PRO 34 -3.727 20.093 -5.978 81 1HG PRO 34 1HG PRO 34 -4.006 18.723 -8.238 82 2HG PRO 34 2HG PRO 34 -2.683 18.362 -7.115 83 1HD PRO 34 1HD PRO 34 -5.241 16.879 -7.579 84 2HD PRO 34 2HD PRO 34 -3.613 16.249 -7.249 85 H GLY 35 H GLY 35 -4.879 20.004 -3.089 86 1HA GLY 35 1HA GLY 35 -7.150 21.043 -2.715 87 2HA GLY 35 2HA GLY 35 -7.751 19.391 -2.770 88 H SER 36 H SER 36 -5.102 18.667 -1.406 89 HA SER 36 HA SER 36 -5.795 19.580 1.305 90 1HB SER 36 1HB SER 36 -4.964 17.326 2.072 91 2HB SER 36 2HB SER 36 -6.443 17.255 1.110 92 HG SER 36 HG SER 36 -4.967 15.694 0.388 93 HA PRO 37 HA PRO 37 -1.537 20.849 1.692 94 1HB PRO 37 1HB PRO 37 -0.997 20.125 4.281 95 2HB PRO 37 2HB PRO 37 -1.912 21.568 3.830 96 1HG PRO 37 1HG PRO 37 -2.908 18.895 4.732 97 2HG PRO 37 2HG PRO 37 -3.481 20.515 5.176 98 1HD PRO 37 1HD PRO 37 -4.773 18.986 3.369 99 2HD PRO 37 2HD PRO 37 -4.698 20.754 3.225 100 H ALA 38 H ALA 38 -2.549 17.621 2.166 101 HA ALA 38 HA ALA 38 -0.128 16.324 2.741 102 1HB ALA 38 1HB ALA 38 -2.301 15.256 3.026 103 2HB ALA 38 2HB ALA 38 -1.264 14.294 1.969 104 3HB ALA 38 3HB ALA 38 -2.553 15.282 1.279 105 H SER 39 H SER 39 -1.360 17.687 -0.168 106 HA SER 39 HA SER 39 0.042 16.110 -2.044 107 1HB SER 39 1HB SER 39 -1.911 17.590 -2.564 108 2HB SER 39 2HB SER 39 -0.856 18.987 -2.353 109 HG SER 39 HG SER 39 -0.205 18.693 -4.320 110 H LYS 40 H LYS 40 1.058 18.645 0.058 111 HA LYS 40 HA LYS 40 3.543 18.972 -1.480 112 1HB LYS 40 1HB LYS 40 2.100 20.992 -0.901 113 2HB LYS 40 2HB LYS 40 2.578 20.733 0.771 114 1HG LYS 40 1HG LYS 40 4.889 21.104 0.227 115 2HG LYS 40 2HG LYS 40 4.504 21.209 -1.494 116 1HD LYS 40 1HD LYS 40 3.102 23.192 -1.023 117 2HD LYS 40 2HD LYS 40 3.586 23.101 0.673 118 1HE LYS 40 1HE LYS 40 5.908 23.450 0.047 119 2HE LYS 40 2HE LYS 40 5.462 23.462 -1.659 120 1HZ LYS 40 1HZ LYS 40 4.121 25.446 -1.240 121 2HZ LYS 40 2HZ LYS 40 5.748 25.701 -0.838 122 3HZ LYS 40 3HZ LYS 40 4.605 25.443 0.388 123 H VAL 41 H VAL 41 2.331 17.227 1.003 124 HA VAL 41 HA VAL 41 4.820 17.266 2.571 125 HB VAL 41 HB VAL 41 2.115 16.114 3.289 126 1HG1 VAL 41 1HG1 VAL 41 3.072 15.696 5.500 127 2HG1 VAL 41 2HG1 VAL 41 4.643 16.257 4.928 128 3HG1 VAL 41 3HG1 VAL 41 3.931 14.793 4.253 129 1HG2 VAL 41 1HG2 VAL 41 3.598 18.506 4.371 130 2HG2 VAL 41 2HG2 VAL 41 2.066 17.882 4.983 131 3HG2 VAL 41 3HG2 VAL 41 2.159 18.547 3.352 132 H LEU 42 H LEU 42 2.463 15.055 1.089 133 HA LEU 42 HA LEU 42 4.383 12.865 1.309 134 1HB LEU 42 1HB LEU 42 1.508 12.883 0.375 135 2HB LEU 42 2HB LEU 42 2.511 11.453 0.514 136 HG LEU 42 HG LEU 42 1.643 13.215 2.804 137 1HD1 LEU 42 1HD1 LEU 42 -0.187 11.911 1.856 138 2HD1 LEU 42 2HD1 LEU 42 0.266 11.319 3.457 139 3HD1 LEU 42 3HD1 LEU 42 0.775 10.441 2.012 140 1HD2 LEU 42 1HD2 LEU 42 3.836 12.215 3.177 141 2HD2 LEU 42 2HD2 LEU 42 3.179 10.624 2.794 142 3HD2 LEU 42 3HD2 LEU 42 2.614 11.490 4.222 143 H THR 43 H THR 43 4.299 11.362 -0.725 144 HA THR 43 HA THR 43 4.269 12.907 -3.201 145 HB THR 43 HB THR 43 6.685 11.312 -2.304 146 HG1 THR 43 HG1 THR 43 5.955 13.863 -1.821 147 1HG2 THR 43 1HG2 THR 43 7.762 12.218 -4.312 148 2HG2 THR 43 2HG2 THR 43 6.262 13.033 -4.760 149 3HG2 THR 43 3HG2 THR 43 6.336 11.269 -4.742 150 HA PRO 44 HA PRO 44 2.381 9.096 -4.508 151 1HB PRO 44 1HB PRO 44 2.553 9.571 -7.212 152 2HB PRO 44 2HB PRO 44 1.281 10.212 -6.164 153 1HG PRO 44 1HG PRO 44 3.751 11.542 -7.188 154 2HG PRO 44 2HG PRO 44 2.119 12.205 -6.981 155 1HD PRO 44 1HD PRO 44 4.124 12.715 -5.239 156 2HD PRO 44 2HD PRO 44 2.427 12.595 -4.730 157 H GLY 45 H GLY 45 3.075 7.127 -5.162 158 1HA GLY 45 1HA GLY 45 4.516 5.595 -6.220 159 2HA GLY 45 2HA GLY 45 5.665 6.894 -6.499 160 H LEU 46 H LEU 46 4.728 7.104 -3.309 161 HA LEU 46 HA LEU 46 7.207 5.842 -2.447 162 1HB LEU 46 1HB LEU 46 5.166 7.408 -0.870 163 2HB LEU 46 2HB LEU 46 6.695 6.828 -0.244 164 HG LEU 46 HG LEU 46 6.294 8.933 -2.368 165 1HD1 LEU 46 1HD1 LEU 46 7.476 9.062 0.402 166 2HD1 LEU 46 2HD1 LEU 46 5.897 9.684 -0.079 167 3HD1 LEU 46 3HD1 LEU 46 7.366 10.400 -0.744 168 1HD2 LEU 46 1HD2 LEU 46 8.224 7.562 -2.930 169 2HD2 LEU 46 2HD2 LEU 46 8.854 7.754 -1.295 170 3HD2 LEU 46 3HD2 LEU 46 8.735 9.152 -2.365 171 H VAL 47 H VAL 47 7.173 4.505 -0.404 172 HA VAL 47 HA VAL 47 4.949 2.574 -0.584 173 HB VAL 47 HB VAL 47 7.752 2.104 0.453 174 1HG1 VAL 47 1HG1 VAL 47 7.146 -0.266 0.403 175 2HG1 VAL 47 2HG1 VAL 47 5.511 0.160 -0.098 176 3HG1 VAL 47 3HG1 VAL 47 6.099 0.643 1.492 177 1HG2 VAL 47 1HG2 VAL 47 6.495 1.340 -2.183 178 2HG2 VAL 47 2HG2 VAL 47 8.065 0.780 -1.610 179 3HG2 VAL 47 3HG2 VAL 47 7.806 2.493 -1.937 180 H ILE 48 H ILE 48 3.727 2.161 1.174 181 HA ILE 48 HA ILE 48 4.282 3.766 3.571 182 HB ILE 48 HB ILE 48 1.717 2.358 2.802 183 1HG1 ILE 48 1HG1 ILE 48 2.442 5.282 2.514 184 2HG1 ILE 48 2HG1 ILE 48 2.347 4.131 1.185 185 1HG2 ILE 48 1HG2 ILE 48 0.696 3.805 4.496 186 2HG2 ILE 48 2HG2 ILE 48 2.285 4.465 4.889 187 3HG2 ILE 48 3HG2 ILE 48 1.938 2.762 5.195 188 1HD1 ILE 48 1HD1 ILE 48 -0.031 3.820 1.626 189 2HD1 ILE 48 2HD1 ILE 48 0.355 5.512 1.309 190 3HD1 ILE 48 3HD1 ILE 48 0.067 4.968 2.962 191 H GLU 49 H GLU 49 4.894 2.843 5.407 192 HA GLU 49 HA GLU 49 4.938 -0.047 5.612 193 1HB GLU 49 1HB GLU 49 5.981 2.129 7.418 194 2HB GLU 49 2HB GLU 49 6.114 0.415 7.783 195 1HG GLU 49 1HG GLU 49 7.106 0.858 5.157 196 2HG GLU 49 2HG GLU 49 7.847 2.030 6.249 197 H SER 50 H SER 50 3.492 2.718 7.345 198 HA SER 50 HA SER 50 1.240 1.215 8.169 199 1HB SER 50 1HB SER 50 1.807 1.240 10.653 200 2HB SER 50 2HB SER 50 2.675 0.055 9.675 201 HG SER 50 HG SER 50 4.407 1.609 9.574 202 H ILE 51 H ILE 51 -0.180 2.378 9.584 203 HA ILE 51 HA ILE 51 0.291 5.284 9.618 204 HB ILE 51 HB ILE 51 -2.324 3.826 10.106 205 1HG1 ILE 51 1HG1 ILE 51 -1.514 3.316 7.843 206 2HG1 ILE 51 2HG1 ILE 51 -2.935 4.351 7.797 207 1HG2 ILE 51 1HG2 ILE 51 -3.308 6.025 9.474 208 2HG2 ILE 51 2HG2 ILE 51 -1.677 6.699 9.480 209 3HG2 ILE 51 3HG2 ILE 51 -2.373 6.056 10.970 210 1HD1 ILE 51 1HD1 ILE 51 -1.500 6.292 7.393 211 2HD1 ILE 51 2HD1 ILE 51 -1.302 5.052 6.156 212 3HD1 ILE 51 3HD1 ILE 51 -0.084 5.240 7.416 213 H ASN 52 H ASN 52 -0.749 6.313 11.705 214 HA ASN 52 HA ASN 52 0.786 5.539 13.847 215 1HB ASN 52 1HB ASN 52 -0.550 7.102 15.192 216 2HB ASN 52 2HB ASN 52 -0.086 7.789 13.648 217 1HD2 ASN 52 1HD2 ASN 52 -2.239 8.468 15.505 218 2HD2 ASN 52 2HD2 ASN 52 -3.707 8.377 14.588 219 H GLY 53 H GLY 53 0.695 3.524 14.581 220 1HA GLY 53 1HA GLY 53 -0.019 1.886 16.036 221 2HA GLY 53 2HA GLY 53 -1.467 2.834 16.335 222 H MET 54 H MET 54 -1.088 2.466 13.048 223 HA MET 54 HA MET 54 -2.679 0.005 12.970 224 1HB MET 54 1HB MET 54 -3.456 2.639 11.696 225 2HB MET 54 2HB MET 54 -4.240 1.103 11.362 226 1HG MET 54 1HG MET 54 -5.034 0.938 13.602 227 2HG MET 54 2HG MET 54 -4.077 2.327 14.099 228 1HE MET 54 1HE MET 54 -5.875 5.286 12.326 229 2HE MET 54 2HE MET 54 -4.522 4.356 11.682 230 3HE MET 54 3HE MET 54 -4.556 4.793 13.390 231 HA PRO 55 HA PRO 55 0.570 -0.164 9.741 232 1HB PRO 55 1HB PRO 55 0.160 -3.042 10.031 233 2HB PRO 55 2HB PRO 55 1.642 -2.107 10.204 234 1HG PRO 55 1HG PRO 55 0.400 -3.233 12.319 235 2HG PRO 55 2HG PRO 55 1.290 -1.704 12.440 236 1HD PRO 55 1HD PRO 55 -1.658 -2.175 12.272 237 2HD PRO 55 2HD PRO 55 -0.759 -0.989 13.241 238 H THR 56 H THR 56 0.199 -0.299 7.605 239 HA THR 56 HA THR 56 -2.458 -1.239 6.799 240 HB THR 56 HB THR 56 -1.977 0.211 4.742 241 HG1 THR 56 HG1 THR 56 0.204 0.623 5.012 242 1HG2 THR 56 1HG2 THR 56 -3.576 0.791 6.517 243 2HG2 THR 56 2HG2 THR 56 -2.748 2.219 5.891 244 3HG2 THR 56 3HG2 THR 56 -2.268 1.531 7.444 245 H SER 57 H SER 57 -2.123 -3.335 6.323 246 HA SER 57 HA SER 57 -0.115 -4.011 4.288 247 1HB SER 57 1HB SER 57 -1.936 -5.921 5.775 248 2HB SER 57 2HB SER 57 -0.405 -6.276 4.973 249 HG SER 57 HG SER 57 0.613 -5.734 6.726 250 H ASN 58 H ASN 58 -3.429 -3.310 4.690 251 HA ASN 58 HA ASN 58 -4.014 -4.432 2.029 252 1HB ASN 58 1HB ASN 58 -5.839 -4.412 4.446 253 2HB ASN 58 2HB ASN 58 -6.361 -4.811 2.814 254 1HD2 ASN 58 1HD2 ASN 58 -3.870 -6.217 2.191 255 2HD2 ASN 58 2HD2 ASN 58 -3.953 -7.729 3.031 256 H LEU 59 H LEU 59 -5.757 -3.317 0.899 257 HA LEU 59 HA LEU 59 -5.553 -0.486 1.203 258 1HB LEU 59 1HB LEU 59 -7.124 -2.282 -0.643 259 2HB LEU 59 2HB LEU 59 -7.119 -0.542 -0.756 260 HG LEU 59 HG LEU 59 -4.662 -2.262 -1.019 261 1HD1 LEU 59 1HD1 LEU 59 -6.226 -2.595 -2.877 262 2HD1 LEU 59 2HD1 LEU 59 -4.748 -1.773 -3.381 263 3HD1 LEU 59 3HD1 LEU 59 -6.239 -0.854 -3.160 264 1HD2 LEU 59 1HD2 LEU 59 -3.608 -0.216 -1.823 265 2HD2 LEU 59 2HD2 LEU 59 -4.210 -0.016 -0.179 266 3HD2 LEU 59 3HD2 LEU 59 -5.102 0.675 -1.532 267 H THR 60 H THR 60 -7.879 -2.986 1.934 268 HA THR 60 HA THR 60 -10.046 -1.284 2.645 269 HB THR 60 HB THR 60 -9.431 -4.118 3.528 270 HG1 THR 60 HG1 THR 60 -11.152 -3.164 1.453 271 1HG2 THR 60 1HG2 THR 60 -12.022 -2.559 3.608 272 2HG2 THR 60 2HG2 THR 60 -11.073 -3.070 5.004 273 3HG2 THR 60 3HG2 THR 60 -11.848 -4.276 3.978 274 H THR 61 H THR 61 -7.326 -2.678 4.468 275 HA THR 61 HA THR 61 -8.281 -1.803 6.995 276 HB THR 61 HB THR 61 -5.839 -2.103 7.693 277 HG1 THR 61 HG1 THR 61 -4.503 -3.112 6.242 278 1HG2 THR 61 1HG2 THR 61 -5.980 -4.552 7.578 279 2HG2 THR 61 2HG2 THR 61 -7.293 -4.413 6.409 280 3HG2 THR 61 3HG2 THR 61 -7.514 -3.829 8.060 281 H TYR 62 H TYR 62 -6.254 -0.388 4.511 282 HA TYR 62 HA TYR 62 -5.475 1.962 5.834 283 1HB TYR 62 1HB TYR 62 -4.748 1.049 3.541 284 2HB TYR 62 2HB TYR 62 -6.214 1.785 2.910 285 HD1 TYR 62 HD1 TYR 62 -6.450 4.273 2.932 286 HD2 TYR 62 HD2 TYR 62 -2.827 2.340 4.040 287 HE1 TYR 62 HE1 TYR 62 -5.227 6.382 2.604 288 HE2 TYR 62 HE2 TYR 62 -1.599 4.441 3.723 289 HH TYR 62 HH TYR 62 -3.129 7.441 3.339 290 H SER 63 H SER 63 -8.310 1.202 3.880 291 HA SER 63 HA SER 63 -9.636 3.652 4.113 292 1HB SER 63 1HB SER 63 -10.377 0.865 3.399 293 2HB SER 63 2HB SER 63 -11.628 2.071 3.542 294 HG SER 63 HG SER 63 -9.460 2.896 2.073 295 H ALA 64 H ALA 64 -9.852 0.678 6.014 296 HA ALA 64 HA ALA 64 -12.000 1.440 7.652 297 1HB ALA 64 1HB ALA 64 -11.289 -0.359 9.133 298 2HB ALA 64 2HB ALA 64 -9.740 -0.449 8.296 299 3HB ALA 64 3HB ALA 64 -11.229 -0.875 7.448 300 H ALA 65 H ALA 65 -8.557 2.024 7.877 301 HA ALA 65 HA ALA 65 -8.575 3.099 10.509 302 1HB ALA 65 1HB ALA 65 -6.623 3.574 8.252 303 2HB ALA 65 2HB ALA 65 -6.518 2.289 9.456 304 3HB ALA 65 3HB ALA 65 -6.358 3.974 9.950 305 H LEU 66 H LEU 66 -8.727 4.503 7.274 306 HA LEU 66 HA LEU 66 -8.741 7.187 7.877 307 1HB LEU 66 1HB LEU 66 -9.785 5.466 5.690 308 2HB LEU 66 2HB LEU 66 -10.272 7.136 5.725 309 HG LEU 66 HG LEU 66 -7.434 6.135 5.577 310 1HD1 LEU 66 1HD1 LEU 66 -9.163 7.497 3.517 311 2HD1 LEU 66 2HD1 LEU 66 -8.669 5.805 3.505 312 3HD1 LEU 66 3HD1 LEU 66 -7.460 7.075 3.323 313 1HD2 LEU 66 1HD2 LEU 66 -6.825 8.484 5.241 314 2HD2 LEU 66 2HD2 LEU 66 -7.576 8.234 6.819 315 3HD2 LEU 66 3HD2 LEU 66 -8.507 8.956 5.506 316 H LYS 67 H LYS 67 -11.382 4.868 7.852 317 HA LYS 67 HA LYS 67 -13.555 6.582 8.116 318 1HB LYS 67 1HB LYS 67 -13.089 3.763 9.049 319 2HB LYS 67 2HB LYS 67 -14.620 4.582 9.327 320 1HG LYS 67 1HG LYS 67 -13.410 4.316 6.591 321 2HG LYS 67 2HG LYS 67 -14.476 3.093 7.287 322 1HD LYS 67 1HD LYS 67 -15.221 6.003 7.011 323 2HD LYS 67 2HD LYS 67 -15.618 4.775 5.805 324 1HE LYS 67 1HE LYS 67 -16.896 3.537 7.467 325 2HE LYS 67 2HE LYS 67 -16.454 4.711 8.707 326 1HZ LYS 67 1HZ LYS 67 -18.711 5.006 7.730 327 2HZ LYS 67 2HZ LYS 67 -17.979 5.420 6.255 328 3HZ LYS 67 3HZ LYS 67 -17.723 6.378 7.628 329 H THR 68 H THR 68 -11.215 5.642 10.533 330 HA THR 68 HA THR 68 -12.916 6.744 12.647 331 HB THR 68 HB THR 68 -11.155 5.852 14.199 332 HG1 THR 68 HG1 THR 68 -9.831 5.460 11.929 333 1HG2 THR 68 1HG2 THR 68 -12.548 3.883 12.392 334 2HG2 THR 68 2HG2 THR 68 -13.237 4.659 13.817 335 3HG2 THR 68 3HG2 THR 68 -11.901 3.524 13.992 336 H ILE 69 H ILE 69 -10.358 7.707 10.651 337 HA ILE 69 HA ILE 69 -8.887 9.256 12.545 338 HB ILE 69 HB ILE 69 -8.943 9.543 9.534 339 1HG1 ILE 69 1HG1 ILE 69 -8.246 7.297 10.218 340 2HG1 ILE 69 2HG1 ILE 69 -6.878 8.199 9.576 341 1HG2 ILE 69 1HG2 ILE 69 -6.758 10.639 9.827 342 2HG2 ILE 69 2HG2 ILE 69 -6.959 10.541 11.577 343 3HG2 ILE 69 3HG2 ILE 69 -8.062 11.526 10.616 344 1HD1 ILE 69 1HD1 ILE 69 -6.105 8.636 11.847 345 2HD1 ILE 69 2HD1 ILE 69 -6.250 6.907 11.530 346 3HD1 ILE 69 3HD1 ILE 69 -7.479 7.735 12.488 347 H SER 70 H SER 70 -9.247 11.240 13.276 348 HA SER 70 HA SER 70 -11.749 12.504 12.639 349 1HB SER 70 1HB SER 70 -9.564 13.439 14.511 350 2HB SER 70 2HB SER 70 -11.243 13.981 14.493 351 HG SER 70 HG SER 70 -10.407 11.300 14.980 352 H VAL 71 H VAL 71 -11.898 14.839 12.224 353 HA VAL 71 HA VAL 71 -10.030 15.694 10.179 354 HB VAL 71 HB VAL 71 -12.471 17.100 11.289 355 1HG1 VAL 71 1HG1 VAL 71 -10.856 18.621 10.239 356 2HG1 VAL 71 2HG1 VAL 71 -12.348 18.494 9.307 357 3HG1 VAL 71 3HG1 VAL 71 -10.900 17.640 8.774 358 1HG2 VAL 71 1HG2 VAL 71 -13.076 14.994 10.239 359 2HG2 VAL 71 2HG2 VAL 71 -12.151 15.427 8.801 360 3HG2 VAL 71 3HG2 VAL 71 -13.590 16.351 9.234 361 H GLY 72 H GLY 72 -8.399 17.128 10.498 362 1HA GLY 72 1HA GLY 72 -7.179 18.799 11.603 363 2HA GLY 72 2HA GLY 72 -8.373 18.783 12.899 364 H GLU 73 H GLU 73 -7.366 15.744 11.886 365 HA GLU 73 HA GLU 73 -5.945 15.262 14.371 366 1HB GLU 73 1HB GLU 73 -7.663 13.682 13.399 367 2HB GLU 73 2HB GLU 73 -6.512 13.366 12.116 368 1HG GLU 73 1HG GLU 73 -6.279 11.595 13.623 369 2HG GLU 73 2HG GLU 73 -4.889 12.643 13.883 370 H VAL 74 H VAL 74 -3.818 14.591 14.463 371 HA VAL 74 HA VAL 74 -2.287 14.894 11.974 372 HB VAL 74 HB VAL 74 -1.264 15.283 14.804 373 1HG1 VAL 74 1HG1 VAL 74 0.791 16.062 13.748 374 2HG1 VAL 74 2HG1 VAL 74 0.120 15.692 12.159 375 3HG1 VAL 74 3HG1 VAL 74 0.440 14.392 13.306 376 1HG2 VAL 74 1HG2 VAL 74 -2.744 17.094 14.081 377 2HG2 VAL 74 2HG2 VAL 74 -1.758 17.319 12.636 378 3HG2 VAL 74 3HG2 VAL 74 -1.074 17.637 14.230 379 H ILE 75 H ILE 75 -2.041 12.923 11.206 380 HA ILE 75 HA ILE 75 -1.750 10.689 13.065 381 HB ILE 75 HB ILE 75 -2.201 9.252 11.092 382 1HG1 ILE 75 1HG1 ILE 75 -2.731 11.889 9.694 383 2HG1 ILE 75 2HG1 ILE 75 -1.383 10.810 9.355 384 1HG2 ILE 75 1HG2 ILE 75 -3.994 9.900 12.592 385 2HG2 ILE 75 2HG2 ILE 75 -4.582 9.801 10.934 386 3HG2 ILE 75 3HG2 ILE 75 -4.265 11.374 11.663 387 1HD1 ILE 75 1HD1 ILE 75 -4.295 10.172 8.966 388 2HD1 ILE 75 2HD1 ILE 75 -2.948 9.087 8.626 389 3HD1 ILE 75 3HD1 ILE 75 -3.137 10.575 7.700 390 H ASN 76 H ASN 76 -0.290 8.958 12.472 391 HA ASN 76 HA ASN 76 2.257 10.027 11.500 392 1HB ASN 76 1HB ASN 76 2.473 9.168 13.710 393 2HB ASN 76 2HB ASN 76 1.526 7.738 13.325 394 1HD2 ASN 76 1HD2 ASN 76 3.054 6.331 14.034 395 2HD2 ASN 76 2HD2 ASN 76 4.546 6.049 13.205 396 H ILE 77 H ILE 77 2.906 9.442 9.536 397 HA ILE 77 HA ILE 77 2.020 6.823 8.478 398 HB ILE 77 HB ILE 77 2.539 9.330 6.850 399 1HG1 ILE 77 1HG1 ILE 77 -0.076 7.929 7.457 400 2HG1 ILE 77 2HG1 ILE 77 0.436 9.462 8.150 401 1HG2 ILE 77 1HG2 ILE 77 1.661 7.996 4.975 402 2HG2 ILE 77 2HG2 ILE 77 1.580 6.590 6.037 403 3HG2 ILE 77 3HG2 ILE 77 3.141 7.318 5.653 404 1HD1 ILE 77 1HD1 ILE 77 -0.119 8.925 5.244 405 2HD1 ILE 77 2HD1 ILE 77 0.432 10.461 5.914 406 3HD1 ILE 77 3HD1 ILE 77 -1.151 9.820 6.361 407 H THR 78 H THR 78 3.719 5.615 8.790 408 HA THR 78 HA THR 78 6.391 6.661 8.308 409 HB THR 78 HB THR 78 5.565 3.919 9.283 410 HG1 THR 78 HG1 THR 78 5.434 6.251 10.527 411 1HG2 THR 78 1HG2 THR 78 7.813 3.982 8.312 412 2HG2 THR 78 2HG2 THR 78 7.888 3.763 10.061 413 3HG2 THR 78 3HG2 THR 78 8.231 5.342 9.352 414 H THR 79 H THR 79 7.104 6.608 6.284 415 HA THR 79 HA THR 79 6.256 4.393 4.549 416 HB THR 79 HB THR 79 7.076 5.724 2.668 417 HG1 THR 79 HG1 THR 79 7.991 7.427 4.738 418 1HG2 THR 79 1HG2 THR 79 5.494 7.616 2.797 419 2HG2 THR 79 2HG2 THR 79 5.294 7.304 4.522 420 3HG2 THR 79 3HG2 THR 79 4.780 6.099 3.343 421 H ASP 80 H ASP 80 8.075 3.685 2.982 422 HA ASP 80 HA ASP 80 10.326 2.840 4.539 423 1HB ASP 80 1HB ASP 80 9.397 1.450 2.717 424 2HB ASP 80 2HB ASP 80 9.892 2.670 1.544 425 H GLN 81 H GLN 81 9.546 5.613 2.810 426 HA GLN 81 HA GLN 81 12.315 6.392 2.354 427 1HB GLN 81 1HB GLN 81 9.679 7.626 1.560 428 2HB GLN 81 2HB GLN 81 11.201 8.466 1.365 429 1HG GLN 81 1HG GLN 81 10.546 7.490 -0.721 430 2HG GLN 81 2HG GLN 81 11.989 6.682 -0.120 431 1HE2 GLN 81 1HE2 GLN 81 11.901 4.544 0.407 432 2HE2 GLN 81 2HE2 GLN 81 10.537 3.548 0.079 433 H GLY 82 H GLY 82 10.553 6.261 4.966 434 1HA GLY 82 1HA GLY 82 11.713 7.477 6.854 435 2HA GLY 82 2HA GLY 82 11.356 8.935 5.939 436 H THR 83 H THR 83 10.554 8.653 8.560 437 HA THR 83 HA THR 83 7.714 7.991 8.548 438 HB THR 83 HB THR 83 9.391 9.139 10.795 439 HG1 THR 83 HG1 THR 83 10.119 7.047 10.019 440 1HG2 THR 83 1HG2 THR 83 6.739 7.694 10.822 441 2HG2 THR 83 2HG2 THR 83 6.977 9.421 11.086 442 3HG2 THR 83 3HG2 THR 83 7.623 8.253 12.240 443 H PHE 84 H PHE 84 6.126 9.481 8.299 444 HA PHE 84 HA PHE 84 6.844 12.323 8.610 445 1HB PHE 84 1HB PHE 84 5.009 11.203 6.482 446 2HB PHE 84 2HB PHE 84 5.446 12.891 6.700 447 HD1 PHE 84 HD1 PHE 84 6.183 9.921 4.965 448 HD2 PHE 84 HD2 PHE 84 8.000 13.417 6.573 449 HE1 PHE 84 HE1 PHE 84 8.104 9.612 3.459 450 HE2 PHE 84 HE2 PHE 84 9.923 13.112 5.069 451 HZ PHE 84 HZ PHE 84 9.975 11.208 3.513 452 H HIS 85 H HIS 85 5.131 13.711 9.215 453 HA HIS 85 HA HIS 85 2.838 12.343 10.462 454 1HB HIS 85 1HB HIS 85 3.958 15.103 11.029 455 2HB HIS 85 2HB HIS 85 2.588 14.368 11.841 456 HD1 HIS 85 HD1 HIS 85 5.988 15.039 12.391 457 HD2 HIS 85 HD2 HIS 85 3.555 11.741 13.115 458 HE1 HIS 85 HE1 HIS 85 7.167 13.698 14.166 459 HE2 HIS 85 HE2 HIS 85 5.564 11.841 14.746 460 H LEU 86 H LEU 86 0.789 12.899 9.815 461 HA LEU 86 HA LEU 86 0.647 15.036 7.787 462 1HB LEU 86 1HB LEU 86 0.432 12.674 6.883 463 2HB LEU 86 2HB LEU 86 -1.076 12.582 7.772 464 HG LEU 86 HG LEU 86 -1.958 14.476 6.473 465 1HD1 LEU 86 1HD1 LEU 86 0.614 14.225 4.925 466 2HD1 LEU 86 2HD1 LEU 86 0.157 15.574 5.965 467 3HD1 LEU 86 3HD1 LEU 86 -0.762 15.246 4.495 468 1HD2 LEU 86 1HD2 LEU 86 -0.916 12.178 4.826 469 2HD2 LEU 86 2HD2 LEU 86 -2.220 13.270 4.358 470 3HD2 LEU 86 3HD2 LEU 86 -2.417 12.205 5.750 471 H LYS 87 H LYS 87 -0.976 16.423 7.918 472 HA LYS 87 HA LYS 87 -2.795 16.173 10.204 473 1HB LYS 87 1HB LYS 87 -1.396 18.168 10.292 474 2HB LYS 87 2HB LYS 87 -1.894 18.623 8.671 475 1HG LYS 87 1HG LYS 87 -4.189 18.922 9.466 476 2HG LYS 87 2HG LYS 87 -3.673 18.485 11.094 477 1HD LYS 87 1HD LYS 87 -3.845 20.923 10.782 478 2HD LYS 87 2HD LYS 87 -2.205 20.409 11.183 479 1HE LYS 87 1HE LYS 87 -1.562 20.560 8.843 480 2HE LYS 87 2HE LYS 87 -3.211 20.998 8.399 481 1HZ LYS 87 1HZ LYS 87 -3.019 23.048 9.528 482 2HZ LYS 87 2HZ LYS 87 -1.606 22.887 8.600 483 3HZ LYS 87 3HZ LYS 87 -1.560 22.597 10.271 484 H THR 88 H THR 88 -4.840 15.702 9.767 485 HA THR 88 HA THR 88 -5.692 15.521 7.023 486 HB THR 88 HB THR 88 -7.805 14.649 8.007 487 HG1 THR 88 HG1 THR 88 -7.665 14.222 10.335 488 1HG2 THR 88 1HG2 THR 88 -6.792 12.594 8.920 489 2HG2 THR 88 2HG2 THR 88 -5.238 13.421 9.028 490 3HG2 THR 88 3HG2 THR 88 -5.976 13.134 7.452 491 H GLY 89 H GLY 89 -6.874 16.897 5.901 492 1HA GLY 89 1HA GLY 89 -7.702 19.376 7.197 493 2HA GLY 89 2HA GLY 89 -7.534 19.114 5.466 494 H ARG 90 H ARG 90 -9.676 20.274 5.607 495 HA ARG 90 HA ARG 90 -11.800 18.281 5.949 496 1HB ARG 90 1HB ARG 90 -13.323 20.050 6.804 497 2HB ARG 90 2HB ARG 90 -12.008 19.637 7.889 498 1HG ARG 90 1HG ARG 90 -11.845 22.010 6.065 499 2HG ARG 90 2HG ARG 90 -12.643 22.095 7.638 500 1HD ARG 90 1HD ARG 90 -10.482 21.158 8.600 501 2HD ARG 90 2HD ARG 90 -9.756 21.510 7.031 502 HE ARG 90 HE ARG 90 -10.951 23.858 7.755 503 1HH1 ARG 90 1HH1 ARG 90 -8.514 21.765 9.143 504 2HH1 ARG 90 2HH1 ARG 90 -7.786 23.022 10.098 505 1HH2 ARG 90 1HH2 ARG 90 -10.006 25.519 9.025 506 2HH2 ARG 90 2HH2 ARG 90 -8.650 25.138 10.042 507 H ASN 91 H ASN 91 -11.752 17.926 3.763 508 HA ASN 91 HA ASN 91 -13.421 19.848 2.318 509 1HB ASN 91 1HB ASN 91 -10.920 18.513 1.278 510 2HB ASN 91 2HB ASN 91 -12.202 19.026 0.187 511 1HD2 ASN 91 1HD2 ASN 91 -9.649 20.054 2.288 512 2HD2 ASN 91 2HD2 ASN 91 -9.669 21.721 1.834 513 HA PRO 92 HA PRO 92 -15.873 16.131 2.394 514 1HB PRO 92 1HB PRO 92 -17.472 17.650 0.424 515 2HB PRO 92 2HB PRO 92 -17.977 16.886 1.933 516 1HG PRO 92 1HG PRO 92 -17.741 19.544 1.742 517 2HG PRO 92 2HG PRO 92 -17.301 18.678 3.226 518 1HD PRO 92 1HD PRO 92 -15.540 19.832 1.109 519 2HD PRO 92 2HD PRO 92 -15.293 19.755 2.865 520 H ASN 93 H ASN 93 -16.191 14.412 1.105 521 HA ASN 93 HA ASN 93 -15.409 14.532 -1.722 522 1HB ASN 93 1HB ASN 93 -13.475 13.825 -0.169 523 2HB ASN 93 2HB ASN 93 -14.411 12.372 0.146 524 1HD2 ASN 93 1HD2 ASN 93 -14.537 10.792 -1.409 525 2HD2 ASN 93 2HD2 ASN 93 -13.594 10.813 -2.856 526 H ASN 94 H ASN 94 -17.939 14.442 -0.476 527 HA ASN 94 HA ASN 94 -19.886 13.336 -0.246 528 1HB ASN 94 1HB ASN 94 -18.572 11.590 -2.310 529 2HB ASN 94 2HB ASN 94 -20.134 11.150 -1.621 530 1HD2 ASN 94 1HD2 ASN 94 -18.425 13.372 -3.655 531 2HD2 ASN 94 2HD2 ASN 94 -19.817 14.159 -4.312 532 H SER 95 H SER 95 -19.557 13.040 1.892 533 HA SER 95 HA SER 95 -19.472 11.916 3.851 534 1HB SER 95 1HB SER 95 -20.706 10.109 2.580 535 2HB SER 95 2HB SER 95 -19.144 9.353 2.276 536 HG SER 95 HG SER 95 -20.102 8.439 4.105 537 H SER 96 H SER 96 -17.915 9.859 4.754 538 HA SER 96 HA SER 96 -15.833 9.264 5.397 539 1HB SER 96 1HB SER 96 -14.867 10.671 2.898 540 2HB SER 96 2HB SER 96 -13.913 9.587 3.913 541 HG SER 96 HG SER 96 -16.335 8.821 2.657 542 H ARG 97 H ARG 97 -14.075 10.084 6.571 543 HA ARG 97 HA ARG 97 -14.131 12.996 7.015 544 1HB ARG 97 1HB ARG 97 -14.121 10.717 8.926 545 2HB ARG 97 2HB ARG 97 -13.135 12.108 9.344 546 1HG ARG 97 1HG ARG 97 -15.327 12.233 10.371 547 2HG ARG 97 2HG ARG 97 -15.086 13.550 9.226 548 1HD ARG 97 1HD ARG 97 -16.416 12.392 7.570 549 2HD ARG 97 2HD ARG 97 -16.587 11.004 8.645 550 HE ARG 97 HE ARG 97 -17.528 13.310 9.962 551 1HH1 ARG 97 1HH1 ARG 97 -18.402 11.118 7.374 552 2HH1 ARG 97 2HH1 ARG 97 -20.107 11.443 7.494 553 1HH2 ARG 97 1HH2 ARG 97 -19.752 13.699 10.174 554 2HH2 ARG 97 2HH2 ARG 97 -20.883 12.912 9.110 555 H ALA 98 H ALA 98 -12.072 13.826 7.939 556 HA ALA 98 HA ALA 98 -9.838 14.193 7.853 557 1HB ALA 98 1HB ALA 98 -8.343 12.318 8.159 558 2HB ALA 98 2HB ALA 98 -9.620 11.188 7.709 559 3HB ALA 98 3HB ALA 98 -9.759 12.131 9.193 560 H TYR 99 H TYR 99 -9.739 15.251 5.881 561 HA TYR 99 HA TYR 99 -9.842 13.721 3.446 562 1HB TYR 99 1HB TYR 99 -10.892 15.980 3.658 563 2HB TYR 99 2HB TYR 99 -9.275 16.674 3.739 564 HD1 TYR 99 HD1 TYR 99 -11.322 14.416 1.586 565 HD2 TYR 99 HD2 TYR 99 -8.279 17.383 1.764 566 HE1 TYR 99 HE1 TYR 99 -11.238 14.462 -0.865 567 HE2 TYR 99 HE2 TYR 99 -8.186 17.441 -0.692 568 HH TYR 99 HH TYR 99 -8.726 15.923 -2.585 569 H MET 100 H MET 100 -8.080 12.448 3.329 570 HA MET 100 HA MET 100 -5.431 13.614 3.381 571 1HB MET 100 1HB MET 100 -5.868 11.310 4.217 572 2HB MET 100 2HB MET 100 -6.303 10.830 2.584 573 1HG MET 100 1HG MET 100 -4.053 11.274 1.814 574 2HG MET 100 2HG MET 100 -3.600 11.863 3.417 575 1HE MET 100 1HE MET 100 -5.108 9.831 5.317 576 2HE MET 100 2HE MET 100 -3.431 10.306 5.573 577 3HE MET 100 3HE MET 100 -3.873 8.597 5.572 578 H GLY 101 H GLY 101 -7.292 11.764 0.947 579 1HA GLY 101 1HA GLY 101 -7.889 12.538 -1.177 580 2HA GLY 101 2HA GLY 101 -6.781 13.887 -0.978 581 H ILE 102 H ILE 102 -5.632 10.664 -0.360 582 HA ILE 102 HA ILE 102 -4.309 10.709 -2.997 583 HB ILE 102 HB ILE 102 -2.347 9.713 -2.115 584 1HG1 ILE 102 1HG1 ILE 102 -3.629 9.625 0.626 585 2HG1 ILE 102 2HG1 ILE 102 -3.561 8.239 -0.457 586 1HG2 ILE 102 1HG2 ILE 102 -1.575 11.385 -0.488 587 2HG2 ILE 102 2HG2 ILE 102 -3.242 11.912 -0.258 588 3HG2 ILE 102 3HG2 ILE 102 -2.462 12.114 -1.826 589 1HD1 ILE 102 1HD1 ILE 102 -1.197 9.712 0.681 590 2HD1 ILE 102 2HD1 ILE 102 -1.126 8.332 -0.416 591 3HD1 ILE 102 3HD1 ILE 102 -1.803 8.138 1.201 592 H ARG 103 H ARG 103 -4.150 8.827 -4.113 593 HA ARG 103 HA ARG 103 -5.913 6.663 -3.273 594 1HB ARG 103 1HB ARG 103 -4.667 7.520 -5.832 595 2HB ARG 103 2HB ARG 103 -4.938 5.798 -5.626 596 1HG ARG 103 1HG ARG 103 -6.779 6.812 -6.818 597 2HG ARG 103 2HG ARG 103 -7.316 6.215 -5.252 598 1HD ARG 103 1HD ARG 103 -6.499 9.075 -5.586 599 2HD ARG 103 2HD ARG 103 -8.106 8.543 -6.078 600 HE ARG 103 HE ARG 103 -7.546 7.667 -3.445 601 1HH1 ARG 103 1HH1 ARG 103 -8.419 10.526 -5.275 602 2HH1 ARG 103 2HH1 ARG 103 -9.150 11.320 -3.906 603 1HH2 ARG 103 1HH2 ARG 103 -8.513 8.701 -1.672 604 2HH2 ARG 103 2HH2 ARG 103 -9.197 10.287 -1.866 605 H THR 104 H THR 104 -5.186 4.616 -2.792 606 HA THR 104 HA THR 104 -2.288 4.375 -2.401 607 HB THR 104 HB THR 104 -4.304 2.622 -1.039 608 HG1 THR 104 HG1 THR 104 -3.428 4.918 0.301 609 1HG2 THR 104 1HG2 THR 104 -1.607 3.689 -0.193 610 2HG2 THR 104 2HG2 THR 104 -1.918 2.079 -0.843 611 3HG2 THR 104 3HG2 THR 104 -2.600 2.548 0.714 612 H SER 105 H SER 105 -1.298 2.415 -2.928 613 HA SER 105 HA SER 105 -2.795 0.777 -4.860 614 1HB SER 105 1HB SER 105 -1.077 2.164 -5.949 615 2HB SER 105 2HB SER 105 0.152 1.494 -4.882 616 HG SER 105 HG SER 105 -0.172 0.565 -7.115 617 H ASN 106 H ASN 106 -1.500 -1.373 -5.177 618 HA ASN 106 HA ASN 106 -1.237 -2.505 -2.481 619 1HB ASN 106 1HB ASN 106 -3.256 -3.051 -4.128 620 2HB ASN 106 2HB ASN 106 -2.086 -4.174 -4.811 621 1HD2 ASN 106 1HD2 ASN 106 -2.366 -3.266 -1.420 622 2HD2 ASN 106 2HD2 ASN 106 -2.835 -4.824 -0.864 623 H HIS 107 H HIS 107 1.032 -1.689 -3.144 624 HA HIS 107 HA HIS 107 2.453 -3.868 -4.532 625 1HB HIS 107 1HB HIS 107 2.742 -0.932 -4.692 626 2HB HIS 107 2HB HIS 107 4.247 -1.836 -4.597 627 HD1 HIS 107 HD1 HIS 107 5.143 -1.914 -6.903 628 HD2 HIS 107 HD2 HIS 107 1.037 -2.562 -6.815 629 HE1 HIS 107 HE1 HIS 107 4.497 -2.466 -9.265 630 HE2 HIS 107 HE2 HIS 107 1.983 -2.616 -9.227 631 H LEU 108 H LEU 108 4.388 -4.591 -3.668 632 HA LEU 108 HA LEU 108 4.755 -4.065 -0.832 633 1HB LEU 108 1HB LEU 108 5.951 -6.111 -2.700 634 2HB LEU 108 2HB LEU 108 6.429 -5.947 -1.022 635 HG LEU 108 HG LEU 108 3.650 -6.592 -1.957 636 1HD1 LEU 108 1HD1 LEU 108 5.787 -8.382 -0.820 637 2HD1 LEU 108 2HD1 LEU 108 5.139 -8.423 -2.462 638 3HD1 LEU 108 3HD1 LEU 108 4.106 -8.848 -1.094 639 1HD2 LEU 108 1HD2 LEU 108 3.242 -7.136 0.400 640 2HD2 LEU 108 2HD2 LEU 108 3.657 -5.439 0.166 641 3HD2 LEU 108 3HD2 LEU 108 4.864 -6.563 0.796 642 H ARG 109 H ARG 109 7.403 -4.582 -0.536 643 HA ARG 109 HA ARG 109 8.496 -2.001 -1.277 644 1HB ARG 109 1HB ARG 109 8.659 -3.198 1.024 645 2HB ARG 109 2HB ARG 109 9.947 -4.128 0.274 646 1HG ARG 109 1HG ARG 109 11.233 -2.132 -0.115 647 2HG ARG 109 2HG ARG 109 9.913 -1.125 0.492 648 1HD ARG 109 1HD ARG 109 11.725 -2.982 1.992 649 2HD ARG 109 2HD ARG 109 11.339 -1.292 2.326 650 HE ARG 109 HE ARG 109 9.357 -3.452 2.651 651 1HH1 ARG 109 1HH1 ARG 109 11.017 -0.622 3.904 652 2HH1 ARG 109 2HH1 ARG 109 10.053 -0.569 5.355 653 1HH2 ARG 109 1HH2 ARG 109 8.084 -3.345 4.510 654 2HH2 ARG 109 2HH2 ARG 109 8.367 -2.088 5.689 655 H VAL 110 H VAL 110 10.057 -1.634 -2.732 656 HA VAL 110 HA VAL 110 11.061 -3.935 -4.255 657 HB VAL 110 HB VAL 110 11.118 -1.012 -5.012 658 1HG1 VAL 110 1HG1 VAL 110 11.588 -1.842 -7.273 659 2HG1 VAL 110 2HG1 VAL 110 11.641 -3.490 -6.646 660 3HG1 VAL 110 3HG1 VAL 110 12.840 -2.307 -6.123 661 1HG2 VAL 110 1HG2 VAL 110 8.823 -1.776 -4.850 662 2HG2 VAL 110 2HG2 VAL 110 9.191 -3.165 -5.871 663 3HG2 VAL 110 3HG2 VAL 110 9.268 -1.534 -6.538 664 H ARG 111 H ARG 111 13.187 -4.401 -4.314 665 HA ARG 111 HA ARG 111 15.086 -2.524 -3.109 666 1HB ARG 111 1HB ARG 111 14.705 -5.421 -2.373 667 2HB ARG 111 2HB ARG 111 16.186 -4.547 -2.016 668 1HG ARG 111 1HG ARG 111 14.942 -2.974 -0.635 669 2HG ARG 111 2HG ARG 111 13.439 -3.817 -1.017 670 1HD ARG 111 1HD ARG 111 15.813 -5.078 0.354 671 2HD ARG 111 2HD ARG 111 14.404 -4.430 1.193 672 HE ARG 111 HE ARG 111 13.074 -6.115 -0.060 673 1HH1 ARG 111 1HH1 ARG 111 16.518 -6.620 0.397 674 2HH1 ARG 111 2HH1 ARG 111 16.408 -8.351 0.312 675 1HH2 ARG 111 1HH2 ARG 111 12.917 -8.381 -0.173 676 2HH2 ARG 111 2HH2 ARG 111 14.347 -9.360 -0.015 677 H ASP 112 H ASP 112 17.372 -3.912 -3.284 678 HA ASP 112 HA ASP 112 17.974 -3.798 -6.055 679 1HB ASP 112 1HB ASP 112 19.647 -4.868 -3.771 680 2HB ASP 112 2HB ASP 112 20.237 -4.520 -5.392 681 H SER 113 H SER 113 16.802 -5.328 -7.156 682 HA SER 113 HA SER 113 17.975 -7.991 -7.056 683 1HB SER 113 1HB SER 113 14.993 -7.488 -6.877 684 2HB SER 113 2HB SER 113 15.720 -9.064 -7.201 685 HG SER 113 HG SER 113 16.805 -7.841 -5.014 686 H VAL 114 H VAL 114 18.088 -5.662 -8.823 687 HA VAL 114 HA VAL 114 16.765 -6.705 -11.231 688 HB VAL 114 HB VAL 114 18.077 -4.069 -11.188 689 1HG1 VAL 114 1HG1 VAL 114 15.669 -5.151 -12.604 690 2HG1 VAL 114 2HG1 VAL 114 17.275 -4.896 -13.287 691 3HG1 VAL 114 3HG1 VAL 114 16.300 -3.513 -12.788 692 1HG2 VAL 114 1HG2 VAL 114 15.309 -4.542 -10.101 693 2HG2 VAL 114 2HG2 VAL 114 16.045 -2.963 -10.392 694 3HG2 VAL 114 3HG2 VAL 114 16.713 -4.038 -9.163 695 H ALA 115 H ALA 115 17.977 -7.738 -12.602 696 HA ALA 115 HA ALA 115 20.739 -6.875 -13.059 697 1HB ALA 115 1HB ALA 115 19.909 -9.753 -12.704 698 2HB ALA 115 2HB ALA 115 20.857 -8.803 -11.557 699 3HB ALA 115 3HB ALA 115 21.521 -9.187 -13.148 700 H SER 116 H SER 116 17.824 -7.159 -14.283 701 HA SER 116 HA SER 116 18.323 -8.572 -16.731 702 1HB SER 116 1HB SER 116 16.011 -6.750 -16.033 703 2HB SER 116 2HB SER 116 16.049 -7.984 -17.293 704 HG SER 116 HG SER 116 16.667 -9.291 -15.165 705 H VAL 117 H VAL 117 18.513 -7.686 -18.790 706 HA VAL 117 HA VAL 117 19.660 -5.074 -18.994 707 HB VAL 117 HB VAL 117 19.671 -5.457 -21.423 708 1HG1 VAL 117 1HG1 VAL 117 21.489 -6.352 -20.075 709 2HG1 VAL 117 2HG1 VAL 117 21.145 -7.419 -21.438 710 3HG1 VAL 117 3HG1 VAL 117 20.582 -7.843 -19.818 711 1HG2 VAL 117 1HG2 VAL 117 18.212 -8.021 -20.778 712 2HG2 VAL 117 2HG2 VAL 117 18.865 -7.578 -22.356 713 3HG2 VAL 117 3HG2 VAL 117 17.548 -6.638 -21.649 714 H LEU 118 H LEU 118 18.796 -3.250 -20.070 715 HA LEU 118 HA LEU 118 15.963 -2.962 -19.577 716 1HB LEU 118 1HB LEU 118 18.080 -1.011 -20.480 717 2HB LEU 118 2HB LEU 118 16.399 -0.574 -20.275 718 HG LEU 118 HG LEU 118 17.545 0.159 -18.338 719 1HD1 LEU 118 1HD1 LEU 118 16.088 -2.402 -17.713 720 2HD1 LEU 118 2HD1 LEU 118 15.376 -0.795 -17.880 721 3HD1 LEU 118 3HD1 LEU 118 16.477 -1.139 -16.548 722 1HD2 LEU 118 1HD2 LEU 118 18.886 -1.307 -16.908 723 2HD2 LEU 118 2HD2 LEU 118 19.562 -1.175 -18.532 724 3HD2 LEU 118 3HD2 LEU 118 18.668 -2.621 -18.064 725 H GLY 119 H GLY 119 18.016 -2.113 -22.380 726 1HA GLY 119 1HA GLY 119 17.591 -2.410 -24.645 727 2HA GLY 119 2HA GLY 119 16.104 -3.254 -24.226 728 H ASP 120 H ASP 120 16.195 -0.467 -22.520 729 HA ASP 120 HA ASP 120 15.053 1.462 -22.535 730 1HB ASP 120 1HB ASP 120 16.275 1.347 -25.190 731 2HB ASP 120 2HB ASP 120 14.872 2.409 -25.087 732 H THR 121 H THR 121 13.069 0.695 -21.917 733 HA THR 121 HA THR 121 11.080 0.062 -23.891 734 HB THR 121 HB THR 121 10.904 -0.851 -21.596 735 HG1 THR 121 HG1 THR 121 8.834 -0.881 -21.942 736 1HG2 THR 121 1HG2 THR 121 11.781 1.044 -20.334 737 2HG2 THR 121 2HG2 THR 121 10.185 0.583 -19.741 738 3HG2 THR 121 3HG2 THR 121 10.366 2.003 -20.771 739 H LEU 122 H LEU 122 9.724 1.477 -24.892 740 HA LEU 122 HA LEU 122 10.282 4.313 -24.333 741 1HB LEU 122 1HB LEU 122 9.535 2.999 -26.943 742 2HB LEU 122 2HB LEU 122 9.784 4.719 -26.718 743 HG LEU 122 HG LEU 122 11.894 2.590 -26.355 744 1HD1 LEU 122 1HD1 LEU 122 11.288 2.830 -28.680 745 2HD1 LEU 122 2HD1 LEU 122 12.876 3.538 -28.388 746 3HD1 LEU 122 3HD1 LEU 122 11.465 4.581 -28.572 747 1HD2 LEU 122 1HD2 LEU 122 12.105 5.596 -26.298 748 2HD2 LEU 122 2HD2 LEU 122 13.447 4.458 -26.196 749 3HD2 LEU 122 3HD2 LEU 122 12.243 4.519 -24.910 750 HA PRO 123 HA PRO 123 5.792 4.475 -23.818 751 1HB PRO 123 1HB PRO 123 5.787 6.214 -21.779 752 2HB PRO 123 2HB PRO 123 6.139 4.502 -21.516 753 1HG PRO 123 1HG PRO 123 7.989 6.829 -21.583 754 2HG PRO 123 2HG PRO 123 8.084 5.342 -20.626 755 1HD PRO 123 1HD PRO 123 9.477 5.896 -23.011 756 2HD PRO 123 2HD PRO 123 9.342 4.322 -22.208 757 H PHE 124 H PHE 124 4.600 6.847 -23.342 758 HA PHE 124 HA PHE 124 5.576 8.495 -25.547 759 1HB PHE 124 1HB PHE 124 3.141 7.768 -25.384 760 2HB PHE 124 2HB PHE 124 2.996 8.882 -24.027 761 HD1 PHE 124 HD1 PHE 124 2.863 11.234 -24.374 762 HD2 PHE 124 HD2 PHE 124 3.651 8.629 -27.641 763 HE1 PHE 124 HE1 PHE 124 2.471 13.088 -25.942 764 HE2 PHE 124 HE2 PHE 124 3.260 10.479 -29.213 765 HZ PHE 124 HZ PHE 124 2.670 12.712 -28.364 766 H ALA 125 H ALA 125 6.841 10.156 -25.115 767 HA ALA 125 HA ALA 125 6.628 11.442 -22.477 768 1HB ALA 125 1HB ALA 125 9.127 11.042 -24.116 769 2HB ALA 125 2HB ALA 125 8.684 10.125 -22.675 770 3HB ALA 125 3HB ALA 125 9.025 11.853 -22.554 Start of MODEL 12 1 H GLN 23 H GLN 23 -4.628 -11.457 -2.919 2 HA GLN 23 HA GLN 23 -4.264 -11.554 0.003 3 1HB GLN 23 1HB GLN 23 -2.365 -12.500 -2.141 4 2HB GLN 23 2HB GLN 23 -1.905 -12.286 -0.457 5 1HG GLN 23 1HG GLN 23 -3.645 -13.933 0.172 6 2HG GLN 23 2HG GLN 23 -3.951 -14.206 -1.543 7 1HE2 GLN 23 1HE2 GLN 23 -3.004 -16.033 0.534 8 2HE2 GLN 23 2HE2 GLN 23 -1.475 -16.642 -0.018 9 HA PRO 24 HA PRO 24 -2.755 -7.373 -1.033 10 1HB PRO 24 1HB PRO 24 -3.857 -6.694 1.575 11 2HB PRO 24 2HB PRO 24 -4.290 -6.048 -0.010 12 1HG PRO 24 1HG PRO 24 -5.961 -7.617 1.443 13 2HG PRO 24 2HG PRO 24 -5.956 -7.597 -0.332 14 1HD PRO 24 1HD PRO 24 -4.684 -9.565 1.546 15 2HD PRO 24 2HD PRO 24 -5.609 -9.863 0.055 16 H ASP 25 H ASP 25 -1.038 -6.238 0.023 17 HA ASP 25 HA ASP 25 0.080 -7.118 2.475 18 1HB ASP 25 1HB ASP 25 0.673 -9.098 1.141 19 2HB ASP 25 2HB ASP 25 1.512 -8.067 -0.015 20 H GLY 26 H GLY 26 0.038 -4.897 2.759 21 1HA GLY 26 1HA GLY 26 1.291 -2.983 3.107 22 2HA GLY 26 2HA GLY 26 2.480 -3.576 1.969 23 H VAL 27 H VAL 27 0.452 -1.154 2.478 24 HA VAL 27 HA VAL 27 -0.445 -0.875 -0.296 25 HB VAL 27 HB VAL 27 -1.800 1.015 0.496 26 1HG1 VAL 27 1HG1 VAL 27 -3.389 -0.246 1.855 27 2HG1 VAL 27 2HG1 VAL 27 -2.161 -1.472 2.160 28 3HG1 VAL 27 3HG1 VAL 27 -2.768 -1.221 0.523 29 1HG2 VAL 27 1HG2 VAL 27 -0.657 0.353 3.205 30 2HG2 VAL 27 2HG2 VAL 27 -2.002 1.456 2.914 31 3HG2 VAL 27 3HG2 VAL 27 -0.397 1.834 2.287 32 H GLN 28 H GLN 28 0.093 0.956 -1.556 33 HA GLN 28 HA GLN 28 2.202 2.649 -0.394 34 1HB GLN 28 1HB GLN 28 3.313 2.688 -2.585 35 2HB GLN 28 2HB GLN 28 3.301 1.090 -1.863 36 1HG GLN 28 1HG GLN 28 1.528 0.395 -3.340 37 2HG GLN 28 2HG GLN 28 1.398 2.024 -4.000 38 1HE2 GLN 28 1HE2 GLN 28 4.292 2.419 -4.002 39 2HE2 GLN 28 2HE2 GLN 28 4.907 1.485 -5.324 40 H ILE 29 H ILE 29 2.447 4.737 -1.448 41 HA ILE 29 HA ILE 29 -0.143 5.868 -2.084 42 HB ILE 29 HB ILE 29 1.614 7.932 -2.440 43 1HG1 ILE 29 1HG1 ILE 29 2.733 6.153 -0.260 44 2HG1 ILE 29 2HG1 ILE 29 3.545 6.590 -1.762 45 1HG2 ILE 29 1HG2 ILE 29 0.345 7.035 0.135 46 2HG2 ILE 29 2HG2 ILE 29 -0.443 7.954 -1.149 47 3HG2 ILE 29 3HG2 ILE 29 0.885 8.672 -0.237 48 1HD1 ILE 29 1HD1 ILE 29 2.782 8.483 0.451 49 2HD1 ILE 29 2HD1 ILE 29 3.594 8.923 -1.051 50 3HD1 ILE 29 3HD1 ILE 29 4.399 7.871 0.111 51 H ASP 30 H ASP 30 -0.893 5.811 -4.031 52 HA ASP 30 HA ASP 30 0.691 5.084 -6.279 53 1HB ASP 30 1HB ASP 30 -1.668 4.428 -5.982 54 2HB ASP 30 2HB ASP 30 -2.150 6.104 -6.169 55 H SER 31 H SER 31 -1.333 7.953 -5.712 56 HA SER 31 HA SER 31 0.644 9.654 -6.952 57 1HB SER 31 1HB SER 31 -1.099 10.473 -8.654 58 2HB SER 31 2HB SER 31 -0.305 8.932 -8.979 59 HG SER 31 HG SER 31 -2.126 7.852 -8.491 60 H VAL 32 H VAL 32 0.370 11.792 -6.532 61 HA VAL 32 HA VAL 32 -1.539 12.463 -4.441 62 HB VAL 32 HB VAL 32 0.741 14.057 -5.623 63 1HG1 VAL 32 1HG1 VAL 32 0.475 15.522 -3.675 64 2HG1 VAL 32 2HG1 VAL 32 -0.933 14.593 -3.167 65 3HG1 VAL 32 3HG1 VAL 32 -0.978 15.511 -4.672 66 1HG2 VAL 32 1HG2 VAL 32 1.935 13.527 -3.564 67 2HG2 VAL 32 2HG2 VAL 32 1.497 12.058 -4.437 68 3HG2 VAL 32 3HG2 VAL 32 0.573 12.550 -3.017 69 H VAL 33 H VAL 33 -3.296 13.780 -4.735 70 HA VAL 33 HA VAL 33 -3.710 14.793 -7.451 71 HB VAL 33 HB VAL 33 -6.127 14.803 -6.847 72 1HG1 VAL 33 1HG1 VAL 33 -5.181 13.000 -8.161 73 2HG1 VAL 33 2HG1 VAL 33 -6.418 12.373 -7.071 74 3HG1 VAL 33 3HG1 VAL 33 -4.709 12.151 -6.687 75 1HG2 VAL 33 1HG2 VAL 33 -6.886 13.499 -4.934 76 2HG2 VAL 33 2HG2 VAL 33 -5.909 14.873 -4.416 77 3HG2 VAL 33 3HG2 VAL 33 -5.213 13.252 -4.433 78 HA PRO 34 HA PRO 34 -3.452 18.949 -5.877 79 1HB PRO 34 1HB PRO 34 -4.985 19.660 -8.293 80 2HB PRO 34 2HB PRO 34 -3.365 20.161 -7.805 81 1HG PRO 34 1HG PRO 34 -3.746 18.449 -9.828 82 2HG PRO 34 2HG PRO 34 -2.362 18.289 -8.729 83 1HD PRO 34 1HD PRO 34 -4.944 16.767 -8.762 84 2HD PRO 34 2HD PRO 34 -3.289 16.169 -8.516 85 H GLY 35 H GLY 35 -4.749 20.326 -4.751 86 1HA GLY 35 1HA GLY 35 -6.937 21.350 -4.387 87 2HA GLY 35 2HA GLY 35 -7.656 19.807 -4.839 88 H SER 36 H SER 36 -5.279 18.616 -3.280 89 HA SER 36 HA SER 36 -6.413 18.932 -0.588 90 1HB SER 36 1HB SER 36 -5.356 16.413 -1.851 91 2HB SER 36 2HB SER 36 -6.028 16.548 -0.232 92 HG SER 36 HG SER 36 -7.429 17.095 -2.641 93 HA PRO 37 HA PRO 37 -2.227 19.590 0.762 94 1HB PRO 37 1HB PRO 37 -2.543 17.926 3.131 95 2HB PRO 37 2HB PRO 37 -2.462 19.685 3.014 96 1HG PRO 37 1HG PRO 37 -4.722 18.344 3.701 97 2HG PRO 37 2HG PRO 37 -4.743 19.904 2.857 98 1HD PRO 37 1HD PRO 37 -5.100 17.142 1.755 99 2HD PRO 37 2HD PRO 37 -5.982 18.633 1.362 100 H ALA 38 H ALA 38 -0.406 18.237 2.067 101 HA ALA 38 HA ALA 38 0.999 16.462 2.266 102 1HB ALA 38 1HB ALA 38 -0.931 14.973 2.448 103 2HB ALA 38 2HB ALA 38 0.393 14.222 1.555 104 3HB ALA 38 3HB ALA 38 -1.005 14.857 0.692 105 H SER 39 H SER 39 0.123 17.965 -0.556 106 HA SER 39 HA SER 39 1.420 16.557 -2.576 107 1HB SER 39 1HB SER 39 1.301 19.565 -2.425 108 2HB SER 39 2HB SER 39 1.245 18.542 -3.861 109 HG SER 39 HG SER 39 -0.785 17.731 -3.040 110 H LYS 40 H LYS 40 2.713 18.676 -0.125 111 HA LYS 40 HA LYS 40 5.410 18.270 -1.241 112 1HB LYS 40 1HB LYS 40 4.204 20.638 0.169 113 2HB LYS 40 2HB LYS 40 5.945 20.409 0.088 114 1HG LYS 40 1HG LYS 40 4.197 20.479 -2.355 115 2HG LYS 40 2HG LYS 40 4.933 21.923 -1.656 116 1HD LYS 40 1HD LYS 40 7.156 20.904 -1.927 117 2HD LYS 40 2HD LYS 40 6.401 19.484 -2.653 118 1HE LYS 40 1HE LYS 40 5.699 20.705 -4.545 119 2HE LYS 40 2HE LYS 40 6.027 22.251 -3.768 120 1HZ LYS 40 1HZ LYS 40 8.081 20.257 -4.580 121 2HZ LYS 40 2HZ LYS 40 8.386 21.747 -3.831 122 3HZ LYS 40 3HZ LYS 40 7.726 21.703 -5.386 123 H VAL 41 H VAL 41 3.722 16.753 0.747 124 HA VAL 41 HA VAL 41 5.553 16.888 3.056 125 HB VAL 41 HB VAL 41 2.796 15.649 2.887 126 1HG1 VAL 41 1HG1 VAL 41 4.230 14.404 4.412 127 2HG1 VAL 41 2HG1 VAL 41 3.012 15.309 5.310 128 3HG1 VAL 41 3HG1 VAL 41 4.674 15.897 5.240 129 1HG2 VAL 41 1HG2 VAL 41 3.745 18.110 4.355 130 2HG2 VAL 41 2HG2 VAL 41 2.118 17.435 4.404 131 3HG2 VAL 41 3HG2 VAL 41 2.752 18.095 2.897 132 H LEU 42 H LEU 42 3.871 14.625 0.889 133 HA LEU 42 HA LEU 42 6.013 12.697 1.442 134 1HB LEU 42 1HB LEU 42 4.198 11.038 0.553 135 2HB LEU 42 2HB LEU 42 4.249 11.514 2.232 136 HG LEU 42 HG LEU 42 2.517 13.323 1.513 137 1HD1 LEU 42 1HD1 LEU 42 2.730 12.994 -0.889 138 2HD1 LEU 42 2HD1 LEU 42 1.091 12.626 -0.348 139 3HD1 LEU 42 3HD1 LEU 42 2.214 11.316 -0.717 140 1HD2 LEU 42 1HD2 LEU 42 2.080 11.433 3.009 141 2HD2 LEU 42 2HD2 LEU 42 1.764 10.409 1.608 142 3HD2 LEU 42 3HD2 LEU 42 0.704 11.777 1.957 143 H THR 43 H THR 43 6.162 11.050 -0.373 144 HA THR 43 HA THR 43 6.146 12.511 -2.932 145 HB THR 43 HB THR 43 8.043 10.277 -2.192 146 HG1 THR 43 HG1 THR 43 8.304 12.203 -0.845 147 1HG2 THR 43 1HG2 THR 43 8.106 12.364 -4.375 148 2HG2 THR 43 2HG2 THR 43 7.735 10.653 -4.588 149 3HG2 THR 43 3HG2 THR 43 9.349 11.151 -4.078 150 HA PRO 44 HA PRO 44 3.322 9.275 -4.198 151 1HB PRO 44 1HB PRO 44 3.487 9.814 -6.890 152 2HB PRO 44 2HB PRO 44 2.424 10.671 -5.767 153 1HG PRO 44 1HG PRO 44 5.095 11.477 -6.846 154 2HG PRO 44 2HG PRO 44 3.652 12.470 -6.563 155 1HD PRO 44 1HD PRO 44 5.757 12.484 -4.875 156 2HD PRO 44 2HD PRO 44 4.088 12.678 -4.300 157 H GLY 45 H GLY 45 3.577 7.215 -4.912 158 1HA GLY 45 1HA GLY 45 4.616 5.497 -6.174 159 2HA GLY 45 2HA GLY 45 6.023 6.526 -6.381 160 H LEU 46 H LEU 46 5.368 6.882 -3.227 161 HA LEU 46 HA LEU 46 7.395 4.949 -2.477 162 1HB LEU 46 1HB LEU 46 5.920 7.000 -0.833 163 2HB LEU 46 2HB LEU 46 7.208 5.980 -0.226 164 HG LEU 46 HG LEU 46 7.453 8.116 -2.340 165 1HD1 LEU 46 1HD1 LEU 46 7.262 8.944 -0.045 166 2HD1 LEU 46 2HD1 LEU 46 8.871 9.226 -0.711 167 3HD1 LEU 46 3HD1 LEU 46 8.610 7.911 0.436 168 1HD2 LEU 46 1HD2 LEU 46 9.581 6.297 -1.220 169 2HD2 LEU 46 2HD2 LEU 46 9.824 7.604 -2.379 170 3HD2 LEU 46 3HD2 LEU 46 8.887 6.184 -2.837 171 H VAL 47 H VAL 47 7.095 3.591 -0.522 172 HA VAL 47 HA VAL 47 4.425 2.373 -0.548 173 HB VAL 47 HB VAL 47 7.012 1.262 0.565 174 1HG1 VAL 47 1HG1 VAL 47 5.814 -0.873 0.619 175 2HG1 VAL 47 2HG1 VAL 47 4.346 -0.060 0.078 176 3HG1 VAL 47 3HG1 VAL 47 5.041 0.330 1.650 177 1HG2 VAL 47 1HG2 VAL 47 7.137 1.514 -1.850 178 2HG2 VAL 47 2HG2 VAL 47 5.601 0.669 -2.035 179 3HG2 VAL 47 3HG2 VAL 47 7.012 -0.190 -1.417 180 H ILE 48 H ILE 48 3.246 2.053 1.340 181 HA ILE 48 HA ILE 48 4.093 3.675 3.652 182 HB ILE 48 HB ILE 48 1.331 2.650 2.958 183 1HG1 ILE 48 1HG1 ILE 48 2.449 5.447 2.658 184 2HG1 ILE 48 2HG1 ILE 48 2.161 4.328 1.329 185 1HG2 ILE 48 1HG2 ILE 48 1.651 3.000 5.341 186 2HG2 ILE 48 2HG2 ILE 48 0.572 4.227 4.678 187 3HG2 ILE 48 3HG2 ILE 48 2.249 4.632 5.039 188 1HD1 ILE 48 1HD1 ILE 48 0.381 5.974 1.518 189 2HD1 ILE 48 2HD1 ILE 48 0.059 5.448 3.172 190 3HD1 ILE 48 3HD1 ILE 48 -0.224 4.346 1.825 191 H GLU 49 H GLU 49 4.643 2.650 5.469 192 HA GLU 49 HA GLU 49 4.161 -0.204 5.706 193 1HB GLU 49 1HB GLU 49 5.750 1.717 7.387 194 2HB GLU 49 2HB GLU 49 5.506 0.036 7.829 195 1HG GLU 49 1HG GLU 49 6.491 -0.497 5.522 196 2HG GLU 49 2HG GLU 49 7.061 1.173 5.543 197 H SER 50 H SER 50 3.370 2.797 7.460 198 HA SER 50 HA SER 50 1.090 1.495 8.632 199 1HB SER 50 1HB SER 50 1.887 1.978 10.990 200 2HB SER 50 2HB SER 50 2.687 0.639 10.170 201 HG SER 50 HG SER 50 4.255 1.917 11.130 202 H ILE 51 H ILE 51 -0.330 2.842 9.622 203 HA ILE 51 HA ILE 51 0.128 5.730 9.364 204 HB ILE 51 HB ILE 51 -2.425 4.322 10.210 205 1HG1 ILE 51 1HG1 ILE 51 -1.552 5.119 7.425 206 2HG1 ILE 51 2HG1 ILE 51 -1.798 3.476 8.014 207 1HG2 ILE 51 1HG2 ILE 51 -3.427 6.446 9.192 208 2HG2 ILE 51 2HG2 ILE 51 -1.795 7.110 9.289 209 3HG2 ILE 51 3HG2 ILE 51 -2.628 6.588 10.754 210 1HD1 ILE 51 1HD1 ILE 51 -3.654 4.220 6.630 211 2HD1 ILE 51 2HD1 ILE 51 -3.929 5.582 7.720 212 3HD1 ILE 51 3HD1 ILE 51 -4.177 3.931 8.290 213 H ASN 52 H ASN 52 -1.085 6.832 11.451 214 HA ASN 52 HA ASN 52 0.639 6.665 13.553 215 1HB ASN 52 1HB ASN 52 -1.113 8.425 13.058 216 2HB ASN 52 2HB ASN 52 -2.260 7.384 13.877 217 1HD2 ASN 52 1HD2 ASN 52 -1.230 10.069 14.469 218 2HD2 ASN 52 2HD2 ASN 52 -0.651 9.989 16.093 219 H GLY 53 H GLY 53 1.099 4.597 14.254 220 1HA GLY 53 1HA GLY 53 0.934 2.873 15.769 221 2HA GLY 53 2HA GLY 53 -0.588 3.558 16.312 222 H MET 54 H MET 54 -0.872 3.200 13.048 223 HA MET 54 HA MET 54 -2.163 0.570 13.380 224 1HB MET 54 1HB MET 54 -3.268 2.839 11.718 225 2HB MET 54 2HB MET 54 -4.066 1.334 12.145 226 1HG MET 54 1HG MET 54 -4.249 2.015 14.437 227 2HG MET 54 2HG MET 54 -3.292 3.462 14.125 228 1HE MET 54 1HE MET 54 -4.886 5.274 14.953 229 2HE MET 54 2HE MET 54 -5.827 3.951 15.646 230 3HE MET 54 3HE MET 54 -6.634 5.222 14.729 231 HA PRO 55 HA PRO 55 0.446 0.183 9.658 232 1HB PRO 55 1HB PRO 55 0.917 -2.451 9.887 233 2HB PRO 55 2HB PRO 55 1.809 -1.251 10.823 234 1HG PRO 55 1HG PRO 55 -0.451 -3.014 11.665 235 2HG PRO 55 2HG PRO 55 0.995 -2.534 12.570 236 1HD PRO 55 1HD PRO 55 -1.493 -1.395 12.885 237 2HD PRO 55 2HD PRO 55 0.037 -0.597 13.297 238 H THR 56 H THR 56 -0.361 -0.135 7.668 239 HA THR 56 HA THR 56 -2.791 -1.787 7.456 240 HB THR 56 HB THR 56 -3.427 -0.305 5.540 241 HG1 THR 56 HG1 THR 56 -1.218 0.559 5.312 242 1HG2 THR 56 1HG2 THR 56 -4.452 -0.017 7.732 243 2HG2 THR 56 2HG2 THR 56 -4.203 1.554 6.963 244 3HG2 THR 56 3HG2 THR 56 -3.113 1.016 8.242 245 H SER 57 H SER 57 -2.108 -3.652 6.631 246 HA SER 57 HA SER 57 -0.217 -3.710 4.420 247 1HB SER 57 1HB SER 57 -0.105 -5.386 6.267 248 2HB SER 57 2HB SER 57 -1.692 -5.985 5.789 249 HG SER 57 HG SER 57 0.792 -6.233 4.502 250 H ASN 58 H ASN 58 -3.654 -4.131 5.037 251 HA ASN 58 HA ASN 58 -4.054 -4.899 2.231 252 1HB ASN 58 1HB ASN 58 -5.943 -4.999 4.600 253 2HB ASN 58 2HB ASN 58 -6.331 -5.543 2.975 254 1HD2 ASN 58 1HD2 ASN 58 -6.783 -7.576 3.770 255 2HD2 ASN 58 2HD2 ASN 58 -5.532 -8.702 4.176 256 H LEU 59 H LEU 59 -5.776 -3.850 1.049 257 HA LEU 59 HA LEU 59 -5.902 -1.054 1.388 258 1HB LEU 59 1HB LEU 59 -7.469 -2.988 -0.317 259 2HB LEU 59 2HB LEU 59 -7.648 -1.258 -0.406 260 HG LEU 59 HG LEU 59 -5.093 -2.747 -0.984 261 1HD1 LEU 59 1HD1 LEU 59 -5.498 -2.135 -3.315 262 2HD1 LEU 59 2HD1 LEU 59 -7.048 -1.424 -2.861 263 3HD1 LEU 59 3HD1 LEU 59 -6.792 -3.160 -2.689 264 1HD2 LEU 59 1HD2 LEU 59 -4.700 -0.498 -0.108 265 2HD2 LEU 59 2HD2 LEU 59 -5.803 0.170 -1.311 266 3HD2 LEU 59 3HD2 LEU 59 -4.297 -0.585 -1.822 267 H THR 60 H THR 60 -7.978 -3.739 2.252 268 HA THR 60 HA THR 60 -10.239 -2.278 3.071 269 HB THR 60 HB THR 60 -9.424 -4.843 4.396 270 HG1 THR 60 HG1 THR 60 -10.714 -5.498 2.214 271 1HG2 THR 60 1HG2 THR 60 -11.826 -5.318 4.186 272 2HG2 THR 60 2HG2 THR 60 -12.054 -3.786 3.344 273 3HG2 THR 60 3HG2 THR 60 -11.550 -3.795 5.033 274 H THR 61 H THR 61 -7.343 -3.368 4.841 275 HA THR 61 HA THR 61 -8.211 -2.423 7.368 276 HB THR 61 HB THR 61 -5.728 -2.532 7.947 277 HG1 THR 61 HG1 THR 61 -5.210 -2.338 5.552 278 1HG2 THR 61 1HG2 THR 61 -7.049 -4.989 6.782 279 2HG2 THR 61 2HG2 THR 61 -7.248 -4.380 8.425 280 3HG2 THR 61 3HG2 THR 61 -5.682 -4.993 7.895 281 H TYR 62 H TYR 62 -6.626 -0.933 4.650 282 HA TYR 62 HA TYR 62 -5.784 1.455 5.925 283 1HB TYR 62 1HB TYR 62 -5.040 0.620 3.662 284 2HB TYR 62 2HB TYR 62 -6.611 1.098 3.036 285 HD1 TYR 62 HD1 TYR 62 -3.369 2.268 4.250 286 HD2 TYR 62 HD2 TYR 62 -7.168 3.452 2.738 287 HE1 TYR 62 HE1 TYR 62 -2.485 4.522 3.809 288 HE2 TYR 62 HE2 TYR 62 -6.296 5.703 2.295 289 HH TYR 62 HH TYR 62 -4.437 7.161 3.175 290 H SER 63 H SER 63 -8.740 0.397 4.368 291 HA SER 63 HA SER 63 -10.122 2.849 4.438 292 1HB SER 63 1HB SER 63 -10.737 0.855 3.041 293 2HB SER 63 2HB SER 63 -11.289 0.056 4.510 294 HG SER 63 HG SER 63 -12.873 1.276 3.123 295 H ALA 64 H ALA 64 -10.115 0.070 6.652 296 HA ALA 64 HA ALA 64 -12.053 1.070 8.425 297 1HB ALA 64 1HB ALA 64 -9.812 -0.851 9.030 298 2HB ALA 64 2HB ALA 64 -11.366 -1.291 8.324 299 3HB ALA 64 3HB ALA 64 -11.295 -0.642 9.962 300 H ALA 65 H ALA 65 -8.598 1.567 8.209 301 HA ALA 65 HA ALA 65 -8.322 2.777 10.786 302 1HB ALA 65 1HB ALA 65 -6.434 1.724 9.601 303 2HB ALA 65 2HB ALA 65 -6.095 3.400 10.041 304 3HB ALA 65 3HB ALA 65 -6.517 2.994 8.378 305 H LEU 66 H LEU 66 -8.678 3.961 7.475 306 HA LEU 66 HA LEU 66 -8.392 6.692 7.909 307 1HB LEU 66 1HB LEU 66 -8.719 5.208 5.754 308 2HB LEU 66 2HB LEU 66 -10.400 5.630 5.964 309 HG LEU 66 HG LEU 66 -8.247 7.717 5.759 310 1HD1 LEU 66 1HD1 LEU 66 -8.859 7.933 3.390 311 2HD1 LEU 66 2HD1 LEU 66 -9.905 6.518 3.542 312 3HD1 LEU 66 3HD1 LEU 66 -8.161 6.352 3.746 313 1HD2 LEU 66 1HD2 LEU 66 -11.224 7.810 5.269 314 2HD2 LEU 66 2HD2 LEU 66 -10.102 9.167 5.126 315 3HD2 LEU 66 3HD2 LEU 66 -10.398 8.428 6.700 316 H LYS 67 H LYS 67 -11.271 4.662 8.028 317 HA LYS 67 HA LYS 67 -13.171 6.661 8.454 318 1HB LYS 67 1HB LYS 67 -13.185 3.781 9.360 319 2HB LYS 67 2HB LYS 67 -14.589 4.839 9.377 320 1HG LYS 67 1HG LYS 67 -14.517 5.040 6.976 321 2HG LYS 67 2HG LYS 67 -13.030 4.095 6.910 322 1HD LYS 67 1HD LYS 67 -14.229 2.167 7.850 323 2HD LYS 67 2HD LYS 67 -15.718 3.117 7.867 324 1HE LYS 67 1HE LYS 67 -15.602 3.348 5.440 325 2HE LYS 67 2HE LYS 67 -14.100 2.426 5.413 326 1HZ LYS 67 1HZ LYS 67 -15.989 1.037 4.847 327 2HZ LYS 67 2HZ LYS 67 -16.740 1.409 6.322 328 3HZ LYS 67 3HZ LYS 67 -15.295 0.522 6.307 329 H THR 68 H THR 68 -10.910 5.234 10.698 330 HA THR 68 HA THR 68 -12.424 6.188 12.988 331 HB THR 68 HB THR 68 -10.580 5.219 14.351 332 HG1 THR 68 HG1 THR 68 -9.341 5.121 11.956 333 1HG2 THR 68 1HG2 THR 68 -12.590 3.930 13.838 334 2HG2 THR 68 2HG2 THR 68 -11.170 2.885 13.899 335 3HG2 THR 68 3HG2 THR 68 -11.850 3.355 12.342 336 H ILE 69 H ILE 69 -10.045 7.422 10.908 337 HA ILE 69 HA ILE 69 -8.680 9.070 12.827 338 HB ILE 69 HB ILE 69 -8.810 9.445 9.828 339 1HG1 ILE 69 1HG1 ILE 69 -7.998 7.198 10.340 340 2HG1 ILE 69 2HG1 ILE 69 -6.679 8.199 9.755 341 1HG2 ILE 69 1HG2 ILE 69 -7.983 11.403 11.002 342 2HG2 ILE 69 2HG2 ILE 69 -6.662 10.613 10.140 343 3HG2 ILE 69 3HG2 ILE 69 -6.822 10.410 11.884 344 1HD1 ILE 69 1HD1 ILE 69 -5.904 8.520 12.061 345 2HD1 ILE 69 2HD1 ILE 69 -5.947 6.817 11.600 346 3HD1 ILE 69 3HD1 ILE 69 -7.214 7.483 12.630 347 H SER 70 H SER 70 -9.005 11.258 13.259 348 HA SER 70 HA SER 70 -11.725 12.172 12.702 349 1HB SER 70 1HB SER 70 -9.687 13.485 14.497 350 2HB SER 70 2HB SER 70 -11.441 13.662 14.535 351 HG SER 70 HG SER 70 -9.823 11.615 15.510 352 H VAL 71 H VAL 71 -12.131 14.376 12.038 353 HA VAL 71 HA VAL 71 -10.479 15.278 9.894 354 HB VAL 71 HB VAL 71 -12.753 16.710 11.301 355 1HG1 VAL 71 1HG1 VAL 71 -11.357 18.259 10.053 356 2HG1 VAL 71 2HG1 VAL 71 -12.918 18.049 9.259 357 3HG1 VAL 71 3HG1 VAL 71 -11.488 17.241 8.616 358 1HG2 VAL 71 1HG2 VAL 71 -12.790 15.075 8.769 359 2HG2 VAL 71 2HG2 VAL 71 -14.163 15.904 9.500 360 3HG2 VAL 71 3HG2 VAL 71 -13.409 14.544 10.333 361 H GLY 72 H GLY 72 -8.808 16.692 9.944 362 1HA GLY 72 1HA GLY 72 -7.486 18.465 10.664 363 2HA GLY 72 2HA GLY 72 -8.620 18.735 11.982 364 H GLU 73 H GLU 73 -7.729 15.524 11.758 365 HA GLU 73 HA GLU 73 -6.055 15.763 14.130 366 1HB GLU 73 1HB GLU 73 -8.043 14.192 13.945 367 2HB GLU 73 2HB GLU 73 -7.076 13.256 12.824 368 1HG GLU 73 1HG GLU 73 -5.570 12.602 14.479 369 2HG GLU 73 2HG GLU 73 -6.114 13.860 15.592 370 H VAL 74 H VAL 74 -3.995 14.725 14.255 371 HA VAL 74 HA VAL 74 -2.672 14.684 11.629 372 HB VAL 74 HB VAL 74 -1.405 15.111 14.348 373 1HG1 VAL 74 1HG1 VAL 74 0.105 14.139 12.680 374 2HG1 VAL 74 2HG1 VAL 74 0.563 15.795 13.079 375 3HG1 VAL 74 3HG1 VAL 74 -0.280 15.452 11.566 376 1HG2 VAL 74 1HG2 VAL 74 -2.874 16.963 13.781 377 2HG2 VAL 74 2HG2 VAL 74 -2.105 17.112 12.200 378 3HG2 VAL 74 3HG2 VAL 74 -1.185 17.458 13.666 379 H ILE 75 H ILE 75 -1.944 12.832 10.889 380 HA ILE 75 HA ILE 75 -1.605 10.618 12.791 381 HB ILE 75 HB ILE 75 -1.839 9.135 10.750 382 1HG1 ILE 75 1HG1 ILE 75 -2.933 11.689 9.545 383 2HG1 ILE 75 2HG1 ILE 75 -1.441 10.895 9.059 384 1HG2 ILE 75 1HG2 ILE 75 -4.271 9.226 10.833 385 2HG2 ILE 75 2HG2 ILE 75 -4.193 10.825 11.575 386 3HG2 ILE 75 3HG2 ILE 75 -3.569 9.419 12.441 387 1HD1 ILE 75 1HD1 ILE 75 -4.222 9.783 8.793 388 2HD1 ILE 75 2HD1 ILE 75 -2.736 8.934 8.362 389 3HD1 ILE 75 3HD1 ILE 75 -3.198 10.399 7.497 390 H ASN 76 H ASN 76 0.098 9.144 12.429 391 HA ASN 76 HA ASN 76 2.479 10.439 11.319 392 1HB ASN 76 1HB ASN 76 2.630 10.022 13.700 393 2HB ASN 76 2HB ASN 76 2.121 8.353 13.481 394 1HD2 ASN 76 1HD2 ASN 76 3.558 6.856 12.718 395 2HD2 ASN 76 2HD2 ASN 76 5.263 7.147 12.665 396 H ILE 77 H ILE 77 3.028 9.676 9.380 397 HA ILE 77 HA ILE 77 2.213 6.927 8.658 398 HB ILE 77 HB ILE 77 2.829 9.271 6.832 399 1HG1 ILE 77 1HG1 ILE 77 0.176 7.987 7.544 400 2HG1 ILE 77 2HG1 ILE 77 0.743 9.550 8.131 401 1HG2 ILE 77 1HG2 ILE 77 1.912 7.822 5.061 402 2HG2 ILE 77 2HG2 ILE 77 1.768 6.505 6.226 403 3HG2 ILE 77 3HG2 ILE 77 3.360 7.131 5.795 404 1HD1 ILE 77 1HD1 ILE 77 0.211 8.845 5.254 405 2HD1 ILE 77 2HD1 ILE 77 0.722 10.420 5.868 406 3HD1 ILE 77 3HD1 ILE 77 -0.858 9.773 6.308 407 H THR 78 H THR 78 3.731 5.497 8.591 408 HA THR 78 HA THR 78 6.536 6.255 8.295 409 HB THR 78 HB THR 78 5.385 3.499 8.769 410 HG1 THR 78 HG1 THR 78 4.916 4.146 10.717 411 1HG2 THR 78 1HG2 THR 78 7.711 3.519 8.065 412 2HG2 THR 78 2HG2 THR 78 7.599 3.064 9.764 413 3HG2 THR 78 3HG2 THR 78 8.104 4.694 9.318 414 H THR 79 H THR 79 7.402 6.243 6.280 415 HA THR 79 HA THR 79 6.277 4.346 4.321 416 HB THR 79 HB THR 79 6.981 5.950 2.542 417 HG1 THR 79 HG1 THR 79 7.891 7.332 4.758 418 1HG2 THR 79 1HG2 THR 79 4.655 5.853 3.239 419 2HG2 THR 79 2HG2 THR 79 5.113 7.512 2.858 420 3HG2 THR 79 3HG2 THR 79 4.980 6.999 4.540 421 H ASP 80 H ASP 80 7.905 4.167 2.402 422 HA ASP 80 HA ASP 80 10.149 2.753 3.254 423 1HB ASP 80 1HB ASP 80 9.038 2.559 1.028 424 2HB ASP 80 2HB ASP 80 9.748 4.109 0.584 425 H GLN 81 H GLN 81 9.770 6.139 2.420 426 HA GLN 81 HA GLN 81 12.651 6.546 2.554 427 1HB GLN 81 1HB GLN 81 10.386 8.258 1.568 428 2HB GLN 81 2HB GLN 81 11.999 8.911 1.815 429 1HG GLN 81 1HG GLN 81 11.281 6.637 -0.024 430 2HG GLN 81 2HG GLN 81 11.626 8.296 -0.511 431 1HE2 GLN 81 1HE2 GLN 81 13.717 8.473 1.582 432 2HE2 GLN 81 2HE2 GLN 81 15.083 7.634 0.945 433 H GLY 82 H GLY 82 10.555 6.235 4.854 434 1HA GLY 82 1HA GLY 82 11.577 6.914 7.036 435 2HA GLY 82 2HA GLY 82 11.613 8.541 6.373 436 H THR 83 H THR 83 10.441 8.863 8.483 437 HA THR 83 HA THR 83 7.579 8.219 8.219 438 HB THR 83 HB THR 83 9.066 8.912 10.762 439 HG1 THR 83 HG1 THR 83 9.346 6.711 9.446 440 1HG2 THR 83 1HG2 THR 83 6.670 9.377 10.820 441 2HG2 THR 83 2HG2 THR 83 7.070 8.011 11.862 442 3HG2 THR 83 3HG2 THR 83 6.328 7.730 10.286 443 H PHE 84 H PHE 84 6.110 9.856 8.243 444 HA PHE 84 HA PHE 84 6.991 12.504 9.122 445 1HB PHE 84 1HB PHE 84 5.627 13.476 7.179 446 2HB PHE 84 2HB PHE 84 7.234 12.869 6.836 447 HD1 PHE 84 HD1 PHE 84 3.634 12.115 6.566 448 HD2 PHE 84 HD2 PHE 84 7.568 11.103 5.307 449 HE1 PHE 84 HE1 PHE 84 2.697 10.674 4.807 450 HE2 PHE 84 HE2 PHE 84 6.639 9.659 3.549 451 HZ PHE 84 HZ PHE 84 4.201 9.442 3.296 452 H HIS 85 H HIS 85 5.129 14.007 9.271 453 HA HIS 85 HA HIS 85 2.792 12.560 10.301 454 1HB HIS 85 1HB HIS 85 2.391 14.435 11.787 455 2HB HIS 85 2HB HIS 85 4.025 13.836 12.009 456 HD1 HIS 85 HD1 HIS 85 2.766 16.796 12.591 457 HD2 HIS 85 HD2 HIS 85 5.420 15.678 9.588 458 HE1 HIS 85 HE1 HIS 85 3.930 18.912 11.891 459 HE2 HIS 85 HE2 HIS 85 5.436 18.234 9.983 460 H LEU 86 H LEU 86 0.779 13.105 9.631 461 HA LEU 86 HA LEU 86 0.594 15.215 7.589 462 1HB LEU 86 1HB LEU 86 0.737 12.835 6.664 463 2HB LEU 86 2HB LEU 86 -0.848 12.587 7.373 464 HG LEU 86 HG LEU 86 -1.749 14.409 5.984 465 1HD1 LEU 86 1HD1 LEU 86 -0.391 15.314 4.164 466 2HD1 LEU 86 2HD1 LEU 86 1.010 14.431 4.772 467 3HD1 LEU 86 3HD1 LEU 86 0.287 15.717 5.740 468 1HD2 LEU 86 1HD2 LEU 86 -1.649 13.226 3.848 469 2HD2 LEU 86 2HD2 LEU 86 -1.882 12.111 5.193 470 3HD2 LEU 86 3HD2 LEU 86 -0.295 12.266 4.442 471 H LYS 87 H LYS 87 -1.354 16.311 7.511 472 HA LYS 87 HA LYS 87 -3.142 15.779 9.788 473 1HB LYS 87 1HB LYS 87 -1.784 17.925 9.837 474 2HB LYS 87 2HB LYS 87 -2.732 18.455 8.456 475 1HG LYS 87 1HG LYS 87 -4.784 18.206 9.810 476 2HG LYS 87 2HG LYS 87 -3.782 17.786 11.199 477 1HD LYS 87 1HD LYS 87 -4.242 20.077 11.450 478 2HD LYS 87 2HD LYS 87 -2.597 20.009 10.813 479 1HE LYS 87 1HE LYS 87 -3.784 21.722 9.638 480 2HE LYS 87 2HE LYS 87 -3.542 20.366 8.536 481 1HZ LYS 87 1HZ LYS 87 -5.809 19.662 8.945 482 2HZ LYS 87 2HZ LYS 87 -5.793 21.266 8.400 483 3HZ LYS 87 3HZ LYS 87 -6.040 20.929 10.047 484 H THR 88 H THR 88 -5.157 15.280 9.319 485 HA THR 88 HA THR 88 -6.033 15.101 6.596 486 HB THR 88 HB THR 88 -8.131 14.246 7.571 487 HG1 THR 88 HG1 THR 88 -7.923 13.939 9.996 488 1HG2 THR 88 1HG2 THR 88 -5.633 13.106 8.830 489 2HG2 THR 88 2HG2 THR 88 -6.245 12.725 7.219 490 3HG2 THR 88 3HG2 THR 88 -7.173 12.263 8.647 491 H GLY 89 H GLY 89 -7.680 16.220 5.563 492 1HA GLY 89 1HA GLY 89 -8.399 18.802 6.751 493 2HA GLY 89 2HA GLY 89 -8.539 18.375 5.048 494 H ARG 90 H ARG 90 -10.734 19.390 5.580 495 HA ARG 90 HA ARG 90 -12.503 17.669 7.048 496 1HB ARG 90 1HB ARG 90 -14.192 19.302 6.811 497 2HB ARG 90 2HB ARG 90 -12.701 20.184 7.067 498 1HG ARG 90 1HG ARG 90 -13.994 19.778 4.377 499 2HG ARG 90 2HG ARG 90 -14.231 21.194 5.398 500 1HD ARG 90 1HD ARG 90 -11.573 20.264 4.321 501 2HD ARG 90 2HD ARG 90 -12.557 21.530 3.602 502 HE ARG 90 HE ARG 90 -12.105 22.172 6.297 503 1HH1 ARG 90 1HH1 ARG 90 -10.334 21.909 3.276 504 2HH1 ARG 90 2HH1 ARG 90 -9.181 23.133 3.696 505 1HH2 ARG 90 1HH2 ARG 90 -10.612 23.797 6.837 506 2HH2 ARG 90 2HH2 ARG 90 -9.347 24.224 5.716 507 H ASN 91 H ASN 91 -12.531 18.796 3.648 508 HA ASN 91 HA ASN 91 -12.965 16.299 2.488 509 1HB ASN 91 1HB ASN 91 -15.365 17.494 3.622 510 2HB ASN 91 2HB ASN 91 -15.516 17.273 1.883 511 1HD2 ASN 91 1HD2 ASN 91 -16.921 15.941 4.023 512 2HD2 ASN 91 2HD2 ASN 91 -16.593 14.250 3.860 513 HA PRO 92 HA PRO 92 -12.640 19.160 -0.963 514 1HB PRO 92 1HB PRO 92 -12.007 17.156 -2.781 515 2HB PRO 92 2HB PRO 92 -10.842 18.040 -1.793 516 1HG PRO 92 1HG PRO 92 -11.542 15.275 -1.622 517 2HG PRO 92 2HG PRO 92 -10.416 16.175 -0.598 518 1HD PRO 92 1HD PRO 92 -13.222 15.400 -0.081 519 2HD PRO 92 2HD PRO 92 -11.921 15.779 1.070 520 H ASN 93 H ASN 93 -13.645 16.051 -2.266 521 HA ASN 93 HA ASN 93 -16.411 16.923 -2.540 522 1HB ASN 93 1HB ASN 93 -15.195 17.477 -4.676 523 2HB ASN 93 2HB ASN 93 -14.840 15.762 -4.856 524 1HD2 ASN 93 1HD2 ASN 93 -15.982 15.645 -6.792 525 2HD2 ASN 93 2HD2 ASN 93 -17.707 15.680 -6.845 526 H ASN 94 H ASN 94 -16.314 15.387 -0.706 527 HA ASN 94 HA ASN 94 -16.662 12.626 -1.562 528 1HB ASN 94 1HB ASN 94 -14.172 13.156 -1.007 529 2HB ASN 94 2HB ASN 94 -14.715 13.223 0.662 530 1HD2 ASN 94 1HD2 ASN 94 -12.850 11.417 -0.713 531 2HD2 ASN 94 2HD2 ASN 94 -13.452 9.818 -0.429 532 H SER 95 H SER 95 -17.406 11.283 0.355 533 HA SER 95 HA SER 95 -18.906 12.962 2.262 534 1HB SER 95 1HB SER 95 -19.632 10.246 1.130 535 2HB SER 95 2HB SER 95 -20.585 11.147 2.312 536 HG SER 95 HG SER 95 -20.261 12.860 0.452 537 H SER 96 H SER 96 -16.178 11.799 2.371 538 HA SER 96 HA SER 96 -16.438 9.937 4.619 539 1HB SER 96 1HB SER 96 -13.975 10.758 3.060 540 2HB SER 96 2HB SER 96 -14.063 9.483 4.274 541 HG SER 96 HG SER 96 -15.396 9.551 1.762 542 H ARG 97 H ARG 97 -14.240 10.401 6.091 543 HA ARG 97 HA ARG 97 -14.104 13.253 6.672 544 1HB ARG 97 1HB ARG 97 -14.221 12.785 9.114 545 2HB ARG 97 2HB ARG 97 -15.734 12.501 8.280 546 1HG ARG 97 1HG ARG 97 -13.812 10.287 8.951 547 2HG ARG 97 2HG ARG 97 -15.083 10.824 10.051 548 1HD ARG 97 1HD ARG 97 -16.720 10.411 8.181 549 2HD ARG 97 2HD ARG 97 -15.402 9.638 7.302 550 HE ARG 97 HE ARG 97 -15.898 8.591 9.959 551 1HH1 ARG 97 1HH1 ARG 97 -16.581 8.304 6.541 552 2HH1 ARG 97 2HH1 ARG 97 -17.127 6.659 6.646 553 1HH2 ARG 97 1HH2 ARG 97 -16.663 6.458 10.131 554 2HH2 ARG 97 2HH2 ARG 97 -17.223 5.622 8.710 555 H ALA 98 H ALA 98 -12.145 13.896 7.587 556 HA ALA 98 HA ALA 98 -9.878 13.891 7.739 557 1HB ALA 98 1HB ALA 98 -10.293 11.051 8.667 558 2HB ALA 98 2HB ALA 98 -10.300 12.485 9.690 559 3HB ALA 98 3HB ALA 98 -8.819 11.998 8.867 560 H TYR 99 H TYR 99 -10.007 14.026 5.338 561 HA TYR 99 HA TYR 99 -9.861 11.518 3.921 562 1HB TYR 99 1HB TYR 99 -10.378 12.749 1.980 563 2HB TYR 99 2HB TYR 99 -11.376 13.414 3.250 564 HD1 TYR 99 HD1 TYR 99 -8.639 14.052 0.924 565 HD2 TYR 99 HD2 TYR 99 -10.949 15.670 4.103 566 HE1 TYR 99 HE1 TYR 99 -7.816 16.299 0.372 567 HE2 TYR 99 HE2 TYR 99 -10.130 17.918 3.558 568 HH TYR 99 HH TYR 99 -8.502 18.635 0.670 569 H MET 100 H MET 100 -8.287 10.912 2.504 570 HA MET 100 HA MET 100 -5.661 12.149 2.859 571 1HB MET 100 1HB MET 100 -6.474 9.512 1.611 572 2HB MET 100 2HB MET 100 -4.817 10.078 1.770 573 1HG MET 100 1HG MET 100 -6.670 9.596 4.090 574 2HG MET 100 2HG MET 100 -5.514 8.415 3.480 575 1HE MET 100 1HE MET 100 -2.087 10.081 4.241 576 2HE MET 100 2HE MET 100 -2.994 10.152 2.730 577 3HE MET 100 3HE MET 100 -2.919 8.644 3.643 578 H GLY 101 H GLY 101 -4.786 13.355 1.281 579 1HA GLY 101 1HA GLY 101 -6.355 13.784 -1.127 580 2HA GLY 101 2HA GLY 101 -4.982 14.742 -0.592 581 H ILE 102 H ILE 102 -5.024 11.252 -0.951 582 HA ILE 102 HA ILE 102 -3.443 11.445 -3.399 583 HB ILE 102 HB ILE 102 -1.827 9.737 -2.515 584 1HG1 ILE 102 1HG1 ILE 102 -1.570 9.851 0.064 585 2HG1 ILE 102 2HG1 ILE 102 -3.232 10.411 0.072 586 1HG2 ILE 102 1HG2 ILE 102 -1.166 12.033 -2.742 587 2HG2 ILE 102 2HG2 ILE 102 -0.464 11.364 -1.269 588 3HG2 ILE 102 3HG2 ILE 102 -1.866 12.429 -1.174 589 1HD1 ILE 102 1HD1 ILE 102 -3.100 8.042 0.538 590 2HD1 ILE 102 2HD1 ILE 102 -2.268 7.774 -0.992 591 3HD1 ILE 102 3HD1 ILE 102 -3.940 8.335 -0.985 592 H ARG 103 H ARG 103 -3.254 9.392 -4.510 593 HA ARG 103 HA ARG 103 -5.507 7.609 -4.009 594 1HB ARG 103 1HB ARG 103 -3.525 7.848 -6.275 595 2HB ARG 103 2HB ARG 103 -4.664 6.519 -6.153 596 1HG ARG 103 1HG ARG 103 -5.561 9.382 -6.191 597 2HG ARG 103 2HG ARG 103 -5.295 8.453 -7.666 598 1HD ARG 103 1HD ARG 103 -7.605 8.280 -7.169 599 2HD ARG 103 2HD ARG 103 -6.878 6.735 -6.745 600 HE ARG 103 HE ARG 103 -7.320 8.739 -4.647 601 1HH1 ARG 103 1HH1 ARG 103 -7.945 5.566 -5.994 602 2HH1 ARG 103 2HH1 ARG 103 -8.974 5.070 -4.683 603 1HH2 ARG 103 1HH2 ARG 103 -8.636 8.085 -2.904 604 2HH2 ARG 103 2HH2 ARG 103 -9.372 6.509 -2.932 605 H THR 104 H THR 104 -5.229 5.461 -3.410 606 HA THR 104 HA THR 104 -2.491 4.759 -2.597 607 HB THR 104 HB THR 104 -4.896 3.349 -1.520 608 HG1 THR 104 HG1 THR 104 -3.966 5.496 -0.028 609 1HG2 THR 104 1HG2 THR 104 -2.221 4.067 -0.328 610 2HG2 THR 104 2HG2 THR 104 -2.681 2.490 -0.969 611 3HG2 THR 104 3HG2 THR 104 -3.480 3.126 0.468 612 H SER 105 H SER 105 -1.742 2.685 -2.985 613 HA SER 105 HA SER 105 -3.401 0.909 -4.608 614 1HB SER 105 1HB SER 105 -1.258 0.388 -5.936 615 2HB SER 105 2HB SER 105 -2.092 1.898 -6.300 616 HG SER 105 HG SER 105 -0.205 2.739 -5.947 617 H ASN 106 H ASN 106 -2.201 -1.311 -4.736 618 HA ASN 106 HA ASN 106 -1.407 -1.887 -1.979 619 1HB ASN 106 1HB ASN 106 -3.660 -2.720 -2.969 620 2HB ASN 106 2HB ASN 106 -2.667 -3.897 -3.822 621 1HD2 ASN 106 1HD2 ASN 106 -2.105 -2.641 -0.584 622 2HD2 ASN 106 2HD2 ASN 106 -2.353 -4.136 0.227 623 H HIS 107 H HIS 107 -0.020 -1.532 -4.827 624 HA HIS 107 HA HIS 107 1.983 -2.154 -5.709 625 1HB HIS 107 1HB HIS 107 2.558 -1.966 -3.220 626 2HB HIS 107 2HB HIS 107 2.455 -3.718 -3.170 627 HD1 HIS 107 HD1 HIS 107 4.310 -1.117 -5.245 628 HD2 HIS 107 HD2 HIS 107 4.859 -4.862 -3.534 629 HE1 HIS 107 HE1 HIS 107 6.718 -1.704 -5.664 630 HE2 HIS 107 HE2 HIS 107 7.078 -3.869 -4.423 631 H LEU 108 H LEU 108 -0.327 -3.679 -6.248 632 HA LEU 108 HA LEU 108 0.574 -6.454 -6.399 633 1HB LEU 108 1HB LEU 108 -2.093 -5.166 -6.984 634 2HB LEU 108 2HB LEU 108 -1.758 -6.864 -7.249 635 HG LEU 108 HG LEU 108 -1.655 -5.472 -4.593 636 1HD1 LEU 108 1HD1 LEU 108 -3.931 -5.652 -5.433 637 2HD1 LEU 108 2HD1 LEU 108 -3.676 -6.752 -4.079 638 3HD1 LEU 108 3HD1 LEU 108 -3.695 -7.374 -5.729 639 1HD2 LEU 108 1HD2 LEU 108 -1.444 -7.730 -3.666 640 2HD2 LEU 108 2HD2 LEU 108 -0.086 -7.329 -4.719 641 3HD2 LEU 108 3HD2 LEU 108 -1.372 -8.387 -5.301 642 H ARG 109 H ARG 109 -0.858 -7.230 -8.651 643 HA ARG 109 HA ARG 109 0.626 -5.863 -10.795 644 1HB ARG 109 1HB ARG 109 -0.202 -8.763 -10.565 645 2HB ARG 109 2HB ARG 109 0.469 -8.046 -12.023 646 1HG ARG 109 1HG ARG 109 1.832 -8.347 -9.358 647 2HG ARG 109 2HG ARG 109 2.209 -9.192 -10.861 648 1HD ARG 109 1HD ARG 109 2.853 -7.097 -11.904 649 2HD ARG 109 2HD ARG 109 2.420 -6.213 -10.442 650 HE ARG 109 HE ARG 109 4.695 -8.063 -10.738 651 1HH1 ARG 109 1HH1 ARG 109 3.015 -5.551 -8.978 652 2HH1 ARG 109 2HH1 ARG 109 4.372 -5.166 -7.972 653 1HH2 ARG 109 1HH2 ARG 109 6.496 -7.548 -9.455 654 2HH2 ARG 109 2HH2 ARG 109 6.370 -6.320 -8.230 655 H VAL 110 H VAL 110 -0.421 -5.211 -12.581 656 HA VAL 110 HA VAL 110 -3.332 -5.696 -12.704 657 HB VAL 110 HB VAL 110 -1.910 -3.160 -13.547 658 1HG1 VAL 110 1HG1 VAL 110 -3.923 -3.637 -14.844 659 2HG1 VAL 110 2HG1 VAL 110 -4.151 -2.233 -13.800 660 3HG1 VAL 110 3HG1 VAL 110 -4.851 -3.787 -13.349 661 1HG2 VAL 110 1HG2 VAL 110 -3.613 -3.684 -11.113 662 2HG2 VAL 110 2HG2 VAL 110 -3.010 -2.108 -11.619 663 3HG2 VAL 110 3HG2 VAL 110 -1.877 -3.365 -11.126 664 H ARG 111 H ARG 111 -4.135 -6.304 -14.659 665 HA ARG 111 HA ARG 111 -2.196 -6.940 -16.729 666 1HB ARG 111 1HB ARG 111 -5.098 -7.659 -16.344 667 2HB ARG 111 2HB ARG 111 -4.216 -8.052 -17.813 668 1HG ARG 111 1HG ARG 111 -2.619 -9.364 -16.480 669 2HG ARG 111 2HG ARG 111 -3.559 -8.991 -15.032 670 1HD ARG 111 1HD ARG 111 -5.461 -10.157 -15.888 671 2HD ARG 111 2HD ARG 111 -4.686 -10.382 -17.454 672 HE ARG 111 HE ARG 111 -2.984 -11.610 -15.739 673 1HH1 ARG 111 1HH1 ARG 111 -6.441 -11.818 -16.216 674 2HH1 ARG 111 2HH1 ARG 111 -6.530 -13.516 -15.850 675 1HH2 ARG 111 1HH2 ARG 111 -3.086 -13.870 -15.254 676 2HH2 ARG 111 2HH2 ARG 111 -4.630 -14.676 -15.312 677 H ASP 112 H ASP 112 -2.027 -5.970 -18.638 678 HA ASP 112 HA ASP 112 -3.911 -3.793 -19.232 679 1HB ASP 112 1HB ASP 112 -2.098 -2.706 -20.468 680 2HB ASP 112 2HB ASP 112 -1.618 -3.013 -18.804 681 H SER 113 H SER 113 -3.820 -6.731 -19.926 682 HA SER 113 HA SER 113 -3.859 -6.520 -22.848 683 1HB SER 113 1HB SER 113 -2.504 -8.351 -21.812 684 2HB SER 113 2HB SER 113 -3.994 -9.023 -21.149 685 HG SER 113 HG SER 113 -3.758 -8.499 -23.912 686 H VAL 114 H VAL 114 -5.717 -6.534 -23.925 687 HA VAL 114 HA VAL 114 -8.151 -7.355 -22.504 688 HB VAL 114 HB VAL 114 -9.339 -5.630 -23.911 689 1HG1 VAL 114 1HG1 VAL 114 -8.912 -5.265 -21.541 690 2HG1 VAL 114 2HG1 VAL 114 -8.771 -3.758 -22.443 691 3HG1 VAL 114 3HG1 VAL 114 -7.319 -4.612 -21.919 692 1HG2 VAL 114 1HG2 VAL 114 -6.540 -4.613 -24.352 693 2HG2 VAL 114 2HG2 VAL 114 -8.027 -3.761 -24.776 694 3HG2 VAL 114 3HG2 VAL 114 -7.614 -5.273 -25.583 695 H ALA 115 H ALA 115 -9.514 -8.676 -23.588 696 HA ALA 115 HA ALA 115 -8.963 -9.170 -26.430 697 1HB ALA 115 1HB ALA 115 -9.378 -11.548 -26.098 698 2HB ALA 115 2HB ALA 115 -9.597 -11.280 -24.370 699 3HB ALA 115 3HB ALA 115 -8.022 -10.999 -25.114 700 H SER 116 H SER 116 -10.717 -7.648 -26.747 701 HA SER 116 HA SER 116 -13.365 -8.664 -26.047 702 1HB SER 116 1HB SER 116 -12.527 -6.022 -27.267 703 2HB SER 116 2HB SER 116 -14.179 -6.463 -26.825 704 HG SER 116 HG SER 116 -12.737 -6.939 -24.699 705 H VAL 117 H VAL 117 -13.831 -10.274 -27.415 706 HA VAL 117 HA VAL 117 -13.243 -10.020 -30.248 707 HB VAL 117 HB VAL 117 -14.095 -12.322 -30.441 708 1HG1 VAL 117 1HG1 VAL 117 -12.322 -13.418 -29.148 709 2HG1 VAL 117 2HG1 VAL 117 -12.085 -11.931 -28.227 710 3HG1 VAL 117 3HG1 VAL 117 -11.745 -11.960 -29.956 711 1HG2 VAL 117 1HG2 VAL 117 -14.537 -12.137 -27.462 712 2HG2 VAL 117 2HG2 VAL 117 -14.680 -13.599 -28.441 713 3HG2 VAL 117 3HG2 VAL 117 -15.792 -12.254 -28.697 714 H LEU 118 H LEU 118 -14.996 -10.713 -31.803 715 HA LEU 118 HA LEU 118 -17.308 -9.052 -31.358 716 1HB LEU 118 1HB LEU 118 -16.490 -10.818 -33.666 717 2HB LEU 118 2HB LEU 118 -17.966 -9.874 -33.648 718 HG LEU 118 HG LEU 118 -16.392 -8.672 -34.947 719 1HD1 LEU 118 1HD1 LEU 118 -17.723 -7.285 -33.464 720 2HD1 LEU 118 2HD1 LEU 118 -16.123 -6.585 -33.709 721 3HD1 LEU 118 3HD1 LEU 118 -16.495 -7.430 -32.207 722 1HD2 LEU 118 1HD2 LEU 118 -14.350 -9.762 -34.219 723 2HD2 LEU 118 2HD2 LEU 118 -14.450 -8.939 -32.662 724 3HD2 LEU 118 3HD2 LEU 118 -14.187 -8.006 -34.135 725 H GLY 119 H GLY 119 -16.720 -12.500 -31.974 726 1HA GLY 119 1HA GLY 119 -17.935 -14.372 -31.462 727 2HA GLY 119 2HA GLY 119 -18.614 -13.437 -30.135 728 H ASP 120 H ASP 120 -18.915 -12.611 -33.525 729 HA ASP 120 HA ASP 120 -21.795 -12.586 -33.207 730 1HB ASP 120 1HB ASP 120 -21.836 -11.407 -35.342 731 2HB ASP 120 2HB ASP 120 -20.688 -10.651 -34.243 732 H THR 121 H THR 121 -23.230 -13.734 -34.403 733 HA THR 121 HA THR 121 -22.390 -15.373 -36.595 734 HB THR 121 HB THR 121 -21.853 -16.931 -34.851 735 HG1 THR 121 HG1 THR 121 -23.167 -17.606 -36.771 736 1HG2 THR 121 1HG2 THR 121 -24.656 -16.552 -33.801 737 2HG2 THR 121 2HG2 THR 121 -23.173 -16.001 -33.020 738 3HG2 THR 121 3HG2 THR 121 -23.483 -17.727 -33.208 739 H LEU 122 H LEU 122 -23.794 -14.548 -37.964 740 HA LEU 122 HA LEU 122 -26.450 -13.793 -37.028 741 1HB LEU 122 1HB LEU 122 -25.021 -13.194 -39.616 742 2HB LEU 122 2HB LEU 122 -26.605 -12.583 -39.177 743 HG LEU 122 HG LEU 122 -24.034 -11.965 -37.717 744 1HD1 LEU 122 1HD1 LEU 122 -24.338 -9.713 -38.638 745 2HD1 LEU 122 2HD1 LEU 122 -25.715 -10.292 -39.576 746 3HD1 LEU 122 3HD1 LEU 122 -24.099 -10.919 -39.901 747 1HD2 LEU 122 1HD2 LEU 122 -26.009 -11.973 -36.258 748 2HD2 LEU 122 2HD2 LEU 122 -26.815 -10.849 -37.353 749 3HD2 LEU 122 3HD2 LEU 122 -25.366 -10.348 -36.483 750 HA PRO 123 HA PRO 123 -28.111 -17.386 -39.151 751 1HB PRO 123 1HB PRO 123 -30.636 -16.698 -37.921 752 2HB PRO 123 2HB PRO 123 -29.582 -18.068 -37.571 753 1HG PRO 123 1HG PRO 123 -30.021 -16.000 -35.830 754 2HG PRO 123 2HG PRO 123 -28.550 -16.993 -35.839 755 1HD PRO 123 1HD PRO 123 -29.007 -14.266 -36.992 756 2HD PRO 123 2HD PRO 123 -27.590 -14.903 -36.128 757 H PHE 124 H PHE 124 -28.541 -17.082 -41.248 758 HA PHE 124 HA PHE 124 -29.970 -14.770 -42.187 759 1HB PHE 124 1HB PHE 124 -29.082 -17.214 -43.736 760 2HB PHE 124 2HB PHE 124 -29.578 -15.669 -44.416 761 HD1 PHE 124 HD1 PHE 124 -26.860 -17.614 -43.170 762 HD2 PHE 124 HD2 PHE 124 -28.158 -13.624 -43.883 763 HE1 PHE 124 HE1 PHE 124 -24.523 -16.844 -43.096 764 HE2 PHE 124 HE2 PHE 124 -25.825 -12.849 -43.811 765 HZ PHE 124 HZ PHE 124 -24.004 -14.459 -43.418 766 H ALA 125 H ALA 125 -32.050 -14.842 -41.469 767 HA ALA 125 HA ALA 125 -33.609 -17.272 -41.840 768 1HB ALA 125 1HB ALA 125 -33.821 -16.091 -39.725 769 2HB ALA 125 2HB ALA 125 -35.355 -16.094 -40.595 770 3HB ALA 125 3HB ALA 125 -34.355 -14.641 -40.573 Start of MODEL 13 1 H GLN 23 H GLN 23 -2.499 -12.617 -0.472 2 HA GLN 23 HA GLN 23 -0.946 -12.756 2.024 3 1HB GLN 23 1HB GLN 23 0.114 -13.896 0.131 4 2HB GLN 23 2HB GLN 23 0.002 -12.432 -0.833 5 1HG GLN 23 1HG GLN 23 2.250 -12.721 -0.032 6 2HG GLN 23 2HG GLN 23 1.524 -11.305 0.726 7 1HE2 GLN 23 1HE2 GLN 23 1.207 -11.279 2.918 8 2HE2 GLN 23 2HE2 GLN 23 1.804 -12.517 3.981 9 HA PRO 24 HA PRO 24 -1.574 -8.257 1.870 10 1HB PRO 24 1HB PRO 24 -1.032 -7.854 4.485 11 2HB PRO 24 2HB PRO 24 -2.609 -8.428 3.931 12 1HG PRO 24 1HG PRO 24 -0.328 -9.978 5.095 13 2HG PRO 24 2HG PRO 24 -2.065 -10.126 5.421 14 1HD PRO 24 1HD PRO 24 -0.704 -11.799 3.747 15 2HD PRO 24 2HD PRO 24 -2.430 -11.423 3.565 16 H ASP 25 H ASP 25 -0.021 -6.504 2.159 17 HA ASP 25 HA ASP 25 2.733 -7.279 2.698 18 1HB ASP 25 1HB ASP 25 2.436 -7.821 0.313 19 2HB ASP 25 2HB ASP 25 1.928 -6.164 0.009 20 H GLY 26 H GLY 26 0.670 -4.719 1.426 21 1HA GLY 26 1HA GLY 26 0.945 -2.780 3.263 22 2HA GLY 26 2HA GLY 26 2.456 -2.657 2.367 23 H VAL 27 H VAL 27 0.737 -0.531 2.383 24 HA VAL 27 HA VAL 27 -0.508 -0.677 -0.274 25 HB VAL 27 HB VAL 27 -1.766 1.370 0.349 26 1HG1 VAL 27 1HG1 VAL 27 -2.803 -0.807 0.579 27 2HG1 VAL 27 2HG1 VAL 27 -3.326 0.254 1.887 28 3HG1 VAL 27 3HG1 VAL 27 -2.114 -0.990 2.190 29 1HG2 VAL 27 1HG2 VAL 27 -0.238 2.242 2.054 30 2HG2 VAL 27 2HG2 VAL 27 -0.639 0.883 3.104 31 3HG2 VAL 27 3HG2 VAL 27 -1.876 2.066 2.683 32 H GLN 28 H GLN 28 0.348 0.387 -1.898 33 HA GLN 28 HA GLN 28 2.523 2.276 -1.347 34 1HB GLN 28 1HB GLN 28 3.273 0.627 -2.845 35 2HB GLN 28 2HB GLN 28 1.770 0.642 -3.759 36 1HG GLN 28 1HG GLN 28 2.313 2.702 -4.790 37 2HG GLN 28 2HG GLN 28 3.647 2.987 -3.673 38 1HE2 GLN 28 1HE2 GLN 28 5.577 2.016 -4.008 39 2HE2 GLN 28 2HE2 GLN 28 5.970 1.157 -5.448 40 H ILE 29 H ILE 29 2.514 4.368 -2.164 41 HA ILE 29 HA ILE 29 -0.166 5.367 -2.656 42 HB ILE 29 HB ILE 29 0.963 7.639 -2.577 43 1HG1 ILE 29 1HG1 ILE 29 3.225 5.957 -1.478 44 2HG1 ILE 29 2HG1 ILE 29 3.269 6.918 -2.956 45 1HG2 ILE 29 1HG2 ILE 29 -0.385 6.775 -0.795 46 2HG2 ILE 29 2HG2 ILE 29 1.025 7.593 -0.118 47 3HG2 ILE 29 3HG2 ILE 29 0.968 5.830 -0.176 48 1HD1 ILE 29 1HD1 ILE 29 4.416 8.010 -1.093 49 2HD1 ILE 29 2HD1 ILE 29 2.912 8.010 -0.172 50 3HD1 ILE 29 3HD1 ILE 29 3.036 8.950 -1.659 51 H ASP 30 H ASP 30 -0.941 5.647 -4.518 52 HA ASP 30 HA ASP 30 0.384 5.393 -6.978 53 1HB ASP 30 1HB ASP 30 -2.041 5.058 -6.642 54 2HB ASP 30 2HB ASP 30 -2.232 6.762 -6.303 55 H SER 31 H SER 31 -0.973 8.258 -5.371 56 HA SER 31 HA SER 31 1.099 9.954 -6.419 57 1HB SER 31 1HB SER 31 -0.615 11.415 -7.662 58 2HB SER 31 2HB SER 31 -0.095 9.925 -8.452 59 HG SER 31 HG SER 31 -2.002 9.014 -8.072 60 H VAL 32 H VAL 32 0.880 12.166 -5.727 61 HA VAL 32 HA VAL 32 -0.828 12.431 -3.348 62 HB VAL 32 HB VAL 32 1.802 13.783 -3.990 63 1HG1 VAL 32 1HG1 VAL 32 1.627 14.798 -1.750 64 2HG1 VAL 32 2HG1 VAL 32 0.014 14.107 -1.573 65 3HG1 VAL 32 3HG1 VAL 32 0.318 15.328 -2.809 66 1HG2 VAL 32 1HG2 VAL 32 2.626 12.564 -2.019 67 2HG2 VAL 32 2HG2 VAL 32 2.054 11.470 -3.279 68 3HG2 VAL 32 3HG2 VAL 32 1.053 11.784 -1.860 69 H VAL 33 H VAL 33 -2.461 13.807 -3.540 70 HA VAL 33 HA VAL 33 -2.671 15.434 -5.925 71 HB VAL 33 HB VAL 33 -4.656 15.079 -3.668 72 1HG1 VAL 33 1HG1 VAL 33 -5.044 16.169 -6.443 73 2HG1 VAL 33 2HG1 VAL 33 -5.002 17.116 -4.957 74 3HG1 VAL 33 3HG1 VAL 33 -6.298 15.949 -5.221 75 1HG2 VAL 33 1HG2 VAL 33 -4.507 13.690 -6.338 76 2HG2 VAL 33 2HG2 VAL 33 -5.799 13.516 -5.149 77 3HG2 VAL 33 3HG2 VAL 33 -4.170 12.962 -4.767 78 HA PRO 34 HA PRO 34 -1.178 19.061 -3.784 79 1HB PRO 34 1HB PRO 34 -1.861 20.483 -6.250 80 2HB PRO 34 2HB PRO 34 -0.276 20.202 -5.527 81 1HG PRO 34 1HG PRO 34 -1.048 18.991 -7.809 82 2HG PRO 34 2HG PRO 34 0.026 18.205 -6.634 83 1HD PRO 34 1HD PRO 34 -2.925 17.835 -7.052 84 2HD PRO 34 2HD PRO 34 -1.663 16.612 -6.776 85 H GLY 35 H GLY 35 -4.031 18.211 -3.604 86 1HA GLY 35 1HA GLY 35 -5.250 20.898 -3.385 87 2HA GLY 35 2HA GLY 35 -6.172 19.472 -3.844 88 H SER 36 H SER 36 -3.706 19.073 -1.529 89 HA SER 36 HA SER 36 -5.448 19.430 0.763 90 1HB SER 36 1HB SER 36 -4.195 16.773 0.086 91 2HB SER 36 2HB SER 36 -5.048 17.141 1.581 92 HG SER 36 HG SER 36 -6.639 17.819 -0.420 93 HA PRO 37 HA PRO 37 -1.801 20.778 2.788 94 1HB PRO 37 1HB PRO 37 -2.255 18.904 5.041 95 2HB PRO 37 2HB PRO 37 -2.143 20.667 5.043 96 1HG PRO 37 1HG PRO 37 -4.491 19.442 5.353 97 2HG PRO 37 2HG PRO 37 -4.355 20.942 4.416 98 1HD PRO 37 1HD PRO 37 -4.610 18.118 3.458 99 2HD PRO 37 2HD PRO 37 -5.359 19.596 2.820 100 H ALA 38 H ALA 38 -2.081 17.433 2.100 101 HA ALA 38 HA ALA 38 0.470 16.632 3.148 102 1HB ALA 38 1HB ALA 38 -1.415 15.065 2.984 103 2HB ALA 38 2HB ALA 38 0.003 14.490 2.106 104 3HB ALA 38 3HB ALA 38 -1.353 15.194 1.227 105 H SER 39 H SER 39 -0.399 18.431 0.497 106 HA SER 39 HA SER 39 1.053 17.322 -1.624 107 1HB SER 39 1HB SER 39 -0.661 19.087 -1.875 108 2HB SER 39 2HB SER 39 0.444 20.246 -1.137 109 HG SER 39 HG SER 39 1.581 18.880 -3.211 110 H LYS 40 H LYS 40 2.149 19.231 1.090 111 HA LYS 40 HA LYS 40 4.780 19.549 -0.195 112 1HB LYS 40 1HB LYS 40 3.480 21.560 0.739 113 2HB LYS 40 2HB LYS 40 3.870 20.919 2.329 114 1HG LYS 40 1HG LYS 40 6.322 20.937 1.383 115 2HG LYS 40 2HG LYS 40 5.653 22.145 0.285 116 1HD LYS 40 1HD LYS 40 6.611 23.249 2.207 117 2HD LYS 40 2HD LYS 40 4.853 23.425 2.252 118 1HE LYS 40 1HE LYS 40 4.678 21.653 3.880 119 2HE LYS 40 2HE LYS 40 6.403 21.321 3.755 120 1HZ LYS 40 1HZ LYS 40 6.867 23.487 4.678 121 2HZ LYS 40 2HZ LYS 40 5.863 22.616 5.726 122 3HZ LYS 40 3HZ LYS 40 5.212 23.852 4.760 123 H VAL 41 H VAL 41 3.486 17.198 1.382 124 HA VAL 41 HA VAL 41 5.584 16.983 3.437 125 HB VAL 41 HB VAL 41 2.872 15.654 3.482 126 1HG1 VAL 41 1HG1 VAL 41 5.056 15.765 5.562 127 2HG1 VAL 41 2HG1 VAL 41 4.579 14.348 4.624 128 3HG1 VAL 41 3HG1 VAL 41 3.457 15.056 5.788 129 1HG2 VAL 41 1HG2 VAL 41 2.668 18.061 3.804 130 2HG2 VAL 41 2HG2 VAL 41 3.894 18.007 5.073 131 3HG2 VAL 41 3HG2 VAL 41 2.343 17.201 5.309 132 H LEU 42 H LEU 42 3.501 14.904 1.398 133 HA LEU 42 HA LEU 42 5.464 12.769 1.701 134 1HB LEU 42 1HB LEU 42 2.671 12.788 0.565 135 2HB LEU 42 2HB LEU 42 3.725 11.389 0.496 136 HG LEU 42 HG LEU 42 3.835 11.591 3.065 137 1HD1 LEU 42 1HD1 LEU 42 1.329 13.179 2.548 138 2HD1 LEU 42 2HD1 LEU 42 2.833 13.822 3.209 139 3HD1 LEU 42 3HD1 LEU 42 1.911 12.621 4.117 140 1HD2 LEU 42 1HD2 LEU 42 1.288 10.779 1.674 141 2HD2 LEU 42 2HD2 LEU 42 1.766 10.294 3.301 142 3HD2 LEU 42 3HD2 LEU 42 2.719 9.777 1.910 143 H THR 43 H THR 43 5.666 11.338 -0.309 144 HA THR 43 HA THR 43 5.744 12.854 -2.801 145 HB THR 43 HB THR 43 8.091 11.261 -1.728 146 HG1 THR 43 HG1 THR 43 7.379 13.824 -1.389 147 1HG2 THR 43 1HG2 THR 43 9.276 12.069 -3.736 148 2HG2 THR 43 2HG2 THR 43 7.778 12.800 -4.313 149 3HG2 THR 43 3HG2 THR 43 7.899 11.048 -4.153 150 HA PRO 44 HA PRO 44 3.571 9.153 -3.867 151 1HB PRO 44 1HB PRO 44 3.519 9.498 -6.570 152 2HB PRO 44 2HB PRO 44 2.488 10.400 -5.450 153 1HG PRO 44 1HG PRO 44 5.067 11.235 -6.726 154 2HG PRO 44 2HG PRO 44 3.560 12.155 -6.546 155 1HD PRO 44 1HD PRO 44 5.649 12.530 -4.896 156 2HD PRO 44 2HD PRO 44 3.973 12.630 -4.317 157 H GLY 45 H GLY 45 3.895 7.097 -4.764 158 1HA GLY 45 1HA GLY 45 5.116 5.525 -6.090 159 2HA GLY 45 2HA GLY 45 6.517 6.584 -5.999 160 H LEU 46 H LEU 46 5.564 6.762 -2.984 161 HA LEU 46 HA LEU 46 7.468 4.762 -2.120 162 1HB LEU 46 1HB LEU 46 5.884 6.757 -0.507 163 2HB LEU 46 2HB LEU 46 7.204 5.772 0.093 164 HG LEU 46 HG LEU 46 7.414 7.952 -1.984 165 1HD1 LEU 46 1HD1 LEU 46 7.059 8.790 0.281 166 2HD1 LEU 46 2HD1 LEU 46 8.693 9.135 -0.284 167 3HD1 LEU 46 3HD1 LEU 46 8.415 7.819 0.857 168 1HD2 LEU 46 1HD2 LEU 46 9.833 7.581 -1.821 169 2HD2 LEU 46 2HD2 LEU 46 8.988 6.168 -2.452 170 3HD2 LEU 46 3HD2 LEU 46 9.542 6.190 -0.777 171 H VAL 47 H VAL 47 6.979 3.385 -0.223 172 HA VAL 47 HA VAL 47 4.239 2.325 -0.380 173 HB VAL 47 HB VAL 47 6.723 0.928 0.647 174 1HG1 VAL 47 1HG1 VAL 47 3.960 -0.138 0.073 175 2HG1 VAL 47 2HG1 VAL 47 4.667 0.103 1.669 176 3HG1 VAL 47 3HG1 VAL 47 5.351 -1.099 0.576 177 1HG2 VAL 47 1HG2 VAL 47 6.907 1.301 -1.739 178 2HG2 VAL 47 2HG2 VAL 47 5.294 0.634 -1.991 179 3HG2 VAL 47 3HG2 VAL 47 6.598 -0.406 -1.416 180 H ILE 48 H ILE 48 2.993 2.267 1.418 181 HA ILE 48 HA ILE 48 3.977 3.668 3.769 182 HB ILE 48 HB ILE 48 1.210 2.615 3.148 183 1HG1 ILE 48 1HG1 ILE 48 2.321 5.427 3.030 184 2HG1 ILE 48 2HG1 ILE 48 1.954 4.417 1.635 185 1HG2 ILE 48 1HG2 ILE 48 2.160 4.424 5.371 186 2HG2 ILE 48 2HG2 ILE 48 1.584 2.766 5.547 187 3HG2 ILE 48 3HG2 ILE 48 0.478 4.032 5.017 188 1HD1 ILE 48 1HD1 ILE 48 0.206 6.040 1.999 189 2HD1 ILE 48 2HD1 ILE 48 -0.026 5.460 3.650 190 3HD1 ILE 48 3HD1 ILE 48 -0.408 4.411 2.283 191 H GLU 49 H GLU 49 4.701 2.699 5.487 192 HA GLU 49 HA GLU 49 4.691 -0.162 5.726 193 1HB GLU 49 1HB GLU 49 6.561 1.504 6.328 194 2HB GLU 49 2HB GLU 49 5.644 1.807 7.788 195 1HG GLU 49 1HG GLU 49 6.442 -0.971 7.044 196 2HG GLU 49 2HG GLU 49 7.581 0.112 7.836 197 H SER 50 H SER 50 3.343 2.582 7.519 198 HA SER 50 HA SER 50 1.125 1.016 8.428 199 1HB SER 50 1HB SER 50 1.705 1.443 10.897 200 2HB SER 50 2HB SER 50 2.566 0.143 10.073 201 HG SER 50 HG SER 50 4.384 1.236 10.188 202 H ILE 51 H ILE 51 -0.484 2.245 9.480 203 HA ILE 51 HA ILE 51 -0.121 5.154 9.209 204 HB ILE 51 HB ILE 51 -2.683 3.543 9.290 205 1HG1 ILE 51 1HG1 ILE 51 -1.462 3.302 7.172 206 2HG1 ILE 51 2HG1 ILE 51 -2.946 4.219 6.950 207 1HG2 ILE 51 1HG2 ILE 51 -2.994 5.711 10.334 208 2HG2 ILE 51 2HG2 ILE 51 -3.813 5.659 8.772 209 3HG2 ILE 51 3HG2 ILE 51 -2.277 6.510 8.933 210 1HD1 ILE 51 1HD1 ILE 51 -1.109 5.167 5.680 211 2HD1 ILE 51 2HD1 ILE 51 -0.184 5.381 7.167 212 3HD1 ILE 51 3HD1 ILE 51 -1.674 6.289 6.917 213 H ASN 52 H ASN 52 0.594 5.861 11.096 214 HA ASN 52 HA ASN 52 0.666 6.481 13.263 215 1HB ASN 52 1HB ASN 52 -1.753 7.035 12.761 216 2HB ASN 52 2HB ASN 52 -2.169 5.514 13.534 217 1HD2 ASN 52 1HD2 ASN 52 -2.786 8.297 14.244 218 2HD2 ASN 52 2HD2 ASN 52 -2.246 8.487 15.873 219 H GLY 53 H GLY 53 -1.625 3.891 13.950 220 1HA GLY 53 1HA GLY 53 0.602 2.283 15.021 221 2HA GLY 53 2HA GLY 53 -0.836 2.579 15.994 222 H MET 54 H MET 54 -1.601 2.425 12.762 223 HA MET 54 HA MET 54 -2.398 -0.400 12.981 224 1HB MET 54 1HB MET 54 -3.844 1.708 11.368 225 2HB MET 54 2HB MET 54 -4.404 0.095 11.777 226 1HG MET 54 1HG MET 54 -5.640 1.535 13.135 227 2HG MET 54 2HG MET 54 -4.401 0.865 14.193 228 1HE MET 54 1HE MET 54 -5.029 2.842 15.915 229 2HE MET 54 2HE MET 54 -6.175 3.547 14.773 230 3HE MET 54 3HE MET 54 -4.929 4.554 15.510 231 HA PRO 55 HA PRO 55 0.439 -0.320 9.450 232 1HB PRO 55 1HB PRO 55 0.731 -3.009 9.280 233 2HB PRO 55 2HB PRO 55 1.639 -2.003 10.409 234 1HG PRO 55 1HG PRO 55 -0.791 -3.677 10.896 235 2HG PRO 55 2HG PRO 55 0.647 -3.473 11.911 236 1HD PRO 55 1HD PRO 55 -1.692 -2.189 12.402 237 2HD PRO 55 2HD PRO 55 -0.111 -1.483 12.798 238 H THR 56 H THR 56 -0.339 -0.015 7.504 239 HA THR 56 HA THR 56 -2.750 -1.392 6.654 240 HB THR 56 HB THR 56 -2.416 0.103 4.587 241 HG1 THR 56 HG1 THR 56 -0.275 0.722 4.949 242 1HG2 THR 56 1HG2 THR 56 -2.918 1.360 7.292 243 2HG2 THR 56 2HG2 THR 56 -4.113 0.524 6.301 244 3HG2 THR 56 3HG2 THR 56 -3.404 2.035 5.737 245 H SER 57 H SER 57 -1.972 -3.459 6.357 246 HA SER 57 HA SER 57 0.139 -3.884 4.392 247 1HB SER 57 1HB SER 57 0.001 -5.130 6.610 248 2HB SER 57 2HB SER 57 -1.403 -5.967 5.956 249 HG SER 57 HG SER 57 1.298 -6.208 5.301 250 H ASN 58 H ASN 58 -3.236 -3.676 4.577 251 HA ASN 58 HA ASN 58 -3.467 -4.692 1.848 252 1HB ASN 58 1HB ASN 58 -4.188 -6.467 3.459 253 2HB ASN 58 2HB ASN 58 -5.392 -5.349 4.081 254 1HD2 ASN 58 1HD2 ASN 58 -7.080 -6.574 3.590 255 2HD2 ASN 58 2HD2 ASN 58 -7.613 -6.896 1.970 256 H LEU 59 H LEU 59 -5.909 -4.108 1.169 257 HA LEU 59 HA LEU 59 -6.034 -1.260 1.323 258 1HB LEU 59 1HB LEU 59 -7.757 -3.344 -0.002 259 2HB LEU 59 2HB LEU 59 -8.059 -1.632 -0.123 260 HG LEU 59 HG LEU 59 -5.604 -3.063 -1.114 261 1HD1 LEU 59 1HD1 LEU 59 -7.565 -3.487 -2.484 262 2HD1 LEU 59 2HD1 LEU 59 -6.428 -2.436 -3.330 263 3HD1 LEU 59 3HD1 LEU 59 -7.881 -1.756 -2.594 264 1HD2 LEU 59 1HD2 LEU 59 -5.071 -0.821 -0.308 265 2HD2 LEU 59 2HD2 LEU 59 -6.357 -0.148 -1.309 266 3HD2 LEU 59 3HD2 LEU 59 -4.957 -0.911 -2.066 267 H THR 60 H THR 60 -7.799 -3.957 2.706 268 HA THR 60 HA THR 60 -10.011 -2.495 3.674 269 HB THR 60 HB THR 60 -8.872 -5.018 4.889 270 HG1 THR 60 HG1 THR 60 -10.100 -6.118 3.322 271 1HG2 THR 60 1HG2 THR 60 -11.202 -5.475 5.474 272 2HG2 THR 60 2HG2 THR 60 -11.703 -3.965 4.711 273 3HG2 THR 60 3HG2 THR 60 -10.688 -3.930 6.153 274 H THR 61 H THR 61 -6.812 -3.166 5.017 275 HA THR 61 HA THR 61 -7.302 -2.161 7.610 276 HB THR 61 HB THR 61 -4.624 -1.626 6.837 277 HG1 THR 61 HG1 THR 61 -5.473 -4.276 6.197 278 1HG2 THR 61 1HG2 THR 61 -5.360 -2.250 9.083 279 2HG2 THR 61 2HG2 THR 61 -4.125 -3.361 8.493 280 3HG2 THR 61 3HG2 THR 61 -5.821 -3.847 8.491 281 H TYR 62 H TYR 62 -6.351 -0.677 4.583 282 HA TYR 62 HA TYR 62 -5.769 1.911 5.514 283 1HB TYR 62 1HB TYR 62 -5.279 0.967 3.232 284 2HB TYR 62 2HB TYR 62 -6.986 1.140 2.851 285 HD1 TYR 62 HD1 TYR 62 -7.877 3.230 2.172 286 HD2 TYR 62 HD2 TYR 62 -3.897 2.999 3.646 287 HE1 TYR 62 HE1 TYR 62 -7.450 5.510 1.357 288 HE2 TYR 62 HE2 TYR 62 -3.457 5.279 2.843 289 HH TYR 62 HH TYR 62 -5.918 7.382 1.817 290 H SER 63 H SER 63 -8.762 0.328 4.588 291 HA SER 63 HA SER 63 -10.465 2.579 4.812 292 1HB SER 63 1HB SER 63 -11.071 0.495 3.593 293 2HB SER 63 2HB SER 63 -11.123 -0.365 5.130 294 HG SER 63 HG SER 63 -12.896 1.539 4.088 295 H ALA 64 H ALA 64 -9.556 -0.010 7.049 296 HA ALA 64 HA ALA 64 -11.333 0.725 9.115 297 1HB ALA 64 1HB ALA 64 -10.112 -0.840 10.493 298 2HB ALA 64 2HB ALA 64 -8.775 -0.850 9.342 299 3HB ALA 64 3HB ALA 64 -10.341 -1.518 8.880 300 H ALA 65 H ALA 65 -8.155 1.851 8.269 301 HA ALA 65 HA ALA 65 -7.692 3.151 10.797 302 1HB ALA 65 1HB ALA 65 -5.757 4.156 9.688 303 2HB ALA 65 2HB ALA 65 -6.316 3.531 8.137 304 3HB ALA 65 3HB ALA 65 -5.816 2.416 9.408 305 H LEU 66 H LEU 66 -8.766 4.097 7.576 306 HA LEU 66 HA LEU 66 -8.780 6.880 7.968 307 1HB LEU 66 1HB LEU 66 -9.067 5.283 5.849 308 2HB LEU 66 2HB LEU 66 -10.757 5.610 6.147 309 HG LEU 66 HG LEU 66 -8.716 7.794 5.756 310 1HD1 LEU 66 1HD1 LEU 66 -9.553 7.973 3.470 311 2HD1 LEU 66 2HD1 LEU 66 -10.561 6.549 3.725 312 3HD1 LEU 66 3HD1 LEU 66 -8.803 6.403 3.758 313 1HD2 LEU 66 1HD2 LEU 66 -10.757 8.482 6.908 314 2HD2 LEU 66 2HD2 LEU 66 -11.732 7.783 5.616 315 3HD2 LEU 66 3HD2 LEU 66 -10.692 9.166 5.284 316 H LYS 67 H LYS 67 -11.266 4.426 8.411 317 HA LYS 67 HA LYS 67 -13.480 6.122 8.665 318 1HB LYS 67 1HB LYS 67 -14.608 4.204 9.730 319 2HB LYS 67 2HB LYS 67 -13.747 3.750 8.268 320 1HG LYS 67 1HG LYS 67 -11.932 2.831 9.593 321 2HG LYS 67 2HG LYS 67 -12.739 3.339 11.075 322 1HD LYS 67 1HD LYS 67 -13.929 1.414 9.080 323 2HD LYS 67 2HD LYS 67 -13.029 0.920 10.515 324 1HE LYS 67 1HE LYS 67 -14.664 2.152 11.907 325 2HE LYS 67 2HE LYS 67 -15.586 2.515 10.450 326 1HZ LYS 67 1HZ LYS 67 -15.955 0.171 10.108 327 2HZ LYS 67 2HZ LYS 67 -16.461 0.601 11.668 328 3HZ LYS 67 3HZ LYS 67 -14.992 -0.216 11.452 329 H THR 68 H THR 68 -10.910 5.771 10.852 330 HA THR 68 HA THR 68 -12.601 6.602 13.104 331 HB THR 68 HB THR 68 -10.571 6.042 14.504 332 HG1 THR 68 HG1 THR 68 -9.406 5.769 12.182 333 1HG2 THR 68 1HG2 THR 68 -11.915 3.829 12.949 334 2HG2 THR 68 2HG2 THR 68 -12.524 4.592 14.418 335 3HG2 THR 68 3HG2 THR 68 -11.049 3.626 14.473 336 H ILE 69 H ILE 69 -10.458 7.871 10.840 337 HA ILE 69 HA ILE 69 -9.128 9.738 12.607 338 HB ILE 69 HB ILE 69 -9.181 9.768 9.584 339 1HG1 ILE 69 1HG1 ILE 69 -8.364 7.606 10.333 340 2HG1 ILE 69 2HG1 ILE 69 -7.024 8.565 9.721 341 1HG2 ILE 69 1HG2 ILE 69 -8.419 11.849 10.569 342 2HG2 ILE 69 2HG2 ILE 69 -7.071 10.998 9.814 343 3HG2 ILE 69 3HG2 ILE 69 -7.257 10.974 11.568 344 1HD1 ILE 69 1HD1 ILE 69 -7.700 8.145 12.624 345 2HD1 ILE 69 2HD1 ILE 69 -6.346 9.088 12.000 346 3HD1 ILE 69 3HD1 ILE 69 -6.408 7.346 11.728 347 H SER 70 H SER 70 -9.496 11.948 12.771 348 HA SER 70 HA SER 70 -12.175 12.819 12.009 349 1HB SER 70 1HB SER 70 -10.171 14.388 13.627 350 2HB SER 70 2HB SER 70 -11.931 14.518 13.642 351 HG SER 70 HG SER 70 -10.287 12.476 14.710 352 H VAL 71 H VAL 71 -12.421 15.096 11.203 353 HA VAL 71 HA VAL 71 -10.709 15.501 8.920 354 HB VAL 71 HB VAL 71 -12.868 17.369 9.899 355 1HG1 VAL 71 1HG1 VAL 71 -11.422 18.285 8.187 356 2HG1 VAL 71 2HG1 VAL 71 -13.034 17.987 7.536 357 3HG1 VAL 71 3HG1 VAL 71 -11.712 16.881 7.160 358 1HG2 VAL 71 1HG2 VAL 71 -13.187 14.961 8.113 359 2HG2 VAL 71 2HG2 VAL 71 -14.422 16.184 8.414 360 3HG2 VAL 71 3HG2 VAL 71 -13.852 15.163 9.734 361 H GLY 72 H GLY 72 -8.858 16.595 8.996 362 1HA GLY 72 1HA GLY 72 -7.498 18.460 9.420 363 2HA GLY 72 2HA GLY 72 -8.688 19.034 10.581 364 H GLU 73 H GLU 73 -7.638 15.752 10.708 365 HA GLU 73 HA GLU 73 -6.311 16.313 13.262 366 1HB GLU 73 1HB GLU 73 -8.206 14.607 13.046 367 2HB GLU 73 2HB GLU 73 -7.042 13.608 12.189 368 1HG GLU 73 1HG GLU 73 -5.565 13.713 14.171 369 2HG GLU 73 2HG GLU 73 -6.840 14.582 15.024 370 H VAL 74 H VAL 74 -4.236 15.495 13.682 371 HA VAL 74 HA VAL 74 -2.650 15.134 11.258 372 HB VAL 74 HB VAL 74 -1.705 15.626 14.091 373 1HG1 VAL 74 1HG1 VAL 74 0.451 16.140 13.060 374 2HG1 VAL 74 2HG1 VAL 74 -0.203 15.724 11.476 375 3HG1 VAL 74 3HG1 VAL 74 -0.042 14.481 12.717 376 1HG2 VAL 74 1HG2 VAL 74 -1.982 17.539 11.774 377 2HG2 VAL 74 2HG2 VAL 74 -1.252 17.914 13.335 378 3HG2 VAL 74 3HG2 VAL 74 -2.969 17.522 13.237 379 H ILE 75 H ILE 75 -2.263 13.161 10.629 380 HA ILE 75 HA ILE 75 -2.114 11.004 12.613 381 HB ILE 75 HB ILE 75 -2.389 9.474 10.665 382 1HG1 ILE 75 1HG1 ILE 75 -2.972 12.040 9.164 383 2HG1 ILE 75 2HG1 ILE 75 -1.560 11.017 8.922 384 1HG2 ILE 75 1HG2 ILE 75 -4.792 9.935 10.361 385 2HG2 ILE 75 2HG2 ILE 75 -4.559 11.515 11.111 386 3HG2 ILE 75 3HG2 ILE 75 -4.281 10.046 12.046 387 1HD1 ILE 75 1HD1 ILE 75 -3.248 10.678 7.192 388 2HD1 ILE 75 2HD1 ILE 75 -4.414 10.202 8.427 389 3HD1 ILE 75 3HD1 ILE 75 -2.985 9.212 8.139 390 H ASN 76 H ASN 76 -0.660 9.153 11.699 391 HA ASN 76 HA ASN 76 1.958 10.350 11.071 392 1HB ASN 76 1HB ASN 76 1.775 9.721 13.447 393 2HB ASN 76 2HB ASN 76 1.312 8.092 12.983 394 1HD2 ASN 76 1HD2 ASN 76 2.974 7.017 13.882 395 2HD2 ASN 76 2HD2 ASN 76 4.616 7.182 13.365 396 H ILE 77 H ILE 77 3.056 9.383 9.401 397 HA ILE 77 HA ILE 77 2.117 6.735 8.488 398 HB ILE 77 HB ILE 77 2.559 9.109 6.655 399 1HG1 ILE 77 1HG1 ILE 77 0.009 7.647 7.374 400 2HG1 ILE 77 2HG1 ILE 77 0.447 9.257 7.933 401 1HG2 ILE 77 1HG2 ILE 77 1.772 7.616 4.888 402 2HG2 ILE 77 2HG2 ILE 77 1.662 6.293 6.049 403 3HG2 ILE 77 3HG2 ILE 77 3.233 6.990 5.651 404 1HD1 ILE 77 1HD1 ILE 77 -1.156 9.359 6.115 405 2HD1 ILE 77 2HD1 ILE 77 -0.058 8.449 5.077 406 3HD1 ILE 77 3HD1 ILE 77 0.385 10.064 5.628 407 H THR 78 H THR 78 3.851 5.510 8.760 408 HA THR 78 HA THR 78 6.497 6.477 8.096 409 HB THR 78 HB THR 78 5.573 3.734 8.980 410 HG1 THR 78 HG1 THR 78 5.491 4.819 10.819 411 1HG2 THR 78 1HG2 THR 78 8.375 4.835 8.701 412 2HG2 THR 78 2HG2 THR 78 7.647 3.596 7.678 413 3HG2 THR 78 3HG2 THR 78 7.946 3.268 9.385 414 H THR 79 H THR 79 7.375 6.329 6.137 415 HA THR 79 HA THR 79 6.179 4.428 4.228 416 HB THR 79 HB THR 79 6.639 6.070 2.430 417 HG1 THR 79 HG1 THR 79 7.620 7.523 4.611 418 1HG2 THR 79 1HG2 THR 79 4.394 5.936 3.371 419 2HG2 THR 79 2HG2 THR 79 4.789 7.596 2.930 420 3HG2 THR 79 3HG2 THR 79 4.835 7.099 4.621 421 H ASP 80 H ASP 80 7.734 4.603 2.140 422 HA ASP 80 HA ASP 80 10.042 3.176 2.616 423 1HB ASP 80 1HB ASP 80 8.976 3.285 0.430 424 2HB ASP 80 2HB ASP 80 9.345 4.999 0.303 425 H GLN 81 H GLN 81 9.641 6.693 2.326 426 HA GLN 81 HA GLN 81 12.520 7.047 2.625 427 1HB GLN 81 1HB GLN 81 10.311 8.950 1.880 428 2HB GLN 81 2HB GLN 81 11.956 9.485 2.197 429 1HG GLN 81 1HG GLN 81 11.134 7.514 0.077 430 2HG GLN 81 2HG GLN 81 11.512 9.215 -0.190 431 1HE2 GLN 81 1HE2 GLN 81 12.767 6.060 0.487 432 2HE2 GLN 81 2HE2 GLN 81 14.438 6.459 0.252 433 H GLY 82 H GLY 82 10.302 6.446 4.765 434 1HA GLY 82 1HA GLY 82 11.208 6.696 7.061 435 2HA GLY 82 2HA GLY 82 11.445 8.392 6.673 436 H THR 83 H THR 83 10.209 8.353 8.800 437 HA THR 83 HA THR 83 7.352 7.908 8.503 438 HB THR 83 HB THR 83 8.932 8.740 10.941 439 HG1 THR 83 HG1 THR 83 7.892 6.146 10.578 440 1HG2 THR 83 1HG2 THR 83 6.143 7.621 10.657 441 2HG2 THR 83 2HG2 THR 83 6.559 9.271 11.122 442 3HG2 THR 83 3HG2 THR 83 6.974 7.924 12.181 443 H PHE 84 H PHE 84 6.063 9.485 7.871 444 HA PHE 84 HA PHE 84 6.871 12.274 8.383 445 1HB PHE 84 1HB PHE 84 5.194 11.145 6.127 446 2HB PHE 84 2HB PHE 84 5.501 12.857 6.392 447 HD1 PHE 84 HD1 PHE 84 7.945 13.628 6.368 448 HD2 PHE 84 HD2 PHE 84 6.640 9.881 4.830 449 HE1 PHE 84 HE1 PHE 84 9.999 13.468 5.022 450 HE2 PHE 84 HE2 PHE 84 8.692 9.716 3.482 451 HZ PHE 84 HZ PHE 84 10.374 11.510 3.578 452 H HIS 85 H HIS 85 5.014 13.792 8.557 453 HA HIS 85 HA HIS 85 2.755 12.505 9.933 454 1HB HIS 85 1HB HIS 85 2.585 14.669 11.230 455 2HB HIS 85 2HB HIS 85 3.981 13.672 11.596 456 HD1 HIS 85 HD1 HIS 85 6.306 14.612 10.993 457 HD2 HIS 85 HD2 HIS 85 3.146 17.134 9.995 458 HE1 HIS 85 HE1 HIS 85 7.347 16.850 10.485 459 HE2 HIS 85 HE2 HIS 85 5.434 18.307 9.723 460 H LEU 86 H LEU 86 0.752 12.985 9.263 461 HA LEU 86 HA LEU 86 0.521 14.949 7.067 462 1HB LEU 86 1HB LEU 86 0.488 12.490 6.424 463 2HB LEU 86 2HB LEU 86 -1.006 12.365 7.322 464 HG LEU 86 HG LEU 86 -0.815 14.350 5.093 465 1HD1 LEU 86 1HD1 LEU 86 -1.545 12.650 3.518 466 2HD1 LEU 86 2HD1 LEU 86 -1.409 11.412 4.767 467 3HD1 LEU 86 3HD1 LEU 86 0.036 12.237 4.179 468 1HD2 LEU 86 1HD2 LEU 86 -3.045 12.651 6.214 469 2HD2 LEU 86 2HD2 LEU 86 -3.204 13.800 4.885 470 3HD2 LEU 86 3HD2 LEU 86 -2.800 14.373 6.504 471 H LYS 87 H LYS 87 -1.353 16.159 7.007 472 HA LYS 87 HA LYS 87 -3.144 15.879 9.325 473 1HB LYS 87 1HB LYS 87 -1.901 17.989 9.424 474 2HB LYS 87 2HB LYS 87 -2.436 18.400 7.800 475 1HG LYS 87 1HG LYS 87 -4.720 18.565 8.542 476 2HG LYS 87 2HG LYS 87 -4.273 18.012 10.155 477 1HD LYS 87 1HD LYS 87 -2.897 20.012 10.460 478 2HD LYS 87 2HD LYS 87 -3.323 20.556 8.836 479 1HE LYS 87 1HE LYS 87 -5.647 20.740 9.463 480 2HE LYS 87 2HE LYS 87 -5.308 20.062 11.052 481 1HZ LYS 87 1HZ LYS 87 -3.969 21.996 11.568 482 2HZ LYS 87 2HZ LYS 87 -5.533 22.470 11.115 483 3HZ LYS 87 3HZ LYS 87 -4.248 22.645 10.025 484 H THR 88 H THR 88 -5.099 15.182 8.813 485 HA THR 88 HA THR 88 -5.820 14.660 6.134 486 HB THR 88 HB THR 88 -8.076 14.087 7.137 487 HG1 THR 88 HG1 THR 88 -8.028 13.988 9.483 488 1HG2 THR 88 1HG2 THR 88 -5.617 12.845 8.380 489 2HG2 THR 88 2HG2 THR 88 -6.316 12.416 6.818 490 3HG2 THR 88 3HG2 THR 88 -7.217 12.107 8.303 491 H GLY 89 H GLY 89 -6.961 15.741 4.674 492 1HA GLY 89 1HA GLY 89 -7.956 18.396 5.450 493 2HA GLY 89 2HA GLY 89 -7.510 17.906 3.820 494 H ARG 90 H ARG 90 -9.372 18.244 2.732 495 HA ARG 90 HA ARG 90 -11.807 17.017 3.827 496 1HB ARG 90 1HB ARG 90 -11.468 19.527 2.198 497 2HB ARG 90 2HB ARG 90 -13.028 18.764 2.484 498 1HG ARG 90 1HG ARG 90 -12.817 19.082 4.849 499 2HG ARG 90 2HG ARG 90 -11.171 19.690 4.658 500 1HD ARG 90 1HD ARG 90 -11.941 21.624 3.504 501 2HD ARG 90 2HD ARG 90 -13.586 20.985 3.426 502 HE ARG 90 HE ARG 90 -12.464 21.367 6.087 503 1HH1 ARG 90 1HH1 ARG 90 -14.453 22.699 3.521 504 2HH1 ARG 90 2HH1 ARG 90 -15.344 23.742 4.592 505 1HH2 ARG 90 1HH2 ARG 90 -13.609 22.712 7.480 506 2HH2 ARG 90 2HH2 ARG 90 -14.864 23.748 6.868 507 H ASN 91 H ASN 91 -13.434 16.442 2.179 508 HA ASN 91 HA ASN 91 -12.135 15.259 -0.165 509 1HB ASN 91 1HB ASN 91 -13.653 13.216 0.395 510 2HB ASN 91 2HB ASN 91 -12.143 13.432 1.279 511 1HD2 ASN 91 1HD2 ASN 91 -15.612 13.635 1.443 512 2HD2 ASN 91 2HD2 ASN 91 -15.721 13.729 3.167 513 HA PRO 92 HA PRO 92 -15.985 16.860 -1.950 514 1HB PRO 92 1HB PRO 92 -14.523 16.904 -4.430 515 2HB PRO 92 2HB PRO 92 -15.102 18.263 -3.475 516 1HG PRO 92 1HG PRO 92 -12.457 17.682 -3.822 517 2HG PRO 92 2HG PRO 92 -13.098 18.532 -2.405 518 1HD PRO 92 1HD PRO 92 -12.376 15.637 -2.710 519 2HD PRO 92 2HD PRO 92 -12.049 16.740 -1.354 520 H ASN 93 H ASN 93 -14.239 14.092 -2.250 521 HA ASN 93 HA ASN 93 -16.083 12.876 -4.165 522 1HB ASN 93 1HB ASN 93 -13.934 13.496 -5.301 523 2HB ASN 93 2HB ASN 93 -13.089 12.429 -4.186 524 1HD2 ASN 93 1HD2 ASN 93 -13.406 10.186 -4.355 525 2HD2 ASN 93 2HD2 ASN 93 -14.006 9.468 -5.813 526 H ASN 94 H ASN 94 -16.982 12.215 -2.090 527 HA ASN 94 HA ASN 94 -17.636 10.398 -0.868 528 1HB ASN 94 1HB ASN 94 -16.551 9.183 -2.936 529 2HB ASN 94 2HB ASN 94 -15.264 8.803 -1.802 530 1HD2 ASN 94 1HD2 ASN 94 -17.166 7.071 -3.205 531 2HD2 ASN 94 2HD2 ASN 94 -17.968 6.155 -1.964 532 H SER 95 H SER 95 -16.032 8.523 0.531 533 HA SER 95 HA SER 95 -14.582 8.189 2.243 534 1HB SER 95 1HB SER 95 -13.502 10.969 1.739 535 2HB SER 95 2HB SER 95 -12.730 9.681 2.665 536 HG SER 95 HG SER 95 -13.151 9.861 -0.117 537 H SER 96 H SER 96 -16.495 11.071 2.136 538 HA SER 96 HA SER 96 -17.867 12.045 3.637 539 1HB SER 96 1HB SER 96 -17.054 9.798 5.487 540 2HB SER 96 2HB SER 96 -18.345 10.958 5.803 541 HG SER 96 HG SER 96 -18.638 9.858 3.349 542 H ARG 97 H ARG 97 -14.986 10.941 5.501 543 HA ARG 97 HA ARG 97 -14.479 13.742 6.162 544 1HB ARG 97 1HB ARG 97 -14.232 13.281 8.521 545 2HB ARG 97 2HB ARG 97 -15.848 12.839 8.009 546 1HG ARG 97 1HG ARG 97 -13.775 10.714 8.034 547 2HG ARG 97 2HG ARG 97 -14.390 11.289 9.584 548 1HD ARG 97 1HD ARG 97 -16.099 10.294 7.307 549 2HD ARG 97 2HD ARG 97 -15.628 9.333 8.711 550 HE ARG 97 HE ARG 97 -16.791 11.635 9.710 551 1HH1 ARG 97 1HH1 ARG 97 -17.793 8.926 7.709 552 2HH1 ARG 97 2HH1 ARG 97 -19.461 9.030 8.186 553 1HH2 ARG 97 1HH2 ARG 97 -18.979 11.779 10.314 554 2HH2 ARG 97 2HH2 ARG 97 -20.127 10.643 9.677 555 H ALA 98 H ALA 98 -12.352 14.217 6.705 556 HA ALA 98 HA ALA 98 -10.125 14.000 7.036 557 1HB ALA 98 1HB ALA 98 -10.761 11.145 7.745 558 2HB ALA 98 2HB ALA 98 -10.797 12.513 8.859 559 3HB ALA 98 3HB ALA 98 -9.273 12.012 8.125 560 H TYR 99 H TYR 99 -9.783 14.355 4.774 561 HA TYR 99 HA TYR 99 -9.128 11.908 3.282 562 1HB TYR 99 1HB TYR 99 -10.849 13.563 2.368 563 2HB TYR 99 2HB TYR 99 -9.494 14.655 2.096 564 HD1 TYR 99 HD1 TYR 99 -8.822 14.727 -0.102 565 HD2 TYR 99 HD2 TYR 99 -10.148 11.020 1.508 566 HE1 TYR 99 HE1 TYR 99 -8.385 13.637 -2.261 567 HE2 TYR 99 HE2 TYR 99 -9.714 9.920 -0.645 568 HH TYR 99 HH TYR 99 -9.468 10.464 -2.973 569 H MET 100 H MET 100 -7.062 11.443 3.056 570 HA MET 100 HA MET 100 -5.029 13.230 3.941 571 1HB MET 100 1HB MET 100 -3.454 11.444 3.201 572 2HB MET 100 2HB MET 100 -4.696 10.891 4.312 573 1HG MET 100 1HG MET 100 -4.863 10.558 1.328 574 2HG MET 100 2HG MET 100 -4.172 9.354 2.410 575 1HE MET 100 1HE MET 100 -5.579 8.098 4.312 576 2HE MET 100 2HE MET 100 -7.290 8.400 4.613 577 3HE MET 100 3HE MET 100 -6.100 9.654 4.958 578 H GLY 101 H GLY 101 -6.508 12.636 0.910 579 1HA GLY 101 1HA GLY 101 -6.375 13.954 -0.980 580 2HA GLY 101 2HA GLY 101 -5.078 14.856 -0.215 581 H ILE 102 H ILE 102 -5.089 11.373 -0.725 582 HA ILE 102 HA ILE 102 -3.222 11.654 -2.961 583 HB ILE 102 HB ILE 102 -1.631 10.078 -2.025 584 1HG1 ILE 102 1HG1 ILE 102 -3.293 10.170 0.505 585 2HG1 ILE 102 2HG1 ILE 102 -3.208 8.806 -0.606 586 1HG2 ILE 102 1HG2 ILE 102 -2.155 12.363 -0.126 587 2HG2 ILE 102 2HG2 ILE 102 -1.198 12.429 -1.605 588 3HG2 ILE 102 3HG2 ILE 102 -0.651 11.452 -0.244 589 1HD1 ILE 102 1HD1 ILE 102 -0.820 8.581 -0.118 590 2HD1 ILE 102 2HD1 ILE 102 -1.817 8.421 1.331 591 3HD1 ILE 102 3HD1 ILE 102 -0.939 9.918 1.023 592 H ARG 103 H ARG 103 -3.061 9.797 -4.244 593 HA ARG 103 HA ARG 103 -5.289 7.928 -3.994 594 1HB ARG 103 1HB ARG 103 -3.333 8.600 -6.180 595 2HB ARG 103 2HB ARG 103 -4.238 7.092 -6.228 596 1HG ARG 103 1HG ARG 103 -6.317 8.257 -6.319 597 2HG ARG 103 2HG ARG 103 -5.527 9.807 -6.020 598 1HD ARG 103 1HD ARG 103 -6.201 9.213 -8.436 599 2HD ARG 103 2HD ARG 103 -4.594 9.879 -8.154 600 HE ARG 103 HE ARG 103 -3.684 7.674 -8.435 601 1HH1 ARG 103 1HH1 ARG 103 -7.057 7.999 -9.318 602 2HH1 ARG 103 2HH1 ARG 103 -7.055 6.614 -10.361 603 1HH2 ARG 103 1HH2 ARG 103 -3.658 5.842 -9.793 604 2HH2 ARG 103 2HH2 ARG 103 -5.105 5.402 -10.655 605 H THR 104 H THR 104 -5.012 5.801 -3.451 606 HA THR 104 HA THR 104 -2.252 4.887 -3.019 607 HB THR 104 HB THR 104 -4.423 4.279 -1.027 608 HG1 THR 104 HG1 THR 104 -4.109 6.173 -0.060 609 1HG2 THR 104 1HG2 THR 104 -1.410 4.359 -0.817 610 2HG2 THR 104 2HG2 THR 104 -2.399 2.904 -0.947 611 3HG2 THR 104 3HG2 THR 104 -2.521 3.930 0.483 612 H SER 105 H SER 105 -1.997 2.605 -2.933 613 HA SER 105 HA SER 105 -4.215 0.901 -3.716 614 1HB SER 105 1HB SER 105 -3.306 1.764 -5.865 615 2HB SER 105 2HB SER 105 -1.717 1.142 -5.426 616 HG SER 105 HG SER 105 -2.938 -0.273 -6.814 617 H ASN 106 H ASN 106 -2.944 -1.439 -4.163 618 HA ASN 106 HA ASN 106 -1.363 -1.778 -1.713 619 1HB ASN 106 1HB ASN 106 -1.923 -4.240 -2.018 620 2HB ASN 106 2HB ASN 106 -3.253 -3.180 -1.586 621 1HD2 ASN 106 1HD2 ASN 106 -4.695 -4.738 -2.371 622 2HD2 ASN 106 2HD2 ASN 106 -4.968 -4.945 -4.064 623 H HIS 107 H HIS 107 -1.360 -2.375 -5.153 624 HA HIS 107 HA HIS 107 0.243 -3.021 -6.628 625 1HB HIS 107 1HB HIS 107 1.300 -0.962 -5.590 626 2HB HIS 107 2HB HIS 107 2.230 -2.049 -4.565 627 HD1 HIS 107 HD1 HIS 107 4.188 -3.311 -5.656 628 HD2 HIS 107 HD2 HIS 107 2.047 -0.927 -8.297 629 HE1 HIS 107 HE1 HIS 107 5.614 -3.141 -7.722 630 HE2 HIS 107 HE2 HIS 107 4.391 -1.513 -9.208 631 H LEU 108 H LEU 108 -0.720 -5.120 -5.311 632 HA LEU 108 HA LEU 108 1.425 -6.640 -4.096 633 1HB LEU 108 1HB LEU 108 -1.491 -7.105 -4.547 634 2HB LEU 108 2HB LEU 108 -0.441 -8.459 -4.174 635 HG LEU 108 HG LEU 108 -0.505 -6.025 -2.434 636 1HD1 LEU 108 1HD1 LEU 108 -2.136 -7.171 -1.015 637 2HD1 LEU 108 2HD1 LEU 108 -2.263 -8.467 -2.204 638 3HD1 LEU 108 3HD1 LEU 108 -2.806 -6.839 -2.612 639 1HD2 LEU 108 1HD2 LEU 108 1.352 -7.580 -2.163 640 2HD2 LEU 108 2HD2 LEU 108 0.214 -8.905 -1.925 641 3HD2 LEU 108 3HD2 LEU 108 0.296 -7.594 -0.749 642 H ARG 109 H ARG 109 2.454 -8.303 -4.904 643 HA ARG 109 HA ARG 109 3.323 -9.810 -6.365 644 1HB ARG 109 1HB ARG 109 1.089 -10.699 -6.597 645 2HB ARG 109 2HB ARG 109 0.675 -9.451 -7.764 646 1HG ARG 109 1HG ARG 109 2.430 -10.396 -9.271 647 2HG ARG 109 2HG ARG 109 2.596 -11.732 -8.127 648 1HD ARG 109 1HD ARG 109 0.316 -12.384 -8.461 649 2HD ARG 109 2HD ARG 109 -0.004 -10.946 -9.431 650 HE ARG 109 HE ARG 109 1.810 -13.113 -10.279 651 1HH1 ARG 109 1HH1 ARG 109 -0.630 -10.702 -10.958 652 2HH1 ARG 109 2HH1 ARG 109 -0.674 -11.032 -12.664 653 1HH2 ARG 109 1HH2 ARG 109 1.744 -13.575 -12.511 654 2HH2 ARG 109 2HH2 ARG 109 0.658 -12.692 -13.539 655 H VAL 110 H VAL 110 4.779 -9.696 -7.997 656 HA VAL 110 HA VAL 110 5.133 -7.276 -9.453 657 HB VAL 110 HB VAL 110 7.016 -8.763 -8.851 658 1HG1 VAL 110 1HG1 VAL 110 5.955 -10.917 -9.203 659 2HG1 VAL 110 2HG1 VAL 110 7.443 -10.800 -10.142 660 3HG1 VAL 110 3HG1 VAL 110 5.880 -10.616 -10.939 661 1HG2 VAL 110 1HG2 VAL 110 8.231 -8.615 -10.965 662 2HG2 VAL 110 2HG2 VAL 110 7.299 -7.151 -10.655 663 3HG2 VAL 110 3HG2 VAL 110 6.715 -8.339 -11.822 664 H ARG 111 H ARG 111 4.861 -6.910 -11.690 665 HA ARG 111 HA ARG 111 2.658 -8.508 -12.793 666 1HB ARG 111 1HB ARG 111 1.988 -6.484 -14.004 667 2HB ARG 111 2HB ARG 111 2.070 -6.190 -12.276 668 1HG ARG 111 1HG ARG 111 3.059 -4.296 -13.112 669 2HG ARG 111 2HG ARG 111 4.469 -5.315 -12.813 670 1HD ARG 111 1HD ARG 111 4.424 -6.004 -15.188 671 2HD ARG 111 2HD ARG 111 3.076 -4.900 -15.461 672 HE ARG 111 HE ARG 111 4.810 -3.169 -14.552 673 1HH1 ARG 111 1HH1 ARG 111 5.418 -5.875 -16.693 674 2HH1 ARG 111 2HH1 ARG 111 6.765 -5.120 -17.491 675 1HH2 ARG 111 1HH2 ARG 111 6.614 -2.187 -15.555 676 2HH2 ARG 111 2HH2 ARG 111 7.450 -3.020 -16.836 677 H ASP 112 H ASP 112 2.499 -8.360 -15.240 678 HA ASP 112 HA ASP 112 5.013 -8.048 -16.638 679 1HB ASP 112 1HB ASP 112 4.943 -10.457 -15.970 680 2HB ASP 112 2HB ASP 112 3.413 -10.617 -16.830 681 H SER 113 H SER 113 4.704 -7.736 -18.856 682 HA SER 113 HA SER 113 3.686 -7.185 -20.796 683 1HB SER 113 1HB SER 113 1.182 -8.325 -19.536 684 2HB SER 113 2HB SER 113 1.366 -7.882 -21.233 685 HG SER 113 HG SER 113 3.066 -9.754 -19.934 686 H VAL 114 H VAL 114 3.670 -5.081 -21.103 687 HA VAL 114 HA VAL 114 1.922 -3.403 -19.472 688 HB VAL 114 HB VAL 114 3.148 -1.494 -20.534 689 1HG1 VAL 114 1HG1 VAL 114 4.846 -3.524 -19.092 690 2HG1 VAL 114 2HG1 VAL 114 3.780 -2.339 -18.339 691 3HG1 VAL 114 3HG1 VAL 114 5.200 -1.802 -19.236 692 1HG2 VAL 114 1HG2 VAL 114 5.275 -1.978 -21.681 693 2HG2 VAL 114 2HG2 VAL 114 3.882 -2.578 -22.581 694 3HG2 VAL 114 3HG2 VAL 114 4.879 -3.698 -21.655 695 H ALA 115 H ALA 115 0.169 -2.415 -20.249 696 HA ALA 115 HA ALA 115 -0.453 -2.755 -23.100 697 1HB ALA 115 1HB ALA 115 -2.315 -2.170 -20.799 698 2HB ALA 115 2HB ALA 115 -2.058 -3.752 -21.534 699 3HB ALA 115 3HB ALA 115 -2.787 -2.453 -22.477 700 H SER 116 H SER 116 -0.663 -1.007 -24.386 701 HA SER 116 HA SER 116 -0.187 1.594 -23.124 702 1HB SER 116 1HB SER 116 1.349 0.646 -24.963 703 2HB SER 116 2HB SER 116 0.028 1.000 -26.076 704 HG SER 116 HG SER 116 1.830 2.688 -24.911 705 H VAL 117 H VAL 117 -2.349 1.923 -22.479 706 HA VAL 117 HA VAL 117 -4.118 2.696 -24.699 707 HB VAL 117 HB VAL 117 -5.028 1.489 -22.085 708 1HG1 VAL 117 1HG1 VAL 117 -6.612 3.106 -22.951 709 2HG1 VAL 117 2HG1 VAL 117 -7.251 1.474 -23.136 710 3HG1 VAL 117 3HG1 VAL 117 -6.584 2.321 -24.531 711 1HG2 VAL 117 1HG2 VAL 117 -5.028 0.286 -24.854 712 2HG2 VAL 117 2HG2 VAL 117 -5.735 -0.447 -23.413 713 3HG2 VAL 117 3HG2 VAL 117 -3.992 -0.199 -23.511 714 H LEU 118 H LEU 118 -4.160 4.853 -24.665 715 HA LEU 118 HA LEU 118 -3.823 6.253 -22.126 716 1HB LEU 118 1HB LEU 118 -3.885 7.279 -24.967 717 2HB LEU 118 2HB LEU 118 -3.615 8.274 -23.552 718 HG LEU 118 HG LEU 118 -1.506 7.913 -24.523 719 1HD1 LEU 118 1HD1 LEU 118 -0.270 6.684 -22.828 720 2HD1 LEU 118 2HD1 LEU 118 -1.778 5.985 -22.237 721 3HD1 LEU 118 3HD1 LEU 118 -1.503 7.722 -22.114 722 1HD2 LEU 118 1HD2 LEU 118 -0.584 5.727 -25.067 723 2HD2 LEU 118 2HD2 LEU 118 -2.059 6.051 -25.977 724 3HD2 LEU 118 3HD2 LEU 118 -2.103 4.966 -24.588 725 H GLY 119 H GLY 119 -6.061 6.121 -24.879 726 1HA GLY 119 1HA GLY 119 -8.295 6.672 -25.018 727 2HA GLY 119 2HA GLY 119 -8.339 6.706 -23.259 728 H ASP 120 H ASP 120 -6.859 8.572 -25.895 729 HA ASP 120 HA ASP 120 -6.838 10.962 -24.325 730 1HB ASP 120 1HB ASP 120 -5.976 12.051 -26.394 731 2HB ASP 120 2HB ASP 120 -5.051 10.637 -25.916 732 H THR 121 H THR 121 -8.595 12.058 -23.899 733 HA THR 121 HA THR 121 -10.791 12.168 -25.780 734 HB THR 121 HB THR 121 -10.538 13.275 -23.038 735 HG1 THR 121 HG1 THR 121 -12.086 11.063 -23.929 736 1HG2 THR 121 1HG2 THR 121 -12.134 14.565 -24.375 737 2HG2 THR 121 2HG2 THR 121 -12.952 13.637 -23.118 738 3HG2 THR 121 3HG2 THR 121 -12.977 13.069 -24.787 739 H LEU 122 H LEU 122 -11.153 13.802 -27.123 740 HA LEU 122 HA LEU 122 -9.473 16.204 -26.815 741 1HB LEU 122 1HB LEU 122 -10.630 14.928 -29.297 742 2HB LEU 122 2HB LEU 122 -9.777 16.460 -29.281 743 HG LEU 122 HG LEU 122 -8.566 13.823 -28.448 744 1HD1 LEU 122 1HD1 LEU 122 -7.328 13.935 -30.543 745 2HD1 LEU 122 2HD1 LEU 122 -8.218 15.389 -30.998 746 3HD1 LEU 122 3HD1 LEU 122 -9.065 13.850 -30.836 747 1HD2 LEU 122 1HD2 LEU 122 -7.325 16.531 -28.911 748 2HD2 LEU 122 2HD2 LEU 122 -6.455 15.046 -28.527 749 3HD2 LEU 122 3HD2 LEU 122 -7.559 15.750 -27.346 750 HA PRO 123 HA PRO 123 -13.117 18.669 -26.319 751 1HB PRO 123 1HB PRO 123 -12.274 20.993 -27.482 752 2HB PRO 123 2HB PRO 123 -11.775 20.471 -25.869 753 1HG PRO 123 1HG PRO 123 -10.324 20.218 -28.477 754 2HG PRO 123 2HG PRO 123 -9.692 20.685 -26.887 755 1HD PRO 123 1HD PRO 123 -9.363 18.206 -27.892 756 2HD PRO 123 2HD PRO 123 -9.583 18.493 -26.154 757 H PHE 124 H PHE 124 -14.941 19.258 -27.443 758 HA PHE 124 HA PHE 124 -14.799 19.121 -30.376 759 1HB PHE 124 1HB PHE 124 -17.035 17.954 -30.312 760 2HB PHE 124 2HB PHE 124 -15.681 16.995 -29.728 761 HD1 PHE 124 HD1 PHE 124 -15.462 16.470 -27.357 762 HD2 PHE 124 HD2 PHE 124 -18.800 18.653 -28.840 763 HE1 PHE 124 HE1 PHE 124 -16.672 16.030 -25.263 764 HE2 PHE 124 HE2 PHE 124 -20.015 18.220 -26.745 765 HZ PHE 124 HZ PHE 124 -18.950 16.906 -24.954 766 H ALA 125 H ALA 125 -16.275 20.384 -31.507 767 HA ALA 125 HA ALA 125 -18.045 22.139 -29.998 768 1HB ALA 125 1HB ALA 125 -17.153 24.166 -31.036 769 2HB ALA 125 2HB ALA 125 -15.899 23.215 -31.837 770 3HB ALA 125 3HB ALA 125 -15.914 23.356 -30.078 Start of MODEL 14 1 H GLN 23 H GLN 23 0.404 -7.383 -6.079 2 HA GLN 23 HA GLN 23 0.056 -9.412 -4.017 3 1HB GLN 23 1HB GLN 23 2.462 -7.770 -4.812 4 2HB GLN 23 2HB GLN 23 2.451 -8.916 -3.477 5 1HG GLN 23 1HG GLN 23 1.785 -10.678 -5.146 6 2HG GLN 23 2HG GLN 23 2.116 -9.493 -6.406 7 1HE2 GLN 23 1HE2 GLN 23 3.397 -12.065 -5.835 8 2HE2 GLN 23 2HE2 GLN 23 5.077 -11.716 -5.623 9 HA PRO 24 HA PRO 24 -0.882 -6.260 -1.023 10 1HB PRO 24 1HB PRO 24 -1.423 -7.870 1.012 11 2HB PRO 24 2HB PRO 24 -2.460 -7.866 -0.422 12 1HG PRO 24 1HG PRO 24 -0.337 -9.812 0.380 13 2HG PRO 24 2HG PRO 24 -1.921 -10.123 -0.351 14 1HD PRO 24 1HD PRO 24 0.492 -10.011 -1.730 15 2HD PRO 24 2HD PRO 24 -1.116 -9.845 -2.461 16 H ASP 25 H ASP 25 -0.401 -6.639 1.630 17 HA ASP 25 HA ASP 25 1.095 -6.554 3.333 18 1HB ASP 25 1HB ASP 25 2.160 -8.589 2.471 19 2HB ASP 25 2HB ASP 25 3.129 -7.626 1.363 20 H GLY 26 H GLY 26 0.452 -4.332 2.682 21 1HA GLY 26 1HA GLY 26 1.498 -2.264 3.345 22 2HA GLY 26 2HA GLY 26 2.913 -2.745 2.434 23 H VAL 27 H VAL 27 0.312 -0.788 2.420 24 HA VAL 27 HA VAL 27 -0.388 -0.929 -0.371 25 HB VAL 27 HB VAL 27 -1.785 1.043 0.044 26 1HG1 VAL 27 1HG1 VAL 27 -3.305 0.032 1.699 27 2HG1 VAL 27 2HG1 VAL 27 -2.032 -1.101 2.150 28 3HG1 VAL 27 3HG1 VAL 27 -2.713 -1.139 0.523 29 1HG2 VAL 27 1HG2 VAL 27 -0.645 0.960 2.838 30 2HG2 VAL 27 2HG2 VAL 27 -1.961 2.002 2.291 31 3HG2 VAL 27 3HG2 VAL 27 -0.339 2.206 1.628 32 H GLN 28 H GLN 28 -0.088 0.798 -1.892 33 HA GLN 28 HA GLN 28 2.409 2.264 -1.342 34 1HB GLN 28 1HB GLN 28 2.908 0.633 -2.976 35 2HB GLN 28 2HB GLN 28 1.429 0.956 -3.871 36 1HG GLN 28 1HG GLN 28 2.246 2.981 -4.716 37 2HG GLN 28 2HG GLN 28 3.561 3.042 -3.547 38 1HE2 GLN 28 1HE2 GLN 28 4.355 0.320 -3.857 39 2HE2 GLN 28 2HE2 GLN 28 5.111 0.192 -5.394 40 H ILE 29 H ILE 29 2.655 4.320 -2.104 41 HA ILE 29 HA ILE 29 0.276 5.919 -2.319 42 HB ILE 29 HB ILE 29 3.095 6.787 -2.995 43 1HG1 ILE 29 1HG1 ILE 29 3.060 5.764 -0.748 44 2HG1 ILE 29 2HG1 ILE 29 3.356 7.498 -0.674 45 1HG2 ILE 29 1HG2 ILE 29 0.701 8.340 -2.025 46 2HG2 ILE 29 2HG2 ILE 29 1.327 8.325 -3.674 47 3HG2 ILE 29 3HG2 ILE 29 2.296 9.009 -2.368 48 1HD1 ILE 29 1HD1 ILE 29 1.047 7.875 -0.046 49 2HD1 ILE 29 2HD1 ILE 29 1.834 6.762 1.072 50 3HD1 ILE 29 3HD1 ILE 29 0.721 6.146 -0.151 51 H ASP 30 H ASP 30 -0.907 5.791 -4.104 52 HA ASP 30 HA ASP 30 0.115 5.004 -6.650 53 1HB ASP 30 1HB ASP 30 -2.251 4.685 -5.756 54 2HB ASP 30 2HB ASP 30 -2.515 6.385 -6.106 55 H SER 31 H SER 31 -1.248 8.037 -5.417 56 HA SER 31 HA SER 31 0.753 9.587 -6.770 57 1HB SER 31 1HB SER 31 -0.899 10.921 -8.103 58 2HB SER 31 2HB SER 31 -0.708 9.261 -8.667 59 HG SER 31 HG SER 31 -2.922 10.012 -8.487 60 H VAL 32 H VAL 32 0.221 11.981 -6.509 61 HA VAL 32 HA VAL 32 -1.189 12.457 -3.965 62 HB VAL 32 HB VAL 32 1.229 13.917 -5.076 63 1HG1 VAL 32 1HG1 VAL 32 -0.278 14.372 -2.498 64 2HG1 VAL 32 2HG1 VAL 32 -0.281 15.439 -3.902 65 3HG1 VAL 32 3HG1 VAL 32 1.205 15.187 -2.989 66 1HG2 VAL 32 1HG2 VAL 32 0.951 12.116 -2.671 67 2HG2 VAL 32 2HG2 VAL 32 2.392 13.036 -3.097 68 3HG2 VAL 32 3HG2 VAL 32 1.822 11.751 -4.161 69 H VAL 33 H VAL 33 -2.890 13.810 -4.133 70 HA VAL 33 HA VAL 33 -3.177 15.314 -6.637 71 HB VAL 33 HB VAL 33 -4.924 13.648 -6.345 72 1HG1 VAL 33 1HG1 VAL 33 -6.517 13.764 -4.482 73 2HG1 VAL 33 2HG1 VAL 33 -5.549 15.040 -3.743 74 3HG1 VAL 33 3HG1 VAL 33 -4.880 13.419 -3.926 75 1HG2 VAL 33 1HG2 VAL 33 -6.902 15.082 -6.498 76 2HG2 VAL 33 2HG2 VAL 33 -5.549 15.729 -7.426 77 3HG2 VAL 33 3HG2 VAL 33 -5.963 16.434 -5.865 78 HA PRO 34 HA PRO 34 -2.665 19.020 -4.249 79 1HB PRO 34 1HB PRO 34 -3.696 20.759 -6.098 80 2HB PRO 34 2HB PRO 34 -2.054 20.112 -6.161 81 1HG PRO 34 1HG PRO 34 -4.491 19.239 -7.653 82 2HG PRO 34 2HG PRO 34 -2.819 19.384 -8.221 83 1HD PRO 34 1HD PRO 34 -3.920 17.005 -7.573 84 2HD PRO 34 2HD PRO 34 -2.199 17.357 -7.316 85 H GLY 35 H GLY 35 -4.273 18.358 -2.704 86 1HA GLY 35 1HA GLY 35 -6.407 20.288 -2.608 87 2HA GLY 35 2HA GLY 35 -6.975 18.631 -2.758 88 H SER 36 H SER 36 -4.021 18.956 -1.129 89 HA SER 36 HA SER 36 -5.097 19.307 1.502 90 1HB SER 36 1HB SER 36 -4.037 16.612 0.682 91 2HB SER 36 2HB SER 36 -4.403 17.080 2.335 92 HG SER 36 HG SER 36 -6.511 17.594 0.752 93 HA PRO 37 HA PRO 37 -1.020 20.721 2.372 94 1HB PRO 37 1HB PRO 37 -0.895 19.179 4.877 95 2HB PRO 37 2HB PRO 37 -0.873 20.927 4.632 96 1HG PRO 37 1HG PRO 37 -3.009 19.656 5.668 97 2HG PRO 37 2HG PRO 37 -3.165 21.095 4.646 98 1HD PRO 37 1HD PRO 37 -3.621 18.226 3.965 99 2HD PRO 37 2HD PRO 37 -4.500 19.670 3.422 100 H ALA 38 H ALA 38 -1.629 17.358 2.286 101 HA ALA 38 HA ALA 38 0.947 16.341 2.839 102 1HB ALA 38 1HB ALA 38 -1.074 14.974 2.951 103 2HB ALA 38 2HB ALA 38 0.135 14.260 1.884 104 3HB ALA 38 3HB ALA 38 -1.258 15.101 1.202 105 H SER 39 H SER 39 -0.243 18.028 0.156 106 HA SER 39 HA SER 39 1.125 16.760 -1.958 107 1HB SER 39 1HB SER 39 -0.752 18.269 -2.363 108 2HB SER 39 2HB SER 39 0.170 19.624 -1.717 109 HG SER 39 HG SER 39 1.696 18.623 -3.555 110 H LYS 40 H LYS 40 2.299 18.639 0.599 111 HA LYS 40 HA LYS 40 4.863 18.959 -0.808 112 1HB LYS 40 1HB LYS 40 3.657 21.139 -0.524 113 2HB LYS 40 2HB LYS 40 3.721 20.899 1.216 114 1HG LYS 40 1HG LYS 40 6.104 21.063 1.221 115 2HG LYS 40 2HG LYS 40 6.157 21.056 -0.543 116 1HD LYS 40 1HD LYS 40 4.795 23.191 1.096 117 2HD LYS 40 2HD LYS 40 6.448 23.311 0.489 118 1HE LYS 40 1HE LYS 40 4.010 22.891 -1.235 119 2HE LYS 40 2HE LYS 40 4.776 24.453 -0.946 120 1HZ LYS 40 1HZ LYS 40 6.288 22.161 -2.060 121 2HZ LYS 40 2HZ LYS 40 6.682 23.810 -2.101 122 3HZ LYS 40 3HZ LYS 40 5.412 23.221 -3.054 123 H VAL 41 H VAL 41 3.740 16.873 0.987 124 HA VAL 41 HA VAL 41 5.794 17.037 3.095 125 HB VAL 41 HB VAL 41 3.134 15.614 3.343 126 1HG1 VAL 41 1HG1 VAL 41 3.779 15.338 5.699 127 2HG1 VAL 41 2HG1 VAL 41 5.344 16.070 5.349 128 3HG1 VAL 41 3HG1 VAL 41 4.904 14.531 4.609 129 1HG2 VAL 41 1HG2 VAL 41 4.081 18.186 4.609 130 2HG2 VAL 41 2HG2 VAL 41 2.577 17.348 4.995 131 3HG2 VAL 41 3HG2 VAL 41 2.823 18.025 3.384 132 H LEU 42 H LEU 42 3.780 14.694 1.279 133 HA LEU 42 HA LEU 42 6.022 12.795 1.450 134 1HB LEU 42 1HB LEU 42 3.106 12.223 0.917 135 2HB LEU 42 2HB LEU 42 4.377 11.024 1.000 136 HG LEU 42 HG LEU 42 4.697 11.970 3.436 137 1HD1 LEU 42 1HD1 LEU 42 2.594 12.674 4.449 138 2HD1 LEU 42 2HD1 LEU 42 1.821 12.667 2.864 139 3HD1 LEU 42 3HD1 LEU 42 3.119 13.813 3.207 140 1HD2 LEU 42 1HD2 LEU 42 3.108 10.282 4.248 141 2HD2 LEU 42 2HD2 LEU 42 4.080 9.681 2.905 142 3HD2 LEU 42 3HD2 LEU 42 2.410 10.174 2.632 143 H THR 43 H THR 43 6.272 11.352 -0.438 144 HA THR 43 HA THR 43 5.610 12.723 -2.952 145 HB THR 43 HB THR 43 7.641 11.440 -3.845 146 HG1 THR 43 HG1 THR 43 9.006 10.561 -2.413 147 1HG2 THR 43 1HG2 THR 43 7.669 13.846 -3.517 148 2HG2 THR 43 2HG2 THR 43 9.218 13.152 -3.033 149 3HG2 THR 43 3HG2 THR 43 8.041 13.628 -1.807 150 HA PRO 44 HA PRO 44 3.355 9.097 -4.046 151 1HB PRO 44 1HB PRO 44 3.311 9.361 -6.740 152 2HB PRO 44 2HB PRO 44 2.359 10.388 -5.662 153 1HG PRO 44 1HG PRO 44 4.952 10.969 -7.029 154 2HG PRO 44 2HG PRO 44 3.546 12.023 -6.794 155 1HD PRO 44 1HD PRO 44 5.796 12.150 -5.258 156 2HD PRO 44 2HD PRO 44 4.184 12.608 -4.671 157 H GLY 45 H GLY 45 3.621 7.010 -4.803 158 1HA GLY 45 1HA GLY 45 4.756 5.320 -6.042 159 2HA GLY 45 2HA GLY 45 6.172 6.358 -6.102 160 H LEU 46 H LEU 46 5.435 6.769 -3.049 161 HA LEU 46 HA LEU 46 7.367 4.845 -2.149 162 1HB LEU 46 1HB LEU 46 5.686 6.817 -0.607 163 2HB LEU 46 2HB LEU 46 6.967 5.844 0.086 164 HG LEU 46 HG LEU 46 7.296 7.996 -2.007 165 1HD1 LEU 46 1HD1 LEU 46 8.181 7.859 0.873 166 2HD1 LEU 46 2HD1 LEU 46 6.855 8.838 0.247 167 3HD1 LEU 46 3HD1 LEU 46 8.513 9.175 -0.253 168 1HD2 LEU 46 1HD2 LEU 46 8.876 6.160 -2.374 169 2HD2 LEU 46 2HD2 LEU 46 9.380 6.251 -0.687 170 3HD2 LEU 46 3HD2 LEU 46 9.699 7.600 -1.776 171 H VAL 47 H VAL 47 6.978 3.476 -0.225 172 HA VAL 47 HA VAL 47 4.320 2.224 -0.361 173 HB VAL 47 HB VAL 47 6.901 0.999 0.643 174 1HG1 VAL 47 1HG1 VAL 47 4.907 0.048 1.681 175 2HG1 VAL 47 2HG1 VAL 47 5.667 -1.111 0.588 176 3HG1 VAL 47 3HG1 VAL 47 4.213 -0.248 0.087 177 1HG2 VAL 47 1HG2 VAL 47 6.856 -0.332 -1.421 178 2HG2 VAL 47 2HG2 VAL 47 7.028 1.392 -1.752 179 3HG2 VAL 47 3HG2 VAL 47 5.469 0.599 -1.983 180 H ILE 48 H ILE 48 3.106 2.065 1.460 181 HA ILE 48 HA ILE 48 4.072 3.474 3.836 182 HB ILE 48 HB ILE 48 1.316 2.423 3.178 183 1HG1 ILE 48 1HG1 ILE 48 2.385 5.255 3.127 184 2HG1 ILE 48 2HG1 ILE 48 2.054 4.274 1.706 185 1HG2 ILE 48 1HG2 ILE 48 2.251 4.190 5.438 186 2HG2 ILE 48 2HG2 ILE 48 1.667 2.531 5.573 187 3HG2 ILE 48 3HG2 ILE 48 0.570 3.813 5.065 188 1HD1 ILE 48 1HD1 ILE 48 0.027 5.191 3.727 189 2HD1 ILE 48 2HD1 ILE 48 -0.314 4.209 2.302 190 3HD1 ILE 48 3HD1 ILE 48 0.271 5.864 2.116 191 H GLU 49 H GLU 49 4.889 2.373 5.508 192 HA GLU 49 HA GLU 49 4.488 -0.462 5.777 193 1HB GLU 49 1HB GLU 49 6.143 1.582 7.113 194 2HB GLU 49 2HB GLU 49 5.625 0.250 8.134 195 1HG GLU 49 1HG GLU 49 7.731 -0.347 7.286 196 2HG GLU 49 2HG GLU 49 6.552 -1.304 6.394 197 H SER 50 H SER 50 3.399 2.464 7.496 198 HA SER 50 HA SER 50 1.101 1.167 8.527 199 1HB SER 50 1HB SER 50 1.804 1.337 10.965 200 2HB SER 50 2HB SER 50 2.555 0.033 10.044 201 HG SER 50 HG SER 50 4.336 1.563 9.706 202 H ILE 51 H ILE 51 -0.170 2.518 9.940 203 HA ILE 51 HA ILE 51 0.723 5.315 10.010 204 HB ILE 51 HB ILE 51 -0.743 5.074 8.049 205 1HG1 ILE 51 1HG1 ILE 51 -1.857 6.684 10.344 206 2HG1 ILE 51 2HG1 ILE 51 -0.649 7.197 9.169 207 1HG2 ILE 51 1HG2 ILE 51 -2.869 4.292 10.034 208 2HG2 ILE 51 2HG2 ILE 51 -2.179 3.261 8.775 209 3HG2 ILE 51 3HG2 ILE 51 -3.139 4.676 8.333 210 1HD1 ILE 51 1HD1 ILE 51 -3.502 6.510 8.513 211 2HD1 ILE 51 2HD1 ILE 51 -2.285 7.136 7.400 212 3HD1 ILE 51 3HD1 ILE 51 -2.870 8.141 8.728 213 H ASN 52 H ASN 52 0.629 6.082 11.967 214 HA ASN 52 HA ASN 52 0.042 6.506 14.117 215 1HB ASN 52 1HB ASN 52 -2.630 5.741 12.960 216 2HB ASN 52 2HB ASN 52 -2.456 6.228 14.644 217 1HD2 ASN 52 1HD2 ASN 52 -2.181 8.346 15.137 218 2HD2 ASN 52 2HD2 ASN 52 -2.230 9.617 13.963 219 H GLY 53 H GLY 53 0.829 3.703 13.337 220 1HA GLY 53 1HA GLY 53 1.425 2.079 15.002 221 2HA GLY 53 2HA GLY 53 -0.073 2.449 15.843 222 H MET 54 H MET 54 -1.558 2.415 13.261 223 HA MET 54 HA MET 54 -1.908 -0.479 13.119 224 1HB MET 54 1HB MET 54 -3.554 1.786 11.970 225 2HB MET 54 2HB MET 54 -3.920 0.082 11.731 226 1HG MET 54 1HG MET 54 -5.325 0.782 13.456 227 2HG MET 54 2HG MET 54 -4.027 -0.104 14.251 228 1HE MET 54 1HE MET 54 -4.059 3.543 12.770 229 2HE MET 54 2HE MET 54 -4.431 4.491 14.211 230 3HE MET 54 3HE MET 54 -5.635 3.387 13.543 231 HA PRO 55 HA PRO 55 0.577 -0.236 9.413 232 1HB PRO 55 1HB PRO 55 1.032 -2.846 9.126 233 2HB PRO 55 2HB PRO 55 1.854 -1.889 10.355 234 1HG PRO 55 1HG PRO 55 -0.465 -3.749 10.641 235 2HG PRO 55 2HG PRO 55 0.911 -3.500 11.729 236 1HD PRO 55 1HD PRO 55 -1.594 -2.392 12.094 237 2HD PRO 55 2HD PRO 55 -0.094 -1.736 12.778 238 H THR 56 H THR 56 -0.138 -0.036 7.424 239 HA THR 56 HA THR 56 -2.663 -1.270 6.701 240 HB THR 56 HB THR 56 -2.452 0.230 4.670 241 HG1 THR 56 HG1 THR 56 -0.169 0.557 4.824 242 1HG2 THR 56 1HG2 THR 56 -3.833 0.823 6.603 243 2HG2 THR 56 2HG2 THR 56 -3.059 2.253 5.918 244 3HG2 THR 56 3HG2 THR 56 -2.426 1.530 7.396 245 H SER 57 H SER 57 -1.770 -3.412 6.504 246 HA SER 57 HA SER 57 0.116 -3.954 4.399 247 1HB SER 57 1HB SER 57 -1.642 -5.916 5.888 248 2HB SER 57 2HB SER 57 -0.146 -6.266 5.020 249 HG SER 57 HG SER 57 1.010 -5.157 6.565 250 H ASN 58 H ASN 58 -3.256 -3.504 4.626 251 HA ASN 58 HA ASN 58 -3.591 -4.430 1.867 252 1HB ASN 58 1HB ASN 58 -5.471 -5.116 4.147 253 2HB ASN 58 2HB ASN 58 -5.815 -5.400 2.445 254 1HD2 ASN 58 1HD2 ASN 58 -4.034 -6.413 5.220 255 2HD2 ASN 58 2HD2 ASN 58 -3.424 -7.888 4.552 256 H LEU 59 H LEU 59 -5.635 -3.538 0.917 257 HA LEU 59 HA LEU 59 -5.852 -0.773 1.436 258 1HB LEU 59 1HB LEU 59 -7.408 -2.698 -0.276 259 2HB LEU 59 2HB LEU 59 -7.787 -0.999 -0.193 260 HG LEU 59 HG LEU 59 -5.164 -2.148 -1.125 261 1HD1 LEU 59 1HD1 LEU 59 -5.846 -1.365 -3.333 262 2HD1 LEU 59 2HD1 LEU 59 -7.403 -0.859 -2.680 263 3HD1 LEU 59 3HD1 LEU 59 -6.972 -2.570 -2.703 264 1HD2 LEU 59 1HD2 LEU 59 -6.157 0.697 -1.093 265 2HD2 LEU 59 2HD2 LEU 59 -4.637 0.135 -1.789 266 3HD2 LEU 59 3HD2 LEU 59 -4.906 0.026 -0.050 267 H THR 60 H THR 60 -7.775 -3.588 2.274 268 HA THR 60 HA THR 60 -10.012 -2.305 3.378 269 HB THR 60 HB THR 60 -8.885 -4.837 4.543 270 HG1 THR 60 HG1 THR 60 -10.165 -4.610 1.992 271 1HG2 THR 60 1HG2 THR 60 -11.014 -3.988 5.398 272 2HG2 THR 60 2HG2 THR 60 -11.245 -5.506 4.529 273 3HG2 THR 60 3HG2 THR 60 -11.673 -3.976 3.764 274 H THR 61 H THR 61 -6.829 -3.069 4.698 275 HA THR 61 HA THR 61 -7.358 -2.411 7.386 276 HB THR 61 HB THR 61 -4.680 -1.957 6.238 277 HG1 THR 61 HG1 THR 61 -4.969 -4.578 6.755 278 1HG2 THR 61 1HG2 THR 61 -3.976 -3.124 8.276 279 2HG2 THR 61 2HG2 THR 61 -5.666 -3.400 8.693 280 3HG2 THR 61 3HG2 THR 61 -5.027 -1.758 8.643 281 H TYR 62 H TYR 62 -6.084 -0.555 4.662 282 HA TYR 62 HA TYR 62 -5.685 1.871 6.043 283 1HB TYR 62 1HB TYR 62 -4.808 1.239 3.741 284 2HB TYR 62 2HB TYR 62 -6.419 1.577 3.123 285 HD1 TYR 62 HD1 TYR 62 -7.294 3.920 3.181 286 HD2 TYR 62 HD2 TYR 62 -3.282 2.991 4.250 287 HE1 TYR 62 HE1 TYR 62 -6.678 6.285 2.903 288 HE2 TYR 62 HE2 TYR 62 -2.657 5.352 3.979 289 HH TYR 62 HH TYR 62 -4.847 7.839 3.806 290 H SER 63 H SER 63 -8.431 0.467 4.377 291 HA SER 63 HA SER 63 -10.188 2.613 4.442 292 1HB SER 63 1HB SER 63 -10.647 -0.346 4.521 293 2HB SER 63 2HB SER 63 -11.903 0.824 4.217 294 HG SER 63 HG SER 63 -9.620 0.266 2.641 295 H ALA 64 H ALA 64 -9.825 -0.085 6.715 296 HA ALA 64 HA ALA 64 -11.775 0.776 8.549 297 1HB ALA 64 1HB ALA 64 -9.343 -0.928 9.078 298 2HB ALA 64 2HB ALA 64 -10.904 -1.514 8.499 299 3HB ALA 64 3HB ALA 64 -10.768 -0.803 10.108 300 H ALA 65 H ALA 65 -8.389 1.559 8.176 301 HA ALA 65 HA ALA 65 -8.108 2.865 10.706 302 1HB ALA 65 1HB ALA 65 -6.168 1.958 9.538 303 2HB ALA 65 2HB ALA 65 -5.980 3.689 9.810 304 3HB ALA 65 3HB ALA 65 -6.420 3.092 8.210 305 H LEU 66 H LEU 66 -8.766 3.894 7.404 306 HA LEU 66 HA LEU 66 -8.699 6.661 7.736 307 1HB LEU 66 1HB LEU 66 -9.171 4.984 5.671 308 2HB LEU 66 2HB LEU 66 -10.800 5.537 5.981 309 HG LEU 66 HG LEU 66 -8.474 7.378 5.422 310 1HD1 LEU 66 1HD1 LEU 66 -10.657 6.414 3.579 311 2HD1 LEU 66 2HD1 LEU 66 -8.947 5.993 3.481 312 3HD1 LEU 66 3HD1 LEU 66 -9.463 7.657 3.202 313 1HD2 LEU 66 1HD2 LEU 66 -10.196 9.070 5.076 314 2HD2 LEU 66 2HD2 LEU 66 -10.281 8.410 6.709 315 3HD2 LEU 66 3HD2 LEU 66 -11.445 7.896 5.490 316 H LYS 67 H LYS 67 -11.276 4.330 8.314 317 HA LYS 67 HA LYS 67 -13.367 6.113 8.828 318 1HB LYS 67 1HB LYS 67 -12.861 3.372 9.984 319 2HB LYS 67 2HB LYS 67 -14.363 4.262 10.169 320 1HG LYS 67 1HG LYS 67 -14.550 4.308 7.683 321 2HG LYS 67 2HG LYS 67 -13.166 3.215 7.624 322 1HD LYS 67 1HD LYS 67 -14.388 1.580 8.961 323 2HD LYS 67 2HD LYS 67 -15.768 2.679 9.047 324 1HE LYS 67 1HE LYS 67 -15.887 2.603 6.554 325 2HE LYS 67 2HE LYS 67 -14.633 1.363 6.584 326 1HZ LYS 67 1HZ LYS 67 -16.112 -0.024 7.929 327 2HZ LYS 67 2HZ LYS 67 -16.816 0.364 6.435 328 3HZ LYS 67 3HZ LYS 67 -17.318 1.164 7.843 329 H THR 68 H THR 68 -10.852 4.890 10.998 330 HA THR 68 HA THR 68 -12.039 6.115 13.303 331 HB THR 68 HB THR 68 -9.822 5.538 14.400 332 HG1 THR 68 HG1 THR 68 -9.033 5.158 11.937 333 1HG2 THR 68 1HG2 THR 68 -11.795 4.162 14.668 334 2HG2 THR 68 2HG2 THR 68 -10.370 3.138 14.497 335 3HG2 THR 68 3HG2 THR 68 -11.469 3.352 13.135 336 H ILE 69 H ILE 69 -10.125 7.289 10.767 337 HA ILE 69 HA ILE 69 -8.685 9.285 12.245 338 HB ILE 69 HB ILE 69 -9.281 9.213 9.282 339 1HG1 ILE 69 1HG1 ILE 69 -8.143 7.167 9.914 340 2HG1 ILE 69 2HG1 ILE 69 -7.019 8.216 9.056 341 1HG2 ILE 69 1HG2 ILE 69 -8.551 11.395 10.095 342 2HG2 ILE 69 2HG2 ILE 69 -7.333 10.652 9.058 343 3HG2 ILE 69 3HG2 ILE 69 -7.121 10.652 10.808 344 1HD1 ILE 69 1HD1 ILE 69 -6.013 8.870 11.176 345 2HD1 ILE 69 2HD1 ILE 69 -5.968 7.121 10.952 346 3HD1 ILE 69 3HD1 ILE 69 -7.159 7.841 12.038 347 H SER 70 H SER 70 -9.172 11.459 12.491 348 HA SER 70 HA SER 70 -11.973 12.184 12.001 349 1HB SER 70 1HB SER 70 -10.020 13.690 13.732 350 2HB SER 70 2HB SER 70 -11.781 13.713 13.800 351 HG SER 70 HG SER 70 -9.964 11.832 14.775 352 H VAL 71 H VAL 71 -12.318 14.582 11.560 353 HA VAL 71 HA VAL 71 -10.753 15.352 9.253 354 HB VAL 71 HB VAL 71 -12.969 16.920 10.567 355 1HG1 VAL 71 1HG1 VAL 71 -11.689 18.158 8.935 356 2HG1 VAL 71 2HG1 VAL 71 -13.288 17.806 8.280 357 3HG1 VAL 71 3HG1 VAL 71 -11.889 16.867 7.754 358 1HG2 VAL 71 1HG2 VAL 71 -13.848 14.701 10.151 359 2HG2 VAL 71 2HG2 VAL 71 -13.215 14.728 8.507 360 3HG2 VAL 71 3HG2 VAL 71 -14.511 15.827 8.963 361 H GLY 72 H GLY 72 -9.002 16.626 9.351 362 1HA GLY 72 1HA GLY 72 -7.733 18.480 9.959 363 2HA GLY 72 2HA GLY 72 -8.921 18.860 11.198 364 H GLU 73 H GLU 73 -7.600 15.672 10.946 365 HA GLU 73 HA GLU 73 -6.183 16.114 13.482 366 1HB GLU 73 1HB GLU 73 -8.083 14.345 13.181 367 2HB GLU 73 2HB GLU 73 -6.827 13.412 12.385 368 1HG GLU 73 1HG GLU 73 -5.432 13.701 14.445 369 2HG GLU 73 2HG GLU 73 -6.860 14.382 15.221 370 H VAL 74 H VAL 74 -4.096 15.121 13.744 371 HA VAL 74 HA VAL 74 -2.628 15.052 11.214 372 HB VAL 74 HB VAL 74 -1.494 15.184 14.013 373 1HG1 VAL 74 1HG1 VAL 74 0.066 14.339 12.355 374 2HG1 VAL 74 2HG1 VAL 74 0.537 15.955 12.885 375 3HG1 VAL 74 3HG1 VAL 74 -0.253 15.732 11.322 376 1HG2 VAL 74 1HG2 VAL 74 -1.984 17.442 12.076 377 2HG2 VAL 74 2HG2 VAL 74 -1.180 17.568 13.642 378 3HG2 VAL 74 3HG2 VAL 74 -2.890 17.143 13.558 379 H ILE 75 H ILE 75 -2.280 13.124 10.369 380 HA ILE 75 HA ILE 75 -2.178 10.782 12.135 381 HB ILE 75 HB ILE 75 -2.628 9.431 10.174 382 1HG1 ILE 75 1HG1 ILE 75 -2.445 12.057 8.688 383 2HG1 ILE 75 2HG1 ILE 75 -1.479 10.611 8.440 384 1HG2 ILE 75 1HG2 ILE 75 -4.514 10.349 11.397 385 2HG2 ILE 75 2HG2 ILE 75 -4.893 10.224 9.680 386 3HG2 ILE 75 3HG2 ILE 75 -4.489 11.791 10.383 387 1HD1 ILE 75 1HD1 ILE 75 -3.423 9.445 7.575 388 2HD1 ILE 75 2HD1 ILE 75 -3.108 10.922 6.667 389 3HD1 ILE 75 3HD1 ILE 75 -4.415 10.876 7.851 390 H ASN 76 H ASN 76 -0.570 9.124 11.662 391 HA ASN 76 HA ASN 76 1.939 10.377 10.743 392 1HB ASN 76 1HB ASN 76 1.943 10.234 13.162 393 2HB ASN 76 2HB ASN 76 1.486 8.537 13.099 394 1HD2 ASN 76 1HD2 ASN 76 3.025 7.020 12.894 395 2HD2 ASN 76 2HD2 ASN 76 4.717 7.352 12.792 396 H ILE 77 H ILE 77 2.412 9.486 8.882 397 HA ILE 77 HA ILE 77 1.934 6.609 8.430 398 HB ILE 77 HB ILE 77 2.463 8.818 6.425 399 1HG1 ILE 77 1HG1 ILE 77 -0.107 7.362 7.078 400 2HG1 ILE 77 2HG1 ILE 77 0.265 9.020 7.525 401 1HG2 ILE 77 1HG2 ILE 77 1.848 7.164 4.738 402 2HG2 ILE 77 2HG2 ILE 77 1.698 5.937 5.996 403 3HG2 ILE 77 3HG2 ILE 77 3.268 6.662 5.655 404 1HD1 ILE 77 1HD1 ILE 77 0.329 9.669 5.192 405 2HD1 ILE 77 2HD1 ILE 77 -1.207 8.890 5.578 406 3HD1 ILE 77 3HD1 ILE 77 0.038 7.998 4.706 407 H THR 78 H THR 78 3.606 5.347 8.629 408 HA THR 78 HA THR 78 6.307 6.426 8.316 409 HB THR 78 HB THR 78 5.499 3.655 9.217 410 HG1 THR 78 HG1 THR 78 5.408 6.088 10.504 411 1HG2 THR 78 1HG2 THR 78 7.836 3.934 8.462 412 2HG2 THR 78 2HG2 THR 78 7.728 3.587 10.188 413 3HG2 THR 78 3HG2 THR 78 8.042 5.235 9.635 414 H THR 79 H THR 79 7.187 6.304 6.363 415 HA THR 79 HA THR 79 6.367 4.105 4.584 416 HB THR 79 HB THR 79 7.068 5.524 2.700 417 HG1 THR 79 HG1 THR 79 7.896 7.201 4.798 418 1HG2 THR 79 1HG2 THR 79 5.273 7.199 2.827 419 2HG2 THR 79 2HG2 THR 79 5.119 6.894 4.559 420 3HG2 THR 79 3HG2 THR 79 4.737 5.619 3.400 421 H ASP 80 H ASP 80 8.107 3.526 2.975 422 HA ASP 80 HA ASP 80 10.377 2.564 4.299 423 1HB ASP 80 1HB ASP 80 9.468 1.535 2.259 424 2HB ASP 80 2HB ASP 80 9.937 2.953 1.327 425 H GLN 81 H GLN 81 9.767 5.612 2.770 426 HA GLN 81 HA GLN 81 12.622 6.219 2.660 427 1HB GLN 81 1HB GLN 81 11.134 6.641 0.675 428 2HB GLN 81 2HB GLN 81 10.340 7.888 1.621 429 1HG GLN 81 1HG GLN 81 11.973 8.834 0.095 430 2HG GLN 81 2HG GLN 81 12.418 9.132 1.773 431 1HE2 GLN 81 1HE2 GLN 81 12.845 6.045 0.183 432 2HE2 GLN 81 2HE2 GLN 81 14.575 6.082 0.148 433 H GLY 82 H GLY 82 10.547 6.231 5.024 434 1HA GLY 82 1HA GLY 82 11.693 7.446 6.969 435 2HA GLY 82 2HA GLY 82 11.324 8.889 6.040 436 H THR 83 H THR 83 10.407 8.999 8.448 437 HA THR 83 HA THR 83 7.619 8.047 8.440 438 HB THR 83 HB THR 83 9.180 9.178 10.773 439 HG1 THR 83 HG1 THR 83 10.144 7.226 10.012 440 1HG2 THR 83 1HG2 THR 83 6.751 9.260 11.026 441 2HG2 THR 83 2HG2 THR 83 7.448 8.061 12.115 442 3HG2 THR 83 3HG2 THR 83 6.641 7.544 10.633 443 H PHE 84 H PHE 84 6.104 9.516 7.926 444 HA PHE 84 HA PHE 84 6.666 12.351 8.502 445 1HB PHE 84 1HB PHE 84 5.171 11.328 6.085 446 2HB PHE 84 2HB PHE 84 5.562 13.001 6.448 447 HD1 PHE 84 HD1 PHE 84 7.958 13.732 6.400 448 HD2 PHE 84 HD2 PHE 84 6.698 9.935 4.949 449 HE1 PHE 84 HE1 PHE 84 10.057 13.526 5.133 450 HE2 PHE 84 HE2 PHE 84 8.795 9.720 3.679 451 HZ PHE 84 HZ PHE 84 10.478 11.515 3.768 452 H HIS 85 H HIS 85 4.831 13.626 9.013 453 HA HIS 85 HA HIS 85 2.351 12.142 9.410 454 1HB HIS 85 1HB HIS 85 1.977 13.219 11.560 455 2HB HIS 85 2HB HIS 85 3.421 12.235 11.587 456 HD1 HIS 85 HD1 HIS 85 2.736 14.551 13.586 457 HD2 HIS 85 HD2 HIS 85 5.300 14.843 10.325 458 HE1 HIS 85 HE1 HIS 85 4.304 16.444 14.122 459 HE2 HIS 85 HE2 HIS 85 5.737 16.717 12.061 460 H LEU 86 H LEU 86 0.570 13.143 8.826 461 HA LEU 86 HA LEU 86 0.808 15.907 7.879 462 1HB LEU 86 1HB LEU 86 -0.616 15.239 5.963 463 2HB LEU 86 2HB LEU 86 0.981 14.538 5.939 464 HG LEU 86 HG LEU 86 -1.342 12.983 7.036 465 1HD1 LEU 86 1HD1 LEU 86 -2.016 13.789 4.818 466 2HD1 LEU 86 2HD1 LEU 86 -1.729 12.048 4.829 467 3HD1 LEU 86 3HD1 LEU 86 -0.527 13.137 4.138 468 1HD2 LEU 86 1HD2 LEU 86 0.963 12.166 7.363 469 2HD2 LEU 86 2HD2 LEU 86 1.183 12.157 5.612 470 3HD2 LEU 86 3HD2 LEU 86 -0.005 11.088 6.357 471 H LYS 87 H LYS 87 -1.207 17.031 7.662 472 HA LYS 87 HA LYS 87 -3.184 16.142 9.635 473 1HB LYS 87 1HB LYS 87 -2.146 18.405 9.873 474 2HB LYS 87 2HB LYS 87 -2.869 18.860 8.338 475 1HG LYS 87 1HG LYS 87 -5.102 18.448 9.313 476 2HG LYS 87 2HG LYS 87 -4.330 18.111 10.862 477 1HD LYS 87 1HD LYS 87 -4.184 20.711 9.335 478 2HD LYS 87 2HD LYS 87 -5.151 20.406 10.780 479 1HE LYS 87 1HE LYS 87 -3.090 19.961 12.045 480 2HE LYS 87 2HE LYS 87 -2.138 20.306 10.600 481 1HZ LYS 87 1HZ LYS 87 -3.076 22.559 10.603 482 2HZ LYS 87 2HZ LYS 87 -2.201 22.230 12.017 483 3HZ LYS 87 3HZ LYS 87 -3.898 22.212 12.047 484 H THR 88 H THR 88 -5.184 15.520 9.032 485 HA THR 88 HA THR 88 -5.797 15.196 6.265 486 HB THR 88 HB THR 88 -8.028 14.407 7.119 487 HG1 THR 88 HG1 THR 88 -7.996 14.049 9.491 488 1HG2 THR 88 1HG2 THR 88 -6.158 12.870 6.758 489 2HG2 THR 88 2HG2 THR 88 -7.132 12.376 8.142 490 3HG2 THR 88 3HG2 THR 88 -5.584 13.181 8.397 491 H GLY 89 H GLY 89 -6.973 16.434 4.931 492 1HA GLY 89 1HA GLY 89 -7.804 19.033 5.966 493 2HA GLY 89 2HA GLY 89 -7.571 18.615 4.275 494 H ARG 90 H ARG 90 -9.637 19.798 4.148 495 HA ARG 90 HA ARG 90 -11.798 17.887 4.010 496 1HB ARG 90 1HB ARG 90 -13.419 19.371 5.202 497 2HB ARG 90 2HB ARG 90 -12.215 18.644 6.250 498 1HG ARG 90 1HG ARG 90 -11.889 21.425 5.178 499 2HG ARG 90 2HG ARG 90 -12.826 21.090 6.634 500 1HD ARG 90 1HD ARG 90 -10.859 20.023 7.636 501 2HD ARG 90 2HD ARG 90 -9.928 20.392 6.185 502 HE ARG 90 HE ARG 90 -10.736 22.825 6.886 503 1HH1 ARG 90 1HH1 ARG 90 -9.386 20.235 8.822 504 2HH1 ARG 90 2HH1 ARG 90 -8.720 21.299 10.023 505 1HH2 ARG 90 1HH2 ARG 90 -9.822 24.228 8.428 506 2HH2 ARG 90 2HH2 ARG 90 -8.934 23.584 9.778 507 H ASN 91 H ASN 91 -12.640 18.149 2.078 508 HA ASN 91 HA ASN 91 -11.972 20.517 0.552 509 1HB ASN 91 1HB ASN 91 -11.875 18.079 -0.276 510 2HB ASN 91 2HB ASN 91 -13.623 18.199 -0.424 511 1HD2 ASN 91 1HD2 ASN 91 -13.740 18.050 -2.613 512 2HD2 ASN 91 2HD2 ASN 91 -13.114 19.247 -3.689 513 HA PRO 92 HA PRO 92 -15.766 22.919 0.801 514 1HB PRO 92 1HB PRO 92 -15.253 22.769 -2.144 515 2HB PRO 92 2HB PRO 92 -15.719 24.147 -1.160 516 1HG PRO 92 1HG PRO 92 -13.176 23.748 -1.943 517 2HG PRO 92 2HG PRO 92 -13.590 24.518 -0.403 518 1HD PRO 92 1HD PRO 92 -12.398 21.897 -0.901 519 2HD PRO 92 2HD PRO 92 -12.496 22.821 0.609 520 H ASN 93 H ASN 93 -17.916 22.766 0.204 521 HA ASN 93 HA ASN 93 -19.902 21.813 -0.360 522 1HB ASN 93 1HB ASN 93 -18.722 21.733 -2.641 523 2HB ASN 93 2HB ASN 93 -18.420 20.035 -2.299 524 1HD2 ASN 93 1HD2 ASN 93 -20.828 22.433 -3.028 525 2HD2 ASN 93 2HD2 ASN 93 -22.107 21.326 -3.398 526 H ASN 94 H ASN 94 -17.819 20.550 1.507 527 HA ASN 94 HA ASN 94 -17.585 18.774 2.886 528 1HB ASN 94 1HB ASN 94 -20.011 19.317 3.323 529 2HB ASN 94 2HB ASN 94 -20.437 18.067 2.160 530 1HD2 ASN 94 1HD2 ASN 94 -20.969 18.330 5.054 531 2HD2 ASN 94 2HD2 ASN 94 -20.371 16.866 5.766 532 H SER 95 H SER 95 -16.110 18.076 1.166 533 HA SER 95 HA SER 95 -17.052 15.716 -0.286 534 1HB SER 95 1HB SER 95 -15.855 17.456 -1.573 535 2HB SER 95 2HB SER 95 -14.445 17.240 -0.541 536 HG SER 95 HG SER 95 -15.604 15.197 -2.141 537 H SER 96 H SER 96 -17.173 14.340 1.487 538 HA SER 96 HA SER 96 -16.459 12.577 2.700 539 1HB SER 96 1HB SER 96 -14.906 12.239 0.732 540 2HB SER 96 2HB SER 96 -13.673 13.101 1.649 541 HG SER 96 HG SER 96 -13.285 11.300 2.638 542 H ARG 97 H ARG 97 -14.848 11.965 4.471 543 HA ARG 97 HA ARG 97 -14.137 14.365 6.023 544 1HB ARG 97 1HB ARG 97 -14.390 12.834 8.040 545 2HB ARG 97 2HB ARG 97 -15.879 13.286 7.223 546 1HG ARG 97 1HG ARG 97 -16.033 11.151 6.168 547 2HG ARG 97 2HG ARG 97 -14.424 10.701 6.733 548 1HD ARG 97 1HD ARG 97 -16.325 9.696 8.019 549 2HD ARG 97 2HD ARG 97 -15.156 10.591 8.987 550 HE ARG 97 HE ARG 97 -16.745 12.334 9.254 551 1HH1 ARG 97 1HH1 ARG 97 -18.039 9.583 7.494 552 2HH1 ARG 97 2HH1 ARG 97 -19.692 9.950 7.910 553 1HH2 ARG 97 1HH2 ARG 97 -18.904 12.808 9.771 554 2HH2 ARG 97 2HH2 ARG 97 -20.180 11.773 9.200 555 H ALA 98 H ALA 98 -12.174 14.342 7.127 556 HA ALA 98 HA ALA 98 -9.938 14.032 7.265 557 1HB ALA 98 1HB ALA 98 -10.618 12.071 8.557 558 2HB ALA 98 2HB ALA 98 -9.136 11.756 7.650 559 3HB ALA 98 3HB ALA 98 -10.677 11.109 7.079 560 H TYR 99 H TYR 99 -9.810 15.074 5.152 561 HA TYR 99 HA TYR 99 -9.969 13.544 2.763 562 1HB TYR 99 1HB TYR 99 -10.150 16.201 3.338 563 2HB TYR 99 2HB TYR 99 -8.549 16.119 2.614 564 HD1 TYR 99 HD1 TYR 99 -11.297 13.869 1.641 565 HD2 TYR 99 HD2 TYR 99 -9.124 17.396 0.668 566 HE1 TYR 99 HE1 TYR 99 -12.360 13.907 -0.575 567 HE2 TYR 99 HE2 TYR 99 -10.190 17.450 -1.550 568 HH TYR 99 HH TYR 99 -12.895 15.577 -2.319 569 H MET 100 H MET 100 -8.522 12.053 2.308 570 HA MET 100 HA MET 100 -5.705 12.397 2.844 571 1HB MET 100 1HB MET 100 -7.142 10.273 1.224 572 2HB MET 100 2HB MET 100 -5.461 10.214 1.730 573 1HG MET 100 1HG MET 100 -7.804 10.277 3.613 574 2HG MET 100 2HG MET 100 -6.978 8.811 3.093 575 1HE MET 100 1HE MET 100 -5.865 9.260 6.840 576 2HE MET 100 2HE MET 100 -6.665 8.205 5.674 577 3HE MET 100 3HE MET 100 -7.427 9.719 6.160 578 H GLY 101 H GLY 101 -4.559 13.735 1.589 579 1HA GLY 101 1HA GLY 101 -5.579 14.559 -0.980 580 2HA GLY 101 2HA GLY 101 -4.152 15.186 -0.176 581 H ILE 102 H ILE 102 -4.668 11.793 -0.768 582 HA ILE 102 HA ILE 102 -2.923 11.762 -3.097 583 HB ILE 102 HB ILE 102 -1.411 10.084 -2.182 584 1HG1 ILE 102 1HG1 ILE 102 -2.798 10.563 0.468 585 2HG1 ILE 102 2HG1 ILE 102 -3.011 9.132 -0.536 586 1HG2 ILE 102 1HG2 ILE 102 -1.497 12.510 -0.396 587 2HG2 ILE 102 2HG2 ILE 102 -0.752 12.429 -1.991 588 3HG2 ILE 102 3HG2 ILE 102 -0.103 11.463 -0.666 589 1HD1 ILE 102 1HD1 ILE 102 -0.646 8.604 -0.254 590 2HD1 ILE 102 2HD1 ILE 102 -1.492 8.693 1.291 591 3HD1 ILE 102 3HD1 ILE 102 -0.454 10.024 0.773 592 H ARG 103 H ARG 103 -2.703 9.429 -3.849 593 HA ARG 103 HA ARG 103 -5.199 7.962 -3.296 594 1HB ARG 103 1HB ARG 103 -3.355 7.715 -5.685 595 2HB ARG 103 2HB ARG 103 -4.871 6.862 -5.455 596 1HG ARG 103 1HG ARG 103 -6.005 9.107 -5.434 597 2HG ARG 103 2HG ARG 103 -4.462 9.795 -5.948 598 1HD ARG 103 1HD ARG 103 -4.521 8.091 -7.843 599 2HD ARG 103 2HD ARG 103 -6.207 7.824 -7.405 600 HE ARG 103 HE ARG 103 -5.067 10.301 -8.507 601 1HH1 ARG 103 1HH1 ARG 103 -7.855 8.416 -7.567 602 2HH1 ARG 103 2HH1 ARG 103 -8.983 9.391 -8.452 603 1HH2 ARG 103 1HH2 ARG 103 -6.532 11.605 -9.667 604 2HH2 ARG 103 2HH2 ARG 103 -8.228 11.223 -9.639 605 H THR 104 H THR 104 -5.043 5.954 -2.439 606 HA THR 104 HA THR 104 -2.357 4.786 -2.194 607 HB THR 104 HB THR 104 -3.477 3.644 -0.111 608 HG1 THR 104 HG1 THR 104 -4.808 5.878 0.519 609 1HG2 THR 104 1HG2 THR 104 -1.538 5.135 -0.011 610 2HG2 THR 104 2HG2 THR 104 -2.656 5.468 1.312 611 3HG2 THR 104 3HG2 THR 104 -2.607 6.537 -0.088 612 H SER 105 H SER 105 -2.095 2.886 -3.114 613 HA SER 105 HA SER 105 -4.342 1.037 -3.365 614 1HB SER 105 1HB SER 105 -2.686 1.918 -5.747 615 2HB SER 105 2HB SER 105 -3.934 0.677 -5.761 616 HG SER 105 HG SER 105 -4.757 2.637 -6.530 617 H ASN 106 H ASN 106 -3.596 -1.127 -4.020 618 HA ASN 106 HA ASN 106 -1.026 -1.843 -2.967 619 1HB ASN 106 1HB ASN 106 -3.113 -3.510 -4.400 620 2HB ASN 106 2HB ASN 106 -1.652 -4.156 -3.664 621 1HD2 ASN 106 1HD2 ASN 106 -4.412 -4.770 -3.081 622 2HD2 ASN 106 2HD2 ASN 106 -4.651 -4.403 -1.414 623 H HIS 107 H HIS 107 -0.466 -0.105 -4.750 624 HA HIS 107 HA HIS 107 -0.178 -1.062 -7.437 625 1HB HIS 107 1HB HIS 107 -0.600 1.320 -6.765 626 2HB HIS 107 2HB HIS 107 1.041 1.388 -6.143 627 HD1 HIS 107 HD1 HIS 107 2.828 2.040 -7.768 628 HD2 HIS 107 HD2 HIS 107 -0.707 0.929 -9.664 629 HE1 HIS 107 HE1 HIS 107 3.147 2.620 -10.197 630 HE2 HIS 107 HE2 HIS 107 1.041 1.838 -11.343 631 H LEU 108 H LEU 108 1.136 -2.722 -5.523 632 HA LEU 108 HA LEU 108 3.968 -2.238 -5.686 633 1HB LEU 108 1HB LEU 108 2.441 -4.684 -4.780 634 2HB LEU 108 2HB LEU 108 4.174 -4.472 -4.638 635 HG LEU 108 HG LEU 108 3.549 -2.370 -3.236 636 1HD1 LEU 108 1HD1 LEU 108 1.466 -2.603 -1.991 637 2HD1 LEU 108 2HD1 LEU 108 1.021 -3.982 -2.997 638 3HD1 LEU 108 3HD1 LEU 108 1.169 -2.378 -3.715 639 1HD2 LEU 108 1HD2 LEU 108 4.679 -4.360 -2.371 640 2HD2 LEU 108 2HD2 LEU 108 3.118 -5.156 -2.166 641 3HD2 LEU 108 3HD2 LEU 108 3.512 -3.726 -1.211 642 H ARG 109 H ARG 109 5.430 -3.934 -6.578 643 HA ARG 109 HA ARG 109 4.238 -5.315 -8.873 644 1HB ARG 109 1HB ARG 109 6.409 -4.841 -10.119 645 2HB ARG 109 2HB ARG 109 5.277 -3.513 -9.955 646 1HG ARG 109 1HG ARG 109 7.407 -2.595 -9.598 647 2HG ARG 109 2HG ARG 109 6.680 -2.728 -8.000 648 1HD ARG 109 1HD ARG 109 7.992 -4.650 -7.481 649 2HD ARG 109 2HD ARG 109 8.547 -4.794 -9.147 650 HE ARG 109 HE ARG 109 9.891 -2.823 -8.815 651 1HH1 ARG 109 1HH1 ARG 109 8.446 -4.117 -5.894 652 2HH1 ARG 109 2HH1 ARG 109 9.650 -3.438 -4.844 653 1HH2 ARG 109 1HH2 ARG 109 11.488 -1.951 -7.436 654 2HH2 ARG 109 2HH2 ARG 109 11.383 -2.220 -5.716 655 H VAL 110 H VAL 110 5.259 -7.283 -9.477 656 HA VAL 110 HA VAL 110 6.617 -8.502 -7.213 657 HB VAL 110 HB VAL 110 4.786 -9.794 -7.932 658 1HG1 VAL 110 1HG1 VAL 110 5.920 -9.720 -10.722 659 2HG1 VAL 110 2HG1 VAL 110 4.482 -8.867 -10.161 660 3HG1 VAL 110 3HG1 VAL 110 4.497 -10.630 -10.216 661 1HG2 VAL 110 1HG2 VAL 110 6.773 -11.081 -7.344 662 2HG2 VAL 110 2HG2 VAL 110 7.275 -11.079 -9.034 663 3HG2 VAL 110 3HG2 VAL 110 5.802 -11.920 -8.553 664 H ARG 111 H ARG 111 8.634 -8.672 -7.116 665 HA ARG 111 HA ARG 111 10.243 -9.095 -9.542 666 1HB ARG 111 1HB ARG 111 10.588 -6.797 -8.858 667 2HB ARG 111 2HB ARG 111 10.859 -7.287 -7.194 668 1HG ARG 111 1HG ARG 111 12.681 -8.428 -9.217 669 2HG ARG 111 2HG ARG 111 12.827 -6.699 -8.894 670 1HD ARG 111 1HD ARG 111 13.044 -7.207 -6.487 671 2HD ARG 111 2HD ARG 111 12.990 -8.928 -6.869 672 HE ARG 111 HE ARG 111 15.041 -8.305 -8.328 673 1HH1 ARG 111 1HH1 ARG 111 14.255 -6.926 -5.201 674 2HH1 ARG 111 2HH1 ARG 111 15.918 -6.615 -4.788 675 1HH2 ARG 111 1HH2 ARG 111 17.212 -7.917 -7.775 676 2HH2 ARG 111 2HH2 ARG 111 17.589 -7.193 -6.241 677 H ASP 112 H ASP 112 9.586 -9.688 -6.223 678 HA ASP 112 HA ASP 112 11.750 -11.547 -5.835 679 1HB ASP 112 1HB ASP 112 10.808 -10.183 -3.971 680 2HB ASP 112 2HB ASP 112 9.285 -11.047 -4.140 681 H SER 113 H SER 113 11.636 -13.260 -7.106 682 HA SER 113 HA SER 113 9.242 -14.339 -8.144 683 1HB SER 113 1HB SER 113 11.302 -14.505 -9.393 684 2HB SER 113 2HB SER 113 12.070 -15.413 -8.092 685 HG SER 113 HG SER 113 9.952 -16.247 -9.798 686 H VAL 114 H VAL 114 7.837 -15.055 -6.612 687 HA VAL 114 HA VAL 114 8.724 -17.291 -4.925 688 HB VAL 114 HB VAL 114 6.553 -16.921 -3.705 689 1HG1 VAL 114 1HG1 VAL 114 8.697 -16.090 -2.856 690 2HG1 VAL 114 2HG1 VAL 114 7.362 -15.021 -2.424 691 3HG1 VAL 114 3HG1 VAL 114 8.452 -14.584 -3.737 692 1HG2 VAL 114 1HG2 VAL 114 5.416 -14.781 -3.975 693 2HG2 VAL 114 2HG2 VAL 114 5.365 -15.714 -5.471 694 3HG2 VAL 114 3HG2 VAL 114 6.493 -14.369 -5.309 695 H ALA 115 H ALA 115 7.486 -19.211 -4.895 696 HA ALA 115 HA ALA 115 5.473 -19.498 -6.999 697 1HB ALA 115 1HB ALA 115 7.832 -21.345 -6.646 698 2HB ALA 115 2HB ALA 115 7.580 -20.225 -7.984 699 3HB ALA 115 3HB ALA 115 6.489 -21.592 -7.759 700 H SER 116 H SER 116 3.781 -19.827 -5.668 701 HA SER 116 HA SER 116 3.987 -22.068 -3.775 702 1HB SER 116 1HB SER 116 3.453 -19.931 -2.678 703 2HB SER 116 2HB SER 116 2.076 -19.713 -3.755 704 HG SER 116 HG SER 116 1.504 -21.944 -2.802 705 H VAL 117 H VAL 117 3.337 -21.826 -6.735 706 HA VAL 117 HA VAL 117 0.673 -23.047 -6.709 707 HB VAL 117 HB VAL 117 0.752 -21.192 -8.219 708 1HG1 VAL 117 1HG1 VAL 117 3.129 -22.509 -9.514 709 2HG1 VAL 117 2HG1 VAL 117 3.143 -21.024 -8.561 710 3HG1 VAL 117 3HG1 VAL 117 2.301 -21.069 -10.111 711 1HG2 VAL 117 1HG2 VAL 117 0.891 -23.763 -9.790 712 2HG2 VAL 117 2HG2 VAL 117 0.161 -22.253 -10.338 713 3HG2 VAL 117 3HG2 VAL 117 -0.532 -23.122 -8.969 714 H LEU 118 H LEU 118 0.656 -25.171 -6.625 715 HA LEU 118 HA LEU 118 2.925 -26.714 -7.556 716 1HB LEU 118 1HB LEU 118 0.344 -27.601 -6.264 717 2HB LEU 118 2HB LEU 118 1.705 -28.643 -6.618 718 HG LEU 118 HG LEU 118 1.883 -28.221 -4.331 719 1HD1 LEU 118 1HD1 LEU 118 3.667 -26.188 -5.654 720 2HD1 LEU 118 2HD1 LEU 118 4.007 -27.909 -5.479 721 3HD1 LEU 118 3HD1 LEU 118 3.904 -26.881 -4.050 722 1HD2 LEU 118 1HD2 LEU 118 1.369 -25.302 -4.872 723 2HD2 LEU 118 2HD2 LEU 118 1.711 -26.011 -3.294 724 3HD2 LEU 118 3HD2 LEU 118 0.233 -26.443 -4.154 725 H GLY 119 H GLY 119 -0.365 -26.018 -8.449 726 1HA GLY 119 1HA GLY 119 -0.769 -26.150 -10.907 727 2HA GLY 119 2HA GLY 119 -0.066 -27.761 -10.816 728 H ASP 120 H ASP 120 -2.698 -27.044 -11.767 729 HA ASP 120 HA ASP 120 -4.397 -28.234 -9.688 730 1HB ASP 120 1HB ASP 120 -6.304 -27.326 -10.865 731 2HB ASP 120 2HB ASP 120 -5.135 -26.041 -10.603 732 H THR 121 H THR 121 -6.196 -29.630 -10.622 733 HA THR 121 HA THR 121 -4.931 -31.791 -12.004 734 HB THR 121 HB THR 121 -7.262 -32.816 -11.842 735 HG1 THR 121 HG1 THR 121 -8.049 -30.440 -11.382 736 1HG2 THR 121 1HG2 THR 121 -7.009 -33.260 -9.440 737 2HG2 THR 121 2HG2 THR 121 -5.870 -31.921 -9.316 738 3HG2 THR 121 3HG2 THR 121 -5.459 -33.340 -10.278 739 H LEU 122 H LEU 122 -4.614 -31.712 -14.108 740 HA LEU 122 HA LEU 122 -6.630 -30.447 -15.810 741 1HB LEU 122 1HB LEU 122 -3.737 -31.133 -16.330 742 2HB LEU 122 2HB LEU 122 -4.812 -30.391 -17.506 743 HG LEU 122 HG LEU 122 -4.210 -29.132 -14.832 744 1HD1 LEU 122 1HD1 LEU 122 -2.125 -29.366 -16.068 745 2HD1 LEU 122 2HD1 LEU 122 -2.641 -27.682 -15.971 746 3HD1 LEU 122 3HD1 LEU 122 -2.866 -28.589 -17.469 747 1HD2 LEU 122 1HD2 LEU 122 -6.253 -28.389 -15.928 748 2HD2 LEU 122 2HD2 LEU 122 -5.340 -28.027 -17.396 749 3HD2 LEU 122 3HD2 LEU 122 -5.034 -27.113 -15.918 750 HA PRO 123 HA PRO 123 -7.995 -34.455 -16.953 751 1HB PRO 123 1HB PRO 123 -9.249 -33.283 -19.311 752 2HB PRO 123 2HB PRO 123 -9.998 -33.959 -17.861 753 1HG PRO 123 1HG PRO 123 -10.023 -31.311 -18.435 754 2HG PRO 123 2HG PRO 123 -10.017 -31.938 -16.777 755 1HD PRO 123 1HD PRO 123 -7.756 -30.833 -18.399 756 2HD PRO 123 2HD PRO 123 -8.142 -30.588 -16.684 757 H PHE 124 H PHE 124 -7.403 -36.125 -18.149 758 HA PHE 124 HA PHE 124 -6.034 -35.623 -20.712 759 1HB PHE 124 1HB PHE 124 -4.603 -37.551 -20.301 760 2HB PHE 124 2HB PHE 124 -4.444 -36.408 -18.974 761 HD1 PHE 124 HD1 PHE 124 -5.434 -36.924 -16.779 762 HD2 PHE 124 HD2 PHE 124 -5.474 -39.739 -19.968 763 HE1 PHE 124 HE1 PHE 124 -5.920 -38.728 -15.177 764 HE2 PHE 124 HE2 PHE 124 -5.967 -41.548 -18.376 765 HZ PHE 124 HZ PHE 124 -6.189 -41.039 -15.976 766 H ALA 125 H ALA 125 -6.202 -37.504 -22.228 767 HA ALA 125 HA ALA 125 -8.887 -38.686 -22.000 768 1HB ALA 125 1HB ALA 125 -8.588 -37.191 -23.913 769 2HB ALA 125 2HB ALA 125 -8.864 -38.854 -24.438 770 3HB ALA 125 3HB ALA 125 -7.237 -38.172 -24.471 Start of MODEL 15 1 H GLN 23 H GLN 23 0.518 -11.955 0.906 2 HA GLN 23 HA GLN 23 0.387 -11.196 -1.910 3 1HB GLN 23 1HB GLN 23 -2.042 -11.846 -0.227 4 2HB GLN 23 2HB GLN 23 -2.109 -11.018 -1.778 5 1HG GLN 23 1HG GLN 23 -1.080 -12.972 -2.848 6 2HG GLN 23 2HG GLN 23 -1.067 -13.799 -1.292 7 1HE2 GLN 23 1HE2 GLN 23 -2.345 -15.455 -2.025 8 2HE2 GLN 23 2HE2 GLN 23 -4.034 -15.265 -2.357 9 HA PRO 24 HA PRO 24 -0.732 -7.396 0.612 10 1HB PRO 24 1HB PRO 24 -1.711 -7.530 3.115 11 2HB PRO 24 2HB PRO 24 -2.735 -7.769 1.697 12 1HG PRO 24 1HG PRO 24 -1.750 -9.735 3.654 13 2HG PRO 24 2HG PRO 24 -3.170 -9.807 2.601 14 1HD PRO 24 1HD PRO 24 -0.620 -11.054 2.209 15 2HD PRO 24 2HD PRO 24 -2.029 -11.092 1.132 16 H ASP 25 H ASP 25 0.348 -5.962 2.142 17 HA ASP 25 HA ASP 25 2.166 -6.855 4.098 18 1HB ASP 25 1HB ASP 25 3.308 -7.896 2.162 19 2HB ASP 25 2HB ASP 25 3.466 -6.308 1.422 20 H GLY 26 H GLY 26 1.233 -4.478 1.744 21 1HA GLY 26 1HA GLY 26 1.152 -2.344 3.484 22 2HA GLY 26 2HA GLY 26 2.760 -2.324 2.775 23 H VAL 27 H VAL 27 0.113 -0.713 2.527 24 HA VAL 27 HA VAL 27 -0.540 -0.924 -0.263 25 HB VAL 27 HB VAL 27 -1.850 1.170 0.132 26 1HG1 VAL 27 1HG1 VAL 27 -3.508 0.135 1.617 27 2HG1 VAL 27 2HG1 VAL 27 -2.313 -1.068 2.101 28 3HG1 VAL 27 3HG1 VAL 27 -2.883 -1.013 0.433 29 1HG2 VAL 27 1HG2 VAL 27 -0.467 2.187 1.851 30 2HG2 VAL 27 2HG2 VAL 27 -0.827 0.857 2.953 31 3HG2 VAL 27 3HG2 VAL 27 -2.110 1.957 2.451 32 H GLN 28 H GLN 28 -0.170 0.747 -1.863 33 HA GLN 28 HA GLN 28 2.285 2.271 -1.247 34 1HB GLN 28 1HB GLN 28 2.731 0.499 -2.853 35 2HB GLN 28 2HB GLN 28 1.437 1.081 -3.892 36 1HG GLN 28 1HG GLN 28 2.633 3.019 -4.473 37 2HG GLN 28 2HG GLN 28 3.783 2.799 -3.157 38 1HE2 GLN 28 1HE2 GLN 28 5.414 1.294 -3.368 39 2HE2 GLN 28 2HE2 GLN 28 5.878 0.641 -4.901 40 H ILE 29 H ILE 29 2.520 4.337 -2.079 41 HA ILE 29 HA ILE 29 0.049 5.796 -2.410 42 HB ILE 29 HB ILE 29 2.904 6.773 -2.574 43 1HG1 ILE 29 1HG1 ILE 29 0.929 6.904 -0.282 44 2HG1 ILE 29 2HG1 ILE 29 2.309 5.813 -0.372 45 1HG2 ILE 29 1HG2 ILE 29 1.958 9.000 -2.248 46 2HG2 ILE 29 2HG2 ILE 29 0.332 8.318 -2.269 47 3HG2 ILE 29 3HG2 ILE 29 1.337 8.251 -3.719 48 1HD1 ILE 29 1HD1 ILE 29 2.772 7.715 1.062 49 2HD1 ILE 29 2HD1 ILE 29 2.442 8.819 -0.274 50 3HD1 ILE 29 3HD1 ILE 29 3.823 7.724 -0.355 51 H ASP 30 H ASP 30 -0.921 5.920 -4.295 52 HA ASP 30 HA ASP 30 0.320 5.191 -6.755 53 1HB ASP 30 1HB ASP 30 -2.082 4.834 -6.287 54 2HB ASP 30 2HB ASP 30 -2.328 6.571 -6.255 55 H SER 31 H SER 31 -1.311 8.218 -5.890 56 HA SER 31 HA SER 31 0.904 9.820 -6.776 57 1HB SER 31 1HB SER 31 -0.597 11.022 -8.490 58 2HB SER 31 2HB SER 31 0.079 9.463 -8.959 59 HG SER 31 HG SER 31 -1.885 8.492 -8.535 60 H VAL 32 H VAL 32 0.611 12.064 -6.269 61 HA VAL 32 HA VAL 32 -1.212 12.499 -4.067 62 HB VAL 32 HB VAL 32 0.766 14.389 -5.375 63 1HG1 VAL 32 1HG1 VAL 32 -0.782 14.653 -2.799 64 2HG1 VAL 32 2HG1 VAL 32 -0.991 15.626 -4.256 65 3HG1 VAL 32 3HG1 VAL 32 0.506 15.734 -3.329 66 1HG2 VAL 32 1HG2 VAL 32 0.993 12.790 -2.832 67 2HG2 VAL 32 2HG2 VAL 32 2.178 13.947 -3.438 68 3HG2 VAL 32 3HG2 VAL 32 1.846 12.469 -4.341 69 H VAL 33 H VAL 33 -3.134 13.516 -4.199 70 HA VAL 33 HA VAL 33 -4.021 14.396 -6.821 71 HB VAL 33 HB VAL 33 -6.254 14.357 -5.886 72 1HG1 VAL 33 1HG1 VAL 33 -5.430 12.272 -6.749 73 2HG1 VAL 33 2HG1 VAL 33 -6.440 11.963 -5.338 74 3HG1 VAL 33 3HG1 VAL 33 -4.682 11.884 -5.199 75 1HG2 VAL 33 1HG2 VAL 33 -5.803 15.148 -3.644 76 2HG2 VAL 33 2HG2 VAL 33 -4.955 13.649 -3.260 77 3HG2 VAL 33 3HG2 VAL 33 -6.690 13.628 -3.585 78 HA PRO 34 HA PRO 34 -4.031 18.739 -5.837 79 1HB PRO 34 1HB PRO 34 -6.500 19.478 -6.810 80 2HB PRO 34 2HB PRO 34 -5.055 19.279 -7.806 81 1HG PRO 34 1HG PRO 34 -7.330 17.391 -7.357 82 2HG PRO 34 2HG PRO 34 -6.440 17.744 -8.851 83 1HD PRO 34 1HD PRO 34 -5.987 15.520 -7.403 84 2HD PRO 34 2HD PRO 34 -4.687 16.351 -8.280 85 H GLY 35 H GLY 35 -4.136 19.022 -3.682 86 1HA GLY 35 1HA GLY 35 -5.866 20.101 -2.127 87 2HA GLY 35 2HA GLY 35 -6.702 18.563 -2.308 88 H SER 36 H SER 36 -5.630 19.833 0.090 89 HA SER 36 HA SER 36 -4.721 19.158 2.048 90 1HB SER 36 1HB SER 36 -4.169 16.570 0.624 91 2HB SER 36 2HB SER 36 -4.020 16.824 2.357 92 HG SER 36 HG SER 36 -6.025 16.048 2.164 93 HA PRO 37 HA PRO 37 -0.501 20.234 1.599 94 1HB PRO 37 1HB PRO 37 0.402 19.948 4.093 95 2HB PRO 37 2HB PRO 37 -0.853 21.125 3.697 96 1HG PRO 37 1HG PRO 37 -1.115 18.429 4.954 97 2HG PRO 37 2HG PRO 37 -1.948 19.940 5.360 98 1HD PRO 37 1HD PRO 37 -3.018 17.917 3.812 99 2HD PRO 37 2HD PRO 37 -3.554 19.608 3.781 100 H ALA 38 H ALA 38 -1.254 17.145 1.510 101 HA ALA 38 HA ALA 38 0.932 15.703 2.492 102 1HB ALA 38 1HB ALA 38 -0.756 15.049 0.082 103 2HB ALA 38 2HB ALA 38 -1.167 14.668 1.754 104 3HB ALA 38 3HB ALA 38 0.241 13.922 0.999 105 H SER 39 H SER 39 0.513 17.488 -0.487 106 HA SER 39 HA SER 39 2.613 16.306 -1.946 107 1HB SER 39 1HB SER 39 2.367 18.682 -3.147 108 2HB SER 39 2HB SER 39 1.180 17.394 -3.349 109 HG SER 39 HG SER 39 -0.238 18.599 -2.390 110 H LYS 40 H LYS 40 2.633 18.723 0.541 111 HA LYS 40 HA LYS 40 5.362 19.521 -0.190 112 1HB LYS 40 1HB LYS 40 5.122 21.328 1.429 113 2HB LYS 40 2HB LYS 40 3.793 21.350 0.277 114 1HG LYS 40 1HG LYS 40 2.307 20.387 1.892 115 2HG LYS 40 2HG LYS 40 3.630 20.149 3.030 116 1HD LYS 40 1HD LYS 40 2.327 22.091 3.662 117 2HD LYS 40 2HD LYS 40 3.940 22.586 3.149 118 1HE LYS 40 1HE LYS 40 3.072 23.241 0.975 119 2HE LYS 40 2HE LYS 40 1.463 22.680 1.431 120 1HZ LYS 40 1HZ LYS 40 2.931 24.838 2.845 121 2HZ LYS 40 2HZ LYS 40 1.321 24.369 3.094 122 3HZ LYS 40 3HZ LYS 40 1.773 25.114 1.641 123 H VAL 41 H VAL 41 4.004 17.122 1.489 124 HA VAL 41 HA VAL 41 5.985 17.212 3.667 125 HB VAL 41 HB VAL 41 3.402 15.642 3.549 126 1HG1 VAL 41 1HG1 VAL 41 3.885 15.080 5.897 127 2HG1 VAL 41 2HG1 VAL 41 5.460 15.865 5.744 128 3HG1 VAL 41 3HG1 VAL 41 5.092 14.429 4.788 129 1HG2 VAL 41 1HG2 VAL 41 3.074 18.053 3.876 130 2HG2 VAL 41 2HG2 VAL 41 4.159 18.003 5.266 131 3HG2 VAL 41 3HG2 VAL 41 2.631 17.124 5.308 132 H LEU 42 H LEU 42 4.324 14.869 1.526 133 HA LEU 42 HA LEU 42 6.766 13.242 1.660 134 1HB LEU 42 1HB LEU 42 5.131 11.335 1.103 135 2HB LEU 42 2HB LEU 42 5.272 11.904 2.746 136 HG LEU 42 HG LEU 42 3.213 13.355 2.214 137 1HD1 LEU 42 1HD1 LEU 42 3.019 11.356 -0.036 138 2HD1 LEU 42 2HD1 LEU 42 3.235 13.098 -0.202 139 3HD1 LEU 42 3HD1 LEU 42 1.740 12.456 0.478 140 1HD2 LEU 42 1HD2 LEU 42 2.935 10.356 2.309 141 2HD2 LEU 42 2HD2 LEU 42 1.719 11.538 2.797 142 3HD2 LEU 42 3HD2 LEU 42 3.232 11.403 3.695 143 H THR 43 H THR 43 6.539 11.495 -0.192 144 HA THR 43 HA THR 43 6.131 12.983 -2.707 145 HB THR 43 HB THR 43 8.210 10.837 -2.204 146 HG1 THR 43 HG1 THR 43 8.204 13.489 -1.575 147 1HG2 THR 43 1HG2 THR 43 7.892 12.811 -4.469 148 2HG2 THR 43 2HG2 THR 43 7.523 11.089 -4.550 149 3HG2 THR 43 3HG2 THR 43 9.186 11.623 -4.300 150 HA PRO 44 HA PRO 44 3.348 9.601 -3.669 151 1HB PRO 44 1HB PRO 44 3.229 10.017 -6.378 152 2HB PRO 44 2HB PRO 44 2.286 10.936 -5.199 153 1HG PRO 44 1HG PRO 44 4.828 11.673 -6.587 154 2HG PRO 44 2HG PRO 44 3.419 12.682 -6.216 155 1HD PRO 44 1HD PRO 44 5.693 12.769 -4.756 156 2HD PRO 44 2HD PRO 44 4.090 13.038 -4.039 157 H GLY 45 H GLY 45 3.540 7.514 -4.440 158 1HA GLY 45 1HA GLY 45 4.537 5.798 -5.738 159 2HA GLY 45 2HA GLY 45 5.921 6.843 -6.009 160 H LEU 46 H LEU 46 4.990 6.884 -2.772 161 HA LEU 46 HA LEU 46 7.172 5.060 -2.086 162 1HB LEU 46 1HB LEU 46 5.639 6.986 -0.336 163 2HB LEU 46 2HB LEU 46 7.020 6.027 0.163 164 HG LEU 46 HG LEU 46 7.035 8.252 -1.873 165 1HD1 LEU 46 1HD1 LEU 46 8.199 8.051 0.902 166 2HD1 LEU 46 2HD1 LEU 46 6.850 9.070 0.397 167 3HD1 LEU 46 3HD1 LEU 46 8.471 9.381 -0.224 168 1HD2 LEU 46 1HD2 LEU 46 9.288 6.517 -0.877 169 2HD2 LEU 46 2HD2 LEU 46 9.463 7.940 -1.904 170 3HD2 LEU 46 3HD2 LEU 46 8.607 6.520 -2.505 171 H VAL 47 H VAL 47 6.836 3.654 -0.160 172 HA VAL 47 HA VAL 47 4.211 2.358 -0.308 173 HB VAL 47 HB VAL 47 6.721 1.369 1.064 174 1HG1 VAL 47 1HG1 VAL 47 4.189 -0.082 0.291 175 2HG1 VAL 47 2HG1 VAL 47 4.662 0.374 1.926 176 3HG1 VAL 47 3HG1 VAL 47 5.612 -0.814 1.034 177 1HG2 VAL 47 1HG2 VAL 47 7.076 1.630 -1.345 178 2HG2 VAL 47 2HG2 VAL 47 5.649 0.641 -1.660 179 3HG2 VAL 47 3HG2 VAL 47 7.059 -0.067 -0.869 180 H ILE 48 H ILE 48 2.872 2.154 1.466 181 HA ILE 48 HA ILE 48 3.609 3.739 3.832 182 HB ILE 48 HB ILE 48 0.880 2.817 2.914 183 1HG1 ILE 48 1HG1 ILE 48 2.103 5.583 2.904 184 2HG1 ILE 48 2HG1 ILE 48 1.885 4.570 1.481 185 1HG2 ILE 48 1HG2 ILE 48 1.639 4.648 5.186 186 2HG2 ILE 48 2HG2 ILE 48 1.042 2.997 5.346 187 3HG2 ILE 48 3HG2 ILE 48 -0.003 4.251 4.676 188 1HD1 ILE 48 1HD1 ILE 48 0.155 6.263 1.634 189 2HD1 ILE 48 2HD1 ILE 48 -0.312 5.664 3.226 190 3HD1 ILE 48 3HD1 ILE 48 -0.534 4.649 1.801 191 H GLU 49 H GLU 49 4.346 2.603 5.470 192 HA GLU 49 HA GLU 49 3.783 -0.198 5.813 193 1HB GLU 49 1HB GLU 49 5.952 0.838 6.449 194 2HB GLU 49 2HB GLU 49 5.120 1.743 7.698 195 1HG GLU 49 1HG GLU 49 4.334 -0.675 8.426 196 2HG GLU 49 2HG GLU 49 5.816 -1.136 7.592 197 H SER 50 H SER 50 3.101 2.749 7.647 198 HA SER 50 HA SER 50 0.730 1.501 8.758 199 1HB SER 50 1HB SER 50 1.533 2.179 11.105 200 2HB SER 50 2HB SER 50 2.238 0.732 10.391 201 HG SER 50 HG SER 50 4.130 1.666 10.398 202 H ILE 51 H ILE 51 -0.777 2.865 9.524 203 HA ILE 51 HA ILE 51 -0.164 5.755 9.408 204 HB ILE 51 HB ILE 51 -2.818 4.404 8.862 205 1HG1 ILE 51 1HG1 ILE 51 -0.934 5.968 7.088 206 2HG1 ILE 51 2HG1 ILE 51 -1.296 4.253 6.972 207 1HG2 ILE 51 1HG2 ILE 51 -2.137 7.347 8.935 208 2HG2 ILE 51 2HG2 ILE 51 -3.153 6.487 10.093 209 3HG2 ILE 51 3HG2 ILE 51 -3.680 6.665 8.419 210 1HD1 ILE 51 1HD1 ILE 51 -3.245 6.490 6.496 211 2HD1 ILE 51 2HD1 ILE 51 -3.595 4.765 6.361 212 3HD1 ILE 51 3HD1 ILE 51 -2.447 5.523 5.255 213 H ASN 52 H ASN 52 -0.119 6.644 11.366 214 HA ASN 52 HA ASN 52 -0.306 6.884 13.632 215 1HB ASN 52 1HB ASN 52 -2.791 7.020 12.887 216 2HB ASN 52 2HB ASN 52 -2.916 5.383 13.516 217 1HD2 ASN 52 1HD2 ASN 52 -2.488 8.729 14.299 218 2HD2 ASN 52 2HD2 ASN 52 -2.724 8.574 16.001 219 H GLY 53 H GLY 53 -1.580 4.917 15.456 220 1HA GLY 53 1HA GLY 53 0.531 2.953 15.450 221 2HA GLY 53 2HA GLY 53 -0.780 3.075 16.614 222 H MET 54 H MET 54 -1.582 3.001 13.253 223 HA MET 54 HA MET 54 -2.419 0.188 13.508 224 1HB MET 54 1HB MET 54 -3.925 2.445 12.162 225 2HB MET 54 2HB MET 54 -4.400 0.754 12.129 226 1HG MET 54 1HG MET 54 -4.775 0.758 14.502 227 2HG MET 54 2HG MET 54 -4.144 2.398 14.632 228 1HE MET 54 1HE MET 54 -5.386 4.550 13.746 229 2HE MET 54 2HE MET 54 -6.865 4.500 12.789 230 3HE MET 54 3HE MET 54 -5.367 3.848 12.127 231 HA PRO 55 HA PRO 55 0.219 0.224 9.851 232 1HB PRO 55 1HB PRO 55 0.644 -2.424 9.753 233 2HB PRO 55 2HB PRO 55 1.493 -1.377 10.893 234 1HG PRO 55 1HG PRO 55 -0.867 -3.157 11.352 235 2HG PRO 55 2HG PRO 55 0.550 -2.886 12.383 236 1HD PRO 55 1HD PRO 55 -1.867 -1.684 12.805 237 2HD PRO 55 2HD PRO 55 -0.319 -0.966 13.288 238 H THR 56 H THR 56 -0.071 -0.339 7.699 239 HA THR 56 HA THR 56 -2.679 -1.546 7.047 240 HB THR 56 HB THR 56 -2.641 -0.073 5.006 241 HG1 THR 56 HG1 THR 56 -0.303 0.392 5.282 242 1HG2 THR 56 1HG2 THR 56 -2.665 1.332 7.680 243 2HG2 THR 56 2HG2 THR 56 -4.022 0.478 6.946 244 3HG2 THR 56 3HG2 THR 56 -3.388 1.939 6.189 245 H SER 57 H SER 57 -2.205 -3.543 6.321 246 HA SER 57 HA SER 57 0.154 -3.918 4.637 247 1HB SER 57 1HB SER 57 -0.455 -6.382 4.930 248 2HB SER 57 2HB SER 57 0.062 -5.521 6.377 249 HG SER 57 HG SER 57 -1.943 -6.913 6.425 250 H ASN 58 H ASN 58 -3.313 -3.784 4.435 251 HA ASN 58 HA ASN 58 -3.020 -3.968 1.551 252 1HB ASN 58 1HB ASN 58 -4.991 -5.406 1.316 253 2HB ASN 58 2HB ASN 58 -3.713 -6.215 2.187 254 1HD2 ASN 58 1HD2 ASN 58 -6.512 -6.746 2.137 255 2HD2 ASN 58 2HD2 ASN 58 -7.100 -6.649 3.752 256 H LEU 59 H LEU 59 -5.605 -3.801 0.831 257 HA LEU 59 HA LEU 59 -6.173 -1.069 1.283 258 1HB LEU 59 1HB LEU 59 -7.538 -3.308 -0.150 259 2HB LEU 59 2HB LEU 59 -8.330 -1.771 0.040 260 HG LEU 59 HG LEU 59 -5.739 -2.286 -1.401 261 1HD1 LEU 59 1HD1 LEU 59 -8.443 -1.368 -2.371 262 2HD1 LEU 59 2HD1 LEU 59 -7.719 -2.953 -2.645 263 3HD1 LEU 59 3HD1 LEU 59 -6.993 -1.514 -3.363 264 1HD2 LEU 59 1HD2 LEU 59 -5.610 -0.154 -0.234 265 2HD2 LEU 59 2HD2 LEU 59 -7.169 0.325 -0.904 266 3HD2 LEU 59 3HD2 LEU 59 -5.783 0.105 -1.971 267 H THR 60 H THR 60 -7.493 -4.048 2.610 268 HA THR 60 HA THR 60 -9.829 -2.934 3.724 269 HB THR 60 HB THR 60 -8.341 -5.320 4.817 270 HG1 THR 60 HG1 THR 60 -10.032 -5.076 2.523 271 1HG2 THR 60 1HG2 THR 60 -10.614 -6.123 5.328 272 2HG2 THR 60 2HG2 THR 60 -11.278 -4.617 4.692 273 3HG2 THR 60 3HG2 THR 60 -10.264 -4.594 6.134 274 H THR 61 H THR 61 -6.609 -3.553 5.136 275 HA THR 61 HA THR 61 -7.261 -2.557 7.705 276 HB THR 61 HB THR 61 -4.656 -2.225 7.790 277 HG1 THR 61 HG1 THR 61 -4.729 -4.107 5.684 278 1HG2 THR 61 1HG2 THR 61 -5.938 -4.940 7.463 279 2HG2 THR 61 2HG2 THR 61 -5.853 -4.000 8.954 280 3HG2 THR 61 3HG2 THR 61 -4.378 -4.631 8.222 281 H TYR 62 H TYR 62 -6.068 -1.097 4.769 282 HA TYR 62 HA TYR 62 -5.510 1.485 5.710 283 1HB TYR 62 1HB TYR 62 -4.797 0.823 3.514 284 2HB TYR 62 2HB TYR 62 -6.443 0.455 3.025 285 HD1 TYR 62 HD1 TYR 62 -4.218 3.276 3.997 286 HD2 TYR 62 HD2 TYR 62 -7.740 2.053 1.952 287 HE1 TYR 62 HE1 TYR 62 -4.433 5.524 3.027 288 HE2 TYR 62 HE2 TYR 62 -7.967 4.296 0.979 289 HH TYR 62 HH TYR 62 -5.491 6.543 0.992 290 H SER 63 H SER 63 -8.485 0.066 4.416 291 HA SER 63 HA SER 63 -10.068 2.386 4.571 292 1HB SER 63 1HB SER 63 -10.537 0.159 3.334 293 2HB SER 63 2HB SER 63 -11.162 -0.406 4.881 294 HG SER 63 HG SER 63 -12.937 0.467 4.091 295 H ALA 64 H ALA 64 -9.568 -0.287 6.842 296 HA ALA 64 HA ALA 64 -11.494 0.550 8.734 297 1HB ALA 64 1HB ALA 64 -10.469 -1.068 10.227 298 2HB ALA 64 2HB ALA 64 -9.062 -1.181 9.170 299 3HB ALA 64 3HB ALA 64 -10.635 -1.743 8.607 300 H ALA 65 H ALA 65 -8.175 1.460 8.201 301 HA ALA 65 HA ALA 65 -7.890 2.785 10.735 302 1HB ALA 65 1HB ALA 65 -6.247 3.046 8.218 303 2HB ALA 65 2HB ALA 65 -5.933 1.929 9.546 304 3HB ALA 65 3HB ALA 65 -5.810 3.670 9.808 305 H LEU 66 H LEU 66 -8.604 3.715 7.420 306 HA LEU 66 HA LEU 66 -8.504 6.495 7.701 307 1HB LEU 66 1HB LEU 66 -8.929 4.747 5.656 308 2HB LEU 66 2HB LEU 66 -10.530 5.427 5.848 309 HG LEU 66 HG LEU 66 -8.011 7.002 5.303 310 1HD1 LEU 66 1HD1 LEU 66 -8.977 7.382 3.106 311 2HD1 LEU 66 2HD1 LEU 66 -10.361 6.372 3.525 312 3HD1 LEU 66 3HD1 LEU 66 -8.753 5.656 3.400 313 1HD2 LEU 66 1HD2 LEU 66 -10.883 7.914 5.446 314 2HD2 LEU 66 2HD2 LEU 66 -9.497 8.907 4.995 315 3HD2 LEU 66 3HD2 LEU 66 -9.630 8.268 6.634 316 H LYS 67 H LYS 67 -11.177 4.228 8.185 317 HA LYS 67 HA LYS 67 -13.207 6.173 8.337 318 1HB LYS 67 1HB LYS 67 -14.630 4.414 9.205 319 2HB LYS 67 2HB LYS 67 -13.647 3.801 7.885 320 1HG LYS 67 1HG LYS 67 -12.127 2.773 9.509 321 2HG LYS 67 2HG LYS 67 -13.154 3.357 10.819 322 1HD LYS 67 1HD LYS 67 -14.070 1.514 8.613 323 2HD LYS 67 2HD LYS 67 -13.544 0.978 10.207 324 1HE LYS 67 1HE LYS 67 -15.853 2.849 9.691 325 2HE LYS 67 2HE LYS 67 -16.005 1.118 9.979 326 1HZ LYS 67 1HZ LYS 67 -14.744 1.612 12.133 327 2HZ LYS 67 2HZ LYS 67 -16.377 2.047 12.049 328 3HZ LYS 67 3HZ LYS 67 -15.175 3.233 11.870 329 H THR 68 H THR 68 -10.732 5.668 10.516 330 HA THR 68 HA THR 68 -12.392 6.555 12.775 331 HB THR 68 HB THR 68 -10.610 5.852 14.264 332 HG1 THR 68 HG1 THR 68 -9.210 5.224 11.853 333 1HG2 THR 68 1HG2 THR 68 -11.247 3.739 12.204 334 2HG2 THR 68 2HG2 THR 68 -12.217 4.144 13.621 335 3HG2 THR 68 3HG2 THR 68 -10.619 3.427 13.822 336 H ILE 69 H ILE 69 -10.207 7.695 10.471 337 HA ILE 69 HA ILE 69 -8.702 9.507 12.094 338 HB ILE 69 HB ILE 69 -9.115 9.562 9.098 339 1HG1 ILE 69 1HG1 ILE 69 -8.223 7.400 9.816 340 2HG1 ILE 69 2HG1 ILE 69 -6.978 8.328 8.991 341 1HG2 ILE 69 1HG2 ILE 69 -8.236 11.655 9.997 342 2HG2 ILE 69 2HG2 ILE 69 -7.009 10.805 9.059 343 3HG2 ILE 69 3HG2 ILE 69 -6.952 10.769 10.820 344 1HD1 ILE 69 1HD1 ILE 69 -6.019 8.950 11.161 345 2HD1 ILE 69 2HD1 ILE 69 -6.059 7.202 10.920 346 3HD1 ILE 69 3HD1 ILE 69 -7.249 7.974 11.966 347 H SER 70 H SER 70 -9.001 11.668 12.481 348 HA SER 70 HA SER 70 -11.665 12.724 11.975 349 1HB SER 70 1HB SER 70 -9.446 14.135 13.449 350 2HB SER 70 2HB SER 70 -11.188 14.325 13.649 351 HG SER 70 HG SER 70 -9.526 12.178 14.461 352 H VAL 71 H VAL 71 -12.049 14.726 10.933 353 HA VAL 71 HA VAL 71 -10.288 15.312 8.747 354 HB VAL 71 HB VAL 71 -12.659 16.907 9.726 355 1HG1 VAL 71 1HG1 VAL 71 -11.229 16.892 7.075 356 2HG1 VAL 71 2HG1 VAL 71 -11.229 18.199 8.261 357 3HG1 VAL 71 3HG1 VAL 71 -12.719 17.765 7.423 358 1HG2 VAL 71 1HG2 VAL 71 -13.924 15.731 7.970 359 2HG2 VAL 71 2HG2 VAL 71 -13.340 14.637 9.223 360 3HG2 VAL 71 3HG2 VAL 71 -12.518 14.712 7.665 361 H GLY 72 H GLY 72 -8.516 16.505 8.881 362 1HA GLY 72 1HA GLY 72 -7.336 18.501 9.321 363 2HA GLY 72 2HA GLY 72 -8.521 18.898 10.557 364 H GLU 73 H GLU 73 -7.568 15.703 10.798 365 HA GLU 73 HA GLU 73 -6.028 16.274 13.186 366 1HB GLU 73 1HB GLU 73 -7.816 14.452 12.972 367 2HB GLU 73 2HB GLU 73 -6.621 13.562 12.046 368 1HG GLU 73 1HG GLU 73 -5.081 13.765 14.005 369 2HG GLU 73 2HG GLU 73 -6.442 14.415 14.915 370 H VAL 74 H VAL 74 -3.910 15.605 13.533 371 HA VAL 74 HA VAL 74 -2.312 15.297 11.105 372 HB VAL 74 HB VAL 74 -1.391 15.648 13.970 373 1HG1 VAL 74 1HG1 VAL 74 0.141 15.857 11.380 374 2HG1 VAL 74 2HG1 VAL 74 0.265 14.549 12.557 375 3HG1 VAL 74 3HG1 VAL 74 0.778 16.177 12.995 376 1HG2 VAL 74 1HG2 VAL 74 -2.609 17.608 13.214 377 2HG2 VAL 74 2HG2 VAL 74 -1.635 17.674 11.746 378 3HG2 VAL 74 3HG2 VAL 74 -0.886 17.967 13.316 379 H ILE 75 H ILE 75 -1.941 13.304 10.407 380 HA ILE 75 HA ILE 75 -1.919 11.113 12.375 381 HB ILE 75 HB ILE 75 -2.388 9.608 10.433 382 1HG1 ILE 75 1HG1 ILE 75 -2.945 12.210 8.988 383 2HG1 ILE 75 2HG1 ILE 75 -1.568 11.160 8.671 384 1HG2 ILE 75 1HG2 ILE 75 -4.762 10.156 10.328 385 2HG2 ILE 75 2HG2 ILE 75 -4.434 11.768 10.965 386 3HG2 ILE 75 3HG2 ILE 75 -4.140 10.346 11.969 387 1HD1 ILE 75 1HD1 ILE 75 -4.471 10.466 8.279 388 2HD1 ILE 75 2HD1 ILE 75 -3.111 9.377 8.001 389 3HD1 ILE 75 3HD1 ILE 75 -3.293 10.828 7.017 390 H ASN 76 H ASN 76 -0.432 9.420 12.112 391 HA ASN 76 HA ASN 76 2.114 10.285 10.976 392 1HB ASN 76 1HB ASN 76 2.268 9.547 13.255 393 2HB ASN 76 2HB ASN 76 1.351 8.086 12.906 394 1HD2 ASN 76 1HD2 ASN 76 2.372 6.340 11.980 395 2HD2 ASN 76 2HD2 ASN 76 4.090 6.242 11.798 396 H ILE 77 H ILE 77 2.853 9.461 9.111 397 HA ILE 77 HA ILE 77 1.802 6.846 8.273 398 HB ILE 77 HB ILE 77 2.375 9.202 6.471 399 1HG1 ILE 77 1HG1 ILE 77 -0.189 7.724 7.130 400 2HG1 ILE 77 2HG1 ILE 77 0.215 9.370 7.598 401 1HG2 ILE 77 1HG2 ILE 77 1.646 7.717 4.637 402 2HG2 ILE 77 2HG2 ILE 77 1.586 6.377 5.781 403 3HG2 ILE 77 3HG2 ILE 77 3.126 7.155 5.417 404 1HD1 ILE 77 1HD1 ILE 77 0.232 10.015 5.226 405 2HD1 ILE 77 2HD1 ILE 77 -1.331 9.390 5.756 406 3HD1 ILE 77 3HD1 ILE 77 -0.250 8.373 4.802 407 H THR 78 H THR 78 3.407 5.524 8.637 408 HA THR 78 HA THR 78 6.171 6.272 8.341 409 HB THR 78 HB THR 78 5.130 3.450 8.621 410 HG1 THR 78 HG1 THR 78 4.434 3.899 10.565 411 1HG2 THR 78 1HG2 THR 78 7.218 3.143 9.884 412 2HG2 THR 78 2HG2 THR 78 7.637 4.831 9.589 413 3HG2 THR 78 3HG2 THR 78 7.521 3.701 8.239 414 H THR 79 H THR 79 6.780 6.654 6.246 415 HA THR 79 HA THR 79 5.778 4.852 4.183 416 HB THR 79 HB THR 79 6.695 6.396 2.543 417 HG1 THR 79 HG1 THR 79 7.800 7.640 4.838 418 1HG2 THR 79 1HG2 THR 79 4.457 6.857 3.381 419 2HG2 THR 79 2HG2 THR 79 5.304 8.363 3.029 420 3HG2 THR 79 3HG2 THR 79 5.131 7.819 4.697 421 H ASP 80 H ASP 80 7.347 4.241 2.471 422 HA ASP 80 HA ASP 80 9.261 2.494 3.387 423 1HB ASP 80 1HB ASP 80 8.265 2.459 1.133 424 2HB ASP 80 2HB ASP 80 9.179 3.905 0.713 425 H GLN 81 H GLN 81 9.614 5.912 2.674 426 HA GLN 81 HA GLN 81 12.507 5.670 3.156 427 1HB GLN 81 1HB GLN 81 11.025 7.545 1.318 428 2HB GLN 81 2HB GLN 81 12.736 7.690 1.698 429 1HG GLN 81 1HG GLN 81 13.158 5.504 0.732 430 2HG GLN 81 2HG GLN 81 11.439 5.302 0.407 431 1HE2 GLN 81 1HE2 GLN 81 12.997 8.360 0.051 432 2HE2 GLN 81 2HE2 GLN 81 12.960 8.415 -1.680 433 H GLY 82 H GLY 82 10.270 6.245 5.076 434 1HA GLY 82 1HA GLY 82 11.556 7.639 6.938 435 2HA GLY 82 2HA GLY 82 10.968 8.946 5.926 436 H THR 83 H THR 83 10.376 8.312 8.709 437 HA THR 83 HA THR 83 7.525 7.669 8.622 438 HB THR 83 HB THR 83 9.246 8.335 11.026 439 HG1 THR 83 HG1 THR 83 9.405 6.199 9.503 440 1HG2 THR 83 1HG2 THR 83 6.579 6.932 10.821 441 2HG2 THR 83 2HG2 THR 83 6.827 8.590 11.366 442 3HG2 THR 83 3HG2 THR 83 7.481 7.248 12.304 443 H PHE 84 H PHE 84 6.280 9.366 8.026 444 HA PHE 84 HA PHE 84 7.033 12.037 9.028 445 1HB PHE 84 1HB PHE 84 5.474 11.366 6.524 446 2HB PHE 84 2HB PHE 84 5.902 12.980 7.074 447 HD1 PHE 84 HD1 PHE 84 6.921 10.139 5.170 448 HD2 PHE 84 HD2 PHE 84 8.360 13.583 7.211 449 HE1 PHE 84 HE1 PHE 84 9.022 10.008 3.898 450 HE2 PHE 84 HE2 PHE 84 10.463 13.459 5.942 451 HZ PHE 84 HZ PHE 84 10.798 11.672 4.282 452 H HIS 85 H HIS 85 5.303 13.479 9.544 453 HA HIS 85 HA HIS 85 2.703 12.200 9.969 454 1HB HIS 85 1HB HIS 85 2.390 13.723 11.925 455 2HB HIS 85 2HB HIS 85 3.631 12.509 12.157 456 HD1 HIS 85 HD1 HIS 85 5.989 13.327 12.633 457 HD2 HIS 85 HD2 HIS 85 3.337 16.396 11.691 458 HE1 HIS 85 HE1 HIS 85 7.206 15.467 13.161 459 HE2 HIS 85 HE2 HIS 85 5.509 17.293 12.786 460 H LEU 86 H LEU 86 1.035 13.190 9.076 461 HA LEU 86 HA LEU 86 1.366 15.933 8.129 462 1HB LEU 86 1HB LEU 86 0.224 15.239 6.027 463 2HB LEU 86 2HB LEU 86 1.857 14.652 6.213 464 HG LEU 86 HG LEU 86 -0.445 12.893 6.963 465 1HD1 LEU 86 1HD1 LEU 86 0.647 13.282 4.176 466 2HD1 LEU 86 2HD1 LEU 86 -0.969 13.723 4.726 467 3HD1 LEU 86 3HD1 LEU 86 -0.489 12.027 4.675 468 1HD2 LEU 86 1HD2 LEU 86 1.857 12.232 7.521 469 2HD2 LEU 86 2HD2 LEU 86 2.292 12.347 5.815 470 3HD2 LEU 86 3HD2 LEU 86 1.122 11.141 6.348 471 H LYS 87 H LYS 87 -0.622 17.025 7.652 472 HA LYS 87 HA LYS 87 -2.769 16.143 9.435 473 1HB LYS 87 1HB LYS 87 -1.913 18.382 9.801 474 2HB LYS 87 2HB LYS 87 -2.184 18.798 8.115 475 1HG LYS 87 1HG LYS 87 -4.591 18.571 8.450 476 2HG LYS 87 2HG LYS 87 -4.312 18.166 10.145 477 1HD LYS 87 1HD LYS 87 -3.349 20.332 10.559 478 2HD LYS 87 2HD LYS 87 -3.436 20.741 8.844 479 1HE LYS 87 1HE LYS 87 -5.810 20.159 10.610 480 2HE LYS 87 2HE LYS 87 -5.237 21.773 10.191 481 1HZ LYS 87 1HZ LYS 87 -7.043 21.164 8.764 482 2HZ LYS 87 2HZ LYS 87 -6.273 19.727 8.306 483 3HZ LYS 87 3HZ LYS 87 -5.623 21.220 7.841 484 H THR 88 H THR 88 -4.698 15.484 8.717 485 HA THR 88 HA THR 88 -5.129 15.013 5.943 486 HB THR 88 HB THR 88 -7.423 14.317 6.666 487 HG1 THR 88 HG1 THR 88 -7.406 14.131 9.158 488 1HG2 THR 88 1HG2 THR 88 -5.137 13.169 8.267 489 2HG2 THR 88 2HG2 THR 88 -5.570 12.719 6.617 490 3HG2 THR 88 3HG2 THR 88 -6.676 12.370 7.947 491 H GLY 89 H GLY 89 -6.333 16.070 4.471 492 1HA GLY 89 1HA GLY 89 -7.084 18.784 5.029 493 2HA GLY 89 2HA GLY 89 -7.214 17.952 3.483 494 H ARG 90 H ARG 90 -9.254 19.421 3.941 495 HA ARG 90 HA ARG 90 -11.245 18.005 5.514 496 1HB ARG 90 1HB ARG 90 -12.679 19.992 5.062 497 2HB ARG 90 2HB ARG 90 -11.182 20.361 5.899 498 1HG ARG 90 1HG ARG 90 -11.432 22.079 4.341 499 2HG ARG 90 2HG ARG 90 -10.253 20.994 3.607 500 1HD ARG 90 1HD ARG 90 -11.909 20.061 2.159 501 2HD ARG 90 2HD ARG 90 -13.202 20.914 3.000 502 HE ARG 90 HE ARG 90 -11.104 22.410 1.571 503 1HH1 ARG 90 1HH1 ARG 90 -14.456 21.532 2.043 504 2HH1 ARG 90 2HH1 ARG 90 -15.070 22.779 0.998 505 1HH2 ARG 90 1HH2 ARG 90 -11.906 24.046 0.159 506 2HH2 ARG 90 2HH2 ARG 90 -13.622 24.180 -0.098 507 H ASN 91 H ASN 91 -13.429 17.737 4.630 508 HA ASN 91 HA ASN 91 -13.331 16.439 2.061 509 1HB ASN 91 1HB ASN 91 -15.866 16.134 2.631 510 2HB ASN 91 2HB ASN 91 -14.656 15.241 3.546 511 1HD2 ASN 91 1HD2 ASN 91 -17.055 17.748 3.643 512 2HD2 ASN 91 2HD2 ASN 91 -17.012 17.992 5.357 513 HA PRO 92 HA PRO 92 -14.551 19.867 -0.486 514 1HB PRO 92 1HB PRO 92 -16.020 17.736 -1.973 515 2HB PRO 92 2HB PRO 92 -14.876 18.943 -2.575 516 1HG PRO 92 1HG PRO 92 -14.125 16.412 -2.290 517 2HG PRO 92 2HG PRO 92 -13.021 17.733 -1.863 518 1HD PRO 92 1HD PRO 92 -14.633 15.955 -0.083 519 2HD PRO 92 2HD PRO 92 -12.996 16.600 0.151 520 H ASN 93 H ASN 93 -17.111 17.389 -0.269 521 HA ASN 93 HA ASN 93 -18.889 19.462 0.835 522 1HB ASN 93 1HB ASN 93 -19.485 18.866 -1.528 523 2HB ASN 93 2HB ASN 93 -19.755 17.214 -0.999 524 1HD2 ASN 93 1HD2 ASN 93 -21.536 19.202 -2.203 525 2HD2 ASN 93 2HD2 ASN 93 -22.895 19.326 -1.130 526 H ASN 94 H ASN 94 -19.547 16.031 0.297 527 HA ASN 94 HA ASN 94 -18.763 15.242 2.921 528 1HB ASN 94 1HB ASN 94 -20.932 16.468 3.360 529 2HB ASN 94 2HB ASN 94 -21.742 15.226 2.408 530 1HD2 ASN 94 1HD2 ASN 94 -20.020 15.918 5.355 531 2HD2 ASN 94 2HD2 ASN 94 -20.484 14.476 6.196 532 H SER 95 H SER 95 -17.643 13.798 1.524 533 HA SER 95 HA SER 95 -19.239 11.405 1.052 534 1HB SER 95 1HB SER 95 -19.052 12.475 -1.159 535 2HB SER 95 2HB SER 95 -17.299 12.527 -0.990 536 HG SER 95 HG SER 95 -18.609 10.626 -2.100 537 H SER 96 H SER 96 -15.863 12.324 0.368 538 HA SER 96 HA SER 96 -14.999 10.191 2.173 539 1HB SER 96 1HB SER 96 -13.377 11.839 0.212 540 2HB SER 96 2HB SER 96 -12.805 10.435 1.113 541 HG SER 96 HG SER 96 -15.101 10.131 -0.452 542 H ARG 97 H ARG 97 -14.070 10.624 4.108 543 HA ARG 97 HA ARG 97 -13.814 13.480 4.813 544 1HB ARG 97 1HB ARG 97 -14.199 11.217 6.776 545 2HB ARG 97 2HB ARG 97 -14.383 12.939 7.064 546 1HG ARG 97 1HG ARG 97 -16.570 12.312 6.949 547 2HG ARG 97 2HG ARG 97 -16.278 12.708 5.255 548 1HD ARG 97 1HD ARG 97 -15.870 10.356 4.762 549 2HD ARG 97 2HD ARG 97 -16.121 9.947 6.457 550 HE ARG 97 HE ARG 97 -18.236 11.026 4.697 551 1HH1 ARG 97 1HH1 ARG 97 -17.165 8.972 7.325 552 2HH1 ARG 97 2HH1 ARG 97 -18.730 8.249 7.554 553 1HH2 ARG 97 1HH2 ARG 97 -20.281 10.089 5.005 554 2HH2 ARG 97 2HH2 ARG 97 -20.495 8.878 6.240 555 H ALA 98 H ALA 98 -12.042 14.146 6.032 556 HA ALA 98 HA ALA 98 -9.853 14.258 6.621 557 1HB ALA 98 1HB ALA 98 -10.565 12.676 8.351 558 2HB ALA 98 2HB ALA 98 -8.903 12.378 7.841 559 3HB ALA 98 3HB ALA 98 -10.202 11.332 7.269 560 H TYR 99 H TYR 99 -9.132 14.711 4.515 561 HA TYR 99 HA TYR 99 -8.492 12.399 2.834 562 1HB TYR 99 1HB TYR 99 -9.774 14.729 2.206 563 2HB TYR 99 2HB TYR 99 -8.129 15.092 1.696 564 HD1 TYR 99 HD1 TYR 99 -11.000 12.846 1.184 565 HD2 TYR 99 HD2 TYR 99 -7.156 14.011 -0.213 566 HE1 TYR 99 HE1 TYR 99 -11.369 11.564 -0.880 567 HE2 TYR 99 HE2 TYR 99 -7.516 12.730 -2.282 568 HH TYR 99 HH TYR 99 -10.588 11.454 -3.154 569 H MET 100 H MET 100 -6.526 11.650 3.000 570 HA MET 100 HA MET 100 -4.379 13.027 4.180 571 1HB MET 100 1HB MET 100 -2.986 11.150 3.466 572 2HB MET 100 2HB MET 100 -4.495 10.583 4.164 573 1HG MET 100 1HG MET 100 -3.916 10.776 1.214 574 2HG MET 100 2HG MET 100 -3.792 9.309 2.180 575 1HE MET 100 1HE MET 100 -6.280 9.581 4.127 576 2HE MET 100 2HE MET 100 -5.867 8.083 3.291 577 3HE MET 100 3HE MET 100 -7.517 8.704 3.225 578 H GLY 101 H GLY 101 -5.435 12.716 0.856 579 1HA GLY 101 1HA GLY 101 -4.991 14.540 -0.638 580 2HA GLY 101 2HA GLY 101 -3.456 14.782 0.176 581 H ILE 102 H ILE 102 -3.809 11.527 -0.210 582 HA ILE 102 HA ILE 102 -2.603 11.555 -2.888 583 HB ILE 102 HB ILE 102 -1.016 9.793 -2.208 584 1HG1 ILE 102 1HG1 ILE 102 -0.629 9.855 0.437 585 2HG1 ILE 102 2HG1 ILE 102 -2.367 10.143 0.429 586 1HG2 ILE 102 1HG2 ILE 102 -0.263 12.078 -2.283 587 2HG2 ILE 102 2HG2 ILE 102 0.517 11.235 -0.943 588 3HG2 ILE 102 3HG2 ILE 102 -0.818 12.347 -0.631 589 1HD1 ILE 102 1HD1 ILE 102 -1.864 7.784 0.705 590 2HD1 ILE 102 2HD1 ILE 102 -0.952 7.782 -0.805 591 3HD1 ILE 102 3HD1 ILE 102 -2.693 8.066 -0.826 592 H ARG 103 H ARG 103 -3.035 9.801 -4.185 593 HA ARG 103 HA ARG 103 -5.274 8.134 -3.451 594 1HB ARG 103 1HB ARG 103 -4.765 9.037 -5.801 595 2HB ARG 103 2HB ARG 103 -3.502 7.820 -5.867 596 1HG ARG 103 1HG ARG 103 -5.310 6.842 -6.964 597 2HG ARG 103 2HG ARG 103 -5.319 6.118 -5.356 598 1HD ARG 103 1HD ARG 103 -7.041 8.445 -6.212 599 2HD ARG 103 2HD ARG 103 -7.571 6.766 -6.162 600 HE ARG 103 HE ARG 103 -6.993 6.933 -3.684 601 1HH1 ARG 103 1HH1 ARG 103 -8.139 9.640 -5.607 602 2HH1 ARG 103 2HH1 ARG 103 -8.846 10.456 -4.239 603 1HH2 ARG 103 1HH2 ARG 103 -7.913 8.017 -1.907 604 2HH2 ARG 103 2HH2 ARG 103 -8.723 9.534 -2.150 605 H THR 104 H THR 104 -5.162 5.998 -2.892 606 HA THR 104 HA THR 104 -2.450 4.984 -2.371 607 HB THR 104 HB THR 104 -4.886 3.989 -0.929 608 HG1 THR 104 HG1 THR 104 -3.717 6.494 -0.760 609 1HG2 THR 104 1HG2 THR 104 -2.789 2.775 -0.632 610 2HG2 THR 104 2HG2 THR 104 -3.243 3.600 0.862 611 3HG2 THR 104 3HG2 THR 104 -1.976 4.267 -0.170 612 H SER 105 H SER 105 -2.094 2.739 -2.643 613 HA SER 105 HA SER 105 -4.074 1.301 -4.249 614 1HB SER 105 1HB SER 105 -2.165 0.488 -5.698 615 2HB SER 105 2HB SER 105 -2.588 2.184 -5.906 616 HG SER 105 HG SER 105 -0.841 2.558 -4.287 617 H ASN 106 H ASN 106 -3.482 -1.033 -4.414 618 HA ASN 106 HA ASN 106 -2.711 -1.978 -1.769 619 1HB ASN 106 1HB ASN 106 -4.899 -2.568 -2.927 620 2HB ASN 106 2HB ASN 106 -3.943 -3.514 -4.059 621 1HD2 ASN 106 1HD2 ASN 106 -5.013 -5.354 -3.467 622 2HD2 ASN 106 2HD2 ASN 106 -4.695 -6.153 -1.978 623 H HIS 107 H HIS 107 -1.792 -1.961 -5.088 624 HA HIS 107 HA HIS 107 0.096 -2.516 -6.189 625 1HB HIS 107 1HB HIS 107 1.174 -1.387 -4.226 626 2HB HIS 107 2HB HIS 107 1.364 -2.971 -3.485 627 HD1 HIS 107 HD1 HIS 107 3.261 -4.470 -4.361 628 HD2 HIS 107 HD2 HIS 107 2.834 -0.905 -6.468 629 HE1 HIS 107 HE1 HIS 107 5.322 -4.273 -5.797 630 HE2 HIS 107 HE2 HIS 107 5.035 -2.119 -7.080 631 H LEU 108 H LEU 108 -1.276 -4.403 -6.764 632 HA LEU 108 HA LEU 108 -0.103 -6.907 -5.787 633 1HB LEU 108 1HB LEU 108 -2.503 -6.411 -7.555 634 2HB LEU 108 2HB LEU 108 -1.903 -7.999 -7.117 635 HG LEU 108 HG LEU 108 -2.913 -5.955 -5.167 636 1HD1 LEU 108 1HD1 LEU 108 -4.874 -7.409 -4.952 637 2HD1 LEU 108 2HD1 LEU 108 -4.252 -8.422 -6.255 638 3HD1 LEU 108 3HD1 LEU 108 -4.717 -6.752 -6.580 639 1HD2 LEU 108 1HD2 LEU 108 -1.290 -7.435 -4.160 640 2HD2 LEU 108 2HD2 LEU 108 -2.133 -8.842 -4.808 641 3HD2 LEU 108 3HD2 LEU 108 -2.905 -7.840 -3.578 642 H ARG 109 H ARG 109 -0.435 -8.472 -7.984 643 HA ARG 109 HA ARG 109 1.258 -7.204 -10.029 644 1HB ARG 109 1HB ARG 109 1.566 -9.959 -8.834 645 2HB ARG 109 2HB ARG 109 2.308 -9.496 -10.361 646 1HG ARG 109 1HG ARG 109 3.497 -7.675 -9.181 647 2HG ARG 109 2HG ARG 109 2.817 -8.263 -7.662 648 1HD ARG 109 1HD ARG 109 3.954 -10.366 -7.913 649 2HD ARG 109 2HD ARG 109 4.523 -9.915 -9.519 650 HE ARG 109 HE ARG 109 5.339 -8.144 -7.380 651 1HH1 ARG 109 1HH1 ARG 109 6.141 -11.025 -9.206 652 2HH1 ARG 109 2HH1 ARG 109 7.859 -10.845 -8.972 653 1HH2 ARG 109 1HH2 ARG 109 7.604 -7.893 -7.092 654 2HH2 ARG 109 2HH2 ARG 109 8.683 -9.063 -7.781 655 H VAL 110 H VAL 110 0.409 -7.205 -11.949 656 HA VAL 110 HA VAL 110 -1.718 -9.159 -12.543 657 HB VAL 110 HB VAL 110 -1.473 -6.371 -13.659 658 1HG1 VAL 110 1HG1 VAL 110 -2.620 -7.896 -15.149 659 2HG1 VAL 110 2HG1 VAL 110 -3.768 -6.753 -14.450 660 3HG1 VAL 110 3HG1 VAL 110 -3.686 -8.404 -13.838 661 1HG2 VAL 110 1HG2 VAL 110 -1.979 -6.252 -11.283 662 2HG2 VAL 110 2HG2 VAL 110 -3.306 -7.395 -11.497 663 3HG2 VAL 110 3HG2 VAL 110 -3.390 -5.796 -12.236 664 H ARG 111 H ARG 111 -1.432 -10.400 -14.255 665 HA ARG 111 HA ARG 111 0.875 -10.007 -15.969 666 1HB ARG 111 1HB ARG 111 0.374 -12.264 -15.170 667 2HB ARG 111 2HB ARG 111 -1.216 -12.192 -15.915 668 1HG ARG 111 1HG ARG 111 -0.185 -12.066 -18.122 669 2HG ARG 111 2HG ARG 111 1.414 -12.123 -17.378 670 1HD ARG 111 1HD ARG 111 -0.691 -14.270 -17.162 671 2HD ARG 111 2HD ARG 111 0.706 -14.315 -18.237 672 HE ARG 111 HE ARG 111 1.725 -13.907 -15.708 673 1HH1 ARG 111 1HH1 ARG 111 -0.237 -16.362 -17.273 674 2HH1 ARG 111 2HH1 ARG 111 0.371 -17.660 -16.290 675 1HH2 ARG 111 1HH2 ARG 111 2.498 -15.590 -14.396 676 2HH2 ARG 111 2HH2 ARG 111 1.928 -17.217 -14.631 677 H ASP 112 H ASP 112 0.749 -8.801 -17.740 678 HA ASP 112 HA ASP 112 -1.855 -8.401 -19.000 679 1HB ASP 112 1HB ASP 112 -0.803 -6.542 -20.211 680 2HB ASP 112 2HB ASP 112 -0.590 -6.362 -18.475 681 H SER 113 H SER 113 -2.325 -9.883 -20.435 682 HA SER 113 HA SER 113 -0.241 -10.626 -22.378 683 1HB SER 113 1HB SER 113 -2.622 -12.271 -21.475 684 2HB SER 113 2HB SER 113 -1.441 -12.757 -22.691 685 HG SER 113 HG SER 113 0.064 -12.171 -20.736 686 H VAL 114 H VAL 114 -0.629 -9.096 -23.915 687 HA VAL 114 HA VAL 114 -3.325 -8.647 -24.852 688 HB VAL 114 HB VAL 114 -2.244 -7.136 -26.540 689 1HG1 VAL 114 1HG1 VAL 114 -1.635 -5.409 -24.904 690 2HG1 VAL 114 2HG1 VAL 114 -1.545 -6.640 -23.644 691 3HG1 VAL 114 3HG1 VAL 114 -3.089 -6.279 -24.418 692 1HG2 VAL 114 1HG2 VAL 114 0.276 -7.804 -25.011 693 2HG2 VAL 114 2HG2 VAL 114 0.114 -6.527 -26.218 694 3HG2 VAL 114 3HG2 VAL 114 -0.060 -8.217 -26.693 695 H ALA 115 H ALA 115 -4.280 -9.978 -26.168 696 HA ALA 115 HA ALA 115 -2.785 -11.124 -28.409 697 1HB ALA 115 1HB ALA 115 -4.656 -12.701 -26.642 698 2HB ALA 115 2HB ALA 115 -2.901 -12.862 -26.692 699 3HB ALA 115 3HB ALA 115 -3.864 -13.291 -28.105 700 H SER 116 H SER 116 -3.796 -9.470 -29.601 701 HA SER 116 HA SER 116 -6.713 -9.605 -29.823 702 1HB SER 116 1HB SER 116 -4.869 -7.533 -31.035 703 2HB SER 116 2HB SER 116 -6.609 -7.410 -30.771 704 HG SER 116 HG SER 116 -4.523 -6.967 -29.040 705 H VAL 117 H VAL 117 -7.727 -9.866 -31.839 706 HA VAL 117 HA VAL 117 -6.169 -11.256 -33.827 707 HB VAL 117 HB VAL 117 -8.305 -11.430 -35.087 708 1HG1 VAL 117 1HG1 VAL 117 -7.657 -13.152 -33.485 709 2HG1 VAL 117 2HG1 VAL 117 -9.408 -12.950 -33.525 710 3HG1 VAL 117 3HG1 VAL 117 -8.473 -12.270 -32.194 711 1HG2 VAL 117 1HG2 VAL 117 -9.526 -10.034 -32.705 712 2HG2 VAL 117 2HG2 VAL 117 -10.396 -10.716 -34.081 713 3HG2 VAL 117 3HG2 VAL 117 -9.332 -9.328 -34.308 714 H LEU 118 H LEU 118 -5.306 -10.430 -35.611 715 HA LEU 118 HA LEU 118 -5.583 -7.540 -36.005 716 1HB LEU 118 1HB LEU 118 -3.552 -9.460 -37.150 717 2HB LEU 118 2HB LEU 118 -3.517 -7.713 -37.298 718 HG LEU 118 HG LEU 118 -3.244 -9.257 -34.718 719 1HD1 LEU 118 1HD1 LEU 118 -0.926 -8.495 -34.761 720 2HD1 LEU 118 2HD1 LEU 118 -1.197 -7.746 -36.334 721 3HD1 LEU 118 3HD1 LEU 118 -1.299 -9.498 -36.165 722 1HD2 LEU 118 1HD2 LEU 118 -2.960 -6.296 -35.241 723 2HD2 LEU 118 2HD2 LEU 118 -2.733 -7.117 -33.697 724 3HD2 LEU 118 3HD2 LEU 118 -4.331 -7.061 -34.437 725 H GLY 119 H GLY 119 -7.303 -9.937 -37.019 726 1HA GLY 119 1HA GLY 119 -7.187 -9.347 -39.893 727 2HA GLY 119 2HA GLY 119 -7.993 -10.730 -39.165 728 H ASP 120 H ASP 120 -8.580 -7.982 -40.743 729 HA ASP 120 HA ASP 120 -11.055 -7.354 -39.302 730 1HB ASP 120 1HB ASP 120 -11.197 -5.378 -40.722 731 2HB ASP 120 2HB ASP 120 -9.627 -5.444 -39.936 732 H THR 121 H THR 121 -12.838 -6.680 -41.110 733 HA THR 121 HA THR 121 -13.269 -9.206 -42.498 734 HB THR 121 HB THR 121 -15.614 -8.273 -42.829 735 HG1 THR 121 HG1 THR 121 -15.943 -6.659 -40.934 736 1HG2 THR 121 1HG2 THR 121 -15.085 -9.973 -41.168 737 2HG2 THR 121 2HG2 THR 121 -16.279 -8.842 -40.537 738 3HG2 THR 121 3HG2 THR 121 -14.596 -8.724 -40.025 739 H LEU 122 H LEU 122 -12.242 -9.178 -44.391 740 HA LEU 122 HA LEU 122 -12.337 -6.922 -46.173 741 1HB LEU 122 1HB LEU 122 -11.422 -9.756 -46.682 742 2HB LEU 122 2HB LEU 122 -11.147 -8.386 -47.738 743 HG LEU 122 HG LEU 122 -9.931 -7.423 -45.588 744 1HD1 LEU 122 1HD1 LEU 122 -10.467 -9.263 -44.111 745 2HD1 LEU 122 2HD1 LEU 122 -8.728 -9.197 -44.391 746 3HD1 LEU 122 3HD1 LEU 122 -9.707 -10.405 -45.222 747 1HD2 LEU 122 1HD2 LEU 122 -8.745 -9.466 -47.460 748 2HD2 LEU 122 2HD2 LEU 122 -7.823 -8.327 -46.479 749 3HD2 LEU 122 3HD2 LEU 122 -8.890 -7.735 -47.752 750 HA PRO 123 HA PRO 123 -16.214 -8.094 -48.100 751 1HB PRO 123 1HB PRO 123 -15.252 -6.348 -50.271 752 2HB PRO 123 2HB PRO 123 -16.730 -6.232 -49.311 753 1HG PRO 123 1HG PRO 123 -14.700 -4.508 -48.984 754 2HG PRO 123 2HG PRO 123 -15.695 -5.049 -47.620 755 1HD PRO 123 1HD PRO 123 -12.955 -5.929 -48.433 756 2HD PRO 123 2HD PRO 123 -13.610 -5.645 -46.807 757 H PHE 124 H PHE 124 -16.344 -10.005 -49.099 758 HA PHE 124 HA PHE 124 -14.182 -10.923 -50.783 759 1HB PHE 124 1HB PHE 124 -15.351 -12.404 -49.117 760 2HB PHE 124 2HB PHE 124 -16.782 -12.338 -50.139 761 HD1 PHE 124 HD1 PHE 124 -13.267 -13.462 -49.977 762 HD2 PHE 124 HD2 PHE 124 -16.974 -13.703 -52.063 763 HE1 PHE 124 HE1 PHE 124 -12.404 -15.354 -51.285 764 HE2 PHE 124 HE2 PHE 124 -16.111 -15.600 -53.376 765 HZ PHE 124 HZ PHE 124 -13.825 -16.426 -52.986 766 H ALA 125 H ALA 125 -14.125 -10.131 -52.772 767 HA ALA 125 HA ALA 125 -16.552 -10.359 -54.404 768 1HB ALA 125 1HB ALA 125 -16.179 -7.999 -53.898 769 2HB ALA 125 2HB ALA 125 -15.901 -8.328 -55.609 770 3HB ALA 125 3HB ALA 125 -14.532 -8.120 -54.518 Start of MODEL 16 1 H GLN 23 H GLN 23 -2.070 -11.135 -3.427 2 HA GLN 23 HA GLN 23 -2.058 -12.217 -0.694 3 1HB GLN 23 1HB GLN 23 0.275 -11.654 -2.532 4 2HB GLN 23 2HB GLN 23 0.365 -12.417 -0.950 5 1HG GLN 23 1HG GLN 23 -0.957 -14.288 -1.774 6 2HG GLN 23 2HG GLN 23 -1.058 -13.523 -3.357 7 1HE2 GLN 23 1HE2 GLN 23 0.023 -16.098 -2.642 8 2HE2 GLN 23 2HE2 GLN 23 1.683 -16.096 -3.139 9 HA PRO 24 HA PRO 24 -1.872 -7.838 0.459 10 1HB PRO 24 1HB PRO 24 -1.972 -9.002 3.164 11 2HB PRO 24 2HB PRO 24 -3.062 -7.838 2.404 12 1HG PRO 24 1HG PRO 24 -3.822 -10.365 2.862 13 2HG PRO 24 2HG PRO 24 -4.338 -9.486 1.409 14 1HD PRO 24 1HD PRO 24 -2.167 -11.534 1.715 15 2HD PRO 24 2HD PRO 24 -3.386 -11.372 0.432 16 H ASP 25 H ASP 25 -0.361 -6.550 1.666 17 HA ASP 25 HA ASP 25 1.916 -7.666 2.932 18 1HB ASP 25 1HB ASP 25 2.426 -8.453 0.655 19 2HB ASP 25 2HB ASP 25 2.351 -6.794 0.073 20 H GLY 26 H GLY 26 0.678 -5.006 1.010 21 1HA GLY 26 1HA GLY 26 0.916 -3.009 2.866 22 2HA GLY 26 2HA GLY 26 2.481 -3.062 2.065 23 H VAL 27 H VAL 27 0.497 -0.930 2.014 24 HA VAL 27 HA VAL 27 -0.378 -1.045 -0.785 25 HB VAL 27 HB VAL 27 -1.834 0.880 -0.258 26 1HG1 VAL 27 1HG1 VAL 27 -3.438 -0.338 1.111 27 2HG1 VAL 27 2HG1 VAL 27 -2.172 -1.465 1.597 28 3HG1 VAL 27 3HG1 VAL 27 -2.687 -1.391 -0.088 29 1HG2 VAL 27 1HG2 VAL 27 -0.597 1.917 1.522 30 2HG2 VAL 27 2HG2 VAL 27 -0.802 0.498 2.546 31 3HG2 VAL 27 3HG2 VAL 27 -2.199 1.486 2.114 32 H GLN 28 H GLN 28 0.117 0.580 -2.229 33 HA GLN 28 HA GLN 28 2.379 2.291 -1.401 34 1HB GLN 28 1HB GLN 28 3.155 0.590 -2.928 35 2HB GLN 28 2HB GLN 28 1.851 0.938 -4.054 36 1HG GLN 28 1HG GLN 28 2.796 3.001 -4.670 37 2HG GLN 28 2HG GLN 28 3.915 2.977 -3.312 38 1HE2 GLN 28 1HE2 GLN 28 5.748 1.684 -3.422 39 2HE2 GLN 28 2HE2 GLN 28 6.319 1.028 -4.912 40 H ILE 29 H ILE 29 2.515 4.369 -2.268 41 HA ILE 29 HA ILE 29 -0.015 5.653 -2.757 42 HB ILE 29 HB ILE 29 2.749 6.848 -2.992 43 1HG1 ILE 29 1HG1 ILE 29 0.925 6.762 -0.576 44 2HG1 ILE 29 2HG1 ILE 29 2.398 5.819 -0.765 45 1HG2 ILE 29 1HG2 ILE 29 1.595 8.969 -2.562 46 2HG2 ILE 29 2HG2 ILE 29 0.052 8.115 -2.542 47 3HG2 ILE 29 3HG2 ILE 29 1.004 8.179 -4.025 48 1HD1 ILE 29 1HD1 ILE 29 3.717 7.863 -0.813 49 2HD1 ILE 29 2HD1 ILE 29 2.744 7.765 0.657 50 3HD1 ILE 29 3HD1 ILE 29 2.245 8.820 -0.662 51 H ASP 30 H ASP 30 -0.914 5.359 -4.679 52 HA ASP 30 HA ASP 30 0.393 4.860 -7.127 53 1HB ASP 30 1HB ASP 30 -1.955 4.311 -6.810 54 2HB ASP 30 2HB ASP 30 -2.352 5.997 -6.537 55 H SER 31 H SER 31 -1.356 7.759 -6.094 56 HA SER 31 HA SER 31 0.739 9.484 -7.058 57 1HB SER 31 1HB SER 31 -0.876 10.715 -8.598 58 2HB SER 31 2HB SER 31 -0.287 9.156 -9.172 59 HG SER 31 HG SER 31 -2.221 8.233 -8.739 60 H VAL 32 H VAL 32 0.535 11.593 -6.321 61 HA VAL 32 HA VAL 32 -1.473 11.966 -4.222 62 HB VAL 32 HB VAL 32 0.989 13.631 -4.796 63 1HG1 VAL 32 1HG1 VAL 32 -0.714 14.870 -3.603 64 2HG1 VAL 32 2HG1 VAL 32 0.634 14.504 -2.528 65 3HG1 VAL 32 3HG1 VAL 32 -0.862 13.575 -2.415 66 1HG2 VAL 32 1HG2 VAL 32 0.581 11.440 -2.769 67 2HG2 VAL 32 2HG2 VAL 32 1.979 12.512 -2.842 68 3HG2 VAL 32 3HG2 VAL 32 1.655 11.395 -4.167 69 H VAL 33 H VAL 33 -3.234 13.123 -4.738 70 HA VAL 33 HA VAL 33 -3.259 14.694 -7.144 71 HB VAL 33 HB VAL 33 -5.656 15.144 -6.491 72 1HG1 VAL 33 1HG1 VAL 33 -6.412 12.885 -7.065 73 2HG1 VAL 33 2HG1 VAL 33 -4.792 12.269 -6.740 74 3HG1 VAL 33 3HG1 VAL 33 -5.056 13.396 -8.072 75 1HG2 VAL 33 1HG2 VAL 33 -5.492 14.820 -4.091 76 2HG2 VAL 33 2HG2 VAL 33 -5.035 13.134 -4.335 77 3HG2 VAL 33 3HG2 VAL 33 -6.651 13.683 -4.784 78 HA PRO 34 HA PRO 34 -1.797 18.276 -4.985 79 1HB PRO 34 1HB PRO 34 -2.300 19.657 -7.528 80 2HB PRO 34 2HB PRO 34 -0.774 19.374 -6.687 81 1HG PRO 34 1HG PRO 34 -1.376 18.083 -8.954 82 2HG PRO 34 2HG PRO 34 -0.475 17.291 -7.646 83 1HD PRO 34 1HD PRO 34 -3.390 17.074 -8.337 84 2HD PRO 34 2HD PRO 34 -2.233 15.789 -7.919 85 H GLY 35 H GLY 35 -4.787 17.642 -5.155 86 1HA GLY 35 1HA GLY 35 -5.679 20.418 -4.657 87 2HA GLY 35 2HA GLY 35 -6.743 19.171 -5.303 88 H SER 36 H SER 36 -4.473 18.093 -3.046 89 HA SER 36 HA SER 36 -6.347 18.236 -0.804 90 1HB SER 36 1HB SER 36 -5.003 15.685 -1.655 91 2HB SER 36 2HB SER 36 -6.240 15.872 -0.422 92 HG SER 36 HG SER 36 -6.633 16.437 -3.170 93 HA PRO 37 HA PRO 37 -2.610 18.553 1.713 94 1HB PRO 37 1HB PRO 37 -3.248 16.109 3.245 95 2HB PRO 37 2HB PRO 37 -3.051 17.770 3.813 96 1HG PRO 37 1HG PRO 37 -5.463 16.613 3.708 97 2HG PRO 37 2HG PRO 37 -5.247 18.333 3.328 98 1HD PRO 37 1HD PRO 37 -5.581 16.007 1.472 99 2HD PRO 37 2HD PRO 37 -6.292 17.631 1.377 100 H ALA 38 H ALA 38 -0.810 16.991 2.751 101 HA ALA 38 HA ALA 38 0.840 15.457 2.520 102 1HB ALA 38 1HB ALA 38 -0.963 13.805 2.218 103 2HB ALA 38 2HB ALA 38 0.501 13.402 1.322 104 3HB ALA 38 3HB ALA 38 -0.891 14.080 0.478 105 H SER 39 H SER 39 -0.383 17.112 -0.247 106 HA SER 39 HA SER 39 1.482 16.351 -2.196 107 1HB SER 39 1HB SER 39 0.033 18.995 -1.913 108 2HB SER 39 2HB SER 39 0.783 18.377 -3.382 109 HG SER 39 HG SER 39 -1.156 16.824 -2.074 110 H LYS 40 H LYS 40 1.710 18.633 0.434 111 HA LYS 40 HA LYS 40 4.223 19.712 -0.619 112 1HB LYS 40 1HB LYS 40 2.475 21.249 0.256 113 2HB LYS 40 2HB LYS 40 2.643 20.506 1.838 114 1HG LYS 40 1HG LYS 40 3.842 22.565 1.841 115 2HG LYS 40 2HG LYS 40 5.018 21.251 1.864 116 1HD LYS 40 1HD LYS 40 5.739 22.970 0.320 117 2HD LYS 40 2HD LYS 40 5.308 21.510 -0.571 118 1HE LYS 40 1HE LYS 40 3.179 22.460 -1.185 119 2HE LYS 40 2HE LYS 40 3.483 23.879 -0.185 120 1HZ LYS 40 1HZ LYS 40 3.898 24.299 -2.540 121 2HZ LYS 40 2HZ LYS 40 5.085 23.088 -2.559 122 3HZ LYS 40 3HZ LYS 40 5.307 24.483 -1.619 123 H VAL 41 H VAL 41 3.250 17.138 1.199 124 HA VAL 41 HA VAL 41 5.435 17.354 3.151 125 HB VAL 41 HB VAL 41 3.117 15.412 3.132 126 1HG1 VAL 41 1HG1 VAL 41 5.064 14.544 4.305 127 2HG1 VAL 41 2HG1 VAL 41 3.781 14.950 5.445 128 3HG1 VAL 41 3HG1 VAL 41 5.167 16.024 5.257 129 1HG2 VAL 41 1HG2 VAL 41 3.532 17.958 4.695 130 2HG2 VAL 41 2HG2 VAL 41 2.254 16.781 4.998 131 3HG2 VAL 41 3HG2 VAL 41 2.300 17.657 3.467 132 H LEU 42 H LEU 42 3.982 14.958 0.927 133 HA LEU 42 HA LEU 42 6.592 13.627 0.844 134 1HB LEU 42 1HB LEU 42 5.174 11.504 0.526 135 2HB LEU 42 2HB LEU 42 5.458 12.122 2.133 136 HG LEU 42 HG LEU 42 3.166 13.276 1.874 137 1HD1 LEU 42 1HD1 LEU 42 2.910 12.941 -0.524 138 2HD1 LEU 42 2HD1 LEU 42 1.614 12.139 0.366 139 3HD1 LEU 42 3HD1 LEU 42 2.948 11.193 -0.293 140 1HD2 LEU 42 1HD2 LEU 42 3.583 11.445 3.393 141 2HD2 LEU 42 2HD2 LEU 42 3.408 10.284 2.079 142 3HD2 LEU 42 3HD2 LEU 42 2.019 11.233 2.605 143 H THR 43 H THR 43 6.349 11.801 -0.938 144 HA THR 43 HA THR 43 5.326 13.089 -3.378 145 HB THR 43 HB THR 43 7.332 11.840 -4.479 146 HG1 THR 43 HG1 THR 43 8.441 12.261 -1.887 147 1HG2 THR 43 1HG2 THR 43 8.776 13.798 -4.141 148 2HG2 THR 43 2HG2 THR 43 7.761 14.308 -2.793 149 3HG2 THR 43 3HG2 THR 43 7.103 14.272 -4.428 150 HA PRO 44 HA PRO 44 3.321 9.216 -4.182 151 1HB PRO 44 1HB PRO 44 3.225 9.225 -6.892 152 2HB PRO 44 2HB PRO 44 2.215 10.279 -5.893 153 1HG PRO 44 1HG PRO 44 4.771 10.907 -7.321 154 2HG PRO 44 2HG PRO 44 3.283 11.867 -7.220 155 1HD PRO 44 1HD PRO 44 5.455 12.379 -5.683 156 2HD PRO 44 2HD PRO 44 3.796 12.675 -5.125 157 H GLY 45 H GLY 45 3.682 7.078 -4.984 158 1HA GLY 45 1HA GLY 45 5.013 5.428 -6.059 159 2HA GLY 45 2HA GLY 45 6.366 6.550 -6.050 160 H LEU 46 H LEU 46 5.390 7.052 -3.106 161 HA LEU 46 HA LEU 46 7.280 5.215 -1.947 162 1HB LEU 46 1HB LEU 46 5.514 7.328 -0.713 163 2HB LEU 46 2HB LEU 46 6.660 6.361 0.198 164 HG LEU 46 HG LEU 46 7.367 8.272 -2.034 165 1HD1 LEU 46 1HD1 LEU 46 7.716 8.493 0.952 166 2HD1 LEU 46 2HD1 LEU 46 6.625 9.451 -0.050 167 3HD1 LEU 46 3HD1 LEU 46 8.370 9.614 -0.242 168 1HD2 LEU 46 1HD2 LEU 46 8.900 6.376 -1.907 169 2HD2 LEU 46 2HD2 LEU 46 9.128 6.666 -0.182 170 3HD2 LEU 46 3HD2 LEU 46 9.677 7.860 -1.356 171 H VAL 47 H VAL 47 6.698 3.999 0.071 172 HA VAL 47 HA VAL 47 4.156 2.595 -0.393 173 HB VAL 47 HB VAL 47 6.604 1.614 1.095 174 1HG1 VAL 47 1HG1 VAL 47 4.103 0.158 0.241 175 2HG1 VAL 47 2HG1 VAL 47 4.559 0.570 1.893 176 3HG1 VAL 47 3HG1 VAL 47 5.522 -0.588 0.974 177 1HG2 VAL 47 1HG2 VAL 47 6.978 0.162 -0.845 178 2HG2 VAL 47 2HG2 VAL 47 7.087 1.872 -1.269 179 3HG2 VAL 47 3HG2 VAL 47 5.641 0.948 -1.685 180 H ILE 48 H ILE 48 2.640 2.500 1.164 181 HA ILE 48 HA ILE 48 3.068 3.970 3.646 182 HB ILE 48 HB ILE 48 0.578 2.527 2.715 183 1HG1 ILE 48 1HG1 ILE 48 1.423 4.417 1.194 184 2HG1 ILE 48 2HG1 ILE 48 -0.240 4.524 1.763 185 1HG2 ILE 48 1HG2 ILE 48 0.970 4.656 4.811 186 2HG2 ILE 48 2HG2 ILE 48 0.638 2.950 5.106 187 3HG2 ILE 48 3HG2 ILE 48 -0.578 3.962 4.328 188 1HD1 ILE 48 1HD1 ILE 48 0.884 6.677 1.851 189 2HD1 ILE 48 2HD1 ILE 48 2.113 6.002 2.922 190 3HD1 ILE 48 3HD1 ILE 48 0.436 6.119 3.463 191 H GLU 49 H GLU 49 4.271 2.748 5.026 192 HA GLU 49 HA GLU 49 3.949 -0.099 5.150 193 1HB GLU 49 1HB GLU 49 5.586 1.808 6.805 194 2HB GLU 49 2HB GLU 49 5.591 0.068 7.036 195 1HG GLU 49 1HG GLU 49 6.337 -0.162 4.668 196 2HG GLU 49 2HG GLU 49 6.509 1.593 4.617 197 H SER 50 H SER 50 3.230 2.620 7.329 198 HA SER 50 HA SER 50 1.090 1.126 8.509 199 1HB SER 50 1HB SER 50 2.127 1.399 10.860 200 2HB SER 50 2HB SER 50 2.698 0.075 9.848 201 HG SER 50 HG SER 50 4.599 1.017 9.652 202 H ILE 51 H ILE 51 -0.320 2.336 9.644 203 HA ILE 51 HA ILE 51 0.276 5.225 9.851 204 HB ILE 51 HB ILE 51 -2.433 3.911 9.508 205 1HG1 ILE 51 1HG1 ILE 51 -0.839 5.610 7.570 206 2HG1 ILE 51 2HG1 ILE 51 -1.053 3.866 7.450 207 1HG2 ILE 51 1HG2 ILE 51 -3.289 6.192 9.306 208 2HG2 ILE 51 2HG2 ILE 51 -1.672 6.830 9.609 209 3HG2 ILE 51 3HG2 ILE 51 -2.517 5.937 10.872 210 1HD1 ILE 51 1HD1 ILE 51 -3.462 4.198 7.174 211 2HD1 ILE 51 2HD1 ILE 51 -2.529 5.021 5.924 212 3HD1 ILE 51 3HD1 ILE 51 -3.224 5.944 7.258 213 H ASN 52 H ASN 52 0.754 5.642 11.911 214 HA ASN 52 HA ASN 52 0.881 5.477 14.176 215 1HB ASN 52 1HB ASN 52 -2.032 4.738 13.821 216 2HB ASN 52 2HB ASN 52 -1.282 4.989 15.392 217 1HD2 ASN 52 1HD2 ASN 52 -2.472 6.728 15.963 218 2HD2 ASN 52 2HD2 ASN 52 -2.397 8.264 15.171 219 H GLY 53 H GLY 53 -0.579 3.481 15.839 220 1HA GLY 53 1HA GLY 53 1.188 1.258 15.425 221 2HA GLY 53 2HA GLY 53 -0.056 1.386 16.658 222 H MET 54 H MET 54 -0.806 1.835 13.289 223 HA MET 54 HA MET 54 -1.913 -0.885 13.110 224 1HB MET 54 1HB MET 54 -3.241 1.685 12.224 225 2HB MET 54 2HB MET 54 -3.810 0.081 11.795 226 1HG MET 54 1HG MET 54 -4.278 -0.415 14.111 227 2HG MET 54 2HG MET 54 -3.588 1.131 14.605 228 1HE MET 54 1HE MET 54 -4.654 3.012 12.252 229 2HE MET 54 2HE MET 54 -4.654 3.496 13.948 230 3HE MET 54 3HE MET 54 -6.122 3.665 12.981 231 HA PRO 55 HA PRO 55 0.782 -0.309 9.509 232 1HB PRO 55 1HB PRO 55 1.143 -2.925 9.004 233 2HB PRO 55 2HB PRO 55 2.038 -2.075 10.265 234 1HG PRO 55 1HG PRO 55 -0.366 -3.844 10.516 235 2HG PRO 55 2HG PRO 55 1.087 -3.779 11.531 236 1HD PRO 55 1HD PRO 55 -1.261 -2.591 12.224 237 2HD PRO 55 2HD PRO 55 0.322 -1.964 12.724 238 H THR 56 H THR 56 0.456 -0.569 7.287 239 HA THR 56 HA THR 56 -2.269 -1.422 6.598 240 HB THR 56 HB THR 56 -1.872 0.106 4.563 241 HG1 THR 56 HG1 THR 56 0.320 0.544 4.843 242 1HG2 THR 56 1HG2 THR 56 -3.461 0.602 6.360 243 2HG2 THR 56 2HG2 THR 56 -2.644 2.065 5.817 244 3HG2 THR 56 3HG2 THR 56 -2.159 1.294 7.327 245 H SER 57 H SER 57 -1.558 -3.582 6.304 246 HA SER 57 HA SER 57 0.171 -4.130 4.025 247 1HB SER 57 1HB SER 57 -1.331 -6.049 5.829 248 2HB SER 57 2HB SER 57 -0.063 -6.467 4.678 249 HG SER 57 HG SER 57 1.409 -5.295 5.926 250 H ASN 58 H ASN 58 -3.073 -3.534 4.663 251 HA ASN 58 HA ASN 58 -3.905 -4.819 2.140 252 1HB ASN 58 1HB ASN 58 -5.732 -4.345 4.505 253 2HB ASN 58 2HB ASN 58 -6.034 -5.345 3.092 254 1HD2 ASN 58 1HD2 ASN 58 -5.195 -7.412 3.017 255 2HD2 ASN 58 2HD2 ASN 58 -4.501 -8.191 4.401 256 H LEU 59 H LEU 59 -5.771 -3.680 1.099 257 HA LEU 59 HA LEU 59 -5.629 -0.846 1.263 258 1HB LEU 59 1HB LEU 59 -7.393 -2.813 -0.166 259 2HB LEU 59 2HB LEU 59 -7.726 -1.104 -0.215 260 HG LEU 59 HG LEU 59 -5.159 -2.369 -1.162 261 1HD1 LEU 59 1HD1 LEU 59 -7.513 -1.330 -2.738 262 2HD1 LEU 59 2HD1 LEU 59 -7.047 -3.022 -2.563 263 3HD1 LEU 59 3HD1 LEU 59 -5.986 -1.899 -3.413 264 1HD2 LEU 59 1HD2 LEU 59 -4.748 -0.174 -2.166 265 2HD2 LEU 59 2HD2 LEU 59 -4.883 -0.068 -0.411 266 3HD2 LEU 59 3HD2 LEU 59 -6.230 0.440 -1.433 267 H THR 60 H THR 60 -7.637 -3.350 2.590 268 HA THR 60 HA THR 60 -9.771 -1.756 3.550 269 HB THR 60 HB THR 60 -9.795 -3.863 5.212 270 HG1 THR 60 HG1 THR 60 -8.874 -5.658 4.041 271 1HG2 THR 60 1HG2 THR 60 -11.538 -3.333 3.586 272 2HG2 THR 60 2HG2 THR 60 -11.136 -5.048 3.515 273 3HG2 THR 60 3HG2 THR 60 -10.526 -3.946 2.279 274 H THR 61 H THR 61 -6.756 -2.912 5.061 275 HA THR 61 HA THR 61 -7.207 -1.838 7.608 276 HB THR 61 HB THR 61 -4.651 -1.708 7.742 277 HG1 THR 61 HG1 THR 61 -4.269 -1.575 5.473 278 1HG2 THR 61 1HG2 THR 61 -5.982 -4.317 7.009 279 2HG2 THR 61 2HG2 THR 61 -5.898 -3.596 8.618 280 3HG2 THR 61 3HG2 THR 61 -4.425 -4.161 7.827 281 H TYR 62 H TYR 62 -5.834 -0.376 4.704 282 HA TYR 62 HA TYR 62 -5.145 2.137 5.778 283 1HB TYR 62 1HB TYR 62 -4.367 1.417 3.589 284 2HB TYR 62 2HB TYR 62 -6.017 1.322 2.995 285 HD1 TYR 62 HD1 TYR 62 -3.371 3.662 4.096 286 HD2 TYR 62 HD2 TYR 62 -7.106 3.227 2.109 287 HE1 TYR 62 HE1 TYR 62 -3.192 5.972 3.272 288 HE2 TYR 62 HE2 TYR 62 -6.944 5.537 1.282 289 HH TYR 62 HH TYR 62 -4.065 7.346 1.439 290 H SER 63 H SER 63 -8.100 0.884 4.326 291 HA SER 63 HA SER 63 -9.628 3.223 4.420 292 1HB SER 63 1HB SER 63 -10.317 0.307 4.356 293 2HB SER 63 2HB SER 63 -11.515 1.561 4.210 294 HG SER 63 HG SER 63 -9.271 1.292 2.502 295 H ALA 64 H ALA 64 -9.422 0.478 6.633 296 HA ALA 64 HA ALA 64 -11.441 1.325 8.399 297 1HB ALA 64 1HB ALA 64 -10.614 -0.997 8.270 298 2HB ALA 64 2HB ALA 64 -10.604 -0.365 9.917 299 3HB ALA 64 3HB ALA 64 -9.099 -0.473 9.005 300 H ALA 65 H ALA 65 -8.025 2.023 8.207 301 HA ALA 65 HA ALA 65 -7.812 3.216 10.788 302 1HB ALA 65 1HB ALA 65 -5.853 2.384 9.538 303 2HB ALA 65 2HB ALA 65 -5.676 4.070 10.023 304 3HB ALA 65 3HB ALA 65 -6.083 3.670 8.354 305 H LEU 66 H LEU 66 -8.274 4.456 7.514 306 HA LEU 66 HA LEU 66 -8.208 7.183 8.165 307 1HB LEU 66 1HB LEU 66 -8.719 5.507 5.866 308 2HB LEU 66 2HB LEU 66 -9.782 6.889 5.882 309 HG LEU 66 HG LEU 66 -6.767 6.906 5.880 310 1HD1 LEU 66 1HD1 LEU 66 -7.057 8.116 3.763 311 2HD1 LEU 66 2HD1 LEU 66 -8.802 7.900 3.895 312 3HD1 LEU 66 3HD1 LEU 66 -7.752 6.495 3.712 313 1HD2 LEU 66 1HD2 LEU 66 -8.658 9.245 6.104 314 2HD2 LEU 66 2HD2 LEU 66 -6.913 9.351 5.861 315 3HD2 LEU 66 3HD2 LEU 66 -7.559 8.671 7.356 316 H LYS 67 H LYS 67 -10.858 4.846 8.077 317 HA LYS 67 HA LYS 67 -12.917 6.791 8.223 318 1HB LYS 67 1HB LYS 67 -12.905 3.844 8.843 319 2HB LYS 67 2HB LYS 67 -14.355 4.839 8.913 320 1HG LYS 67 1HG LYS 67 -14.071 5.401 6.544 321 2HG LYS 67 2HG LYS 67 -12.636 4.377 6.484 322 1HD LYS 67 1HD LYS 67 -14.532 3.177 5.592 323 2HD LYS 67 2HD LYS 67 -14.030 2.445 7.117 324 1HE LYS 67 1HE LYS 67 -15.838 3.565 8.281 325 2HE LYS 67 2HE LYS 67 -16.302 4.408 6.804 326 1HZ LYS 67 1HZ LYS 67 -16.410 1.471 7.246 327 2HZ LYS 67 2HZ LYS 67 -16.818 2.260 5.799 328 3HZ LYS 67 3HZ LYS 67 -17.741 2.522 7.197 329 H THR 68 H THR 68 -10.841 5.432 10.618 330 HA THR 68 HA THR 68 -12.631 6.177 12.789 331 HB THR 68 HB THR 68 -10.872 5.304 14.301 332 HG1 THR 68 HG1 THR 68 -9.437 5.228 11.909 333 1HG2 THR 68 1HG2 THR 68 -11.658 3.425 12.071 334 2HG2 THR 68 2HG2 THR 68 -12.637 3.826 13.482 335 3HG2 THR 68 3HG2 THR 68 -11.122 2.947 13.682 336 H ILE 69 H ILE 69 -10.251 7.659 10.927 337 HA ILE 69 HA ILE 69 -9.135 9.324 13.000 338 HB ILE 69 HB ILE 69 -8.912 9.652 10.002 339 1HG1 ILE 69 1HG1 ILE 69 -8.066 7.465 10.620 340 2HG1 ILE 69 2HG1 ILE 69 -6.710 8.528 10.254 341 1HG2 ILE 69 1HG2 ILE 69 -8.324 11.668 11.186 342 2HG2 ILE 69 2HG2 ILE 69 -6.864 10.910 10.549 343 3HG2 ILE 69 3HG2 ILE 69 -7.259 10.765 12.263 344 1HD1 ILE 69 1HD1 ILE 69 -6.271 7.139 12.199 345 2HD1 ILE 69 2HD1 ILE 69 -7.687 7.816 13.010 346 3HD1 ILE 69 3HD1 ILE 69 -6.310 8.850 12.625 347 H SER 70 H SER 70 -9.584 11.470 13.397 348 HA SER 70 HA SER 70 -12.161 12.444 12.516 349 1HB SER 70 1HB SER 70 -10.144 13.941 14.193 350 2HB SER 70 2HB SER 70 -11.901 14.117 14.180 351 HG SER 70 HG SER 70 -10.288 12.183 15.411 352 H VAL 71 H VAL 71 -12.424 14.548 11.491 353 HA VAL 71 HA VAL 71 -10.494 15.076 9.433 354 HB VAL 71 HB VAL 71 -12.815 16.832 10.261 355 1HG1 VAL 71 1HG1 VAL 71 -11.361 16.566 7.631 356 2HG1 VAL 71 2HG1 VAL 71 -11.201 17.899 8.775 357 3HG1 VAL 71 3HG1 VAL 71 -12.735 17.622 7.955 358 1HG2 VAL 71 1HG2 VAL 71 -13.619 14.564 9.838 359 2HG2 VAL 71 2HG2 VAL 71 -12.806 14.560 8.272 360 3HG2 VAL 71 3HG2 VAL 71 -14.144 15.671 8.567 361 H GLY 72 H GLY 72 -8.702 16.263 9.672 362 1HA GLY 72 1HA GLY 72 -7.463 18.162 10.300 363 2HA GLY 72 2HA GLY 72 -8.715 18.565 11.468 364 H GLU 73 H GLU 73 -7.606 15.327 11.346 365 HA GLU 73 HA GLU 73 -6.331 15.656 13.960 366 1HB GLU 73 1HB GLU 73 -8.197 13.970 13.535 367 2HB GLU 73 2HB GLU 73 -7.030 13.091 12.572 368 1HG GLU 73 1HG GLU 73 -5.605 12.802 14.521 369 2HG GLU 73 2HG GLU 73 -6.758 13.709 15.500 370 H VAL 74 H VAL 74 -4.244 14.854 14.333 371 HA VAL 74 HA VAL 74 -2.629 14.724 11.890 372 HB VAL 74 HB VAL 74 -1.706 15.143 14.743 373 1HG1 VAL 74 1HG1 VAL 74 -0.200 15.422 12.144 374 2HG1 VAL 74 2HG1 VAL 74 -0.002 14.121 13.316 375 3HG1 VAL 74 3HG1 VAL 74 0.431 15.773 13.753 376 1HG2 VAL 74 1HG2 VAL 74 -3.052 17.018 13.950 377 2HG2 VAL 74 2HG2 VAL 74 -2.050 17.137 12.504 378 3HG2 VAL 74 3HG2 VAL 74 -1.355 17.475 14.089 379 H ILE 75 H ILE 75 -2.260 12.760 11.181 380 HA ILE 75 HA ILE 75 -1.941 10.560 13.099 381 HB ILE 75 HB ILE 75 -2.256 9.063 11.118 382 1HG1 ILE 75 1HG1 ILE 75 -3.003 11.655 9.738 383 2HG1 ILE 75 2HG1 ILE 75 -1.586 10.676 9.379 384 1HG2 ILE 75 1HG2 ILE 75 -4.496 11.006 11.665 385 2HG2 ILE 75 2HG2 ILE 75 -4.082 9.604 12.653 386 3HG2 ILE 75 3HG2 ILE 75 -4.666 9.380 11.005 387 1HD1 ILE 75 1HD1 ILE 75 -3.365 10.347 7.746 388 2HD1 ILE 75 2HD1 ILE 75 -4.447 9.805 9.028 389 3HD1 ILE 75 3HD1 ILE 75 -3.013 8.862 8.626 390 H ASN 76 H ASN 76 -0.352 8.870 12.462 391 HA ASN 76 HA ASN 76 2.097 10.154 11.447 392 1HB ASN 76 1HB ASN 76 2.408 9.811 13.759 393 2HB ASN 76 2HB ASN 76 1.650 8.226 13.710 394 1HD2 ASN 76 1HD2 ASN 76 2.869 6.469 13.364 395 2HD2 ASN 76 2HD2 ASN 76 4.581 6.505 13.077 396 H ILE 77 H ILE 77 2.793 9.350 9.603 397 HA ILE 77 HA ILE 77 2.053 6.575 8.907 398 HB ILE 77 HB ILE 77 2.618 8.837 6.973 399 1HG1 ILE 77 1HG1 ILE 77 0.106 8.339 6.410 400 2HG1 ILE 77 2HG1 ILE 77 0.054 7.726 8.061 401 1HG2 ILE 77 1HG2 ILE 77 1.755 7.255 5.284 402 2HG2 ILE 77 2HG2 ILE 77 1.682 6.009 6.528 403 3HG2 ILE 77 3HG2 ILE 77 3.237 6.699 6.062 404 1HD1 ILE 77 1HD1 ILE 77 0.801 9.900 8.885 405 2HD1 ILE 77 2HD1 ILE 77 -0.693 10.033 7.956 406 3HD1 ILE 77 3HD1 ILE 77 0.843 10.514 7.231 407 H THR 78 H THR 78 3.676 5.242 8.946 408 HA THR 78 HA THR 78 6.401 6.204 8.592 409 HB THR 78 HB THR 78 5.445 3.399 9.228 410 HG1 THR 78 HG1 THR 78 5.114 4.167 11.171 411 1HG2 THR 78 1HG2 THR 78 7.706 3.487 8.288 412 2HG2 THR 78 2HG2 THR 78 7.748 3.045 9.994 413 3HG2 THR 78 3HG2 THR 78 8.166 4.686 9.498 414 H THR 79 H THR 79 7.236 6.253 6.601 415 HA THR 79 HA THR 79 6.214 4.331 4.609 416 HB THR 79 HB THR 79 6.845 5.934 2.865 417 HG1 THR 79 HG1 THR 79 7.948 7.280 5.046 418 1HG2 THR 79 1HG2 THR 79 4.572 6.036 3.768 419 2HG2 THR 79 2HG2 THR 79 5.135 7.635 3.287 420 3HG2 THR 79 3HG2 THR 79 5.105 7.187 4.992 421 H ASP 80 H ASP 80 7.868 3.956 2.832 422 HA ASP 80 HA ASP 80 10.076 2.608 3.790 423 1HB ASP 80 1HB ASP 80 9.261 2.137 1.598 424 2HB ASP 80 2HB ASP 80 9.517 3.799 1.076 425 H GLN 81 H GLN 81 9.864 5.962 2.686 426 HA GLN 81 HA GLN 81 12.758 6.211 3.114 427 1HB GLN 81 1HB GLN 81 11.698 6.615 0.809 428 2HB GLN 81 2HB GLN 81 11.088 8.110 1.497 429 1HG GLN 81 1HG GLN 81 13.158 8.427 0.230 430 2HG GLN 81 2HG GLN 81 13.324 8.886 1.923 431 1HE2 GLN 81 1HE2 GLN 81 13.285 5.550 0.840 432 2HE2 GLN 81 2HE2 GLN 81 14.942 5.222 1.206 433 H GLY 82 H GLY 82 10.656 6.446 5.203 434 1HA GLY 82 1HA GLY 82 11.721 8.000 6.990 435 2HA GLY 82 2HA GLY 82 11.070 9.258 5.954 436 H THR 83 H THR 83 10.249 9.422 8.391 437 HA THR 83 HA THR 83 7.557 8.223 8.432 438 HB THR 83 HB THR 83 9.043 9.253 10.851 439 HG1 THR 83 HG1 THR 83 8.809 6.495 10.353 440 1HG2 THR 83 1HG2 THR 83 6.683 7.392 10.521 441 2HG2 THR 83 2HG2 THR 83 6.631 9.057 11.101 442 3HG2 THR 83 3HG2 THR 83 7.440 7.815 12.057 443 H PHE 84 H PHE 84 5.936 9.652 8.212 444 HA PHE 84 HA PHE 84 6.546 12.499 8.685 445 1HB PHE 84 1HB PHE 84 4.693 11.379 6.575 446 2HB PHE 84 2HB PHE 84 5.090 13.071 6.822 447 HD1 PHE 84 HD1 PHE 84 7.303 13.929 6.223 448 HD2 PHE 84 HD2 PHE 84 6.164 9.914 5.385 449 HE1 PHE 84 HE1 PHE 84 9.162 13.737 4.625 450 HE2 PHE 84 HE2 PHE 84 8.025 9.714 3.787 451 HZ PHE 84 HZ PHE 84 9.527 11.628 3.405 452 H HIS 85 H HIS 85 4.834 13.795 9.415 453 HA HIS 85 HA HIS 85 2.534 12.318 10.479 454 1HB HIS 85 1HB HIS 85 2.265 14.084 12.136 455 2HB HIS 85 2HB HIS 85 3.861 13.376 12.246 456 HD1 HIS 85 HD1 HIS 85 5.871 14.891 11.388 457 HD2 HIS 85 HD2 HIS 85 2.178 16.789 11.669 458 HE1 HIS 85 HE1 HIS 85 6.366 17.360 11.342 459 HE2 HIS 85 HE2 HIS 85 4.137 18.479 11.711 460 H LEU 86 H LEU 86 0.559 12.881 9.844 461 HA LEU 86 HA LEU 86 0.396 15.069 7.876 462 1HB LEU 86 1HB LEU 86 0.464 12.582 7.082 463 2HB LEU 86 2HB LEU 86 -1.199 12.556 7.616 464 HG LEU 86 HG LEU 86 -0.239 14.594 5.631 465 1HD1 LEU 86 1HD1 LEU 86 -1.025 13.071 3.871 466 2HD1 LEU 86 2HD1 LEU 86 -1.236 11.804 5.079 467 3HD1 LEU 86 3HD1 LEU 86 0.375 12.435 4.731 468 1HD2 LEU 86 1HD2 LEU 86 -2.937 13.361 6.182 469 2HD2 LEU 86 2HD2 LEU 86 -2.587 14.573 4.953 470 3HD2 LEU 86 3HD2 LEU 86 -2.420 14.978 6.660 471 H LYS 87 H LYS 87 -1.348 16.326 7.985 472 HA LYS 87 HA LYS 87 -3.255 15.771 10.145 473 1HB LYS 87 1HB LYS 87 -1.986 17.925 10.240 474 2HB LYS 87 2HB LYS 87 -2.759 18.400 8.735 475 1HG LYS 87 1HG LYS 87 -4.888 18.499 9.746 476 2HG LYS 87 2HG LYS 87 -4.317 17.673 11.198 477 1HD LYS 87 1HD LYS 87 -2.818 19.609 11.634 478 2HD LYS 87 2HD LYS 87 -3.555 20.437 10.260 479 1HE LYS 87 1HE LYS 87 -5.684 20.461 11.328 480 2HE LYS 87 2HE LYS 87 -5.119 19.398 12.615 481 1HZ LYS 87 1HZ LYS 87 -4.206 22.181 12.116 482 2HZ LYS 87 2HZ LYS 87 -3.591 21.152 13.316 483 3HZ LYS 87 3HZ LYS 87 -5.207 21.662 13.386 484 H THR 88 H THR 88 -5.072 14.893 9.506 485 HA THR 88 HA THR 88 -5.684 14.442 6.817 486 HB THR 88 HB THR 88 -7.911 13.666 7.718 487 HG1 THR 88 HG1 THR 88 -7.945 13.569 10.076 488 1HG2 THR 88 1HG2 THR 88 -5.967 12.175 7.483 489 2HG2 THR 88 2HG2 THR 88 -6.945 11.753 8.887 490 3HG2 THR 88 3HG2 THR 88 -5.430 12.629 9.100 491 H GLY 89 H GLY 89 -7.117 15.274 5.400 492 1HA GLY 89 1HA GLY 89 -8.696 17.612 6.254 493 2HA GLY 89 2HA GLY 89 -7.734 17.667 4.780 494 H ARG 90 H ARG 90 -9.197 17.711 3.181 495 HA ARG 90 HA ARG 90 -10.680 15.291 2.703 496 1HB ARG 90 1HB ARG 90 -12.868 16.329 2.403 497 2HB ARG 90 2HB ARG 90 -12.319 16.527 4.058 498 1HG ARG 90 1HG ARG 90 -11.983 18.682 1.997 499 2HG ARG 90 2HG ARG 90 -13.455 18.508 2.955 500 1HD ARG 90 1HD ARG 90 -12.120 18.713 5.009 501 2HD ARG 90 2HD ARG 90 -10.667 18.925 4.032 502 HE ARG 90 HE ARG 90 -12.743 20.808 3.408 503 1HH1 ARG 90 1HH1 ARG 90 -10.027 20.149 5.527 504 2HH1 ARG 90 2HH1 ARG 90 -9.756 21.825 5.892 505 1HH2 ARG 90 1HH2 ARG 90 -12.383 22.990 3.890 506 2HH2 ARG 90 2HH2 ARG 90 -11.078 23.431 4.953 507 H ASN 91 H ASN 91 -11.604 15.259 0.516 508 HA ASN 91 HA ASN 91 -9.859 16.807 -1.253 509 1HB ASN 91 1HB ASN 91 -9.642 14.425 -1.510 510 2HB ASN 91 2HB ASN 91 -11.381 14.238 -1.710 511 1HD2 ASN 91 1HD2 ASN 91 -8.419 15.315 -3.195 512 2HD2 ASN 91 2HD2 ASN 91 -9.021 15.333 -4.824 513 HA PRO 92 HA PRO 92 -14.063 17.560 -3.410 514 1HB PRO 92 1HB PRO 92 -16.195 16.507 -1.730 515 2HB PRO 92 2HB PRO 92 -15.828 16.143 -3.418 516 1HG PRO 92 1HG PRO 92 -15.495 14.343 -1.418 517 2HG PRO 92 2HG PRO 92 -14.482 14.362 -2.872 518 1HD PRO 92 1HD PRO 92 -13.895 15.437 -0.137 519 2HD PRO 92 2HD PRO 92 -12.837 14.531 -1.242 520 H ASN 93 H ASN 93 -13.977 17.661 0.064 521 HA ASN 93 HA ASN 93 -14.639 19.136 1.645 522 1HB ASN 93 1HB ASN 93 -13.156 20.656 0.315 523 2HB ASN 93 2HB ASN 93 -14.580 21.202 -0.562 524 1HD2 ASN 93 1HD2 ASN 93 -16.031 22.572 0.430 525 2HD2 ASN 93 2HD2 ASN 93 -15.701 23.344 1.945 526 H ASN 94 H ASN 94 -16.606 17.934 1.655 527 HA ASN 94 HA ASN 94 -18.920 19.631 1.119 528 1HB ASN 94 1HB ASN 94 -20.164 17.764 0.083 529 2HB ASN 94 2HB ASN 94 -18.757 18.203 -0.874 530 1HD2 ASN 94 1HD2 ASN 94 -20.249 15.727 -0.873 531 2HD2 ASN 94 2HD2 ASN 94 -19.126 14.479 -0.467 532 H SER 95 H SER 95 -17.844 19.342 3.539 533 HA SER 95 HA SER 95 -17.909 18.469 5.633 534 1HB SER 95 1HB SER 95 -20.685 17.569 4.810 535 2HB SER 95 2HB SER 95 -20.084 17.695 6.463 536 HG SER 95 HG SER 95 -19.873 19.959 4.855 537 H SER 96 H SER 96 -16.249 17.032 4.958 538 HA SER 96 HA SER 96 -17.110 14.326 4.199 539 1HB SER 96 1HB SER 96 -14.328 15.435 3.877 540 2HB SER 96 2HB SER 96 -15.103 14.124 2.988 541 HG SER 96 HG SER 96 -16.394 15.628 1.932 542 H ARG 97 H ARG 97 -15.234 12.695 4.812 543 HA ARG 97 HA ARG 97 -14.579 13.088 7.640 544 1HB ARG 97 1HB ARG 97 -15.849 11.043 7.080 545 2HB ARG 97 2HB ARG 97 -14.586 10.564 5.958 546 1HG ARG 97 1HG ARG 97 -13.022 10.274 7.750 547 2HG ARG 97 2HG ARG 97 -14.174 10.932 8.910 548 1HD ARG 97 1HD ARG 97 -14.745 8.472 7.279 549 2HD ARG 97 2HD ARG 97 -13.929 8.405 8.841 550 HE ARG 97 HE ARG 97 -16.064 9.699 9.595 551 1HH1 ARG 97 1HH1 ARG 97 -15.905 7.126 7.239 552 2HH1 ARG 97 2HH1 ARG 97 -17.495 6.516 7.585 553 1HH2 ARG 97 1HH2 ARG 97 -18.155 8.887 10.087 554 2HH2 ARG 97 2HH2 ARG 97 -18.761 7.508 9.229 555 H ALA 98 H ALA 98 -12.393 12.065 8.228 556 HA ALA 98 HA ALA 98 -10.299 13.490 7.253 557 1HB ALA 98 1HB ALA 98 -10.155 10.694 8.359 558 2HB ALA 98 2HB ALA 98 -10.243 12.176 9.311 559 3HB ALA 98 3HB ALA 98 -8.833 11.859 8.300 560 H TYR 99 H TYR 99 -9.485 13.649 5.289 561 HA TYR 99 HA TYR 99 -9.129 11.188 3.704 562 1HB TYR 99 1HB TYR 99 -10.801 12.997 2.887 563 2HB TYR 99 2HB TYR 99 -9.369 13.945 2.510 564 HD1 TYR 99 HD1 TYR 99 -7.894 13.286 0.679 565 HD2 TYR 99 HD2 TYR 99 -11.372 11.025 1.612 566 HE1 TYR 99 HE1 TYR 99 -7.726 12.148 -1.495 567 HE2 TYR 99 HE2 TYR 99 -11.215 9.877 -0.556 568 HH TYR 99 HH TYR 99 -10.222 10.384 -2.839 569 H MET 100 H MET 100 -7.106 10.792 2.942 570 HA MET 100 HA MET 100 -4.952 12.316 4.073 571 1HB MET 100 1HB MET 100 -4.846 9.865 3.931 572 2HB MET 100 2HB MET 100 -4.875 9.966 2.174 573 1HG MET 100 1HG MET 100 -2.737 11.049 2.144 574 2HG MET 100 2HG MET 100 -2.723 11.159 3.903 575 1HE MET 100 1HE MET 100 -3.862 8.313 4.782 576 2HE MET 100 2HE MET 100 -2.462 9.090 5.520 577 3HE MET 100 3HE MET 100 -2.354 7.418 4.975 578 H GLY 101 H GLY 101 -5.875 11.512 0.707 579 1HA GLY 101 1HA GLY 101 -6.040 13.443 -0.815 580 2HA GLY 101 2HA GLY 101 -4.566 14.041 -0.072 581 H ILE 102 H ILE 102 -4.650 10.666 -0.625 582 HA ILE 102 HA ILE 102 -3.178 10.988 -3.157 583 HB ILE 102 HB ILE 102 -1.590 9.286 -2.511 584 1HG1 ILE 102 1HG1 ILE 102 -2.949 9.224 0.197 585 2HG1 ILE 102 2HG1 ILE 102 -3.177 8.004 -1.049 586 1HG2 ILE 102 1HG2 ILE 102 -1.035 11.581 -1.916 587 2HG2 ILE 102 2HG2 ILE 102 -0.374 10.451 -0.737 588 3HG2 ILE 102 3HG2 ILE 102 -1.823 11.381 -0.352 589 1HD1 ILE 102 1HD1 ILE 102 -0.582 8.669 0.314 590 2HD1 ILE 102 2HD1 ILE 102 -0.808 7.446 -0.936 591 3HD1 ILE 102 3HD1 ILE 102 -1.598 7.263 0.632 592 H ARG 103 H ARG 103 -3.362 9.298 -4.615 593 HA ARG 103 HA ARG 103 -5.533 7.420 -4.257 594 1HB ARG 103 1HB ARG 103 -3.576 8.015 -6.470 595 2HB ARG 103 2HB ARG 103 -4.522 6.536 -6.500 596 1HG ARG 103 1HG ARG 103 -6.557 7.725 -6.642 597 2HG ARG 103 2HG ARG 103 -5.772 9.251 -6.246 598 1HD ARG 103 1HD ARG 103 -6.356 8.984 -8.656 599 2HD ARG 103 2HD ARG 103 -4.652 9.309 -8.351 600 HE ARG 103 HE ARG 103 -4.138 7.073 -8.945 601 1HH1 ARG 103 1HH1 ARG 103 -7.556 7.808 -9.289 602 2HH1 ARG 103 2HH1 ARG 103 -7.839 6.554 -10.461 603 1HH2 ARG 103 1HH2 ARG 103 -4.507 5.432 -10.504 604 2HH2 ARG 103 2HH2 ARG 103 -6.106 5.196 -11.148 605 H THR 104 H THR 104 -5.269 5.478 -3.325 606 HA THR 104 HA THR 104 -2.508 4.520 -2.990 607 HB THR 104 HB THR 104 -4.727 3.569 -1.237 608 HG1 THR 104 HG1 THR 104 -4.962 5.790 -1.042 609 1HG2 THR 104 1HG2 THR 104 -2.519 2.538 -1.059 610 2HG2 THR 104 2HG2 THR 104 -2.917 3.428 0.411 611 3HG2 THR 104 3HG2 THR 104 -1.797 4.120 -0.762 612 H SER 105 H SER 105 -2.088 2.344 -3.256 613 HA SER 105 HA SER 105 -4.189 0.482 -3.951 614 1HB SER 105 1HB SER 105 -2.029 1.176 -5.965 615 2HB SER 105 2HB SER 105 -3.186 -0.141 -6.121 616 HG SER 105 HG SER 105 -4.231 2.401 -5.674 617 H ASN 106 H ASN 106 -3.293 -1.723 -4.112 618 HA ASN 106 HA ASN 106 -1.229 -2.163 -2.203 619 1HB ASN 106 1HB ASN 106 -2.733 -3.997 -4.071 620 2HB ASN 106 2HB ASN 106 -1.440 -4.587 -3.031 621 1HD2 ASN 106 1HD2 ASN 106 -4.337 -5.170 -3.097 622 2HD2 ASN 106 2HD2 ASN 106 -4.894 -4.843 -1.492 623 H HIS 107 H HIS 107 -1.451 -2.042 -5.671 624 HA HIS 107 HA HIS 107 0.065 -2.149 -7.368 625 1HB HIS 107 1HB HIS 107 0.876 -0.165 -5.943 626 2HB HIS 107 2HB HIS 107 2.127 -1.250 -5.351 627 HD1 HIS 107 HD1 HIS 107 3.889 -2.087 -7.137 628 HD2 HIS 107 HD2 HIS 107 1.329 0.916 -8.444 629 HE1 HIS 107 HE1 HIS 107 4.966 -1.130 -9.198 630 HE2 HIS 107 HE2 HIS 107 3.391 0.674 -9.995 631 H LEU 108 H LEU 108 -0.407 -4.546 -6.091 632 HA LEU 108 HA LEU 108 1.975 -5.872 -5.299 633 1HB LEU 108 1HB LEU 108 -0.719 -6.942 -6.132 634 2HB LEU 108 2HB LEU 108 0.585 -7.941 -5.516 635 HG LEU 108 HG LEU 108 -0.570 -5.658 -3.971 636 1HD1 LEU 108 1HD1 LEU 108 -2.355 -7.239 -4.438 637 2HD1 LEU 108 2HD1 LEU 108 -1.886 -7.311 -2.739 638 3HD1 LEU 108 3HD1 LEU 108 -1.345 -8.563 -3.856 639 1HD2 LEU 108 1HD2 LEU 108 1.624 -6.360 -3.241 640 2HD2 LEU 108 2HD2 LEU 108 1.084 -8.038 -3.165 641 3HD2 LEU 108 3HD2 LEU 108 0.411 -6.844 -2.055 642 H ARG 109 H ARG 109 2.499 -7.995 -6.387 643 HA ARG 109 HA ARG 109 3.365 -7.367 -9.057 644 1HB ARG 109 1HB ARG 109 3.827 -9.726 -7.248 645 2HB ARG 109 2HB ARG 109 4.379 -9.711 -8.920 646 1HG ARG 109 1HG ARG 109 5.666 -7.663 -8.441 647 2HG ARG 109 2HG ARG 109 5.163 -7.770 -6.755 648 1HD ARG 109 1HD ARG 109 6.641 -9.967 -8.183 649 2HD ARG 109 2HD ARG 109 7.448 -8.686 -7.280 650 HE ARG 109 HE ARG 109 5.459 -10.013 -5.718 651 1HH1 ARG 109 1HH1 ARG 109 8.750 -10.264 -6.911 652 2HH1 ARG 109 2HH1 ARG 109 9.282 -11.253 -5.586 653 1HH2 ARG 109 1HH2 ARG 109 6.158 -11.340 -3.992 654 2HH2 ARG 109 2HH2 ARG 109 7.821 -11.856 -3.927 655 H VAL 110 H VAL 110 2.999 -8.700 -10.895 656 HA VAL 110 HA VAL 110 0.172 -9.205 -11.078 657 HB VAL 110 HB VAL 110 1.246 -7.889 -12.809 658 1HG1 VAL 110 1HG1 VAL 110 2.789 -10.382 -13.498 659 2HG1 VAL 110 2HG1 VAL 110 3.451 -8.920 -12.765 660 3HG1 VAL 110 3HG1 VAL 110 2.802 -8.868 -14.405 661 1HG2 VAL 110 1HG2 VAL 110 -0.743 -9.148 -13.410 662 2HG2 VAL 110 2HG2 VAL 110 0.251 -10.532 -13.863 663 3HG2 VAL 110 3HG2 VAL 110 0.356 -9.030 -14.784 664 H ARG 111 H ARG 111 -0.833 -11.057 -11.446 665 HA ARG 111 HA ARG 111 0.734 -13.450 -12.063 666 1HB ARG 111 1HB ARG 111 0.255 -13.608 -9.688 667 2HB ARG 111 2HB ARG 111 -1.444 -13.247 -9.969 668 1HG ARG 111 1HG ARG 111 -1.846 -15.336 -10.940 669 2HG ARG 111 2HG ARG 111 -0.126 -15.658 -11.169 670 1HD ARG 111 1HD ARG 111 0.201 -15.938 -8.814 671 2HD ARG 111 2HD ARG 111 -1.438 -15.384 -8.471 672 HE ARG 111 HE ARG 111 -2.165 -17.504 -8.826 673 1HH1 ARG 111 1HH1 ARG 111 0.930 -17.164 -10.450 674 2HH1 ARG 111 2HH1 ARG 111 0.957 -18.802 -11.009 675 1HH2 ARG 111 1HH2 ARG 111 -2.099 -19.664 -9.520 676 2HH2 ARG 111 2HH2 ARG 111 -0.768 -20.232 -10.479 677 H ASP 112 H ASP 112 -0.390 -14.977 -13.356 678 HA ASP 112 HA ASP 112 -2.175 -13.597 -15.151 679 1HB ASP 112 1HB ASP 112 -1.813 -15.503 -16.649 680 2HB ASP 112 2HB ASP 112 -0.286 -14.877 -16.039 681 H SER 113 H SER 113 -3.188 -14.497 -12.519 682 HA SER 113 HA SER 113 -5.239 -16.433 -13.277 683 1HB SER 113 1HB SER 113 -4.793 -15.020 -10.635 684 2HB SER 113 2HB SER 113 -5.920 -16.343 -10.925 685 HG SER 113 HG SER 113 -3.472 -17.069 -11.765 686 H VAL 114 H VAL 114 -6.095 -14.942 -14.900 687 HA VAL 114 HA VAL 114 -7.020 -12.356 -14.213 688 HB VAL 114 HB VAL 114 -8.207 -12.427 -16.416 689 1HG1 VAL 114 1HG1 VAL 114 -5.300 -13.239 -16.400 690 2HG1 VAL 114 2HG1 VAL 114 -5.930 -11.602 -16.225 691 3HG1 VAL 114 3HG1 VAL 114 -6.139 -12.469 -17.747 692 1HG2 VAL 114 1HG2 VAL 114 -6.987 -15.189 -16.591 693 2HG2 VAL 114 2HG2 VAL 114 -7.746 -14.320 -17.925 694 3HG2 VAL 114 3HG2 VAL 114 -8.709 -14.812 -16.531 695 H ALA 115 H ALA 115 -8.836 -11.682 -13.341 696 HA ALA 115 HA ALA 115 -11.281 -13.224 -13.548 697 1HB ALA 115 1HB ALA 115 -10.290 -14.194 -11.560 698 2HB ALA 115 2HB ALA 115 -11.681 -13.204 -11.113 699 3HB ALA 115 3HB ALA 115 -10.047 -12.590 -10.867 700 H SER 116 H SER 116 -12.868 -11.828 -13.967 701 HA SER 116 HA SER 116 -12.888 -9.220 -12.648 702 1HB SER 116 1HB SER 116 -13.313 -9.604 -15.626 703 2HB SER 116 2HB SER 116 -13.469 -8.082 -14.749 704 HG SER 116 HG SER 116 -11.101 -9.022 -14.136 705 H VAL 117 H VAL 117 -14.371 -10.845 -11.516 706 HA VAL 117 HA VAL 117 -16.963 -11.126 -12.870 707 HB VAL 117 HB VAL 117 -16.016 -12.484 -10.346 708 1HG1 VAL 117 1HG1 VAL 117 -18.360 -13.032 -12.159 709 2HG1 VAL 117 2HG1 VAL 117 -18.431 -12.366 -10.528 710 3HG1 VAL 117 3HG1 VAL 117 -17.883 -14.022 -10.779 711 1HG2 VAL 117 1HG2 VAL 117 -14.612 -13.155 -12.213 712 2HG2 VAL 117 2HG2 VAL 117 -16.042 -13.526 -13.174 713 3HG2 VAL 117 3HG2 VAL 117 -15.675 -14.481 -11.736 714 H LEU 118 H LEU 118 -18.829 -10.326 -11.948 715 HA LEU 118 HA LEU 118 -18.455 -8.108 -10.133 716 1HB LEU 118 1HB LEU 118 -20.960 -9.201 -11.409 717 2HB LEU 118 2HB LEU 118 -20.840 -7.688 -10.534 718 HG LEU 118 HG LEU 118 -19.364 -8.300 -13.094 719 1HD1 LEU 118 1HD1 LEU 118 -21.778 -8.196 -13.453 720 2HD1 LEU 118 2HD1 LEU 118 -20.962 -6.805 -14.164 721 3HD1 LEU 118 3HD1 LEU 118 -21.835 -6.633 -12.642 722 1HD2 LEU 118 1HD2 LEU 118 -18.920 -5.890 -13.101 723 2HD2 LEU 118 2HD2 LEU 118 -18.224 -6.677 -11.685 724 3HD2 LEU 118 3HD2 LEU 118 -19.712 -5.742 -11.535 725 H GLY 119 H GLY 119 -19.800 -11.336 -10.069 726 1HA GLY 119 1HA GLY 119 -20.480 -12.639 -8.293 727 2HA GLY 119 2HA GLY 119 -19.891 -11.382 -7.210 728 H ASP 120 H ASP 120 -22.424 -11.674 -9.674 729 HA ASP 120 HA ASP 120 -24.030 -9.681 -8.429 730 1HB ASP 120 1HB ASP 120 -24.651 -11.607 -10.676 731 2HB ASP 120 2HB ASP 120 -25.713 -10.300 -10.164 732 H THR 121 H THR 121 -25.374 -9.901 -6.820 733 HA THR 121 HA THR 121 -26.829 -12.439 -6.550 734 HB THR 121 HB THR 121 -25.329 -12.359 -4.680 735 HG1 THR 121 HG1 THR 121 -27.593 -12.908 -4.270 736 1HG2 THR 121 1HG2 THR 121 -26.391 -9.599 -4.074 737 2HG2 THR 121 2HG2 THR 121 -24.790 -9.974 -4.708 738 3HG2 THR 121 3HG2 THR 121 -25.240 -10.506 -3.090 739 H LEU 122 H LEU 122 -28.811 -12.066 -7.249 740 HA LEU 122 HA LEU 122 -29.924 -9.441 -7.371 741 1HB LEU 122 1HB LEU 122 -31.168 -12.132 -7.915 742 2HB LEU 122 2HB LEU 122 -31.936 -10.592 -8.249 743 HG LEU 122 HG LEU 122 -29.407 -11.623 -9.545 744 1HD1 LEU 122 1HD1 LEU 122 -31.438 -12.769 -10.294 745 2HD1 LEU 122 2HD1 LEU 122 -30.764 -11.746 -11.565 746 3HD1 LEU 122 3HD1 LEU 122 -32.179 -11.211 -10.658 747 1HD2 LEU 122 1HD2 LEU 122 -29.358 -9.197 -9.291 748 2HD2 LEU 122 2HD2 LEU 122 -30.959 -9.077 -10.019 749 3HD2 LEU 122 3HD2 LEU 122 -29.595 -9.642 -10.983 750 HA PRO 123 HA PRO 123 -31.606 -9.445 -3.253 751 1HB PRO 123 1HB PRO 123 -33.069 -7.062 -4.170 752 2HB PRO 123 2HB PRO 123 -31.870 -7.216 -2.882 753 1HG PRO 123 1HG PRO 123 -31.324 -5.953 -5.195 754 2HG PRO 123 2HG PRO 123 -30.095 -6.879 -4.314 755 1HD PRO 123 1HD PRO 123 -31.675 -7.650 -6.740 756 2HD PRO 123 2HD PRO 123 -29.961 -7.935 -6.368 757 H PHE 124 H PHE 124 -33.468 -10.130 -2.332 758 HA PHE 124 HA PHE 124 -35.697 -10.743 -4.135 759 1HB PHE 124 1HB PHE 124 -34.674 -12.513 -2.621 760 2HB PHE 124 2HB PHE 124 -35.352 -11.623 -1.263 761 HD1 PHE 124 HD1 PHE 124 -37.738 -11.610 -0.852 762 HD2 PHE 124 HD2 PHE 124 -36.082 -13.731 -4.145 763 HE1 PHE 124 HE1 PHE 124 -39.858 -12.824 -1.129 764 HE2 PHE 124 HE2 PHE 124 -38.199 -14.947 -4.432 765 HZ PHE 124 HZ PHE 124 -40.090 -14.494 -2.925 766 H ALA 125 H ALA 125 -36.860 -8.900 -4.333 767 HA ALA 125 HA ALA 125 -37.860 -7.658 -1.854 768 1HB ALA 125 1HB ALA 125 -36.108 -6.242 -2.806 769 2HB ALA 125 2HB ALA 125 -37.687 -5.460 -2.907 770 3HB ALA 125 3HB ALA 125 -36.973 -6.198 -4.340 Start of MODEL 17 1 H GLN 23 H GLN 23 -4.265 -9.889 -3.466 2 HA GLN 23 HA GLN 23 -1.598 -10.775 -2.569 3 1HB GLN 23 1HB GLN 23 -2.140 -8.899 -4.862 4 2HB GLN 23 2HB GLN 23 -0.653 -9.761 -4.496 5 1HG GLN 23 1HG GLN 23 -1.751 -11.876 -5.044 6 2HG GLN 23 2HG GLN 23 -3.232 -10.998 -5.432 7 1HE2 GLN 23 1HE2 GLN 23 -0.034 -11.806 -6.429 8 2HE2 GLN 23 2HE2 GLN 23 -0.145 -11.165 -8.034 9 HA PRO 24 HA PRO 24 -1.734 -6.689 -0.597 10 1HB PRO 24 1HB PRO 24 -1.642 -7.456 1.969 11 2HB PRO 24 2HB PRO 24 -3.157 -7.450 1.061 12 1HG PRO 24 1HG PRO 24 -1.549 -9.726 1.991 13 2HG PRO 24 2HG PRO 24 -3.251 -9.673 1.512 14 1HD PRO 24 1HD PRO 24 -0.949 -10.494 -0.050 15 2HD PRO 24 2HD PRO 24 -2.672 -10.605 -0.469 16 H ASP 25 H ASP 25 -0.033 -5.604 0.503 17 HA ASP 25 HA ASP 25 2.217 -6.795 1.664 18 1HB ASP 25 1HB ASP 25 2.633 -7.530 -0.723 19 2HB ASP 25 2HB ASP 25 2.786 -5.832 -1.155 20 H GLY 26 H GLY 26 0.350 -4.648 1.963 21 1HA GLY 26 1HA GLY 26 0.573 -2.544 2.959 22 2HA GLY 26 2HA GLY 26 2.207 -2.434 2.319 23 H VAL 27 H VAL 27 -0.555 -0.923 2.182 24 HA VAL 27 HA VAL 27 -1.074 -0.671 -0.608 25 HB VAL 27 HB VAL 27 -2.265 1.472 0.096 26 1HG1 VAL 27 1HG1 VAL 27 -4.125 0.278 1.111 27 2HG1 VAL 27 2HG1 VAL 27 -3.071 -1.093 1.453 28 3HG1 VAL 27 3HG1 VAL 27 -3.428 -0.650 -0.216 29 1HG2 VAL 27 1HG2 VAL 27 -1.587 0.428 2.842 30 2HG2 VAL 27 2HG2 VAL 27 -2.695 1.752 2.486 31 3HG2 VAL 27 3HG2 VAL 27 -0.979 1.917 2.118 32 H GLN 28 H GLN 28 -0.325 0.898 -2.073 33 HA GLN 28 HA GLN 28 1.803 2.597 -0.941 34 1HB GLN 28 1HB GLN 28 3.220 2.217 -2.787 35 2HB GLN 28 2HB GLN 28 2.709 0.651 -2.194 36 1HG GLN 28 1HG GLN 28 1.380 0.247 -4.044 37 2HG GLN 28 2HG GLN 28 1.300 1.957 -4.482 38 1HE2 GLN 28 1HE2 GLN 28 3.105 2.947 -5.388 39 2HE2 GLN 28 2HE2 GLN 28 4.346 2.034 -6.157 40 H ILE 29 H ILE 29 2.270 4.527 -2.009 41 HA ILE 29 HA ILE 29 -0.081 5.887 -2.922 42 HB ILE 29 HB ILE 29 2.758 6.916 -2.782 43 1HG1 ILE 29 1HG1 ILE 29 0.590 7.134 -0.681 44 2HG1 ILE 29 2HG1 ILE 29 1.926 5.989 -0.613 45 1HG2 ILE 29 1HG2 ILE 29 1.694 9.123 -2.603 46 2HG2 ILE 29 2HG2 ILE 29 0.114 8.367 -2.819 47 3HG2 ILE 29 3HG2 ILE 29 1.301 8.317 -4.123 48 1HD1 ILE 29 1HD1 ILE 29 2.172 8.988 -0.613 49 2HD1 ILE 29 2HD1 ILE 29 3.511 7.842 -0.544 50 3HD1 ILE 29 3HD1 ILE 29 2.353 7.927 0.784 51 H ASP 30 H ASP 30 -0.665 6.273 -4.953 52 HA ASP 30 HA ASP 30 1.104 5.546 -7.144 53 1HB ASP 30 1HB ASP 30 -1.814 6.177 -6.913 54 2HB ASP 30 2HB ASP 30 -1.022 6.346 -8.478 55 H SER 31 H SER 31 -0.739 8.408 -6.047 56 HA SER 31 HA SER 31 1.359 10.160 -6.926 57 1HB SER 31 1HB SER 31 -0.162 11.440 -8.496 58 2HB SER 31 2HB SER 31 0.371 9.867 -9.085 59 HG SER 31 HG SER 31 -1.796 9.927 -9.441 60 H VAL 32 H VAL 32 0.783 12.464 -6.514 61 HA VAL 32 HA VAL 32 -1.209 12.717 -4.356 62 HB VAL 32 HB VAL 32 1.139 14.533 -4.953 63 1HG1 VAL 32 1HG1 VAL 32 -0.704 15.675 -3.850 64 2HG1 VAL 32 2HG1 VAL 32 0.672 15.504 -2.761 65 3HG1 VAL 32 3HG1 VAL 32 -0.726 14.445 -2.586 66 1HG2 VAL 32 1HG2 VAL 32 2.187 13.581 -2.955 67 2HG2 VAL 32 2HG2 VAL 32 1.933 12.361 -4.204 68 3HG2 VAL 32 3HG2 VAL 32 0.857 12.432 -2.809 69 H VAL 33 H VAL 33 -2.793 14.284 -4.533 70 HA VAL 33 HA VAL 33 -3.578 15.122 -7.098 71 HB VAL 33 HB VAL 33 -5.080 14.845 -5.098 72 1HG1 VAL 33 1HG1 VAL 33 -3.760 16.043 -3.447 73 2HG1 VAL 33 2HG1 VAL 33 -5.380 16.727 -3.576 74 3HG1 VAL 33 3HG1 VAL 33 -4.014 17.554 -4.322 75 1HG2 VAL 33 1HG2 VAL 33 -5.289 17.463 -6.573 76 2HG2 VAL 33 2HG2 VAL 33 -6.599 16.670 -5.696 77 3HG2 VAL 33 3HG2 VAL 33 -5.898 15.900 -7.118 78 HA PRO 34 HA PRO 34 -1.080 18.806 -7.651 79 1HB PRO 34 1HB PRO 34 -3.166 19.725 -9.506 80 2HB PRO 34 2HB PRO 34 -1.479 19.316 -9.833 81 1HG PRO 34 1HG PRO 34 -3.512 17.763 -10.671 82 2HG PRO 34 2HG PRO 34 -1.949 17.086 -10.182 83 1HD PRO 34 1HD PRO 34 -4.518 17.219 -8.651 84 2HD PRO 34 2HD PRO 34 -3.347 15.890 -8.773 85 H GLY 35 H GLY 35 -2.129 19.149 -5.350 86 1HA GLY 35 1HA GLY 35 -2.654 21.811 -4.974 87 2HA GLY 35 2HA GLY 35 -4.242 21.076 -5.178 88 H SER 36 H SER 36 -4.382 21.976 -2.922 89 HA SER 36 HA SER 36 -4.540 21.709 -0.679 90 1HB SER 36 1HB SER 36 -5.062 19.505 0.124 91 2HB SER 36 2HB SER 36 -5.715 19.637 -1.502 92 HG SER 36 HG SER 36 -3.388 18.676 -1.923 93 HA PRO 37 HA PRO 37 -0.493 20.974 1.255 94 1HB PRO 37 1HB PRO 37 -1.012 19.606 3.535 95 2HB PRO 37 2HB PRO 37 -1.387 21.325 3.354 96 1HG PRO 37 1HG PRO 37 -3.196 18.952 3.092 97 2HG PRO 37 2HG PRO 37 -3.487 20.491 3.927 98 1HD PRO 37 1HD PRO 37 -4.467 19.975 1.461 99 2HD PRO 37 2HD PRO 37 -3.980 21.605 1.969 100 H ALA 38 H ALA 38 0.503 18.859 2.684 101 HA ALA 38 HA ALA 38 1.065 16.658 2.816 102 1HB ALA 38 1HB ALA 38 -0.220 14.925 1.689 103 2HB ALA 38 2HB ALA 38 -1.092 16.153 0.771 104 3HB ALA 38 3HB ALA 38 -1.279 16.062 2.521 105 H SER 39 H SER 39 0.723 18.108 -0.344 106 HA SER 39 HA SER 39 2.384 16.332 -1.771 107 1HB SER 39 1HB SER 39 0.836 17.907 -2.862 108 2HB SER 39 2HB SER 39 1.825 19.258 -2.311 109 HG SER 39 HG SER 39 3.452 17.599 -3.544 110 H LYS 40 H LYS 40 3.106 18.842 0.476 111 HA LYS 40 HA LYS 40 5.921 18.899 -0.342 112 1HB LYS 40 1HB LYS 40 4.475 20.547 1.742 113 2HB LYS 40 2HB LYS 40 6.154 20.749 1.264 114 1HG LYS 40 1HG LYS 40 5.422 21.345 -1.001 115 2HG LYS 40 2HG LYS 40 3.742 21.183 -0.483 116 1HD LYS 40 1HD LYS 40 4.088 22.941 1.187 117 2HD LYS 40 2HD LYS 40 5.764 23.106 0.662 118 1HE LYS 40 1HE LYS 40 4.416 24.850 -0.332 119 2HE LYS 40 2HE LYS 40 4.973 23.738 -1.582 120 1HZ LYS 40 1HZ LYS 40 2.606 24.405 -1.779 121 2HZ LYS 40 2HZ LYS 40 2.285 23.597 -0.325 122 3HZ LYS 40 3HZ LYS 40 2.833 22.729 -1.675 123 H VAL 41 H VAL 41 4.035 17.000 1.472 124 HA VAL 41 HA VAL 41 5.923 16.773 3.714 125 HB VAL 41 HB VAL 41 3.123 15.640 3.523 126 1HG1 VAL 41 1HG1 VAL 41 3.352 15.247 5.927 127 2HG1 VAL 41 2HG1 VAL 41 5.011 15.843 5.871 128 3HG1 VAL 41 3HG1 VAL 41 4.574 14.366 5.014 129 1HG2 VAL 41 1HG2 VAL 41 2.528 17.411 5.144 130 2HG2 VAL 41 2HG2 VAL 41 3.020 18.049 3.575 131 3HG2 VAL 41 3HG2 VAL 41 4.136 18.104 4.941 132 H LEU 42 H LEU 42 3.982 14.720 1.526 133 HA LEU 42 HA LEU 42 5.922 12.559 1.996 134 1HB LEU 42 1HB LEU 42 3.114 12.376 0.903 135 2HB LEU 42 2HB LEU 42 4.206 11.027 1.119 136 HG LEU 42 HG LEU 42 4.196 11.774 3.628 137 1HD1 LEU 42 1HD1 LEU 42 2.933 13.832 3.286 138 2HD1 LEU 42 2HD1 LEU 42 2.064 12.713 4.334 139 3HD1 LEU 42 3HD1 LEU 42 1.578 12.899 2.650 140 1HD2 LEU 42 1HD2 LEU 42 2.328 10.266 4.043 141 2HD2 LEU 42 2HD2 LEU 42 3.385 9.636 2.778 142 3HD2 LEU 42 3HD2 LEU 42 1.847 10.387 2.351 143 H THR 43 H THR 43 6.358 11.157 0.128 144 HA THR 43 HA THR 43 6.516 12.730 -2.349 145 HB THR 43 HB THR 43 8.220 10.359 -1.525 146 HG1 THR 43 HG1 THR 43 8.504 13.141 -1.200 147 1HG2 THR 43 1HG2 THR 43 8.033 10.606 -3.951 148 2HG2 THR 43 2HG2 THR 43 9.651 11.042 -3.407 149 3HG2 THR 43 3HG2 THR 43 8.490 12.301 -3.827 150 HA PRO 44 HA PRO 44 3.486 9.848 -3.957 151 1HB PRO 44 1HB PRO 44 3.970 10.483 -6.611 152 2HB PRO 44 2HB PRO 44 2.822 11.304 -5.556 153 1HG PRO 44 1HG PRO 44 5.577 12.103 -6.346 154 2HG PRO 44 2HG PRO 44 4.157 13.120 -6.043 155 1HD PRO 44 1HD PRO 44 6.177 12.880 -4.263 156 2HD PRO 44 2HD PRO 44 4.495 13.129 -3.759 157 H GLY 45 H GLY 45 3.667 7.788 -4.503 158 1HA GLY 45 1HA GLY 45 4.566 6.055 -5.919 159 2HA GLY 45 2HA GLY 45 6.097 6.916 -5.914 160 H LEU 46 H LEU 46 5.523 7.305 -2.882 161 HA LEU 46 HA LEU 46 7.138 5.104 -2.046 162 1HB LEU 46 1HB LEU 46 5.611 7.103 -0.372 163 2HB LEU 46 2HB LEU 46 6.839 6.006 0.222 164 HG LEU 46 HG LEU 46 7.265 8.308 -1.683 165 1HD1 LEU 46 1HD1 LEU 46 8.612 9.221 0.145 166 2HD1 LEU 46 2HD1 LEU 46 8.182 7.840 1.152 167 3HD1 LEU 46 3HD1 LEU 46 6.937 8.977 0.639 168 1HD2 LEU 46 1HD2 LEU 46 9.645 7.749 -1.530 169 2HD2 LEU 46 2HD2 LEU 46 8.719 6.443 -2.269 170 3HD2 LEU 46 3HD2 LEU 46 9.242 6.312 -0.591 171 H VAL 47 H VAL 47 6.515 3.680 -0.207 172 HA VAL 47 HA VAL 47 3.773 2.702 -0.615 173 HB VAL 47 HB VAL 47 6.103 1.160 0.559 174 1HG1 VAL 47 1HG1 VAL 47 3.907 0.331 1.217 175 2HG1 VAL 47 2HG1 VAL 47 4.722 -0.800 0.136 176 3HG1 VAL 47 3HG1 VAL 47 3.430 0.234 -0.480 177 1HG2 VAL 47 1HG2 VAL 47 6.253 0.018 -1.600 178 2HG2 VAL 47 2HG2 VAL 47 6.593 1.741 -1.757 179 3HG2 VAL 47 3HG2 VAL 47 5.027 1.101 -2.258 180 H ILE 48 H ILE 48 2.450 2.304 1.188 181 HA ILE 48 HA ILE 48 3.147 3.742 3.630 182 HB ILE 48 HB ILE 48 0.628 2.213 2.923 183 1HG1 ILE 48 1HG1 ILE 48 1.221 4.231 1.457 184 2HG1 ILE 48 2HG1 ILE 48 -0.368 4.230 2.211 185 1HG2 ILE 48 1HG2 ILE 48 1.148 4.219 5.114 186 2HG2 ILE 48 2HG2 ILE 48 0.937 2.479 5.323 187 3HG2 ILE 48 3HG2 ILE 48 -0.403 3.469 4.748 188 1HD1 ILE 48 1HD1 ILE 48 0.704 6.419 2.307 189 2HD1 ILE 48 2HD1 ILE 48 2.035 5.724 3.234 190 3HD1 ILE 48 3HD1 ILE 48 0.404 5.758 3.914 191 H GLU 49 H GLU 49 3.996 2.782 5.358 192 HA GLU 49 HA GLU 49 4.037 -0.122 5.506 193 1HB GLU 49 1HB GLU 49 6.064 1.322 6.033 194 2HB GLU 49 2HB GLU 49 5.217 1.820 7.487 195 1HG GLU 49 1HG GLU 49 5.037 -0.927 7.559 196 2HG GLU 49 2HG GLU 49 6.658 -0.638 6.930 197 H SER 50 H SER 50 3.041 2.653 7.501 198 HA SER 50 HA SER 50 0.894 1.085 8.653 199 1HB SER 50 1HB SER 50 3.089 2.131 10.451 200 2HB SER 50 2HB SER 50 1.627 1.297 10.967 201 HG SER 50 HG SER 50 3.960 0.301 9.800 202 H ILE 51 H ILE 51 -0.608 2.285 9.758 203 HA ILE 51 HA ILE 51 -0.359 5.199 9.531 204 HB ILE 51 HB ILE 51 -2.805 3.525 10.197 205 1HG1 ILE 51 1HG1 ILE 51 -2.071 3.093 7.911 206 2HG1 ILE 51 2HG1 ILE 51 -3.555 4.040 7.909 207 1HG2 ILE 51 1HG2 ILE 51 -4.081 5.571 9.702 208 2HG2 ILE 51 2HG2 ILE 51 -2.566 6.455 9.511 209 3HG2 ILE 51 3HG2 ILE 51 -3.000 5.774 11.079 210 1HD1 ILE 51 1HD1 ILE 51 -2.199 6.073 7.524 211 2HD1 ILE 51 2HD1 ILE 51 -2.078 4.886 6.226 212 3HD1 ILE 51 3HD1 ILE 51 -0.767 5.051 7.397 213 H ASN 52 H ASN 52 -1.316 6.368 11.504 214 HA ASN 52 HA ASN 52 0.279 6.005 13.688 215 1HB ASN 52 1HB ASN 52 -0.998 8.053 13.156 216 2HB ASN 52 2HB ASN 52 -2.462 7.248 13.691 217 1HD2 ASN 52 1HD2 ASN 52 -2.666 8.999 15.161 218 2HD2 ASN 52 2HD2 ASN 52 -1.803 8.979 16.662 219 H GLY 53 H GLY 53 0.427 4.099 14.721 220 1HA GLY 53 1HA GLY 53 -0.124 2.721 16.504 221 2HA GLY 53 2HA GLY 53 -1.744 3.397 16.499 222 H MET 54 H MET 54 -1.535 2.699 13.417 223 HA MET 54 HA MET 54 -2.373 -0.102 13.752 224 1HB MET 54 1HB MET 54 -3.842 2.096 12.289 225 2HB MET 54 2HB MET 54 -4.272 0.393 12.207 226 1HG MET 54 1HG MET 54 -4.920 0.345 14.471 227 2HG MET 54 2HG MET 54 -4.140 1.887 14.807 228 1HE MET 54 1HE MET 54 -5.064 4.217 14.113 229 2HE MET 54 2HE MET 54 -6.482 4.463 13.092 230 3HE MET 54 3HE MET 54 -5.025 3.732 12.419 231 HA PRO 55 HA PRO 55 0.567 -0.215 10.323 232 1HB PRO 55 1HB PRO 55 0.772 -2.921 10.275 233 2HB PRO 55 2HB PRO 55 1.662 -1.902 11.410 234 1HG PRO 55 1HG PRO 55 -0.845 -3.480 11.843 235 2HG PRO 55 2HG PRO 55 0.553 -3.277 12.914 236 1HD PRO 55 1HD PRO 55 -1.760 -1.905 13.244 237 2HD PRO 55 2HD PRO 55 -0.175 -1.241 13.690 238 H THR 56 H THR 56 0.403 -0.763 8.135 239 HA THR 56 HA THR 56 -2.227 -1.812 7.323 240 HB THR 56 HB THR 56 -2.075 -0.178 5.385 241 HG1 THR 56 HG1 THR 56 0.213 0.308 5.856 242 1HG2 THR 56 1HG2 THR 56 -2.340 0.929 8.183 243 2HG2 THR 56 2HG2 THR 56 -3.618 0.154 7.249 244 3HG2 THR 56 3HG2 THR 56 -2.948 1.695 6.717 245 H SER 57 H SER 57 -1.494 -3.831 6.718 246 HA SER 57 HA SER 57 0.477 -3.924 4.544 247 1HB SER 57 1HB SER 57 0.775 -5.467 6.501 248 2HB SER 57 2HB SER 57 -0.759 -6.230 6.088 249 HG SER 57 HG SER 57 1.691 -6.283 4.699 250 H ASN 58 H ASN 58 -2.834 -3.875 5.122 251 HA ASN 58 HA ASN 58 -3.397 -4.986 2.445 252 1HB ASN 58 1HB ASN 58 -5.085 -5.181 4.960 253 2HB ASN 58 2HB ASN 58 -5.651 -5.630 3.357 254 1HD2 ASN 58 1HD2 ASN 58 -3.507 -6.451 5.976 255 2HD2 ASN 58 2HD2 ASN 58 -3.172 -8.067 5.459 256 H LEU 59 H LEU 59 -5.434 -4.090 1.501 257 HA LEU 59 HA LEU 59 -5.605 -1.270 1.735 258 1HB LEU 59 1HB LEU 59 -6.713 -3.331 0.071 259 2HB LEU 59 2HB LEU 59 -7.994 -2.253 0.583 260 HG LEU 59 HG LEU 59 -5.464 -1.419 -0.838 261 1HD1 LEU 59 1HD1 LEU 59 -6.939 -0.946 -2.717 262 2HD1 LEU 59 2HD1 LEU 59 -8.310 -1.581 -1.809 263 3HD1 LEU 59 3HD1 LEU 59 -6.991 -2.654 -2.278 264 1HD2 LEU 59 1HD2 LEU 59 -6.503 0.776 -0.988 265 2HD2 LEU 59 2HD2 LEU 59 -6.296 0.297 0.698 266 3HD2 LEU 59 3HD2 LEU 59 -7.886 0.197 -0.058 267 H THR 60 H THR 60 -7.406 -3.954 3.095 268 HA THR 60 HA THR 60 -9.557 -2.516 4.187 269 HB THR 60 HB THR 60 -8.331 -5.047 5.307 270 HG1 THR 60 HG1 THR 60 -10.437 -5.508 3.704 271 1HG2 THR 60 1HG2 THR 60 -10.052 -4.005 6.722 272 2HG2 THR 60 2HG2 THR 60 -10.619 -5.527 6.034 273 3HG2 THR 60 3HG2 THR 60 -11.165 -3.996 5.355 274 H THR 61 H THR 61 -6.329 -3.278 5.495 275 HA THR 61 HA THR 61 -6.852 -2.248 8.084 276 HB THR 61 HB THR 61 -4.261 -2.002 8.136 277 HG1 THR 61 HG1 THR 61 -4.154 -2.145 5.753 278 1HG2 THR 61 1HG2 THR 61 -4.017 -4.428 8.473 279 2HG2 THR 61 2HG2 THR 61 -5.586 -4.680 7.708 280 3HG2 THR 61 3HG2 THR 61 -5.481 -3.803 9.233 281 H TYR 62 H TYR 62 -5.774 -0.772 5.085 282 HA TYR 62 HA TYR 62 -5.167 1.785 6.212 283 1HB TYR 62 1HB TYR 62 -4.349 0.938 3.977 284 2HB TYR 62 2HB TYR 62 -5.982 1.164 3.361 285 HD1 TYR 62 HD1 TYR 62 -3.046 2.937 4.756 286 HD2 TYR 62 HD2 TYR 62 -6.739 3.312 2.673 287 HE1 TYR 62 HE1 TYR 62 -2.500 5.273 4.221 288 HE2 TYR 62 HE2 TYR 62 -6.200 5.653 2.133 289 HH TYR 62 HH TYR 62 -4.752 7.477 3.040 290 H SER 63 H SER 63 -8.000 0.218 4.884 291 HA SER 63 HA SER 63 -9.717 2.424 4.777 292 1HB SER 63 1HB SER 63 -10.210 -0.517 5.065 293 2HB SER 63 2HB SER 63 -11.463 0.646 4.722 294 HG SER 63 HG SER 63 -9.157 0.242 3.116 295 H ALA 64 H ALA 64 -9.279 -0.109 7.204 296 HA ALA 64 HA ALA 64 -11.244 0.794 9.003 297 1HB ALA 64 1HB ALA 64 -10.237 -0.701 10.617 298 2HB ALA 64 2HB ALA 64 -8.772 -0.811 9.641 299 3HB ALA 64 3HB ALA 64 -10.288 -1.479 9.034 300 H ALA 65 H ALA 65 -7.895 1.673 8.566 301 HA ALA 65 HA ALA 65 -7.676 3.090 11.056 302 1HB ALA 65 1HB ALA 65 -5.915 3.235 8.608 303 2HB ALA 65 2HB ALA 65 -5.712 2.108 9.951 304 3HB ALA 65 3HB ALA 65 -5.519 3.841 10.216 305 H LEU 66 H LEU 66 -8.491 3.863 7.751 306 HA LEU 66 HA LEU 66 -8.254 6.679 7.945 307 1HB LEU 66 1HB LEU 66 -8.529 4.940 5.917 308 2HB LEU 66 2HB LEU 66 -10.193 5.454 6.059 309 HG LEU 66 HG LEU 66 -7.880 7.336 5.621 310 1HD1 LEU 66 1HD1 LEU 66 -8.140 5.865 3.710 311 2HD1 LEU 66 2HD1 LEU 66 -8.701 7.491 3.316 312 3HD1 LEU 66 3HD1 LEU 66 -9.867 6.212 3.655 313 1HD2 LEU 66 1HD2 LEU 66 -9.639 8.943 5.034 314 2HD2 LEU 66 2HD2 LEU 66 -9.792 8.388 6.701 315 3HD2 LEU 66 3HD2 LEU 66 -10.864 7.745 5.457 316 H LYS 67 H LYS 67 -10.958 4.431 8.316 317 HA LYS 67 HA LYS 67 -13.007 6.341 8.336 318 1HB LYS 67 1HB LYS 67 -14.449 4.619 9.165 319 2HB LYS 67 2HB LYS 67 -13.322 3.888 8.030 320 1HG LYS 67 1HG LYS 67 -11.967 3.126 9.980 321 2HG LYS 67 2HG LYS 67 -13.247 3.719 11.039 322 1HD LYS 67 1HD LYS 67 -13.512 1.582 8.923 323 2HD LYS 67 2HD LYS 67 -13.493 1.329 10.667 324 1HE LYS 67 1HE LYS 67 -15.567 2.909 9.153 325 2HE LYS 67 2HE LYS 67 -15.767 1.252 9.719 326 1HZ LYS 67 1HZ LYS 67 -15.282 3.609 11.466 327 2HZ LYS 67 2HZ LYS 67 -15.551 2.018 11.985 328 3HZ LYS 67 3HZ LYS 67 -16.789 2.878 11.205 329 H THR 68 H THR 68 -10.766 5.479 10.829 330 HA THR 68 HA THR 68 -12.402 6.627 12.926 331 HB THR 68 HB THR 68 -10.342 6.200 14.339 332 HG1 THR 68 HG1 THR 68 -9.086 5.936 12.173 333 1HG2 THR 68 1HG2 THR 68 -12.287 4.727 14.335 334 2HG2 THR 68 2HG2 THR 68 -10.796 3.799 14.487 335 3HG2 THR 68 3HG2 THR 68 -11.639 3.863 12.940 336 H ILE 69 H ILE 69 -10.195 7.798 10.624 337 HA ILE 69 HA ILE 69 -9.153 9.917 12.312 338 HB ILE 69 HB ILE 69 -8.830 9.697 9.321 339 1HG1 ILE 69 1HG1 ILE 69 -8.074 7.594 10.261 340 2HG1 ILE 69 2HG1 ILE 69 -6.680 8.553 9.783 341 1HG2 ILE 69 1HG2 ILE 69 -7.133 11.016 11.434 342 2HG2 ILE 69 2HG2 ILE 69 -8.221 11.840 10.318 343 3HG2 ILE 69 3HG2 ILE 69 -6.803 10.991 9.703 344 1HD1 ILE 69 1HD1 ILE 69 -6.287 7.447 11.889 345 2HD1 ILE 69 2HD1 ILE 69 -7.720 8.205 12.582 346 3HD1 ILE 69 3HD1 ILE 69 -6.335 9.196 12.119 347 H SER 70 H SER 70 -9.832 11.997 12.345 348 HA SER 70 HA SER 70 -12.188 12.663 10.722 349 1HB SER 70 1HB SER 70 -11.201 13.907 13.301 350 2HB SER 70 2HB SER 70 -12.670 14.364 12.439 351 HG SER 70 HG SER 70 -13.309 12.948 13.986 352 H VAL 71 H VAL 71 -12.366 14.914 9.989 353 HA VAL 71 HA VAL 71 -10.121 15.903 8.609 354 HB VAL 71 HB VAL 71 -12.688 17.310 9.408 355 1HG1 VAL 71 1HG1 VAL 71 -12.170 18.914 7.624 356 2HG1 VAL 71 2HG1 VAL 71 -10.599 18.144 7.399 357 3HG1 VAL 71 3HG1 VAL 71 -10.972 18.955 8.919 358 1HG2 VAL 71 1HG2 VAL 71 -13.385 16.841 7.112 359 2HG2 VAL 71 2HG2 VAL 71 -13.032 15.357 7.996 360 3HG2 VAL 71 3HG2 VAL 71 -11.869 15.984 6.829 361 H GLY 72 H GLY 72 -8.522 17.313 9.208 362 1HA GLY 72 1HA GLY 72 -7.681 19.223 10.313 363 2HA GLY 72 2HA GLY 72 -8.942 19.052 11.525 364 H GLU 73 H GLU 73 -8.064 16.045 11.405 365 HA GLU 73 HA GLU 73 -6.396 16.281 13.743 366 1HB GLU 73 1HB GLU 73 -8.248 14.614 13.540 367 2HB GLU 73 2HB GLU 73 -7.297 13.793 12.317 368 1HG GLU 73 1HG GLU 73 -7.112 12.702 14.483 369 2HG GLU 73 2HG GLU 73 -5.558 13.317 13.924 370 H VAL 74 H VAL 74 -4.350 15.374 13.995 371 HA VAL 74 HA VAL 74 -2.822 15.174 11.487 372 HB VAL 74 HB VAL 74 -1.783 15.753 14.279 373 1HG1 VAL 74 1HG1 VAL 74 0.293 16.375 13.124 374 2HG1 VAL 74 2HG1 VAL 74 -0.413 15.865 11.591 375 3HG1 VAL 74 3HG1 VAL 74 -0.121 14.680 12.866 376 1HG2 VAL 74 1HG2 VAL 74 -1.485 18.048 13.529 377 2HG2 VAL 74 2HG2 VAL 74 -3.183 17.575 13.428 378 3HG2 VAL 74 3HG2 VAL 74 -2.196 17.645 11.968 379 H ILE 75 H ILE 75 -2.008 13.252 10.959 380 HA ILE 75 HA ILE 75 -1.954 11.160 13.029 381 HB ILE 75 HB ILE 75 -2.372 9.534 11.157 382 1HG1 ILE 75 1HG1 ILE 75 -3.194 12.052 9.685 383 2HG1 ILE 75 2HG1 ILE 75 -1.804 11.044 9.288 384 1HG2 ILE 75 1HG2 ILE 75 -4.794 9.907 11.183 385 2HG2 ILE 75 2HG2 ILE 75 -4.528 11.535 11.810 386 3HG2 ILE 75 3HG2 ILE 75 -4.070 10.129 12.776 387 1HD1 ILE 75 1HD1 ILE 75 -3.335 9.181 8.802 388 2HD1 ILE 75 2HD1 ILE 75 -3.634 10.589 7.784 389 3HD1 ILE 75 3HD1 ILE 75 -4.701 10.241 9.144 390 H ASN 76 H ASN 76 -0.467 9.468 12.730 391 HA ASN 76 HA ASN 76 2.060 10.340 11.544 392 1HB ASN 76 1HB ASN 76 2.267 9.810 13.858 393 2HB ASN 76 2HB ASN 76 1.315 8.343 13.685 394 1HD2 ASN 76 1HD2 ASN 76 2.264 6.501 12.932 395 2HD2 ASN 76 2HD2 ASN 76 3.979 6.316 12.783 396 H ILE 77 H ILE 77 2.855 9.364 9.764 397 HA ILE 77 HA ILE 77 1.746 6.741 8.956 398 HB ILE 77 HB ILE 77 2.149 9.112 7.102 399 1HG1 ILE 77 1HG1 ILE 77 -0.407 7.732 7.944 400 2HG1 ILE 77 2HG1 ILE 77 0.135 9.290 8.556 401 1HG2 ILE 77 1HG2 ILE 77 2.680 6.975 6.045 402 2HG2 ILE 77 2HG2 ILE 77 1.199 7.663 5.379 403 3HG2 ILE 77 3HG2 ILE 77 1.112 6.334 6.535 404 1HD1 ILE 77 1HD1 ILE 77 -0.532 8.673 5.689 405 2HD1 ILE 77 2HD1 ILE 77 -0.033 10.241 6.326 406 3HD1 ILE 77 3HD1 ILE 77 -1.567 9.531 6.831 407 H THR 78 H THR 78 3.399 5.407 8.970 408 HA THR 78 HA THR 78 6.066 6.336 8.277 409 HB THR 78 HB THR 78 5.109 3.621 9.216 410 HG1 THR 78 HG1 THR 78 6.595 5.616 10.616 411 1HG2 THR 78 1HG2 THR 78 7.172 3.486 7.872 412 2HG2 THR 78 2HG2 THR 78 7.463 3.097 9.567 413 3HG2 THR 78 3HG2 THR 78 7.929 4.676 8.933 414 H THR 79 H THR 79 6.829 6.168 6.266 415 HA THR 79 HA THR 79 5.602 4.177 4.477 416 HB THR 79 HB THR 79 6.447 5.454 2.602 417 HG1 THR 79 HG1 THR 79 7.683 7.036 4.616 418 1HG2 THR 79 1HG2 THR 79 5.059 7.227 4.611 419 2HG2 THR 79 2HG2 THR 79 4.282 6.141 3.459 420 3HG2 THR 79 3HG2 THR 79 5.173 7.551 2.883 421 H ASP 80 H ASP 80 7.288 3.411 2.771 422 HA ASP 80 HA ASP 80 9.218 1.898 4.141 423 1HB ASP 80 1HB ASP 80 8.142 1.279 1.964 424 2HB ASP 80 2HB ASP 80 9.153 2.487 1.175 425 H GLN 81 H GLN 81 9.362 5.075 2.800 426 HA GLN 81 HA GLN 81 12.288 5.070 2.992 427 1HB GLN 81 1HB GLN 81 10.368 6.598 1.306 428 2HB GLN 81 2HB GLN 81 11.863 7.385 1.769 429 1HG GLN 81 1HG GLN 81 12.040 6.347 -0.420 430 2HG GLN 81 2HG GLN 81 13.154 5.620 0.734 431 1HE2 GLN 81 1HE2 GLN 81 12.862 3.505 1.359 432 2HE2 GLN 81 2HE2 GLN 81 11.755 2.436 0.571 433 H GLY 82 H GLY 82 10.054 5.537 5.121 434 1HA GLY 82 1HA GLY 82 11.203 6.673 7.118 435 2HA GLY 82 2HA GLY 82 11.130 8.105 6.104 436 H THR 83 H THR 83 10.020 8.167 8.583 437 HA THR 83 HA THR 83 7.141 7.754 8.240 438 HB THR 83 HB THR 83 8.662 8.603 10.717 439 HG1 THR 83 HG1 THR 83 8.974 6.540 11.108 440 1HG2 THR 83 1HG2 THR 83 5.840 7.587 10.361 441 2HG2 THR 83 2HG2 THR 83 6.303 9.243 10.754 442 3HG2 THR 83 3HG2 THR 83 6.620 7.942 11.903 443 H PHE 84 H PHE 84 5.694 9.393 8.128 444 HA PHE 84 HA PHE 84 6.661 12.144 8.526 445 1HB PHE 84 1HB PHE 84 4.788 11.254 6.323 446 2HB PHE 84 2HB PHE 84 5.346 12.896 6.611 447 HD1 PHE 84 HD1 PHE 84 6.027 9.763 5.011 448 HD2 PHE 84 HD2 PHE 84 7.791 13.411 6.297 449 HE1 PHE 84 HE1 PHE 84 7.931 9.366 3.506 450 HE2 PHE 84 HE2 PHE 84 9.699 13.024 4.792 451 HZ PHE 84 HZ PHE 84 9.769 10.996 3.393 452 H HIS 85 H HIS 85 4.955 13.669 9.108 453 HA HIS 85 HA HIS 85 2.572 12.326 10.177 454 1HB HIS 85 1HB HIS 85 2.353 14.163 11.786 455 2HB HIS 85 2HB HIS 85 3.874 13.318 11.973 456 HD1 HIS 85 HD1 HIS 85 6.037 14.627 11.305 457 HD2 HIS 85 HD2 HIS 85 2.527 16.857 11.179 458 HE1 HIS 85 HE1 HIS 85 6.763 17.038 11.231 459 HE2 HIS 85 HE2 HIS 85 4.623 18.365 11.385 460 H LEU 86 H LEU 86 0.632 12.951 9.512 461 HA LEU 86 HA LEU 86 0.585 15.062 7.453 462 1HB LEU 86 1HB LEU 86 0.418 12.691 6.624 463 2HB LEU 86 2HB LEU 86 -1.087 12.550 7.510 464 HG LEU 86 HG LEU 86 -2.059 14.344 6.131 465 1HD1 LEU 86 1HD1 LEU 86 -0.041 15.562 5.597 466 2HD1 LEU 86 2HD1 LEU 86 -0.868 15.077 4.116 467 3HD1 LEU 86 3HD1 LEU 86 0.563 14.196 4.658 468 1HD2 LEU 86 1HD2 LEU 86 -2.399 12.039 5.472 469 2HD2 LEU 86 2HD2 LEU 86 -0.876 12.045 4.583 470 3HD2 LEU 86 3HD2 LEU 86 -2.217 13.056 4.044 471 H LYS 87 H LYS 87 -1.355 16.260 7.233 472 HA LYS 87 HA LYS 87 -3.171 16.102 9.547 473 1HB LYS 87 1HB LYS 87 -1.685 18.114 9.557 474 2HB LYS 87 2HB LYS 87 -2.383 18.594 8.018 475 1HG LYS 87 1HG LYS 87 -4.587 18.770 9.089 476 2HG LYS 87 2HG LYS 87 -3.856 18.326 10.634 477 1HD LYS 87 1HD LYS 87 -2.406 20.300 10.506 478 2HD LYS 87 2HD LYS 87 -3.154 20.747 8.972 479 1HE LYS 87 1HE LYS 87 -4.144 22.057 10.718 480 2HE LYS 87 2HE LYS 87 -5.337 20.894 10.148 481 1HZ LYS 87 1HZ LYS 87 -3.661 20.532 12.575 482 2HZ LYS 87 2HZ LYS 87 -4.932 19.531 12.062 483 3HZ LYS 87 3HZ LYS 87 -5.257 21.108 12.589 484 H THR 88 H THR 88 -5.212 15.683 9.037 485 HA THR 88 HA THR 88 -5.989 15.311 6.298 486 HB THR 88 HB THR 88 -8.229 14.795 7.322 487 HG1 THR 88 HG1 THR 88 -8.063 14.531 9.695 488 1HG2 THR 88 1HG2 THR 88 -5.817 13.365 8.450 489 2HG2 THR 88 2HG2 THR 88 -6.578 13.045 6.891 490 3HG2 THR 88 3HG2 THR 88 -7.456 12.717 8.385 491 H GLY 89 H GLY 89 -7.190 16.536 5.002 492 1HA GLY 89 1HA GLY 89 -8.066 19.160 6.005 493 2HA GLY 89 2HA GLY 89 -7.703 18.785 4.326 494 H ARG 90 H ARG 90 -9.755 19.587 3.656 495 HA ARG 90 HA ARG 90 -12.022 17.880 4.388 496 1HB ARG 90 1HB ARG 90 -13.473 19.820 4.778 497 2HB ARG 90 2HB ARG 90 -12.148 19.755 5.927 498 1HG ARG 90 1HG ARG 90 -12.085 21.499 3.475 499 2HG ARG 90 2HG ARG 90 -12.754 22.034 5.018 500 1HD ARG 90 1HD ARG 90 -9.937 21.041 4.594 501 2HD ARG 90 2HD ARG 90 -10.406 22.737 4.687 502 HE ARG 90 HE ARG 90 -11.359 21.680 7.007 503 1HH1 ARG 90 1HH1 ARG 90 -8.219 21.741 5.459 504 2HH1 ARG 90 2HH1 ARG 90 -7.334 21.628 6.949 505 1HH2 ARG 90 1HH2 ARG 90 -10.193 21.574 8.971 506 2HH2 ARG 90 2HH2 ARG 90 -8.457 21.552 8.942 507 H ASN 91 H ASN 91 -10.474 18.068 1.955 508 HA ASN 91 HA ASN 91 -12.567 19.012 0.108 509 1HB ASN 91 1HB ASN 91 -10.241 19.847 -0.298 510 2HB ASN 91 2HB ASN 91 -9.725 18.184 -0.544 511 1HD2 ASN 91 1HD2 ASN 91 -10.463 17.063 -2.390 512 2HD2 ASN 91 2HD2 ASN 91 -11.046 17.914 -3.780 513 HA PRO 92 HA PRO 92 -12.973 14.470 0.320 514 1HB PRO 92 1HB PRO 92 -15.751 14.560 0.545 515 2HB PRO 92 2HB PRO 92 -14.605 14.506 1.883 516 1HG PRO 92 1HG PRO 92 -16.328 16.646 1.185 517 2HG PRO 92 2HG PRO 92 -15.072 16.646 2.430 518 1HD PRO 92 1HD PRO 92 -14.996 17.724 -0.334 519 2HD PRO 92 2HD PRO 92 -14.099 18.243 1.110 520 H ASN 93 H ASN 93 -14.360 12.870 -0.868 521 HA ASN 93 HA ASN 93 -14.628 13.588 -3.644 522 1HB ASN 93 1HB ASN 93 -13.866 11.326 -2.829 523 2HB ASN 93 2HB ASN 93 -15.513 11.033 -2.284 524 1HD2 ASN 93 1HD2 ASN 93 -13.403 11.311 -5.010 525 2HD2 ASN 93 2HD2 ASN 93 -14.503 10.684 -6.190 526 H ASN 94 H ASN 94 -16.812 12.578 -1.050 527 HA ASN 94 HA ASN 94 -18.871 14.301 -2.206 528 1HB ASN 94 1HB ASN 94 -19.493 12.059 -2.929 529 2HB ASN 94 2HB ASN 94 -19.346 11.456 -1.282 530 1HD2 ASN 94 1HD2 ASN 94 -21.263 13.329 -3.493 531 2HD2 ASN 94 2HD2 ASN 94 -22.681 13.410 -2.507 532 H SER 95 H SER 95 -18.642 12.051 0.565 533 HA SER 95 HA SER 95 -18.860 14.372 2.363 534 1HB SER 95 1HB SER 95 -20.466 11.814 2.609 535 2HB SER 95 2HB SER 95 -20.489 13.157 3.750 536 HG SER 95 HG SER 95 -21.359 13.171 1.038 537 H SER 96 H SER 96 -16.708 12.453 1.494 538 HA SER 96 HA SER 96 -16.202 10.832 3.823 539 1HB SER 96 1HB SER 96 -14.019 10.398 2.460 540 2HB SER 96 2HB SER 96 -15.549 9.743 1.882 541 HG SER 96 HG SER 96 -14.097 10.958 0.349 542 H ARG 97 H ARG 97 -15.423 11.743 5.603 543 HA ARG 97 HA ARG 97 -13.802 14.116 5.547 544 1HB ARG 97 1HB ARG 97 -13.733 13.944 7.938 545 2HB ARG 97 2HB ARG 97 -15.366 13.532 7.427 546 1HG ARG 97 1HG ARG 97 -15.023 11.241 7.827 547 2HG ARG 97 2HG ARG 97 -13.274 11.449 7.965 548 1HD ARG 97 1HD ARG 97 -13.657 12.857 9.965 549 2HD ARG 97 2HD ARG 97 -15.375 12.470 9.865 550 HE ARG 97 HE ARG 97 -13.303 10.399 10.217 551 1HH1 ARG 97 1HH1 ARG 97 -16.356 11.857 11.127 552 2HH1 ARG 97 2HH1 ARG 97 -16.749 10.620 12.283 553 1HH2 ARG 97 1HH2 ARG 97 -13.814 8.776 11.728 554 2HH2 ARG 97 2HH2 ARG 97 -15.291 8.870 12.638 555 H ALA 98 H ALA 98 -11.602 14.160 6.541 556 HA ALA 98 HA ALA 98 -9.404 13.587 6.331 557 1HB ALA 98 1HB ALA 98 -8.752 11.315 6.980 558 2HB ALA 98 2HB ALA 98 -10.433 10.793 6.862 559 3HB ALA 98 3HB ALA 98 -9.960 11.967 8.090 560 H TYR 99 H TYR 99 -9.605 14.224 4.110 561 HA TYR 99 HA TYR 99 -10.929 12.562 2.252 562 1HB TYR 99 1HB TYR 99 -10.461 14.281 0.657 563 2HB TYR 99 2HB TYR 99 -10.889 15.031 2.179 564 HD1 TYR 99 HD1 TYR 99 -8.791 15.560 3.721 565 HD2 TYR 99 HD2 TYR 99 -8.657 15.152 -0.505 566 HE1 TYR 99 HE1 TYR 99 -6.735 16.875 3.674 567 HE2 TYR 99 HE2 TYR 99 -6.586 16.475 -0.571 568 HH TYR 99 HH TYR 99 -5.238 17.863 0.641 569 H MET 100 H MET 100 -7.556 12.881 3.051 570 HA MET 100 HA MET 100 -5.643 12.022 2.198 571 1HB MET 100 1HB MET 100 -7.507 9.967 0.992 572 2HB MET 100 2HB MET 100 -5.755 9.824 1.070 573 1HG MET 100 1HG MET 100 -7.652 9.940 3.402 574 2HG MET 100 2HG MET 100 -6.780 8.522 2.819 575 1HE MET 100 1HE MET 100 -6.734 9.413 5.860 576 2HE MET 100 2HE MET 100 -5.022 9.229 6.237 577 3HE MET 100 3HE MET 100 -5.842 8.025 5.240 578 H GLY 101 H GLY 101 -4.917 13.594 0.867 579 1HA GLY 101 1HA GLY 101 -6.168 14.046 -1.707 580 2HA GLY 101 2HA GLY 101 -4.855 14.979 -1.005 581 H ILE 102 H ILE 102 -4.749 11.511 -1.280 582 HA ILE 102 HA ILE 102 -2.950 11.725 -3.581 583 HB ILE 102 HB ILE 102 -1.297 10.265 -2.601 584 1HG1 ILE 102 1HG1 ILE 102 -2.897 10.354 -0.030 585 2HG1 ILE 102 2HG1 ILE 102 -2.916 8.996 -1.154 586 1HG2 ILE 102 1HG2 ILE 102 -1.968 12.564 -0.765 587 2HG2 ILE 102 2HG2 ILE 102 -0.975 12.633 -2.221 588 3HG2 ILE 102 3HG2 ILE 102 -0.418 11.723 -0.814 589 1HD1 ILE 102 1HD1 ILE 102 -0.519 8.687 -0.803 590 2HD1 ILE 102 2HD1 ILE 102 -1.428 8.567 0.704 591 3HD1 ILE 102 3HD1 ILE 102 -0.517 10.032 0.339 592 H ARG 103 H ARG 103 -2.736 9.802 -4.762 593 HA ARG 103 HA ARG 103 -4.988 7.966 -4.473 594 1HB ARG 103 1HB ARG 103 -4.234 9.062 -6.690 595 2HB ARG 103 2HB ARG 103 -2.897 7.926 -6.645 596 1HG ARG 103 1HG ARG 103 -4.744 7.136 -8.048 597 2HG ARG 103 2HG ARG 103 -4.419 6.053 -6.694 598 1HD ARG 103 1HD ARG 103 -6.797 6.310 -6.925 599 2HD ARG 103 2HD ARG 103 -6.277 7.125 -5.453 600 HE ARG 103 HE ARG 103 -6.732 8.634 -7.947 601 1HH1 ARG 103 1HH1 ARG 103 -7.335 8.109 -4.538 602 2HH1 ARG 103 2HH1 ARG 103 -8.363 9.496 -4.362 603 1HH2 ARG 103 1HH2 ARG 103 -8.151 10.428 -7.740 604 2HH2 ARG 103 2HH2 ARG 103 -8.835 10.804 -6.192 605 H THR 104 H THR 104 -4.703 5.754 -4.113 606 HA THR 104 HA THR 104 -1.993 4.757 -3.854 607 HB THR 104 HB THR 104 -2.231 5.377 -1.627 608 HG1 THR 104 HG1 THR 104 -1.648 3.169 -1.885 609 1HG2 THR 104 1HG2 THR 104 -5.030 4.266 -1.652 610 2HG2 THR 104 2HG2 THR 104 -4.585 5.972 -1.606 611 3HG2 THR 104 3HG2 THR 104 -4.204 4.924 -0.240 612 H SER 105 H SER 105 -1.823 2.530 -3.785 613 HA SER 105 HA SER 105 -4.223 1.033 -4.565 614 1HB SER 105 1HB SER 105 -2.638 -0.319 -6.064 615 2HB SER 105 2HB SER 105 -3.089 1.289 -6.627 616 HG SER 105 HG SER 105 -1.111 2.030 -6.223 617 H ASN 106 H ASN 106 -3.638 -1.414 -4.441 618 HA ASN 106 HA ASN 106 -2.867 -1.845 -1.689 619 1HB ASN 106 1HB ASN 106 -5.002 -2.722 -2.628 620 2HB ASN 106 2HB ASN 106 -4.069 -3.740 -3.717 621 1HD2 ASN 106 1HD2 ASN 106 -4.617 -5.675 -3.018 622 2HD2 ASN 106 2HD2 ASN 106 -4.317 -6.267 -1.434 623 H HIS 107 H HIS 107 -1.210 -1.691 -4.449 624 HA HIS 107 HA HIS 107 0.781 -2.472 -5.211 625 1HB HIS 107 1HB HIS 107 1.466 -2.153 -2.834 626 2HB HIS 107 2HB HIS 107 1.002 -3.817 -2.506 627 HD1 HIS 107 HD1 HIS 107 3.434 -1.957 -4.786 628 HD2 HIS 107 HD2 HIS 107 3.026 -5.568 -2.760 629 HE1 HIS 107 HE1 HIS 107 5.605 -3.183 -5.132 630 HE2 HIS 107 HE2 HIS 107 5.384 -5.303 -3.783 631 H LEU 108 H LEU 108 -1.602 -3.844 -5.786 632 HA LEU 108 HA LEU 108 -1.287 -6.661 -5.668 633 1HB LEU 108 1HB LEU 108 -2.921 -4.857 -7.440 634 2HB LEU 108 2HB LEU 108 -2.951 -6.603 -7.599 635 HG LEU 108 HG LEU 108 -3.568 -5.287 -4.988 636 1HD1 LEU 108 1HD1 LEU 108 -5.063 -4.275 -6.631 637 2HD1 LEU 108 2HD1 LEU 108 -5.944 -5.382 -5.576 638 3HD1 LEU 108 3HD1 LEU 108 -5.513 -5.879 -7.213 639 1HD2 LEU 108 1HD2 LEU 108 -3.146 -7.665 -4.929 640 2HD2 LEU 108 2HD2 LEU 108 -4.312 -7.926 -6.228 641 3HD2 LEU 108 3HD2 LEU 108 -4.860 -7.353 -4.651 642 H ARG 109 H ARG 109 -1.122 -7.993 -7.668 643 HA ARG 109 HA ARG 109 0.999 -6.901 -9.398 644 1HB ARG 109 1HB ARG 109 1.439 -8.972 -7.878 645 2HB ARG 109 2HB ARG 109 0.489 -9.848 -9.068 646 1HG ARG 109 1HG ARG 109 2.910 -8.220 -9.782 647 2HG ARG 109 2HG ARG 109 2.988 -9.925 -9.355 648 1HD ARG 109 1HD ARG 109 1.635 -10.528 -11.234 649 2HD ARG 109 2HD ARG 109 1.284 -8.838 -11.589 650 HE ARG 109 HE ARG 109 3.656 -8.588 -12.179 651 1HH1 ARG 109 1HH1 ARG 109 2.327 -11.821 -12.040 652 2HH1 ARG 109 2HH1 ARG 109 3.480 -12.495 -13.147 653 1HH2 ARG 109 1HH2 ARG 109 5.145 -9.433 -13.684 654 2HH2 ARG 109 2HH2 ARG 109 5.095 -11.123 -14.101 655 H VAL 110 H VAL 110 -0.230 -6.013 -10.945 656 HA VAL 110 HA VAL 110 -2.281 -7.670 -12.233 657 HB VAL 110 HB VAL 110 -1.853 -4.677 -12.325 658 1HG1 VAL 110 1HG1 VAL 110 -2.860 -5.478 -14.385 659 2HG1 VAL 110 2HG1 VAL 110 -4.032 -4.573 -13.426 660 3HG1 VAL 110 3HG1 VAL 110 -4.095 -6.336 -13.462 661 1HG2 VAL 110 1HG2 VAL 110 -2.622 -5.424 -10.149 662 2HG2 VAL 110 2HG2 VAL 110 -3.939 -6.324 -10.901 663 3HG2 VAL 110 3HG2 VAL 110 -3.910 -4.564 -10.991 664 H ARG 111 H ARG 111 -2.228 -8.073 -14.397 665 HA ARG 111 HA ARG 111 0.250 -7.914 -15.779 666 1HB ARG 111 1HB ARG 111 -1.415 -9.707 -16.179 667 2HB ARG 111 2HB ARG 111 -2.519 -8.515 -16.853 668 1HG ARG 111 1HG ARG 111 -0.923 -8.046 -18.638 669 2HG ARG 111 2HG ARG 111 0.178 -9.247 -17.965 670 1HD ARG 111 1HD ARG 111 -1.517 -10.985 -18.328 671 2HD ARG 111 2HD ARG 111 -2.594 -9.773 -19.027 672 HE ARG 111 HE ARG 111 -0.437 -9.478 -20.555 673 1HH1 ARG 111 1HH1 ARG 111 -2.174 -12.350 -19.582 674 2HH1 ARG 111 2HH1 ARG 111 -1.693 -13.280 -20.970 675 1HH2 ARG 111 1HH2 ARG 111 0.217 -10.681 -22.378 676 2HH2 ARG 111 2HH2 ARG 111 -0.330 -12.323 -22.564 677 H ASP 112 H ASP 112 0.770 -6.643 -17.599 678 HA ASP 112 HA ASP 112 0.182 -3.948 -17.410 679 1HB ASP 112 1HB ASP 112 1.288 -5.564 -19.698 680 2HB ASP 112 2HB ASP 112 1.117 -3.816 -19.783 681 H SER 113 H SER 113 -1.886 -3.383 -17.391 682 HA SER 113 HA SER 113 -3.297 -3.410 -19.957 683 1HB SER 113 1HB SER 113 -4.735 -3.907 -17.341 684 2HB SER 113 2HB SER 113 -5.371 -4.081 -18.977 685 HG SER 113 HG SER 113 -3.209 -5.636 -18.017 686 H VAL 114 H VAL 114 -3.147 -1.239 -20.372 687 HA VAL 114 HA VAL 114 -3.635 0.588 -18.129 688 HB VAL 114 HB VAL 114 -2.535 2.317 -19.632 689 1HG1 VAL 114 1HG1 VAL 114 -1.434 1.314 -17.693 690 2HG1 VAL 114 2HG1 VAL 114 -0.287 1.605 -19.001 691 3HG1 VAL 114 3HG1 VAL 114 -0.885 -0.027 -18.698 692 1HG2 VAL 114 1HG2 VAL 114 -2.672 1.139 -21.754 693 2HG2 VAL 114 2HG2 VAL 114 -1.675 -0.166 -21.113 694 3HG2 VAL 114 3HG2 VAL 114 -0.984 1.441 -21.334 695 H ALA 115 H ALA 115 -5.652 1.195 -18.049 696 HA ALA 115 HA ALA 115 -6.785 2.593 -20.330 697 1HB ALA 115 1HB ALA 115 -8.929 1.439 -20.198 698 2HB ALA 115 2HB ALA 115 -8.292 0.369 -18.948 699 3HB ALA 115 3HB ALA 115 -7.633 0.305 -20.584 700 H SER 116 H SER 116 -6.553 4.474 -19.155 701 HA SER 116 HA SER 116 -8.460 4.809 -16.962 702 1HB SER 116 1HB SER 116 -5.568 5.706 -16.838 703 2HB SER 116 2HB SER 116 -6.802 6.030 -15.619 704 HG SER 116 HG SER 116 -6.969 3.529 -15.800 705 H VAL 117 H VAL 117 -8.479 5.578 -19.744 706 HA VAL 117 HA VAL 117 -7.823 8.360 -19.899 707 HB VAL 117 HB VAL 117 -9.119 8.236 -22.102 708 1HG1 VAL 117 1HG1 VAL 117 -6.682 8.145 -21.961 709 2HG1 VAL 117 2HG1 VAL 117 -7.278 7.073 -23.226 710 3HG1 VAL 117 3HG1 VAL 117 -6.752 6.405 -21.681 711 1HG2 VAL 117 1HG2 VAL 117 -10.470 6.251 -21.548 712 2HG2 VAL 117 2HG2 VAL 117 -9.001 5.276 -21.495 713 3HG2 VAL 117 3HG2 VAL 117 -9.517 6.011 -23.013 714 H LEU 118 H LEU 118 -8.950 9.373 -18.281 715 HA LEU 118 HA LEU 118 -11.828 9.260 -18.170 716 1HB LEU 118 1HB LEU 118 -9.896 11.147 -16.818 717 2HB LEU 118 2HB LEU 118 -11.599 10.991 -16.440 718 HG LEU 118 HG LEU 118 -9.525 8.830 -16.046 719 1HD1 LEU 118 1HD1 LEU 118 -9.852 9.267 -13.664 720 2HD1 LEU 118 2HD1 LEU 118 -10.927 10.607 -14.057 721 3HD1 LEU 118 3HD1 LEU 118 -9.222 10.684 -14.502 722 1HD2 LEU 118 1HD2 LEU 118 -11.284 7.646 -14.858 723 2HD2 LEU 118 2HD2 LEU 118 -11.754 7.945 -16.531 724 3HD2 LEU 118 3HD2 LEU 118 -12.427 8.936 -15.236 725 H GLY 119 H GLY 119 -9.425 11.762 -18.930 726 1HA GLY 119 1HA GLY 119 -9.560 13.157 -20.849 727 2HA GLY 119 2HA GLY 119 -11.294 12.871 -20.895 728 H ASP 120 H ASP 120 -11.423 15.172 -21.136 729 HA ASP 120 HA ASP 120 -12.063 17.196 -20.390 730 1HB ASP 120 1HB ASP 120 -13.348 15.929 -18.689 731 2HB ASP 120 2HB ASP 120 -11.957 15.989 -17.615 732 H THR 121 H THR 121 -11.317 19.113 -19.318 733 HA THR 121 HA THR 121 -8.619 18.978 -18.197 734 HB THR 121 HB THR 121 -8.239 19.660 -20.476 735 HG1 THR 121 HG1 THR 121 -7.483 21.880 -20.080 736 1HG2 THR 121 1HG2 THR 121 -10.510 20.386 -21.035 737 2HG2 THR 121 2HG2 THR 121 -9.312 21.602 -21.487 738 3HG2 THR 121 3HG2 THR 121 -10.294 21.827 -20.039 739 H LEU 122 H LEU 122 -8.482 20.058 -16.332 740 HA LEU 122 HA LEU 122 -10.735 21.818 -15.632 741 1HB LEU 122 1HB LEU 122 -9.008 20.052 -13.910 742 2HB LEU 122 2HB LEU 122 -10.124 21.235 -13.257 743 HG LEU 122 HG LEU 122 -10.972 18.965 -15.055 744 1HD1 LEU 122 1HD1 LEU 122 -11.784 17.866 -13.028 745 2HD1 LEU 122 2HD1 LEU 122 -11.049 19.135 -12.045 746 3HD1 LEU 122 3HD1 LEU 122 -10.031 18.058 -13.001 747 1HD2 LEU 122 1HD2 LEU 122 -13.198 19.486 -14.213 748 2HD2 LEU 122 2HD2 LEU 122 -12.483 20.889 -15.009 749 3HD2 LEU 122 3HD2 LEU 122 -12.537 20.804 -13.247 750 HA PRO 123 HA PRO 123 -7.380 24.810 -15.131 751 1HB PRO 123 1HB PRO 123 -8.794 26.779 -16.514 752 2HB PRO 123 2HB PRO 123 -7.523 25.757 -17.188 753 1HG PRO 123 1HG PRO 123 -10.269 25.753 -17.877 754 2HG PRO 123 2HG PRO 123 -9.029 24.612 -18.417 755 1HD PRO 123 1HD PRO 123 -11.056 24.328 -16.269 756 2HD PRO 123 2HD PRO 123 -10.302 23.079 -17.285 757 H PHE 124 H PHE 124 -7.570 25.396 -13.031 758 HA PHE 124 HA PHE 124 -10.103 26.506 -12.120 759 1HB PHE 124 1HB PHE 124 -9.159 26.347 -9.830 760 2HB PHE 124 2HB PHE 124 -9.211 24.805 -10.667 761 HD1 PHE 124 HD1 PHE 124 -7.098 23.832 -11.554 762 HD2 PHE 124 HD2 PHE 124 -7.141 27.256 -9.033 763 HE1 PHE 124 HE1 PHE 124 -4.722 23.470 -11.028 764 HE2 PHE 124 HE2 PHE 124 -4.766 26.906 -8.505 765 HZ PHE 124 HZ PHE 124 -3.553 25.008 -9.502 766 H ALA 125 H ALA 125 -10.385 28.539 -12.523 767 HA ALA 125 HA ALA 125 -8.664 30.492 -11.302 768 1HB ALA 125 1HB ALA 125 -8.307 31.815 -13.336 769 2HB ALA 125 2HB ALA 125 -9.063 30.541 -14.296 770 3HB ALA 125 3HB ALA 125 -7.546 30.230 -13.453 Start of MODEL 18 1 H GLN 23 H GLN 23 -2.513 -11.542 -0.814 2 HA GLN 23 HA GLN 23 -0.498 -12.503 0.956 3 1HB GLN 23 1HB GLN 23 0.522 -13.211 -1.152 4 2HB GLN 23 2HB GLN 23 0.338 -11.591 -1.805 5 1HG GLN 23 1HG GLN 23 2.633 -12.064 -1.102 6 2HG GLN 23 2HG GLN 23 1.922 -10.718 -0.214 7 1HE2 GLN 23 1HE2 GLN 23 3.395 -10.958 1.464 8 2HE2 GLN 23 2HE2 GLN 23 3.286 -12.253 2.604 9 HA PRO 24 HA PRO 24 -1.427 -8.169 1.969 10 1HB PRO 24 1HB PRO 24 0.149 -9.048 4.336 11 2HB PRO 24 2HB PRO 24 -1.404 -8.204 4.267 12 1HG PRO 24 1HG PRO 24 -1.364 -10.760 4.918 13 2HG PRO 24 2HG PRO 24 -2.589 -10.156 3.782 14 1HD PRO 24 1HD PRO 24 -0.027 -11.605 3.178 15 2HD PRO 24 2HD PRO 24 -1.662 -11.908 2.546 16 H ASP 25 H ASP 25 -0.183 -6.645 1.114 17 HA ASP 25 HA ASP 25 2.729 -7.129 1.068 18 1HB ASP 25 1HB ASP 25 2.762 -6.135 -1.178 19 2HB ASP 25 2HB ASP 25 1.727 -7.555 -1.107 20 H GLY 26 H GLY 26 0.206 -4.862 1.642 21 1HA GLY 26 1HA GLY 26 0.516 -2.876 2.899 22 2HA GLY 26 2HA GLY 26 2.204 -2.854 2.399 23 H VAL 27 H VAL 27 -0.262 -0.986 2.173 24 HA VAL 27 HA VAL 27 -0.620 -0.746 -0.674 25 HB VAL 27 HB VAL 27 -1.956 1.282 -0.114 26 1HG1 VAL 27 1HG1 VAL 27 -3.021 -0.896 -0.298 27 2HG1 VAL 27 2HG1 VAL 27 -3.793 0.068 0.959 28 3HG1 VAL 27 3HG1 VAL 27 -2.677 -1.223 1.401 29 1HG2 VAL 27 1HG2 VAL 27 -1.363 0.502 2.740 30 2HG2 VAL 27 2HG2 VAL 27 -2.498 1.749 2.222 31 3HG2 VAL 27 3HG2 VAL 27 -0.771 1.947 1.920 32 H GLN 28 H GLN 28 0.264 0.742 -2.038 33 HA GLN 28 HA GLN 28 2.276 2.509 -0.803 34 1HB GLN 28 1HB GLN 28 3.500 2.499 -2.836 35 2HB GLN 28 2HB GLN 28 3.109 0.828 -2.474 36 1HG GLN 28 1HG GLN 28 1.397 0.795 -4.138 37 2HG GLN 28 2HG GLN 28 1.550 2.532 -4.402 38 1HE2 GLN 28 1HE2 GLN 28 4.472 2.455 -4.254 39 2HE2 GLN 28 2HE2 GLN 28 5.016 1.751 -5.736 40 H ILE 29 H ILE 29 2.501 4.655 -1.713 41 HA ILE 29 HA ILE 29 -0.067 5.811 -2.324 42 HB ILE 29 HB ILE 29 1.417 7.946 -2.610 43 1HG1 ILE 29 1HG1 ILE 29 3.246 6.146 -1.010 44 2HG1 ILE 29 2HG1 ILE 29 3.572 6.765 -2.624 45 1HG2 ILE 29 1HG2 ILE 29 -0.193 7.650 -0.865 46 2HG2 ILE 29 2HG2 ILE 29 1.289 8.320 -0.181 47 3HG2 ILE 29 3HG2 ILE 29 0.911 6.610 0.036 48 1HD1 ILE 29 1HD1 ILE 29 3.274 8.413 -0.124 49 2HD1 ILE 29 2HD1 ILE 29 3.598 9.039 -1.742 50 3HD1 ILE 29 3HD1 ILE 29 4.786 8.012 -0.939 51 H ASP 30 H ASP 30 -0.735 5.230 -4.274 52 HA ASP 30 HA ASP 30 0.703 4.927 -6.623 53 1HB ASP 30 1HB ASP 30 -1.628 4.269 -6.464 54 2HB ASP 30 2HB ASP 30 -2.123 5.934 -6.228 55 H SER 31 H SER 31 -1.107 7.749 -5.503 56 HA SER 31 HA SER 31 0.847 9.497 -6.697 57 1HB SER 31 1HB SER 31 -1.014 10.688 -8.023 58 2HB SER 31 2HB SER 31 -0.356 9.195 -8.693 59 HG SER 31 HG SER 31 -2.164 8.102 -8.082 60 H VAL 32 H VAL 32 0.844 11.480 -5.854 61 HA VAL 32 HA VAL 32 -0.974 12.097 -3.690 62 HB VAL 32 HB VAL 32 1.308 13.728 -4.834 63 1HG1 VAL 32 1HG1 VAL 32 1.222 14.940 -2.705 64 2HG1 VAL 32 2HG1 VAL 32 -0.180 13.984 -2.225 65 3HG1 VAL 32 3HG1 VAL 32 -0.290 15.084 -3.601 66 1HG2 VAL 32 1HG2 VAL 32 2.611 12.934 -2.888 67 2HG2 VAL 32 2HG2 VAL 32 2.160 11.623 -3.979 68 3HG2 VAL 32 3HG2 VAL 32 1.281 11.856 -2.468 69 H VAL 33 H VAL 33 -2.546 13.669 -3.794 70 HA VAL 33 HA VAL 33 -3.283 14.667 -6.415 71 HB VAL 33 HB VAL 33 -4.554 15.244 -3.727 72 1HG1 VAL 33 1HG1 VAL 33 -5.090 16.900 -5.452 73 2HG1 VAL 33 2HG1 VAL 33 -6.498 15.925 -5.028 74 3HG1 VAL 33 3HG1 VAL 33 -5.622 15.604 -6.525 75 1HG2 VAL 33 1HG2 VAL 33 -6.232 13.565 -4.403 76 2HG2 VAL 33 2HG2 VAL 33 -4.625 12.865 -4.199 77 3HG2 VAL 33 3HG2 VAL 33 -5.251 13.184 -5.818 78 HA PRO 34 HA PRO 34 -0.413 18.061 -5.695 79 1HB PRO 34 1HB PRO 34 -1.572 18.997 -8.258 80 2HB PRO 34 2HB PRO 34 0.118 18.735 -7.816 81 1HG PRO 34 1HG PRO 34 -1.149 17.043 -9.443 82 2HG PRO 34 2HG PRO 34 0.015 16.460 -8.239 83 1HD PRO 34 1HD PRO 34 -2.975 16.405 -8.165 84 2HD PRO 34 2HD PRO 34 -1.812 15.178 -7.627 85 H GLY 35 H GLY 35 -1.034 19.478 -4.219 86 1HA GLY 35 1HA GLY 35 -2.064 21.819 -4.238 87 2HA GLY 35 2HA GLY 35 -3.549 20.962 -4.637 88 H SER 36 H SER 36 -2.539 18.706 -2.905 89 HA SER 36 HA SER 36 -3.714 19.617 -0.428 90 1HB SER 36 1HB SER 36 -3.366 17.228 0.255 91 2HB SER 36 2HB SER 36 -4.281 17.398 -1.241 92 HG SER 36 HG SER 36 -2.577 16.696 -2.398 93 HA PRO 37 HA PRO 37 -0.005 20.430 1.902 94 1HB PRO 37 1HB PRO 37 -0.433 18.880 4.161 95 2HB PRO 37 2HB PRO 37 -1.093 20.498 3.905 96 1HG PRO 37 1HG PRO 37 -2.390 17.835 3.502 97 2HG PRO 37 2HG PRO 37 -3.069 19.325 4.184 98 1HD PRO 37 1HD PRO 37 -3.624 18.572 1.679 99 2HD PRO 37 2HD PRO 37 -3.394 20.283 2.093 100 H ALA 38 H ALA 38 -1.013 17.155 1.290 101 HA ALA 38 HA ALA 38 1.319 15.810 2.139 102 1HB ALA 38 1HB ALA 38 0.460 13.928 0.835 103 2HB ALA 38 2HB ALA 38 -0.729 14.992 0.080 104 3HB ALA 38 3HB ALA 38 -0.806 14.670 1.813 105 H SER 39 H SER 39 0.523 17.551 -0.765 106 HA SER 39 HA SER 39 2.347 16.352 -2.540 107 1HB SER 39 1HB SER 39 1.426 19.236 -2.588 108 2HB SER 39 2HB SER 39 1.984 18.269 -3.952 109 HG SER 39 HG SER 39 0.027 16.900 -2.932 110 H LYS 40 H LYS 40 2.825 18.510 0.079 111 HA LYS 40 HA LYS 40 5.392 19.455 -0.962 112 1HB LYS 40 1HB LYS 40 3.853 20.263 1.514 113 2HB LYS 40 2HB LYS 40 5.335 21.016 0.942 114 1HG LYS 40 1HG LYS 40 4.233 21.814 -1.034 115 2HG LYS 40 2HG LYS 40 2.762 20.933 -0.614 116 1HD LYS 40 1HD LYS 40 2.514 22.296 1.398 117 2HD LYS 40 2HD LYS 40 3.997 23.164 0.998 118 1HE LYS 40 1HE LYS 40 1.493 23.107 -0.685 119 2HE LYS 40 2HE LYS 40 1.981 24.425 0.380 120 1HZ LYS 40 1HZ LYS 40 3.349 23.491 -2.079 121 2HZ LYS 40 2HZ LYS 40 4.062 24.558 -0.973 122 3HZ LYS 40 3HZ LYS 40 2.646 25.008 -1.791 123 H VAL 41 H VAL 41 4.148 17.060 1.097 124 HA VAL 41 HA VAL 41 6.492 17.087 2.850 125 HB VAL 41 HB VAL 41 3.942 15.488 3.111 126 1HG1 VAL 41 1HG1 VAL 41 6.204 15.888 5.067 127 2HG1 VAL 41 2HG1 VAL 41 5.847 14.404 4.184 128 3HG1 VAL 41 3HG1 VAL 41 4.704 15.014 5.381 129 1HG2 VAL 41 1HG2 VAL 41 4.834 18.006 4.515 130 2HG2 VAL 41 2HG2 VAL 41 3.401 17.064 4.929 131 3HG2 VAL 41 3HG2 VAL 41 3.510 17.860 3.360 132 H LEU 42 H LEU 42 4.662 14.818 0.785 133 HA LEU 42 HA LEU 42 6.968 13.010 0.963 134 1HB LEU 42 1HB LEU 42 5.242 11.219 0.381 135 2HB LEU 42 2HB LEU 42 5.309 11.813 2.018 136 HG LEU 42 HG LEU 42 3.334 12.986 0.087 137 1HD1 LEU 42 1HD1 LEU 42 1.708 11.295 0.766 138 2HD1 LEU 42 2HD1 LEU 42 2.959 10.445 1.672 139 3HD1 LEU 42 3HD1 LEU 42 3.068 10.559 -0.084 140 1HD2 LEU 42 1HD2 LEU 42 3.646 14.040 2.278 141 2HD2 LEU 42 2HD2 LEU 42 3.290 12.502 3.065 142 3HD2 LEU 42 3HD2 LEU 42 2.042 13.321 2.126 143 H THR 43 H THR 43 6.731 11.288 -0.847 144 HA THR 43 HA THR 43 6.263 12.631 -3.423 145 HB THR 43 HB THR 43 8.612 10.836 -2.747 146 HG1 THR 43 HG1 THR 43 8.417 13.251 -2.037 147 1HG2 THR 43 1HG2 THR 43 9.458 11.480 -4.966 148 2HG2 THR 43 2HG2 THR 43 7.971 12.378 -5.269 149 3HG2 THR 43 3HG2 THR 43 7.920 10.625 -5.085 150 HA PRO 44 HA PRO 44 3.722 9.025 -3.986 151 1HB PRO 44 1HB PRO 44 3.358 9.237 -6.684 152 2HB PRO 44 2HB PRO 44 2.501 10.234 -5.500 153 1HG PRO 44 1HG PRO 44 4.928 10.895 -7.126 154 2HG PRO 44 2HG PRO 44 3.499 11.892 -6.790 155 1HD PRO 44 1HD PRO 44 5.808 12.228 -5.454 156 2HD PRO 44 2HD PRO 44 4.230 12.448 -4.668 157 H GLY 45 H GLY 45 3.824 6.924 -4.856 158 1HA GLY 45 1HA GLY 45 4.861 5.215 -6.143 159 2HA GLY 45 2HA GLY 45 6.275 6.242 -6.323 160 H LEU 46 H LEU 46 5.495 6.545 -3.180 161 HA LEU 46 HA LEU 46 7.440 4.537 -2.356 162 1HB LEU 46 1HB LEU 46 6.000 6.638 -0.727 163 2HB LEU 46 2HB LEU 46 7.287 5.600 -0.142 164 HG LEU 46 HG LEU 46 7.554 7.732 -2.266 165 1HD1 LEU 46 1HD1 LEU 46 8.560 7.588 0.575 166 2HD1 LEU 46 2HD1 LEU 46 7.298 8.656 -0.038 167 3HD1 LEU 46 3HD1 LEU 46 8.961 8.850 -0.591 168 1HD2 LEU 46 1HD2 LEU 46 9.948 7.240 -2.172 169 2HD2 LEU 46 2HD2 LEU 46 9.028 5.835 -2.708 170 3HD2 LEU 46 3HD2 LEU 46 9.634 5.912 -1.054 171 H VAL 47 H VAL 47 6.960 3.213 -0.399 172 HA VAL 47 HA VAL 47 4.202 2.213 -0.526 173 HB VAL 47 HB VAL 47 6.632 0.854 0.673 174 1HG1 VAL 47 1HG1 VAL 47 3.893 -0.225 0.005 175 2HG1 VAL 47 2HG1 VAL 47 4.516 0.087 1.625 176 3HG1 VAL 47 3HG1 VAL 47 5.249 -1.166 0.624 177 1HG2 VAL 47 1HG2 VAL 47 6.620 -0.566 -1.327 178 2HG2 VAL 47 2HG2 VAL 47 6.919 1.126 -1.727 179 3HG2 VAL 47 3HG2 VAL 47 5.328 0.420 -2.012 180 H ILE 48 H ILE 48 2.942 2.072 1.335 181 HA ILE 48 HA ILE 48 3.953 3.611 3.630 182 HB ILE 48 HB ILE 48 1.111 2.860 2.909 183 1HG1 ILE 48 1HG1 ILE 48 2.573 5.511 2.778 184 2HG1 ILE 48 2HG1 ILE 48 2.047 4.545 1.401 185 1HG2 ILE 48 1HG2 ILE 48 0.467 4.378 4.733 186 2HG2 ILE 48 2HG2 ILE 48 2.168 4.577 5.154 187 3HG2 ILE 48 3HG2 ILE 48 1.400 2.999 5.313 188 1HD1 ILE 48 1HD1 ILE 48 0.279 5.907 3.422 189 2HD1 ILE 48 2HD1 ILE 48 -0.284 4.873 2.110 190 3HD1 ILE 48 3HD1 ILE 48 0.540 6.387 1.745 191 H GLU 49 H GLU 49 4.630 2.536 5.315 192 HA GLU 49 HA GLU 49 4.052 -0.255 5.685 193 1HB GLU 49 1HB GLU 49 6.228 0.726 6.323 194 2HB GLU 49 2HB GLU 49 5.417 1.702 7.533 195 1HG GLU 49 1HG GLU 49 4.537 -0.601 8.383 196 2HG GLU 49 2HG GLU 49 5.931 -1.227 7.502 197 H SER 50 H SER 50 3.411 2.734 7.477 198 HA SER 50 HA SER 50 1.080 1.484 8.665 199 1HB SER 50 1HB SER 50 1.931 2.160 10.978 200 2HB SER 50 2HB SER 50 2.671 0.743 10.236 201 HG SER 50 HG SER 50 4.528 1.783 10.050 202 H ILE 51 H ILE 51 -0.396 2.826 9.533 203 HA ILE 51 HA ILE 51 0.192 5.715 9.518 204 HB ILE 51 HB ILE 51 -2.408 4.408 8.671 205 1HG1 ILE 51 1HG1 ILE 51 -0.408 6.108 7.165 206 2HG1 ILE 51 2HG1 ILE 51 -0.709 4.391 6.916 207 1HG2 ILE 51 1HG2 ILE 51 -1.730 7.327 9.026 208 2HG2 ILE 51 2HG2 ILE 51 -2.861 6.386 9.998 209 3HG2 ILE 51 3HG2 ILE 51 -3.213 6.709 8.300 210 1HD1 ILE 51 1HD1 ILE 51 -1.753 5.770 5.199 211 2HD1 ILE 51 2HD1 ILE 51 -2.692 6.602 6.440 212 3HD1 ILE 51 3HD1 ILE 51 -2.952 4.883 6.140 213 H ASN 52 H ASN 52 0.113 6.448 11.528 214 HA ASN 52 HA ASN 52 -0.209 6.524 13.787 215 1HB ASN 52 1HB ASN 52 -2.665 6.665 12.907 216 2HB ASN 52 2HB ASN 52 -2.783 5.000 13.459 217 1HD2 ASN 52 1HD2 ASN 52 -2.465 8.313 14.403 218 2HD2 ASN 52 2HD2 ASN 52 -2.817 8.084 16.081 219 H GLY 53 H GLY 53 -1.608 4.403 15.357 220 1HA GLY 53 1HA GLY 53 0.618 2.587 15.513 221 2HA GLY 53 2HA GLY 53 -0.828 2.550 16.509 222 H MET 54 H MET 54 -1.775 2.635 13.322 223 HA MET 54 HA MET 54 -2.088 -0.290 13.287 224 1HB MET 54 1HB MET 54 -3.848 1.841 12.059 225 2HB MET 54 2HB MET 54 -4.079 0.112 11.847 226 1HG MET 54 1HG MET 54 -5.606 0.748 13.492 227 2HG MET 54 2HG MET 54 -4.290 -0.028 14.363 228 1HE MET 54 1HE MET 54 -6.029 3.375 13.447 229 2HE MET 54 2HE MET 54 -4.401 3.574 12.800 230 3HE MET 54 3HE MET 54 -4.924 4.542 14.179 231 HA PRO 55 HA PRO 55 0.559 0.218 9.644 232 1HB PRO 55 1HB PRO 55 1.160 -2.411 9.429 233 2HB PRO 55 2HB PRO 55 2.008 -1.319 10.524 234 1HG PRO 55 1HG PRO 55 -0.188 -3.261 11.114 235 2HG PRO 55 2HG PRO 55 1.280 -2.912 12.047 236 1HD PRO 55 1HD PRO 55 -1.145 -1.893 12.702 237 2HD PRO 55 2HD PRO 55 0.370 -1.020 13.003 238 H THR 56 H THR 56 0.228 -0.254 7.470 239 HA THR 56 HA THR 56 -2.406 -1.431 6.906 240 HB THR 56 HB THR 56 -2.266 -0.064 4.772 241 HG1 THR 56 HG1 THR 56 0.056 0.356 5.027 242 1HG2 THR 56 1HG2 THR 56 -2.315 1.419 7.405 243 2HG2 THR 56 2HG2 THR 56 -3.680 0.589 6.660 244 3HG2 THR 56 3HG2 THR 56 -2.978 2.006 5.880 245 H SER 57 H SER 57 -1.834 -3.557 6.535 246 HA SER 57 HA SER 57 0.179 -4.121 4.510 247 1HB SER 57 1HB SER 57 -0.411 -6.531 5.106 248 2HB SER 57 2HB SER 57 0.299 -5.567 6.399 249 HG SER 57 HG SER 57 -1.671 -6.873 6.881 250 H ASN 58 H ASN 58 -3.206 -3.767 4.810 251 HA ASN 58 HA ASN 58 -3.537 -4.765 2.054 252 1HB ASN 58 1HB ASN 58 -5.509 -4.961 4.353 253 2HB ASN 58 2HB ASN 58 -5.935 -5.266 2.676 254 1HD2 ASN 58 1HD2 ASN 58 -3.415 -6.612 2.055 255 2HD2 ASN 58 2HD2 ASN 58 -3.505 -8.153 2.829 256 H LEU 59 H LEU 59 -5.631 -3.725 1.075 257 HA LEU 59 HA LEU 59 -5.434 -0.871 1.458 258 1HB LEU 59 1HB LEU 59 -6.112 -2.563 -0.642 259 2HB LEU 59 2HB LEU 59 -7.616 -1.782 -0.219 260 HG LEU 59 HG LEU 59 -5.053 -0.403 -0.976 261 1HD1 LEU 59 1HD1 LEU 59 -6.155 -1.473 -2.862 262 2HD1 LEU 59 2HD1 LEU 59 -6.269 0.282 -2.980 263 3HD1 LEU 59 3HD1 LEU 59 -7.667 -0.659 -2.456 264 1HD2 LEU 59 1HD2 LEU 59 -7.751 0.761 -0.305 265 2HD2 LEU 59 2HD2 LEU 59 -6.385 1.661 -0.963 266 3HD2 LEU 59 3HD2 LEU 59 -6.269 0.930 0.637 267 H THR 60 H THR 60 -7.676 -3.451 2.215 268 HA THR 60 HA THR 60 -9.840 -1.804 3.029 269 HB THR 60 HB THR 60 -9.291 -4.601 4.026 270 HG1 THR 60 HG1 THR 60 -10.356 -3.741 1.520 271 1HG2 THR 60 1HG2 THR 60 -11.846 -3.102 3.423 272 2HG2 THR 60 2HG2 THR 60 -11.203 -3.443 5.029 273 3HG2 THR 60 3HG2 THR 60 -11.739 -4.768 3.997 274 H THR 61 H THR 61 -6.964 -3.015 4.670 275 HA THR 61 HA THR 61 -7.807 -2.372 7.304 276 HB THR 61 HB THR 61 -5.326 -2.340 7.819 277 HG1 THR 61 HG1 THR 61 -4.313 -1.851 5.962 278 1HG2 THR 61 1HG2 THR 61 -6.680 -4.376 8.034 279 2HG2 THR 61 2HG2 THR 61 -5.042 -4.745 7.498 280 3HG2 THR 61 3HG2 THR 61 -6.373 -4.758 6.340 281 H TYR 62 H TYR 62 -6.096 -0.610 4.783 282 HA TYR 62 HA TYR 62 -5.636 1.808 6.116 283 1HB TYR 62 1HB TYR 62 -4.649 1.362 3.954 284 2HB TYR 62 2HB TYR 62 -6.231 1.193 3.209 285 HD1 TYR 62 HD1 TYR 62 -7.489 3.119 2.518 286 HD2 TYR 62 HD2 TYR 62 -3.775 3.588 4.542 287 HE1 TYR 62 HE1 TYR 62 -7.444 5.488 1.869 288 HE2 TYR 62 HE2 TYR 62 -3.722 5.962 3.899 289 HH TYR 62 HH TYR 62 -4.672 7.424 2.181 290 H SER 63 H SER 63 -8.414 0.629 4.316 291 HA SER 63 HA SER 63 -10.043 2.891 4.486 292 1HB SER 63 1HB SER 63 -10.670 -0.030 4.230 293 2HB SER 63 2HB SER 63 -11.819 1.246 3.946 294 HG SER 63 HG SER 63 -9.373 0.900 2.550 295 H ALA 64 H ALA 64 -9.870 -0.006 6.505 296 HA ALA 64 HA ALA 64 -11.950 0.650 8.269 297 1HB ALA 64 1HB ALA 64 -9.500 -1.016 8.829 298 2HB ALA 64 2HB ALA 64 -10.996 -1.597 8.099 299 3HB ALA 64 3HB ALA 64 -10.995 -1.019 9.766 300 H ALA 65 H ALA 65 -8.569 1.555 8.231 301 HA ALA 65 HA ALA 65 -8.639 2.766 10.846 302 1HB ALA 65 1HB ALA 65 -6.619 3.088 8.629 303 2HB ALA 65 2HB ALA 65 -6.555 1.872 9.904 304 3HB ALA 65 3HB ALA 65 -6.409 3.582 10.312 305 H LEU 66 H LEU 66 -8.980 3.806 7.518 306 HA LEU 66 HA LEU 66 -8.924 6.571 7.876 307 1HB LEU 66 1HB LEU 66 -9.518 4.685 5.822 308 2HB LEU 66 2HB LEU 66 -10.784 5.893 5.840 309 HG LEU 66 HG LEU 66 -8.875 6.358 4.274 310 1HD1 LEU 66 1HD1 LEU 66 -9.374 8.382 6.448 311 2HD1 LEU 66 2HD1 LEU 66 -10.393 8.106 5.036 312 3HD1 LEU 66 3HD1 LEU 66 -8.754 8.726 4.834 313 1HD2 LEU 66 1HD2 LEU 66 -7.391 6.852 6.854 314 2HD2 LEU 66 2HD2 LEU 66 -6.806 7.243 5.236 315 3HD2 LEU 66 3HD2 LEU 66 -7.061 5.560 5.700 316 H LYS 67 H LYS 67 -11.444 4.221 8.435 317 HA LYS 67 HA LYS 67 -13.684 5.883 8.556 318 1HB LYS 67 1HB LYS 67 -13.052 3.406 10.163 319 2HB LYS 67 2HB LYS 67 -14.641 4.152 10.071 320 1HG LYS 67 1HG LYS 67 -14.755 3.684 7.698 321 2HG LYS 67 2HG LYS 67 -13.119 3.023 7.728 322 1HD LYS 67 1HD LYS 67 -14.722 1.215 7.756 323 2HD LYS 67 2HD LYS 67 -13.886 1.289 9.308 324 1HE LYS 67 1HE LYS 67 -15.817 2.557 10.225 325 2HE LYS 67 2HE LYS 67 -16.651 2.321 8.688 326 1HZ LYS 67 1HZ LYS 67 -15.803 0.219 10.608 327 2HZ LYS 67 2HZ LYS 67 -16.410 -0.108 9.059 328 3HZ LYS 67 3HZ LYS 67 -17.390 0.665 10.208 329 H THR 68 H THR 68 -11.112 5.374 10.882 330 HA THR 68 HA THR 68 -12.618 6.727 12.968 331 HB THR 68 HB THR 68 -10.602 6.262 14.387 332 HG1 THR 68 HG1 THR 68 -9.540 5.632 11.994 333 1HG2 THR 68 1HG2 THR 68 -12.537 4.792 14.428 334 2HG2 THR 68 2HG2 THR 68 -11.054 3.846 14.562 335 3HG2 THR 68 3HG2 THR 68 -11.925 3.914 13.029 336 H ILE 69 H ILE 69 -10.448 7.595 10.522 337 HA ILE 69 HA ILE 69 -9.166 9.745 11.977 338 HB ILE 69 HB ILE 69 -9.112 9.275 8.993 339 1HG1 ILE 69 1HG1 ILE 69 -8.352 7.247 10.147 340 2HG1 ILE 69 2HG1 ILE 69 -7.003 8.061 9.361 341 1HG2 ILE 69 1HG2 ILE 69 -7.222 10.739 10.831 342 2HG2 ILE 69 2HG2 ILE 69 -8.354 11.481 9.701 343 3HG2 ILE 69 3HG2 ILE 69 -7.006 10.519 9.094 344 1HD1 ILE 69 1HD1 ILE 69 -6.390 7.231 11.559 345 2HD1 ILE 69 2HD1 ILE 69 -7.674 8.191 12.292 346 3HD1 ILE 69 3HD1 ILE 69 -6.313 8.993 11.506 347 H SER 70 H SER 70 -9.645 11.928 11.815 348 HA SER 70 HA SER 70 -12.118 12.562 10.355 349 1HB SER 70 1HB SER 70 -12.272 12.649 12.863 350 2HB SER 70 2HB SER 70 -11.088 13.957 12.834 351 HG SER 70 HG SER 70 -13.056 14.940 12.845 352 H VAL 71 H VAL 71 -12.232 15.117 10.157 353 HA VAL 71 HA VAL 71 -10.115 15.801 8.331 354 HB VAL 71 HB VAL 71 -12.421 17.539 9.201 355 1HG1 VAL 71 1HG1 VAL 71 -10.753 17.532 6.694 356 2HG1 VAL 71 2HG1 VAL 71 -10.655 18.704 8.007 357 3HG1 VAL 71 3HG1 VAL 71 -12.114 18.604 7.022 358 1HG2 VAL 71 1HG2 VAL 71 -12.333 15.509 6.977 359 2HG2 VAL 71 2HG2 VAL 71 -13.625 16.681 7.234 360 3HG2 VAL 71 3HG2 VAL 71 -13.321 15.428 8.437 361 H GLY 72 H GLY 72 -8.312 16.849 8.902 362 1HA GLY 72 1HA GLY 72 -7.189 18.739 9.815 363 2HA GLY 72 2HA GLY 72 -8.469 18.885 11.013 364 H GLU 73 H GLU 73 -7.661 15.715 10.667 365 HA GLU 73 HA GLU 73 -6.343 15.638 13.225 366 1HB GLU 73 1HB GLU 73 -8.082 13.986 12.511 367 2HB GLU 73 2HB GLU 73 -6.940 13.392 11.321 368 1HG GLU 73 1HG GLU 73 -7.037 11.986 13.319 369 2HG GLU 73 2HG GLU 73 -5.435 12.663 13.038 370 H VAL 74 H VAL 74 -4.294 14.828 13.604 371 HA VAL 74 HA VAL 74 -2.489 14.922 11.279 372 HB VAL 74 HB VAL 74 -1.801 15.403 14.188 373 1HG1 VAL 74 1HG1 VAL 74 0.358 16.170 13.310 374 2HG1 VAL 74 2HG1 VAL 74 -0.144 15.693 11.687 375 3HG1 VAL 74 3HG1 VAL 74 0.060 14.471 12.943 376 1HG2 VAL 74 1HG2 VAL 74 -2.090 17.359 11.910 377 2HG2 VAL 74 2HG2 VAL 74 -1.491 17.747 13.523 378 3HG2 VAL 74 3HG2 VAL 74 -3.159 17.216 13.308 379 H ILE 75 H ILE 75 -2.001 12.944 10.638 380 HA ILE 75 HA ILE 75 -1.857 10.800 12.662 381 HB ILE 75 HB ILE 75 -2.270 9.244 10.738 382 1HG1 ILE 75 1HG1 ILE 75 -2.835 11.830 9.265 383 2HG1 ILE 75 2HG1 ILE 75 -1.489 10.734 8.941 384 1HG2 ILE 75 1HG2 ILE 75 -4.368 11.341 11.264 385 2HG2 ILE 75 2HG2 ILE 75 -4.072 9.883 12.212 386 3HG2 ILE 75 3HG2 ILE 75 -4.666 9.753 10.556 387 1HD1 ILE 75 1HD1 ILE 75 -3.080 9.002 8.271 388 2HD1 ILE 75 2HD1 ILE 75 -3.277 10.468 7.311 389 3HD1 ILE 75 3HD1 ILE 75 -4.418 10.100 8.605 390 H ASN 76 H ASN 76 -0.222 9.212 12.467 391 HA ASN 76 HA ASN 76 2.254 10.198 11.308 392 1HB ASN 76 1HB ASN 76 2.494 9.385 13.524 393 2HB ASN 76 2HB ASN 76 1.578 7.924 13.174 394 1HD2 ASN 76 1HD2 ASN 76 2.594 6.193 12.238 395 2HD2 ASN 76 2HD2 ASN 76 4.305 6.116 12.002 396 H ILE 77 H ILE 77 3.207 9.405 9.533 397 HA ILE 77 HA ILE 77 2.125 6.933 8.333 398 HB ILE 77 HB ILE 77 2.894 9.463 6.845 399 1HG1 ILE 77 1HG1 ILE 77 0.171 8.183 7.264 400 2HG1 ILE 77 2HG1 ILE 77 0.728 9.677 8.012 401 1HG2 ILE 77 1HG2 ILE 77 2.042 8.263 4.861 402 2HG2 ILE 77 2HG2 ILE 77 1.836 6.815 5.848 403 3HG2 ILE 77 3HG2 ILE 77 3.448 7.478 5.577 404 1HD1 ILE 77 1HD1 ILE 77 0.875 10.720 5.809 405 2HD1 ILE 77 2HD1 ILE 77 -0.752 10.127 6.147 406 3HD1 ILE 77 3HD1 ILE 77 0.309 9.224 5.065 407 H THR 78 H THR 78 3.667 5.486 8.286 408 HA THR 78 HA THR 78 6.460 6.335 8.028 409 HB THR 78 HB THR 78 5.501 3.518 8.521 410 HG1 THR 78 HG1 THR 78 4.920 4.095 10.459 411 1HG2 THR 78 1HG2 THR 78 7.689 3.316 9.643 412 2HG2 THR 78 2HG2 THR 78 8.053 4.982 9.190 413 3HG2 THR 78 3HG2 THR 78 7.848 3.752 7.942 414 H THR 79 H THR 79 6.883 6.651 5.868 415 HA THR 79 HA THR 79 6.035 4.525 4.025 416 HB THR 79 HB THR 79 6.622 6.053 2.188 417 HG1 THR 79 HG1 THR 79 7.281 7.818 4.322 418 1HG2 THR 79 1HG2 THR 79 4.337 6.059 3.013 419 2HG2 THR 79 2HG2 THR 79 4.814 7.687 2.526 420 3HG2 THR 79 3HG2 THR 79 4.761 7.258 4.237 421 H ASP 80 H ASP 80 7.672 4.155 2.209 422 HA ASP 80 HA ASP 80 9.785 2.714 3.202 423 1HB ASP 80 1HB ASP 80 8.922 2.343 0.981 424 2HB ASP 80 2HB ASP 80 9.439 3.944 0.466 425 H GLN 81 H GLN 81 9.815 6.093 2.165 426 HA GLN 81 HA GLN 81 12.625 6.241 3.034 427 1HB GLN 81 1HB GLN 81 11.359 7.274 0.523 428 2HB GLN 81 2HB GLN 81 12.782 8.067 1.187 429 1HG GLN 81 1HG GLN 81 14.127 6.198 0.860 430 2HG GLN 81 2HG GLN 81 12.746 5.115 0.696 431 1HE2 GLN 81 1HE2 GLN 81 11.721 4.940 -1.230 432 2HE2 GLN 81 2HE2 GLN 81 12.337 5.619 -2.705 433 H GLY 82 H GLY 82 9.926 6.997 4.231 434 1HA GLY 82 1HA GLY 82 10.896 9.423 5.419 435 2HA GLY 82 2HA GLY 82 9.525 9.704 4.363 436 H THR 83 H THR 83 10.415 9.173 7.482 437 HA THR 83 HA THR 83 7.743 8.146 8.178 438 HB THR 83 HB THR 83 10.072 8.535 10.068 439 HG1 THR 83 HG1 THR 83 9.722 6.668 8.143 440 1HG2 THR 83 1HG2 THR 83 8.827 6.974 11.488 441 2HG2 THR 83 2HG2 THR 83 7.559 6.867 10.268 442 3HG2 THR 83 3HG2 THR 83 7.846 8.391 11.105 443 H PHE 84 H PHE 84 6.305 9.739 8.456 444 HA PHE 84 HA PHE 84 7.089 12.157 9.888 445 1HB PHE 84 1HB PHE 84 5.911 13.508 8.034 446 2HB PHE 84 2HB PHE 84 7.549 12.962 7.747 447 HD1 PHE 84 HD1 PHE 84 4.006 12.146 7.046 448 HD2 PHE 84 HD2 PHE 84 8.068 11.659 5.888 449 HE1 PHE 84 HE1 PHE 84 3.278 11.057 4.963 450 HE2 PHE 84 HE2 PHE 84 7.351 10.569 3.806 451 HZ PHE 84 HZ PHE 84 4.953 10.266 3.340 452 H HIS 85 H HIS 85 5.127 13.680 9.986 453 HA HIS 85 HA HIS 85 2.687 12.079 10.289 454 1HB HIS 85 1HB HIS 85 1.889 13.771 11.897 455 2HB HIS 85 2HB HIS 85 3.350 12.976 12.442 456 HD1 HIS 85 HD1 HIS 85 3.666 15.003 14.077 457 HD2 HIS 85 HD2 HIS 85 3.888 15.984 10.036 458 HE1 HIS 85 HE1 HIS 85 4.653 17.315 13.988 459 HE2 HIS 85 HE2 HIS 85 4.580 17.960 11.558 460 H LEU 86 H LEU 86 0.697 13.015 9.607 461 HA LEU 86 HA LEU 86 1.018 15.221 7.692 462 1HB LEU 86 1HB LEU 86 1.129 12.924 6.617 463 2HB LEU 86 2HB LEU 86 -0.538 12.721 7.102 464 HG LEU 86 HG LEU 86 0.113 15.117 5.466 465 1HD1 LEU 86 1HD1 LEU 86 -0.119 12.331 4.337 466 2HD1 LEU 86 2HD1 LEU 86 1.347 13.312 4.357 467 3HD1 LEU 86 3HD1 LEU 86 -0.046 13.829 3.407 468 1HD2 LEU 86 1HD2 LEU 86 -2.089 14.637 4.540 469 2HD2 LEU 86 2HD2 LEU 86 -2.157 14.702 6.301 470 3HD2 LEU 86 3HD2 LEU 86 -2.171 13.144 5.474 471 H LYS 87 H LYS 87 -0.666 16.544 7.498 472 HA LYS 87 HA LYS 87 -2.853 16.286 9.413 473 1HB LYS 87 1HB LYS 87 -1.669 18.405 9.422 474 2HB LYS 87 2HB LYS 87 -1.895 18.582 7.689 475 1HG LYS 87 1HG LYS 87 -4.364 18.682 8.110 476 2HG LYS 87 2HG LYS 87 -3.993 18.742 9.836 477 1HD LYS 87 1HD LYS 87 -2.733 20.786 9.534 478 2HD LYS 87 2HD LYS 87 -2.963 20.706 7.787 479 1HE LYS 87 1HE LYS 87 -5.402 20.914 8.137 480 2HE LYS 87 2HE LYS 87 -5.116 21.070 9.869 481 1HZ LYS 87 1HZ LYS 87 -4.169 22.935 7.756 482 2HZ LYS 87 2HZ LYS 87 -3.792 23.067 9.403 483 3HZ LYS 87 3HZ LYS 87 -5.399 23.231 8.883 484 H THR 88 H THR 88 -4.715 15.397 8.719 485 HA THR 88 HA THR 88 -5.140 14.664 6.040 486 HB THR 88 HB THR 88 -7.505 14.242 6.720 487 HG1 THR 88 HG1 THR 88 -7.751 14.356 9.122 488 1HG2 THR 88 1HG2 THR 88 -5.789 12.526 6.914 489 2HG2 THR 88 2HG2 THR 88 -6.931 12.408 8.252 490 3HG2 THR 88 3HG2 THR 88 -5.341 13.131 8.508 491 H GLY 89 H GLY 89 -5.781 15.725 4.362 492 1HA GLY 89 1HA GLY 89 -6.771 18.444 4.689 493 2HA GLY 89 2HA GLY 89 -6.090 17.758 3.217 494 H ARG 90 H ARG 90 -8.230 19.089 2.796 495 HA ARG 90 HA ARG 90 -10.249 17.078 2.241 496 1HB ARG 90 1HB ARG 90 -12.083 18.623 2.995 497 2HB ARG 90 2HB ARG 90 -11.135 17.913 4.288 498 1HG ARG 90 1HG ARG 90 -10.560 20.669 3.241 499 2HG ARG 90 2HG ARG 90 -11.769 20.377 4.490 500 1HD ARG 90 1HD ARG 90 -10.039 19.308 5.883 501 2HD ARG 90 2HD ARG 90 -8.842 19.663 4.637 502 HE ARG 90 HE ARG 90 -9.795 22.105 5.132 503 1HH1 ARG 90 1HH1 ARG 90 -8.781 19.565 7.328 504 2HH1 ARG 90 2HH1 ARG 90 -8.285 20.666 8.581 505 1HH2 ARG 90 1HH2 ARG 90 -9.106 23.556 6.773 506 2HH2 ARG 90 2HH2 ARG 90 -8.472 22.924 8.262 507 H ASN 91 H ASN 91 -9.157 17.483 0.171 508 HA ASN 91 HA ASN 91 -9.515 19.878 -1.261 509 1HB ASN 91 1HB ASN 91 -9.338 17.035 -2.295 510 2HB ASN 91 2HB ASN 91 -9.249 18.475 -3.306 511 1HD2 ASN 91 1HD2 ASN 91 -7.408 19.769 -3.235 512 2HD2 ASN 91 2HD2 ASN 91 -5.934 19.219 -2.517 513 HA PRO 92 HA PRO 92 -13.900 18.239 -2.375 514 1HB PRO 92 1HB PRO 92 -14.819 16.099 -0.993 515 2HB PRO 92 2HB PRO 92 -14.018 15.940 -2.561 516 1HG PRO 92 1HG PRO 92 -12.911 15.523 0.186 517 2HG PRO 92 2HG PRO 92 -12.655 14.563 -1.283 518 1HD PRO 92 1HD PRO 92 -10.854 16.379 -0.358 519 2HD PRO 92 2HD PRO 92 -11.040 15.992 -2.080 520 H ASN 93 H ASN 93 -15.310 19.547 -1.351 521 HA ASN 93 HA ASN 93 -14.910 19.936 1.539 522 1HB ASN 93 1HB ASN 93 -14.684 21.835 -0.267 523 2HB ASN 93 2HB ASN 93 -16.440 21.863 -0.169 524 1HD2 ASN 93 1HD2 ASN 93 -16.441 21.165 2.701 525 2HD2 ASN 93 2HD2 ASN 93 -15.943 22.610 3.526 526 H ASN 94 H ASN 94 -17.228 19.078 -0.899 527 HA ASN 94 HA ASN 94 -19.470 19.146 0.912 528 1HB ASN 94 1HB ASN 94 -19.887 19.420 -1.476 529 2HB ASN 94 2HB ASN 94 -19.169 17.844 -1.807 530 1HD2 ASN 94 1HD2 ASN 94 -20.364 16.016 -1.492 531 2HD2 ASN 94 2HD2 ASN 94 -22.034 16.029 -1.037 532 H SER 95 H SER 95 -19.918 17.688 2.379 533 HA SER 95 HA SER 95 -19.837 15.833 3.673 534 1HB SER 95 1HB SER 95 -20.562 14.614 1.613 535 2HB SER 95 2HB SER 95 -18.867 14.361 1.205 536 HG SER 95 HG SER 95 -18.914 13.453 3.557 537 H SER 96 H SER 96 -18.190 16.966 4.770 538 HA SER 96 HA SER 96 -15.455 16.803 4.024 539 1HB SER 96 1HB SER 96 -16.566 17.499 6.747 540 2HB SER 96 2HB SER 96 -15.011 17.984 6.073 541 HG SER 96 HG SER 96 -17.604 18.850 5.354 542 H ARG 97 H ARG 97 -14.198 15.119 4.206 543 HA ARG 97 HA ARG 97 -14.113 13.646 6.685 544 1HB ARG 97 1HB ARG 97 -13.954 11.466 5.308 545 2HB ARG 97 2HB ARG 97 -15.542 12.124 5.665 546 1HG ARG 97 1HG ARG 97 -15.699 13.034 3.434 547 2HG ARG 97 2HG ARG 97 -14.056 12.491 3.072 548 1HD ARG 97 1HD ARG 97 -14.667 10.236 3.116 549 2HD ARG 97 2HD ARG 97 -16.172 10.568 3.970 550 HE ARG 97 HE ARG 97 -17.018 11.528 1.893 551 1HH1 ARG 97 1HH1 ARG 97 -14.105 9.605 1.639 552 2HH1 ARG 97 2HH1 ARG 97 -14.448 9.075 0.021 553 1HH2 ARG 97 1HH2 ARG 97 -17.477 10.849 -0.219 554 2HH2 ARG 97 2HH2 ARG 97 -16.369 9.797 -1.059 555 H ALA 98 H ALA 98 -12.165 12.263 6.796 556 HA ALA 98 HA ALA 98 -9.870 13.697 6.111 557 1HB ALA 98 1HB ALA 98 -9.936 12.116 7.964 558 2HB ALA 98 2HB ALA 98 -8.624 11.724 6.852 559 3HB ALA 98 3HB ALA 98 -10.111 10.777 6.828 560 H TYR 99 H TYR 99 -8.940 13.960 4.179 561 HA TYR 99 HA TYR 99 -9.383 11.859 2.159 562 1HB TYR 99 1HB TYR 99 -10.351 14.075 1.603 563 2HB TYR 99 2HB TYR 99 -8.743 14.785 1.703 564 HD1 TYR 99 HD1 TYR 99 -10.601 12.082 -0.069 565 HD2 TYR 99 HD2 TYR 99 -7.476 14.960 -0.229 566 HE1 TYR 99 HE1 TYR 99 -10.235 11.539 -2.437 567 HE2 TYR 99 HE2 TYR 99 -7.093 14.426 -2.599 568 HH TYR 99 HH TYR 99 -7.489 12.618 -4.169 569 H MET 100 H MET 100 -7.063 13.648 3.928 570 HA MET 100 HA MET 100 -4.835 13.415 4.240 571 1HB MET 100 1HB MET 100 -5.295 10.963 4.040 572 2HB MET 100 2HB MET 100 -4.954 11.086 2.320 573 1HG MET 100 1HG MET 100 -2.679 11.778 2.800 574 2HG MET 100 2HG MET 100 -3.016 11.721 4.529 575 1HE MET 100 1HE MET 100 -3.705 9.449 5.799 576 2HE MET 100 2HE MET 100 -3.700 7.861 5.033 577 3HE MET 100 3HE MET 100 -4.915 9.055 4.577 578 H GLY 101 H GLY 101 -5.440 12.639 0.793 579 1HA GLY 101 1HA GLY 101 -5.053 14.569 -0.750 580 2HA GLY 101 2HA GLY 101 -3.552 14.818 0.126 581 H ILE 102 H ILE 102 -4.226 11.534 -0.234 582 HA ILE 102 HA ILE 102 -2.730 11.337 -2.754 583 HB ILE 102 HB ILE 102 -1.336 9.513 -1.788 584 1HG1 ILE 102 1HG1 ILE 102 -1.075 9.705 0.798 585 2HG1 ILE 102 2HG1 ILE 102 -2.685 10.412 0.753 586 1HG2 ILE 102 1HG2 ILE 102 0.204 10.995 -0.547 587 2HG2 ILE 102 2HG2 ILE 102 -1.050 12.236 -0.539 588 3HG2 ILE 102 3HG2 ILE 102 -0.365 11.681 -2.067 589 1HD1 ILE 102 1HD1 ILE 102 -2.771 8.058 1.298 590 2HD1 ILE 102 2HD1 ILE 102 -1.927 7.660 -0.200 591 3HD1 ILE 102 3HD1 ILE 102 -3.544 8.362 -0.258 592 H ARG 103 H ARG 103 -2.813 9.166 -3.676 593 HA ARG 103 HA ARG 103 -5.168 7.645 -2.772 594 1HB ARG 103 1HB ARG 103 -4.162 8.329 -5.467 595 2HB ARG 103 2HB ARG 103 -4.740 6.681 -5.266 596 1HG ARG 103 1HG ARG 103 -6.319 9.168 -4.623 597 2HG ARG 103 2HG ARG 103 -6.494 8.189 -6.082 598 1HD ARG 103 1HD ARG 103 -7.121 6.261 -4.726 599 2HD ARG 103 2HD ARG 103 -6.921 7.218 -3.261 600 HE ARG 103 HE ARG 103 -8.753 8.664 -4.525 601 1HH1 ARG 103 1HH1 ARG 103 -8.527 5.185 -4.210 602 2HH1 ARG 103 2HH1 ARG 103 -10.244 4.947 -4.129 603 1HH2 ARG 103 1HH2 ARG 103 -11.016 8.352 -4.450 604 2HH2 ARG 103 2HH2 ARG 103 -11.659 6.744 -4.316 605 H THR 104 H THR 104 -4.864 5.615 -2.094 606 HA THR 104 HA THR 104 -2.153 4.507 -2.345 607 HB THR 104 HB THR 104 -2.989 3.058 -0.360 608 HG1 THR 104 HG1 THR 104 -5.114 3.612 -0.224 609 1HG2 THR 104 1HG2 THR 104 -2.255 4.755 1.241 610 2HG2 THR 104 2HG2 THR 104 -2.431 6.002 0.005 611 3HG2 THR 104 3HG2 THR 104 -1.220 4.733 -0.185 612 H SER 105 H SER 105 -1.831 2.465 -3.039 613 HA SER 105 HA SER 105 -4.045 0.604 -3.239 614 1HB SER 105 1HB SER 105 -2.383 1.247 -5.687 615 2HB SER 105 2HB SER 105 -3.702 0.086 -5.583 616 HG SER 105 HG SER 105 -4.553 2.487 -4.737 617 H ASN 106 H ASN 106 -3.315 -1.555 -3.431 618 HA ASN 106 HA ASN 106 -0.875 -2.043 -2.044 619 1HB ASN 106 1HB ASN 106 -2.608 -4.030 -3.536 620 2HB ASN 106 2HB ASN 106 -1.411 -4.407 -2.304 621 1HD2 ASN 106 1HD2 ASN 106 -1.892 -4.035 -0.163 622 2HD2 ASN 106 2HD2 ASN 106 -3.496 -3.734 0.388 623 H HIS 107 H HIS 107 -1.840 -1.909 -5.318 624 HA HIS 107 HA HIS 107 -0.918 -2.413 -7.322 625 1HB HIS 107 1HB HIS 107 0.854 -0.843 -6.287 626 2HB HIS 107 2HB HIS 107 1.792 -2.306 -6.010 627 HD1 HIS 107 HD1 HIS 107 2.734 -0.013 -7.876 628 HD2 HIS 107 HD2 HIS 107 0.799 -3.462 -9.159 629 HE1 HIS 107 HE1 HIS 107 3.384 -0.297 -10.291 630 HE2 HIS 107 HE2 HIS 107 2.028 -2.262 -11.093 631 H LEU 108 H LEU 108 -1.691 -4.535 -5.603 632 HA LEU 108 HA LEU 108 0.072 -6.704 -5.589 633 1HB LEU 108 1HB LEU 108 -2.931 -6.548 -5.782 634 2HB LEU 108 2HB LEU 108 -2.091 -8.086 -5.773 635 HG LEU 108 HG LEU 108 -1.559 -6.146 -3.577 636 1HD1 LEU 108 1HD1 LEU 108 -4.011 -6.246 -3.773 637 2HD1 LEU 108 2HD1 LEU 108 -3.437 -7.032 -2.304 638 3HD1 LEU 108 3HD1 LEU 108 -3.931 -8.008 -3.687 639 1HD2 LEU 108 1HD2 LEU 108 -0.217 -8.156 -3.680 640 2HD2 LEU 108 2HD2 LEU 108 -1.670 -9.150 -3.756 641 3HD2 LEU 108 3HD2 LEU 108 -1.305 -8.240 -2.289 642 H ARG 109 H ARG 109 0.054 -8.573 -6.998 643 HA ARG 109 HA ARG 109 0.537 -7.760 -9.669 644 1HB ARG 109 1HB ARG 109 0.887 -10.179 -8.098 645 2HB ARG 109 2HB ARG 109 0.409 -10.526 -9.755 646 1HG ARG 109 1HG ARG 109 2.854 -10.457 -9.446 647 2HG ARG 109 2HG ARG 109 2.271 -9.272 -10.614 648 1HD ARG 109 1HD ARG 109 3.882 -8.167 -9.270 649 2HD ARG 109 2HD ARG 109 2.303 -7.579 -8.751 650 HE ARG 109 HE ARG 109 3.526 -9.785 -7.259 651 1HH1 ARG 109 1HH1 ARG 109 2.645 -6.391 -7.411 652 2HH1 ARG 109 2HH1 ARG 109 2.851 -6.124 -5.704 653 1HH2 ARG 109 1HH2 ARG 109 3.851 -9.431 -5.020 654 2HH2 ARG 109 2HH2 ARG 109 3.565 -7.846 -4.353 655 H VAL 110 H VAL 110 -0.624 -7.875 -11.459 656 HA VAL 110 HA VAL 110 -3.390 -7.736 -11.286 657 HB VAL 110 HB VAL 110 -2.114 -6.698 -13.091 658 1HG1 VAL 110 1HG1 VAL 110 -0.497 -8.475 -13.511 659 2HG1 VAL 110 2HG1 VAL 110 -1.309 -7.983 -14.997 660 3HG1 VAL 110 3HG1 VAL 110 -1.774 -9.483 -14.194 661 1HG2 VAL 110 1HG2 VAL 110 -4.493 -7.013 -13.420 662 2HG2 VAL 110 2HG2 VAL 110 -4.211 -8.624 -14.083 663 3HG2 VAL 110 3HG2 VAL 110 -3.635 -7.201 -14.950 664 H ARG 111 H ARG 111 -5.045 -9.064 -11.666 665 HA ARG 111 HA ARG 111 -4.494 -11.887 -12.263 666 1HB ARG 111 1HB ARG 111 -6.281 -12.474 -10.597 667 2HB ARG 111 2HB ARG 111 -4.826 -11.796 -9.883 668 1HG ARG 111 1HG ARG 111 -5.898 -9.654 -9.608 669 2HG ARG 111 2HG ARG 111 -7.340 -10.235 -10.442 670 1HD ARG 111 1HD ARG 111 -7.795 -11.800 -8.671 671 2HD ARG 111 2HD ARG 111 -6.264 -11.413 -7.886 672 HE ARG 111 HE ARG 111 -7.344 -9.037 -7.807 673 1HH1 ARG 111 1HH1 ARG 111 -9.025 -12.090 -7.369 674 2HH1 ARG 111 2HH1 ARG 111 -10.173 -11.427 -6.243 675 1HH2 ARG 111 1HH2 ARG 111 -8.853 -8.188 -6.316 676 2HH2 ARG 111 2HH2 ARG 111 -10.078 -9.222 -5.642 677 H ASP 112 H ASP 112 -6.075 -12.944 -13.443 678 HA ASP 112 HA ASP 112 -8.296 -11.260 -14.403 679 1HB ASP 112 1HB ASP 112 -6.719 -11.756 -16.207 680 2HB ASP 112 2HB ASP 112 -6.852 -13.480 -15.870 681 H SER 113 H SER 113 -9.885 -11.854 -13.076 682 HA SER 113 HA SER 113 -10.866 -14.588 -13.287 683 1HB SER 113 1HB SER 113 -10.546 -13.226 -10.599 684 2HB SER 113 2HB SER 113 -11.133 -14.860 -10.897 685 HG SER 113 HG SER 113 -8.826 -14.843 -12.034 686 H VAL 114 H VAL 114 -12.966 -14.493 -13.744 687 HA VAL 114 HA VAL 114 -14.402 -12.000 -13.383 688 HB VAL 114 HB VAL 114 -16.251 -13.134 -14.595 689 1HG1 VAL 114 1HG1 VAL 114 -13.556 -13.261 -15.943 690 2HG1 VAL 114 2HG1 VAL 114 -14.596 -11.843 -15.822 691 3HG1 VAL 114 3HG1 VAL 114 -15.113 -13.238 -16.770 692 1HG2 VAL 114 1HG2 VAL 114 -15.845 -15.310 -15.649 693 2HG2 VAL 114 2HG2 VAL 114 -15.812 -15.435 -13.890 694 3HG2 VAL 114 3HG2 VAL 114 -14.302 -15.434 -14.804 695 H ALA 115 H ALA 115 -16.431 -11.862 -12.300 696 HA ALA 115 HA ALA 115 -16.650 -13.560 -9.971 697 1HB ALA 115 1HB ALA 115 -17.062 -11.182 -9.730 698 2HB ALA 115 2HB ALA 115 -18.529 -12.088 -9.361 699 3HB ALA 115 3HB ALA 115 -18.369 -11.265 -10.912 700 H SER 116 H SER 116 -18.579 -14.746 -9.430 701 HA SER 116 HA SER 116 -19.538 -16.267 -11.648 702 1HB SER 116 1HB SER 116 -20.346 -16.276 -8.733 703 2HB SER 116 2HB SER 116 -20.870 -17.465 -9.925 704 HG SER 116 HG SER 116 -18.125 -17.001 -9.690 705 H VAL 117 H VAL 117 -21.180 -15.795 -12.926 706 HA VAL 117 HA VAL 117 -23.509 -14.440 -11.776 707 HB VAL 117 HB VAL 117 -22.303 -12.700 -12.974 708 1HG1 VAL 117 1HG1 VAL 117 -21.924 -12.828 -15.399 709 2HG1 VAL 117 2HG1 VAL 117 -22.466 -14.507 -15.379 710 3HG1 VAL 117 3HG1 VAL 117 -21.004 -14.043 -14.510 711 1HG2 VAL 117 1HG2 VAL 117 -24.720 -12.594 -13.038 712 2HG2 VAL 117 2HG2 VAL 117 -24.750 -13.625 -14.471 713 3HG2 VAL 117 3HG2 VAL 117 -24.051 -12.008 -14.561 714 H LEU 118 H LEU 118 -25.342 -15.448 -12.200 715 HA LEU 118 HA LEU 118 -25.294 -17.705 -14.056 716 1HB LEU 118 1HB LEU 118 -27.275 -16.844 -11.949 717 2HB LEU 118 2HB LEU 118 -27.565 -18.178 -13.045 718 HG LEU 118 HG LEU 118 -25.455 -19.240 -12.111 719 1HD1 LEU 118 1HD1 LEU 118 -24.734 -18.516 -9.897 720 2HD1 LEU 118 2HD1 LEU 118 -25.845 -17.147 -9.977 721 3HD1 LEU 118 3HD1 LEU 118 -24.483 -17.245 -11.094 722 1HD2 LEU 118 1HD2 LEU 118 -27.764 -18.782 -10.232 723 2HD2 LEU 118 2HD2 LEU 118 -26.618 -20.122 -10.165 724 3HD2 LEU 118 3HD2 LEU 118 -27.718 -19.967 -11.535 725 H GLY 119 H GLY 119 -27.249 -14.840 -13.332 726 1HA GLY 119 1HA GLY 119 -28.364 -13.424 -14.769 727 2HA GLY 119 2HA GLY 119 -27.751 -14.366 -16.121 728 H ASP 120 H ASP 120 -29.649 -14.484 -17.217 729 HA ASP 120 HA ASP 120 -31.543 -15.497 -17.937 730 1HB ASP 120 1HB ASP 120 -30.540 -17.503 -16.604 731 2HB ASP 120 2HB ASP 120 -31.787 -17.118 -15.420 732 H THR 121 H THR 121 -33.819 -15.261 -17.703 733 HA THR 121 HA THR 121 -34.494 -13.316 -15.635 734 HB THR 121 HB THR 121 -36.100 -13.944 -18.039 735 HG1 THR 121 HG1 THR 121 -34.220 -13.133 -18.859 736 1HG2 THR 121 1HG2 THR 121 -37.089 -11.741 -17.628 737 2HG2 THR 121 2HG2 THR 121 -36.060 -11.560 -16.207 738 3HG2 THR 121 3HG2 THR 121 -37.302 -12.812 -16.242 739 H LEU 122 H LEU 122 -35.086 -14.445 -13.875 740 HA LEU 122 HA LEU 122 -36.853 -16.724 -14.084 741 1HB LEU 122 1HB LEU 122 -35.821 -15.268 -11.648 742 2HB LEU 122 2HB LEU 122 -36.679 -16.797 -11.637 743 HG LEU 122 HG LEU 122 -33.972 -16.331 -12.894 744 1HD1 LEU 122 1HD1 LEU 122 -34.740 -17.735 -10.338 745 2HD1 LEU 122 2HD1 LEU 122 -33.848 -16.219 -10.475 746 3HD1 LEU 122 3HD1 LEU 122 -33.129 -17.721 -11.056 747 1HD2 LEU 122 1HD2 LEU 122 -35.238 -18.062 -14.049 748 2HD2 LEU 122 2HD2 LEU 122 -35.564 -18.867 -12.513 749 3HD2 LEU 122 3HD2 LEU 122 -33.913 -18.769 -13.125 750 HA PRO 123 HA PRO 123 -40.392 -14.026 -13.903 751 1HB PRO 123 1HB PRO 123 -42.280 -15.893 -14.278 752 2HB PRO 123 2HB PRO 123 -41.178 -15.418 -15.579 753 1HG PRO 123 1HG PRO 123 -41.069 -17.810 -13.780 754 2HG PRO 123 2HG PRO 123 -40.790 -17.712 -15.528 755 1HD PRO 123 1HD PRO 123 -38.784 -17.777 -13.663 756 2HD PRO 123 2HD PRO 123 -38.619 -17.033 -15.266 757 H PHE 124 H PHE 124 -39.210 -15.204 -11.374 758 HA PHE 124 HA PHE 124 -41.669 -15.036 -9.790 759 1HB PHE 124 1HB PHE 124 -39.607 -17.214 -9.647 760 2HB PHE 124 2HB PHE 124 -40.554 -16.781 -8.227 761 HD1 PHE 124 HD1 PHE 124 -40.547 -18.492 -11.409 762 HD2 PHE 124 HD2 PHE 124 -43.017 -17.016 -8.278 763 HE1 PHE 124 HE1 PHE 124 -42.390 -19.920 -12.194 764 HE2 PHE 124 HE2 PHE 124 -44.864 -18.445 -9.054 765 HZ PHE 124 HZ PHE 124 -44.550 -19.901 -11.014 766 H ALA 125 H ALA 125 -41.545 -13.671 -8.184 767 HA ALA 125 HA ALA 125 -38.910 -12.933 -7.106 768 1HB ALA 125 1HB ALA 125 -41.245 -11.081 -7.611 769 2HB ALA 125 2HB ALA 125 -39.737 -11.116 -8.523 770 3HB ALA 125 3HB ALA 125 -39.729 -10.633 -6.828 Start of MODEL 19 1 H GLN 23 H GLN 23 -2.254 -12.832 0.330 2 HA GLN 23 HA GLN 23 -0.714 -11.568 -0.707 3 1HB GLN 23 1HB GLN 23 -3.148 -10.261 -1.931 4 2HB GLN 23 2HB GLN 23 -1.495 -9.980 -2.461 5 1HG GLN 23 1HG GLN 23 -1.277 -12.364 -2.996 6 2HG GLN 23 2HG GLN 23 -2.954 -12.610 -2.509 7 1HE2 GLN 23 1HE2 GLN 23 -3.791 -10.043 -3.608 8 2HE2 GLN 23 2HE2 GLN 23 -3.836 -10.246 -5.327 9 HA PRO 24 HA PRO 24 -1.011 -8.015 2.134 10 1HB PRO 24 1HB PRO 24 0.776 -8.876 3.979 11 2HB PRO 24 2HB PRO 24 -0.932 -9.315 4.029 12 1HG PRO 24 1HG PRO 24 1.399 -10.962 3.368 13 2HG PRO 24 2HG PRO 24 -0.226 -11.465 3.853 14 1HD PRO 24 1HD PRO 24 0.906 -11.362 1.205 15 2HD PRO 24 2HD PRO 24 -0.696 -11.946 1.695 16 H ASP 25 H ASP 25 0.023 -6.549 0.861 17 HA ASP 25 HA ASP 25 2.973 -6.757 0.731 18 1HB ASP 25 1HB ASP 25 1.019 -6.055 -1.422 19 2HB ASP 25 2HB ASP 25 2.594 -5.272 -1.426 20 H GLY 26 H GLY 26 0.216 -4.842 1.431 21 1HA GLY 26 1HA GLY 26 0.432 -2.898 2.840 22 2HA GLY 26 2HA GLY 26 1.968 -2.558 2.047 23 H VAL 27 H VAL 27 0.355 -0.490 2.147 24 HA VAL 27 HA VAL 27 -1.040 -0.427 -0.429 25 HB VAL 27 HB VAL 27 -2.000 1.741 0.332 26 1HG1 VAL 27 1HG1 VAL 27 -2.499 -0.643 2.103 27 2HG1 VAL 27 2HG1 VAL 27 -3.258 -0.321 0.544 28 3HG1 VAL 27 3HG1 VAL 27 -3.582 0.737 1.917 29 1HG2 VAL 27 1HG2 VAL 27 -1.906 2.229 2.765 30 2HG2 VAL 27 2HG2 VAL 27 -0.367 2.446 1.934 31 3HG2 VAL 27 3HG2 VAL 27 -0.639 1.009 2.921 32 H GLN 28 H GLN 28 -0.343 0.692 -2.091 33 HA GLN 28 HA GLN 28 2.225 2.075 -1.825 34 1HB GLN 28 1HB GLN 28 2.321 0.433 -3.486 35 2HB GLN 28 2HB GLN 28 0.728 0.819 -4.105 36 1HG GLN 28 1HG GLN 28 2.228 1.567 -5.729 37 2HG GLN 28 2HG GLN 28 1.733 3.022 -4.869 38 1HE2 GLN 28 1HE2 GLN 28 3.553 4.146 -5.461 39 2HE2 GLN 28 2HE2 GLN 28 5.114 3.799 -4.808 40 H ILE 29 H ILE 29 2.464 4.197 -2.166 41 HA ILE 29 HA ILE 29 0.118 5.846 -2.482 42 HB ILE 29 HB ILE 29 3.028 6.657 -2.422 43 1HG1 ILE 29 1HG1 ILE 29 0.939 6.640 -0.231 44 2HG1 ILE 29 2HG1 ILE 29 2.335 5.575 -0.335 45 1HG2 ILE 29 1HG2 ILE 29 1.662 8.333 -3.509 46 2HG2 ILE 29 2HG2 ILE 29 2.168 8.909 -1.921 47 3HG2 ILE 29 3HG2 ILE 29 0.525 8.316 -2.162 48 1HD1 ILE 29 1HD1 ILE 29 3.819 7.495 -0.078 49 2HD1 ILE 29 2HD1 ILE 29 2.698 7.351 1.277 50 3HD1 ILE 29 3HD1 ILE 29 2.419 8.562 0.024 51 H ASP 30 H ASP 30 -0.757 6.163 -4.376 52 HA ASP 30 HA ASP 30 0.588 5.548 -6.823 53 1HB ASP 30 1HB ASP 30 -1.808 5.116 -6.545 54 2HB ASP 30 2HB ASP 30 -2.103 6.832 -6.313 55 H SER 31 H SER 31 -1.127 8.521 -5.878 56 HA SER 31 HA SER 31 1.078 10.105 -6.901 57 1HB SER 31 1HB SER 31 -0.582 11.402 -8.375 58 2HB SER 31 2HB SER 31 -0.043 9.827 -8.956 59 HG SER 31 HG SER 31 -1.989 8.934 -8.371 60 H VAL 32 H VAL 32 1.064 12.232 -6.238 61 HA VAL 32 HA VAL 32 -0.734 12.846 -4.022 62 HB VAL 32 HB VAL 32 1.780 14.267 -4.930 63 1HG1 VAL 32 1HG1 VAL 32 0.061 14.630 -2.481 64 2HG1 VAL 32 2HG1 VAL 32 0.334 15.799 -3.775 65 3HG1 VAL 32 3HG1 VAL 32 1.656 15.342 -2.700 66 1HG2 VAL 32 1HG2 VAL 32 2.811 13.268 -2.925 67 2HG2 VAL 32 2HG2 VAL 32 2.296 12.049 -4.093 68 3HG2 VAL 32 3HG2 VAL 32 1.334 12.348 -2.647 69 H VAL 33 H VAL 33 -2.477 13.995 -4.457 70 HA VAL 33 HA VAL 33 -2.562 15.591 -6.917 71 HB VAL 33 HB VAL 33 -4.855 14.716 -5.139 72 1HG1 VAL 33 1HG1 VAL 33 -4.860 15.924 -7.899 73 2HG1 VAL 33 2HG1 VAL 33 -5.379 16.713 -6.410 74 3HG1 VAL 33 3HG1 VAL 33 -6.275 15.330 -7.034 75 1HG2 VAL 33 1HG2 VAL 33 -3.801 12.778 -6.128 76 2HG2 VAL 33 2HG2 VAL 33 -3.848 13.529 -7.722 77 3HG2 VAL 33 3HG2 VAL 33 -5.351 13.075 -6.916 78 HA PRO 34 HA PRO 34 -2.161 19.259 -4.416 79 1HB PRO 34 1HB PRO 34 -3.008 21.043 -6.325 80 2HB PRO 34 2HB PRO 34 -1.371 20.384 -6.234 81 1HG PRO 34 1HG PRO 34 -3.652 19.557 -7.975 82 2HG PRO 34 2HG PRO 34 -1.929 19.690 -8.369 83 1HD PRO 34 1HD PRO 34 -3.113 17.316 -7.880 84 2HD PRO 34 2HD PRO 34 -1.425 17.645 -7.438 85 H GLY 35 H GLY 35 -3.896 18.587 -3.034 86 1HA GLY 35 1HA GLY 35 -6.158 20.412 -3.253 87 2HA GLY 35 2HA GLY 35 -6.539 18.697 -3.153 88 H SER 36 H SER 36 -3.721 19.810 -1.558 89 HA SER 36 HA SER 36 -4.755 20.509 0.949 90 1HB SER 36 1HB SER 36 -4.216 18.419 2.203 91 2HB SER 36 2HB SER 36 -5.546 18.197 1.068 92 HG SER 36 HG SER 36 -3.585 17.567 -0.375 93 HA PRO 37 HA PRO 37 -0.515 21.639 1.509 94 1HB PRO 37 1HB PRO 37 -0.075 21.084 4.161 95 2HB PRO 37 2HB PRO 37 -0.941 22.511 3.578 96 1HG PRO 37 1HG PRO 37 -2.029 19.916 4.603 97 2HG PRO 37 2HG PRO 37 -2.578 21.570 4.936 98 1HD PRO 37 1HD PRO 37 -3.854 19.988 3.187 99 2HD PRO 37 2HD PRO 37 -3.691 21.735 2.909 100 H ALA 38 H ALA 38 -1.508 18.440 1.805 101 HA ALA 38 HA ALA 38 0.877 17.199 2.700 102 1HB ALA 38 1HB ALA 38 -1.358 16.085 1.013 103 2HB ALA 38 2HB ALA 38 -1.272 16.062 2.775 104 3HB ALA 38 3HB ALA 38 -0.110 15.139 1.823 105 H SER 39 H SER 39 -0.115 18.535 -0.319 106 HA SER 39 HA SER 39 1.497 17.031 -2.069 107 1HB SER 39 1HB SER 39 0.533 19.882 -2.364 108 2HB SER 39 2HB SER 39 1.086 18.829 -3.665 109 HG SER 39 HG SER 39 -0.730 17.711 -3.572 110 H LYS 40 H LYS 40 2.200 19.610 0.099 111 HA LYS 40 HA LYS 40 4.747 20.234 -1.146 112 1HB LYS 40 1HB LYS 40 3.336 22.013 -0.164 113 2HB LYS 40 2HB LYS 40 3.485 21.252 1.409 114 1HG LYS 40 1HG LYS 40 5.953 22.086 -0.038 115 2HG LYS 40 2HG LYS 40 4.960 23.304 0.761 116 1HD LYS 40 1HD LYS 40 5.142 22.028 2.867 117 2HD LYS 40 2HD LYS 40 6.195 20.872 2.052 118 1HE LYS 40 1HE LYS 40 7.492 22.484 3.332 119 2HE LYS 40 2HE LYS 40 7.806 22.651 1.605 120 1HZ LYS 40 1HZ LYS 40 7.505 24.785 2.800 121 2HZ LYS 40 2HZ LYS 40 5.894 24.356 3.107 122 3HZ LYS 40 3HZ LYS 40 6.426 24.571 1.509 123 H VAL 41 H VAL 41 3.486 18.221 1.352 124 HA VAL 41 HA VAL 41 6.047 18.040 2.727 125 HB VAL 41 HB VAL 41 3.422 16.715 3.419 126 1HG1 VAL 41 1HG1 VAL 41 5.314 15.542 4.378 127 2HG1 VAL 41 2HG1 VAL 41 4.435 16.404 5.639 128 3HG1 VAL 41 3HG1 VAL 41 5.955 17.054 5.026 129 1HG2 VAL 41 1HG2 VAL 41 3.202 19.125 3.513 130 2HG2 VAL 41 2HG2 VAL 41 4.665 19.244 4.488 131 3HG2 VAL 41 3HG2 VAL 41 3.230 18.457 5.145 132 H LEU 42 H LEU 42 3.747 15.875 1.072 133 HA LEU 42 HA LEU 42 5.646 13.677 1.405 134 1HB LEU 42 1HB LEU 42 2.766 13.702 0.512 135 2HB LEU 42 2HB LEU 42 3.766 12.268 0.502 136 HG LEU 42 HG LEU 42 4.070 12.642 3.010 137 1HD1 LEU 42 1HD1 LEU 42 1.720 14.471 2.545 138 2HD1 LEU 42 2HD1 LEU 42 3.306 14.931 3.165 139 3HD1 LEU 42 3HD1 LEU 42 2.260 13.879 4.117 140 1HD2 LEU 42 1HD2 LEU 42 1.935 11.559 3.522 141 2HD2 LEU 42 2HD2 LEU 42 2.698 10.865 2.091 142 3HD2 LEU 42 3HD2 LEU 42 1.343 11.981 1.916 143 H THR 43 H THR 43 5.805 12.132 -0.421 144 HA THR 43 HA THR 43 5.698 13.416 -3.044 145 HB THR 43 HB THR 43 7.875 11.957 -3.455 146 HG1 THR 43 HG1 THR 43 8.107 12.664 -0.693 147 1HG2 THR 43 1HG2 THR 43 9.241 13.948 -2.982 148 2HG2 THR 43 2HG2 THR 43 7.893 14.644 -2.084 149 3HG2 THR 43 3HG2 THR 43 7.744 14.355 -3.818 150 HA PRO 44 HA PRO 44 3.647 9.664 -4.052 151 1HB PRO 44 1HB PRO 44 3.677 9.783 -6.735 152 2HB PRO 44 2HB PRO 44 2.751 10.927 -5.757 153 1HG PRO 44 1HG PRO 44 5.404 11.281 -7.085 154 2HG PRO 44 2HG PRO 44 4.045 12.415 -6.977 155 1HD PRO 44 1HD PRO 44 6.269 12.508 -5.363 156 2HD PRO 44 2HD PRO 44 4.683 13.159 -4.913 157 H GLY 45 H GLY 45 3.893 7.552 -4.836 158 1HA GLY 45 1HA GLY 45 5.016 5.815 -5.954 159 2HA GLY 45 2HA GLY 45 6.428 6.847 -6.097 160 H LEU 46 H LEU 46 4.921 6.616 -2.990 161 HA LEU 46 HA LEU 46 7.206 5.005 -2.070 162 1HB LEU 46 1HB LEU 46 5.444 6.803 -0.410 163 2HB LEU 46 2HB LEU 46 6.946 6.051 0.081 164 HG LEU 46 HG LEU 46 6.640 8.260 -1.952 165 1HD1 LEU 46 1HD1 LEU 46 7.843 9.608 -0.325 166 2HD1 LEU 46 2HD1 LEU 46 7.909 8.238 0.782 167 3HD1 LEU 46 3HD1 LEU 46 6.356 8.965 0.375 168 1HD2 LEU 46 1HD2 LEU 46 9.093 8.284 -2.009 169 2HD2 LEU 46 2HD2 LEU 46 8.440 6.758 -2.607 170 3HD2 LEU 46 3HD2 LEU 46 9.126 6.849 -0.983 171 H VAL 47 H VAL 47 6.780 3.597 -0.175 172 HA VAL 47 HA VAL 47 4.127 2.343 -0.370 173 HB VAL 47 HB VAL 47 6.704 1.139 0.670 174 1HG1 VAL 47 1HG1 VAL 47 5.470 -0.986 0.626 175 2HG1 VAL 47 2HG1 VAL 47 4.007 -0.118 0.167 176 3HG1 VAL 47 3HG1 VAL 47 4.746 0.171 1.741 177 1HG2 VAL 47 1HG2 VAL 47 6.646 -0.236 -1.365 178 2HG2 VAL 47 2HG2 VAL 47 6.818 1.482 -1.728 179 3HG2 VAL 47 3HG2 VAL 47 5.255 0.690 -1.935 180 H ILE 48 H ILE 48 2.862 2.178 1.413 181 HA ILE 48 HA ILE 48 3.801 3.551 3.831 182 HB ILE 48 HB ILE 48 1.009 2.677 3.081 183 1HG1 ILE 48 1HG1 ILE 48 2.281 5.427 3.020 184 2HG1 ILE 48 2HG1 ILE 48 1.892 4.449 1.608 185 1HG2 ILE 48 1HG2 ILE 48 1.969 4.436 5.334 186 2HG2 ILE 48 2HG2 ILE 48 1.357 2.790 5.495 187 3HG2 ILE 48 3HG2 ILE 48 0.287 4.080 4.949 188 1HD1 ILE 48 1HD1 ILE 48 -0.114 5.493 3.590 189 2HD1 ILE 48 2HD1 ILE 48 -0.461 4.613 2.101 190 3HD1 ILE 48 3HD1 ILE 48 0.254 6.222 2.028 191 H GLU 49 H GLU 49 4.390 2.466 5.553 192 HA GLU 49 HA GLU 49 3.990 -0.388 5.732 193 1HB GLU 49 1HB GLU 49 6.128 0.771 6.365 194 2HB GLU 49 2HB GLU 49 5.278 1.464 7.731 195 1HG GLU 49 1HG GLU 49 4.843 -0.771 8.609 196 2HG GLU 49 2HG GLU 49 5.695 -1.475 7.234 197 H SER 50 H SER 50 3.146 2.503 7.613 198 HA SER 50 HA SER 50 0.837 1.099 8.674 199 1HB SER 50 1HB SER 50 1.481 1.705 11.038 200 2HB SER 50 2HB SER 50 2.429 0.417 10.301 201 HG SER 50 HG SER 50 3.170 3.007 11.017 202 H ILE 51 H ILE 51 -0.713 2.374 9.634 203 HA ILE 51 HA ILE 51 -0.380 5.263 9.140 204 HB ILE 51 HB ILE 51 -2.922 3.625 9.169 205 1HG1 ILE 51 1HG1 ILE 51 -1.585 3.393 7.110 206 2HG1 ILE 51 2HG1 ILE 51 -3.095 4.241 6.805 207 1HG2 ILE 51 1HG2 ILE 51 -3.325 5.811 10.159 208 2HG2 ILE 51 2HG2 ILE 51 -4.072 5.716 8.564 209 3HG2 ILE 51 3HG2 ILE 51 -2.561 6.599 8.775 210 1HD1 ILE 51 1HD1 ILE 51 -1.243 5.255 5.606 211 2HD1 ILE 51 2HD1 ILE 51 -0.396 5.520 7.130 212 3HD1 ILE 51 3HD1 ILE 51 -1.911 6.364 6.805 213 H ASN 52 H ASN 52 0.391 5.929 11.056 214 HA ASN 52 HA ASN 52 0.317 6.767 13.161 215 1HB ASN 52 1HB ASN 52 -1.997 7.439 12.066 216 2HB ASN 52 2HB ASN 52 -2.631 6.380 13.317 217 1HD2 ASN 52 1HD2 ASN 52 -2.745 9.323 12.884 218 2HD2 ASN 52 2HD2 ASN 52 -2.202 10.020 14.368 219 H GLY 53 H GLY 53 0.856 4.029 13.022 220 1HA GLY 53 1HA GLY 53 1.405 2.756 14.989 221 2HA GLY 53 2HA GLY 53 -0.128 3.253 15.690 222 H MET 54 H MET 54 -1.599 2.707 13.202 223 HA MET 54 HA MET 54 -1.762 -0.199 13.499 224 1HB MET 54 1HB MET 54 -3.695 1.790 12.296 225 2HB MET 54 2HB MET 54 -3.948 0.050 12.298 226 1HG MET 54 1HG MET 54 -3.940 0.050 14.743 227 2HG MET 54 2HG MET 54 -3.680 1.794 14.741 228 1HE MET 54 1HE MET 54 -5.499 2.754 12.353 229 2HE MET 54 2HE MET 54 -5.473 3.559 13.923 230 3HE MET 54 3HE MET 54 -7.013 3.118 13.182 231 HA PRO 55 HA PRO 55 0.560 -0.256 9.712 232 1HB PRO 55 1HB PRO 55 0.818 -2.928 9.525 233 2HB PRO 55 2HB PRO 55 1.789 -1.948 10.626 234 1HG PRO 55 1HG PRO 55 -0.647 -3.599 11.201 235 2HG PRO 55 2HG PRO 55 0.842 -3.435 12.150 236 1HD PRO 55 1HD PRO 55 -1.446 -2.102 12.761 237 2HD PRO 55 2HD PRO 55 0.170 -1.447 13.095 238 H THR 56 H THR 56 0.035 -0.409 7.603 239 HA THR 56 HA THR 56 -2.558 -1.654 6.985 240 HB THR 56 HB THR 56 -2.643 -0.050 5.055 241 HG1 THR 56 HG1 THR 56 -0.370 0.493 5.120 242 1HG2 THR 56 1HG2 THR 56 -3.354 1.861 6.445 243 2HG2 THR 56 2HG2 THR 56 -2.573 1.117 7.841 244 3HG2 THR 56 3HG2 THR 56 -3.951 0.326 7.076 245 H SER 57 H SER 57 -1.535 -3.651 6.593 246 HA SER 57 HA SER 57 0.306 -3.807 4.348 247 1HB SER 57 1HB SER 57 0.783 -5.162 6.334 248 2HB SER 57 2HB SER 57 -0.784 -5.954 6.193 249 HG SER 57 HG SER 57 0.262 -6.332 3.887 250 H ASN 58 H ASN 58 -3.011 -3.896 4.914 251 HA ASN 58 HA ASN 58 -3.468 -5.203 2.304 252 1HB ASN 58 1HB ASN 58 -5.189 -5.492 4.797 253 2HB ASN 58 2HB ASN 58 -5.599 -6.123 3.208 254 1HD2 ASN 58 1HD2 ASN 58 -5.227 -7.474 5.779 255 2HD2 ASN 58 2HD2 ASN 58 -4.016 -8.676 5.507 256 H LEU 59 H LEU 59 -5.955 -4.631 1.695 257 HA LEU 59 HA LEU 59 -6.168 -1.792 1.681 258 1HB LEU 59 1HB LEU 59 -7.828 -4.057 0.657 259 2HB LEU 59 2HB LEU 59 -8.463 -2.434 0.671 260 HG LEU 59 HG LEU 59 -6.044 -3.405 -0.833 261 1HD1 LEU 59 1HD1 LEU 59 -7.366 -2.769 -2.805 262 2HD1 LEU 59 2HD1 LEU 59 -8.722 -2.362 -1.753 263 3HD1 LEU 59 3HD1 LEU 59 -8.154 -4.028 -1.856 264 1HD2 LEU 59 1HD2 LEU 59 -5.641 -1.161 0.017 265 2HD2 LEU 59 2HD2 LEU 59 -7.184 -0.620 -0.644 266 3HD2 LEU 59 3HD2 LEU 59 -5.889 -1.133 -1.730 267 H THR 60 H THR 60 -7.946 -4.434 3.234 268 HA THR 60 HA THR 60 -9.971 -2.891 4.397 269 HB THR 60 HB THR 60 -8.845 -5.441 5.566 270 HG1 THR 60 HG1 THR 60 -10.382 -4.966 3.221 271 1HG2 THR 60 1HG2 THR 60 -11.642 -4.297 5.462 272 2HG2 THR 60 2HG2 THR 60 -10.597 -4.352 6.881 273 3HG2 THR 60 3HG2 THR 60 -11.193 -5.851 6.165 274 H THR 61 H THR 61 -6.735 -3.748 5.590 275 HA THR 61 HA THR 61 -7.032 -2.668 8.177 276 HB THR 61 HB THR 61 -4.498 -2.428 8.080 277 HG1 THR 61 HG1 THR 61 -4.406 -2.233 5.752 278 1HG2 THR 61 1HG2 THR 61 -5.558 -4.419 8.998 279 2HG2 THR 61 2HG2 THR 61 -4.113 -4.859 8.085 280 3HG2 THR 61 3HG2 THR 61 -5.712 -5.103 7.380 281 H TYR 62 H TYR 62 -6.159 -1.259 5.086 282 HA TYR 62 HA TYR 62 -5.420 1.300 6.095 283 1HB TYR 62 1HB TYR 62 -4.709 0.385 3.883 284 2HB TYR 62 2HB TYR 62 -6.370 0.534 3.324 285 HD1 TYR 62 HD1 TYR 62 -3.450 2.479 4.512 286 HD2 TYR 62 HD2 TYR 62 -7.169 2.574 2.446 287 HE1 TYR 62 HE1 TYR 62 -2.958 4.761 3.743 288 HE2 TYR 62 HE2 TYR 62 -6.686 4.855 1.674 289 HH TYR 62 HH TYR 62 -5.267 6.793 2.443 290 H SER 63 H SER 63 -8.355 -0.139 4.801 291 HA SER 63 HA SER 63 -10.010 2.091 4.808 292 1HB SER 63 1HB SER 63 -10.522 -0.839 5.119 293 2HB SER 63 2HB SER 63 -11.807 0.329 4.938 294 HG SER 63 HG SER 63 -10.617 0.977 2.950 295 H ALA 64 H ALA 64 -9.505 -0.389 7.296 296 HA ALA 64 HA ALA 64 -11.318 0.637 9.179 297 1HB ALA 64 1HB ALA 64 -10.404 -1.629 9.313 298 2HB ALA 64 2HB ALA 64 -10.139 -0.742 10.815 299 3HB ALA 64 3HB ALA 64 -8.810 -0.966 9.677 300 H ALA 65 H ALA 65 -7.979 1.414 8.498 301 HA ALA 65 HA ALA 65 -7.595 3.042 10.823 302 1HB ALA 65 1HB ALA 65 -5.516 3.743 9.751 303 2HB ALA 65 2HB ALA 65 -6.027 2.987 8.243 304 3HB ALA 65 3HB ALA 65 -5.706 1.991 9.662 305 H LEU 66 H LEU 66 -8.387 3.638 7.434 306 HA LEU 66 HA LEU 66 -8.230 6.437 7.496 307 1HB LEU 66 1HB LEU 66 -8.928 4.423 5.638 308 2HB LEU 66 2HB LEU 66 -10.247 5.576 5.662 309 HG LEU 66 HG LEU 66 -7.347 6.154 5.046 310 1HD1 LEU 66 1HD1 LEU 66 -8.613 5.079 3.247 311 2HD1 LEU 66 2HD1 LEU 66 -8.185 6.742 2.846 312 3HD1 LEU 66 3HD1 LEU 66 -9.830 6.353 3.348 313 1HD2 LEU 66 1HD2 LEU 66 -8.284 8.016 6.310 314 2HD2 LEU 66 2HD2 LEU 66 -9.677 8.069 5.228 315 3HD2 LEU 66 3HD2 LEU 66 -8.070 8.465 4.618 316 H LYS 67 H LYS 67 -10.839 4.229 8.297 317 HA LYS 67 HA LYS 67 -13.002 5.970 8.214 318 1HB LYS 67 1HB LYS 67 -13.222 3.545 8.489 319 2HB LYS 67 2HB LYS 67 -12.554 3.661 10.111 320 1HG LYS 67 1HG LYS 67 -14.457 4.975 10.830 321 2HG LYS 67 2HG LYS 67 -15.119 4.944 9.195 322 1HD LYS 67 1HD LYS 67 -15.377 2.537 9.317 323 2HD LYS 67 2HD LYS 67 -14.622 2.514 10.912 324 1HE LYS 67 1HE LYS 67 -16.439 3.847 11.815 325 2HE LYS 67 2HE LYS 67 -17.183 3.940 10.219 326 1HZ LYS 67 1HZ LYS 67 -16.697 1.398 11.674 327 2HZ LYS 67 2HZ LYS 67 -17.593 1.607 10.242 328 3HZ LYS 67 3HZ LYS 67 -18.168 2.241 11.706 329 H THR 68 H THR 68 -10.573 5.577 10.722 330 HA THR 68 HA THR 68 -12.040 7.112 12.660 331 HB THR 68 HB THR 68 -9.997 6.974 14.034 332 HG1 THR 68 HG1 THR 68 -8.925 5.896 11.641 333 1HG2 THR 68 1HG2 THR 68 -11.631 5.162 14.111 334 2HG2 THR 68 2HG2 THR 68 -9.992 4.545 14.331 335 3HG2 THR 68 3HG2 THR 68 -10.805 4.353 12.776 336 H ILE 69 H ILE 69 -10.148 7.917 9.981 337 HA ILE 69 HA ILE 69 -8.920 10.279 11.102 338 HB ILE 69 HB ILE 69 -9.104 9.475 8.195 339 1HG1 ILE 69 1HG1 ILE 69 -8.040 7.670 9.363 340 2HG1 ILE 69 2HG1 ILE 69 -6.777 8.595 8.563 341 1HG2 ILE 69 1HG2 ILE 69 -7.114 10.896 7.944 342 2HG2 ILE 69 2HG2 ILE 69 -7.243 11.353 9.643 343 3HG2 ILE 69 3HG2 ILE 69 -8.518 11.802 8.510 344 1HD1 ILE 69 1HD1 ILE 69 -7.501 8.732 11.473 345 2HD1 ILE 69 2HD1 ILE 69 -6.257 9.701 10.685 346 3HD1 ILE 69 3HD1 ILE 69 -6.085 7.947 10.780 347 H SER 70 H SER 70 -9.743 12.253 11.156 348 HA SER 70 HA SER 70 -12.212 12.799 9.653 349 1HB SER 70 1HB SER 70 -11.430 13.819 12.396 350 2HB SER 70 2HB SER 70 -12.954 14.122 11.566 351 HG SER 70 HG SER 70 -12.699 11.523 11.582 352 H VAL 71 H VAL 71 -12.539 15.451 10.041 353 HA VAL 71 HA VAL 71 -10.471 16.662 8.461 354 HB VAL 71 HB VAL 71 -12.728 18.045 9.932 355 1HG1 VAL 71 1HG1 VAL 71 -12.439 19.804 8.265 356 2HG1 VAL 71 2HG1 VAL 71 -11.104 18.908 7.543 357 3HG1 VAL 71 3HG1 VAL 71 -10.953 19.545 9.180 358 1HG2 VAL 71 1HG2 VAL 71 -13.610 16.313 8.462 359 2HG2 VAL 71 2HG2 VAL 71 -12.687 16.979 7.116 360 3HG2 VAL 71 3HG2 VAL 71 -13.984 17.922 7.845 361 H GLY 72 H GLY 72 -8.865 18.052 9.090 362 1HA GLY 72 1HA GLY 72 -7.450 19.215 10.484 363 2HA GLY 72 2HA GLY 72 -8.764 19.291 11.650 364 H GLU 73 H GLU 73 -7.487 16.351 10.307 365 HA GLU 73 HA GLU 73 -6.640 15.539 12.992 366 1HB GLU 73 1HB GLU 73 -8.423 14.205 11.801 367 2HB GLU 73 2HB GLU 73 -7.199 13.788 10.614 368 1HG GLU 73 1HG GLU 73 -7.601 12.054 12.345 369 2HG GLU 73 2HG GLU 73 -5.925 12.589 12.214 370 H VAL 74 H VAL 74 -4.640 14.510 13.250 371 HA VAL 74 HA VAL 74 -2.755 15.113 11.066 372 HB VAL 74 HB VAL 74 -2.105 14.869 14.023 373 1HG1 VAL 74 1HG1 VAL 74 0.075 15.769 13.387 374 2HG1 VAL 74 2HG1 VAL 74 -0.421 15.794 11.694 375 3HG1 VAL 74 3HG1 VAL 74 -0.254 14.256 12.541 376 1HG2 VAL 74 1HG2 VAL 74 -1.785 17.305 13.965 377 2HG2 VAL 74 2HG2 VAL 74 -3.450 16.857 13.600 378 3HG2 VAL 74 3HG2 VAL 74 -2.361 17.336 12.300 379 H ILE 75 H ILE 75 -2.363 13.312 9.982 380 HA ILE 75 HA ILE 75 -2.424 10.749 11.381 381 HB ILE 75 HB ILE 75 -2.406 9.741 9.119 382 1HG1 ILE 75 1HG1 ILE 75 -2.625 12.610 8.166 383 2HG1 ILE 75 2HG1 ILE 75 -1.227 11.563 7.935 384 1HG2 ILE 75 1HG2 ILE 75 -4.693 10.393 8.530 385 2HG2 ILE 75 2HG2 ILE 75 -4.566 11.789 9.602 386 3HG2 ILE 75 3HG2 ILE 75 -4.502 10.156 10.267 387 1HD1 ILE 75 1HD1 ILE 75 -3.980 11.147 6.784 388 2HD1 ILE 75 2HD1 ILE 75 -2.606 10.062 6.568 389 3HD1 ILE 75 3HD1 ILE 75 -2.550 11.698 5.912 390 H ASN 76 H ASN 76 -0.784 9.181 10.997 391 HA ASN 76 HA ASN 76 1.844 10.388 10.456 392 1HB ASN 76 1HB ASN 76 1.386 9.983 12.883 393 2HB ASN 76 2HB ASN 76 1.234 8.267 12.524 394 1HD2 ASN 76 1HD2 ASN 76 2.926 7.633 13.749 395 2HD2 ASN 76 2HD2 ASN 76 4.573 8.025 13.379 396 H ILE 77 H ILE 77 2.565 9.549 8.642 397 HA ILE 77 HA ILE 77 1.842 6.772 7.951 398 HB ILE 77 HB ILE 77 2.735 9.002 6.100 399 1HG1 ILE 77 1HG1 ILE 77 -0.032 7.848 6.523 400 2HG1 ILE 77 2HG1 ILE 77 0.504 9.415 7.116 401 1HG2 ILE 77 1HG2 ILE 77 1.960 7.476 4.321 402 2HG2 ILE 77 2HG2 ILE 77 1.671 6.236 5.540 403 3HG2 ILE 77 3HG2 ILE 77 3.309 6.817 5.244 404 1HD1 ILE 77 1HD1 ILE 77 -0.831 9.610 5.084 405 2HD1 ILE 77 2HD1 ILE 77 0.338 8.610 4.223 406 3HD1 ILE 77 3HD1 ILE 77 0.817 10.194 4.839 407 H THR 78 H THR 78 3.398 5.427 8.459 408 HA THR 78 HA THR 78 6.193 6.227 8.299 409 HB THR 78 HB THR 78 5.024 3.541 9.064 410 HG1 THR 78 HG1 THR 78 5.264 5.942 10.451 411 1HG2 THR 78 1HG2 THR 78 7.169 3.215 10.203 412 2HG2 THR 78 2HG2 THR 78 7.722 4.785 9.620 413 3HG2 THR 78 3HG2 THR 78 7.398 3.481 8.476 414 H THR 79 H THR 79 7.201 6.069 6.386 415 HA THR 79 HA THR 79 6.305 3.962 4.525 416 HB THR 79 HB THR 79 6.872 5.432 2.665 417 HG1 THR 79 HG1 THR 79 7.631 7.221 4.749 418 1HG2 THR 79 1HG2 THR 79 4.588 5.547 3.580 419 2HG2 THR 79 2HG2 THR 79 5.108 7.089 2.900 420 3HG2 THR 79 3HG2 THR 79 5.094 6.856 4.647 421 H ASP 80 H ASP 80 8.062 3.776 2.710 422 HA ASP 80 HA ASP 80 10.469 2.796 3.771 423 1HB ASP 80 1HB ASP 80 9.800 1.921 1.691 424 2HB ASP 80 2HB ASP 80 9.551 3.517 0.998 425 H GLN 81 H GLN 81 9.516 5.987 2.775 426 HA GLN 81 HA GLN 81 12.276 6.921 2.797 427 1HB GLN 81 1HB GLN 81 9.675 8.213 2.026 428 2HB GLN 81 2HB GLN 81 11.145 9.156 2.233 429 1HG GLN 81 1HG GLN 81 10.788 6.865 0.312 430 2HG GLN 81 2HG GLN 81 10.742 8.580 -0.102 431 1HE2 GLN 81 1HE2 GLN 81 12.751 5.897 0.794 432 2HE2 GLN 81 2HE2 GLN 81 14.273 6.662 0.458 433 H GLY 82 H GLY 82 10.276 6.170 5.109 434 1HA GLY 82 1HA GLY 82 11.102 6.736 7.345 435 2HA GLY 82 2HA GLY 82 11.189 8.405 6.804 436 H THR 83 H THR 83 9.945 8.363 8.966 437 HA THR 83 HA THR 83 7.101 7.817 8.592 438 HB THR 83 HB THR 83 8.493 8.706 11.122 439 HG1 THR 83 HG1 THR 83 8.390 6.368 11.588 440 1HG2 THR 83 1HG2 THR 83 5.895 7.242 10.634 441 2HG2 THR 83 2HG2 THR 83 6.053 8.929 11.128 442 3HG2 THR 83 3HG2 THR 83 6.568 7.639 12.214 443 H PHE 84 H PHE 84 5.918 9.467 7.799 444 HA PHE 84 HA PHE 84 6.673 12.214 8.578 445 1HB PHE 84 1HB PHE 84 4.955 11.431 6.229 446 2HB PHE 84 2HB PHE 84 5.620 13.015 6.582 447 HD1 PHE 84 HD1 PHE 84 8.075 13.400 6.359 448 HD2 PHE 84 HD2 PHE 84 6.199 9.814 5.032 449 HE1 PHE 84 HE1 PHE 84 10.027 12.904 4.946 450 HE2 PHE 84 HE2 PHE 84 8.150 9.316 3.616 451 HZ PHE 84 HZ PHE 84 10.065 10.863 3.571 452 H HIS 85 H HIS 85 5.061 13.610 9.290 453 HA HIS 85 HA HIS 85 2.425 12.403 9.719 454 1HB HIS 85 1HB HIS 85 2.237 13.828 11.778 455 2HB HIS 85 2HB HIS 85 3.378 12.505 11.894 456 HD1 HIS 85 HD1 HIS 85 5.897 13.132 12.061 457 HD2 HIS 85 HD2 HIS 85 3.296 16.375 12.047 458 HE1 HIS 85 HE1 HIS 85 7.261 15.100 12.837 459 HE2 HIS 85 HE2 HIS 85 5.598 16.980 13.064 460 H LEU 86 H LEU 86 0.796 13.466 8.880 461 HA LEU 86 HA LEU 86 1.167 16.261 8.102 462 1HB LEU 86 1HB LEU 86 -0.076 15.716 6.015 463 2HB LEU 86 2HB LEU 86 1.534 15.049 6.102 464 HG LEU 86 HG LEU 86 -0.825 13.362 6.868 465 1HD1 LEU 86 1HD1 LEU 86 0.166 13.823 4.056 466 2HD1 LEU 86 2HD1 LEU 86 -1.405 14.305 4.698 467 3HD1 LEU 86 3HD1 LEU 86 -1.000 12.594 4.551 468 1HD2 LEU 86 1HD2 LEU 86 1.844 12.729 5.604 469 2HD2 LEU 86 2HD2 LEU 86 0.622 11.557 6.103 470 3HD2 LEU 86 3HD2 LEU 86 1.445 12.541 7.313 471 H LYS 87 H LYS 87 -0.818 17.424 7.774 472 HA LYS 87 HA LYS 87 -2.964 16.437 9.476 473 1HB LYS 87 1HB LYS 87 -3.619 18.716 9.703 474 2HB LYS 87 2HB LYS 87 -1.881 18.667 9.916 475 1HG LYS 87 1HG LYS 87 -1.750 19.262 7.446 476 2HG LYS 87 2HG LYS 87 -3.459 19.653 7.568 477 1HD LYS 87 1HD LYS 87 -1.291 20.877 9.273 478 2HD LYS 87 2HD LYS 87 -2.007 21.627 7.844 479 1HE LYS 87 1HE LYS 87 -4.194 21.609 8.913 480 2HE LYS 87 2HE LYS 87 -3.510 20.813 10.332 481 1HZ LYS 87 1HZ LYS 87 -2.097 22.764 10.669 482 2HZ LYS 87 2HZ LYS 87 -3.743 23.171 10.709 483 3HZ LYS 87 3HZ LYS 87 -2.814 23.525 9.334 484 H THR 88 H THR 88 -5.063 16.353 8.768 485 HA THR 88 HA THR 88 -5.471 16.173 5.907 486 HB THR 88 HB THR 88 -7.816 15.556 6.542 487 HG1 THR 88 HG1 THR 88 -8.034 15.010 8.841 488 1HG2 THR 88 1HG2 THR 88 -7.212 13.346 7.404 489 2HG2 THR 88 2HG2 THR 88 -5.610 13.945 7.838 490 3HG2 THR 88 3HG2 THR 88 -6.092 13.858 6.142 491 H GLY 89 H GLY 89 -6.321 17.682 4.650 492 1HA GLY 89 1HA GLY 89 -6.991 20.244 5.816 493 2HA GLY 89 2HA GLY 89 -6.788 19.893 4.104 494 H ARG 90 H ARG 90 -8.742 21.295 4.074 495 HA ARG 90 HA ARG 90 -11.191 19.989 4.934 496 1HB ARG 90 1HB ARG 90 -10.610 22.727 3.815 497 2HB ARG 90 2HB ARG 90 -12.252 22.120 3.956 498 1HG ARG 90 1HG ARG 90 -11.868 23.453 5.855 499 2HG ARG 90 2HG ARG 90 -11.799 21.782 6.409 500 1HD ARG 90 1HD ARG 90 -9.375 21.856 6.403 501 2HD ARG 90 2HD ARG 90 -9.404 23.494 5.753 502 HE ARG 90 HE ARG 90 -10.873 23.357 8.175 503 1HH1 ARG 90 1HH1 ARG 90 -7.596 23.405 6.931 504 2HH1 ARG 90 2HH1 ARG 90 -6.927 24.112 8.368 505 1HH2 ARG 90 1HH2 ARG 90 -9.994 24.292 10.076 506 2HH2 ARG 90 2HH2 ARG 90 -8.287 24.628 10.156 507 H ASN 91 H ASN 91 -13.044 20.616 3.163 508 HA ASN 91 HA ASN 91 -12.240 19.032 0.825 509 1HB ASN 91 1HB ASN 91 -14.680 18.462 0.665 510 2HB ASN 91 2HB ASN 91 -13.885 17.868 2.118 511 1HD2 ASN 91 1HD2 ASN 91 -16.735 18.532 1.460 512 2HD2 ASN 91 2HD2 ASN 91 -17.244 19.591 2.731 513 HA PRO 92 HA PRO 92 -13.236 22.836 -1.479 514 1HB PRO 92 1HB PRO 92 -11.941 21.299 -3.634 515 2HB PRO 92 2HB PRO 92 -11.565 22.915 -3.031 516 1HG PRO 92 1HG PRO 92 -9.946 20.825 -2.562 517 2HG PRO 92 2HG PRO 92 -10.171 22.121 -1.372 518 1HD PRO 92 1HD PRO 92 -11.381 19.382 -1.441 519 2HD PRO 92 2HD PRO 92 -10.743 20.297 -0.058 520 H ASN 93 H ASN 93 -13.488 19.445 -2.521 521 HA ASN 93 HA ASN 93 -15.922 20.157 -4.007 522 1HB ASN 93 1HB ASN 93 -14.080 19.210 -5.375 523 2HB ASN 93 2HB ASN 93 -14.153 17.738 -4.417 524 1HD2 ASN 93 1HD2 ASN 93 -15.893 19.761 -6.681 525 2HD2 ASN 93 2HD2 ASN 93 -16.961 18.528 -7.253 526 H ASN 94 H ASN 94 -15.100 16.845 -3.138 527 HA ASN 94 HA ASN 94 -17.244 16.892 -1.135 528 1HB ASN 94 1HB ASN 94 -17.127 15.162 -3.581 529 2HB ASN 94 2HB ASN 94 -17.933 14.587 -2.128 530 1HD2 ASN 94 1HD2 ASN 94 -19.807 15.604 -1.426 531 2HD2 ASN 94 2HD2 ASN 94 -20.722 16.652 -2.459 532 H SER 95 H SER 95 -16.283 16.372 0.630 533 HA SER 95 HA SER 95 -15.650 13.732 1.228 534 1HB SER 95 1HB SER 95 -13.484 14.574 -0.020 535 2HB SER 95 2HB SER 95 -13.164 15.412 1.497 536 HG SER 95 HG SER 95 -12.631 13.573 2.382 537 H SER 96 H SER 96 -17.064 14.145 2.879 538 HA SER 96 HA SER 96 -17.251 16.547 4.279 539 1HB SER 96 1HB SER 96 -18.185 13.793 5.106 540 2HB SER 96 2HB SER 96 -18.746 15.317 5.796 541 HG SER 96 HG SER 96 -19.844 14.132 3.815 542 H ARG 97 H ARG 97 -15.504 13.581 5.072 543 HA ARG 97 HA ARG 97 -14.131 15.124 7.146 544 1HB ARG 97 1HB ARG 97 -14.006 13.041 8.525 545 2HB ARG 97 2HB ARG 97 -15.620 13.714 8.363 546 1HG ARG 97 1HG ARG 97 -16.111 11.528 8.021 547 2HG ARG 97 2HG ARG 97 -15.715 11.968 6.358 548 1HD ARG 97 1HD ARG 97 -13.379 11.225 6.803 549 2HD ARG 97 2HD ARG 97 -13.916 10.637 8.373 550 HE ARG 97 HE ARG 97 -15.537 9.518 6.358 551 1HH1 ARG 97 1HH1 ARG 97 -12.299 9.405 7.629 552 2HH1 ARG 97 2HH1 ARG 97 -11.995 7.778 7.110 553 1HH2 ARG 97 1HH2 ARG 97 -15.169 7.358 5.648 554 2HH2 ARG 97 2HH2 ARG 97 -13.631 6.607 5.968 555 H ALA 98 H ALA 98 -12.076 15.302 6.752 556 HA ALA 98 HA ALA 98 -9.929 14.901 6.144 557 1HB ALA 98 1HB ALA 98 -9.083 12.649 6.101 558 2HB ALA 98 2HB ALA 98 -10.715 11.998 5.954 559 3HB ALA 98 3HB ALA 98 -10.222 12.815 7.439 560 H TYR 99 H TYR 99 -9.319 15.700 4.219 561 HA TYR 99 HA TYR 99 -10.542 14.643 1.800 562 1HB TYR 99 1HB TYR 99 -9.905 17.148 2.374 563 2HB TYR 99 2HB TYR 99 -8.349 16.669 1.701 564 HD1 TYR 99 HD1 TYR 99 -8.036 16.627 -0.645 565 HD2 TYR 99 HD2 TYR 99 -11.978 16.769 0.950 566 HE1 TYR 99 HE1 TYR 99 -8.938 16.984 -2.906 567 HE2 TYR 99 HE2 TYR 99 -12.883 17.125 -1.301 568 HH TYR 99 HH TYR 99 -11.146 16.590 -4.093 569 H MET 100 H MET 100 -7.223 15.145 2.965 570 HA MET 100 HA MET 100 -5.263 14.069 2.598 571 1HB MET 100 1HB MET 100 -6.580 12.186 3.590 572 2HB MET 100 2HB MET 100 -6.986 11.669 1.960 573 1HG MET 100 1HG MET 100 -4.669 11.236 1.469 574 2HG MET 100 2HG MET 100 -4.184 11.879 3.036 575 1HE MET 100 1HE MET 100 -2.838 9.751 3.817 576 2HE MET 100 2HE MET 100 -3.084 9.155 2.176 577 3HE MET 100 3HE MET 100 -3.413 8.104 3.553 578 H GLY 101 H GLY 101 -4.407 15.079 0.858 579 1HA GLY 101 1HA GLY 101 -5.536 14.672 -1.771 580 2HA GLY 101 2HA GLY 101 -4.269 15.804 -1.342 581 H ILE 102 H ILE 102 -4.204 12.315 -0.720 582 HA ILE 102 HA ILE 102 -2.481 11.965 -3.056 583 HB ILE 102 HB ILE 102 -0.840 10.628 -1.915 584 1HG1 ILE 102 1HG1 ILE 102 -1.053 10.949 0.792 585 2HG1 ILE 102 2HG1 ILE 102 -2.747 10.781 0.346 586 1HG2 ILE 102 1HG2 ILE 102 -1.250 13.230 -0.452 587 2HG2 ILE 102 2HG2 ILE 102 -0.406 13.006 -1.985 588 3HG2 ILE 102 3HG2 ILE 102 0.252 12.304 -0.506 589 1HD1 ILE 102 1HD1 ILE 102 -2.224 8.657 -0.763 590 2HD1 ILE 102 2HD1 ILE 102 -1.815 8.646 0.952 591 3HD1 ILE 102 3HD1 ILE 102 -0.541 8.823 -0.256 592 H ARG 103 H ARG 103 -2.697 9.977 -4.039 593 HA ARG 103 HA ARG 103 -5.013 8.462 -3.057 594 1HB ARG 103 1HB ARG 103 -4.541 9.505 -5.531 595 2HB ARG 103 2HB ARG 103 -3.972 7.855 -5.741 596 1HG ARG 103 1HG ARG 103 -6.250 7.918 -6.403 597 2HG ARG 103 2HG ARG 103 -6.171 7.061 -4.864 598 1HD ARG 103 1HD ARG 103 -6.866 9.985 -5.144 599 2HD ARG 103 2HD ARG 103 -8.060 8.696 -5.061 600 HE ARG 103 HE ARG 103 -6.628 8.282 -2.818 601 1HH1 ARG 103 1HH1 ARG 103 -8.162 11.139 -4.153 602 2HH1 ARG 103 2HH1 ARG 103 -8.410 11.879 -2.600 603 1HH2 ARG 103 1HH2 ARG 103 -6.949 9.264 -0.786 604 2HH2 ARG 103 2HH2 ARG 103 -7.702 10.821 -0.687 605 H THR 104 H THR 104 -4.936 6.276 -2.743 606 HA THR 104 HA THR 104 -2.279 5.024 -2.935 607 HB THR 104 HB THR 104 -3.144 3.735 -0.818 608 HG1 THR 104 HG1 THR 104 -4.256 5.645 0.432 609 1HG2 THR 104 1HG2 THR 104 -1.135 5.147 -0.903 610 2HG2 THR 104 2HG2 THR 104 -2.004 5.339 0.619 611 3HG2 THR 104 3HG2 THR 104 -2.136 6.575 -0.634 612 H SER 105 H SER 105 -2.225 2.811 -3.308 613 HA SER 105 HA SER 105 -4.691 1.285 -3.496 614 1HB SER 105 1HB SER 105 -2.818 1.502 -5.873 615 2HB SER 105 2HB SER 105 -4.285 0.531 -5.782 616 HG SER 105 HG SER 105 -4.827 3.087 -5.142 617 H ASN 106 H ASN 106 -4.224 -1.031 -3.589 618 HA ASN 106 HA ASN 106 -2.028 -1.635 -1.895 619 1HB ASN 106 1HB ASN 106 -2.729 -4.000 -2.117 620 2HB ASN 106 2HB ASN 106 -4.048 -2.933 -1.667 621 1HD2 ASN 106 1HD2 ASN 106 -5.522 -4.500 -2.367 622 2HD2 ASN 106 2HD2 ASN 106 -5.850 -4.772 -4.047 623 H HIS 107 H HIS 107 -2.501 -1.764 -5.316 624 HA HIS 107 HA HIS 107 -1.225 -2.435 -7.073 625 1HB HIS 107 1HB HIS 107 0.176 -0.608 -5.959 626 2HB HIS 107 2HB HIS 107 1.146 -1.905 -5.275 627 HD1 HIS 107 HD1 HIS 107 0.084 -0.582 -8.677 628 HD2 HIS 107 HD2 HIS 107 3.146 -2.777 -6.901 629 HE1 HIS 107 HE1 HIS 107 1.812 -0.924 -10.474 630 HE2 HIS 107 HE2 HIS 107 3.747 -2.051 -9.315 631 H LEU 108 H LEU 108 -2.194 -4.512 -5.542 632 HA LEU 108 HA LEU 108 -0.172 -6.316 -4.682 633 1HB LEU 108 1HB LEU 108 -3.109 -6.658 -5.214 634 2HB LEU 108 2HB LEU 108 -2.092 -7.990 -4.698 635 HG LEU 108 HG LEU 108 -2.617 -5.459 -3.161 636 1HD1 LEU 108 1HD1 LEU 108 -3.450 -8.305 -2.633 637 2HD1 LEU 108 2HD1 LEU 108 -4.508 -7.018 -3.212 638 3HD1 LEU 108 3HD1 LEU 108 -3.791 -6.914 -1.602 639 1HD2 LEU 108 1HD2 LEU 108 -0.343 -6.252 -2.795 640 2HD2 LEU 108 2HD2 LEU 108 -0.960 -7.861 -2.424 641 3HD2 LEU 108 3HD2 LEU 108 -1.339 -6.507 -1.361 642 H ARG 109 H ARG 109 -0.696 -8.714 -5.532 643 HA ARG 109 HA ARG 109 0.532 -8.736 -8.153 644 1HB ARG 109 1HB ARG 109 -0.350 -11.228 -6.739 645 2HB ARG 109 2HB ARG 109 1.081 -10.954 -7.723 646 1HG ARG 109 1HG ARG 109 0.651 -9.864 -4.950 647 2HG ARG 109 2HG ARG 109 1.600 -11.298 -5.347 648 1HD ARG 109 1HD ARG 109 3.140 -9.949 -6.649 649 2HD ARG 109 2HD ARG 109 2.158 -8.512 -6.364 650 HE ARG 109 HE ARG 109 2.704 -8.898 -3.926 651 1HH1 ARG 109 1HH1 ARG 109 4.839 -9.897 -6.532 652 2HH1 ARG 109 2HH1 ARG 109 6.277 -9.791 -5.557 653 1HH2 ARG 109 1HH2 ARG 109 4.580 -8.762 -2.647 654 2HH2 ARG 109 2HH2 ARG 109 6.130 -9.140 -3.343 655 H VAL 110 H VAL 110 -1.041 -8.090 -9.587 656 HA VAL 110 HA VAL 110 -3.686 -9.188 -9.514 657 HB VAL 110 HB VAL 110 -2.368 -7.628 -11.704 658 1HG1 VAL 110 1HG1 VAL 110 -4.650 -7.048 -12.382 659 2HG1 VAL 110 2HG1 VAL 110 -5.285 -8.082 -11.103 660 3HG1 VAL 110 3HG1 VAL 110 -4.378 -8.791 -12.440 661 1HG2 VAL 110 1HG2 VAL 110 -2.299 -6.382 -9.610 662 2HG2 VAL 110 2HG2 VAL 110 -4.032 -6.635 -9.395 663 3HG2 VAL 110 3HG2 VAL 110 -3.446 -5.650 -10.734 664 H ARG 111 H ARG 111 -4.146 -11.102 -10.153 665 HA ARG 111 HA ARG 111 -3.428 -12.101 -12.737 666 1HB ARG 111 1HB ARG 111 -1.454 -12.759 -11.335 667 2HB ARG 111 2HB ARG 111 -2.538 -13.701 -10.323 668 1HG ARG 111 1HG ARG 111 -1.397 -15.137 -11.894 669 2HG ARG 111 2HG ARG 111 -3.120 -15.084 -12.272 670 1HD ARG 111 1HD ARG 111 -2.725 -13.527 -14.066 671 2HD ARG 111 2HD ARG 111 -1.020 -13.408 -13.636 672 HE ARG 111 HE ARG 111 -1.152 -15.988 -14.148 673 1HH1 ARG 111 1HH1 ARG 111 -2.746 -13.395 -15.867 674 2HH1 ARG 111 2HH1 ARG 111 -2.609 -14.159 -17.423 675 1HH2 ARG 111 1HH2 ARG 111 -0.982 -17.016 -16.214 676 2HH2 ARG 111 2HH2 ARG 111 -1.590 -16.192 -17.621 677 H ASP 112 H ASP 112 -5.371 -12.680 -13.383 678 HA ASP 112 HA ASP 112 -7.023 -14.452 -11.811 679 1HB ASP 112 1HB ASP 112 -7.515 -12.226 -10.832 680 2HB ASP 112 2HB ASP 112 -7.988 -11.646 -12.423 681 H SER 113 H SER 113 -7.458 -15.886 -13.342 682 HA SER 113 HA SER 113 -7.799 -14.991 -16.100 683 1HB SER 113 1HB SER 113 -7.544 -17.801 -15.006 684 2HB SER 113 2HB SER 113 -7.476 -17.328 -16.705 685 HG SER 113 HG SER 113 -5.709 -15.865 -15.374 686 H VAL 114 H VAL 114 -9.780 -14.594 -16.803 687 HA VAL 114 HA VAL 114 -12.039 -16.049 -15.627 688 HB VAL 114 HB VAL 114 -13.437 -14.237 -16.607 689 1HG1 VAL 114 1HG1 VAL 114 -12.839 -12.548 -14.954 690 2HG1 VAL 114 2HG1 VAL 114 -11.274 -13.329 -14.721 691 3HG1 VAL 114 3HG1 VAL 114 -12.759 -14.172 -14.276 692 1HG2 VAL 114 1HG2 VAL 114 -10.785 -12.931 -17.202 693 2HG2 VAL 114 2HG2 VAL 114 -12.366 -12.163 -17.335 694 3HG2 VAL 114 3HG2 VAL 114 -11.951 -13.510 -18.394 695 H ALA 115 H ALA 115 -13.223 -17.399 -16.813 696 HA ALA 115 HA ALA 115 -13.380 -17.207 -19.684 697 1HB ALA 115 1HB ALA 115 -12.454 -19.425 -20.148 698 2HB ALA 115 2HB ALA 115 -12.001 -19.592 -18.451 699 3HB ALA 115 3HB ALA 115 -11.236 -18.356 -19.451 700 H SER 116 H SER 116 -15.273 -18.000 -20.368 701 HA SER 116 HA SER 116 -16.536 -20.272 -19.186 702 1HB SER 116 1HB SER 116 -17.128 -18.437 -17.559 703 2HB SER 116 2HB SER 116 -17.968 -17.618 -18.872 704 HG SER 116 HG SER 116 -18.972 -19.393 -17.275 705 H VAL 117 H VAL 117 -16.534 -21.059 -21.265 706 HA VAL 117 HA VAL 117 -18.428 -19.782 -23.111 707 HB VAL 117 HB VAL 117 -15.763 -20.932 -23.942 708 1HG1 VAL 117 1HG1 VAL 117 -17.936 -19.652 -25.592 709 2HG1 VAL 117 2HG1 VAL 117 -17.488 -21.358 -25.599 710 3HG1 VAL 117 3HG1 VAL 117 -16.351 -20.143 -26.190 711 1HG2 VAL 117 1HG2 VAL 117 -16.730 -18.075 -23.906 712 2HG2 VAL 117 2HG2 VAL 117 -15.225 -18.623 -24.649 713 3HG2 VAL 117 3HG2 VAL 117 -15.452 -18.767 -22.904 714 H LEU 118 H LEU 118 -20.054 -21.247 -23.013 715 HA LEU 118 HA LEU 118 -19.377 -23.993 -23.843 716 1HB LEU 118 1HB LEU 118 -21.455 -23.136 -21.828 717 2HB LEU 118 2HB LEU 118 -21.404 -24.738 -22.536 718 HG LEU 118 HG LEU 118 -19.223 -23.518 -20.840 719 1HD1 LEU 118 1HD1 LEU 118 -21.191 -23.979 -19.516 720 2HD1 LEU 118 2HD1 LEU 118 -19.938 -25.173 -19.167 721 3HD1 LEU 118 3HD1 LEU 118 -21.303 -25.602 -20.200 722 1HD2 LEU 118 1HD2 LEU 118 -18.373 -25.106 -22.482 723 2HD2 LEU 118 2HD2 LEU 118 -19.551 -26.306 -21.944 724 3HD2 LEU 118 3HD2 LEU 118 -18.275 -25.765 -20.849 725 H GLY 119 H GLY 119 -22.458 -22.332 -23.290 726 1HA GLY 119 1HA GLY 119 -24.109 -21.654 -24.735 727 2HA GLY 119 2HA GLY 119 -22.920 -21.728 -26.025 728 H ASP 120 H ASP 120 -24.020 -24.374 -23.933 729 HA ASP 120 HA ASP 120 -24.576 -25.997 -26.251 730 1HB ASP 120 1HB ASP 120 -23.600 -26.995 -24.212 731 2HB ASP 120 2HB ASP 120 -25.049 -26.560 -23.315 732 H THR 121 H THR 121 -26.505 -26.293 -27.190 733 HA THR 121 HA THR 121 -28.710 -24.676 -26.503 734 HB THR 121 HB THR 121 -28.472 -25.359 -28.790 735 HG1 THR 121 HG1 THR 121 -30.574 -25.302 -28.846 736 1HG2 THR 121 1HG2 THR 121 -28.839 -28.208 -27.857 737 2HG2 THR 121 2HG2 THR 121 -27.337 -27.499 -28.446 738 3HG2 THR 121 3HG2 THR 121 -28.714 -27.678 -29.535 739 H LEU 122 H LEU 122 -30.050 -24.919 -24.874 740 HA LEU 122 HA LEU 122 -30.273 -27.568 -23.621 741 1HB LEU 122 1HB LEU 122 -30.830 -24.821 -22.495 742 2HB LEU 122 2HB LEU 122 -31.026 -26.325 -21.617 743 HG LEU 122 HG LEU 122 -28.396 -25.289 -22.687 744 1HD1 LEU 122 1HD1 LEU 122 -29.249 -23.886 -20.880 745 2HD1 LEU 122 2HD1 LEU 122 -27.848 -24.824 -20.357 746 3HD1 LEU 122 3HD1 LEU 122 -29.472 -25.316 -19.871 747 1HD2 LEU 122 1HD2 LEU 122 -28.481 -27.720 -22.536 748 2HD2 LEU 122 2HD2 LEU 122 -29.028 -27.603 -20.865 749 3HD2 LEU 122 3HD2 LEU 122 -27.414 -27.048 -21.302 750 HA PRO 123 HA PRO 123 -34.408 -27.432 -25.453 751 1HB PRO 123 1HB PRO 123 -34.460 -30.165 -24.339 752 2HB PRO 123 2HB PRO 123 -34.756 -29.625 -25.996 753 1HG PRO 123 1HG PRO 123 -32.518 -30.943 -25.339 754 2HG PRO 123 2HG PRO 123 -32.511 -29.645 -26.545 755 1HD PRO 123 1HD PRO 123 -31.644 -29.573 -23.681 756 2HD PRO 123 2HD PRO 123 -30.889 -28.829 -25.105 757 H PHE 124 H PHE 124 -35.646 -26.205 -24.142 758 HA PHE 124 HA PHE 124 -36.174 -27.211 -21.420 759 1HB PHE 124 1HB PHE 124 -34.926 -24.911 -21.940 760 2HB PHE 124 2HB PHE 124 -36.582 -24.335 -22.100 761 HD1 PHE 124 HD1 PHE 124 -37.981 -24.056 -20.185 762 HD2 PHE 124 HD2 PHE 124 -34.118 -25.804 -19.808 763 HE1 PHE 124 HE1 PHE 124 -38.119 -23.823 -17.742 764 HE2 PHE 124 HE2 PHE 124 -34.252 -25.574 -17.361 765 HZ PHE 124 HZ PHE 124 -36.255 -24.583 -16.324 766 H ALA 125 H ALA 125 -37.493 -26.930 -24.390 767 HA ALA 125 HA ALA 125 -40.147 -26.092 -23.554 768 1HB ALA 125 1HB ALA 125 -39.199 -27.048 -26.259 769 2HB ALA 125 2HB ALA 125 -39.259 -25.364 -25.736 770 3HB ALA 125 3HB ALA 125 -40.751 -26.293 -25.897 Start of MODEL 20 1 H GLN 23 H GLN 23 2.757 -13.247 1.590 2 HA GLN 23 HA GLN 23 0.232 -13.358 0.175 3 1HB GLN 23 1HB GLN 23 0.906 -13.615 3.103 4 2HB GLN 23 2HB GLN 23 -0.748 -13.600 2.509 5 1HG GLN 23 1HG GLN 23 -0.015 -15.547 1.010 6 2HG GLN 23 2HG GLN 23 1.386 -15.650 2.076 7 1HE2 GLN 23 1HE2 GLN 23 1.099 -16.275 4.221 8 2HE2 GLN 23 2HE2 GLN 23 -0.360 -17.024 4.776 9 HA PRO 24 HA PRO 24 -0.568 -9.277 2.685 10 1HB PRO 24 1HB PRO 24 2.154 -8.375 3.379 11 2HB PRO 24 2HB PRO 24 0.696 -8.410 4.377 12 1HG PRO 24 1HG PRO 24 2.716 -10.117 4.795 13 2HG PRO 24 2HG PRO 24 1.026 -10.604 5.014 14 1HD PRO 24 1HD PRO 24 2.870 -11.155 2.719 15 2HD PRO 24 2HD PRO 24 1.707 -12.238 3.515 16 H ASP 25 H ASP 25 -0.914 -7.528 1.421 17 HA ASP 25 HA ASP 25 0.725 -7.397 -0.982 18 1HB ASP 25 1HB ASP 25 -1.315 -5.646 -1.419 19 2HB ASP 25 2HB ASP 25 -1.364 -7.358 -1.827 20 H GLY 26 H GLY 26 -0.680 -5.131 1.342 21 1HA GLY 26 1HA GLY 26 0.462 -3.321 2.323 22 2HA GLY 26 2HA GLY 26 1.699 -3.456 1.086 23 H VAL 27 H VAL 27 0.465 -1.043 1.859 24 HA VAL 27 HA VAL 27 -1.259 -0.458 -0.435 25 HB VAL 27 HB VAL 27 -1.755 1.701 0.856 26 1HG1 VAL 27 1HG1 VAL 27 -3.358 -0.118 0.613 27 2HG1 VAL 27 2HG1 VAL 27 -3.454 0.581 2.230 28 3HG1 VAL 27 3HG1 VAL 27 -2.632 -0.959 1.983 29 1HG2 VAL 27 1HG2 VAL 27 -1.423 1.657 3.245 30 2HG2 VAL 27 2HG2 VAL 27 0.135 1.464 2.441 31 3HG2 VAL 27 3HG2 VAL 27 -0.671 0.064 3.143 32 H GLN 28 H GLN 28 -0.434 0.542 -2.075 33 HA GLN 28 HA GLN 28 2.141 1.935 -1.738 34 1HB GLN 28 1HB GLN 28 2.418 0.221 -3.292 35 2HB GLN 28 2HB GLN 28 0.843 0.478 -4.018 36 1HG GLN 28 1HG GLN 28 2.395 1.211 -5.599 37 2HG GLN 28 2HG GLN 28 1.754 2.679 -4.868 38 1HE2 GLN 28 1HE2 GLN 28 3.483 3.921 -5.363 39 2HE2 GLN 28 2HE2 GLN 28 5.038 3.732 -4.620 40 H ILE 29 H ILE 29 2.354 4.046 -2.202 41 HA ILE 29 HA ILE 29 0.071 5.688 -2.644 42 HB ILE 29 HB ILE 29 3.003 6.368 -2.922 43 1HG1 ILE 29 1HG1 ILE 29 2.329 5.683 -0.645 44 2HG1 ILE 29 2HG1 ILE 29 2.792 7.379 -0.718 45 1HG2 ILE 29 1HG2 ILE 29 1.651 7.919 -4.204 46 2HG2 ILE 29 2HG2 ILE 29 2.291 8.714 -2.765 47 3HG2 ILE 29 3HG2 ILE 29 0.608 8.192 -2.808 48 1HD1 ILE 29 1HD1 ILE 29 0.843 7.076 0.678 49 2HD1 ILE 29 2HD1 ILE 29 -0.018 6.308 -0.656 50 3HD1 ILE 29 3HD1 ILE 29 0.427 8.012 -0.757 51 H ASP 30 H ASP 30 -0.986 5.732 -4.483 52 HA ASP 30 HA ASP 30 0.218 5.125 -7.020 53 1HB ASP 30 1HB ASP 30 -2.149 4.612 -6.583 54 2HB ASP 30 2HB ASP 30 -2.486 6.322 -6.372 55 H SER 31 H SER 31 -1.478 8.004 -5.822 56 HA SER 31 HA SER 31 0.578 9.709 -6.948 57 1HB SER 31 1HB SER 31 -0.897 9.375 -8.852 58 2HB SER 31 2HB SER 31 -2.295 9.828 -7.883 59 HG SER 31 HG SER 31 -1.850 11.707 -8.758 60 H VAL 32 H VAL 32 0.573 11.752 -6.151 61 HA VAL 32 HA VAL 32 -1.030 12.248 -3.766 62 HB VAL 32 HB VAL 32 1.361 13.760 -4.857 63 1HG1 VAL 32 1HG1 VAL 32 -0.097 14.014 -2.230 64 2HG1 VAL 32 2HG1 VAL 32 -0.056 15.202 -3.532 65 3HG1 VAL 32 3HG1 VAL 32 1.417 14.826 -2.635 66 1HG2 VAL 32 1HG2 VAL 32 1.175 11.775 -2.598 67 2HG2 VAL 32 2HG2 VAL 32 2.596 12.740 -2.994 68 3HG2 VAL 32 3HG2 VAL 32 1.999 11.539 -4.138 69 H VAL 33 H VAL 33 -2.888 13.359 -4.099 70 HA VAL 33 HA VAL 33 -3.228 14.829 -6.553 71 HB VAL 33 HB VAL 33 -5.564 15.150 -5.762 72 1HG1 VAL 33 1HG1 VAL 33 -6.237 12.819 -6.058 73 2HG1 VAL 33 2HG1 VAL 33 -4.572 12.306 -5.775 74 3HG1 VAL 33 3HG1 VAL 33 -4.968 13.276 -7.195 75 1HG2 VAL 33 1HG2 VAL 33 -5.201 15.099 -3.364 76 2HG2 VAL 33 2HG2 VAL 33 -4.692 13.413 -3.462 77 3HG2 VAL 33 3HG2 VAL 33 -6.358 13.854 -3.838 78 HA PRO 34 HA PRO 34 -2.123 18.746 -4.768 79 1HB PRO 34 1HB PRO 34 -3.437 19.849 -7.163 80 2HB PRO 34 2HB PRO 34 -1.760 20.005 -6.632 81 1HG PRO 34 1HG PRO 34 -2.428 18.489 -8.743 82 2HG PRO 34 2HG PRO 34 -1.115 18.030 -7.639 83 1HD PRO 34 1HD PRO 34 -3.927 16.998 -7.778 84 2HD PRO 34 2HD PRO 34 -2.410 16.108 -7.524 85 H GLY 35 H GLY 35 -3.154 20.381 -3.692 86 1HA GLY 35 1HA GLY 35 -5.136 21.790 -3.385 87 2HA GLY 35 2HA GLY 35 -6.108 20.376 -3.776 88 H SER 36 H SER 36 -4.260 18.670 -2.215 89 HA SER 36 HA SER 36 -5.361 19.255 0.425 90 1HB SER 36 1HB SER 36 -4.210 16.713 -0.693 91 2HB SER 36 2HB SER 36 -4.919 16.885 0.906 92 HG SER 36 HG SER 36 -6.612 16.212 -0.218 93 HA PRO 37 HA PRO 37 -1.521 20.297 2.296 94 1HB PRO 37 1HB PRO 37 -1.942 18.219 4.363 95 2HB PRO 37 2HB PRO 37 -1.745 19.965 4.550 96 1HG PRO 37 1HG PRO 37 -4.125 18.809 4.876 97 2HG PRO 37 2HG PRO 37 -3.978 20.394 4.100 98 1HD PRO 37 1HD PRO 37 -4.426 17.712 2.854 99 2HD PRO 37 2HD PRO 37 -5.133 19.287 2.432 100 H ALA 38 H ALA 38 -2.112 16.990 1.504 101 HA ALA 38 HA ALA 38 0.364 15.867 2.265 102 1HB ALA 38 1HB ALA 38 -0.268 13.975 0.886 103 2HB ALA 38 2HB ALA 38 -1.546 14.925 0.132 104 3HB ALA 38 3HB ALA 38 -1.640 14.525 1.848 105 H SER 39 H SER 39 -0.589 17.750 -0.474 106 HA SER 39 HA SER 39 1.255 16.819 -2.378 107 1HB SER 39 1HB SER 39 0.135 19.619 -2.155 108 2HB SER 39 2HB SER 39 0.714 18.814 -3.612 109 HG SER 39 HG SER 39 -1.036 17.221 -3.102 110 H LYS 40 H LYS 40 1.673 18.833 0.385 111 HA LYS 40 HA LYS 40 4.273 19.770 -0.630 112 1HB LYS 40 1HB LYS 40 2.454 21.436 0.087 113 2HB LYS 40 2HB LYS 40 2.776 20.901 1.729 114 1HG LYS 40 1HG LYS 40 5.097 21.631 1.519 115 2HG LYS 40 2HG LYS 40 4.776 22.163 -0.134 116 1HD LYS 40 1HD LYS 40 3.045 23.705 0.752 117 2HD LYS 40 2HD LYS 40 3.511 23.234 2.388 118 1HE LYS 40 1HE LYS 40 5.329 24.503 0.345 119 2HE LYS 40 2HE LYS 40 4.550 25.351 1.679 120 1HZ LYS 40 1HZ LYS 40 5.760 23.909 3.226 121 2HZ LYS 40 2HZ LYS 40 6.811 24.807 2.240 122 3HZ LYS 40 3HZ LYS 40 6.551 23.163 1.919 123 H VAL 41 H VAL 41 3.283 17.211 0.908 124 HA VAL 41 HA VAL 41 5.307 17.380 3.045 125 HB VAL 41 HB VAL 41 2.739 15.786 3.090 126 1HG1 VAL 41 1HG1 VAL 41 4.899 16.016 5.182 127 2HG1 VAL 41 2HG1 VAL 41 4.554 14.591 4.202 128 3HG1 VAL 41 3HG1 VAL 41 3.363 15.169 5.370 129 1HG2 VAL 41 1HG2 VAL 41 2.099 17.249 4.939 130 2HG2 VAL 41 2HG2 VAL 41 2.375 18.168 3.458 131 3HG2 VAL 41 3HG2 VAL 41 3.593 18.167 4.732 132 H LEU 42 H LEU 42 3.553 15.064 0.976 133 HA LEU 42 HA LEU 42 5.851 13.246 1.237 134 1HB LEU 42 1HB LEU 42 2.981 12.661 0.511 135 2HB LEU 42 2HB LEU 42 4.266 11.470 0.553 136 HG LEU 42 HG LEU 42 3.263 13.030 2.938 137 1HD1 LEU 42 1HD1 LEU 42 1.609 11.441 2.127 138 2HD1 LEU 42 2HD1 LEU 42 2.310 10.893 3.650 139 3HD1 LEU 42 3HD1 LEU 42 2.820 10.158 2.129 140 1HD2 LEU 42 1HD2 LEU 42 4.633 11.487 4.238 141 2HD2 LEU 42 2HD2 LEU 42 5.624 12.417 3.115 142 3HD2 LEU 42 3HD2 LEU 42 5.217 10.740 2.752 143 H THR 43 H THR 43 6.221 11.832 -0.646 144 HA THR 43 HA THR 43 5.805 13.255 -3.179 145 HB THR 43 HB THR 43 7.837 11.920 -3.941 146 HG1 THR 43 HG1 THR 43 9.144 11.059 -2.318 147 1HG2 THR 43 1HG2 THR 43 9.441 13.456 -2.887 148 2HG2 THR 43 2HG2 THR 43 8.212 13.918 -1.707 149 3HG2 THR 43 3HG2 THR 43 7.983 14.298 -3.414 150 HA PRO 44 HA PRO 44 3.454 9.751 -4.426 151 1HB PRO 44 1HB PRO 44 4.081 10.158 -7.213 152 2HB PRO 44 2HB PRO 44 2.593 10.552 -6.352 153 1HG PRO 44 1HG PRO 44 4.333 12.423 -7.359 154 2HG PRO 44 2HG PRO 44 3.218 12.717 -6.012 155 1HD PRO 44 1HD PRO 44 6.145 12.134 -5.965 156 2HD PRO 44 2HD PRO 44 5.191 13.222 -4.933 157 H GLY 45 H GLY 45 3.722 7.603 -4.821 158 1HA GLY 45 1HA GLY 45 4.784 5.778 -5.969 159 2HA GLY 45 2HA GLY 45 6.249 6.738 -6.060 160 H LEU 46 H LEU 46 5.136 7.235 -3.029 161 HA LEU 46 HA LEU 46 7.135 5.505 -1.908 162 1HB LEU 46 1HB LEU 46 5.149 7.332 -0.563 163 2HB LEU 46 2HB LEU 46 6.455 6.494 0.252 164 HG LEU 46 HG LEU 46 6.731 8.664 -1.823 165 1HD1 LEU 46 1HD1 LEU 46 6.083 9.445 0.398 166 2HD1 LEU 46 2HD1 LEU 46 7.737 9.919 0.014 167 3HD1 LEU 46 3HD1 LEU 46 7.439 8.569 1.107 168 1HD2 LEU 46 1HD2 LEU 46 9.141 8.465 -1.446 169 2HD2 LEU 46 2HD2 LEU 46 8.472 6.976 -2.112 170 3HD2 LEU 46 3HD2 LEU 46 8.863 7.078 -0.395 171 H VAL 47 H VAL 47 6.692 4.115 -0.030 172 HA VAL 47 HA VAL 47 4.106 2.724 -0.269 173 HB VAL 47 HB VAL 47 6.708 1.680 0.888 174 1HG1 VAL 47 1HG1 VAL 47 4.080 0.271 0.413 175 2HG1 VAL 47 2HG1 VAL 47 4.760 0.697 1.983 176 3HG1 VAL 47 3HG1 VAL 47 5.570 -0.493 0.964 177 1HG2 VAL 47 1HG2 VAL 47 6.801 1.925 -1.548 178 2HG2 VAL 47 2HG2 VAL 47 5.318 0.977 -1.701 179 3HG2 VAL 47 3HG2 VAL 47 6.789 0.225 -1.076 180 H ILE 48 H ILE 48 2.825 2.525 1.515 181 HA ILE 48 HA ILE 48 3.615 4.054 3.883 182 HB ILE 48 HB ILE 48 0.933 2.883 3.121 183 1HG1 ILE 48 1HG1 ILE 48 1.843 5.760 3.175 184 2HG1 ILE 48 2HG1 ILE 48 1.755 4.784 1.714 185 1HG2 ILE 48 1HG2 ILE 48 1.699 4.679 5.418 186 2HG2 ILE 48 2HG2 ILE 48 1.173 3.000 5.533 187 3HG2 ILE 48 3HG2 ILE 48 0.050 4.239 4.974 188 1HD1 ILE 48 1HD1 ILE 48 -0.170 6.279 1.993 189 2HD1 ILE 48 2HD1 ILE 48 -0.583 5.442 3.489 190 3HD1 ILE 48 3HD1 ILE 48 -0.633 4.580 1.951 191 H GLU 49 H GLU 49 4.621 2.974 5.405 192 HA GLU 49 HA GLU 49 4.511 0.125 5.611 193 1HB GLU 49 1HB GLU 49 6.510 1.541 6.152 194 2HB GLU 49 2HB GLU 49 5.658 2.101 7.577 195 1HG GLU 49 1HG GLU 49 5.460 -0.589 7.869 196 2HG GLU 49 2HG GLU 49 7.030 -0.436 7.081 197 H SER 50 H SER 50 3.441 2.825 7.645 198 HA SER 50 HA SER 50 1.335 1.202 8.757 199 1HB SER 50 1HB SER 50 2.147 1.545 11.119 200 2HB SER 50 2HB SER 50 3.104 0.417 10.158 201 HG SER 50 HG SER 50 4.766 1.727 10.248 202 H ILE 51 H ILE 51 -0.126 2.325 10.069 203 HA ILE 51 HA ILE 51 -0.070 5.260 9.807 204 HB ILE 51 HB ILE 51 -2.400 3.627 10.814 205 1HG1 ILE 51 1HG1 ILE 51 -1.709 2.638 8.661 206 2HG1 ILE 51 2HG1 ILE 51 -3.269 3.440 8.544 207 1HG2 ILE 51 1HG2 ILE 51 -3.602 5.536 9.513 208 2HG2 ILE 51 2HG2 ILE 51 -2.050 6.360 9.662 209 3HG2 ILE 51 3HG2 ILE 51 -2.929 5.855 11.106 210 1HD1 ILE 51 1HD1 ILE 51 -1.902 3.877 6.586 211 2HD1 ILE 51 2HD1 ILE 51 -0.642 4.570 7.607 212 3HD1 ILE 51 3HD1 ILE 51 -2.211 5.365 7.481 213 H ASN 52 H ASN 52 -1.491 6.052 11.993 214 HA ASN 52 HA ASN 52 0.224 6.179 14.100 215 1HB ASN 52 1HB ASN 52 -2.797 6.175 14.317 216 2HB ASN 52 2HB ASN 52 -1.684 6.804 15.524 217 1HD2 ASN 52 1HD2 ASN 52 -2.454 8.861 15.490 218 2HD2 ASN 52 2HD2 ASN 52 -2.275 9.917 14.134 219 H GLY 53 H GLY 53 1.190 4.205 14.613 220 1HA GLY 53 1HA GLY 53 1.490 2.479 16.103 221 2HA GLY 53 2HA GLY 53 -0.109 2.816 16.739 222 H MET 54 H MET 54 -0.777 2.424 13.616 223 HA MET 54 HA MET 54 -1.080 -0.495 13.870 224 1HB MET 54 1HB MET 54 -3.147 1.486 12.894 225 2HB MET 54 2HB MET 54 -3.304 -0.257 12.766 226 1HG MET 54 1HG MET 54 -3.241 -0.441 15.204 227 2HG MET 54 2HG MET 54 -3.102 1.314 15.323 228 1HE MET 54 1HE MET 54 -5.053 2.284 12.996 229 2HE MET 54 2HE MET 54 -5.011 3.003 14.607 230 3HE MET 54 3HE MET 54 -6.549 2.507 13.903 231 HA PRO 55 HA PRO 55 0.712 -0.123 9.746 232 1HB PRO 55 1HB PRO 55 1.246 -2.935 9.878 233 2HB PRO 55 2HB PRO 55 2.397 -1.606 9.976 234 1HG PRO 55 1HG PRO 55 1.788 -3.299 12.064 235 2HG PRO 55 2HG PRO 55 2.464 -1.673 12.252 236 1HD PRO 55 1HD PRO 55 -0.358 -2.602 12.570 237 2HD PRO 55 2HD PRO 55 0.541 -1.372 13.485 238 H THR 56 H THR 56 -0.264 -0.475 7.803 239 HA THR 56 HA THR 56 -2.465 -2.432 7.748 240 HB THR 56 HB THR 56 -3.577 -0.942 6.082 241 HG1 THR 56 HG1 THR 56 -1.621 0.292 5.598 242 1HG2 THR 56 1HG2 THR 56 -3.079 0.271 8.807 243 2HG2 THR 56 2HG2 THR 56 -4.275 -0.969 8.430 244 3HG2 THR 56 3HG2 THR 56 -4.434 0.648 7.742 245 H SER 57 H SER 57 -1.981 -4.061 6.481 246 HA SER 57 HA SER 57 -0.256 -3.747 4.160 247 1HB SER 57 1HB SER 57 -0.013 -5.773 5.460 248 2HB SER 57 2HB SER 57 -1.734 -6.124 5.322 249 HG SER 57 HG SER 57 -1.402 -6.348 3.049 250 H ASN 58 H ASN 58 -3.671 -4.616 4.803 251 HA ASN 58 HA ASN 58 -4.045 -4.903 1.929 252 1HB ASN 58 1HB ASN 58 -6.042 -5.304 4.183 253 2HB ASN 58 2HB ASN 58 -6.289 -5.735 2.495 254 1HD2 ASN 58 1HD2 ASN 58 -5.180 -7.506 1.635 255 2HD2 ASN 58 2HD2 ASN 58 -4.439 -8.697 2.642 256 H LEU 59 H LEU 59 -5.810 -3.723 0.821 257 HA LEU 59 HA LEU 59 -5.844 -0.967 1.424 258 1HB LEU 59 1HB LEU 59 -6.916 -2.708 -0.626 259 2HB LEU 59 2HB LEU 59 -8.063 -1.462 -0.192 260 HG LEU 59 HG LEU 59 -5.249 -1.043 -1.194 261 1HD1 LEU 59 1HD1 LEU 59 -6.865 -1.689 -2.915 262 2HD1 LEU 59 2HD1 LEU 59 -6.343 -0.017 -3.110 263 3HD1 LEU 59 3HD1 LEU 59 -7.925 -0.370 -2.414 264 1HD2 LEU 59 1HD2 LEU 59 -5.775 0.639 0.471 265 2HD2 LEU 59 2HD2 LEU 59 -7.308 0.983 -0.327 266 3HD2 LEU 59 3HD2 LEU 59 -5.786 1.354 -1.140 267 H THR 60 H THR 60 -8.116 -3.578 2.031 268 HA THR 60 HA THR 60 -10.236 -2.031 3.021 269 HB THR 60 HB THR 60 -9.600 -4.820 3.972 270 HG1 THR 60 HG1 THR 60 -10.983 -5.242 1.910 271 1HG2 THR 60 1HG2 THR 60 -12.193 -3.406 3.322 272 2HG2 THR 60 2HG2 THR 60 -11.567 -3.723 4.941 273 3HG2 THR 60 3HG2 THR 60 -12.043 -5.064 3.901 274 H THR 61 H THR 61 -7.401 -3.453 4.637 275 HA THR 61 HA THR 61 -8.229 -2.680 7.253 276 HB THR 61 HB THR 61 -5.741 -3.027 7.794 277 HG1 THR 61 HG1 THR 61 -5.134 -2.756 5.497 278 1HG2 THR 61 1HG2 THR 61 -7.449 -4.729 8.213 279 2HG2 THR 61 2HG2 THR 61 -5.947 -5.467 7.659 280 3HG2 THR 61 3HG2 THR 61 -7.303 -5.290 6.547 281 H TYR 62 H TYR 62 -6.383 -1.162 4.695 282 HA TYR 62 HA TYR 62 -5.444 1.071 6.153 283 1HB TYR 62 1HB TYR 62 -4.586 0.417 3.928 284 2HB TYR 62 2HB TYR 62 -6.133 0.843 3.213 285 HD1 TYR 62 HD1 TYR 62 -6.703 3.140 2.767 286 HD2 TYR 62 HD2 TYR 62 -3.078 2.166 4.774 287 HE1 TYR 62 HE1 TYR 62 -5.892 5.434 2.408 288 HE2 TYR 62 HE2 TYR 62 -2.262 4.457 4.422 289 HH TYR 62 HH TYR 62 -4.217 6.994 3.527 290 H SER 63 H SER 63 -8.361 0.494 4.241 291 HA SER 63 HA SER 63 -9.540 3.029 4.574 292 1HB SER 63 1HB SER 63 -10.200 1.146 2.950 293 2HB SER 63 2HB SER 63 -11.055 0.423 4.311 294 HG SER 63 HG SER 63 -12.022 2.180 2.692 295 H ALA 64 H ALA 64 -9.598 0.090 6.526 296 HA ALA 64 HA ALA 64 -11.603 0.871 8.343 297 1HB ALA 64 1HB ALA 64 -10.743 -0.888 9.791 298 2HB ALA 64 2HB ALA 64 -9.282 -0.996 8.811 299 3HB ALA 64 3HB ALA 64 -10.841 -1.444 8.120 300 H ALA 65 H ALA 65 -8.158 1.492 8.219 301 HA ALA 65 HA ALA 65 -8.045 2.722 10.809 302 1HB ALA 65 1HB ALA 65 -5.793 3.402 10.174 303 2HB ALA 65 2HB ALA 65 -6.101 2.909 8.510 304 3HB ALA 65 3HB ALA 65 -6.058 1.701 9.794 305 H LEU 66 H LEU 66 -8.340 3.804 7.481 306 HA LEU 66 HA LEU 66 -8.143 6.556 7.874 307 1HB LEU 66 1HB LEU 66 -8.815 4.729 5.788 308 2HB LEU 66 2HB LEU 66 -10.006 6.011 5.806 309 HG LEU 66 HG LEU 66 -8.085 6.403 4.272 310 1HD1 LEU 66 1HD1 LEU 66 -7.732 8.733 4.948 311 2HD1 LEU 66 2HD1 LEU 66 -8.448 8.371 6.520 312 3HD1 LEU 66 3HD1 LEU 66 -9.423 8.251 5.056 313 1HD2 LEU 66 1HD2 LEU 66 -6.327 5.408 5.629 314 2HD2 LEU 66 2HD2 LEU 66 -6.533 6.668 6.845 315 3HD2 LEU 66 3HD2 LEU 66 -5.943 7.083 5.234 316 H LYS 67 H LYS 67 -10.886 4.370 8.146 317 HA LYS 67 HA LYS 67 -12.825 6.438 8.390 318 1HB LYS 67 1HB LYS 67 -12.928 3.475 8.894 319 2HB LYS 67 2HB LYS 67 -14.320 4.525 9.130 320 1HG LYS 67 1HG LYS 67 -14.299 5.168 6.817 321 2HG LYS 67 2HG LYS 67 -12.805 4.272 6.543 322 1HD LYS 67 1HD LYS 67 -13.931 2.179 6.984 323 2HD LYS 67 2HD LYS 67 -15.420 3.037 7.400 324 1HE LYS 67 1HE LYS 67 -15.597 3.888 5.139 325 2HE LYS 67 2HE LYS 67 -14.062 3.136 4.711 326 1HZ LYS 67 1HZ LYS 67 -16.426 1.599 5.628 327 2HZ LYS 67 2HZ LYS 67 -15.002 0.991 4.933 328 3HZ LYS 67 3HZ LYS 67 -16.081 1.902 3.996 329 H THR 68 H THR 68 -10.539 5.327 10.572 330 HA THR 68 HA THR 68 -12.182 6.175 12.842 331 HB THR 68 HB THR 68 -10.221 5.446 14.253 332 HG1 THR 68 HG1 THR 68 -9.040 5.157 11.894 333 1HG2 THR 68 1HG2 THR 68 -12.241 4.105 14.011 334 2HG2 THR 68 2HG2 THR 68 -10.815 3.072 14.107 335 3HG2 THR 68 3HG2 THR 68 -11.587 3.367 12.548 336 H ILE 69 H ILE 69 -9.980 7.408 10.650 337 HA ILE 69 HA ILE 69 -8.659 9.272 12.411 338 HB ILE 69 HB ILE 69 -8.732 9.218 9.389 339 1HG1 ILE 69 1HG1 ILE 69 -7.777 7.149 10.270 340 2HG1 ILE 69 2HG1 ILE 69 -6.518 8.144 9.550 341 1HG2 ILE 69 1HG2 ILE 69 -6.746 10.613 9.506 342 2HG2 ILE 69 2HG2 ILE 69 -6.839 10.621 11.267 343 3HG2 ILE 69 3HG2 ILE 69 -8.106 11.391 10.312 344 1HD1 ILE 69 1HD1 ILE 69 -7.091 7.874 12.491 345 2HD1 ILE 69 2HD1 ILE 69 -5.838 8.886 11.772 346 3HD1 ILE 69 3HD1 ILE 69 -5.756 7.132 11.607 347 H SER 70 H SER 70 -9.162 11.367 12.754 348 HA SER 70 HA SER 70 -11.845 12.201 12.098 349 1HB SER 70 1HB SER 70 -9.829 13.888 13.550 350 2HB SER 70 2HB SER 70 -11.576 13.809 13.778 351 HG SER 70 HG SER 70 -9.590 12.328 14.926 352 H VAL 71 H VAL 71 -12.271 14.433 11.350 353 HA VAL 71 HA VAL 71 -10.716 15.156 9.041 354 HB VAL 71 HB VAL 71 -12.919 16.741 10.375 355 1HG1 VAL 71 1HG1 VAL 71 -11.858 16.775 7.557 356 2HG1 VAL 71 2HG1 VAL 71 -11.605 18.017 8.780 357 3HG1 VAL 71 3HG1 VAL 71 -13.225 17.716 8.151 358 1HG2 VAL 71 1HG2 VAL 71 -13.119 14.636 8.226 359 2HG2 VAL 71 2HG2 VAL 71 -14.439 15.685 8.753 360 3HG2 VAL 71 3HG2 VAL 71 -13.739 14.515 9.872 361 H GLY 72 H GLY 72 -9.002 16.488 9.014 362 1HA GLY 72 1HA GLY 72 -7.592 18.213 9.650 363 2HA GLY 72 2HA GLY 72 -8.739 18.646 10.915 364 H GLU 73 H GLU 73 -7.658 15.401 10.587 365 HA GLU 73 HA GLU 73 -6.414 15.460 13.201 366 1HB GLU 73 1HB GLU 73 -7.926 13.602 12.409 367 2HB GLU 73 2HB GLU 73 -6.660 13.171 11.279 368 1HG GLU 73 1HG GLU 73 -6.426 11.697 13.067 369 2HG GLU 73 2HG GLU 73 -5.139 12.882 13.261 370 H VAL 74 H VAL 74 -4.252 14.974 13.568 371 HA VAL 74 HA VAL 74 -2.525 15.210 11.203 372 HB VAL 74 HB VAL 74 -1.766 15.644 14.109 373 1HG1 VAL 74 1HG1 VAL 74 0.318 16.565 13.194 374 2HG1 VAL 74 2HG1 VAL 74 -0.212 16.134 11.569 375 3HG1 VAL 74 3HG1 VAL 74 0.106 14.870 12.757 376 1HG2 VAL 74 1HG2 VAL 74 -2.240 17.655 11.911 377 2HG2 VAL 74 2HG2 VAL 74 -1.645 18.023 13.530 378 3HG2 VAL 74 3HG2 VAL 74 -3.275 17.386 13.311 379 H ILE 75 H ILE 75 -2.230 13.190 10.485 380 HA ILE 75 HA ILE 75 -2.026 11.010 12.404 381 HB ILE 75 HB ILE 75 -2.151 9.525 10.426 382 1HG1 ILE 75 1HG1 ILE 75 -2.540 12.121 8.907 383 2HG1 ILE 75 2HG1 ILE 75 -1.160 11.039 8.759 384 1HG2 ILE 75 1HG2 ILE 75 -4.151 10.121 11.643 385 2HG2 ILE 75 2HG2 ILE 75 -4.512 10.008 9.920 386 3HG2 ILE 75 3HG2 ILE 75 -4.334 11.589 10.684 387 1HD1 ILE 75 1HD1 ILE 75 -2.615 9.295 7.881 388 2HD1 ILE 75 2HD1 ILE 75 -2.706 10.764 6.908 389 3HD1 ILE 75 3HD1 ILE 75 -4.002 10.372 8.039 390 H ASN 76 H ASN 76 -0.465 9.277 11.941 391 HA ASN 76 HA ASN 76 2.148 10.430 11.224 392 1HB ASN 76 1HB ASN 76 2.003 9.963 13.616 393 2HB ASN 76 2HB ASN 76 1.447 8.325 13.291 394 1HD2 ASN 76 1HD2 ASN 76 3.105 7.375 14.382 395 2HD2 ASN 76 2HD2 ASN 76 4.734 7.347 13.786 396 H ILE 77 H ILE 77 2.946 9.589 9.422 397 HA ILE 77 HA ILE 77 2.115 6.864 8.651 398 HB ILE 77 HB ILE 77 2.764 9.086 6.711 399 1HG1 ILE 77 1HG1 ILE 77 0.008 8.133 7.523 400 2HG1 ILE 77 2HG1 ILE 77 0.736 9.638 8.071 401 1HG2 ILE 77 1HG2 ILE 77 1.643 7.609 5.097 402 2HG2 ILE 77 2HG2 ILE 77 1.413 6.410 6.371 403 3HG2 ILE 77 3HG2 ILE 77 3.042 6.837 5.847 404 1HD1 ILE 77 1HD1 ILE 77 -0.823 10.011 6.239 405 2HD1 ILE 77 2HD1 ILE 77 0.122 8.934 5.212 406 3HD1 ILE 77 3HD1 ILE 77 0.823 10.448 5.781 407 H THR 78 H THR 78 3.868 5.661 9.068 408 HA THR 78 HA THR 78 6.529 6.586 8.454 409 HB THR 78 HB THR 78 5.621 3.777 9.139 410 HG1 THR 78 HG1 THR 78 5.105 4.974 10.910 411 1HG2 THR 78 1HG2 THR 78 8.343 5.085 9.345 412 2HG2 THR 78 2HG2 THR 78 7.861 3.909 8.123 413 3HG2 THR 78 3HG2 THR 78 7.947 3.434 9.818 414 H THR 79 H THR 79 7.377 6.541 6.460 415 HA THR 79 HA THR 79 6.077 4.805 4.459 416 HB THR 79 HB THR 79 6.582 6.531 2.773 417 HG1 THR 79 HG1 THR 79 7.666 7.827 5.039 418 1HG2 THR 79 1HG2 THR 79 4.968 7.578 5.098 419 2HG2 THR 79 2HG2 THR 79 4.376 6.503 3.831 420 3HG2 THR 79 3HG2 THR 79 4.874 8.148 3.431 421 H ASP 80 H ASP 80 7.560 5.035 2.358 422 HA ASP 80 HA ASP 80 9.839 3.491 2.682 423 1HB ASP 80 1HB ASP 80 8.668 3.689 0.562 424 2HB ASP 80 2HB ASP 80 9.078 5.395 0.459 425 H GLN 81 H GLN 81 9.470 6.993 2.672 426 HA GLN 81 HA GLN 81 12.362 7.368 2.732 427 1HB GLN 81 1HB GLN 81 10.119 9.389 2.618 428 2HB GLN 81 2HB GLN 81 11.832 9.782 2.564 429 1HG GLN 81 1HG GLN 81 12.061 8.544 0.482 430 2HG GLN 81 2HG GLN 81 10.350 8.122 0.539 431 1HE2 GLN 81 1HE2 GLN 81 9.621 10.768 1.594 432 2HE2 GLN 81 2HE2 GLN 81 9.707 11.842 0.243 433 H GLY 82 H GLY 82 10.253 6.537 4.946 434 1HA GLY 82 1HA GLY 82 11.123 6.442 7.226 435 2HA GLY 82 2HA GLY 82 11.627 8.113 7.027 436 H THR 83 H THR 83 10.432 8.194 9.118 437 HA THR 83 HA THR 83 7.578 7.994 9.102 438 HB THR 83 HB THR 83 9.315 9.363 11.156 439 HG1 THR 83 HG1 THR 83 9.045 7.069 12.101 440 1HG2 THR 83 1HG2 THR 83 6.920 9.694 11.447 441 2HG2 THR 83 2HG2 THR 83 7.547 8.630 12.707 442 3HG2 THR 83 3HG2 THR 83 6.650 7.956 11.346 443 H PHE 84 H PHE 84 6.161 9.519 8.484 444 HA PHE 84 HA PHE 84 6.938 12.343 8.759 445 1HB PHE 84 1HB PHE 84 5.450 11.121 6.431 446 2HB PHE 84 2HB PHE 84 5.591 12.847 6.715 447 HD1 PHE 84 HD1 PHE 84 7.243 9.866 5.485 448 HD2 PHE 84 HD2 PHE 84 7.769 13.966 6.501 449 HE1 PHE 84 HE1 PHE 84 9.346 9.911 4.209 450 HE2 PHE 84 HE2 PHE 84 9.872 14.014 5.228 451 HZ PHE 84 HZ PHE 84 10.663 11.984 4.082 452 H HIS 85 H HIS 85 5.127 13.788 9.038 453 HA HIS 85 HA HIS 85 2.709 12.430 10.022 454 1HB HIS 85 1HB HIS 85 4.017 14.956 11.045 455 2HB HIS 85 2HB HIS 85 2.417 14.421 11.527 456 HD1 HIS 85 HD1 HIS 85 2.376 13.102 13.634 457 HD2 HIS 85 HD2 HIS 85 6.050 12.844 11.692 458 HE1 HIS 85 HE1 HIS 85 3.845 11.715 15.133 459 HE2 HIS 85 HE2 HIS 85 6.096 11.671 13.998 460 H LEU 86 H LEU 86 0.749 13.219 9.358 461 HA LEU 86 HA LEU 86 0.820 15.404 7.390 462 1HB LEU 86 1HB LEU 86 0.932 12.876 6.559 463 2HB LEU 86 2HB LEU 86 -0.798 12.988 6.759 464 HG LEU 86 HG LEU 86 0.833 14.831 5.000 465 1HD1 LEU 86 1HD1 LEU 86 -0.797 12.398 4.295 466 2HD1 LEU 86 2HD1 LEU 86 0.954 12.563 4.163 467 3HD1 LEU 86 3HD1 LEU 86 -0.103 13.534 3.139 468 1HD2 LEU 86 1HD2 LEU 86 -1.272 15.808 5.748 469 2HD2 LEU 86 2HD2 LEU 86 -2.139 14.369 5.212 470 3HD2 LEU 86 3HD2 LEU 86 -1.342 15.407 4.032 471 H LYS 87 H LYS 87 -0.965 16.650 7.353 472 HA LYS 87 HA LYS 87 -3.045 16.061 9.328 473 1HB LYS 87 1HB LYS 87 -1.933 18.272 9.404 474 2HB LYS 87 2HB LYS 87 -2.527 18.607 7.783 475 1HG LYS 87 1HG LYS 87 -4.803 18.583 8.553 476 2HG LYS 87 2HG LYS 87 -4.292 18.066 10.162 477 1HD LYS 87 1HD LYS 87 -4.784 20.459 10.118 478 2HD LYS 87 2HD LYS 87 -3.075 20.170 10.451 479 1HE LYS 87 1HE LYS 87 -2.586 20.581 8.064 480 2HE LYS 87 2HE LYS 87 -4.287 20.962 7.806 481 1HZ LYS 87 1HZ LYS 87 -4.070 22.793 9.376 482 2HZ LYS 87 2HZ LYS 87 -2.981 22.966 8.091 483 3HZ LYS 87 3HZ LYS 87 -2.429 22.430 9.603 484 H THR 88 H THR 88 -4.959 15.336 8.749 485 HA THR 88 HA THR 88 -5.452 14.626 6.037 486 HB THR 88 HB THR 88 -7.644 13.808 6.917 487 HG1 THR 88 HG1 THR 88 -7.776 13.856 9.285 488 1HG2 THR 88 1HG2 THR 88 -5.173 13.014 8.469 489 2HG2 THR 88 2HG2 THR 88 -5.671 12.370 6.904 490 3HG2 THR 88 3HG2 THR 88 -6.647 12.059 8.340 491 H GLY 89 H GLY 89 -6.922 15.375 4.573 492 1HA GLY 89 1HA GLY 89 -7.542 18.155 4.740 493 2HA GLY 89 2HA GLY 89 -7.915 17.078 3.402 494 H ARG 90 H ARG 90 -9.886 18.404 3.417 495 HA ARG 90 HA ARG 90 -11.814 17.545 5.478 496 1HB ARG 90 1HB ARG 90 -11.219 20.241 4.356 497 2HB ARG 90 2HB ARG 90 -12.893 19.866 4.727 498 1HG ARG 90 1HG ARG 90 -11.863 21.032 6.568 499 2HG ARG 90 2HG ARG 90 -12.266 19.386 7.043 500 1HD ARG 90 1HD ARG 90 -9.956 18.708 6.785 501 2HD ARG 90 2HD ARG 90 -9.528 20.318 6.194 502 HE ARG 90 HE ARG 90 -10.686 20.064 8.869 503 1HH1 ARG 90 1HH1 ARG 90 -7.904 20.768 6.856 504 2HH1 ARG 90 2HH1 ARG 90 -7.005 21.498 8.152 505 1HH2 ARG 90 1HH2 ARG 90 -9.512 21.007 10.569 506 2HH2 ARG 90 2HH2 ARG 90 -7.895 21.597 10.275 507 H ASN 91 H ASN 91 -13.975 17.374 4.846 508 HA ASN 91 HA ASN 91 -15.782 16.963 3.583 509 1HB ASN 91 1HB ASN 91 -14.451 18.797 1.587 510 2HB ASN 91 2HB ASN 91 -16.148 18.325 1.582 511 1HD2 ASN 91 1HD2 ASN 91 -13.802 20.440 2.856 512 2HD2 ASN 91 2HD2 ASN 91 -14.842 21.329 3.923 513 HA PRO 92 HA PRO 92 -14.413 13.783 0.672 514 1HB PRO 92 1HB PRO 92 -15.141 11.638 2.089 515 2HB PRO 92 2HB PRO 92 -13.619 12.467 2.426 516 1HG PRO 92 1HG PRO 92 -16.159 12.487 3.953 517 2HG PRO 92 2HG PRO 92 -14.495 12.668 4.532 518 1HD PRO 92 1HD PRO 92 -16.387 14.737 4.012 519 2HD PRO 92 2HD PRO 92 -14.683 14.923 4.464 520 H ASN 93 H ASN 93 -16.256 11.522 0.717 521 HA ASN 93 HA ASN 93 -18.680 12.933 -0.140 522 1HB ASN 93 1HB ASN 93 -17.737 11.497 -1.846 523 2HB ASN 93 2HB ASN 93 -17.731 10.126 -0.741 524 1HD2 ASN 93 1HD2 ASN 93 -19.003 8.883 -2.095 525 2HD2 ASN 93 2HD2 ASN 93 -20.691 9.190 -2.324 526 H ASN 94 H ASN 94 -18.446 9.576 0.978 527 HA ASN 94 HA ASN 94 -20.721 10.135 2.749 528 1HB ASN 94 1HB ASN 94 -20.978 8.371 1.010 529 2HB ASN 94 2HB ASN 94 -19.684 7.462 1.780 530 1HD2 ASN 94 1HD2 ASN 94 -22.971 8.562 2.052 531 2HD2 ASN 94 2HD2 ASN 94 -23.435 7.494 3.332 532 H SER 95 H SER 95 -17.396 9.506 2.826 533 HA SER 95 HA SER 95 -17.176 8.052 5.229 534 1HB SER 95 1HB SER 95 -15.192 10.041 4.101 535 2HB SER 95 2HB SER 95 -14.845 8.747 5.247 536 HG SER 95 HG SER 95 -14.284 7.910 3.315 537 H SER 96 H SER 96 -17.323 11.512 4.554 538 HA SER 96 HA SER 96 -17.633 13.352 5.845 539 1HB SER 96 1HB SER 96 -18.774 11.295 7.739 540 2HB SER 96 2HB SER 96 -18.897 13.038 7.965 541 HG SER 96 HG SER 96 -20.489 11.483 6.549 542 H ARG 97 H ARG 97 -15.227 11.547 6.184 543 HA ARG 97 HA ARG 97 -14.206 12.673 8.698 544 1HB ARG 97 1HB ARG 97 -13.702 9.929 7.533 545 2HB ARG 97 2HB ARG 97 -12.856 10.591 8.926 546 1HG ARG 97 1HG ARG 97 -14.769 10.527 10.265 547 2HG ARG 97 2HG ARG 97 -15.839 10.336 8.872 548 1HD ARG 97 1HD ARG 97 -14.886 8.126 8.453 549 2HD ARG 97 2HD ARG 97 -13.827 8.323 9.850 550 HE ARG 97 HE ARG 97 -15.939 8.459 11.193 551 1HH1 ARG 97 1HH1 ARG 97 -15.902 6.823 8.103 552 2HH1 ARG 97 2HH1 ARG 97 -17.184 5.727 8.516 553 1HH2 ARG 97 1HH2 ARG 97 -17.626 7.039 11.742 554 2HH2 ARG 97 2HH2 ARG 97 -18.175 5.862 10.589 555 H ALA 98 H ALA 98 -11.627 11.827 8.491 556 HA ALA 98 HA ALA 98 -10.217 13.578 6.982 557 1HB ALA 98 1HB ALA 98 -8.323 12.067 7.216 558 2HB ALA 98 2HB ALA 98 -9.417 10.747 7.624 559 3HB ALA 98 3HB ALA 98 -9.264 12.132 8.707 560 H TYR 99 H TYR 99 -9.444 13.723 4.915 561 HA TYR 99 HA TYR 99 -10.308 11.615 3.043 562 1HB TYR 99 1HB TYR 99 -11.475 13.851 2.833 563 2HB TYR 99 2HB TYR 99 -9.923 14.541 2.373 564 HD1 TYR 99 HD1 TYR 99 -9.537 14.787 0.115 565 HD2 TYR 99 HD2 TYR 99 -12.090 11.648 1.422 566 HE1 TYR 99 HE1 TYR 99 -9.954 14.160 -2.227 567 HE2 TYR 99 HE2 TYR 99 -12.518 11.010 -0.908 568 HH TYR 99 HH TYR 99 -12.423 11.932 -3.124 569 H MET 100 H MET 100 -7.671 13.268 4.368 570 HA MET 100 HA MET 100 -5.447 13.387 3.923 571 1HB MET 100 1HB MET 100 -6.063 10.912 2.298 572 2HB MET 100 2HB MET 100 -4.442 11.474 2.675 573 1HG MET 100 1HG MET 100 -4.989 11.254 5.087 574 2HG MET 100 2HG MET 100 -6.533 10.541 4.624 575 1HE MET 100 1HE MET 100 -3.002 10.117 2.943 576 2HE MET 100 2HE MET 100 -2.429 8.635 3.708 577 3HE MET 100 3HE MET 100 -2.625 10.104 4.664 578 H GLY 101 H GLY 101 -4.119 12.573 1.418 579 1HA GLY 101 1HA GLY 101 -5.346 14.228 -0.620 580 2HA GLY 101 2HA GLY 101 -3.872 14.883 0.072 581 H ILE 102 H ILE 102 -4.455 11.464 -0.412 582 HA ILE 102 HA ILE 102 -2.823 11.437 -2.824 583 HB ILE 102 HB ILE 102 -1.369 9.611 -1.964 584 1HG1 ILE 102 1HG1 ILE 102 -1.123 9.629 0.632 585 2HG1 ILE 102 2HG1 ILE 102 -2.754 10.280 0.634 586 1HG2 ILE 102 1HG2 ILE 102 -0.496 11.852 -2.083 587 2HG2 ILE 102 2HG2 ILE 102 0.139 11.038 -0.651 588 3HG2 ILE 102 3HG2 ILE 102 -1.155 12.225 -0.493 589 1HD1 ILE 102 1HD1 ILE 102 -3.547 8.281 -0.514 590 2HD1 ILE 102 2HD1 ILE 102 -2.753 7.895 1.011 591 3HD1 ILE 102 3HD1 ILE 102 -1.908 7.630 -0.512 592 H ARG 103 H ARG 103 -2.784 9.247 -3.793 593 HA ARG 103 HA ARG 103 -5.292 7.811 -3.241 594 1HB ARG 103 1HB ARG 103 -3.593 7.837 -5.747 595 2HB ARG 103 2HB ARG 103 -5.116 6.984 -5.550 596 1HG ARG 103 1HG ARG 103 -4.781 9.974 -5.408 597 2HG ARG 103 2HG ARG 103 -5.337 9.077 -6.821 598 1HD ARG 103 1HD ARG 103 -7.242 8.244 -5.537 599 2HD ARG 103 2HD ARG 103 -6.690 9.149 -4.129 600 HE ARG 103 HE ARG 103 -6.944 10.973 -6.199 601 1HH1 ARG 103 1HH1 ARG 103 -9.046 8.781 -4.455 602 2HH1 ARG 103 2HH1 ARG 103 -10.448 9.809 -4.599 603 1HH2 ARG 103 1HH2 ARG 103 -8.799 12.320 -6.400 604 2HH2 ARG 103 2HH2 ARG 103 -10.296 11.810 -5.690 605 H THR 104 H THR 104 -5.193 5.715 -2.619 606 HA THR 104 HA THR 104 -2.514 4.544 -2.415 607 HB THR 104 HB THR 104 -3.951 3.069 -0.673 608 HG1 THR 104 HG1 THR 104 -4.934 5.542 0.069 609 1HG2 THR 104 1HG2 THR 104 -2.975 4.474 1.085 610 2HG2 THR 104 2HG2 THR 104 -2.639 5.731 -0.105 611 3HG2 THR 104 3HG2 THR 104 -1.822 4.169 -0.213 612 H SER 105 H SER 105 -2.071 2.715 -3.371 613 HA SER 105 HA SER 105 -4.272 1.123 -4.494 614 1HB SER 105 1HB SER 105 -1.353 1.196 -5.307 615 2HB SER 105 2HB SER 105 -2.621 0.248 -6.086 616 HG SER 105 HG SER 105 -2.071 2.324 -7.092 617 H ASN 106 H ASN 106 -3.785 -1.228 -4.575 618 HA ASN 106 HA ASN 106 -2.468 -2.138 -2.118 619 1HB ASN 106 1HB ASN 106 -5.017 -2.357 -2.372 620 2HB ASN 106 2HB ASN 106 -4.678 -3.554 -3.614 621 1HD2 ASN 106 1HD2 ASN 106 -2.735 -3.137 -0.731 622 2HD2 ASN 106 2HD2 ASN 106 -3.158 -4.650 -0.017 623 H HIS 107 H HIS 107 -1.053 -1.664 -4.406 624 HA HIS 107 HA HIS 107 -0.853 -4.015 -6.059 625 1HB HIS 107 1HB HIS 107 -0.593 -1.744 -7.007 626 2HB HIS 107 2HB HIS 107 0.820 -1.489 -5.992 627 HD1 HIS 107 HD1 HIS 107 -0.332 -3.463 -8.987 628 HD2 HIS 107 HD2 HIS 107 3.184 -2.495 -6.989 629 HE1 HIS 107 HE1 HIS 107 1.537 -4.224 -10.491 630 HE2 HIS 107 HE2 HIS 107 3.630 -3.357 -9.384 631 H LEU 108 H LEU 108 0.216 -5.738 -5.390 632 HA LEU 108 HA LEU 108 1.964 -5.899 -3.240 633 1HB LEU 108 1HB LEU 108 1.506 -7.614 -5.637 634 2HB LEU 108 2HB LEU 108 2.848 -7.975 -4.576 635 HG LEU 108 HG LEU 108 0.123 -7.645 -3.409 636 1HD1 LEU 108 1HD1 LEU 108 1.165 -10.160 -4.717 637 2HD1 LEU 108 2HD1 LEU 108 -0.204 -9.195 -5.267 638 3HD1 LEU 108 3HD1 LEU 108 -0.288 -10.043 -3.725 639 1HD2 LEU 108 1HD2 LEU 108 2.469 -9.400 -2.708 640 2HD2 LEU 108 2HD2 LEU 108 0.997 -9.186 -1.755 641 3HD2 LEU 108 3HD2 LEU 108 2.112 -7.837 -1.974 642 H ARG 109 H ARG 109 4.024 -5.606 -2.938 643 HA ARG 109 HA ARG 109 5.771 -4.993 -5.211 644 1HB ARG 109 1HB ARG 109 4.834 -2.871 -4.192 645 2HB ARG 109 2HB ARG 109 5.679 -3.293 -2.710 646 1HG ARG 109 1HG ARG 109 7.797 -3.065 -3.744 647 2HG ARG 109 2HG ARG 109 7.069 -2.946 -5.348 648 1HD ARG 109 1HD ARG 109 6.004 -0.840 -4.712 649 2HD ARG 109 2HD ARG 109 6.717 -0.959 -3.104 650 HE ARG 109 HE ARG 109 8.782 -1.086 -4.984 651 1HH1 ARG 109 1HH1 ARG 109 6.402 1.262 -3.895 652 2HH1 ARG 109 2HH1 ARG 109 7.445 2.621 -4.191 653 1HH2 ARG 109 1HH2 ARG 109 10.126 0.702 -5.361 654 2HH2 ARG 109 2HH2 ARG 109 9.550 2.307 -5.014 655 H VAL 110 H VAL 110 7.762 -5.878 -5.013 656 HA VAL 110 HA VAL 110 8.058 -7.846 -2.990 657 HB VAL 110 HB VAL 110 8.831 -8.255 -5.245 658 1HG1 VAL 110 1HG1 VAL 110 10.921 -6.154 -4.718 659 2HG1 VAL 110 2HG1 VAL 110 9.582 -6.030 -5.859 660 3HG1 VAL 110 3HG1 VAL 110 10.862 -7.214 -6.129 661 1HG2 VAL 110 1HG2 VAL 110 11.034 -9.200 -4.731 662 2HG2 VAL 110 2HG2 VAL 110 9.846 -9.538 -3.473 663 3HG2 VAL 110 3HG2 VAL 110 11.061 -8.280 -3.228 664 H ARG 111 H ARG 111 9.111 -7.842 -1.166 665 HA ARG 111 HA ARG 111 10.465 -5.426 -0.278 666 1HB ARG 111 1HB ARG 111 9.857 -8.004 1.192 667 2HB ARG 111 2HB ARG 111 10.539 -6.560 1.926 668 1HG ARG 111 1HG ARG 111 7.855 -6.630 0.566 669 2HG ARG 111 2HG ARG 111 8.089 -6.877 2.296 670 1HD ARG 111 1HD ARG 111 8.994 -4.420 0.800 671 2HD ARG 111 2HD ARG 111 7.457 -4.544 1.657 672 HE ARG 111 HE ARG 111 9.444 -5.259 3.459 673 1HH1 ARG 111 1HH1 ARG 111 8.541 -2.401 1.638 674 2HH1 ARG 111 2HH1 ARG 111 9.177 -1.298 2.819 675 1HH2 ARG 111 1HH2 ARG 111 10.256 -3.828 4.996 676 2HH2 ARG 111 2HH2 ARG 111 10.158 -2.113 4.738 677 H ASP 112 H ASP 112 11.193 -8.433 -1.611 678 HA ASP 112 HA ASP 112 13.082 -9.432 -2.312 679 1HB ASP 112 1HB ASP 112 13.490 -7.069 -3.111 680 2HB ASP 112 2HB ASP 112 14.498 -6.841 -1.686 681 H SER 113 H SER 113 12.362 -9.559 0.506 682 HA SER 113 HA SER 113 14.871 -10.683 1.420 683 1HB SER 113 1HB SER 113 14.812 -8.328 2.312 684 2HB SER 113 2HB SER 113 13.353 -8.761 3.205 685 HG SER 113 HG SER 113 14.942 -9.147 4.637 686 H VAL 114 H VAL 114 14.300 -11.532 3.838 687 HA VAL 114 HA VAL 114 12.576 -13.699 3.350 688 HB VAL 114 HB VAL 114 12.900 -14.234 5.773 689 1HG1 VAL 114 1HG1 VAL 114 15.377 -13.575 4.190 690 2HG1 VAL 114 2HG1 VAL 114 14.443 -15.067 4.096 691 3HG1 VAL 114 3HG1 VAL 114 15.314 -14.662 5.577 692 1HG2 VAL 114 1HG2 VAL 114 13.045 -11.926 6.604 693 2HG2 VAL 114 2HG2 VAL 114 14.586 -11.731 5.767 694 3HG2 VAL 114 3HG2 VAL 114 14.442 -12.886 7.091 695 H ALA 115 H ALA 115 10.554 -14.141 3.940 696 HA ALA 115 HA ALA 115 9.059 -12.462 5.754 697 1HB ALA 115 1HB ALA 115 8.779 -11.265 3.627 698 2HB ALA 115 2HB ALA 115 7.261 -11.985 4.164 699 3HB ALA 115 3HB ALA 115 8.189 -12.746 2.871 700 H SER 116 H SER 116 8.635 -14.857 3.168 701 HA SER 116 HA SER 116 7.984 -17.030 3.168 702 1HB SER 116 1HB SER 116 8.372 -16.980 6.165 703 2HB SER 116 2HB SER 116 8.484 -18.371 5.086 704 HG SER 116 HG SER 116 10.409 -17.678 4.347 705 H VAL 117 H VAL 117 6.526 -18.529 5.002 706 HA VAL 117 HA VAL 117 4.459 -18.989 5.776 707 HB VAL 117 HB VAL 117 4.170 -16.009 6.156 708 1HG1 VAL 117 1HG1 VAL 117 2.018 -17.131 6.230 709 2HG1 VAL 117 2HG1 VAL 117 2.490 -16.629 7.854 710 3HG1 VAL 117 3HG1 VAL 117 2.648 -18.316 7.373 711 1HG2 VAL 117 1HG2 VAL 117 6.118 -16.859 7.336 712 2HG2 VAL 117 2HG2 VAL 117 5.141 -18.134 8.067 713 3HG2 VAL 117 3HG2 VAL 117 4.839 -16.446 8.479 714 H LEU 118 H LEU 118 3.625 -19.807 3.896 715 HA LEU 118 HA LEU 118 1.788 -18.002 2.465 716 1HB LEU 118 1HB LEU 118 3.302 -20.396 1.424 717 2HB LEU 118 2HB LEU 118 1.980 -19.642 0.557 718 HG LEU 118 HG LEU 118 4.573 -18.285 1.295 719 1HD1 LEU 118 1HD1 LEU 118 4.834 -20.006 -0.431 720 2HD1 LEU 118 2HD1 LEU 118 5.054 -18.383 -1.087 721 3HD1 LEU 118 3HD1 LEU 118 3.544 -19.251 -1.367 722 1HD2 LEU 118 1HD2 LEU 118 3.763 -16.482 -0.152 723 2HD2 LEU 118 2HD2 LEU 118 2.696 -16.733 1.232 724 3HD2 LEU 118 3HD2 LEU 118 2.236 -17.340 -0.360 725 H GLY 119 H GLY 119 2.344 -21.374 3.432 726 1HA GLY 119 1HA GLY 119 0.694 -22.530 4.764 727 2HA GLY 119 2HA GLY 119 -0.549 -21.570 3.973 728 H ASP 120 H ASP 120 1.968 -23.969 3.270 729 HA ASP 120 HA ASP 120 0.820 -24.763 0.796 730 1HB ASP 120 1HB ASP 120 2.809 -26.179 2.581 731 2HB ASP 120 2HB ASP 120 2.368 -26.709 0.962 732 H THR 121 H THR 121 -1.309 -25.310 1.054 733 HA THR 121 HA THR 121 -2.010 -27.388 2.935 734 HB THR 121 HB THR 121 -3.601 -25.552 2.491 735 HG1 THR 121 HG1 THR 121 -4.461 -27.485 3.213 736 1HG2 THR 121 1HG2 THR 121 -3.136 -25.220 0.098 737 2HG2 THR 121 2HG2 THR 121 -4.856 -25.449 0.414 738 3HG2 THR 121 3HG2 THR 121 -3.900 -26.771 -0.253 739 H LEU 122 H LEU 122 -2.097 -29.507 2.492 740 HA LEU 122 HA LEU 122 -0.809 -30.326 0.066 741 1HB LEU 122 1HB LEU 122 -1.858 -31.933 2.391 742 2HB LEU 122 2HB LEU 122 -0.886 -32.580 1.080 743 HG LEU 122 HG LEU 122 0.010 -30.438 3.014 744 1HD1 LEU 122 1HD1 LEU 122 1.493 -32.121 3.922 745 2HD1 LEU 122 2HD1 LEU 122 0.827 -33.327 2.818 746 3HD1 LEU 122 3HD1 LEU 122 -0.191 -32.626 4.078 747 1HD2 LEU 122 1HD2 LEU 122 1.526 -31.895 0.856 748 2HD2 LEU 122 2HD2 LEU 122 2.207 -30.743 2.003 749 3HD2 LEU 122 3HD2 LEU 122 1.029 -30.205 0.808 750 HA PRO 123 HA PRO 123 -4.529 -30.825 -2.151 751 1HB PRO 123 1HB PRO 123 -3.481 -31.786 -4.435 752 2HB PRO 123 2HB PRO 123 -3.252 -30.110 -3.923 753 1HG PRO 123 1HG PRO 123 -1.381 -32.431 -3.716 754 2HG PRO 123 2HG PRO 123 -1.034 -30.745 -4.139 755 1HD PRO 123 1HD PRO 123 -0.605 -31.829 -1.652 756 2HD PRO 123 2HD PRO 123 -0.886 -30.102 -1.952 757 H PHE 124 H PHE 124 -5.880 -32.353 -1.479 758 HA PHE 124 HA PHE 124 -5.417 -35.074 -2.495 759 1HB PHE 124 1HB PHE 124 -6.620 -34.316 0.181 760 2HB PHE 124 2HB PHE 124 -6.707 -35.931 -0.513 761 HD1 PHE 124 HD1 PHE 124 -4.752 -33.628 1.404 762 HD2 PHE 124 HD2 PHE 124 -4.546 -37.156 -0.965 763 HE1 PHE 124 HE1 PHE 124 -2.570 -34.169 2.402 764 HE2 PHE 124 HE2 PHE 124 -2.365 -37.703 0.030 765 HZ PHE 124 HZ PHE 124 -1.373 -36.209 1.716 766 H ALA 125 H ALA 125 -6.994 -35.755 -3.792 767 HA ALA 125 HA ALA 125 -9.391 -34.109 -4.045 768 1HB ALA 125 1HB ALA 125 -8.116 -34.606 -6.077 769 2HB ALA 125 2HB ALA 125 -9.737 -35.295 -6.157 770 3HB ALA 125 3HB ALA 125 -8.353 -36.331 -5.807
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