NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
525608 | 2l7f | 17147 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -1 1H GLY -1 -22.583 -3.364 14.590 2 H2 GLY -1 2H GLY -1 -22.293 -1.817 15.040 3 H3 GLY -1 3H GLY -1 -23.828 -2.392 15.027 4 HA2 GLY -1 2HA GLY -1 -23.016 -2.261 17.288 5 HA3 GLY -1 3HA GLY -1 -23.352 -3.933 16.803 6 H SER 0 H SER 0 -21.563 -3.005 18.880 7 HA SER 0 HA SER 0 -19.520 -3.274 19.776 8 HB2 SER 0 2HB SER 0 -19.976 -5.620 18.931 9 HB3 SER 0 3HB SER 0 -18.839 -5.272 17.614 10 HG SER 0 HG SER 0 -17.871 -6.264 19.493 11 H GLN 1 H GLN 1 -16.996 -3.495 19.127 12 HA GLN 1 HA GLN 1 -16.382 -0.875 17.967 13 HB2 GLN 1 2HB GLN 1 -14.591 -3.020 19.172 14 HB3 GLN 1 3HB GLN 1 -14.052 -1.420 18.644 15 HG2 GLN 1 2HG GLN 1 -15.594 -0.355 20.284 16 HG3 GLN 1 3HG GLN 1 -16.104 -1.950 20.843 17 HE21 GLN 1 1HE2 GLN 1 -13.291 0.285 20.684 18 HE22 GLN 1 2HE2 GLN 1 -12.425 -0.511 21.991 19 H ARG 2 H ARG 2 -15.332 -0.401 16.112 20 HA ARG 2 HA ARG 2 -15.169 -2.485 14.021 21 HB2 ARG 2 2HB ARG 2 -16.382 -0.344 13.739 22 HB3 ARG 2 3HB ARG 2 -14.871 0.547 13.847 23 HG2 ARG 2 2HG ARG 2 -15.102 -1.642 11.771 24 HG3 ARG 2 3HG ARG 2 -16.040 -0.168 11.531 25 HD2 ARG 2 2HD ARG 2 -14.044 1.220 11.624 26 HD3 ARG 2 3HD ARG 2 -13.027 -0.195 11.941 27 HE ARG 2 HE ARG 2 -14.518 -0.644 9.549 28 HH11 ARG 2 1HH1 ARG 2 -11.837 1.344 10.613 29 HH12 ARG 2 2HH1 ARG 2 -11.141 1.419 9.018 30 HH21 ARG 2 1HH2 ARG 2 -13.580 -0.506 7.541 31 HH22 ARG 2 2HH2 ARG 2 -12.110 0.397 7.327 32 H ARG 3 H ARG 3 -12.927 -0.852 16.058 33 HA ARG 3 HA ARG 3 -10.632 -0.710 14.403 34 HB2 ARG 3 2HB ARG 3 -10.960 0.462 16.572 35 HB3 ARG 3 3HB ARG 3 -10.755 -1.072 17.428 36 HG2 ARG 3 2HG ARG 3 -8.439 -1.258 16.549 37 HG3 ARG 3 3HG ARG 3 -8.665 0.239 15.624 38 HD2 ARG 3 2HD ARG 3 -9.043 1.484 17.734 39 HD3 ARG 3 3HD ARG 3 -8.810 0.006 18.667 40 HE ARG 3 HE ARG 3 -6.760 1.646 17.323 41 HH11 ARG 3 1HH2 ARG 3 -7.308 -1.435 18.911 42 HH12 ARG 3 2HH2 ARG 3 -5.609 -1.680 19.208 43 HH21 ARG 3 1HH1 ARG 3 -4.621 1.266 17.738 44 HH22 ARG 3 2HH1 ARG 3 -4.134 -0.187 18.559 45 H GLN 4 H GLN 4 -9.175 -2.076 13.717 46 HA GLN 4 HA GLN 4 -8.976 -4.892 14.675 47 HB2 GLN 4 2HB GLN 4 -9.734 -3.888 11.904 48 HB3 GLN 4 3HB GLN 4 -9.029 -5.485 12.142 49 HG2 GLN 4 2HG GLN 4 -10.871 -6.269 13.426 50 HG3 GLN 4 3HG GLN 4 -11.533 -4.653 13.645 51 HE21 GLN 4 1HE2 GLN 4 -12.669 -3.613 11.928 52 HE22 GLN 4 2HE2 GLN 4 -13.206 -4.541 10.522 53 H ARG 5 H ARG 5 -7.150 -6.027 13.625 54 HA ARG 5 HA ARG 5 -4.887 -4.277 12.773 55 HB2 ARG 5 2HB ARG 5 -3.316 -5.637 14.041 56 HB3 ARG 5 3HB ARG 5 -4.490 -4.853 15.095 57 HG2 ARG 5 2HG ARG 5 -5.764 -6.989 15.271 58 HG3 ARG 5 3HG ARG 5 -4.567 -7.793 14.247 59 HD2 ARG 5 2HD ARG 5 -3.953 -6.437 16.905 60 HD3 ARG 5 3HD ARG 5 -4.292 -8.166 16.717 61 HE ARG 5 HE ARG 5 -2.224 -7.696 14.929 62 HH11 ARG 5 1HH2 ARG 5 -2.559 -7.362 18.401 63 HH12 ARG 5 2HH2 ARG 5 -0.862 -7.641 18.683 64 HH21 ARG 5 1HH1 ARG 5 -0.066 -8.037 15.362 65 HH22 ARG 5 2HH1 ARG 5 0.502 -8.014 17.004 66 H THR 6 H THR 6 -3.464 -5.101 11.281 67 HA THR 6 HA THR 6 -4.177 -7.627 9.865 68 HB THR 6 HB THR 6 -4.019 -6.370 7.702 69 HG1 THR 6 1HG THR 6 -4.401 -4.107 7.866 70 HG21 THR 6 1HG2 THR 6 -6.260 -5.323 9.480 71 HG22 THR 6 2HG2 THR 6 -6.238 -6.929 8.717 72 HG23 THR 6 3HG2 THR 6 -6.259 -5.472 7.711 73 H HIS 7 H HIS 7 -2.629 -8.392 8.376 74 HA HIS 7 HA HIS 7 0.047 -7.149 8.323 75 HB2 HIS 7 2HB HIS 7 1.231 -9.131 8.800 76 HB3 HIS 7 3HB HIS 7 0.057 -8.960 10.097 77 HD2 HIS 7 2HD HIS 7 -2.024 -10.760 10.111 78 HE1 HIS 7 1HE HIS 7 -0.407 -13.379 7.153 79 HE2 HIS 7 2HE HIS 7 -2.216 -13.114 8.934 80 H PHE 8 H PHE 8 1.383 -8.178 6.521 81 HA PHE 8 HA PHE 8 -0.189 -7.700 4.180 82 HB2 PHE 8 2HB PHE 8 2.670 -8.646 4.152 83 HB3 PHE 8 3HB PHE 8 1.835 -7.599 3.010 84 HD1 PHE 8 1HD PHE 8 1.002 -5.276 3.960 85 HD2 PHE 8 2HD PHE 8 4.042 -7.710 5.811 86 HE1 PHE 8 1HE PHE 8 1.834 -3.292 5.212 87 HE2 PHE 8 2HE PHE 8 4.870 -5.728 7.055 88 HZ PHE 8 HZ PHE 8 3.763 -3.522 6.765 89 H THR 9 H THR 9 -1.381 -9.108 3.057 90 HA THR 9 HA THR 9 -0.859 -11.998 2.998 91 HB THR 9 HB THR 9 -2.740 -12.152 1.509 92 HG1 THR 9 1HG THR 9 -3.830 -10.168 0.953 93 HG21 THR 9 1HG2 THR 9 -3.436 -10.080 3.628 94 HG22 THR 9 2HG2 THR 9 -3.259 -11.823 3.923 95 HG23 THR 9 3HG2 THR 9 -4.533 -11.233 2.843 96 H SER 10 H SER 10 -0.601 -13.193 0.912 97 HA SER 10 HA SER 10 1.655 -12.414 -0.555 98 HB2 SER 10 2HB SER 10 -0.567 -14.272 -1.483 99 HB3 SER 10 3HB SER 10 1.112 -14.249 -2.058 100 HG SER 10 HG SER 10 0.765 -15.868 -0.461 101 H GLN 11 H GLN 11 -1.738 -11.599 -1.251 102 HA GLN 11 HA GLN 11 -1.038 -10.476 -3.884 103 HB2 GLN 11 2HB GLN 11 -3.352 -9.900 -4.111 104 HB3 GLN 11 3HB GLN 11 -3.135 -11.600 -3.701 105 HG2 GLN 11 2HG GLN 11 -3.787 -11.128 -1.357 106 HG3 GLN 11 3HG GLN 11 -3.989 -9.416 -1.751 107 HE21 GLN 11 1HE2 GLN 11 -6.206 -10.278 -0.689 108 HE22 GLN 11 2HE2 GLN 11 -7.404 -10.733 -1.891 109 H GLN 12 H GLN 12 -1.659 -9.189 -0.593 110 HA GLN 12 HA GLN 12 -1.532 -6.398 -1.346 111 HB2 GLN 12 2HB GLN 12 -0.955 -7.902 1.226 112 HB3 GLN 12 3HB GLN 12 -0.836 -6.145 1.103 113 HG2 GLN 12 2HG GLN 12 -3.169 -5.910 0.562 114 HG3 GLN 12 3HG GLN 12 -3.396 -7.645 0.412 115 HE21 GLN 12 1HE2 GLN 12 -4.855 -5.817 2.228 116 HE22 GLN 12 2HE2 GLN 12 -4.532 -6.471 3.834 117 H LEU 13 H LEU 13 0.989 -8.753 -0.331 118 HA LEU 13 HA LEU 13 3.221 -6.983 -0.420 119 HB2 LEU 13 2HB LEU 13 2.930 -9.977 -0.914 120 HB3 LEU 13 3HB LEU 13 4.493 -9.173 -0.903 121 HG LEU 13 HG LEU 13 2.588 -9.188 1.473 122 HD11 LEU 13 1HD1 LEU 13 3.431 -11.445 0.958 123 HD12 LEU 13 2HD1 LEU 13 4.139 -10.816 2.451 124 HD13 LEU 13 3HD1 LEU 13 5.100 -10.828 0.953 125 HD21 LEU 13 3HD2 LEU 13 5.481 -8.285 1.160 126 HD22 LEU 13 1HD2 LEU 13 4.654 -8.488 2.717 127 HD23 LEU 13 2HD2 LEU 13 4.068 -7.273 1.582 128 H GLN 14 H GLN 14 1.734 -8.891 -3.073 129 HA GLN 14 HA GLN 14 3.712 -8.030 -5.023 130 HB2 GLN 14 2HB GLN 14 1.042 -9.460 -5.210 131 HB3 GLN 14 3HB GLN 14 1.976 -8.999 -6.647 132 HG2 GLN 14 2HG GLN 14 3.920 -10.239 -5.883 133 HG3 GLN 14 3HG GLN 14 3.124 -10.648 -4.362 134 HE21 GLN 14 1HE2 GLN 14 1.250 -12.105 -4.433 135 HE22 GLN 14 2HE2 GLN 14 1.079 -13.230 -5.791 136 H GLU 15 H GLU 15 0.435 -6.823 -4.172 137 HA GLU 15 HA GLU 15 0.389 -4.786 -6.207 138 HB2 GLU 15 2HB GLU 15 -1.551 -5.647 -4.776 139 HB3 GLU 15 3HB GLU 15 -0.897 -4.682 -3.453 140 HG2 GLU 15 2HG GLU 15 -2.647 -3.416 -4.471 141 HG3 GLU 15 3HG GLU 15 -1.144 -2.631 -4.925 142 H LEU 16 H LEU 16 1.823 -4.894 -2.934 143 HA LEU 16 HA LEU 16 2.677 -2.110 -3.000 144 HB2 LEU 16 2HB LEU 16 3.206 -4.462 -1.188 145 HB3 LEU 16 3HB LEU 16 4.155 -2.991 -1.041 146 HG LEU 16 HG LEU 16 1.132 -2.819 -1.048 147 HD11 LEU 16 1HD1 LEU 16 1.199 -2.861 1.419 148 HD12 LEU 16 2HD1 LEU 16 2.927 -3.257 1.376 149 HD13 LEU 16 3HD1 LEU 16 1.734 -4.408 0.745 150 HD21 LEU 16 3HD2 LEU 16 1.557 -0.772 0.240 151 HD22 LEU 16 1HD2 LEU 16 2.420 -0.713 -1.302 152 HD23 LEU 16 2HD2 LEU 16 3.306 -1.077 0.192 153 H GLU 17 H GLU 17 4.295 -5.202 -3.887 154 HA GLU 17 HA GLU 17 6.783 -3.950 -4.593 155 HB2 GLU 17 2HB GLU 17 5.592 -6.590 -4.851 156 HB3 GLU 17 3HB GLU 17 6.294 -6.135 -6.391 157 HG2 GLU 17 2HG GLU 17 7.735 -6.077 -3.709 158 HG3 GLU 17 3HG GLU 17 7.881 -7.345 -4.925 159 H ALA 18 H ALA 18 3.835 -4.568 -6.601 160 HA ALA 18 HA ALA 18 4.812 -3.279 -8.951 161 HB1 ALA 18 1HB ALA 18 1.962 -3.519 -7.889 162 HB2 ALA 18 2HB ALA 18 2.428 -3.132 -9.559 163 HB3 ALA 18 3HB ALA 18 2.815 -4.725 -8.878 164 H THR 19 H THR 19 3.157 -1.918 -6.085 165 HA THR 19 HA THR 19 3.060 0.816 -6.931 166 HB THR 19 HB THR 19 3.303 -0.348 -4.132 167 HG1 THR 19 1HG THR 19 1.455 -1.027 -5.166 168 HG21 THR 19 1HG2 THR 19 2.312 1.686 -3.316 169 HG22 THR 19 2HG2 THR 19 2.280 2.393 -4.954 170 HG23 THR 19 3HG2 THR 19 3.827 2.082 -4.135 171 H PHE 20 H PHE 20 5.636 -0.951 -5.104 172 HA PHE 20 HA PHE 20 7.410 1.264 -4.868 173 HB2 PHE 20 2HB PHE 20 7.427 -0.840 -3.542 174 HB3 PHE 20 3HB PHE 20 8.031 -1.713 -4.938 175 HD1 PHE 20 2HD PHE 20 8.823 0.933 -2.434 176 HD2 PHE 20 1HD PHE 20 10.387 -1.659 -5.502 177 HE1 PHE 20 2HE PHE 20 11.134 1.494 -1.724 178 HE2 PHE 20 1HE PHE 20 12.702 -1.097 -4.790 179 HZ PHE 20 HZ PHE 20 13.078 0.472 -2.895 180 H GLN 21 H GLN 21 7.202 -1.280 -7.400 181 HA GLN 21 HA GLN 21 9.412 -0.385 -8.986 182 HB2 GLN 21 2HB GLN 21 6.857 -1.886 -9.674 183 HB3 GLN 21 3HB GLN 21 8.139 -1.570 -10.845 184 HG2 GLN 21 2HG GLN 21 9.755 -2.847 -9.539 185 HG3 GLN 21 3HG GLN 21 8.599 -3.082 -8.239 186 HE21 GLN 21 1HE2 GLN 21 8.651 -5.424 -8.400 187 HE22 GLN 21 2HE2 GLN 21 7.973 -6.227 -9.820 188 H ARG 22 H ARG 22 6.031 0.743 -8.871 189 HA ARG 22 HA ARG 22 6.316 2.605 -11.108 190 HB2 ARG 22 2HB ARG 22 4.172 1.557 -10.399 191 HB3 ARG 22 3HB ARG 22 4.226 2.477 -8.891 192 HG2 ARG 22 2HG ARG 22 4.170 4.602 -10.203 193 HG3 ARG 22 3HG ARG 22 4.087 3.665 -11.700 194 HD2 ARG 22 2HD ARG 22 2.050 3.600 -9.429 195 HD3 ARG 22 3HD ARG 22 1.863 4.521 -10.914 196 HE ARG 22 HE ARG 22 1.510 1.633 -10.539 197 HH11 ARG 22 1HH2 ARG 22 1.955 4.093 -13.000 198 HH12 ARG 22 2HH2 ARG 22 1.296 3.078 -14.255 199 HH21 ARG 22 1HH1 ARG 22 0.688 0.401 -12.186 200 HH22 ARG 22 2HH1 ARG 22 0.600 1.047 -13.798 201 H ASN 23 H ASN 23 6.350 2.974 -7.553 202 HA ASN 23 HA ASN 23 8.072 5.363 -7.745 203 HB2 ASN 23 2HB ASN 23 5.751 6.215 -7.974 204 HB3 ASN 23 3HB ASN 23 5.294 5.413 -6.472 205 HD21 ASN 23 1HD2 ASN 23 4.796 8.057 -6.700 206 HD22 ASN 23 2HD2 ASN 23 5.931 8.975 -5.726 207 H ARG 24 H ARG 24 9.677 4.917 -6.366 208 HA ARG 24 HA ARG 24 9.425 2.939 -4.250 209 HB2 ARG 24 2HB ARG 24 11.737 4.743 -5.075 210 HB3 ARG 24 3HB ARG 24 11.836 3.466 -3.853 211 HG2 ARG 24 2HG ARG 24 11.114 1.796 -5.572 212 HG3 ARG 24 3HG ARG 24 11.178 3.070 -6.803 213 HD2 ARG 24 2HD ARG 24 13.576 3.418 -6.322 214 HD3 ARG 24 3HD ARG 24 13.509 2.157 -5.071 215 HE ARG 24 HE ARG 24 12.540 1.070 -7.520 216 HH11 ARG 24 1HH1 ARG 24 15.604 2.089 -6.169 217 HH12 ARG 24 2HH1 ARG 24 16.519 1.013 -7.189 218 HH21 ARG 24 1HH2 ARG 24 13.766 -0.282 -8.793 219 HH22 ARG 24 2HH2 ARG 24 15.496 -0.300 -8.627 220 H TYR 25 H TYR 25 8.946 6.340 -4.213 221 HA TYR 25 HA TYR 25 8.588 6.299 -1.293 222 HB2 TYR 25 2HB TYR 25 9.986 8.415 -1.057 223 HB3 TYR 25 3HB TYR 25 10.808 6.883 -1.174 224 HD1 TYR 25 1HD TYR 25 12.198 6.277 -3.082 225 HD2 TYR 25 2HD TYR 25 10.242 10.116 -2.873 226 HE1 TYR 25 1HE TYR 25 13.644 7.120 -4.931 227 HE2 TYR 25 2HE TYR 25 11.687 10.955 -4.712 228 HH TYR 25 HH TYR 25 13.368 10.466 -6.190 229 HA PRO 26 HA PRO 26 5.434 8.724 -3.640 230 HB2 PRO 26 2HB PRO 26 3.498 7.278 -1.915 231 HB3 PRO 26 3HB PRO 26 3.494 7.516 -3.684 232 HG2 PRO 26 2HG PRO 26 4.097 5.099 -2.577 233 HG3 PRO 26 3HG PRO 26 4.946 5.699 -4.038 234 HD2 PRO 26 2HD PRO 26 5.873 5.821 -1.156 235 HD3 PRO 26 3HD PRO 26 6.764 5.293 -2.609 236 H ASP 27 H ASP 27 3.824 10.309 -2.892 237 HA ASP 27 HA ASP 27 4.532 11.728 -0.458 238 HB2 ASP 27 2HB ASP 27 3.656 12.855 -2.473 239 HB3 ASP 27 3HB ASP 27 2.143 11.960 -2.333 240 H MET 28 H MET 28 3.168 11.987 1.441 241 HA MET 28 HA MET 28 2.274 9.570 2.560 242 HB2 MET 28 2HB MET 28 1.723 12.466 3.327 243 HB3 MET 28 3HB MET 28 1.226 11.086 4.305 244 HG2 MET 28 2HG MET 28 3.236 11.933 5.217 245 HG3 MET 28 3HG MET 28 3.574 10.356 4.529 246 HE1 MET 28 3HE MET 28 6.450 10.894 2.195 247 HE2 MET 28 1HE MET 28 5.926 10.023 3.651 248 HE3 MET 28 2HE MET 28 4.906 10.018 2.196 249 H SER 29 H SER 29 0.312 12.021 0.810 250 HA SER 29 HA SER 29 -2.236 10.737 1.421 251 HB2 SER 29 2HB SER 29 -1.441 12.660 -0.795 252 HB3 SER 29 3HB SER 29 -3.095 12.126 -0.444 253 HG SER 29 HG SER 29 -2.559 14.140 0.570 254 H THR 30 H THR 30 0.181 10.380 -1.199 255 HA THR 30 HA THR 30 -1.390 8.574 -2.824 256 HB THR 30 HB THR 30 1.638 8.760 -2.637 257 HG1 THR 30 1HG THR 30 -0.157 10.222 -4.274 258 HG21 THR 30 1HG2 THR 30 1.556 8.119 -5.034 259 HG22 THR 30 2HG2 THR 30 -0.206 7.893 -4.906 260 HG23 THR 30 3HG2 THR 30 0.901 6.852 -3.986 261 H ARG 31 H ARG 31 1.081 8.046 -0.252 262 HA ARG 31 HA ARG 31 0.894 5.182 -0.195 263 HB2 ARG 31 2HB ARG 31 1.514 7.075 2.122 264 HB3 ARG 31 3HB ARG 31 1.755 5.326 2.118 265 HG2 ARG 31 2HG ARG 31 3.326 5.590 0.155 266 HG3 ARG 31 3HG ARG 31 3.137 7.340 0.326 267 HD2 ARG 31 2HD ARG 31 3.885 6.937 2.809 268 HD3 ARG 31 3HD ARG 31 4.501 5.396 2.178 269 HE ARG 31 HE ARG 31 5.215 7.866 0.695 270 HH11 ARG 31 1HH1 ARG 31 6.459 5.577 3.040 271 HH12 ARG 31 2HH1 ARG 31 8.088 6.169 2.847 272 HH21 ARG 31 1HH2 ARG 31 7.170 8.567 0.526 273 HH22 ARG 31 2HH2 ARG 31 8.494 7.869 1.444 274 H GLU 32 H GLU 32 -1.127 7.626 1.471 275 HA GLU 32 HA GLU 32 -2.712 5.670 2.857 276 HB2 GLU 32 2HB GLU 32 -2.528 8.055 3.517 277 HB3 GLU 32 3HB GLU 32 -3.416 8.526 2.062 278 HG2 GLU 32 2HG GLU 32 -5.391 7.236 2.864 279 HG3 GLU 32 3HG GLU 32 -4.486 6.751 4.300 280 H GLU 33 H GLU 33 -3.234 7.241 -0.366 281 HA GLU 33 HA GLU 33 -5.743 5.913 -0.871 282 HB2 GLU 33 2HB GLU 33 -3.597 7.019 -2.729 283 HB3 GLU 33 3HB GLU 33 -5.083 6.261 -3.315 284 HG2 GLU 33 2HG GLU 33 -6.448 7.882 -2.042 285 HG3 GLU 33 3HG GLU 33 -4.989 8.694 -1.483 286 H ILE 34 H ILE 34 -2.356 4.825 -1.696 287 HA ILE 34 HA ILE 34 -3.410 2.343 -2.736 288 HB ILE 34 HB ILE 34 -1.200 1.526 -2.937 289 HG12 ILE 34 2HG1 ILE 34 0.745 3.162 -2.411 290 HG13 ILE 34 3HG1 ILE 34 -0.349 3.858 -1.228 291 HG21 ILE 34 1HG2 ILE 34 -2.118 3.191 -4.565 292 HG22 ILE 34 2HG2 ILE 34 -1.234 4.468 -3.700 293 HG23 ILE 34 3HG2 ILE 34 -0.351 3.154 -4.495 294 HD11 ILE 34 3HD1 ILE 34 0.348 0.895 -1.280 295 HD12 ILE 34 1HD1 ILE 34 1.317 2.099 -0.418 296 HD13 ILE 34 2HD1 ILE 34 -0.361 1.828 0.064 297 H ALA 35 H ALA 35 -2.640 3.323 0.551 298 HA ALA 35 HA ALA 35 -2.785 0.695 1.713 299 HB1 ALA 35 1HB ALA 35 -1.905 2.745 2.877 300 HB2 ALA 35 2HB ALA 35 -3.573 3.337 3.005 301 HB3 ALA 35 3HB ALA 35 -3.099 1.832 3.801 302 H VAL 36 H VAL 36 -5.325 3.192 1.136 303 HA VAL 36 HA VAL 36 -7.588 1.662 1.959 304 HB VAL 36 HB VAL 36 -7.247 3.878 -0.093 305 HG11 VAL 36 1HG1 VAL 36 -9.876 2.702 0.880 306 HG12 VAL 36 2HG1 VAL 36 -9.672 4.205 -0.054 307 HG13 VAL 36 3HG1 VAL 36 -9.258 2.660 -0.787 308 HG21 VAL 36 3HG2 VAL 36 -8.544 3.848 2.657 309 HG22 VAL 36 1HG2 VAL 36 -6.913 4.452 2.314 310 HG23 VAL 36 2HG2 VAL 36 -8.311 5.257 1.595 311 H TRP 37 H TRP 37 -5.992 1.827 -1.271 312 HA TRP 37 HA TRP 37 -7.799 0.011 -2.542 313 HB2 TRP 37 2HB TRP 37 -4.930 0.690 -3.218 314 HB3 TRP 37 3HB TRP 37 -6.067 -0.098 -4.297 315 HD1 TRP 37 1HD TRP 37 -8.100 2.477 -2.836 316 HE1 TRP 37 1HE TRP 37 -8.115 4.657 -4.186 317 HE3 TRP 37 3HE TRP 37 -4.013 1.610 -5.791 318 HZ2 TRP 37 2HZ TRP 37 -6.496 5.913 -6.218 319 HZ3 TRP 37 3HZ TRP 37 -3.247 3.338 -7.406 320 HH2 TRP 37 2HH TRP 37 -4.473 5.489 -7.625 321 H THR 38 H THR 38 -4.837 -0.643 -0.690 322 HA THR 38 HA THR 38 -5.005 -3.556 -1.214 323 HB THR 38 HB THR 38 -3.052 -3.682 0.357 324 HG1 THR 38 1HG THR 38 -2.925 -0.894 0.018 325 HG21 THR 38 1HG2 THR 38 -1.419 -2.729 -1.208 326 HG22 THR 38 2HG2 THR 38 -2.720 -1.862 -2.060 327 HG23 THR 38 3HG2 THR 38 -2.688 -3.638 -2.047 328 H ASN 39 H ASN 39 -6.604 -1.493 0.855 329 HA ASN 39 HA ASN 39 -7.680 -1.586 2.778 330 HB2 ASN 39 2HB ASN 39 -7.827 -4.590 2.297 331 HB3 ASN 39 3HB ASN 39 -8.768 -3.707 3.488 332 HD21 ASN 39 1HD2 ASN 39 -8.398 -4.325 0.030 333 HD22 ASN 39 2HD2 ASN 39 -9.910 -3.550 -0.416 334 H LEU 40 H LEU 40 -5.041 -1.292 3.010 335 HA LEU 40 HA LEU 40 -4.352 -2.447 5.689 336 HB2 LEU 40 2HB LEU 40 -2.618 -1.231 3.499 337 HB3 LEU 40 3HB LEU 40 -2.021 -1.647 5.099 338 HG LEU 40 HG LEU 40 -3.173 -3.662 3.115 339 HD11 LEU 40 1HD1 LEU 40 -1.061 -2.664 2.345 340 HD12 LEU 40 2HD1 LEU 40 -0.851 -4.358 2.803 341 HD13 LEU 40 3HD1 LEU 40 -0.293 -3.064 3.896 342 HD21 LEU 40 3HD2 LEU 40 -1.759 -3.982 5.804 343 HD22 LEU 40 1HD2 LEU 40 -2.069 -5.308 4.667 344 HD23 LEU 40 2HD2 LEU 40 -3.428 -4.460 5.405 345 H THR 41 H THR 41 -3.032 -0.771 7.007 346 HA THR 41 HA THR 41 -4.374 1.888 6.912 347 HB THR 41 HB THR 41 -3.454 2.374 9.034 348 HG1 THR 41 1HG THR 41 -2.131 0.919 10.113 349 HG21 THR 41 1HG2 THR 41 -5.474 0.900 9.038 350 HG22 THR 41 2HG2 THR 41 -4.452 0.702 10.472 351 HG23 THR 41 3HG2 THR 41 -4.409 -0.517 9.178 352 H GLU 42 H GLU 42 -3.119 3.844 6.815 353 HA GLU 42 HA GLU 42 -0.885 3.734 5.026 354 HB2 GLU 42 2HB GLU 42 -0.702 6.106 5.327 355 HB3 GLU 42 3HB GLU 42 -2.372 5.607 5.110 356 HG2 GLU 42 2HG GLU 42 -2.728 7.092 6.775 357 HG3 GLU 42 3HG GLU 42 -2.419 5.696 7.793 358 H ALA 43 H ALA 43 -0.996 3.530 8.524 359 HA ALA 43 HA ALA 43 1.817 4.037 8.928 360 HB1 ALA 43 1HB ALA 43 1.368 3.170 11.197 361 HB2 ALA 43 2HB ALA 43 0.142 4.355 10.704 362 HB3 ALA 43 3HB ALA 43 -0.240 2.617 10.681 363 H ARG 44 H ARG 44 -0.130 1.016 8.555 364 HA ARG 44 HA ARG 44 2.124 -0.802 8.767 365 HB2 ARG 44 2HB ARG 44 -0.637 -1.076 7.530 366 HB3 ARG 44 3HB ARG 44 0.524 -2.410 7.628 367 HG2 ARG 44 2HG ARG 44 0.546 -2.368 10.040 368 HG3 ARG 44 3HG ARG 44 -0.321 -0.836 10.091 369 HD2 ARG 44 2HD ARG 44 -2.230 -2.088 8.865 370 HD3 ARG 44 3HD ARG 44 -1.421 -3.568 9.380 371 HE ARG 44 HE ARG 44 -2.820 -1.551 11.029 372 HH11 ARG 44 1HH1 ARG 44 -0.966 -4.525 11.208 373 HH12 ARG 44 2HH1 ARG 44 -0.966 -4.513 12.952 374 HH21 ARG 44 1HH2 ARG 44 -2.939 -1.710 13.230 375 HH22 ARG 44 2HH2 ARG 44 -2.156 -3.022 14.054 376 H VAL 45 H VAL 45 0.628 0.872 6.011 377 HA VAL 45 HA VAL 45 2.422 -0.172 4.002 378 HB VAL 45 HB VAL 45 0.654 2.272 4.195 379 HG11 VAL 45 1HG1 VAL 45 2.360 1.522 1.798 380 HG12 VAL 45 2HG1 VAL 45 1.058 2.742 1.839 381 HG13 VAL 45 3HG1 VAL 45 2.517 3.007 2.776 382 HG21 VAL 45 3HG2 VAL 45 -0.447 0.110 3.861 383 HG22 VAL 45 1HG2 VAL 45 -0.516 1.025 2.348 384 HG23 VAL 45 2HG2 VAL 45 0.652 -0.287 2.523 385 H ARG 46 H ARG 46 2.730 2.806 6.074 386 HA ARG 46 HA ARG 46 5.245 3.588 4.976 387 HB2 ARG 46 2HB ARG 46 3.729 4.961 6.382 388 HB3 ARG 46 3HB ARG 46 4.190 4.013 7.804 389 HG2 ARG 46 2HG ARG 46 6.546 4.752 7.529 390 HG3 ARG 46 3HG ARG 46 6.101 5.668 6.081 391 HD2 ARG 46 2HD ARG 46 5.028 6.144 8.895 392 HD3 ARG 46 3HD ARG 46 6.301 7.080 8.120 393 HE ARG 46 HE ARG 46 4.730 7.971 6.531 394 HH11 ARG 46 1HH2 ARG 46 3.095 6.251 9.128 395 HH12 ARG 46 2HH2 ARG 46 1.523 6.869 8.645 396 HH21 ARG 46 1HH1 ARG 46 2.718 8.807 6.098 397 HH22 ARG 46 2HH1 ARG 46 1.340 8.293 7.045 398 H VAL 47 H VAL 47 4.545 1.353 7.678 399 HA VAL 47 HA VAL 47 7.285 0.654 8.228 400 HB VAL 47 HB VAL 47 4.704 -0.896 8.629 401 HG11 VAL 47 1HG1 VAL 47 6.490 -2.574 8.488 402 HG12 VAL 47 2HG1 VAL 47 7.520 -1.610 9.569 403 HG13 VAL 47 3HG1 VAL 47 6.023 -2.352 10.173 404 HG21 VAL 47 3HG2 VAL 47 5.029 1.165 10.017 405 HG22 VAL 47 1HG2 VAL 47 5.058 -0.311 10.988 406 HG23 VAL 47 2HG2 VAL 47 6.578 0.517 10.583 407 H TRP 48 H TRP 48 4.954 -0.709 5.806 408 HA TRP 48 HA TRP 48 6.752 -2.684 4.827 409 HB2 TRP 48 2HB TRP 48 4.308 -2.532 4.282 410 HB3 TRP 48 3HB TRP 48 4.675 -1.211 3.174 411 HD1 TRP 48 1HD TRP 48 4.945 -4.965 3.548 412 HE1 TRP 48 1HE TRP 48 5.811 -6.034 1.380 413 HE3 TRP 48 3HE TRP 48 6.111 -0.704 0.944 414 HZ2 TRP 48 2HZ TRP 48 6.917 -5.161 -1.143 415 HZ3 TRP 48 3HZ TRP 48 7.099 -0.854 -1.315 416 HH2 TRP 48 2HH TRP 48 7.511 -3.069 -2.374 417 H PHE 49 H PHE 49 6.343 0.734 3.676 418 HA PHE 49 HA PHE 49 8.414 0.576 1.705 419 HB2 PHE 49 2HB PHE 49 7.149 2.866 3.223 420 HB3 PHE 49 3HB PHE 49 8.552 3.143 2.205 421 HD1 PHE 49 1HD PHE 49 8.513 2.507 -0.249 422 HD2 PHE 49 2HD PHE 49 4.962 2.689 2.186 423 HE1 PHE 49 1HE PHE 49 7.108 2.635 -2.297 424 HE2 PHE 49 2HE PHE 49 3.565 2.785 0.142 425 HZ PHE 49 HZ PHE 49 4.636 2.757 -2.099 426 H LYS 50 H LYS 50 8.650 1.463 5.183 427 HA LYS 50 HA LYS 50 11.476 1.963 5.189 428 HB2 LYS 50 2HB LYS 50 9.868 2.608 6.980 429 HB3 LYS 50 3HB LYS 50 9.702 0.906 7.438 430 HG2 LYS 50 2HG LYS 50 12.115 0.816 8.006 431 HG3 LYS 50 3HG LYS 50 12.308 2.500 7.479 432 HD2 LYS 50 2HD LYS 50 10.722 3.232 9.245 433 HD3 LYS 50 3HD LYS 50 10.526 1.543 9.767 434 HE2 LYS 50 2HE LYS 50 12.957 1.416 10.263 435 HE3 LYS 50 3HE LYS 50 13.158 3.092 9.735 436 HZ1 LYS 50 3HZ LYS 50 11.491 2.224 12.040 437 HZ2 LYS 50 1HZ LYS 50 11.677 3.773 11.548 438 HZ3 LYS 50 2HZ LYS 50 12.949 2.947 12.149 439 H ASN 51 H ASN 51 9.669 -1.070 5.761 440 HA ASN 51 HA ASN 51 11.937 -2.745 6.208 441 HB2 ASN 51 2HB ASN 51 9.499 -3.199 6.752 442 HB3 ASN 51 3HB ASN 51 9.217 -3.509 5.042 443 HD21 ASN 51 1HD2 ASN 51 10.491 -4.764 8.026 444 HD22 ASN 51 2HD2 ASN 51 10.938 -6.338 7.386 445 H ARG 52 H ARG 52 10.138 -2.025 3.179 446 HA ARG 52 HA ARG 52 11.700 -3.647 1.446 447 HB2 ARG 52 2HB ARG 52 9.436 -2.703 0.953 448 HB3 ARG 52 3HB ARG 52 10.133 -1.088 0.861 449 HG2 ARG 52 2HG ARG 52 9.774 -1.939 -1.367 450 HG3 ARG 52 3HG ARG 52 11.508 -1.804 -1.093 451 HD2 ARG 52 2HD ARG 52 11.580 -4.278 -0.603 452 HD3 ARG 52 3HD ARG 52 9.844 -4.354 -0.912 453 HE ARG 52 HE ARG 52 10.225 -4.192 -3.216 454 HH11 ARG 52 1HH1 ARG 52 13.304 -3.459 -1.664 455 HH12 ARG 52 2HH1 ARG 52 14.159 -3.667 -3.172 456 HH21 ARG 52 1HH2 ARG 52 11.266 -4.373 -4.942 457 HH22 ARG 52 2HH2 ARG 52 13.020 -4.175 -5.060 458 H ARG 53 H ARG 53 12.142 -0.238 2.383 459 HA ARG 53 HA ARG 53 14.510 0.224 0.797 460 HB2 ARG 53 2HB ARG 53 13.030 1.991 1.751 461 HB3 ARG 53 3HB ARG 53 13.618 1.592 3.373 462 HG2 ARG 53 2HG ARG 53 15.927 2.214 2.682 463 HG3 ARG 53 3HG ARG 53 15.343 2.556 1.040 464 HD2 ARG 53 2HD ARG 53 13.856 4.321 1.947 465 HD3 ARG 53 3HD ARG 53 14.445 3.970 3.586 466 HE ARG 53 HE ARG 53 16.670 4.530 1.873 467 HH11 ARG 53 1HH1 ARG 53 14.049 6.279 3.405 468 HH12 ARG 53 2HH1 ARG 53 14.949 7.771 3.449 469 HH21 ARG 53 1HH2 ARG 53 17.761 6.467 1.962 470 HH22 ARG 53 2HH2 ARG 53 16.992 7.866 2.649 471 H ALA 54 H ALA 54 14.119 -0.904 4.198 472 HA ALA 54 HA ALA 54 16.910 -1.163 4.731 473 HB1 ALA 54 1HB ALA 54 14.564 -2.753 5.861 474 HB2 ALA 54 2HB ALA 54 16.188 -2.631 6.564 475 HB3 ALA 54 3HB ALA 54 15.158 -1.191 6.465 476 H LYS 55 H LYS 55 14.601 -3.568 3.367 477 HA LYS 55 HA LYS 55 16.498 -5.673 2.925 478 HB2 LYS 55 2HB LYS 55 13.814 -4.964 1.683 479 HB3 LYS 55 3HB LYS 55 14.753 -6.356 1.148 480 HG2 LYS 55 2HG LYS 55 14.807 -7.226 3.487 481 HG3 LYS 55 3HG LYS 55 13.782 -5.881 4.006 482 HD2 LYS 55 2HD LYS 55 11.979 -6.641 2.503 483 HD3 LYS 55 3HD LYS 55 13.032 -7.923 1.871 484 HE2 LYS 55 2HE LYS 55 13.226 -8.813 4.244 485 HE3 LYS 55 3HE LYS 55 11.978 -7.651 4.715 486 HZ1 LYS 55 3HZ LYS 55 11.674 -9.800 2.681 487 HZ2 LYS 55 1HZ LYS 55 10.493 -8.727 3.091 488 HZ3 LYS 55 2HZ LYS 55 11.021 -9.823 4.184 489 H TRP 56 H TRP 56 15.669 -2.903 0.850 490 HA TRP 56 HA TRP 56 17.397 -3.664 -1.346 491 HB2 TRP 56 2HB TRP 56 15.670 -2.078 -1.743 492 HB3 TRP 56 3HB TRP 56 16.160 -1.071 -0.395 493 HD1 TRP 56 1HD TRP 56 17.352 -2.016 -3.922 494 HE1 TRP 56 1HE TRP 56 18.837 -0.132 -4.845 495 HE3 TRP 56 3HE TRP 56 17.578 0.949 0.249 496 HZ2 TRP 56 2HZ TRP 56 19.982 2.342 -3.890 497 HZ3 TRP 56 3HZ TRP 56 18.904 3.053 0.224 498 HH2 TRP 56 2HH TRP 56 20.102 3.759 -1.834 499 H ARG 57 H ARG 57 17.941 -1.650 1.556 500 HA ARG 57 HA ARG 57 20.608 -0.863 0.813 501 HB2 ARG 57 2HB ARG 57 19.002 0.436 2.209 502 HB3 ARG 57 3HB ARG 57 19.217 -0.729 3.522 503 HG2 ARG 57 2HG ARG 57 21.610 -0.119 3.684 504 HG3 ARG 57 3HG ARG 57 21.441 0.965 2.287 505 HD2 ARG 57 2HD ARG 57 19.799 2.327 3.542 506 HD3 ARG 57 3HD ARG 57 19.951 1.262 4.938 507 HE ARG 57 HE ARG 57 21.877 3.286 3.979 508 HH11 ARG 57 1HH1 ARG 57 21.466 0.621 6.225 509 HH12 ARG 57 2HH1 ARG 57 22.818 1.126 7.200 510 HH21 ARG 57 1HH2 ARG 57 23.579 3.864 5.269 511 HH22 ARG 57 2HH2 ARG 57 23.977 2.912 6.668 512 H LYS 58 H LYS 58 19.467 -3.462 2.966 513 HA LYS 58 HA LYS 58 22.031 -3.926 4.160 514 HB2 LYS 58 2HB LYS 58 21.030 -5.709 5.341 515 HB3 LYS 58 3HB LYS 58 19.850 -4.408 5.219 516 HG2 LYS 58 2HG LYS 58 18.868 -5.698 3.201 517 HG3 LYS 58 3HG LYS 58 19.885 -7.049 3.694 518 HD2 LYS 58 2HD LYS 58 17.747 -5.689 5.386 519 HD3 LYS 58 3HD LYS 58 17.588 -7.251 4.567 520 HE2 LYS 58 2HE LYS 58 19.420 -8.178 5.972 521 HE3 LYS 58 3HE LYS 58 19.580 -6.620 6.794 522 HZ1 LYS 58 3HZ LYS 58 18.201 -8.145 8.073 523 HZ2 LYS 58 1HZ LYS 58 17.143 -8.323 6.845 524 HZ3 LYS 58 2HZ LYS 58 17.296 -6.877 7.597 525 H ARG 59 H ARG 59 23.318 -5.806 4.161 526 HA ARG 59 HA ARG 59 24.146 -6.626 1.522 527 HB2 ARG 59 2HB ARG 59 26.078 -7.337 2.491 528 HB3 ARG 59 3HB ARG 59 25.569 -6.143 3.667 529 HG2 ARG 59 2HG ARG 59 25.334 -9.177 3.882 530 HG3 ARG 59 3HG ARG 59 26.478 -8.163 4.732 531 HD2 ARG 59 2HD ARG 59 24.862 -7.334 6.237 532 HD3 ARG 59 3HD ARG 59 23.517 -7.723 5.171 533 HE ARG 59 HE ARG 59 23.510 -9.957 5.811 534 HH11 ARG 59 1HH2 ARG 59 26.235 -8.463 7.469 535 HH12 ARG 59 2HH2 ARG 59 26.419 -9.854 8.504 536 HH21 ARG 59 1HH1 ARG 59 23.774 -11.545 7.030 537 HH22 ARG 59 2HH1 ARG 59 25.029 -11.620 8.274 538 H GLU 60 H GLU 60 21.804 -8.016 3.464 539 HA GLU 60 HA GLU 60 22.424 -10.790 3.260 540 HB2 GLU 60 2HB GLU 60 20.918 -9.446 4.929 541 HB3 GLU 60 3HB GLU 60 19.666 -9.638 3.720 542 HG2 GLU 60 2HG GLU 60 19.327 -11.345 5.300 543 HG3 GLU 60 3HG GLU 60 20.014 -12.165 3.908 544 H GLU 61 H GLU 61 21.221 -12.486 2.189 545 HA GLU 61 HA GLU 61 20.397 -11.757 -0.581 546 HB2 GLU 61 2HB GLU 61 21.233 -13.950 -1.244 547 HB3 GLU 61 3HB GLU 61 22.478 -12.932 -0.523 548 HG2 GLU 61 2HG GLU 61 22.228 -14.192 1.637 549 HG3 GLU 61 3HG GLU 61 21.027 -15.228 0.868 550 H PHE 62 H PHE 62 18.779 -12.902 -1.645 551 HA PHE 62 HA PHE 62 16.665 -13.602 -1.901 552 HB2 PHE 62 2HB PHE 62 17.549 -15.784 -0.002 553 HB3 PHE 62 3HB PHE 62 16.198 -15.873 -1.122 554 HD1 PHE 62 1HD PHE 62 16.676 -15.518 -3.655 555 HD2 PHE 62 2HD PHE 62 19.711 -16.477 -0.744 556 HE1 PHE 62 1HE PHE 62 18.166 -16.325 -5.472 557 HE2 PHE 62 2HE PHE 62 21.198 -17.281 -2.562 558 HZ PHE 62 HZ PHE 62 20.429 -17.207 -4.928 559 H ILE 63 H ILE 63 16.904 -11.629 0.267 560 HA ILE 63 HA ILE 63 14.816 -12.235 2.176 561 HB ILE 63 HB ILE 63 15.072 -10.037 3.009 562 HG12 ILE 63 2HG1 ILE 63 15.230 -8.619 1.111 563 HG13 ILE 63 3HG1 ILE 63 16.616 -8.361 2.149 564 HG21 ILE 63 1HG2 ILE 63 17.354 -10.100 3.733 565 HG22 ILE 63 2HG2 ILE 63 16.731 -11.752 3.618 566 HG23 ILE 63 3HG2 ILE 63 17.830 -11.136 2.373 567 HD11 ILE 63 3HD1 ILE 63 17.349 -8.225 -0.119 568 HD12 ILE 63 1HD1 ILE 63 17.996 -9.741 0.528 569 HD13 ILE 63 2HD1 ILE 63 16.579 -9.752 -0.555 570 H VAL 64 H VAL 64 14.541 -11.381 -1.052 571 HA VAL 64 HA VAL 64 11.644 -10.802 -0.690 572 HB VAL 64 HB VAL 64 13.393 -9.468 -2.799 573 HG11 VAL 64 1HG1 VAL 64 10.410 -9.202 -2.197 574 HG12 VAL 64 2HG1 VAL 64 11.323 -8.201 -3.346 575 HG13 VAL 64 3HG1 VAL 64 11.128 -9.922 -3.657 576 HG21 VAL 64 3HG2 VAL 64 12.745 -7.340 -1.681 577 HG22 VAL 64 1HG2 VAL 64 11.972 -8.272 -0.379 578 HG23 VAL 64 2HG2 VAL 64 13.731 -8.363 -0.640 579 H THR 65 H THR 65 10.372 -12.137 -1.870 580 HA THR 65 HA THR 65 11.538 -14.416 -3.181 581 HB THR 65 HB THR 65 8.619 -13.570 -3.163 582 HG1 THR 65 1HG THR 65 8.505 -14.801 -1.276 583 HG21 THR 65 1HG2 THR 65 9.044 -15.484 -4.652 584 HG22 THR 65 2HG2 THR 65 8.215 -16.033 -3.194 585 HG23 THR 65 3HG2 THR 65 9.963 -16.308 -3.370 586 H ASP 66 H ASP 66 11.705 -14.968 -5.298 587 HA ASP 66 HA ASP 66 10.490 -13.350 -7.454 588 HB2 ASP 66 2HB ASP 66 12.676 -12.298 -7.061 589 HB3 ASP 66 3HB ASP 66 13.480 -13.856 -7.211 Start of MODEL 2 1 H1 GLY -1 1H GLY -1 8.513 -28.794 15.023 2 H2 GLY -1 2H GLY -1 7.043 -28.994 15.722 3 H3 GLY -1 3H GLY -1 8.329 -28.551 16.633 4 HA2 GLY -1 2HA GLY -1 8.492 -26.437 15.501 5 HA3 GLY -1 3HA GLY -1 7.112 -26.918 14.499 6 H SER 0 H SER 0 7.168 -24.567 16.063 7 HA SER 0 HA SER 0 5.889 -24.829 18.602 8 HB2 SER 0 2HB SER 0 5.882 -22.465 16.689 9 HB3 SER 0 3HB SER 0 5.498 -22.421 18.421 10 HG SER 0 HG SER 0 7.683 -21.823 17.987 11 H GLN 1 H GLN 1 3.767 -24.465 19.275 12 HA GLN 1 HA GLN 1 1.736 -25.474 17.467 13 HB2 GLN 1 2HB GLN 1 0.324 -25.590 19.412 14 HB3 GLN 1 3HB GLN 1 1.919 -26.242 19.771 15 HG2 GLN 1 2HG GLN 1 2.520 -24.139 20.964 16 HG3 GLN 1 3HG GLN 1 0.941 -23.455 20.566 17 HE21 GLN 1 1HE2 GLN 1 2.521 -26.142 22.397 18 HE22 GLN 1 2HE2 GLN 1 1.186 -26.311 23.528 19 H ARG 2 H ARG 2 2.696 -22.278 18.134 20 HA ARG 2 HA ARG 2 0.092 -20.993 17.855 21 HB2 ARG 2 2HB ARG 2 1.299 -18.903 17.936 22 HB3 ARG 2 3HB ARG 2 1.863 -19.985 19.204 23 HG2 ARG 2 2HG ARG 2 3.894 -20.519 17.840 24 HG3 ARG 2 3HG ARG 2 3.293 -19.472 16.551 25 HD2 ARG 2 2HD ARG 2 4.944 -18.260 17.774 26 HD3 ARG 2 3HD ARG 2 3.364 -17.530 18.102 27 HE ARG 2 HE ARG 2 3.929 -19.469 20.129 28 HH11 ARG 2 2HH1 ARG 2 5.098 -16.310 19.168 29 HH12 ARG 2 1HH1 ARG 2 5.619 -15.911 20.783 30 HH21 ARG 2 1HH2 ARG 2 4.609 -18.894 22.167 31 HH22 ARG 2 2HH2 ARG 2 5.347 -17.342 22.429 32 H ARG 3 H ARG 3 -0.501 -19.488 16.230 33 HA ARG 3 HA ARG 3 -0.038 -20.397 13.484 34 HB2 ARG 3 2HB ARG 3 -1.706 -18.748 12.845 35 HB3 ARG 3 3HB ARG 3 -2.249 -19.774 14.152 36 HG2 ARG 3 2HG ARG 3 -3.070 -17.625 14.607 37 HG3 ARG 3 3HG ARG 3 -1.781 -17.890 15.782 38 HD2 ARG 3 2HD ARG 3 -0.278 -16.438 14.524 39 HD3 ARG 3 3HD ARG 3 -1.436 -16.348 13.177 40 HE ARG 3 HE ARG 3 -2.662 -15.408 15.592 41 HH11 ARG 3 1HH1 ARG 3 -0.285 -14.363 13.230 42 HH12 ARG 3 2HH1 ARG 3 -0.616 -12.670 13.521 43 HH21 ARG 3 1HH2 ARG 3 -3.019 -13.236 15.917 44 HH22 ARG 3 2HH2 ARG 3 -2.114 -12.059 15.013 45 H GLN 4 H GLN 4 0.376 -18.744 11.728 46 HA GLN 4 HA GLN 4 3.072 -17.836 12.039 47 HB2 GLN 4 2HB GLN 4 1.012 -17.359 9.851 48 HB3 GLN 4 3HB GLN 4 2.684 -16.825 9.731 49 HG2 GLN 4 2HG GLN 4 1.834 -19.734 10.099 50 HG3 GLN 4 3HG GLN 4 2.217 -18.981 8.559 51 HE21 GLN 4 1HE2 GLN 4 3.669 -21.181 9.079 52 HE22 GLN 4 2HE2 GLN 4 5.301 -20.739 9.565 53 H ARG 5 H ARG 5 4.011 -15.843 12.105 54 HA ARG 5 HA ARG 5 2.579 -13.818 13.625 55 HB2 ARG 5 2HB ARG 5 4.933 -14.598 14.004 56 HB3 ARG 5 3HB ARG 5 5.410 -13.799 12.499 57 HG2 ARG 5 2HG ARG 5 4.778 -11.602 13.458 58 HG3 ARG 5 3HG ARG 5 4.163 -12.401 14.912 59 HD2 ARG 5 2HD ARG 5 6.358 -11.482 15.385 60 HD3 ARG 5 3HD ARG 5 6.437 -13.237 15.421 61 HE ARG 5 HE ARG 5 7.861 -13.237 13.590 62 HH11 ARG 5 1HH1 ARG 5 6.592 -9.978 13.866 63 HH12 ARG 5 2HH1 ARG 5 7.699 -9.354 12.674 64 HH21 ARG 5 1HH2 ARG 5 9.229 -12.375 12.079 65 HH22 ARG 5 2HH2 ARG 5 9.149 -10.681 11.694 66 H THR 6 H THR 6 3.277 -14.149 10.237 67 HA THR 6 HA THR 6 3.396 -11.400 9.487 68 HB THR 6 HB THR 6 2.840 -12.327 7.167 69 HG1 THR 6 1HG THR 6 1.756 -14.208 7.809 70 HG21 THR 6 1HG2 THR 6 5.159 -12.000 7.954 71 HG22 THR 6 2HG2 THR 6 5.010 -13.441 6.935 72 HG23 THR 6 3HG2 THR 6 5.144 -13.615 8.699 73 H HIS 7 H HIS 7 1.963 -9.960 8.716 74 HA HIS 7 HA HIS 7 -0.948 -10.493 9.149 75 HB2 HIS 7 2HB HIS 7 -0.068 -8.712 10.492 76 HB3 HIS 7 3HB HIS 7 0.722 -7.962 9.104 77 HD2 HIS 7 2HD HIS 7 -2.885 -8.642 10.432 78 HE1 HIS 7 1HE HIS 7 -3.105 -5.412 7.655 79 HE2 HIS 7 2HE HIS 7 -4.429 -6.815 9.323 80 H PHE 8 H PHE 8 1.172 -8.821 6.768 81 HA PHE 8 HA PHE 8 -0.788 -8.328 4.832 82 HB2 PHE 8 2HB PHE 8 2.109 -8.964 4.215 83 HB3 PHE 8 3HB PHE 8 1.017 -7.932 3.308 84 HD1 PHE 8 1HD PHE 8 0.258 -5.716 4.367 85 HD2 PHE 8 2HD PHE 8 3.523 -8.068 5.906 86 HE1 PHE 8 1HE PHE 8 1.152 -3.712 5.541 87 HE2 PHE 8 2HE PHE 8 4.404 -6.071 7.089 88 HZ PHE 8 HZ PHE 8 3.222 -3.890 6.904 89 H THR 9 H THR 9 -1.500 -9.366 2.972 90 HA THR 9 HA THR 9 -0.702 -12.228 2.561 91 HB THR 9 HB THR 9 -3.094 -11.858 3.048 92 HG1 THR 9 1HG THR 9 -3.701 -13.286 1.462 93 HG21 THR 9 1HG2 THR 9 -4.577 -11.104 1.232 94 HG22 THR 9 2HG2 THR 9 -3.177 -10.588 0.270 95 HG23 THR 9 3HG2 THR 9 -3.559 -9.788 1.813 96 H SER 10 H SER 10 -0.761 -12.957 0.237 97 HA SER 10 HA SER 10 1.456 -11.742 -1.017 98 HB2 SER 10 2HB SER 10 1.010 -13.318 -2.872 99 HB3 SER 10 3HB SER 10 0.952 -14.089 -1.275 100 HG SER 10 HG SER 10 -0.813 -14.728 -2.602 101 H GLN 11 H GLN 11 -2.003 -11.351 -1.823 102 HA GLN 11 HA GLN 11 -1.590 -9.827 -4.223 103 HB2 GLN 11 2HB GLN 11 -3.940 -9.888 -2.282 104 HB3 GLN 11 3HB GLN 11 -3.956 -9.116 -3.875 105 HG2 GLN 11 2HG GLN 11 -3.452 -11.305 -4.947 106 HG3 GLN 11 3HG GLN 11 -3.490 -12.091 -3.368 107 HE21 GLN 11 1HE2 GLN 11 -5.161 -13.268 -5.010 108 HE22 GLN 11 2HE2 GLN 11 -6.819 -12.735 -4.763 109 H GLN 12 H GLN 12 -1.743 -8.818 -0.815 110 HA GLN 12 HA GLN 12 -1.773 -5.946 -1.360 111 HB2 GLN 12 2HB GLN 12 -0.986 -7.506 1.135 112 HB3 GLN 12 3HB GLN 12 -1.220 -5.763 1.045 113 HG2 GLN 12 2HG GLN 12 -3.588 -6.020 0.574 114 HG3 GLN 12 3HG GLN 12 -3.442 -7.765 0.440 115 HE21 GLN 12 1HE2 GLN 12 -4.935 -5.855 2.421 116 HE22 GLN 12 2HE2 GLN 12 -4.525 -6.610 3.962 117 H LEU 13 H LEU 13 0.716 -8.359 -0.461 118 HA LEU 13 HA LEU 13 2.970 -6.594 -0.502 119 HB2 LEU 13 2HB LEU 13 2.709 -9.591 -0.978 120 HB3 LEU 13 3HB LEU 13 4.251 -8.765 -0.799 121 HG LEU 13 HG LEU 13 2.090 -8.770 1.356 122 HD11 LEU 13 1HD1 LEU 13 2.921 -11.048 0.952 123 HD12 LEU 13 2HD1 LEU 13 3.493 -10.426 2.507 124 HD13 LEU 13 3HD1 LEU 13 4.598 -10.476 1.114 125 HD21 LEU 13 3HD2 LEU 13 3.974 -8.081 2.830 126 HD22 LEU 13 1HD2 LEU 13 3.644 -6.880 1.582 127 HD23 LEU 13 2HD2 LEU 13 5.034 -7.984 1.412 128 H GLN 14 H GLN 14 1.464 -8.496 -3.143 129 HA GLN 14 HA GLN 14 3.374 -7.790 -5.147 130 HB2 GLN 14 2HB GLN 14 1.786 -9.673 -5.291 131 HB3 GLN 14 3HB GLN 14 0.434 -8.539 -5.422 132 HG2 GLN 14 2HG GLN 14 1.350 -7.681 -7.558 133 HG3 GLN 14 3HG GLN 14 2.758 -8.739 -7.393 134 HE21 GLN 14 1HE2 GLN 14 2.368 -11.136 -7.519 135 HE22 GLN 14 2HE2 GLN 14 0.948 -11.692 -8.393 136 H GLU 15 H GLU 15 0.320 -6.133 -4.140 137 HA GLU 15 HA GLU 15 0.487 -4.076 -6.150 138 HB2 GLU 15 2HB GLU 15 -1.547 -4.756 -4.788 139 HB3 GLU 15 3HB GLU 15 -0.820 -3.937 -3.407 140 HG2 GLU 15 2HG GLU 15 -2.409 -2.443 -4.362 141 HG3 GLU 15 3HG GLU 15 -0.826 -1.794 -4.754 142 H LEU 16 H LEU 16 1.664 -4.231 -2.773 143 HA LEU 16 HA LEU 16 2.833 -1.619 -2.647 144 HB2 LEU 16 2HB LEU 16 3.357 -4.250 -1.213 145 HB3 LEU 16 3HB LEU 16 4.241 -2.785 -0.827 146 HG LEU 16 HG LEU 16 1.206 -2.847 -0.725 147 HD11 LEU 16 1HD1 LEU 16 1.420 -3.199 1.706 148 HD12 LEU 16 2HD1 LEU 16 3.171 -3.421 1.529 149 HD13 LEU 16 3HD1 LEU 16 2.046 -4.585 0.802 150 HD21 LEU 16 3HD2 LEU 16 1.518 -0.945 0.786 151 HD22 LEU 16 1HD2 LEU 16 2.307 -0.612 -0.759 152 HD23 LEU 16 2HD2 LEU 16 3.284 -1.082 0.646 153 H GLU 17 H GLU 17 4.296 -4.780 -3.598 154 HA GLU 17 HA GLU 17 6.851 -3.679 -4.285 155 HB2 GLU 17 2HB GLU 17 6.557 -6.034 -3.867 156 HB3 GLU 17 3HB GLU 17 5.442 -6.204 -5.235 157 HG2 GLU 17 2HG GLU 17 7.174 -5.852 -6.835 158 HG3 GLU 17 3HG GLU 17 8.252 -5.149 -5.632 159 H ALA 18 H ALA 18 3.899 -4.158 -6.331 160 HA ALA 18 HA ALA 18 5.098 -3.390 -8.766 161 HB1 ALA 18 1HB ALA 18 2.219 -3.015 -7.834 162 HB2 ALA 18 2HB ALA 18 2.787 -2.941 -9.515 163 HB3 ALA 18 3HB ALA 18 2.899 -4.463 -8.613 164 H THR 19 H THR 19 3.483 -1.231 -6.322 165 HA THR 19 HA THR 19 4.118 1.127 -7.892 166 HB THR 19 HB THR 19 2.241 1.024 -6.293 167 HG1 THR 19 1HG THR 19 2.641 2.985 -6.900 168 HG21 THR 19 1HG2 THR 19 4.381 1.410 -4.172 169 HG22 THR 19 2HG2 THR 19 3.253 0.042 -4.316 170 HG23 THR 19 3HG2 THR 19 2.637 1.658 -3.950 171 H PHE 20 H PHE 20 5.884 -0.511 -5.212 172 HA PHE 20 HA PHE 20 7.920 1.473 -4.974 173 HB2 PHE 20 2HB PHE 20 7.458 -0.397 -3.386 174 HB3 PHE 20 3HB PHE 20 8.182 -1.522 -4.530 175 HD1 PHE 20 1HD PHE 20 10.653 -1.366 -5.035 176 HD2 PHE 20 2HD PHE 20 8.793 1.081 -2.022 177 HE1 PHE 20 1HE PHE 20 12.890 -0.806 -4.112 178 HE2 PHE 20 2HE PHE 20 11.022 1.636 -1.094 179 HZ PHE 20 HZ PHE 20 13.081 0.704 -2.148 180 H GLN 21 H GLN 21 7.726 -1.367 -7.183 181 HA GLN 21 HA GLN 21 10.353 -0.831 -8.339 182 HB2 GLN 21 2HB GLN 21 8.105 -2.703 -9.167 183 HB3 GLN 21 3HB GLN 21 9.687 -2.653 -9.929 184 HG2 GLN 21 2HG GLN 21 9.146 -3.398 -7.024 185 HG3 GLN 21 3HG GLN 21 9.503 -4.512 -8.338 186 HE21 GLN 21 1HE2 GLN 21 11.754 -3.698 -9.566 187 HE22 GLN 21 2HE2 GLN 21 13.038 -3.452 -8.392 188 H ARG 22 H ARG 22 7.025 0.008 -9.314 189 HA ARG 22 HA ARG 22 8.008 0.964 -11.966 190 HB2 ARG 22 2HB ARG 22 5.172 0.569 -10.957 191 HB3 ARG 22 3HB ARG 22 5.648 0.988 -12.600 192 HG2 ARG 22 2HG ARG 22 6.780 -1.153 -12.905 193 HG3 ARG 22 3HG ARG 22 6.475 -1.608 -11.219 194 HD2 ARG 22 2HD ARG 22 4.035 -1.473 -11.618 195 HD3 ARG 22 3HD ARG 22 4.343 -1.095 -13.327 196 HE ARG 22 HE ARG 22 5.741 -3.472 -12.785 197 HH11 ARG 22 1HH1 ARG 22 2.368 -2.523 -12.821 198 HH12 ARG 22 2HH1 ARG 22 1.822 -4.141 -13.167 199 HH21 ARG 22 1HH2 ARG 22 4.976 -5.511 -13.233 200 HH22 ARG 22 2HH2 ARG 22 3.267 -5.782 -13.399 201 H ASN 23 H ASN 23 6.237 2.287 -9.154 202 HA ASN 23 HA ASN 23 6.159 4.970 -10.402 203 HB2 ASN 23 2HB ASN 23 4.230 3.935 -9.105 204 HB3 ASN 23 3HB ASN 23 5.209 4.100 -7.647 205 HD21 ASN 23 1HD2 ASN 23 3.431 5.393 -6.849 206 HD22 ASN 23 2HD2 ASN 23 3.314 7.079 -7.348 207 H ARG 24 H ARG 24 7.844 3.264 -7.835 208 HA ARG 24 HA ARG 24 9.813 3.522 -6.772 209 HB2 ARG 24 2HB ARG 24 10.484 5.385 -9.069 210 HB3 ARG 24 3HB ARG 24 11.642 4.664 -7.947 211 HG2 ARG 24 2HG ARG 24 10.980 2.397 -8.674 212 HG3 ARG 24 3HG ARG 24 9.801 3.089 -9.801 213 HD2 ARG 24 2HD ARG 24 11.636 4.249 -10.999 214 HD3 ARG 24 3HD ARG 24 12.812 3.485 -9.903 215 HE ARG 24 HE ARG 24 11.160 1.445 -10.992 216 HH11 ARG 24 1HH2 ARG 24 13.639 3.605 -12.215 217 HH12 ARG 24 2HH2 ARG 24 14.071 2.511 -13.502 218 HH21 ARG 24 1HH1 ARG 24 11.739 0.127 -12.609 219 HH22 ARG 24 2HH1 ARG 24 13.010 0.570 -13.719 220 H TYR 25 H TYR 25 8.213 6.589 -7.173 221 HA TYR 25 HA TYR 25 9.189 7.314 -4.459 222 HB2 TYR 25 2HB TYR 25 9.452 9.680 -5.207 223 HB3 TYR 25 3HB TYR 25 10.623 8.547 -5.825 224 HD1 TYR 25 1HD TYR 25 10.737 7.935 -8.195 225 HD2 TYR 25 2HD TYR 25 7.856 10.807 -6.757 226 HE1 TYR 25 1HE TYR 25 10.326 8.689 -10.529 227 HE2 TYR 25 2HE TYR 25 7.445 11.559 -9.096 228 HH TYR 25 HH TYR 25 9.160 10.112 -11.895 229 HA PRO 26 HA PRO 26 4.492 7.877 -4.750 230 HB2 PRO 26 2HB PRO 26 3.773 5.968 -2.909 231 HB3 PRO 26 3HB PRO 26 3.898 5.636 -4.662 232 HG2 PRO 26 2HG PRO 26 5.965 5.106 -2.515 233 HG3 PRO 26 3HG PRO 26 5.388 3.997 -3.805 234 HD2 PRO 26 2HD PRO 26 7.684 5.415 -4.064 235 HD3 PRO 26 3HD PRO 26 6.602 5.140 -5.463 236 H ASP 27 H ASP 27 3.735 9.397 -3.332 237 HA ASP 27 HA ASP 27 5.447 10.101 -1.020 238 HB2 ASP 27 2HB ASP 27 4.744 11.665 -2.985 239 HB3 ASP 27 3HB ASP 27 3.185 11.754 -2.166 240 H MET 28 H MET 28 3.963 11.258 0.854 241 HA MET 28 HA MET 28 2.764 9.065 2.144 242 HB2 MET 28 2HB MET 28 2.141 10.475 3.914 243 HB3 MET 28 3HB MET 28 3.697 11.032 3.320 244 HG2 MET 28 2HG MET 28 1.021 12.339 2.644 245 HG3 MET 28 3HG MET 28 2.041 12.806 3.985 246 HE1 MET 28 3HE MET 28 0.878 14.671 1.576 247 HE2 MET 28 1HE MET 28 2.054 15.044 0.296 248 HE3 MET 28 2HE MET 28 1.220 13.482 0.294 249 H SER 29 H SER 29 1.114 11.516 0.166 250 HA SER 29 HA SER 29 -1.582 10.639 0.779 251 HB2 SER 29 2HB SER 29 -2.140 11.950 -1.291 252 HB3 SER 29 3HB SER 29 -1.262 12.861 -0.048 253 HG SER 29 HG SER 29 -0.421 13.164 -2.199 254 H THR 30 H THR 30 0.769 9.836 -1.820 255 HA THR 30 HA THR 30 -0.884 8.024 -3.280 256 HB THR 30 HB THR 30 2.082 7.575 -2.884 257 HG1 THR 30 1HG THR 30 0.927 9.571 -4.525 258 HG21 THR 30 1HG2 THR 30 1.982 7.072 -5.316 259 HG22 THR 30 2HG2 THR 30 0.228 7.351 -5.291 260 HG23 THR 30 3HG2 THR 30 0.932 6.009 -4.363 261 H ARG 31 H ARG 31 1.282 7.521 -0.481 262 HA ARG 31 HA ARG 31 0.853 4.680 -0.248 263 HB2 ARG 31 2HB ARG 31 1.856 6.719 1.777 264 HB3 ARG 31 3HB ARG 31 1.847 4.970 2.029 265 HG2 ARG 31 2HG ARG 31 3.289 4.643 0.034 266 HG3 ARG 31 3HG ARG 31 3.281 6.375 -0.263 267 HD2 ARG 31 2HD ARG 31 4.208 6.486 2.241 268 HD3 ARG 31 3HD ARG 31 4.692 4.819 1.881 269 HE ARG 31 HE ARG 31 5.424 6.663 -0.252 270 HH11 ARG 31 1HH1 ARG 31 6.578 5.668 2.903 271 HH12 ARG 31 2HH1 ARG 31 8.187 6.253 2.576 272 HH21 ARG 31 1HH2 ARG 31 7.366 7.397 -0.582 273 HH22 ARG 31 2HH2 ARG 31 8.638 7.236 0.618 274 H GLU 32 H GLU 32 -0.826 7.442 1.289 275 HA GLU 32 HA GLU 32 -2.674 5.836 2.801 276 HB2 GLU 32 2HB GLU 32 -2.753 8.676 1.716 277 HB3 GLU 32 3HB GLU 32 -4.136 7.972 2.548 278 HG2 GLU 32 2HG GLU 32 -2.794 7.544 4.543 279 HG3 GLU 32 3HG GLU 32 -1.356 8.199 3.767 280 H GLU 33 H GLU 33 -2.868 6.997 -0.619 281 HA GLU 33 HA GLU 33 -5.525 5.928 -1.020 282 HB2 GLU 33 2HB GLU 33 -3.313 6.655 -2.972 283 HB3 GLU 33 3HB GLU 33 -4.885 6.012 -3.466 284 HG2 GLU 33 2HG GLU 33 -6.039 7.868 -2.313 285 HG3 GLU 33 3HG GLU 33 -4.490 8.571 -1.863 286 H ILE 34 H ILE 34 -2.264 4.467 -1.784 287 HA ILE 34 HA ILE 34 -3.554 2.034 -2.635 288 HB ILE 34 HB ILE 34 -1.444 0.965 -2.725 289 HG12 ILE 34 2HG1 ILE 34 0.680 2.290 -2.346 290 HG13 ILE 34 3HG1 ILE 34 -0.274 3.384 -1.354 291 HG21 ILE 34 1HG2 ILE 34 -2.170 2.538 -4.518 292 HG22 ILE 34 2HG2 ILE 34 -1.196 3.815 -3.757 293 HG23 ILE 34 3HG2 ILE 34 -0.413 2.368 -4.412 294 HD11 ILE 34 3HD1 ILE 34 -0.593 1.704 0.321 295 HD12 ILE 34 1HD1 ILE 34 -0.122 0.397 -0.796 296 HD13 ILE 34 2HD1 ILE 34 1.083 1.550 -0.193 297 H ALA 35 H ALA 35 -2.757 3.170 0.585 298 HA ALA 35 HA ALA 35 -2.993 0.670 1.933 299 HB1 ALA 35 1HB ALA 35 -3.423 2.001 3.925 300 HB2 ALA 35 2HB ALA 35 -2.139 2.765 2.983 301 HB3 ALA 35 3HB ALA 35 -3.782 3.434 2.950 302 H VAL 36 H VAL 36 -5.586 3.102 1.156 303 HA VAL 36 HA VAL 36 -7.664 1.369 2.177 304 HB VAL 36 HB VAL 36 -9.280 2.852 1.136 305 HG11 VAL 36 1HG1 VAL 36 -7.075 4.378 2.574 306 HG12 VAL 36 2HG1 VAL 36 -8.786 4.828 2.462 307 HG13 VAL 36 3HG1 VAL 36 -8.317 3.372 3.360 308 HG21 VAL 36 3HG2 VAL 36 -6.949 4.521 0.142 309 HG22 VAL 36 1HG2 VAL 36 -8.010 3.550 -0.900 310 HG23 VAL 36 2HG2 VAL 36 -8.672 4.906 0.019 311 H TRP 37 H TRP 37 -6.206 1.642 -1.056 312 HA TRP 37 HA TRP 37 -8.111 -0.112 -2.338 313 HB2 TRP 37 2HB TRP 37 -5.243 0.512 -3.063 314 HB3 TRP 37 3HB TRP 37 -6.426 -0.241 -4.124 315 HD1 TRP 37 1HD TRP 37 -8.472 2.235 -2.728 316 HE1 TRP 37 1HE TRP 37 -8.402 4.528 -3.864 317 HE3 TRP 37 3HE TRP 37 -4.240 1.584 -5.508 318 HZ2 TRP 37 2HZ TRP 37 -6.740 5.886 -5.808 319 HZ3 TRP 37 3HZ TRP 37 -3.419 3.404 -6.991 320 HH2 TRP 37 2HH TRP 37 -4.656 5.554 -7.146 321 H THR 38 H THR 38 -5.088 -0.773 -0.571 322 HA THR 38 HA THR 38 -5.314 -3.691 -1.028 323 HB THR 38 HB THR 38 -3.315 -3.833 0.450 324 HG1 THR 38 1HG THR 38 -3.220 -1.033 0.210 325 HG21 THR 38 1HG2 THR 38 -1.713 -2.854 -1.113 326 HG22 THR 38 2HG2 THR 38 -3.012 -1.929 -1.901 327 HG23 THR 38 3HG2 THR 38 -3.012 -3.702 -1.972 328 H ASN 39 H ASN 39 -6.813 -1.570 1.054 329 HA ASN 39 HA ASN 39 -7.862 -1.624 3.000 330 HB2 ASN 39 2HB ASN 39 -8.016 -4.639 2.601 331 HB3 ASN 39 3HB ASN 39 -8.940 -3.719 3.779 332 HD21 ASN 39 1HD2 ASN 39 -8.641 -4.469 0.346 333 HD22 ASN 39 2HD2 ASN 39 -10.154 -3.696 -0.104 334 H LEU 40 H LEU 40 -5.109 -1.474 3.088 335 HA LEU 40 HA LEU 40 -4.364 -2.618 5.752 336 HB2 LEU 40 2HB LEU 40 -2.736 -1.245 3.569 337 HB3 LEU 40 3HB LEU 40 -2.087 -1.719 5.134 338 HG LEU 40 HG LEU 40 -3.189 -3.659 3.053 339 HD11 LEU 40 1HD1 LEU 40 -1.101 -2.592 2.340 340 HD12 LEU 40 2HD1 LEU 40 -0.809 -4.278 2.781 341 HD13 LEU 40 3HD1 LEU 40 -0.342 -2.974 3.897 342 HD21 LEU 40 3HD2 LEU 40 -3.457 -4.573 5.296 343 HD22 LEU 40 1HD2 LEU 40 -1.788 -4.105 5.727 344 HD23 LEU 40 2HD2 LEU 40 -2.093 -5.367 4.516 345 H THR 41 H THR 41 -3.143 -1.039 7.163 346 HA THR 41 HA THR 41 -4.469 1.622 7.217 347 HB THR 41 HB THR 41 -3.462 1.989 9.346 348 HG1 THR 41 1HG THR 41 -2.213 0.343 10.312 349 HG21 THR 41 1HG2 THR 41 -4.493 0.271 10.709 350 HG22 THR 41 2HG2 THR 41 -4.521 -0.869 9.346 351 HG23 THR 41 3HG2 THR 41 -5.537 0.591 9.312 352 H GLU 42 H GLU 42 -3.245 3.575 7.091 353 HA GLU 42 HA GLU 42 -1.020 3.496 5.291 354 HB2 GLU 42 2HB GLU 42 -0.858 5.872 5.614 355 HB3 GLU 42 3HB GLU 42 -2.518 5.346 5.377 356 HG2 GLU 42 2HG GLU 42 -2.921 6.809 7.056 357 HG3 GLU 42 3HG GLU 42 -2.572 5.421 8.072 358 H ALA 43 H ALA 43 -1.100 3.251 8.781 359 HA ALA 43 HA ALA 43 1.702 3.789 9.186 360 HB1 ALA 43 1HB ALA 43 -0.322 2.270 10.896 361 HB2 ALA 43 2HB ALA 43 1.277 2.832 11.427 362 HB3 ALA 43 3HB ALA 43 0.031 4.012 10.980 363 H ARG 44 H ARG 44 -0.180 0.720 8.770 364 HA ARG 44 HA ARG 44 2.100 -1.058 8.905 365 HB2 ARG 44 2HB ARG 44 -0.659 -1.306 7.661 366 HB3 ARG 44 3HB ARG 44 0.534 -2.612 7.616 367 HG2 ARG 44 2HG ARG 44 0.636 -2.756 10.024 368 HG3 ARG 44 3HG ARG 44 -0.374 -1.315 10.219 369 HD2 ARG 44 2HD ARG 44 -2.226 -2.471 9.038 370 HD3 ARG 44 3HD ARG 44 -1.251 -3.939 8.942 371 HE ARG 44 HE ARG 44 -2.598 -2.801 11.308 372 HH11 ARG 44 1HH2 ARG 44 -0.348 -5.259 10.247 373 HH12 ARG 44 2HH2 ARG 44 -0.308 -6.027 11.813 374 HH21 ARG 44 1HH1 ARG 44 -2.599 -3.899 13.233 375 HH22 ARG 44 2HH1 ARG 44 -1.604 -5.311 13.434 376 H VAL 45 H VAL 45 0.556 0.638 6.188 377 HA VAL 45 HA VAL 45 2.320 -0.327 4.130 378 HB VAL 45 HB VAL 45 0.658 2.196 4.399 379 HG11 VAL 45 1HG1 VAL 45 0.998 2.563 1.992 380 HG12 VAL 45 2HG1 VAL 45 2.499 2.770 2.881 381 HG13 VAL 45 3HG1 VAL 45 2.222 1.268 1.964 382 HG21 VAL 45 3HG2 VAL 45 -0.694 1.022 2.648 383 HG22 VAL 45 1HG2 VAL 45 0.392 -0.369 2.762 384 HG23 VAL 45 2HG2 VAL 45 -0.602 0.100 4.151 385 H ARG 46 H ARG 46 2.613 2.671 6.191 386 HA ARG 46 HA ARG 46 5.103 3.472 5.088 387 HB2 ARG 46 2HB ARG 46 3.559 4.821 6.490 388 HB3 ARG 46 3HB ARG 46 4.072 3.914 7.922 389 HG2 ARG 46 2HG ARG 46 6.401 4.718 7.590 390 HG3 ARG 46 3HG ARG 46 5.904 5.584 6.126 391 HD2 ARG 46 2HD ARG 46 4.874 6.102 8.947 392 HD3 ARG 46 3HD ARG 46 6.098 7.057 8.117 393 HE ARG 46 HE ARG 46 4.456 7.843 6.532 394 HH11 ARG 46 1HH1 ARG 46 2.952 6.145 9.220 395 HH12 ARG 46 2HH1 ARG 46 1.354 6.726 8.791 396 HH21 ARG 46 1HH2 ARG 46 2.417 8.650 6.168 397 HH22 ARG 46 2HH2 ARG 46 1.086 8.129 7.181 398 H VAL 47 H VAL 47 4.488 1.245 7.829 399 HA VAL 47 HA VAL 47 7.246 0.704 8.441 400 HB VAL 47 HB VAL 47 4.722 -0.941 8.825 401 HG11 VAL 47 1HG1 VAL 47 6.555 -2.571 8.738 402 HG12 VAL 47 2HG1 VAL 47 7.538 -1.563 9.824 403 HG13 VAL 47 3HG1 VAL 47 6.049 -2.337 10.410 404 HG21 VAL 47 3HG2 VAL 47 4.986 1.158 10.181 405 HG22 VAL 47 1HG2 VAL 47 5.018 -0.302 11.175 406 HG23 VAL 47 2HG2 VAL 47 6.532 0.544 10.789 407 H TRP 48 H TRP 48 5.033 -0.911 6.067 408 HA TRP 48 HA TRP 48 6.981 -2.776 5.128 409 HB2 TRP 48 2HB TRP 48 4.568 -2.917 4.611 410 HB3 TRP 48 3HB TRP 48 4.704 -1.505 3.567 411 HD1 TRP 48 1HD TRP 48 5.347 -5.209 3.669 412 HE1 TRP 48 1HE TRP 48 6.184 -6.061 1.397 413 HE3 TRP 48 3HE TRP 48 6.037 -0.709 1.300 414 HZ2 TRP 48 2HZ TRP 48 7.101 -4.943 -1.099 415 HZ3 TRP 48 3HZ TRP 48 6.931 -0.635 -1.006 416 HH2 TRP 48 2HH TRP 48 7.479 -2.735 -2.212 417 H PHE 49 H PHE 49 6.267 0.569 3.948 418 HA PHE 49 HA PHE 49 8.286 0.544 1.919 419 HB2 PHE 49 2HB PHE 49 6.729 2.694 3.332 420 HB3 PHE 49 3HB PHE 49 8.157 3.155 2.424 421 HD1 PHE 49 1HD PHE 49 8.348 2.801 -0.017 422 HD2 PHE 49 2HD PHE 49 4.711 1.922 2.121 423 HE1 PHE 49 1HE PHE 49 7.086 2.774 -2.154 424 HE2 PHE 49 2HE PHE 49 3.463 1.870 -0.017 425 HZ PHE 49 HZ PHE 49 4.641 2.318 -2.149 426 H LYS 50 H LYS 50 8.545 1.600 5.362 427 HA LYS 50 HA LYS 50 11.298 2.411 5.219 428 HB2 LYS 50 2HB LYS 50 9.565 1.357 7.490 429 HB3 LYS 50 3HB LYS 50 11.241 1.869 7.725 430 HG2 LYS 50 2HG LYS 50 10.758 4.130 7.018 431 HG3 LYS 50 3HG LYS 50 9.144 3.693 6.478 432 HD2 LYS 50 2HD LYS 50 8.981 4.858 8.602 433 HD3 LYS 50 3HD LYS 50 8.442 3.192 8.771 434 HE2 LYS 50 2HE LYS 50 9.720 3.740 10.717 435 HE3 LYS 50 3HE LYS 50 10.656 2.584 9.773 436 HZ1 LYS 50 3HZ LYS 50 12.027 4.430 10.570 437 HZ2 LYS 50 1HZ LYS 50 11.099 5.528 9.803 438 HZ3 LYS 50 2HZ LYS 50 11.991 4.461 8.941 439 H ASN 51 H ASN 51 9.899 -0.790 5.963 440 HA ASN 51 HA ASN 51 12.384 -2.164 6.326 441 HB2 ASN 51 2HB ASN 51 10.108 -2.887 7.075 442 HB3 ASN 51 3HB ASN 51 9.662 -3.202 5.401 443 HD21 ASN 51 1HD2 ASN 51 9.224 -5.273 6.844 444 HD22 ASN 51 2HD2 ASN 51 10.514 -6.466 6.750 445 H ARG 52 H ARG 52 10.304 -1.826 3.407 446 HA ARG 52 HA ARG 52 11.968 -3.244 1.595 447 HB2 ARG 52 2HB ARG 52 9.566 -2.579 1.228 448 HB3 ARG 52 3HB ARG 52 10.088 -0.907 1.032 449 HG2 ARG 52 2HG ARG 52 9.752 -1.798 -1.140 450 HG3 ARG 52 3HG ARG 52 11.498 -1.650 -0.936 451 HD2 ARG 52 2HD ARG 52 11.655 -4.073 -0.469 452 HD3 ARG 52 3HD ARG 52 9.889 -4.200 -0.595 453 HE ARG 52 HE ARG 52 11.345 -3.101 -2.936 454 HH11 ARG 52 1HH2 ARG 52 9.783 -5.987 -1.612 455 HH12 ARG 52 2HH2 ARG 52 9.644 -6.677 -3.233 456 HH21 ARG 52 1HH1 ARG 52 11.140 -4.217 -4.936 457 HH22 ARG 52 2HH1 ARG 52 10.349 -5.796 -4.876 458 H ARG 53 H ARG 53 11.959 0.280 2.330 459 HA ARG 53 HA ARG 53 14.110 0.982 0.571 460 HB2 ARG 53 2HB ARG 53 13.094 2.233 3.154 461 HB3 ARG 53 3HB ARG 53 14.418 2.934 2.232 462 HG2 ARG 53 2HG ARG 53 11.646 2.450 1.073 463 HG3 ARG 53 3HG ARG 53 12.185 3.966 1.799 464 HD2 ARG 53 2HD ARG 53 13.980 4.150 0.092 465 HD3 ARG 53 3HD ARG 53 13.420 2.635 -0.645 466 HE ARG 53 HE ARG 53 11.347 4.677 -0.350 467 HH11 ARG 53 1HH2 ARG 53 13.850 3.608 -2.586 468 HH12 ARG 53 2HH2 ARG 53 12.950 4.188 -3.961 469 HH21 ARG 53 1HH1 ARG 53 10.316 5.404 -2.143 470 HH22 ARG 53 2HH1 ARG 53 11.028 5.190 -3.721 471 H ALA 54 H ALA 54 14.273 -0.101 4.003 472 HA ALA 54 HA ALA 54 17.103 0.141 4.204 473 HB1 ALA 54 1HB ALA 54 15.597 -0.138 6.130 474 HB2 ALA 54 2HB ALA 54 15.218 -1.797 5.615 475 HB3 ALA 54 3HB ALA 54 16.867 -1.377 6.124 476 H LYS 55 H LYS 55 15.128 -2.691 3.188 477 HA LYS 55 HA LYS 55 17.383 -4.405 2.594 478 HB2 LYS 55 2HB LYS 55 14.459 -4.474 1.740 479 HB3 LYS 55 3HB LYS 55 15.632 -5.745 1.365 480 HG2 LYS 55 2HG LYS 55 16.041 -6.137 3.766 481 HG3 LYS 55 3HG LYS 55 14.935 -4.833 4.194 482 HD2 LYS 55 2HD LYS 55 13.798 -6.917 4.500 483 HD3 LYS 55 3HD LYS 55 13.054 -6.075 3.134 484 HE2 LYS 55 2HE LYS 55 14.325 -7.500 1.551 485 HE3 LYS 55 3HE LYS 55 15.155 -8.285 2.901 486 HZ1 LYS 55 3HZ LYS 55 13.288 -9.619 2.111 487 HZ2 LYS 55 1HZ LYS 55 12.227 -8.414 2.402 488 HZ3 LYS 55 2HZ LYS 55 13.002 -9.144 3.644 489 H TRP 56 H TRP 56 15.704 -2.024 0.644 490 HA TRP 56 HA TRP 56 16.974 -2.705 -1.884 491 HB2 TRP 56 2HB TRP 56 14.827 -1.676 -1.873 492 HB3 TRP 56 3HB TRP 56 15.355 -0.402 -0.790 493 HD1 TRP 56 1HD TRP 56 15.871 -1.462 -4.458 494 HE1 TRP 56 1HE TRP 56 16.215 0.660 -5.867 495 HE3 TRP 56 3HE TRP 56 16.011 2.004 -0.685 496 HZ2 TRP 56 2HZ TRP 56 16.447 3.506 -5.417 497 HZ3 TRP 56 3HZ TRP 56 16.283 4.419 -1.205 498 HH2 TRP 56 2HH TRP 56 16.498 5.179 -3.561 499 H ARG 57 H ARG 57 17.605 -0.201 0.608 500 HA ARG 57 HA ARG 57 19.823 0.955 -0.885 501 HB2 ARG 57 2HB ARG 57 18.220 2.267 0.424 502 HB3 ARG 57 3HB ARG 57 18.763 1.487 1.916 503 HG2 ARG 57 2HG ARG 57 20.911 2.567 1.805 504 HG3 ARG 57 3HG ARG 57 20.655 3.061 0.123 505 HD2 ARG 57 2HD ARG 57 20.380 4.952 1.686 506 HD3 ARG 57 3HD ARG 57 18.913 4.611 0.753 507 HE ARG 57 HE ARG 57 18.896 3.249 3.335 508 HH11 ARG 57 1HH2 ARG 57 18.194 6.404 1.948 509 HH12 ARG 57 2HH2 ARG 57 17.055 6.769 3.217 510 HH21 ARG 57 1HH1 ARG 57 17.568 3.738 4.816 511 HH22 ARG 57 2HH1 ARG 57 16.690 5.272 4.862 512 H LYS 58 H LYS 58 19.604 -1.155 1.927 513 HA LYS 58 HA LYS 58 21.008 -2.464 3.061 514 HB2 LYS 58 2HB LYS 58 22.655 -2.462 0.512 515 HB3 LYS 58 3HB LYS 58 22.805 -3.600 1.855 516 HG2 LYS 58 2HG LYS 58 20.425 -4.303 1.506 517 HG3 LYS 58 3HG LYS 58 20.321 -3.190 0.135 518 HD2 LYS 58 2HD LYS 58 20.663 -5.393 -0.721 519 HD3 LYS 58 3HD LYS 58 22.128 -4.447 -1.024 520 HE2 LYS 58 2HE LYS 58 23.221 -5.510 0.941 521 HE3 LYS 58 3HE LYS 58 21.738 -6.409 1.287 522 HZ1 LYS 58 3HZ LYS 58 21.996 -7.530 -0.862 523 HZ2 LYS 58 1HZ LYS 58 23.329 -7.761 0.048 524 HZ3 LYS 58 2HZ LYS 58 23.365 -6.694 -1.186 525 H ARG 59 H ARG 59 23.292 -0.201 1.485 526 HA ARG 59 HA ARG 59 25.128 -0.510 3.751 527 HB2 ARG 59 2HB ARG 59 26.829 0.364 2.478 528 HB3 ARG 59 3HB ARG 59 25.882 -0.611 1.377 529 HG2 ARG 59 2HG ARG 59 25.954 2.441 1.518 530 HG3 ARG 59 3HG ARG 59 26.673 1.403 0.288 531 HD2 ARG 59 2HD ARG 59 24.373 0.579 -0.286 532 HD3 ARG 59 3HD ARG 59 23.715 1.804 0.832 533 HE ARG 59 HE ARG 59 25.383 3.194 -0.931 534 HH11 ARG 59 1HH1 ARG 59 22.468 1.277 -1.214 535 HH12 ARG 59 2HH1 ARG 59 21.958 2.095 -2.677 536 HH21 ARG 59 1HH2 ARG 59 24.656 4.231 -2.773 537 HH22 ARG 59 2HH2 ARG 59 23.152 3.752 -3.505 538 H GLU 60 H GLU 60 22.631 1.077 4.134 539 HA GLU 60 HA GLU 60 23.424 3.780 4.806 540 HB2 GLU 60 2HB GLU 60 21.275 3.893 5.962 541 HB3 GLU 60 3HB GLU 60 21.122 3.263 4.324 542 HG2 GLU 60 2HG GLU 60 20.916 0.956 5.202 543 HG3 GLU 60 3HG GLU 60 21.137 1.552 6.852 544 H GLU 61 H GLU 61 23.416 4.689 6.988 545 HA GLU 61 HA GLU 61 24.819 2.927 8.966 546 HB2 GLU 61 2HB GLU 61 25.340 5.841 8.275 547 HB3 GLU 61 3HB GLU 61 26.094 4.953 9.604 548 HG2 GLU 61 2HG GLU 61 27.046 3.326 7.971 549 HG3 GLU 61 3HG GLU 61 26.370 4.275 6.645 550 H PHE 62 H PHE 62 24.693 3.538 11.194 551 HA PHE 62 HA PHE 62 21.970 4.222 11.981 552 HB2 PHE 62 2HB PHE 62 22.674 3.437 14.176 553 HB3 PHE 62 3HB PHE 62 23.089 2.292 12.919 554 HD1 PHE 62 1HD PHE 62 24.459 4.785 15.318 555 HD2 PHE 62 2HD PHE 62 25.413 1.716 12.437 556 HE1 PHE 62 1HE PHE 62 26.814 4.775 16.103 557 HE2 PHE 62 2HE PHE 62 27.769 1.722 13.217 558 HZ PHE 62 HZ PHE 62 28.474 3.252 15.049 559 H ILE 63 H ILE 63 24.551 6.235 11.401 560 HA ILE 63 HA ILE 63 24.403 7.986 13.712 561 HB ILE 63 HB ILE 63 25.572 8.493 10.953 562 HG12 ILE 63 2HG1 ILE 63 26.693 6.572 11.935 563 HG13 ILE 63 3HG1 ILE 63 27.756 7.962 11.903 564 HG21 ILE 63 1HG2 ILE 63 26.951 10.219 12.145 565 HG22 ILE 63 2HG2 ILE 63 25.235 10.610 12.076 566 HG23 ILE 63 3HG2 ILE 63 25.939 9.990 13.585 567 HD11 ILE 63 3HD1 ILE 63 28.003 6.684 13.985 568 HD12 ILE 63 1HD1 ILE 63 27.413 8.316 14.335 569 HD13 ILE 63 2HD1 ILE 63 26.295 6.932 14.378 570 H VAL 64 H VAL 64 23.009 9.516 14.146 571 HA VAL 64 HA VAL 64 21.311 10.748 12.009 572 HB VAL 64 HB VAL 64 19.413 10.749 13.579 573 HG11 VAL 64 1HG1 VAL 64 18.790 8.428 13.346 574 HG12 VAL 64 2HG1 VAL 64 19.651 8.959 11.891 575 HG13 VAL 64 3HG1 VAL 64 20.478 7.946 13.094 576 HG21 VAL 64 3HG2 VAL 64 20.663 10.584 15.733 577 HG22 VAL 64 1HG2 VAL 64 19.398 9.358 15.578 578 HG23 VAL 64 2HG2 VAL 64 21.094 8.904 15.337 579 H THR 65 H THR 65 23.726 11.542 14.001 580 HA THR 65 HA THR 65 22.606 13.916 15.303 581 HB THR 65 HB THR 65 24.981 14.164 16.128 582 HG1 THR 65 1HG THR 65 26.344 12.422 15.773 583 HG21 THR 65 1HG2 THR 65 23.698 11.437 16.618 584 HG22 THR 65 2HG2 THR 65 23.253 12.951 17.436 585 HG23 THR 65 3HG2 THR 65 24.870 12.267 17.664 586 H ASP 66 H ASP 66 23.777 13.400 12.201 587 HA ASP 66 HA ASP 66 24.172 16.300 11.725 588 HB2 ASP 66 2HB ASP 66 26.427 15.373 12.077 589 HB3 ASP 66 3HB ASP 66 26.135 14.147 10.850 Start of MODEL 3 1 H1 GLY -1 1H GLY -1 -19.035 -13.820 0.001 2 H2 GLY -1 2H GLY -1 -18.084 -14.929 -0.741 3 H3 GLY -1 3H GLY -1 -18.491 -13.545 -1.519 4 HA2 GLY -1 2HA GLY -1 -16.807 -13.710 0.895 5 HA3 GLY -1 3HA GLY -1 -16.207 -13.437 -0.751 6 H SER 0 H SER 0 -15.970 -11.728 1.646 7 HA SER 0 HA SER 0 -17.726 -9.431 1.317 8 HB2 SER 0 2HB SER 0 -16.665 -10.149 3.475 9 HB3 SER 0 3HB SER 0 -15.105 -9.589 2.840 10 HG SER 0 HG SER 0 -16.197 -8.020 4.100 11 H GLN 1 H GLN 1 -17.041 -7.286 0.808 12 HA GLN 1 HA GLN 1 -14.673 -6.932 -0.954 13 HB2 GLN 1 2HB GLN 1 -17.514 -6.097 -1.684 14 HB3 GLN 1 3HB GLN 1 -16.046 -5.601 -2.539 15 HG2 GLN 1 2HG GLN 1 -15.561 -7.990 -3.074 16 HG3 GLN 1 3HG GLN 1 -17.065 -8.466 -2.280 17 HE21 GLN 1 1HE2 GLN 1 -17.053 -9.382 -4.719 18 HE22 GLN 1 2HE2 GLN 1 -17.965 -8.362 -5.824 19 H ARG 2 H ARG 2 -13.698 -5.002 -0.678 20 HA ARG 2 HA ARG 2 -12.941 -3.143 0.315 21 HB2 ARG 2 2HB ARG 2 -14.692 -2.180 -1.083 22 HB3 ARG 2 3HB ARG 2 -15.869 -2.338 0.214 23 HG2 ARG 2 2HG ARG 2 -15.116 -0.032 -0.059 24 HG3 ARG 2 3HG ARG 2 -14.743 -0.647 1.541 25 HD2 ARG 2 2HD ARG 2 -12.352 -1.086 0.696 26 HD3 ARG 2 3HD ARG 2 -12.818 -0.273 -0.794 27 HE ARG 2 HE ARG 2 -12.786 1.785 0.308 28 HH11 ARG 2 2HH1 ARG 2 -12.505 -0.725 2.762 29 HH12 ARG 2 1HH1 ARG 2 -12.005 0.420 3.982 30 HH21 ARG 2 1HH2 ARG 2 -12.232 3.180 1.950 31 HH22 ARG 2 2HH2 ARG 2 -11.881 2.564 3.536 32 H ARG 3 H ARG 3 -14.955 -5.029 2.254 33 HA ARG 3 HA ARG 3 -13.981 -3.716 4.774 34 HB2 ARG 3 2HB ARG 3 -16.451 -5.382 4.164 35 HB3 ARG 3 3HB ARG 3 -15.796 -5.292 5.786 36 HG2 ARG 3 2HG ARG 3 -17.607 -3.735 5.563 37 HG3 ARG 3 3HG ARG 3 -16.097 -2.904 5.913 38 HD2 ARG 3 2HD ARG 3 -17.492 -1.669 4.301 39 HD3 ARG 3 3HD ARG 3 -15.932 -2.099 3.631 40 HE ARG 3 HE ARG 3 -16.941 -3.704 2.193 41 HH11 ARG 3 1HH2 ARG 3 -19.486 -2.169 4.066 42 HH12 ARG 3 2HH2 ARG 3 -20.720 -2.778 2.996 43 HH21 ARG 3 1HH1 ARG 3 -18.466 -4.406 0.942 44 HH22 ARG 3 2HH1 ARG 3 -20.154 -4.032 1.234 45 H GLN 4 H GLN 4 -13.438 -5.232 6.506 46 HA GLN 4 HA GLN 4 -11.791 -6.581 7.293 47 HB2 GLN 4 2HB GLN 4 -12.999 -8.662 5.424 48 HB3 GLN 4 3HB GLN 4 -11.881 -8.962 6.748 49 HG2 GLN 4 2HG GLN 4 -13.897 -9.485 7.713 50 HG3 GLN 4 3HG GLN 4 -13.559 -7.875 8.325 51 HE21 GLN 4 1HE2 GLN 4 -15.864 -7.615 8.808 52 HE22 GLN 4 2HE2 GLN 4 -17.010 -7.359 7.499 53 H ARG 5 H ARG 5 -10.491 -8.744 5.494 54 HA ARG 5 HA ARG 5 -8.432 -8.972 4.602 55 HB2 ARG 5 2HB ARG 5 -9.458 -6.741 2.806 56 HB3 ARG 5 3HB ARG 5 -7.987 -7.621 2.464 57 HG2 ARG 5 2HG ARG 5 -10.725 -8.916 2.721 58 HG3 ARG 5 3HG ARG 5 -9.994 -8.419 1.203 59 HD2 ARG 5 2HD ARG 5 -8.724 -10.483 3.066 60 HD3 ARG 5 3HD ARG 5 -9.831 -10.871 1.769 61 HE ARG 5 HE ARG 5 -8.249 -10.376 0.141 62 HH11 ARG 5 1HH2 ARG 5 -6.802 -9.585 3.235 63 HH12 ARG 5 2HH2 ARG 5 -5.205 -9.501 2.550 64 HH21 ARG 5 2HH1 ARG 5 -6.148 -10.510 -0.594 65 HH22 ARG 5 1HH1 ARG 5 -4.846 -10.268 0.536 66 H THR 6 H THR 6 -8.593 -7.047 6.888 67 HA THR 6 HA THR 6 -6.350 -5.237 6.579 68 HB THR 6 HB THR 6 -6.415 -5.238 9.122 69 HG1 THR 6 1HG THR 6 -8.244 -6.182 10.041 70 HG21 THR 6 1HG2 THR 6 -9.031 -4.623 7.673 71 HG22 THR 6 2HG2 THR 6 -7.616 -3.554 7.760 72 HG23 THR 6 3HG2 THR 6 -8.505 -3.958 9.236 73 H HIS 7 H HIS 7 -4.325 -5.398 7.616 74 HA HIS 7 HA HIS 7 -2.268 -6.262 7.794 75 HB2 HIS 7 2HB HIS 7 -3.343 -7.521 9.714 76 HB3 HIS 7 3HB HIS 7 -3.405 -8.926 8.650 77 HD2 HIS 7 2HD HIS 7 -1.203 -10.347 8.448 78 HE1 HIS 7 1HE HIS 7 1.490 -7.712 10.451 79 HE2 HIS 7 2HE HIS 7 1.230 -10.022 9.410 80 H PHE 8 H PHE 8 -0.633 -7.779 6.883 81 HA PHE 8 HA PHE 8 -0.989 -7.666 4.081 82 HB2 PHE 8 2HB PHE 8 1.192 -9.013 5.714 83 HB3 PHE 8 3HB PHE 8 1.293 -8.601 4.016 84 HD1 PHE 8 1HD PHE 8 1.158 -6.117 3.321 85 HD2 PHE 8 2HD PHE 8 1.879 -7.443 7.363 86 HE1 PHE 8 1HE PHE 8 2.278 -3.960 3.834 87 HE2 PHE 8 2HE PHE 8 2.982 -5.279 7.874 88 HZ PHE 8 HZ PHE 8 3.220 -3.556 6.100 89 H THR 9 H THR 9 -0.800 -9.145 2.489 90 HA THR 9 HA THR 9 -0.707 -12.044 2.901 91 HB THR 9 HB THR 9 -2.496 -12.496 1.264 92 HG1 THR 9 1HG THR 9 -3.064 -9.749 1.589 93 HG21 THR 9 1HG2 THR 9 -4.464 -12.105 2.608 94 HG22 THR 9 2HG2 THR 9 -3.622 -10.867 3.572 95 HG23 THR 9 3HG2 THR 9 -3.116 -12.567 3.660 96 H SER 10 H SER 10 -0.311 -13.096 0.664 97 HA SER 10 HA SER 10 1.823 -11.889 -0.723 98 HB2 SER 10 2HB SER 10 1.353 -13.612 -2.467 99 HB3 SER 10 3HB SER 10 1.431 -14.260 -0.820 100 HG SER 10 HG SER 10 -0.380 -15.073 -1.987 101 H GLN 11 H GLN 11 -1.662 -11.635 -1.402 102 HA GLN 11 HA GLN 11 -1.497 -10.328 -3.949 103 HB2 GLN 11 2HB GLN 11 -3.596 -10.203 -1.741 104 HB3 GLN 11 3HB GLN 11 -3.822 -9.563 -3.373 105 HG2 GLN 11 2HG GLN 11 -3.553 -11.793 -4.341 106 HG3 GLN 11 3HG GLN 11 -3.235 -12.492 -2.754 107 HE21 GLN 11 1HE2 GLN 11 -5.295 -13.572 -4.271 108 HE22 GLN 11 2HE2 GLN 11 -6.827 -13.132 -3.527 109 H GLN 12 H GLN 12 -1.705 -8.997 -0.634 110 HA GLN 12 HA GLN 12 -1.772 -6.215 -1.521 111 HB2 GLN 12 2HB GLN 12 -1.386 -7.524 1.198 112 HB3 GLN 12 3HB GLN 12 -1.585 -5.785 0.950 113 HG2 GLN 12 2HG GLN 12 -3.834 -6.002 0.220 114 HG3 GLN 12 3HG GLN 12 -3.685 -7.724 -0.096 115 HE21 GLN 12 1HE2 GLN 12 -4.829 -5.525 2.228 116 HE22 GLN 12 2HE2 GLN 12 -4.958 -6.694 3.530 117 H LEU 13 H LEU 13 0.731 -8.425 -0.301 118 HA LEU 13 HA LEU 13 2.880 -6.487 -0.236 119 HB2 LEU 13 2HB LEU 13 2.830 -9.522 -0.464 120 HB3 LEU 13 3HB LEU 13 4.299 -8.581 -0.222 121 HG LEU 13 HG LEU 13 1.951 -8.482 1.727 122 HD11 LEU 13 1HD1 LEU 13 4.467 -10.183 1.890 123 HD12 LEU 13 2HD1 LEU 13 2.819 -10.784 1.602 124 HD13 LEU 13 3HD1 LEU 13 3.217 -10.019 3.146 125 HD21 LEU 13 3HD2 LEU 13 3.500 -6.577 1.911 126 HD22 LEU 13 1HD2 LEU 13 4.872 -7.708 2.051 127 HD23 LEU 13 2HD2 LEU 13 3.624 -7.645 3.311 128 H GLN 14 H GLN 14 1.673 -8.724 -2.815 129 HA GLN 14 HA GLN 14 3.629 -7.952 -4.762 130 HB2 GLN 14 2HB GLN 14 2.222 -9.969 -4.905 131 HB3 GLN 14 3HB GLN 14 0.782 -8.966 -5.140 132 HG2 GLN 14 2HG GLN 14 1.756 -8.099 -7.265 133 HG3 GLN 14 3HG GLN 14 3.195 -9.094 -7.004 134 HE21 GLN 14 1HE2 GLN 14 2.810 -11.545 -6.908 135 HE22 GLN 14 2HE2 GLN 14 1.479 -12.170 -7.872 136 H GLU 15 H GLU 15 0.422 -6.512 -3.939 137 HA GLU 15 HA GLU 15 0.491 -4.515 -5.990 138 HB2 GLU 15 2HB GLU 15 -1.488 -5.270 -4.541 139 HB3 GLU 15 3HB GLU 15 -0.821 -4.253 -3.266 140 HG2 GLU 15 2HG GLU 15 -2.516 -2.988 -4.360 141 HG3 GLU 15 3HG GLU 15 -0.988 -2.281 -4.858 142 H LEU 16 H LEU 16 1.867 -4.513 -2.679 143 HA LEU 16 HA LEU 16 2.868 -1.801 -2.837 144 HB2 LEU 16 2HB LEU 16 3.283 -4.174 -1.038 145 HB3 LEU 16 3HB LEU 16 4.444 -2.857 -0.964 146 HG LEU 16 HG LEU 16 1.489 -2.206 -0.840 147 HD11 LEU 16 1HD1 LEU 16 3.244 -3.038 1.511 148 HD12 LEU 16 2HD1 LEU 16 1.838 -3.927 0.889 149 HD13 LEU 16 3HD1 LEU 16 1.617 -2.333 1.630 150 HD21 LEU 16 3HD2 LEU 16 3.103 -0.353 -1.087 151 HD22 LEU 16 1HD2 LEU 16 3.965 -0.900 0.364 152 HD23 LEU 16 2HD2 LEU 16 2.298 -0.307 0.487 153 H GLU 17 H GLU 17 4.367 -4.957 -3.755 154 HA GLU 17 HA GLU 17 6.846 -3.725 -4.613 155 HB2 GLU 17 2HB GLU 17 5.512 -6.319 -5.493 156 HB3 GLU 17 3HB GLU 17 7.089 -5.753 -6.056 157 HG2 GLU 17 2HG GLU 17 7.741 -5.576 -3.567 158 HG3 GLU 17 3HG GLU 17 6.329 -6.574 -3.238 159 H ALA 18 H ALA 18 3.769 -4.337 -6.372 160 HA ALA 18 HA ALA 18 4.614 -3.302 -8.887 161 HB1 ALA 18 1HB ALA 18 2.217 -3.131 -9.355 162 HB2 ALA 18 2HB ALA 18 2.594 -4.664 -8.547 163 HB3 ALA 18 3HB ALA 18 1.842 -3.337 -7.634 164 H THR 19 H THR 19 3.257 -1.673 -6.024 165 HA THR 19 HA THR 19 3.201 1.012 -7.057 166 HB THR 19 HB THR 19 3.539 0.001 -4.204 167 HG1 THR 19 1HG THR 19 1.629 -0.687 -5.105 168 HG21 THR 19 1HG2 THR 19 4.135 2.401 -4.349 169 HG22 THR 19 2HG2 THR 19 2.615 2.127 -3.492 170 HG23 THR 19 3HG2 THR 19 2.586 2.724 -5.170 171 H PHE 20 H PHE 20 5.736 -0.754 -5.186 172 HA PHE 20 HA PHE 20 7.610 1.361 -5.081 173 HB2 PHE 20 2HB PHE 20 7.603 -0.668 -3.680 174 HB3 PHE 20 3HB PHE 20 8.030 -1.652 -5.065 175 HD1 PHE 20 1HD PHE 20 9.254 1.065 -2.803 176 HD2 PHE 20 2HD PHE 20 10.316 -1.883 -5.764 177 HE1 PHE 20 1HE PHE 20 11.655 1.371 -2.245 178 HE2 PHE 20 2HE PHE 20 12.720 -1.583 -5.195 179 HZ PHE 20 HZ PHE 20 13.387 0.034 -3.427 180 H GLN 21 H GLN 21 7.341 -1.263 -7.575 181 HA GLN 21 HA GLN 21 9.590 -0.213 -9.057 182 HB2 GLN 21 2HB GLN 21 9.147 -1.859 -10.708 183 HB3 GLN 21 3HB GLN 21 8.955 -2.558 -9.111 184 HG2 GLN 21 2HG GLN 21 7.193 -3.488 -10.319 185 HG3 GLN 21 3HG GLN 21 6.433 -2.205 -9.398 186 HE21 GLN 21 1HE2 GLN 21 4.952 -1.015 -10.597 187 HE22 GLN 21 2HE2 GLN 21 5.057 -0.816 -12.347 188 H ARG 22 H ARG 22 6.291 0.825 -8.968 189 HA ARG 22 HA ARG 22 6.435 2.365 -11.488 190 HB2 ARG 22 2HB ARG 22 4.270 1.507 -10.533 191 HB3 ARG 22 3HB ARG 22 4.481 2.592 -9.154 192 HG2 ARG 22 2HG ARG 22 4.543 4.534 -10.819 193 HG3 ARG 22 3HG ARG 22 4.110 3.363 -12.077 194 HD2 ARG 22 2HD ARG 22 2.067 2.770 -10.746 195 HD3 ARG 22 3HD ARG 22 2.492 4.007 -9.563 196 HE ARG 22 HE ARG 22 1.339 4.384 -12.230 197 HH11 ARG 22 1HH2 ARG 22 3.060 6.123 -9.673 198 HH12 ARG 22 2HH2 ARG 22 2.459 7.656 -10.241 199 HH21 ARG 22 1HH1 ARG 22 0.661 6.382 -12.868 200 HH22 ARG 22 2HH1 ARG 22 1.160 7.799 -11.992 201 H ASN 23 H ASN 23 6.557 3.057 -8.000 202 HA ASN 23 HA ASN 23 8.476 5.246 -8.391 203 HB2 ASN 23 2HB ASN 23 6.945 6.789 -6.985 204 HB3 ASN 23 3HB ASN 23 6.615 6.604 -8.699 205 HD21 ASN 23 1HD2 ASN 23 5.592 5.053 -5.604 206 HD22 ASN 23 2HD2 ASN 23 3.888 5.044 -6.061 207 H ARG 24 H ARG 24 10.035 4.636 -7.032 208 HA ARG 24 HA ARG 24 9.629 2.953 -4.742 209 HB2 ARG 24 2HB ARG 24 12.028 4.634 -5.582 210 HB3 ARG 24 3HB ARG 24 12.039 3.458 -4.264 211 HG2 ARG 24 2HG ARG 24 11.384 1.664 -5.866 212 HG3 ARG 24 3HG ARG 24 11.507 2.815 -7.201 213 HD2 ARG 24 2HD ARG 24 13.770 2.122 -5.282 214 HD3 ARG 24 3HD ARG 24 13.530 1.361 -6.866 215 HE ARG 24 HE ARG 24 13.594 4.106 -7.383 216 HH11 ARG 24 1HH1 ARG 24 15.877 1.786 -6.091 217 HH12 ARG 24 2HH1 ARG 24 17.255 2.698 -6.642 218 HH21 ARG 24 1HH2 ARG 24 15.396 5.225 -8.048 219 HH22 ARG 24 2HH2 ARG 24 16.980 4.590 -7.726 220 H TYR 25 H TYR 25 9.611 6.409 -4.996 221 HA TYR 25 HA TYR 25 9.376 6.714 -2.020 222 HB2 TYR 25 2HB TYR 25 10.611 8.541 -4.102 223 HB3 TYR 25 3HB TYR 25 10.184 9.067 -2.486 224 HD1 TYR 25 1HD TYR 25 12.399 6.687 -4.354 225 HD2 TYR 25 2HD TYR 25 11.592 8.706 -0.623 226 HE1 TYR 25 1HE TYR 25 14.598 5.935 -3.472 227 HE2 TYR 25 2HE TYR 25 13.810 7.975 0.246 228 HH TYR 25 HH TYR 25 16.053 5.959 -1.688 229 HA PRO 26 HA PRO 26 5.308 8.052 -3.875 230 HB2 PRO 26 2HB PRO 26 3.655 6.672 -2.167 231 HB3 PRO 26 3HB PRO 26 4.305 5.991 -3.682 232 HG2 PRO 26 2HG PRO 26 5.306 5.581 -0.864 233 HG3 PRO 26 3HG PRO 26 5.107 4.382 -2.177 234 HD2 PRO 26 2HD PRO 26 7.513 5.546 -1.525 235 HD3 PRO 26 3HD PRO 26 7.103 5.004 -3.176 236 H ASP 27 H ASP 27 3.986 9.652 -3.005 237 HA ASP 27 HA ASP 27 4.905 10.983 -0.554 238 HB2 ASP 27 2HB ASP 27 4.264 12.148 -2.716 239 HB3 ASP 27 3HB ASP 27 2.587 11.722 -2.371 240 H MET 28 H MET 28 3.211 11.699 1.098 241 HA MET 28 HA MET 28 2.157 9.301 2.268 242 HB2 MET 28 2HB MET 28 1.661 12.204 3.044 243 HB3 MET 28 3HB MET 28 1.284 10.792 4.043 244 HG2 MET 28 2HG MET 28 4.047 11.630 3.093 245 HG3 MET 28 3HG MET 28 3.412 11.826 4.719 246 HE1 MET 28 3HE MET 28 6.201 10.608 4.183 247 HE2 MET 28 1HE MET 28 6.317 8.848 3.968 248 HE3 MET 28 2HE MET 28 5.742 9.868 2.629 249 H SER 29 H SER 29 0.540 11.757 0.295 250 HA SER 29 HA SER 29 -2.160 10.765 0.711 251 HB2 SER 29 2HB SER 29 -2.627 12.066 -1.373 252 HB3 SER 29 3HB SER 29 -1.850 13.005 -0.086 253 HG SER 29 HG SER 29 -0.869 13.372 -2.135 254 H THR 30 H THR 30 0.440 10.039 -1.653 255 HA THR 30 HA THR 30 -1.030 8.136 -3.226 256 HB THR 30 HB THR 30 1.954 8.051 -2.662 257 HG1 THR 30 1HG THR 30 0.586 9.637 -4.567 258 HG21 THR 30 1HG2 THR 30 0.314 7.278 -5.108 259 HG22 THR 30 2HG2 THR 30 1.134 6.166 -3.990 260 HG23 THR 30 3HG2 THR 30 2.090 7.260 -5.001 261 H ARG 31 H ARG 31 1.088 7.753 -0.352 262 HA ARG 31 HA ARG 31 0.791 4.911 -0.069 263 HB2 ARG 31 2HB ARG 31 1.389 7.062 2.013 264 HB3 ARG 31 3HB ARG 31 1.486 5.329 2.318 265 HG2 ARG 31 2HG ARG 31 3.197 5.110 0.503 266 HG3 ARG 31 3HG ARG 31 3.123 6.852 0.259 267 HD2 ARG 31 2HD ARG 31 3.673 6.931 2.868 268 HD3 ARG 31 3HD ARG 31 4.275 5.297 2.559 269 HE ARG 31 HE ARG 31 5.172 7.477 0.737 270 HH11 ARG 31 1HH1 ARG 31 6.159 5.566 3.503 271 HH12 ARG 31 2HH1 ARG 31 7.839 5.958 3.258 272 HH21 ARG 31 2HH2 ARG 31 7.196 7.931 0.494 273 HH22 ARG 31 1HH2 ARG 31 8.433 7.302 1.570 274 H GLU 32 H GLU 32 -1.158 7.578 1.321 275 HA GLU 32 HA GLU 32 -2.941 5.871 2.765 276 HB2 GLU 32 2HB GLU 32 -2.686 8.292 3.179 277 HB3 GLU 32 3HB GLU 32 -3.382 8.654 1.595 278 HG2 GLU 32 2HG GLU 32 -5.530 7.624 2.308 279 HG3 GLU 32 3HG GLU 32 -4.815 7.223 3.872 280 H GLU 33 H GLU 33 -3.175 7.123 -0.630 281 HA GLU 33 HA GLU 33 -5.700 5.839 -1.177 282 HB2 GLU 33 2HB GLU 33 -3.403 6.811 -2.905 283 HB3 GLU 33 3HB GLU 33 -4.702 5.864 -3.613 284 HG2 GLU 33 2HG GLU 33 -5.086 8.467 -2.085 285 HG3 GLU 33 3HG GLU 33 -5.064 8.303 -3.839 286 H ILE 34 H ILE 34 -2.310 4.584 -1.781 287 HA ILE 34 HA ILE 34 -3.435 2.087 -2.648 288 HB ILE 34 HB ILE 34 -1.266 1.152 -2.720 289 HG12 ILE 34 2HG1 ILE 34 0.761 2.599 -2.259 290 HG13 ILE 34 3HG1 ILE 34 -0.275 3.596 -1.251 291 HG21 ILE 34 1HG2 ILE 34 -2.064 2.762 -4.474 292 HG22 ILE 34 2HG2 ILE 34 -1.126 4.037 -3.664 293 HG23 ILE 34 3HG2 ILE 34 -0.302 2.631 -4.358 294 HD11 ILE 34 3HD1 ILE 34 1.180 1.785 -0.154 295 HD12 ILE 34 1HD1 ILE 34 -0.504 1.870 0.364 296 HD13 ILE 34 2HD1 ILE 34 0.019 0.605 -0.783 297 H ALA 35 H ALA 35 -2.730 3.211 0.607 298 HA ALA 35 HA ALA 35 -3.038 0.677 1.921 299 HB1 ALA 35 1HB ALA 35 -3.776 3.458 2.939 300 HB2 ALA 35 2HB ALA 35 -3.470 2.013 3.913 301 HB3 ALA 35 3HB ALA 35 -2.150 2.756 3.005 302 H VAL 36 H VAL 36 -5.447 3.195 1.009 303 HA VAL 36 HA VAL 36 -7.795 1.766 1.846 304 HB VAL 36 HB VAL 36 -7.303 3.985 -0.169 305 HG11 VAL 36 1HG1 VAL 36 -9.286 2.858 -1.016 306 HG12 VAL 36 2HG1 VAL 36 -9.994 2.814 0.616 307 HG13 VAL 36 3HG1 VAL 36 -9.740 4.364 -0.227 308 HG21 VAL 36 3HG2 VAL 36 -7.078 4.506 2.261 309 HG22 VAL 36 1HG2 VAL 36 -8.424 5.359 1.498 310 HG23 VAL 36 2HG2 VAL 36 -8.738 3.935 2.517 311 H TRP 37 H TRP 37 -6.071 1.809 -1.322 312 HA TRP 37 HA TRP 37 -7.922 0.092 -2.664 313 HB2 TRP 37 2HB TRP 37 -4.960 0.445 -3.182 314 HB3 TRP 37 3HB TRP 37 -6.125 -0.234 -4.300 315 HD1 TRP 37 1HD TRP 37 -7.751 2.760 -2.972 316 HE1 TRP 37 1HE TRP 37 -7.242 4.882 -4.337 317 HE3 TRP 37 3HE TRP 37 -3.961 0.950 -5.900 318 HZ2 TRP 37 2HZ TRP 37 -5.534 5.639 -6.519 319 HZ3 TRP 37 3HZ TRP 37 -2.896 2.407 -7.610 320 HH2 TRP 37 2HH TRP 37 -3.666 4.748 -7.924 321 H THR 38 H THR 38 -5.022 -0.689 -0.736 322 HA THR 38 HA THR 38 -5.332 -3.596 -1.173 323 HB THR 38 HB THR 38 -3.401 -3.793 0.379 324 HG1 THR 38 1HG THR 38 -3.196 -0.999 0.175 325 HG21 THR 38 1HG2 THR 38 -2.946 -1.886 -1.946 326 HG22 THR 38 2HG2 THR 38 -2.968 -3.661 -2.009 327 HG23 THR 38 3HG2 THR 38 -1.701 -2.826 -1.091 328 H ASN 39 H ASN 39 -6.727 -1.388 0.989 329 HA ASN 39 HA ASN 39 -7.817 -1.471 2.905 330 HB2 ASN 39 2HB ASN 39 -7.939 -4.503 2.779 331 HB3 ASN 39 3HB ASN 39 -9.001 -3.426 3.666 332 HD21 ASN 39 1HD2 ASN 39 -8.295 -4.816 0.538 333 HD22 ASN 39 2HD2 ASN 39 -9.724 -4.175 -0.265 334 H LEU 40 H LEU 40 -4.880 -1.634 2.859 335 HA LEU 40 HA LEU 40 -4.193 -2.786 5.516 336 HB2 LEU 40 2HB LEU 40 -2.552 -1.327 3.408 337 HB3 LEU 40 3HB LEU 40 -1.908 -1.879 4.943 338 HG LEU 40 HG LEU 40 -3.023 -3.705 2.769 339 HD11 LEU 40 1HD1 LEU 40 -0.634 -4.339 2.504 340 HD12 LEU 40 2HD1 LEU 40 -0.178 -3.100 3.691 341 HD13 LEU 40 3HD1 LEU 40 -0.907 -2.628 2.140 342 HD21 LEU 40 3HD2 LEU 40 -3.311 -4.731 4.970 343 HD22 LEU 40 1HD2 LEU 40 -1.624 -4.333 5.403 344 HD23 LEU 40 2HD2 LEU 40 -1.980 -5.505 4.116 345 H THR 41 H THR 41 -2.905 -1.315 6.984 346 HA THR 41 HA THR 41 -4.207 1.334 7.310 347 HB THR 41 HB THR 41 -2.913 1.419 9.434 348 HG1 THR 41 1HG THR 41 -1.811 -0.285 10.124 349 HG21 THR 41 1HG2 THR 41 -4.271 -0.207 10.654 350 HG22 THR 41 2HG2 THR 41 -4.652 -1.070 9.146 351 HG23 THR 41 3HG2 THR 41 -5.249 0.584 9.407 352 H GLU 42 H GLU 42 -2.966 3.303 7.383 353 HA GLU 42 HA GLU 42 -0.789 3.408 5.526 354 HB2 GLU 42 2HB GLU 42 -0.502 5.701 6.141 355 HB3 GLU 42 3HB GLU 42 -2.211 5.342 5.918 356 HG2 GLU 42 2HG GLU 42 -2.646 5.420 8.283 357 HG3 GLU 42 3HG GLU 42 -0.931 5.380 8.687 358 H ALA 43 H ALA 43 -0.784 2.880 9.010 359 HA ALA 43 HA ALA 43 2.008 3.324 9.475 360 HB1 ALA 43 1HB ALA 43 0.015 1.503 10.902 361 HB2 ALA 43 2HB ALA 43 1.597 2.014 11.527 362 HB3 ALA 43 3HB ALA 43 0.321 3.218 11.267 363 H ARG 44 H ARG 44 0.193 0.343 8.542 364 HA ARG 44 HA ARG 44 2.484 -1.412 8.384 365 HB2 ARG 44 2HB ARG 44 -0.287 -1.409 7.144 366 HB3 ARG 44 3HB ARG 44 0.917 -2.606 6.671 367 HG2 ARG 44 2HG ARG 44 1.199 -3.331 9.001 368 HG3 ARG 44 3HG ARG 44 0.025 -2.114 9.540 369 HD2 ARG 44 2HD ARG 44 -1.693 -3.164 8.047 370 HD3 ARG 44 3HD ARG 44 -0.509 -4.389 7.579 371 HE ARG 44 HE ARG 44 -0.751 -5.471 9.621 372 HH11 ARG 44 1HH2 ARG 44 -2.449 -2.401 9.918 373 HH12 ARG 44 2HH2 ARG 44 -3.282 -2.933 11.356 374 HH21 ARG 44 1HH1 ARG 44 -1.801 -6.049 11.395 375 HH22 ARG 44 2HH1 ARG 44 -2.903 -4.958 12.200 376 H VAL 45 H VAL 45 0.910 0.628 5.925 377 HA VAL 45 HA VAL 45 2.665 -0.052 3.766 378 HB VAL 45 HB VAL 45 0.929 2.371 4.340 379 HG11 VAL 45 1HG1 VAL 45 2.661 3.174 2.826 380 HG12 VAL 45 2HG1 VAL 45 2.461 1.732 1.804 381 HG13 VAL 45 3HG1 VAL 45 1.155 2.940 1.942 382 HG21 VAL 45 3HG2 VAL 45 -0.242 0.221 3.950 383 HG22 VAL 45 1HG2 VAL 45 -0.491 1.324 2.599 384 HG23 VAL 45 2HG2 VAL 45 0.665 -0.007 2.439 385 H ARG 46 H ARG 46 2.892 2.669 6.114 386 HA ARG 46 HA ARG 46 5.348 3.713 5.076 387 HB2 ARG 46 2HB ARG 46 3.663 4.878 6.499 388 HB3 ARG 46 3HB ARG 46 4.205 3.939 7.895 389 HG2 ARG 46 2HG ARG 46 6.436 4.951 7.748 390 HG3 ARG 46 3HG ARG 46 6.005 5.782 6.246 391 HD2 ARG 46 2HD ARG 46 4.674 6.250 8.951 392 HD3 ARG 46 3HD ARG 46 5.947 7.250 8.263 393 HE ARG 46 HE ARG 46 4.472 7.961 6.484 394 HH11 ARG 46 1HH2 ARG 46 2.687 6.352 9.096 395 HH12 ARG 46 2HH2 ARG 46 1.190 7.108 8.529 396 HH21 ARG 46 1HH1 ARG 46 2.446 8.798 5.957 397 HH22 ARG 46 2HH1 ARG 46 1.071 8.320 6.963 398 H VAL 47 H VAL 47 4.754 1.245 7.600 399 HA VAL 47 HA VAL 47 7.554 0.786 8.193 400 HB VAL 47 HB VAL 47 5.046 -0.864 8.617 401 HG11 VAL 47 1HG1 VAL 47 6.414 -2.331 10.098 402 HG12 VAL 47 2HG1 VAL 47 6.832 -2.519 8.396 403 HG13 VAL 47 3HG1 VAL 47 7.889 -1.568 9.466 404 HG21 VAL 47 3HG2 VAL 47 6.974 0.505 10.557 405 HG22 VAL 47 1HG2 VAL 47 5.430 1.193 10.032 406 HG23 VAL 47 2HG2 VAL 47 5.447 -0.305 10.970 407 H TRP 48 H TRP 48 5.345 -0.678 5.731 408 HA TRP 48 HA TRP 48 7.191 -2.626 4.824 409 HB2 TRP 48 2HB TRP 48 4.757 -2.503 4.251 410 HB3 TRP 48 3HB TRP 48 5.116 -1.190 3.135 411 HD1 TRP 48 1HD TRP 48 5.229 -4.921 3.512 412 HE1 TRP 48 1HE TRP 48 6.036 -6.052 1.357 413 HE3 TRP 48 3HE TRP 48 6.720 -0.763 0.896 414 HZ2 TRP 48 2HZ TRP 48 7.220 -5.280 -1.146 415 HZ3 TRP 48 3HZ TRP 48 7.729 -1.008 -1.355 416 HH2 TRP 48 2HH TRP 48 7.978 -3.246 -2.393 417 H PHE 49 H PHE 49 6.752 0.759 3.624 418 HA PHE 49 HA PHE 49 8.887 0.547 1.717 419 HB2 PHE 49 2HB PHE 49 7.491 2.909 3.005 420 HB3 PHE 49 3HB PHE 49 8.781 3.118 1.835 421 HD1 PHE 49 1HD PHE 49 8.516 1.554 -0.384 422 HD2 PHE 49 2HD PHE 49 5.299 3.009 2.092 423 HE1 PHE 49 1HE PHE 49 6.919 1.240 -2.261 424 HE2 PHE 49 2HE PHE 49 3.719 2.701 0.198 425 HZ PHE 49 HZ PHE 49 4.520 1.773 -1.953 426 H LYS 50 H LYS 50 9.040 1.213 5.179 427 HA LYS 50 HA LYS 50 11.878 1.950 5.157 428 HB2 LYS 50 2HB LYS 50 10.275 2.688 6.880 429 HB3 LYS 50 3HB LYS 50 10.011 1.014 7.377 430 HG2 LYS 50 2HG LYS 50 12.417 0.831 8.009 431 HG3 LYS 50 3HG LYS 50 12.661 2.523 7.563 432 HD2 LYS 50 2HD LYS 50 10.688 1.504 9.656 433 HD3 LYS 50 3HD LYS 50 12.305 2.082 10.041 434 HE2 LYS 50 2HE LYS 50 10.115 3.771 8.738 435 HE3 LYS 50 3HE LYS 50 10.467 3.736 10.465 436 HZ1 LYS 50 3HZ LYS 50 12.708 4.557 9.977 437 HZ2 LYS 50 1HZ LYS 50 11.585 5.596 9.418 438 HZ3 LYS 50 2HZ LYS 50 12.382 4.628 8.375 439 H ASN 51 H ASN 51 10.047 -1.045 5.826 440 HA ASN 51 HA ASN 51 12.226 -2.783 6.372 441 HB2 ASN 51 2HB ASN 51 9.799 -3.177 6.825 442 HB3 ASN 51 3HB ASN 51 9.507 -3.333 5.095 443 HD21 ASN 51 1HD2 ASN 51 8.544 -5.402 5.869 444 HD22 ASN 51 2HD2 ASN 51 9.621 -6.774 6.038 445 H ARG 52 H ARG 52 10.654 -1.981 3.253 446 HA ARG 52 HA ARG 52 12.218 -3.572 1.518 447 HB2 ARG 52 2HB ARG 52 10.090 -2.240 1.038 448 HB3 ARG 52 3HB ARG 52 11.075 -0.785 0.976 449 HG2 ARG 52 2HG ARG 52 10.588 -1.556 -1.250 450 HG3 ARG 52 3HG ARG 52 12.326 -1.754 -0.975 451 HD2 ARG 52 2HD ARG 52 12.063 -4.144 -0.648 452 HD3 ARG 52 3HD ARG 52 10.296 -3.982 -0.568 453 HE ARG 52 HE ARG 52 11.360 -3.040 -3.098 454 HH11 ARG 52 1HH1 ARG 52 10.415 -6.009 -1.424 455 HH12 ARG 52 2HH1 ARG 52 9.979 -6.767 -2.960 456 HH21 ARG 52 1HH2 ARG 52 10.841 -4.259 -4.982 457 HH22 ARG 52 2HH2 ARG 52 10.180 -5.875 -4.742 458 H ARG 53 H ARG 53 12.892 -0.287 2.721 459 HA ARG 53 HA ARG 53 15.429 0.029 1.325 460 HB2 ARG 53 2HB ARG 53 14.095 1.484 3.637 461 HB3 ARG 53 3HB ARG 53 15.702 1.925 3.040 462 HG2 ARG 53 2HG ARG 53 14.892 2.458 0.861 463 HG3 ARG 53 3HG ARG 53 13.319 1.712 1.169 464 HD2 ARG 53 2HD ARG 53 12.791 3.449 2.851 465 HD3 ARG 53 3HD ARG 53 14.392 4.162 2.626 466 HE ARG 53 HE ARG 53 13.640 5.244 0.750 467 HH11 ARG 53 1HH1 ARG 53 11.342 2.610 1.266 468 HH12 ARG 53 2HH1 ARG 53 10.403 3.106 -0.132 469 HH21 ARG 53 1HH2 ARG 53 12.297 5.800 -0.933 470 HH22 ARG 53 2HH2 ARG 53 10.951 4.767 -1.334 471 H ALA 54 H ALA 54 14.624 -1.075 4.638 472 HA ALA 54 HA ALA 54 17.315 -1.441 5.499 473 HB1 ALA 54 1HB ALA 54 15.349 -1.435 6.994 474 HB2 ALA 54 2HB ALA 54 14.800 -2.976 6.294 475 HB3 ALA 54 3HB ALA 54 16.321 -2.904 7.205 476 H LYS 55 H LYS 55 15.119 -3.741 3.812 477 HA LYS 55 HA LYS 55 17.105 -5.850 3.590 478 HB2 LYS 55 2HB LYS 55 14.401 -5.326 2.307 479 HB3 LYS 55 3HB LYS 55 15.396 -6.722 1.861 480 HG2 LYS 55 2HG LYS 55 15.454 -7.540 4.132 481 HG3 LYS 55 3HG LYS 55 14.620 -6.097 4.738 482 HD2 LYS 55 2HD LYS 55 12.572 -6.696 3.618 483 HD3 LYS 55 3HD LYS 55 13.369 -7.984 2.706 484 HE2 LYS 55 2HE LYS 55 12.010 -8.880 4.554 485 HE3 LYS 55 3HE LYS 55 13.714 -9.315 4.697 486 HZ1 LYS 55 3HZ LYS 55 13.986 -7.649 6.396 487 HZ2 LYS 55 1HZ LYS 55 12.687 -8.540 6.813 488 HZ3 LYS 55 2HZ LYS 55 12.487 -7.042 6.169 489 H TRP 56 H TRP 56 16.379 -3.098 1.496 490 HA TRP 56 HA TRP 56 18.131 -3.925 -0.663 491 HB2 TRP 56 2HB TRP 56 16.472 -2.270 -1.095 492 HB3 TRP 56 3HB TRP 56 16.997 -1.275 0.253 493 HD1 TRP 56 1HD TRP 56 18.177 -2.313 -3.252 494 HE1 TRP 56 1HE TRP 56 19.768 -0.517 -4.174 495 HE3 TRP 56 3HE TRP 56 18.509 0.679 0.895 496 HZ2 TRP 56 2HZ TRP 56 21.040 1.900 -3.223 497 HZ3 TRP 56 3HZ TRP 56 19.927 2.720 0.860 498 HH2 TRP 56 2HH TRP 56 21.188 3.339 -1.190 499 H ARG 57 H ARG 57 18.653 -1.845 2.220 500 HA ARG 57 HA ARG 57 21.446 -1.370 1.643 501 HB2 ARG 57 2HB ARG 57 19.857 0.120 2.919 502 HB3 ARG 57 3HB ARG 57 19.967 -0.999 4.283 503 HG2 ARG 57 2HG ARG 57 22.402 -0.560 4.447 504 HG3 ARG 57 3HG ARG 57 22.326 0.468 3.000 505 HD2 ARG 57 2HD ARG 57 20.756 1.994 4.198 506 HD3 ARG 57 3HD ARG 57 20.876 0.974 5.633 507 HE ARG 57 HE ARG 57 23.211 1.585 5.897 508 HH11 ARG 57 1HH1 ARG 57 21.610 3.664 3.546 509 HH12 ARG 57 2HH1 ARG 57 22.850 4.877 3.705 510 HH21 ARG 57 1HH2 ARG 57 24.638 3.047 6.033 511 HH22 ARG 57 2HH2 ARG 57 24.559 4.558 5.124 512 H LYS 58 H LYS 58 19.826 -3.800 3.576 513 HA LYS 58 HA LYS 58 20.513 -5.638 4.707 514 HB2 LYS 58 2HB LYS 58 21.618 -7.253 3.296 515 HB3 LYS 58 3HB LYS 58 20.432 -6.316 2.405 516 HG2 LYS 58 2HG LYS 58 22.217 -4.966 1.361 517 HG3 LYS 58 3HG LYS 58 23.440 -5.836 2.304 518 HD2 LYS 58 2HD LYS 58 22.787 -7.952 1.190 519 HD3 LYS 58 3HD LYS 58 21.546 -7.078 0.261 520 HE2 LYS 58 2HE LYS 58 23.313 -5.637 -0.731 521 HE3 LYS 58 3HE LYS 58 24.547 -6.510 0.187 522 HZ1 LYS 58 3HZ LYS 58 22.782 -7.726 -1.875 523 HZ2 LYS 58 1HZ LYS 58 23.923 -8.533 -1.026 524 HZ3 LYS 58 2HZ LYS 58 24.360 -7.367 -2.078 525 H ARG 59 H ARG 59 21.943 -3.489 5.751 526 HA ARG 59 HA ARG 59 23.727 -2.811 6.938 527 HB2 ARG 59 2HB ARG 59 22.814 -4.957 8.165 528 HB3 ARG 59 3HB ARG 59 24.347 -5.658 7.684 529 HG2 ARG 59 2HG ARG 59 24.693 -4.910 9.857 530 HG3 ARG 59 3HG ARG 59 25.471 -3.653 8.909 531 HD2 ARG 59 2HD ARG 59 22.615 -3.447 9.964 532 HD3 ARG 59 3HD ARG 59 24.027 -2.951 10.905 533 HE ARG 59 HE ARG 59 24.316 -1.569 8.504 534 HH11 ARG 59 1HH2 ARG 59 21.851 -1.577 11.005 535 HH12 ARG 59 2HH2 ARG 59 21.419 0.081 10.682 536 HH21 ARG 59 1HH1 ARG 59 23.766 0.467 8.167 537 HH22 ARG 59 2HH1 ARG 59 22.498 1.230 9.112 538 H GLU 60 H GLU 60 24.265 -3.520 4.136 539 HA GLU 60 HA GLU 60 27.222 -3.881 4.144 540 HB2 GLU 60 2HB GLU 60 25.661 -5.161 2.591 541 HB3 GLU 60 3HB GLU 60 25.289 -3.626 1.810 542 HG2 GLU 60 2HG GLU 60 26.901 -4.794 0.488 543 HG3 GLU 60 3HG GLU 60 27.719 -3.413 1.186 544 H GLU 61 H GLU 61 24.856 -1.464 4.184 545 HA GLU 61 HA GLU 61 24.788 0.762 4.099 546 HB2 GLU 61 2HB GLU 61 27.804 0.911 4.132 547 HB3 GLU 61 3HB GLU 61 26.640 2.101 4.689 548 HG2 GLU 61 2HG GLU 61 27.365 -0.541 5.989 549 HG3 GLU 61 3HG GLU 61 27.579 1.085 6.625 550 H PHE 62 H PHE 62 25.578 2.839 2.962 551 HA PHE 62 HA PHE 62 26.139 2.407 0.095 552 HB2 PHE 62 2HB PHE 62 23.652 2.233 0.451 553 HB3 PHE 62 3HB PHE 62 23.663 3.873 1.083 554 HD1 PHE 62 1HD PHE 62 24.531 1.820 -1.940 555 HD2 PHE 62 2HD PHE 62 23.486 5.725 -0.432 556 HE1 PHE 62 1HE PHE 62 24.331 2.669 -4.267 557 HE2 PHE 62 2HE PHE 62 23.286 6.568 -2.758 558 HZ PHE 62 HZ PHE 62 23.709 5.043 -4.679 559 H ILE 63 H ILE 63 26.576 4.423 -1.049 560 HA ILE 63 HA ILE 63 28.444 6.017 0.434 561 HB ILE 63 HB ILE 63 28.808 7.207 -1.696 562 HG12 ILE 63 2HG1 ILE 63 26.675 5.362 -2.872 563 HG13 ILE 63 3HG1 ILE 63 26.462 7.089 -2.573 564 HG21 ILE 63 1HG2 ILE 63 28.769 4.175 -2.016 565 HG22 ILE 63 2HG2 ILE 63 29.858 5.329 -2.812 566 HG23 ILE 63 3HG2 ILE 63 29.969 5.081 -1.070 567 HD11 ILE 63 3HD1 ILE 63 26.958 6.766 -4.902 568 HD12 ILE 63 1HD1 ILE 63 28.344 7.575 -4.146 569 HD13 ILE 63 2HD1 ILE 63 28.419 5.839 -4.537 570 H VAL 64 H VAL 64 28.590 8.251 0.700 571 HA VAL 64 HA VAL 64 26.241 9.970 0.387 572 HB VAL 64 HB VAL 64 25.843 8.816 2.543 573 HG11 VAL 64 1HG1 VAL 64 28.176 8.486 3.305 574 HG12 VAL 64 2HG1 VAL 64 28.333 10.236 3.572 575 HG13 VAL 64 3HG1 VAL 64 27.174 9.287 4.521 576 HG21 VAL 64 3HG2 VAL 64 25.268 10.742 3.842 577 HG22 VAL 64 1HG2 VAL 64 26.418 11.767 2.970 578 HG23 VAL 64 2HG2 VAL 64 24.986 11.110 2.133 579 H THR 65 H THR 65 26.744 12.208 0.514 580 HA THR 65 HA THR 65 29.335 12.964 -0.377 581 HB THR 65 HB THR 65 27.246 14.816 0.820 582 HG1 THR 65 1HG THR 65 26.368 14.872 -1.251 583 HG21 THR 65 1HG2 THR 65 29.308 15.192 -1.406 584 HG22 THR 65 2HG2 THR 65 29.356 15.938 0.208 585 HG23 THR 65 3HG2 THR 65 28.079 16.385 -0.926 586 H ASP 66 H ASP 66 31.080 13.895 0.611 587 HA ASP 66 HA ASP 66 31.450 13.494 3.462 588 HB2 ASP 66 2HB ASP 66 33.724 14.046 3.079 589 HB3 ASP 66 3HB ASP 66 33.189 12.986 1.789 Start of MODEL 4 1 H1 GLY -1 1H GLY -1 -10.104 -23.685 11.189 2 H2 GLY -1 2H GLY -1 -11.220 -24.046 10.047 3 H3 GLY -1 3H GLY -1 -11.362 -22.669 10.923 4 HA2 GLY -1 2HA GLY -1 -10.567 -22.161 8.707 5 HA3 GLY -1 3HA GLY -1 -9.375 -21.745 9.952 6 H SER 0 H SER 0 -8.974 -22.401 7.104 7 HA SER 0 HA SER 0 -8.019 -25.096 6.860 8 HB2 SER 0 2HB SER 0 -7.696 -22.780 4.928 9 HB3 SER 0 3HB SER 0 -7.569 -24.511 4.557 10 HG SER 0 HG SER 0 -9.639 -23.684 4.032 11 H GLN 1 H GLN 1 -6.462 -23.525 8.838 12 HA GLN 1 HA GLN 1 -4.361 -23.037 9.513 13 HB2 GLN 1 2HB GLN 1 -3.679 -25.467 7.827 14 HB3 GLN 1 3HB GLN 1 -2.687 -24.782 9.120 15 HG2 GLN 1 2HG GLN 1 -4.514 -25.210 10.755 16 HG3 GLN 1 3HG GLN 1 -5.481 -25.953 9.476 17 HE21 GLN 1 1HE2 GLN 1 -2.417 -26.312 11.340 18 HE22 GLN 1 2HE2 GLN 1 -2.290 -28.039 11.032 19 H ARG 2 H ARG 2 -5.043 -21.310 7.527 20 HA ARG 2 HA ARG 2 -2.596 -20.846 5.875 21 HB2 ARG 2 2HB ARG 2 -5.351 -19.547 5.792 22 HB3 ARG 2 3HB ARG 2 -3.985 -19.092 4.766 23 HG2 ARG 2 2HG ARG 2 -3.910 -21.376 3.811 24 HG3 ARG 2 3HG ARG 2 -5.286 -21.850 4.825 25 HD2 ARG 2 2HD ARG 2 -6.688 -20.128 3.744 26 HD3 ARG 2 3HD ARG 2 -5.324 -19.673 2.701 27 HE ARG 2 HE ARG 2 -5.667 -22.439 2.366 28 HH11 ARG 2 1HH1 ARG 2 -7.605 -19.601 1.691 29 HH12 ARG 2 2HH1 ARG 2 -8.450 -20.378 0.380 30 HH21 ARG 2 1HH2 ARG 2 -6.783 -23.370 0.686 31 HH22 ARG 2 2HH2 ARG 2 -7.989 -22.456 -0.170 32 H ARG 3 H ARG 3 -1.556 -18.838 5.868 33 HA ARG 3 HA ARG 3 -0.273 -17.272 6.954 34 HB2 ARG 3 2HB ARG 3 -3.064 -16.344 7.695 35 HB3 ARG 3 3HB ARG 3 -1.634 -15.372 8.001 36 HG2 ARG 3 2HG ARG 3 -2.090 -16.369 5.185 37 HG3 ARG 3 3HG ARG 3 -3.085 -15.062 5.812 38 HD2 ARG 3 2HD ARG 3 -1.183 -14.139 4.603 39 HD3 ARG 3 3HD ARG 3 -1.145 -13.687 6.299 40 HE ARG 3 HE ARG 3 0.850 -14.778 6.578 41 HH11 ARG 3 1HH2 ARG 3 -0.344 -15.719 3.416 42 HH12 ARG 3 2HH2 ARG 3 1.117 -16.585 3.032 43 HH21 ARG 3 1HH1 ARG 3 2.533 -16.098 6.135 44 HH22 ARG 3 2HH1 ARG 3 2.737 -16.758 4.526 45 H GLN 4 H GLN 4 -0.034 -19.541 8.264 46 HA GLN 4 HA GLN 4 -0.395 -19.395 11.114 47 HB2 GLN 4 2HB GLN 4 1.705 -20.893 9.486 48 HB3 GLN 4 3HB GLN 4 1.323 -21.185 11.181 49 HG2 GLN 4 2HG GLN 4 -0.575 -21.612 8.831 50 HG3 GLN 4 3HG GLN 4 0.302 -22.865 9.698 51 HE21 GLN 4 1HE2 GLN 4 -0.206 -23.067 12.134 52 HE22 GLN 4 2HE2 GLN 4 -1.866 -22.722 12.600 53 H ARG 5 H ARG 5 2.086 -18.118 8.978 54 HA ARG 5 HA ARG 5 2.991 -16.271 11.058 55 HB2 ARG 5 2HB ARG 5 5.359 -16.650 10.724 56 HB3 ARG 5 3HB ARG 5 4.608 -18.097 11.360 57 HG2 ARG 5 2HG ARG 5 4.947 -19.339 9.439 58 HG3 ARG 5 3HG ARG 5 4.890 -17.949 8.354 59 HD2 ARG 5 2HD ARG 5 7.173 -18.499 10.279 60 HD3 ARG 5 3HD ARG 5 7.164 -18.967 8.569 61 HE ARG 5 HE ARG 5 6.609 -16.317 8.360 62 HH11 ARG 5 1HH1 ARG 5 9.237 -17.871 10.092 63 HH12 ARG 5 2HH1 ARG 5 10.238 -16.447 9.989 64 HH21 ARG 5 1HH2 ARG 5 7.861 -14.613 8.273 65 HH22 ARG 5 2HH2 ARG 5 9.476 -14.617 8.957 66 H THR 6 H THR 6 4.457 -14.619 10.122 67 HA THR 6 HA THR 6 4.798 -12.849 8.787 68 HB THR 6 HB THR 6 4.254 -14.580 6.368 69 HG1 THR 6 1HG THR 6 6.447 -14.970 6.410 70 HG21 THR 6 1HG2 THR 6 5.971 -12.092 6.782 71 HG22 THR 6 2HG2 THR 6 4.473 -12.192 5.824 72 HG23 THR 6 3HG2 THR 6 5.910 -13.070 5.299 73 H HIS 7 H HIS 7 3.661 -11.059 8.308 74 HA HIS 7 HA HIS 7 0.733 -11.313 8.177 75 HB2 HIS 7 2HB HIS 7 1.979 -9.780 9.761 76 HB3 HIS 7 3HB HIS 7 2.383 -8.778 8.365 77 HD2 HIS 7 2HD HIS 7 0.945 -6.706 9.272 78 HE1 HIS 7 1HE HIS 7 -2.909 -8.526 9.074 79 HE2 HIS 7 2HE HIS 7 -1.664 -6.336 9.422 80 H PHE 8 H PHE 8 -0.481 -9.796 6.849 81 HA PHE 8 HA PHE 8 -1.418 -9.264 4.910 82 HB2 PHE 8 2HB PHE 8 1.296 -8.792 3.706 83 HB3 PHE 8 3HB PHE 8 -0.227 -8.066 3.243 84 HD1 PHE 8 1HD PHE 8 -1.452 -6.664 5.177 85 HD2 PHE 8 2HD PHE 8 2.759 -7.588 5.090 86 HE1 PHE 8 1HE PHE 8 -0.999 -4.784 6.737 87 HE2 PHE 8 2HE PHE 8 3.210 -5.694 6.627 88 HZ PHE 8 HZ PHE 8 1.338 -4.291 7.454 89 H THR 9 H THR 9 -2.024 -9.928 2.768 90 HA THR 9 HA THR 9 -1.494 -12.784 2.300 91 HB THR 9 HB THR 9 -3.156 -12.745 0.633 92 HG1 THR 9 1HG THR 9 -4.134 -10.755 0.017 93 HG21 THR 9 1HG2 THR 9 -4.159 -10.805 2.754 94 HG22 THR 9 2HG2 THR 9 -4.015 -12.564 2.977 95 HG23 THR 9 3HG2 THR 9 -5.120 -11.913 1.755 96 H SER 10 H SER 10 -0.832 -13.667 0.188 97 HA SER 10 HA SER 10 1.495 -12.536 -0.943 98 HB2 SER 10 2HB SER 10 -0.486 -14.397 -2.313 99 HB3 SER 10 3HB SER 10 1.229 -14.175 -2.715 100 HG SER 10 HG SER 10 0.883 -16.032 -1.403 101 H GLN 11 H GLN 11 -1.915 -12.008 -1.817 102 HA GLN 11 HA GLN 11 -1.368 -10.573 -4.284 103 HB2 GLN 11 2HB GLN 11 -3.840 -10.684 -2.505 104 HB3 GLN 11 3HB GLN 11 -3.756 -9.882 -4.078 105 HG2 GLN 11 2HG GLN 11 -3.172 -12.046 -5.159 106 HG3 GLN 11 3HG GLN 11 -3.298 -12.863 -3.597 107 HE21 GLN 11 1HE2 GLN 11 -5.210 -11.047 -6.057 108 HE22 GLN 11 2HE2 GLN 11 -6.746 -11.736 -5.550 109 H GLN 12 H GLN 12 -2.005 -9.528 -0.881 110 HA GLN 12 HA GLN 12 -1.836 -6.700 -1.394 111 HB2 GLN 12 2HB GLN 12 -1.237 -8.378 1.075 112 HB3 GLN 12 3HB GLN 12 -1.149 -6.614 1.055 113 HG2 GLN 12 2HG GLN 12 -3.514 -6.466 0.418 114 HG3 GLN 12 3HG GLN 12 -3.668 -8.216 0.431 115 HE21 GLN 12 2HE2 GLN 12 -4.309 -5.552 2.280 116 HE22 GLN 12 1HE2 GLN 12 -4.167 -6.269 3.884 117 H LEU 13 H LEU 13 0.688 -9.061 -0.374 118 HA LEU 13 HA LEU 13 2.844 -7.191 -0.318 119 HB2 LEU 13 2HB LEU 13 2.765 -10.206 -0.736 120 HB3 LEU 13 3HB LEU 13 4.251 -9.301 -0.462 121 HG LEU 13 HG LEU 13 1.927 -9.325 1.518 122 HD11 LEU 13 1HD1 LEU 13 3.234 -10.907 2.833 123 HD12 LEU 13 2HD1 LEU 13 4.487 -10.965 1.567 124 HD13 LEU 13 3HD1 LEU 13 2.852 -11.592 1.248 125 HD21 LEU 13 3HD2 LEU 13 3.680 -8.569 3.116 126 HD22 LEU 13 1HD2 LEU 13 3.353 -7.395 1.837 127 HD23 LEU 13 2HD2 LEU 13 4.819 -8.416 1.760 128 H GLN 14 H GLN 14 1.671 -9.254 -3.010 129 HA GLN 14 HA GLN 14 3.660 -8.431 -4.897 130 HB2 GLN 14 2HB GLN 14 2.264 -10.441 -5.121 131 HB3 GLN 14 3HB GLN 14 0.818 -9.439 -5.328 132 HG2 GLN 14 2HG GLN 14 1.736 -8.530 -7.434 133 HG3 GLN 14 3HG GLN 14 3.246 -9.417 -7.180 134 HE21 GLN 14 1HE2 GLN 14 -0.306 -9.895 -7.699 135 HE22 GLN 14 2HE2 GLN 14 -0.105 -11.478 -8.438 136 H GLU 15 H GLU 15 0.394 -7.030 -4.161 137 HA GLU 15 HA GLU 15 0.630 -5.048 -6.252 138 HB2 GLU 15 2HB GLU 15 -1.509 -5.961 -5.266 139 HB3 GLU 15 3HB GLU 15 -1.190 -4.994 -3.827 140 HG2 GLU 15 2HG GLU 15 -2.754 -3.823 -5.260 141 HG3 GLU 15 3HG GLU 15 -1.246 -2.925 -5.230 142 H LEU 16 H LEU 16 1.440 -4.981 -2.764 143 HA LEU 16 HA LEU 16 2.163 -2.199 -2.620 144 HB2 LEU 16 2HB LEU 16 3.091 -4.670 -1.108 145 HB3 LEU 16 3HB LEU 16 3.628 -3.046 -0.704 146 HG LEU 16 HG LEU 16 0.671 -3.738 -0.733 147 HD11 LEU 16 1HD1 LEU 16 2.570 -3.856 1.650 148 HD12 LEU 16 2HD1 LEU 16 1.867 -5.271 0.836 149 HD13 LEU 16 3HD1 LEU 16 0.816 -4.122 1.667 150 HD21 LEU 16 3HD2 LEU 16 1.331 -1.325 -0.711 151 HD22 LEU 16 1HD2 LEU 16 2.232 -1.619 0.799 152 HD23 LEU 16 2HD2 LEU 16 0.468 -1.831 0.744 153 H GLU 17 H GLU 17 4.109 -5.116 -3.472 154 HA GLU 17 HA GLU 17 6.517 -3.657 -4.088 155 HB2 GLU 17 2HB GLU 17 6.485 -6.045 -3.592 156 HB3 GLU 17 3HB GLU 17 5.526 -6.376 -5.042 157 HG2 GLU 17 2HG GLU 17 7.344 -5.706 -6.493 158 HG3 GLU 17 3HG GLU 17 8.262 -5.048 -5.136 159 H ALA 18 H ALA 18 3.806 -4.719 -6.222 160 HA ALA 18 HA ALA 18 4.905 -3.671 -8.619 161 HB1 ALA 18 1HB ALA 18 3.011 -5.258 -8.520 162 HB2 ALA 18 2HB ALA 18 1.980 -3.987 -7.819 163 HB3 ALA 18 3HB ALA 18 2.609 -3.818 -9.470 164 H THR 19 H THR 19 2.780 -2.039 -6.170 165 HA THR 19 HA THR 19 2.732 0.382 -7.725 166 HB THR 19 HB THR 19 1.105 -0.524 -5.866 167 HG1 THR 19 1HG THR 19 1.547 2.230 -6.283 168 HG21 THR 19 1HG2 THR 19 2.608 1.595 -4.297 169 HG22 THR 19 2HG2 THR 19 2.590 -0.154 -3.934 170 HG23 THR 19 3HG2 THR 19 1.092 0.779 -3.861 171 H PHE 20 H PHE 20 4.963 -0.719 -5.192 172 HA PHE 20 HA PHE 20 6.438 1.756 -4.995 173 HB2 PHE 20 2HB PHE 20 6.684 -0.046 -3.366 174 HB3 PHE 20 3HB PHE 20 7.242 -1.153 -4.605 175 HD1 PHE 20 2HD PHE 20 8.146 1.988 -2.771 176 HD2 PHE 20 1HD PHE 20 9.552 -1.262 -5.233 177 HE1 PHE 20 2HE PHE 20 10.487 2.681 -2.344 178 HE2 PHE 20 1HE PHE 20 11.900 -0.558 -4.806 179 HZ PHE 20 HZ PHE 20 12.364 1.412 -3.363 180 H GLN 21 H GLN 21 6.686 -1.038 -7.247 181 HA GLN 21 HA GLN 21 8.907 0.040 -8.748 182 HB2 GLN 21 2HB GLN 21 6.829 -2.095 -9.333 183 HB3 GLN 21 3HB GLN 21 8.128 -1.681 -10.460 184 HG2 GLN 21 2HG GLN 21 9.839 -2.272 -8.843 185 HG3 GLN 21 3HG GLN 21 8.645 -2.551 -7.582 186 HE21 GLN 21 1HE2 GLN 21 10.278 -4.617 -7.885 187 HE22 GLN 21 2HE2 GLN 21 9.515 -5.907 -8.804 188 H ARG 22 H ARG 22 5.357 0.342 -9.198 189 HA ARG 22 HA ARG 22 5.508 1.895 -11.647 190 HB2 ARG 22 2HB ARG 22 3.363 1.686 -9.495 191 HB3 ARG 22 3HB ARG 22 3.181 2.641 -10.965 192 HG2 ARG 22 2HG ARG 22 3.524 0.606 -12.350 193 HG3 ARG 22 3HG ARG 22 3.578 -0.380 -10.894 194 HD2 ARG 22 2HD ARG 22 1.242 1.309 -11.870 195 HD3 ARG 22 3HD ARG 22 1.355 -0.442 -11.943 196 HE ARG 22 HE ARG 22 0.980 1.234 -9.490 197 HH11 ARG 22 1HH1 ARG 22 0.753 -2.048 -10.847 198 HH12 ARG 22 2HH1 ARG 22 -0.082 -2.578 -9.378 199 HH21 ARG 22 1HH2 ARG 22 0.012 0.291 -7.702 200 HH22 ARG 22 2HH2 ARG 22 -0.476 -1.406 -7.839 201 H ASN 23 H ASN 23 5.470 2.864 -8.219 202 HA ASN 23 HA ASN 23 6.317 5.617 -8.998 203 HB2 ASN 23 2HB ASN 23 3.816 5.452 -8.759 204 HB3 ASN 23 3HB ASN 23 4.037 4.975 -7.077 205 HD21 ASN 23 1HD2 ASN 23 5.426 6.593 -5.760 206 HD22 ASN 23 2HD2 ASN 23 5.139 8.303 -6.112 207 H ARG 24 H ARG 24 8.415 4.982 -8.299 208 HA ARG 24 HA ARG 24 9.029 4.374 -5.539 209 HB2 ARG 24 2HB ARG 24 11.330 5.025 -6.106 210 HB3 ARG 24 3HB ARG 24 10.652 3.876 -7.251 211 HG2 ARG 24 2HG ARG 24 10.288 5.651 -8.909 212 HG3 ARG 24 3HG ARG 24 10.821 6.881 -7.751 213 HD2 ARG 24 2HD ARG 24 13.055 5.768 -7.643 214 HD3 ARG 24 3HD ARG 24 12.509 4.603 -8.866 215 HE ARG 24 HE ARG 24 12.068 7.203 -9.906 216 HH11 ARG 24 1HH1 ARG 24 14.841 5.217 -9.107 217 HH12 ARG 24 2HH1 ARG 24 15.866 6.024 -10.261 218 HH21 ARG 24 1HH2 ARG 24 13.427 8.184 -11.363 219 HH22 ARG 24 2HH2 ARG 24 15.078 7.656 -11.506 220 H TYR 25 H TYR 25 10.118 5.765 -4.029 221 HA TYR 25 HA TYR 25 9.853 7.407 -2.484 222 HB2 TYR 25 2HB TYR 25 10.268 9.231 -4.867 223 HB3 TYR 25 3HB TYR 25 10.555 9.628 -3.183 224 HD1 TYR 25 1HD TYR 25 12.417 8.503 -1.906 225 HD2 TYR 25 2HD TYR 25 11.939 8.109 -6.175 226 HE1 TYR 25 1HE TYR 25 14.820 7.866 -2.121 227 HE2 TYR 25 2HE TYR 25 14.345 7.483 -6.386 228 HH TYR 25 HH TYR 25 16.530 7.341 -3.551 229 HA PRO 26 HA PRO 26 5.404 8.511 -3.706 230 HB2 PRO 26 2HB PRO 26 3.982 6.880 -2.026 231 HB3 PRO 26 3HB PRO 26 4.565 6.356 -3.633 232 HG2 PRO 26 2HG PRO 26 5.850 5.870 -0.931 233 HG3 PRO 26 3HG PRO 26 5.541 4.703 -2.254 234 HD2 PRO 26 2HD PRO 26 7.974 5.898 -1.903 235 HD3 PRO 26 3HD PRO 26 7.328 5.510 -3.524 236 H ASP 27 H ASP 27 4.181 10.023 -2.621 237 HA ASP 27 HA ASP 27 5.263 11.169 -0.161 238 HB2 ASP 27 2HB ASP 27 4.392 12.422 -2.212 239 HB3 ASP 27 3HB ASP 27 2.767 11.962 -1.703 240 H MET 28 H MET 28 3.681 11.787 1.636 241 HA MET 28 HA MET 28 2.697 9.422 2.890 242 HB2 MET 28 2HB MET 28 2.343 12.391 3.432 243 HB3 MET 28 3HB MET 28 1.534 11.177 4.412 244 HG2 MET 28 2HG MET 28 3.522 11.814 5.529 245 HG3 MET 28 3HG MET 28 3.699 10.148 5.001 246 HE1 MET 28 3HE MET 28 6.835 10.106 2.914 247 HE2 MET 28 1HE MET 28 5.965 9.343 4.263 248 HE3 MET 28 2HE MET 28 5.166 9.547 2.689 249 H SER 29 H SER 29 0.917 11.890 1.007 250 HA SER 29 HA SER 29 -1.708 10.721 1.418 251 HB2 SER 29 2HB SER 29 -2.311 12.165 -0.539 252 HB3 SER 29 3HB SER 29 -1.544 13.034 0.804 253 HG SER 29 HG SER 29 -0.650 13.623 -1.236 254 H THR 30 H THR 30 0.811 10.342 -1.132 255 HA THR 30 HA THR 30 -0.629 8.581 -2.838 256 HB THR 30 HB THR 30 2.346 8.379 -2.270 257 HG1 THR 30 1HG THR 30 1.044 10.200 -4.000 258 HG21 THR 30 1HG2 THR 30 2.483 7.867 -4.689 259 HG22 THR 30 2HG2 THR 30 0.710 7.929 -4.797 260 HG23 THR 30 3HG2 THR 30 1.504 6.679 -3.815 261 H ARG 31 H ARG 31 1.472 7.862 -0.018 262 HA ARG 31 HA ARG 31 1.165 5.005 -0.060 263 HB2 ARG 31 2HB ARG 31 1.744 6.903 2.260 264 HB3 ARG 31 3HB ARG 31 1.866 5.143 2.350 265 HG2 ARG 31 2HG ARG 31 3.645 5.099 0.681 266 HG3 ARG 31 3HG ARG 31 3.456 6.824 0.379 267 HD2 ARG 31 2HD ARG 31 3.968 7.098 2.943 268 HD3 ARG 31 3HD ARG 31 4.614 5.453 2.803 269 HE ARG 31 HE ARG 31 5.509 7.544 0.860 270 HH11 ARG 31 1HH2 ARG 31 6.503 5.687 3.674 271 HH12 ARG 31 2HH2 ARG 31 8.174 6.107 3.431 272 HH21 ARG 31 1HH1 ARG 31 7.526 8.032 0.634 273 HH22 ARG 31 2HH1 ARG 31 8.762 7.423 1.719 274 H GLU 32 H GLU 32 -0.774 7.526 1.588 275 HA GLU 32 HA GLU 32 -2.552 5.606 2.813 276 HB2 GLU 32 2HB GLU 32 -2.638 8.603 2.366 277 HB3 GLU 32 3HB GLU 32 -4.016 7.739 3.061 278 HG2 GLU 32 2HG GLU 32 -2.640 6.844 4.866 279 HG3 GLU 32 3HG GLU 32 -1.184 7.541 4.169 280 H GLU 33 H GLU 33 -2.717 7.234 -0.382 281 HA GLU 33 HA GLU 33 -5.357 6.185 -0.992 282 HB2 GLU 33 2HB GLU 33 -3.087 7.128 -2.777 283 HB3 GLU 33 3HB GLU 33 -4.626 6.502 -3.388 284 HG2 GLU 33 2HG GLU 33 -5.859 8.230 -2.112 285 HG3 GLU 33 3HG GLU 33 -4.339 8.920 -1.555 286 H ILE 34 H ILE 34 -2.029 4.895 -1.757 287 HA ILE 34 HA ILE 34 -3.184 2.510 -2.893 288 HB ILE 34 HB ILE 34 -1.007 1.552 -2.991 289 HG12 ILE 34 2HG1 ILE 34 0.995 3.091 -2.341 290 HG13 ILE 34 3HG1 ILE 34 -0.131 3.812 -1.202 291 HG21 ILE 34 1HG2 ILE 34 -1.727 3.279 -4.642 292 HG22 ILE 34 2HG2 ILE 34 -0.857 4.508 -3.695 293 HG23 ILE 34 3HG2 ILE 34 0.027 3.178 -4.456 294 HD11 ILE 34 3HD1 ILE 34 1.324 2.092 -0.204 295 HD12 ILE 34 1HD1 ILE 34 -0.368 1.618 -0.064 296 HD13 ILE 34 2HD1 ILE 34 0.658 0.871 -1.309 297 H ALA 35 H ALA 35 -2.501 3.351 0.454 298 HA ALA 35 HA ALA 35 -2.761 0.737 1.573 299 HB1 ALA 35 1HB ALA 35 -1.921 2.679 2.797 300 HB2 ALA 35 2HB ALA 35 -3.538 3.417 2.775 301 HB3 ALA 35 3HB ALA 35 -3.256 1.902 3.649 302 H VAL 36 H VAL 36 -5.373 3.190 0.840 303 HA VAL 36 HA VAL 36 -7.425 1.329 1.725 304 HB VAL 36 HB VAL 36 -9.072 2.811 0.726 305 HG11 VAL 36 1HG1 VAL 36 -6.992 4.290 2.380 306 HG12 VAL 36 2HG1 VAL 36 -8.711 4.699 2.218 307 HG13 VAL 36 3HG1 VAL 36 -8.235 3.188 3.019 308 HG21 VAL 36 3HG2 VAL 36 -6.789 4.656 -0.035 309 HG22 VAL 36 1HG2 VAL 36 -7.747 3.713 -1.197 310 HG23 VAL 36 2HG2 VAL 36 -8.524 4.960 -0.215 311 H TRP 37 H TRP 37 -5.790 1.753 -1.366 312 HA TRP 37 HA TRP 37 -7.609 0.032 -2.845 313 HB2 TRP 37 2HB TRP 37 -4.734 0.773 -3.416 314 HB3 TRP 37 3HB TRP 37 -5.863 0.064 -4.560 315 HD1 TRP 37 1HD TRP 37 -7.985 2.447 -3.090 316 HE1 TRP 37 1HE TRP 37 -7.898 4.798 -4.096 317 HE3 TRP 37 3HE TRP 37 -3.676 1.967 -5.789 318 HZ2 TRP 37 2HZ TRP 37 -6.186 6.273 -5.907 319 HZ3 TRP 37 3HZ TRP 37 -2.831 3.867 -7.150 320 HH2 TRP 37 2HH TRP 37 -4.069 6.021 -7.211 321 H THR 38 H THR 38 -4.685 -0.590 -0.931 322 HA THR 38 HA THR 38 -4.777 -3.501 -1.553 323 HB THR 38 HB THR 38 -2.646 -3.621 -0.299 324 HG1 THR 38 1HG THR 38 -2.707 -0.798 -0.377 325 HG21 THR 38 1HG2 THR 38 -2.627 -1.545 -2.530 326 HG22 THR 38 2HG2 THR 38 -2.614 -3.308 -2.736 327 HG23 THR 38 3HG2 THR 38 -1.245 -2.501 -1.949 328 H ASN 39 H ASN 39 -6.287 -1.586 0.633 329 HA ASN 39 HA ASN 39 -7.197 -1.738 2.632 330 HB2 ASN 39 2HB ASN 39 -8.324 -3.677 1.484 331 HB3 ASN 39 3HB ASN 39 -7.178 -4.756 2.282 332 HD21 ASN 39 1HD2 ASN 39 -9.208 -5.729 3.160 333 HD22 ASN 39 2HD2 ASN 39 -9.929 -4.980 4.577 334 H LEU 40 H LEU 40 -4.668 -1.165 2.821 335 HA LEU 40 HA LEU 40 -3.689 -2.474 5.323 336 HB2 LEU 40 2HB LEU 40 -2.254 -1.068 3.071 337 HB3 LEU 40 3HB LEU 40 -1.679 -0.787 4.703 338 HG LEU 40 HG LEU 40 -1.676 -3.348 5.008 339 HD11 LEU 40 1HD1 LEU 40 -1.548 -3.246 1.970 340 HD12 LEU 40 2HD1 LEU 40 -2.907 -3.886 2.908 341 HD13 LEU 40 3HD1 LEU 40 -1.327 -4.678 3.002 342 HD21 LEU 40 3HD2 LEU 40 0.356 -2.006 4.905 343 HD22 LEU 40 1HD2 LEU 40 0.303 -2.022 3.127 344 HD23 LEU 40 2HD2 LEU 40 0.565 -3.531 4.035 345 H THR 41 H THR 41 -2.717 -0.974 6.866 346 HA THR 41 HA THR 41 -4.558 1.290 7.471 347 HB THR 41 HB THR 41 -2.521 0.138 9.381 348 HG1 THR 41 1HG THR 41 -5.073 -0.888 8.732 349 HG21 THR 41 1HG2 THR 41 -4.226 0.731 11.076 350 HG22 THR 41 2HG2 THR 41 -5.264 1.393 9.796 351 HG23 THR 41 3HG2 THR 41 -3.696 2.146 10.164 352 H GLU 42 H GLU 42 -3.754 3.326 8.104 353 HA GLU 42 HA GLU 42 -1.797 4.403 6.465 354 HB2 GLU 42 2HB GLU 42 -2.754 5.569 9.115 355 HB3 GLU 42 3HB GLU 42 -2.009 6.440 7.780 356 HG2 GLU 42 2HG GLU 42 -4.141 6.931 7.260 357 HG3 GLU 42 3HG GLU 42 -4.054 5.406 6.391 358 H ALA 43 H ALA 43 -1.206 3.136 9.726 359 HA ALA 43 HA ALA 43 1.614 4.062 9.690 360 HB1 ALA 43 1HB ALA 43 0.318 4.113 11.785 361 HB2 ALA 43 2HB ALA 43 0.068 2.354 11.691 362 HB3 ALA 43 3HB ALA 43 1.703 3.014 11.909 363 H ARG 44 H ARG 44 -0.186 1.013 9.182 364 HA ARG 44 HA ARG 44 2.171 -0.686 9.062 365 HB2 ARG 44 2HB ARG 44 -0.751 -1.005 8.328 366 HB3 ARG 44 3HB ARG 44 0.428 -2.179 7.743 367 HG2 ARG 44 2HG ARG 44 1.224 -2.624 10.006 368 HG3 ARG 44 3HG ARG 44 0.111 -1.433 10.686 369 HD2 ARG 44 2HD ARG 44 -0.909 -3.766 9.028 370 HD3 ARG 44 3HD ARG 44 -0.487 -3.994 10.716 371 HE ARG 44 HE ARG 44 -2.724 -2.318 9.657 372 HH11 ARG 44 1HH2 ARG 44 -1.132 -3.548 12.548 373 HH12 ARG 44 2HH2 ARG 44 -2.488 -3.116 13.553 374 HH21 ARG 44 1HH1 ARG 44 -4.308 -1.766 10.959 375 HH22 ARG 44 2HH1 ARG 44 -4.275 -2.143 12.673 376 H VAL 45 H VAL 45 0.368 1.078 6.538 377 HA VAL 45 HA VAL 45 2.032 0.141 4.378 378 HB VAL 45 HB VAL 45 -0.187 1.248 4.111 379 HG11 VAL 45 1HG1 VAL 45 0.147 3.204 5.614 380 HG12 VAL 45 2HG1 VAL 45 1.323 3.881 4.463 381 HG13 VAL 45 3HG1 VAL 45 -0.361 3.679 3.994 382 HG21 VAL 45 3HG2 VAL 45 2.086 2.482 2.507 383 HG22 VAL 45 1HG2 VAL 45 1.347 0.886 2.223 384 HG23 VAL 45 2HG2 VAL 45 0.385 2.358 2.034 385 H ARG 46 H ARG 46 2.379 2.909 6.610 386 HA ARG 46 HA ARG 46 4.753 4.016 5.413 387 HB2 ARG 46 2HB ARG 46 3.444 4.198 8.145 388 HB3 ARG 46 3HB ARG 46 5.027 4.908 7.879 389 HG2 ARG 46 2HG ARG 46 4.166 6.303 6.056 390 HG3 ARG 46 3HG ARG 46 2.562 5.560 6.203 391 HD2 ARG 46 2HD ARG 46 2.353 6.419 8.512 392 HD3 ARG 46 3HD ARG 46 3.993 7.059 8.439 393 HE ARG 46 HE ARG 46 3.279 8.870 7.191 394 HH11 ARG 46 1HH1 ARG 46 0.577 6.577 7.161 395 HH12 ARG 46 2HH1 ARG 46 -0.520 7.889 6.675 396 HH21 ARG 46 1HH2 ARG 46 1.638 10.402 6.760 397 HH22 ARG 46 2HH2 ARG 46 0.026 9.774 6.417 398 H VAL 47 H VAL 47 4.391 1.592 8.029 399 HA VAL 47 HA VAL 47 7.209 1.100 8.325 400 HB VAL 47 HB VAL 47 4.817 -0.689 8.872 401 HG11 VAL 47 1HG1 VAL 47 6.391 -2.037 10.279 402 HG12 VAL 47 2HG1 VAL 47 6.745 -2.178 8.560 403 HG13 VAL 47 3HG1 VAL 47 7.756 -1.136 9.583 404 HG21 VAL 47 3HG2 VAL 47 6.686 0.860 10.727 405 HG22 VAL 47 1HG2 VAL 47 5.044 1.364 10.295 406 HG23 VAL 47 2HG2 VAL 47 5.289 -0.122 11.217 407 H TRP 48 H TRP 48 4.791 -0.523 6.122 408 HA TRP 48 HA TRP 48 6.672 -2.358 5.065 409 HB2 TRP 48 2HB TRP 48 4.143 -2.377 4.856 410 HB3 TRP 48 3HB TRP 48 4.305 -1.186 3.569 411 HD1 TRP 48 1HD TRP 48 4.514 -4.837 4.314 412 HE1 TRP 48 1HE TRP 48 5.154 -6.200 2.240 413 HE3 TRP 48 3HE TRP 48 5.798 -0.992 1.169 414 HZ2 TRP 48 2HZ TRP 48 6.114 -5.697 -0.432 415 HZ3 TRP 48 3HZ TRP 48 6.602 -1.463 -1.116 416 HH2 TRP 48 2HH TRP 48 6.800 -3.806 -1.921 417 H PHE 49 H PHE 49 5.770 0.906 3.803 418 HA PHE 49 HA PHE 49 7.664 0.772 1.639 419 HB2 PHE 49 2HB PHE 49 5.926 2.922 2.813 420 HB3 PHE 49 3HB PHE 49 7.246 3.378 1.744 421 HD1 PHE 49 2HD PHE 49 4.214 1.165 1.912 422 HD2 PHE 49 1HD PHE 49 7.148 3.072 -0.607 423 HE1 PHE 49 2HE PHE 49 2.997 0.392 -0.094 424 HE2 PHE 49 1HE PHE 49 5.889 2.318 -2.619 425 HZ PHE 49 HZ PHE 49 3.845 0.946 -2.357 426 H LYS 50 H LYS 50 8.038 2.043 4.977 427 HA LYS 50 HA LYS 50 10.694 3.100 4.558 428 HB2 LYS 50 2HB LYS 50 9.255 3.615 6.508 429 HB3 LYS 50 3HB LYS 50 9.416 1.948 7.079 430 HG2 LYS 50 2HG LYS 50 11.863 2.273 7.343 431 HG3 LYS 50 3HG LYS 50 11.716 3.923 6.704 432 HD2 LYS 50 2HD LYS 50 10.243 4.527 8.611 433 HD3 LYS 50 3HD LYS 50 10.385 2.871 9.244 434 HE2 LYS 50 2HE LYS 50 12.848 3.164 9.439 435 HE3 LYS 50 3HE LYS 50 12.706 4.811 8.809 436 HZ1 LYS 50 3HZ LYS 50 11.479 3.844 11.340 437 HZ2 LYS 50 1HZ LYS 50 11.346 5.366 10.758 438 HZ3 LYS 50 2HZ LYS 50 12.797 4.797 11.235 439 H ASN 51 H ASN 51 9.567 -0.140 5.566 440 HA ASN 51 HA ASN 51 12.139 -1.349 5.811 441 HB2 ASN 51 2HB ASN 51 9.913 -2.162 6.705 442 HB3 ASN 51 3HB ASN 51 9.475 -2.656 5.074 443 HD21 ASN 51 1HD2 ASN 51 11.237 -3.475 7.941 444 HD22 ASN 51 2HD2 ASN 51 11.897 -4.987 7.332 445 H ARG 52 H ARG 52 9.864 -1.303 3.024 446 HA ARG 52 HA ARG 52 11.498 -2.640 1.125 447 HB2 ARG 52 2HB ARG 52 9.109 -2.213 0.794 448 HB3 ARG 52 3HB ARG 52 9.377 -0.475 0.800 449 HG2 ARG 52 2HG ARG 52 9.008 -1.294 -1.471 450 HG3 ARG 52 3HG ARG 52 10.595 -0.565 -1.295 451 HD2 ARG 52 2HD ARG 52 10.744 -2.524 -2.676 452 HD3 ARG 52 3HD ARG 52 11.635 -2.819 -1.181 453 HE ARG 52 HE ARG 52 9.246 -3.893 -0.526 454 HH11 ARG 52 1HH1 ARG 52 11.069 -4.397 -3.519 455 HH12 ARG 52 2HH1 ARG 52 10.226 -5.929 -3.785 456 HH21 ARG 52 1HH2 ARG 52 8.408 -5.949 -0.990 457 HH22 ARG 52 2HH2 ARG 52 8.884 -6.700 -2.515 458 H ARG 53 H ARG 53 11.269 0.904 1.736 459 HA ARG 53 HA ARG 53 13.224 1.705 -0.165 460 HB2 ARG 53 2HB ARG 53 11.637 3.229 0.937 461 HB3 ARG 53 3HB ARG 53 12.456 2.996 2.489 462 HG2 ARG 53 2HG ARG 53 14.516 4.026 1.566 463 HG3 ARG 53 3HG ARG 53 13.725 4.209 -0.013 464 HD2 ARG 53 2HD ARG 53 12.051 5.708 0.966 465 HD3 ARG 53 3HD ARG 53 12.714 5.471 2.580 466 HE ARG 53 HE ARG 53 13.800 7.142 0.413 467 HH11 ARG 53 1HH1 ARG 53 14.565 5.734 3.536 468 HH12 ARG 53 2HH1 ARG 53 15.846 6.874 3.831 469 HH21 ARG 53 1HH2 ARG 53 15.439 8.572 0.874 470 HH22 ARG 53 2HH2 ARG 53 16.319 8.432 2.366 471 H ALA 54 H ALA 54 13.718 0.835 3.297 472 HA ALA 54 HA ALA 54 16.522 1.296 3.318 473 HB1 ALA 54 1HB ALA 54 15.139 1.036 5.336 474 HB2 ALA 54 2HB ALA 54 14.853 -0.674 4.946 475 HB3 ALA 54 3HB ALA 54 16.490 -0.112 5.343 476 H LYS 55 H LYS 55 14.744 -1.767 2.637 477 HA LYS 55 HA LYS 55 17.099 -3.345 2.074 478 HB2 LYS 55 2HB LYS 55 14.158 -3.682 1.346 479 HB3 LYS 55 3HB LYS 55 15.402 -4.888 0.989 480 HG2 LYS 55 2HG LYS 55 15.927 -5.141 3.375 481 HG3 LYS 55 3HG LYS 55 14.794 -3.862 3.796 482 HD2 LYS 55 2HD LYS 55 13.733 -5.977 4.251 483 HD3 LYS 55 3HD LYS 55 12.912 -5.186 2.912 484 HE2 LYS 55 2HE LYS 55 13.066 -7.516 2.399 485 HE3 LYS 55 3HE LYS 55 14.141 -6.655 1.299 486 HZ1 LYS 55 3HZ LYS 55 16.014 -7.329 2.727 487 HZ2 LYS 55 1HZ LYS 55 15.189 -8.646 2.238 488 HZ3 LYS 55 2HZ LYS 55 15.003 -8.095 3.760 489 H TRP 56 H TRP 56 15.104 -1.316 -0.015 490 HA TRP 56 HA TRP 56 16.340 -2.165 -2.502 491 HB2 TRP 56 2HB TRP 56 14.072 -1.340 -2.424 492 HB3 TRP 56 3HB TRP 56 14.588 0.175 -1.698 493 HD1 TRP 56 1HD TRP 56 14.981 -1.721 -5.037 494 HE1 TRP 56 1HE TRP 56 15.135 -0.009 -6.948 495 HE3 TRP 56 3HE TRP 56 15.024 2.583 -2.258 496 HZ2 TRP 56 2HZ TRP 56 15.230 2.864 -7.233 497 HZ3 TRP 56 3HZ TRP 56 15.132 4.797 -3.380 498 HH2 TRP 56 2HH TRP 56 15.239 4.953 -5.854 499 H ARG 57 H ARG 57 16.755 0.744 -0.432 500 HA ARG 57 HA ARG 57 18.770 1.908 -2.169 501 HB2 ARG 57 2HB ARG 57 17.215 3.290 -0.926 502 HB3 ARG 57 3HB ARG 57 17.800 2.652 0.621 503 HG2 ARG 57 2HG ARG 57 19.929 3.693 0.377 504 HG3 ARG 57 3HG ARG 57 19.628 4.091 -1.325 505 HD2 ARG 57 2HD ARG 57 18.093 5.827 -0.767 506 HD3 ARG 57 3HD ARG 57 17.857 5.201 0.866 507 HE ARG 57 HE ARG 57 19.561 6.520 1.582 508 HH11 ARG 57 1HH1 ARG 57 20.288 6.001 -1.813 509 HH12 ARG 57 2HH1 ARG 57 21.917 6.617 -1.642 510 HH21 ARG 57 1HH2 ARG 57 21.573 7.430 1.677 511 HH22 ARG 57 2HH2 ARG 57 22.608 7.393 0.268 512 H LYS 58 H LYS 58 18.966 0.157 0.910 513 HA LYS 58 HA LYS 58 20.671 -0.720 2.129 514 HB2 LYS 58 2HB LYS 58 22.141 -0.921 -0.527 515 HB3 LYS 58 3HB LYS 58 22.477 -1.841 0.933 516 HG2 LYS 58 2HG LYS 58 20.208 -2.882 0.811 517 HG3 LYS 58 3HG LYS 58 19.898 -1.992 -0.685 518 HD2 LYS 58 2HD LYS 58 20.507 -4.221 -1.269 519 HD3 LYS 58 3HD LYS 58 21.813 -3.138 -1.773 520 HE2 LYS 58 2HE LYS 58 23.124 -3.778 0.239 521 HE3 LYS 58 3HE LYS 58 21.795 -4.811 0.785 522 HZ1 LYS 58 3HZ LYS 58 22.115 -6.162 -1.221 523 HZ2 LYS 58 1HZ LYS 58 23.504 -6.094 -0.370 524 HZ3 LYS 58 2HZ LYS 58 23.340 -5.204 -1.726 525 H ARG 59 H ARG 59 23.253 -0.704 2.355 526 HA ARG 59 HA ARG 59 24.099 1.989 3.113 527 HB2 ARG 59 2HB ARG 59 24.712 0.045 4.457 528 HB3 ARG 59 3HB ARG 59 25.518 -0.709 3.075 529 HG2 ARG 59 2HG ARG 59 27.216 1.063 3.047 530 HG3 ARG 59 3HG ARG 59 26.394 1.914 4.371 531 HD2 ARG 59 2HD ARG 59 26.847 0.093 5.904 532 HD3 ARG 59 3HD ARG 59 27.442 -0.942 4.608 533 HE ARG 59 HE ARG 59 28.877 1.255 5.941 534 HH11 ARG 59 1HH1 ARG 59 28.960 -0.883 3.116 535 HH12 ARG 59 2HH1 ARG 59 30.668 -0.502 2.863 536 HH21 ARG 59 1HH2 ARG 59 31.076 1.583 5.432 537 HH22 ARG 59 2HH2 ARG 59 31.721 0.734 4.024 538 H GLU 60 H GLU 60 25.561 3.266 2.169 539 HA GLU 60 HA GLU 60 26.556 2.649 -0.589 540 HB2 GLU 60 2HB GLU 60 26.066 5.319 0.774 541 HB3 GLU 60 3HB GLU 60 26.783 5.111 -0.829 542 HG2 GLU 60 2HG GLU 60 24.727 4.023 -1.642 543 HG3 GLU 60 3HG GLU 60 23.971 4.221 -0.057 544 H GLU 61 H GLU 61 28.709 3.008 -1.114 545 HA GLU 61 HA GLU 61 30.595 3.899 1.022 546 HB2 GLU 61 2HB GLU 61 30.330 1.362 0.824 547 HB3 GLU 61 3HB GLU 61 31.123 1.484 -0.746 548 HG2 GLU 61 2HG GLU 61 33.167 2.330 0.325 549 HG3 GLU 61 3HG GLU 61 32.329 2.502 1.869 550 H PHE 62 H PHE 62 29.471 4.681 -1.942 551 HA PHE 62 HA PHE 62 31.930 5.050 -3.431 552 HB2 PHE 62 2HB PHE 62 29.782 4.627 -4.526 553 HB3 PHE 62 3HB PHE 62 29.121 6.115 -3.856 554 HD1 PHE 62 1HD PHE 62 32.303 5.199 -5.722 555 HD2 PHE 62 2HD PHE 62 28.801 7.719 -5.530 556 HE1 PHE 62 1HE PHE 62 33.090 6.454 -7.710 557 HE2 PHE 62 2HE PHE 62 29.573 8.932 -7.555 558 HZ PHE 62 HZ PHE 62 31.732 8.322 -8.628 559 H ILE 63 H ILE 63 32.965 6.969 -3.998 560 HA ILE 63 HA ILE 63 33.203 8.870 -1.837 561 HB ILE 63 HB ILE 63 35.090 7.834 -3.085 562 HG12 ILE 63 2HG1 ILE 63 36.567 9.742 -3.248 563 HG13 ILE 63 3HG1 ILE 63 35.220 10.870 -3.242 564 HG21 ILE 63 1HG2 ILE 63 34.366 9.741 -5.351 565 HG22 ILE 63 2HG2 ILE 63 35.771 8.667 -5.274 566 HG23 ILE 63 3HG2 ILE 63 34.150 7.980 -5.389 567 HD11 ILE 63 3HD1 ILE 63 36.386 10.684 -1.044 568 HD12 ILE 63 1HD1 ILE 63 34.675 10.252 -0.919 569 HD13 ILE 63 2HD1 ILE 63 35.917 8.975 -0.950 570 H VAL 64 H VAL 64 31.262 8.888 -4.620 571 HA VAL 64 HA VAL 64 29.996 10.403 -5.710 572 HB VAL 64 HB VAL 64 30.074 12.173 -3.258 573 HG11 VAL 64 1HG1 VAL 64 27.786 12.743 -3.998 574 HG12 VAL 64 2HG1 VAL 64 28.943 13.128 -5.272 575 HG13 VAL 64 3HG1 VAL 64 27.949 11.664 -5.399 576 HG21 VAL 64 3HG2 VAL 64 28.060 10.908 -2.521 577 HG22 VAL 64 1HG2 VAL 64 28.340 9.725 -3.819 578 HG23 VAL 64 2HG2 VAL 64 29.511 9.910 -2.494 579 H THR 65 H THR 65 32.095 10.458 -6.927 580 HA THR 65 HA THR 65 33.839 12.653 -6.972 581 HB THR 65 HB THR 65 32.948 11.114 -9.435 582 HG1 THR 65 1HG THR 65 34.508 9.593 -8.822 583 HG21 THR 65 1HG2 THR 65 35.351 11.314 -10.050 584 HG22 THR 65 2HG2 THR 65 35.643 12.275 -8.583 585 HG23 THR 65 3HG2 THR 65 34.595 12.898 -9.878 586 H ASP 66 H ASP 66 33.869 14.636 -7.947 587 HA ASP 66 HA ASP 66 31.380 15.936 -8.658 588 HB2 ASP 66 2HB ASP 66 33.157 17.057 -7.399 589 HB3 ASP 66 3HB ASP 66 34.260 16.896 -8.762 Start of MODEL 5 1 H1 GLY -1 1H GLY -1 -15.698 -27.245 15.732 2 H2 GLY -1 2H GLY -1 -15.328 -28.842 15.740 3 H3 GLY -1 3H GLY -1 -14.624 -27.840 14.650 4 HA2 GLY -1 2HA GLY -1 -14.227 -27.740 17.570 5 HA3 GLY -1 3HA GLY -1 -13.064 -28.389 16.400 6 H SER 0 H SER 0 -12.121 -26.503 18.024 7 HA SER 0 HA SER 0 -12.463 -23.784 17.239 8 HB2 SER 0 2HB SER 0 -10.091 -25.092 18.619 9 HB3 SER 0 3HB SER 0 -10.465 -23.358 18.587 10 HG SER 0 HG SER 0 -11.217 -24.374 20.510 11 H GLN 1 H GLN 1 -11.095 -22.349 16.153 12 HA GLN 1 HA GLN 1 -9.030 -23.431 14.295 13 HB2 GLN 1 2HB GLN 1 -11.325 -21.571 13.531 14 HB3 GLN 1 3HB GLN 1 -9.938 -21.960 12.507 15 HG2 GLN 1 2HG GLN 1 -10.597 -24.373 12.552 16 HG3 GLN 1 3HG GLN 1 -12.034 -23.946 13.490 17 HE21 GLN 1 1HE2 GLN 1 -10.454 -23.535 10.287 18 HE22 GLN 1 2HE2 GLN 1 -11.946 -23.089 9.469 19 H ARG 2 H ARG 2 -7.583 -21.792 13.460 20 HA ARG 2 HA ARG 2 -7.323 -19.302 15.107 21 HB2 ARG 2 2HB ARG 2 -5.091 -21.259 14.407 22 HB3 ARG 2 3HB ARG 2 -4.867 -19.670 15.150 23 HG2 ARG 2 2HG ARG 2 -6.233 -20.397 17.108 24 HG3 ARG 2 3HG ARG 2 -6.387 -22.010 16.386 25 HD2 ARG 2 2HD ARG 2 -3.892 -22.229 16.404 26 HD3 ARG 2 3HD ARG 2 -3.779 -20.644 17.165 27 HE ARG 2 HE ARG 2 -4.513 -21.513 19.197 28 HH11 ARG 2 1HH1 ARG 2 -4.799 -24.067 16.808 29 HH12 ARG 2 2HH1 ARG 2 -5.060 -25.289 18.022 30 HH21 ARG 2 1HH2 ARG 2 -4.850 -23.121 20.681 31 HH22 ARG 2 2HH2 ARG 2 -5.088 -24.761 20.153 32 H ARG 3 H ARG 3 -6.391 -17.555 14.131 33 HA ARG 3 HA ARG 3 -5.664 -17.595 11.247 34 HB2 ARG 3 2HB ARG 3 -7.840 -15.814 12.441 35 HB3 ARG 3 3HB ARG 3 -7.146 -15.626 10.828 36 HG2 ARG 3 2HG ARG 3 -7.960 -17.922 10.234 37 HG3 ARG 3 3HG ARG 3 -8.781 -18.009 11.800 38 HD2 ARG 3 2HD ARG 3 -9.291 -15.927 9.636 39 HD3 ARG 3 3HD ARG 3 -10.298 -17.334 9.939 40 HE ARG 3 HE ARG 3 -10.191 -14.842 11.480 41 HH11 ARG 3 1HH2 ARG 3 -11.302 -18.165 11.621 42 HH12 ARG 3 2HH2 ARG 3 -12.431 -17.823 12.903 43 HH21 ARG 3 1HH1 ARG 3 -11.646 -14.483 13.109 44 HH22 ARG 3 2HH1 ARG 3 -12.616 -15.792 13.718 45 H GLN 4 H GLN 4 -4.570 -15.699 10.543 46 HA GLN 4 HA GLN 4 -2.950 -14.308 12.570 47 HB2 GLN 4 2HB GLN 4 -3.091 -14.048 9.539 48 HB3 GLN 4 3HB GLN 4 -1.970 -13.164 10.584 49 HG2 GLN 4 2HG GLN 4 -1.008 -15.315 11.384 50 HG3 GLN 4 3HG GLN 4 -2.086 -16.200 10.304 51 HE21 GLN 4 1HE2 GLN 4 0.392 -16.890 9.835 52 HE22 GLN 4 2HE2 GLN 4 1.070 -16.042 8.452 53 H ARG 5 H ARG 5 -2.858 -11.970 12.743 54 HA ARG 5 HA ARG 5 -5.450 -10.561 12.174 55 HB2 ARG 5 2HB ARG 5 -3.856 -10.561 14.765 56 HB3 ARG 5 3HB ARG 5 -5.201 -9.475 14.401 57 HG2 ARG 5 2HG ARG 5 -6.729 -11.431 14.163 58 HG3 ARG 5 3HG ARG 5 -5.383 -12.521 14.521 59 HD2 ARG 5 2HD ARG 5 -6.660 -12.259 16.526 60 HD3 ARG 5 3HD ARG 5 -5.100 -11.447 16.741 61 HE ARG 5 HE ARG 5 -7.168 -9.629 15.798 62 HH11 ARG 5 1HH2 ARG 5 -6.045 -11.148 18.750 63 HH12 ARG 5 2HH2 ARG 5 -6.701 -9.886 19.757 64 HH21 ARG 5 1HH1 ARG 5 -7.971 -8.049 17.141 65 HH22 ARG 5 2HH1 ARG 5 -7.766 -8.184 18.863 66 H THR 6 H THR 6 -5.296 -8.743 11.198 67 HA THR 6 HA THR 6 -4.490 -6.969 10.057 68 HB THR 6 HB THR 6 -3.776 -5.136 11.373 69 HG1 THR 6 1HG THR 6 -2.616 -6.978 12.915 70 HG21 THR 6 1HG2 THR 6 -6.127 -5.831 11.590 71 HG22 THR 6 2HG2 THR 6 -5.509 -5.048 13.054 72 HG23 THR 6 3HG2 THR 6 -5.706 -6.811 13.016 73 H HIS 7 H HIS 7 -2.787 -9.081 9.503 74 HA HIS 7 HA HIS 7 -0.130 -7.753 9.110 75 HB2 HIS 7 2HB HIS 7 -0.098 -9.708 10.638 76 HB3 HIS 7 3HB HIS 7 -0.760 -10.715 9.347 77 HD2 HIS 7 2HD HIS 7 1.112 -12.133 8.276 78 HE1 HIS 7 1HE HIS 7 4.352 -9.362 8.418 79 HE2 HIS 7 2HE HIS 7 3.647 -11.702 7.696 80 H PHE 8 H PHE 8 1.015 -8.319 7.123 81 HA PHE 8 HA PHE 8 -0.702 -7.862 4.884 82 HB2 PHE 8 2HB PHE 8 2.195 -8.647 4.616 83 HB3 PHE 8 3HB PHE 8 1.207 -7.622 3.587 84 HD1 PHE 8 2HD PHE 8 0.624 -5.290 4.297 85 HD2 PHE 8 1HD PHE 8 3.449 -7.731 6.440 86 HE1 PHE 8 2HE PHE 8 1.577 -3.252 5.363 87 HE2 PHE 8 1HE PHE 8 4.373 -5.701 7.539 88 HZ PHE 8 HZ PHE 8 3.439 -3.460 6.999 89 H THR 9 H THR 9 -0.908 -9.060 2.923 90 HA THR 9 HA THR 9 -0.094 -11.931 2.931 91 HB THR 9 HB THR 9 -2.513 -11.705 3.513 92 HG1 THR 9 1HG THR 9 -3.062 -13.361 2.109 93 HG21 THR 9 1HG2 THR 9 -3.155 -9.839 2.005 94 HG22 THR 9 2HG2 THR 9 -4.134 -11.283 1.734 95 HG23 THR 9 3HG2 THR 9 -2.842 -10.870 0.592 96 H SER 10 H SER 10 -0.226 -12.907 0.689 97 HA SER 10 HA SER 10 1.819 -11.772 -0.787 98 HB2 SER 10 2HB SER 10 -0.297 -13.697 -1.818 99 HB3 SER 10 3HB SER 10 1.316 -13.438 -2.508 100 HG SER 10 HG SER 10 1.256 -15.261 -1.099 101 H GLN 11 H GLN 11 -1.683 -11.433 -1.548 102 HA GLN 11 HA GLN 11 -1.277 -10.072 -4.050 103 HB2 GLN 11 2HB GLN 11 -3.668 -10.083 -2.146 104 HB3 GLN 11 3HB GLN 11 -3.653 -9.387 -3.761 105 HG2 GLN 11 2HG GLN 11 -4.639 -11.463 -4.096 106 HG3 GLN 11 3HG GLN 11 -2.991 -11.675 -4.669 107 HE21 GLN 11 1HE2 GLN 11 -3.872 -14.035 -4.376 108 HE22 GLN 11 2HE2 GLN 11 -3.574 -14.745 -2.795 109 H GLN 12 H GLN 12 -1.431 -8.887 -0.712 110 HA GLN 12 HA GLN 12 -1.534 -6.048 -1.429 111 HB2 GLN 12 2HB GLN 12 -0.738 -7.432 1.160 112 HB3 GLN 12 3HB GLN 12 -0.997 -5.702 0.957 113 HG2 GLN 12 2HG GLN 12 -3.355 -6.011 0.500 114 HG3 GLN 12 3HG GLN 12 -3.194 -7.761 0.443 115 HE21 GLN 12 1HE2 GLN 12 -4.761 -5.841 2.325 116 HE22 GLN 12 2HE2 GLN 12 -4.327 -6.498 3.902 117 H LEU 13 H LEU 13 1.021 -8.372 -0.414 118 HA LEU 13 HA LEU 13 3.263 -6.614 -0.644 119 HB2 LEU 13 2HB LEU 13 2.808 -9.591 -0.667 120 HB3 LEU 13 3HB LEU 13 4.326 -9.012 -1.334 121 HG LEU 13 HG LEU 13 4.923 -7.892 0.734 122 HD11 LEU 13 1HD1 LEU 13 3.641 -8.193 2.793 123 HD12 LEU 13 2HD1 LEU 13 2.330 -8.970 1.875 124 HD13 LEU 13 3HD1 LEU 13 2.722 -7.255 1.611 125 HD21 LEU 13 3HD2 LEU 13 3.982 -10.746 1.221 126 HD22 LEU 13 1HD2 LEU 13 5.217 -9.875 2.154 127 HD23 LEU 13 2HD2 LEU 13 5.514 -10.273 0.453 128 H GLN 14 H GLN 14 1.658 -8.608 -3.167 129 HA GLN 14 HA GLN 14 3.458 -7.938 -5.270 130 HB2 GLN 14 2HB GLN 14 1.900 -9.833 -5.274 131 HB3 GLN 14 3HB GLN 14 0.519 -8.731 -5.344 132 HG2 GLN 14 2HG GLN 14 1.189 -7.968 -7.573 133 HG3 GLN 14 3HG GLN 14 2.695 -8.897 -7.474 134 HE21 GLN 14 1HE2 GLN 14 -0.911 -9.374 -7.334 135 HE22 GLN 14 2HE2 GLN 14 -0.840 -10.955 -8.102 136 H GLU 15 H GLU 15 0.403 -6.304 -4.243 137 HA GLU 15 HA GLU 15 0.512 -4.274 -6.289 138 HB2 GLU 15 2HB GLU 15 -1.504 -4.997 -4.922 139 HB3 GLU 15 3HB GLU 15 -0.806 -4.141 -3.549 140 HG2 GLU 15 2HG GLU 15 -2.442 -2.710 -4.539 141 HG3 GLU 15 3HG GLU 15 -0.874 -2.013 -4.909 142 H LEU 16 H LEU 16 1.708 -4.354 -2.909 143 HA LEU 16 HA LEU 16 2.739 -1.678 -2.850 144 HB2 LEU 16 2HB LEU 16 3.354 -4.206 -1.282 145 HB3 LEU 16 3HB LEU 16 4.135 -2.670 -0.940 146 HG LEU 16 HG LEU 16 1.106 -2.909 -0.938 147 HD11 LEU 16 1HD1 LEU 16 2.982 -3.204 1.437 148 HD12 LEU 16 2HD1 LEU 16 2.034 -4.516 0.712 149 HD13 LEU 16 3HD1 LEU 16 1.211 -3.155 1.489 150 HD21 LEU 16 3HD2 LEU 16 1.256 -0.922 0.493 151 HD22 LEU 16 1HD2 LEU 16 2.065 -0.617 -1.048 152 HD23 LEU 16 2HD2 LEU 16 3.031 -0.956 0.402 153 H GLU 17 H GLU 17 4.338 -4.794 -3.728 154 HA GLU 17 HA GLU 17 6.856 -3.547 -4.294 155 HB2 GLU 17 2HB GLU 17 6.545 -5.931 -3.727 156 HB3 GLU 17 3HB GLU 17 5.807 -6.205 -5.317 157 HG2 GLU 17 2HG GLU 17 7.887 -5.628 -6.432 158 HG3 GLU 17 3HG GLU 17 8.585 -5.007 -4.935 159 H ALA 18 H ALA 18 3.948 -3.897 -6.294 160 HA ALA 18 HA ALA 18 5.213 -3.231 -8.793 161 HB1 ALA 18 1HB ALA 18 2.934 -2.783 -9.564 162 HB2 ALA 18 2HB ALA 18 3.007 -4.302 -8.652 163 HB3 ALA 18 3HB ALA 18 2.330 -2.842 -7.898 164 H THR 19 H THR 19 3.582 -1.130 -6.315 165 HA THR 19 HA THR 19 4.311 1.298 -7.749 166 HB THR 19 HB THR 19 2.392 1.306 -6.327 167 HG1 THR 19 1HG THR 19 2.860 3.219 -5.235 168 HG21 THR 19 1HG2 THR 19 3.003 -0.119 -4.479 169 HG22 THR 19 2HG2 THR 19 2.583 1.479 -3.864 170 HG23 THR 19 3HG2 THR 19 4.293 0.993 -3.977 171 H PHE 20 H PHE 20 5.905 -0.537 -5.121 172 HA PHE 20 HA PHE 20 8.052 1.206 -4.597 173 HB2 PHE 20 2HB PHE 20 7.415 -0.867 -3.369 174 HB3 PHE 20 3HB PHE 20 8.053 -1.826 -4.697 175 HD1 PHE 20 2HD PHE 20 10.499 -2.020 -5.069 176 HD2 PHE 20 1HD PHE 20 8.862 0.159 -1.729 177 HE1 PHE 20 2HE PHE 20 12.704 -2.104 -3.929 178 HE2 PHE 20 1HE PHE 20 11.069 0.069 -0.588 179 HZ PHE 20 HZ PHE 20 12.994 -1.057 -1.692 180 H GLN 21 H GLN 21 7.824 -1.259 -7.237 181 HA GLN 21 HA GLN 21 10.493 -0.514 -8.196 182 HB2 GLN 21 2HB GLN 21 10.395 -2.365 -9.599 183 HB3 GLN 21 3HB GLN 21 9.595 -2.859 -8.109 184 HG2 GLN 21 2HG GLN 21 7.373 -2.318 -9.302 185 HG3 GLN 21 3HG GLN 21 8.307 -2.150 -10.788 186 HE21 GLN 21 1HE2 GLN 21 7.487 -4.416 -8.155 187 HE22 GLN 21 2HE2 GLN 21 7.710 -5.875 -9.132 188 H ARG 22 H ARG 22 7.186 0.249 -9.218 189 HA ARG 22 HA ARG 22 8.185 1.376 -11.788 190 HB2 ARG 22 2HB ARG 22 6.329 -0.317 -11.657 191 HB3 ARG 22 3HB ARG 22 5.323 0.910 -10.874 192 HG2 ARG 22 2HG ARG 22 5.525 2.368 -12.863 193 HG3 ARG 22 3HG ARG 22 6.576 1.183 -13.651 194 HD2 ARG 22 2HD ARG 22 3.704 0.668 -12.766 195 HD3 ARG 22 3HD ARG 22 4.184 1.132 -14.407 196 HE ARG 22 HE ARG 22 5.724 -1.117 -13.844 197 HH11 ARG 22 1HH1 ARG 22 2.281 -0.512 -14.067 198 HH12 ARG 22 2HH1 ARG 22 1.929 -2.156 -14.527 199 HH21 ARG 22 1HH2 ARG 22 5.205 -3.197 -14.430 200 HH22 ARG 22 2HH2 ARG 22 3.548 -3.627 -14.731 201 H ASN 23 H ASN 23 6.381 2.491 -8.918 202 HA ASN 23 HA ASN 23 6.272 5.254 -9.987 203 HB2 ASN 23 2HB ASN 23 4.336 4.085 -8.812 204 HB3 ASN 23 3HB ASN 23 5.279 4.172 -7.324 205 HD21 ASN 23 1HD2 ASN 23 3.210 5.295 -6.725 206 HD22 ASN 23 2HD2 ASN 23 3.142 7.033 -7.017 207 H ARG 24 H ARG 24 7.800 3.422 -7.399 208 HA ARG 24 HA ARG 24 9.703 3.597 -6.204 209 HB2 ARG 24 2HB ARG 24 10.576 5.601 -8.301 210 HB3 ARG 24 3HB ARG 24 11.624 4.773 -7.146 211 HG2 ARG 24 2HG ARG 24 11.019 2.588 -8.130 212 HG3 ARG 24 3HG ARG 24 9.940 3.393 -9.284 213 HD2 ARG 24 2HD ARG 24 11.879 4.650 -10.199 214 HD3 ARG 24 3HD ARG 24 12.952 3.755 -9.096 215 HE ARG 24 HE ARG 24 11.371 1.877 -10.539 216 HH11 ARG 24 1HH1 ARG 24 13.989 4.089 -11.288 217 HH12 ARG 24 2HH1 ARG 24 14.521 3.127 -12.641 218 HH21 ARG 24 1HH2 ARG 24 12.079 0.723 -12.225 219 HH22 ARG 24 2HH2 ARG 24 13.454 1.246 -13.161 220 H TYR 25 H TYR 25 8.284 6.758 -6.730 221 HA TYR 25 HA TYR 25 9.107 7.552 -3.967 222 HB2 TYR 25 2HB TYR 25 9.100 9.324 -6.432 223 HB3 TYR 25 3HB TYR 25 9.543 9.805 -4.800 224 HD1 TYR 25 1HD TYR 25 11.656 8.981 -3.754 225 HD2 TYR 25 2HD TYR 25 10.641 8.087 -7.850 226 HE1 TYR 25 1HE TYR 25 14.025 8.340 -4.206 227 HE2 TYR 25 2HE TYR 25 13.007 7.458 -8.303 228 HH TYR 25 HH TYR 25 15.119 7.237 -7.438 229 HA PRO 26 HA PRO 26 4.453 8.204 -4.672 230 HB2 PRO 26 2HB PRO 26 3.487 6.514 -2.723 231 HB3 PRO 26 3HB PRO 26 3.780 6.017 -4.413 232 HG2 PRO 26 2HG PRO 26 5.583 5.621 -2.014 233 HG3 PRO 26 3HG PRO 26 5.132 4.439 -3.285 234 HD2 PRO 26 2HD PRO 26 7.483 5.806 -3.356 235 HD3 PRO 26 3HD PRO 26 6.575 5.405 -4.847 236 H ASP 27 H ASP 27 3.405 9.748 -3.484 237 HA ASP 27 HA ASP 27 4.758 10.996 -1.206 238 HB2 ASP 27 2HB ASP 27 3.691 12.290 -3.028 239 HB3 ASP 27 3HB ASP 27 2.125 11.594 -2.614 240 H MET 28 H MET 28 3.494 11.528 0.850 241 HA MET 28 HA MET 28 2.462 9.231 2.173 242 HB2 MET 28 2HB MET 28 2.015 12.192 2.744 243 HB3 MET 28 3HB MET 28 1.579 10.879 3.839 244 HG2 MET 28 2HG MET 28 4.395 11.581 2.933 245 HG3 MET 28 3HG MET 28 3.674 11.916 4.497 246 HE1 MET 28 3HE MET 28 6.290 9.973 3.034 247 HE2 MET 28 1HE MET 28 5.974 8.245 3.289 248 HE3 MET 28 2HE MET 28 5.039 9.151 2.075 249 H SER 29 H SER 29 0.683 11.765 0.324 250 HA SER 29 HA SER 29 -1.944 10.702 0.946 251 HB2 SER 29 2HB SER 29 -0.971 12.423 -1.363 252 HB3 SER 29 3HB SER 29 -2.669 12.034 -1.029 253 HG SER 29 HG SER 29 -1.998 14.055 -0.108 254 H THR 30 H THR 30 0.408 10.007 -1.685 255 HA THR 30 HA THR 30 -1.280 8.225 -3.189 256 HB THR 30 HB THR 30 1.728 7.966 -2.896 257 HG1 THR 30 1HG THR 30 0.329 9.737 -4.605 258 HG21 THR 30 1HG2 THR 30 1.605 7.329 -5.286 259 HG22 THR 30 2HG2 THR 30 -0.168 7.449 -5.223 260 HG23 THR 30 3HG2 THR 30 0.682 6.223 -4.257 261 H ARG 31 H ARG 31 1.033 7.699 -0.513 262 HA ARG 31 HA ARG 31 0.733 4.846 -0.334 263 HB2 ARG 31 2HB ARG 31 1.636 6.902 1.717 264 HB3 ARG 31 3HB ARG 31 1.737 5.152 1.947 265 HG2 ARG 31 2HG ARG 31 3.190 4.947 -0.057 266 HG3 ARG 31 3HG ARG 31 3.070 6.677 -0.327 267 HD2 ARG 31 2HD ARG 31 3.995 6.851 2.148 268 HD3 ARG 31 3HD ARG 31 4.550 5.199 1.830 269 HE ARG 31 HE ARG 31 5.169 7.337 -0.165 270 HH11 ARG 31 1HH1 ARG 31 6.555 5.328 2.354 271 HH12 ARG 31 2HH1 ARG 31 8.179 5.742 1.872 272 HH21 ARG 31 1HH2 ARG 31 7.139 7.794 -0.701 273 HH22 ARG 31 2HH2 ARG 31 8.520 7.116 0.144 274 H GLU 32 H GLU 32 -1.020 7.486 1.326 275 HA GLU 32 HA GLU 32 -2.700 5.744 2.873 276 HB2 GLU 32 2HB GLU 32 -2.280 8.154 3.333 277 HB3 GLU 32 3HB GLU 32 -3.223 8.585 1.899 278 HG2 GLU 32 2HG GLU 32 -5.233 7.541 2.913 279 HG3 GLU 32 3HG GLU 32 -4.280 7.049 4.314 280 H GLU 33 H GLU 33 -3.139 7.086 -0.452 281 HA GLU 33 HA GLU 33 -5.775 5.953 -0.795 282 HB2 GLU 33 2HB GLU 33 -3.646 6.844 -2.765 283 HB3 GLU 33 3HB GLU 33 -5.184 6.157 -3.276 284 HG2 GLU 33 2HG GLU 33 -4.960 8.621 -1.499 285 HG3 GLU 33 3HG GLU 33 -5.101 8.670 -3.252 286 H ILE 34 H ILE 34 -2.507 4.625 -1.752 287 HA ILE 34 HA ILE 34 -3.748 2.181 -2.638 288 HB ILE 34 HB ILE 34 -1.616 1.188 -2.848 289 HG12 ILE 34 2HG1 ILE 34 0.482 2.593 -2.472 290 HG13 ILE 34 3HG1 ILE 34 -0.485 3.554 -1.360 291 HG21 ILE 34 1HG2 ILE 34 -1.476 4.082 -3.767 292 HG22 ILE 34 2HG2 ILE 34 -0.657 2.687 -4.491 293 HG23 ILE 34 3HG2 ILE 34 -2.421 2.801 -4.556 294 HD11 ILE 34 3HD1 ILE 34 1.000 1.681 -0.416 295 HD12 ILE 34 1HD1 ILE 34 -0.660 1.728 0.177 296 HD13 ILE 34 2HD1 ILE 34 -0.192 0.541 -1.066 297 H ALA 35 H ALA 35 -2.858 3.233 0.587 298 HA ALA 35 HA ALA 35 -2.980 0.686 1.864 299 HB1 ALA 35 1HB ALA 35 -2.136 2.792 2.931 300 HB2 ALA 35 2HB ALA 35 -3.810 3.374 3.032 301 HB3 ALA 35 3HB ALA 35 -3.316 1.921 3.909 302 H VAL 36 H VAL 36 -5.667 3.078 1.268 303 HA VAL 36 HA VAL 36 -7.647 1.245 2.310 304 HB VAL 36 HB VAL 36 -9.352 2.704 1.387 305 HG11 VAL 36 1HG1 VAL 36 -8.322 3.178 3.589 306 HG12 VAL 36 2HG1 VAL 36 -7.143 4.251 2.796 307 HG13 VAL 36 3HG1 VAL 36 -8.870 4.650 2.762 308 HG21 VAL 36 3HG2 VAL 36 -7.117 4.482 0.360 309 HG22 VAL 36 1HG2 VAL 36 -8.190 3.514 -0.672 310 HG23 VAL 36 2HG2 VAL 36 -8.855 4.816 0.321 311 H TRP 37 H TRP 37 -6.309 1.651 -0.955 312 HA TRP 37 HA TRP 37 -8.218 -0.113 -2.227 313 HB2 TRP 37 2HB TRP 37 -5.392 0.592 -3.037 314 HB3 TRP 37 3HB TRP 37 -6.602 -0.149 -4.074 315 HD1 TRP 37 1HD TRP 37 -8.629 2.259 -2.537 316 HE1 TRP 37 1HE TRP 37 -8.605 4.596 -3.593 317 HE3 TRP 37 3HE TRP 37 -4.501 1.728 -5.493 318 HZ2 TRP 37 2HZ TRP 37 -7.043 6.014 -5.572 319 HZ3 TRP 37 3HZ TRP 37 -3.756 3.593 -6.959 320 HH2 TRP 37 2HH TRP 37 -5.012 5.736 -7.005 321 H THR 38 H THR 38 -5.109 -0.740 -0.593 322 HA THR 38 HA THR 38 -5.273 -3.646 -1.136 323 HB THR 38 HB THR 38 -3.211 -3.782 0.254 324 HG1 THR 38 1HG THR 38 -3.201 -0.974 0.095 325 HG21 THR 38 1HG2 THR 38 -3.011 -3.584 -2.169 326 HG22 THR 38 2HG2 THR 38 -1.702 -2.714 -1.348 327 HG23 THR 38 3HG2 THR 38 -3.061 -1.812 -2.058 328 H ASN 39 H ASN 39 -6.719 -1.636 1.094 329 HA ASN 39 HA ASN 39 -7.690 -1.794 3.064 330 HB2 ASN 39 2HB ASN 39 -8.868 -3.707 1.895 331 HB3 ASN 39 3HB ASN 39 -7.754 -4.812 2.713 332 HD21 ASN 39 1HD2 ASN 39 -9.911 -5.678 3.502 333 HD22 ASN 39 2HD2 ASN 39 -10.575 -4.930 4.947 334 H LEU 40 H LEU 40 -5.284 -1.206 3.354 335 HA LEU 40 HA LEU 40 -4.316 -2.485 5.879 336 HB2 LEU 40 2HB LEU 40 -2.735 -1.182 3.616 337 HB3 LEU 40 3HB LEU 40 -2.041 -1.626 5.169 338 HG LEU 40 HG LEU 40 -3.229 -3.603 3.169 339 HD11 LEU 40 1HD1 LEU 40 -1.166 -2.542 2.362 340 HD12 LEU 40 2HD1 LEU 40 -0.884 -4.234 2.790 341 HD13 LEU 40 3HD1 LEU 40 -0.343 -2.939 3.884 342 HD21 LEU 40 3HD2 LEU 40 -3.397 -4.482 5.439 343 HD22 LEU 40 1HD2 LEU 40 -1.720 -3.988 5.799 344 HD23 LEU 40 2HD2 LEU 40 -2.048 -5.279 4.626 345 H THR 41 H THR 41 -2.996 -0.821 7.169 346 HA THR 41 HA THR 41 -4.325 1.849 7.123 347 HB THR 41 HB THR 41 -3.263 2.317 9.224 348 HG1 THR 41 1HG THR 41 -1.893 1.048 10.177 349 HG21 THR 41 1HG2 THR 41 -5.451 1.129 9.239 350 HG22 THR 41 2HG2 THR 41 -4.463 0.774 10.664 351 HG23 THR 41 3HG2 THR 41 -4.592 -0.422 9.355 352 H GLU 42 H GLU 42 -3.101 3.779 6.930 353 HA GLU 42 HA GLU 42 -0.926 3.665 5.090 354 HB2 GLU 42 2HB GLU 42 -0.755 6.001 5.323 355 HB3 GLU 42 3HB GLU 42 -2.459 5.575 5.316 356 HG2 GLU 42 2HG GLU 42 -0.757 6.438 7.691 357 HG3 GLU 42 3HG GLU 42 -2.024 7.367 6.909 358 H ALA 43 H ALA 43 -0.910 3.612 8.629 359 HA ALA 43 HA ALA 43 1.909 4.080 8.916 360 HB1 ALA 43 1HB ALA 43 1.550 3.219 11.202 361 HB2 ALA 43 2HB ALA 43 0.293 4.387 10.751 362 HB3 ALA 43 3HB ALA 43 -0.068 2.645 10.746 363 H ARG 44 H ARG 44 -0.013 1.033 8.577 364 HA ARG 44 HA ARG 44 2.247 -0.779 8.729 365 HB2 ARG 44 2HB ARG 44 -0.538 -0.991 7.545 366 HB3 ARG 44 3HB ARG 44 0.646 -2.291 7.382 367 HG2 ARG 44 2HG ARG 44 0.859 -2.551 9.772 368 HG3 ARG 44 3HG ARG 44 -0.145 -1.122 10.072 369 HD2 ARG 44 2HD ARG 44 -2.059 -2.250 8.939 370 HD3 ARG 44 3HD ARG 44 -1.056 -3.678 8.673 371 HE ARG 44 HE ARG 44 -1.440 -4.359 10.826 372 HH11 ARG 44 1HH1 ARG 44 -2.344 -0.971 10.690 373 HH12 ARG 44 2HH1 ARG 44 -2.906 -0.961 12.344 374 HH21 ARG 44 1HH2 ARG 44 -2.290 -4.291 12.908 375 HH22 ARG 44 2HH2 ARG 44 -2.830 -2.775 13.565 376 H VAL 45 H VAL 45 0.684 0.880 5.995 377 HA VAL 45 HA VAL 45 2.425 -0.136 3.946 378 HB VAL 45 HB VAL 45 0.748 2.384 4.164 379 HG11 VAL 45 1HG1 VAL 45 2.549 2.900 2.576 380 HG12 VAL 45 2HG1 VAL 45 2.235 1.370 1.716 381 HG13 VAL 45 3HG1 VAL 45 1.016 2.673 1.749 382 HG21 VAL 45 3HG2 VAL 45 0.451 -0.251 2.648 383 HG22 VAL 45 1HG2 VAL 45 -0.516 0.284 4.037 384 HG23 VAL 45 2HG2 VAL 45 -0.640 1.133 2.493 385 H ARG 46 H ARG 46 2.713 2.912 5.891 386 HA ARG 46 HA ARG 46 5.179 3.759 4.766 387 HB2 ARG 46 2HB ARG 46 3.617 5.100 6.166 388 HB3 ARG 46 3HB ARG 46 4.130 4.194 7.597 389 HG2 ARG 46 2HG ARG 46 6.455 5.030 7.273 390 HG3 ARG 46 3HG ARG 46 5.935 5.922 5.834 391 HD2 ARG 46 2HD ARG 46 4.891 6.343 8.668 392 HD3 ARG 46 3HD ARG 46 6.115 7.334 7.882 393 HE ARG 46 HE ARG 46 4.472 8.096 6.255 394 HH11 ARG 46 1HH2 ARG 46 3.045 6.640 9.111 395 HH12 ARG 46 2HH2 ARG 46 1.505 7.403 8.830 396 HH21 ARG 46 1HH1 ARG 46 2.509 9.026 5.972 397 HH22 ARG 46 2HH1 ARG 46 1.215 8.726 7.097 398 H VAL 47 H VAL 47 4.615 1.554 7.533 399 HA VAL 47 HA VAL 47 7.411 1.035 8.059 400 HB VAL 47 HB VAL 47 4.887 -0.545 8.651 401 HG11 VAL 47 1HG1 VAL 47 6.279 -1.893 10.222 402 HG12 VAL 47 2HG1 VAL 47 6.676 -2.211 8.536 403 HG13 VAL 47 3HG1 VAL 47 7.744 -1.176 9.515 404 HG21 VAL 47 3HG2 VAL 47 6.828 0.988 10.445 405 HG22 VAL 47 1HG2 VAL 47 5.262 1.605 9.897 406 HG23 VAL 47 2HG2 VAL 47 5.322 0.189 10.951 407 H TRP 48 H TRP 48 5.071 -0.601 5.835 408 HA TRP 48 HA TRP 48 6.810 -2.655 5.005 409 HB2 TRP 48 2HB TRP 48 4.344 -2.440 4.557 410 HB3 TRP 48 3HB TRP 48 4.727 -1.308 3.264 411 HD1 TRP 48 1HD TRP 48 4.539 -4.945 4.081 412 HE1 TRP 48 1HE TRP 48 5.162 -6.386 2.056 413 HE3 TRP 48 3HE TRP 48 6.359 -1.275 0.990 414 HZ2 TRP 48 2HZ TRP 48 6.321 -6.010 -0.565 415 HZ3 TRP 48 3HZ TRP 48 7.250 -1.854 -1.240 416 HH2 TRP 48 2HH TRP 48 7.241 -4.212 -2.032 417 H PHE 49 H PHE 49 6.501 0.655 3.620 418 HA PHE 49 HA PHE 49 8.414 0.313 1.531 419 HB2 PHE 49 2HB PHE 49 7.286 2.701 2.999 420 HB3 PHE 49 3HB PHE 49 8.631 2.917 1.897 421 HD1 PHE 49 1HD PHE 49 8.454 2.171 -0.519 422 HD2 PHE 49 2HD PHE 49 5.043 2.523 2.084 423 HE1 PHE 49 1HE PHE 49 6.945 2.214 -2.495 424 HE2 PHE 49 2HE PHE 49 3.539 2.540 0.111 425 HZ PHE 49 HZ PHE 49 4.481 2.395 -2.171 426 H LYS 50 H LYS 50 9.017 0.635 4.947 427 HA LYS 50 HA LYS 50 11.952 1.030 4.500 428 HB2 LYS 50 2HB LYS 50 10.144 1.119 6.927 429 HB3 LYS 50 3HB LYS 50 11.847 0.734 7.121 430 HG2 LYS 50 2HG LYS 50 11.495 3.080 7.502 431 HG3 LYS 50 3HG LYS 50 12.534 2.824 6.096 432 HD2 LYS 50 2HD LYS 50 10.714 3.413 4.571 433 HD3 LYS 50 3HD LYS 50 9.553 3.407 5.905 434 HE2 LYS 50 2HE LYS 50 10.055 5.692 5.364 435 HE3 LYS 50 3HE LYS 50 10.711 5.320 6.957 436 HZ1 LYS 50 3HZ LYS 50 12.303 5.411 4.443 437 HZ2 LYS 50 1HZ LYS 50 12.913 5.101 5.932 438 HZ3 LYS 50 2HZ LYS 50 12.292 6.567 5.593 439 H ASN 51 H ASN 51 9.667 -1.413 5.739 440 HA ASN 51 HA ASN 51 11.535 -3.408 6.423 441 HB2 ASN 51 2HB ASN 51 9.077 -3.302 6.985 442 HB3 ASN 51 3HB ASN 51 8.713 -3.762 5.318 443 HD21 ASN 51 1HD2 ASN 51 10.369 -4.871 8.295 444 HD22 ASN 51 2HD2 ASN 51 10.154 -6.572 7.934 445 H ARG 52 H ARG 52 10.021 -2.776 3.232 446 HA ARG 52 HA ARG 52 11.082 -5.056 1.922 447 HB2 ARG 52 2HB ARG 52 9.165 -3.730 1.110 448 HB3 ARG 52 3HB ARG 52 10.217 -2.352 0.794 449 HG2 ARG 52 2HG ARG 52 9.675 -3.529 -1.284 450 HG3 ARG 52 3HG ARG 52 11.397 -3.610 -0.960 451 HD2 ARG 52 2HD ARG 52 11.005 -5.948 0.033 452 HD3 ARG 52 3HD ARG 52 9.332 -5.810 -0.507 453 HE ARG 52 HE ARG 52 10.036 -6.340 -2.657 454 HH11 ARG 52 1HH2 ARG 52 12.975 -5.351 -0.932 455 HH12 ARG 52 2HH2 ARG 52 13.962 -5.878 -2.273 456 HH21 ARG 52 1HH1 ARG 52 11.274 -6.971 -4.146 457 HH22 ARG 52 2HH1 ARG 52 13.032 -6.795 -4.098 458 H ARG 53 H ARG 53 12.627 -1.930 2.463 459 HA ARG 53 HA ARG 53 14.972 -2.758 0.836 460 HB2 ARG 53 2HB ARG 53 15.789 -0.589 0.940 461 HB3 ARG 53 3HB ARG 53 14.060 -0.458 0.654 462 HG2 ARG 53 2HG ARG 53 13.815 -0.007 3.176 463 HG3 ARG 53 3HG ARG 53 15.582 0.084 3.241 464 HD2 ARG 53 2HD ARG 53 14.807 2.321 3.035 465 HD3 ARG 53 3HD ARG 53 15.433 1.877 1.439 466 HE ARG 53 HE ARG 53 12.512 1.538 2.021 467 HH11 ARG 53 1HH2 ARG 53 14.871 3.413 0.213 468 HH12 ARG 53 2HH2 ARG 53 13.638 4.087 -0.817 469 HH21 ARG 53 1HH1 ARG 53 11.071 2.397 0.764 470 HH22 ARG 53 2HH1 ARG 53 11.501 3.515 -0.520 471 H ALA 54 H ALA 54 14.082 -2.512 4.244 472 HA ALA 54 HA ALA 54 16.666 -3.093 5.323 473 HB1 ALA 54 1HB ALA 54 13.898 -3.836 6.367 474 HB2 ALA 54 2HB ALA 54 15.404 -3.805 7.305 475 HB3 ALA 54 3HB ALA 54 14.741 -2.295 6.653 476 H LYS 55 H LYS 55 14.072 -5.301 4.134 477 HA LYS 55 HA LYS 55 15.527 -7.757 4.567 478 HB2 LYS 55 2HB LYS 55 13.222 -6.927 2.764 479 HB3 LYS 55 3HB LYS 55 13.885 -8.566 2.720 480 HG2 LYS 55 2HG LYS 55 13.385 -8.967 5.029 481 HG3 LYS 55 3HG LYS 55 12.928 -7.277 5.307 482 HD2 LYS 55 2HD LYS 55 10.993 -7.471 3.880 483 HD3 LYS 55 3HD LYS 55 11.460 -9.106 3.356 484 HE2 LYS 55 2HE LYS 55 11.096 -10.031 5.537 485 HE3 LYS 55 3HE LYS 55 10.993 -8.430 6.281 486 HZ1 LYS 55 3HZ LYS 55 8.794 -9.453 5.944 487 HZ2 LYS 55 1HZ LYS 55 9.008 -9.444 4.322 488 HZ3 LYS 55 2HZ LYS 55 8.945 -8.025 5.160 489 H TRP 56 H TRP 56 15.688 -5.442 1.926 490 HA TRP 56 HA TRP 56 17.231 -7.117 0.124 491 HB2 TRP 56 2HB TRP 56 15.903 -5.336 -0.740 492 HB3 TRP 56 3HB TRP 56 16.641 -4.163 0.325 493 HD1 TRP 56 1HD TRP 56 18.144 -6.504 -2.387 494 HE1 TRP 56 1HE TRP 56 19.593 -5.080 -3.956 495 HE3 TRP 56 3HE TRP 56 17.572 -1.946 -0.112 496 HZ2 TRP 56 2HZ TRP 56 20.260 -2.291 -4.295 497 HZ3 TRP 56 3HZ TRP 56 18.576 0.093 -1.118 498 HH2 TRP 56 2HH TRP 56 19.885 -0.055 -3.223 499 H ARG 57 H ARG 57 18.168 -4.499 2.412 500 HA ARG 57 HA ARG 57 21.028 -5.008 1.882 501 HB2 ARG 57 2HB ARG 57 19.475 -2.918 3.440 502 HB3 ARG 57 3HB ARG 57 21.239 -3.006 3.528 503 HG2 ARG 57 2HG ARG 57 19.732 -2.806 0.902 504 HG3 ARG 57 3HG ARG 57 20.251 -1.383 1.812 505 HD2 ARG 57 2HD ARG 57 22.574 -1.991 1.603 506 HD3 ARG 57 3HD ARG 57 22.173 -3.559 0.882 507 HE ARG 57 HE ARG 57 20.982 -1.709 -0.810 508 HH11 ARG 57 1HH1 ARG 57 24.288 -2.316 0.208 509 HH12 ARG 57 2HH1 ARG 57 24.951 -1.756 -1.302 510 HH21 ARG 57 1HH2 ARG 57 21.902 -1.045 -2.713 511 HH22 ARG 57 2HH2 ARG 57 23.631 -1.041 -2.906 512 H LYS 58 H LYS 58 18.842 -5.717 4.483 513 HA LYS 58 HA LYS 58 18.937 -6.897 6.374 514 HB2 LYS 58 2HB LYS 58 21.328 -8.252 5.082 515 HB3 LYS 58 3HB LYS 58 20.468 -8.843 6.503 516 HG2 LYS 58 2HG LYS 58 18.366 -9.003 5.199 517 HG3 LYS 58 3HG LYS 58 19.221 -8.428 3.753 518 HD2 LYS 58 2HD LYS 58 20.694 -10.393 3.788 519 HD3 LYS 58 3HD LYS 58 19.975 -10.936 5.307 520 HE2 LYS 58 2HE LYS 58 19.066 -12.243 3.494 521 HE3 LYS 58 3HE LYS 58 17.793 -11.255 4.213 522 HZ1 LYS 58 3HZ LYS 58 17.946 -9.738 2.354 523 HZ2 LYS 58 1HZ LYS 58 17.769 -11.244 1.757 524 HZ3 LYS 58 2HZ LYS 58 19.239 -10.534 1.716 525 H ARG 59 H ARG 59 19.999 -7.502 8.347 526 HA ARG 59 HA ARG 59 22.293 -5.768 9.172 527 HB2 ARG 59 2HB ARG 59 19.969 -6.512 10.982 528 HB3 ARG 59 3HB ARG 59 21.327 -5.471 11.365 529 HG2 ARG 59 2HG ARG 59 18.966 -4.872 9.559 530 HG3 ARG 59 3HG ARG 59 19.381 -4.127 11.092 531 HD2 ARG 59 2HD ARG 59 20.680 -3.703 8.396 532 HD3 ARG 59 3HD ARG 59 19.847 -2.544 9.397 533 HE ARG 59 HE ARG 59 21.716 -2.627 11.004 534 HH11 ARG 59 1HH2 ARG 59 22.504 -3.857 7.782 535 HH12 ARG 59 2HH2 ARG 59 24.164 -3.348 7.932 536 HH21 ARG 59 1HH1 ARG 59 23.856 -2.096 11.110 537 HH22 ARG 59 2HH1 ARG 59 24.911 -2.433 9.771 538 H GLU 60 H GLU 60 23.656 -6.641 10.775 539 HA GLU 60 HA GLU 60 23.932 -9.571 10.632 540 HB2 GLU 60 2HB GLU 60 25.645 -7.410 11.909 541 HB3 GLU 60 3HB GLU 60 26.005 -9.143 11.969 542 HG2 GLU 60 2HG GLU 60 26.044 -9.222 9.483 543 HG3 GLU 60 3HG GLU 60 25.729 -7.488 9.421 544 H GLU 61 H GLU 61 22.932 -10.908 11.995 545 HA GLU 61 HA GLU 61 21.675 -9.986 14.446 546 HB2 GLU 61 2HB GLU 61 22.014 -12.771 13.269 547 HB3 GLU 61 3HB GLU 61 21.017 -12.375 14.674 548 HG2 GLU 61 2HG GLU 61 19.675 -10.805 13.269 549 HG3 GLU 61 3HG GLU 61 20.605 -11.300 11.852 550 H PHE 62 H PHE 62 24.809 -11.241 13.792 551 HA PHE 62 HA PHE 62 25.347 -11.657 16.698 552 HB2 PHE 62 2HB PHE 62 25.463 -13.686 15.208 553 HB3 PHE 62 3HB PHE 62 26.824 -12.939 14.385 554 HD1 PHE 62 1HD PHE 62 25.641 -13.812 17.870 555 HD2 PHE 62 2HD PHE 62 28.991 -13.512 15.168 556 HE1 PHE 62 1HE PHE 62 27.128 -14.795 19.600 557 HE2 PHE 62 2HE PHE 62 30.473 -14.498 16.899 558 HZ PHE 62 HZ PHE 62 29.546 -15.141 19.115 559 H ILE 63 H ILE 63 25.299 -9.095 15.484 560 HA ILE 63 HA ILE 63 27.894 -8.094 14.884 561 HB ILE 63 HB ILE 63 25.755 -6.981 14.354 562 HG12 ILE 63 2HG1 ILE 63 26.341 -4.662 14.817 563 HG13 ILE 63 3HG1 ILE 63 27.536 -5.154 16.012 564 HG21 ILE 63 1HG2 ILE 63 24.537 -7.388 16.485 565 HG22 ILE 63 2HG2 ILE 63 25.594 -6.213 17.301 566 HG23 ILE 63 3HG2 ILE 63 24.508 -5.694 16.003 567 HD11 ILE 63 3HD1 ILE 63 28.899 -6.211 14.247 568 HD12 ILE 63 1HD1 ILE 63 27.628 -5.875 13.044 569 HD13 ILE 63 2HD1 ILE 63 28.521 -4.541 13.804 570 H VAL 64 H VAL 64 26.474 -8.935 17.931 571 HA VAL 64 HA VAL 64 29.039 -8.474 19.280 572 HB VAL 64 HB VAL 64 27.720 -6.443 19.749 573 HG11 VAL 64 1HG1 VAL 64 25.428 -7.380 19.721 574 HG12 VAL 64 2HG1 VAL 64 25.767 -8.247 21.235 575 HG13 VAL 64 3HG1 VAL 64 25.768 -6.474 21.200 576 HG21 VAL 64 3HG2 VAL 64 28.072 -8.120 22.259 577 HG22 VAL 64 1HG2 VAL 64 29.387 -7.296 21.381 578 HG23 VAL 64 2HG2 VAL 64 28.082 -6.357 22.119 579 H THR 65 H THR 65 29.442 -9.935 20.958 580 HA THR 65 HA THR 65 28.218 -12.498 20.624 581 HB THR 65 HB THR 65 30.138 -11.640 22.816 582 HG1 THR 65 1HG THR 65 31.758 -12.126 21.339 583 HG21 THR 65 1HG2 THR 65 29.386 -13.950 23.108 584 HG22 THR 65 2HG2 THR 65 31.046 -13.956 22.511 585 HG23 THR 65 3HG2 THR 65 29.705 -14.307 21.397 586 H ASP 66 H ASP 66 27.691 -9.983 23.013 587 HA ASP 66 HA ASP 66 26.586 -11.624 25.110 588 HB2 ASP 66 2HB ASP 66 27.709 -9.482 25.509 589 HB3 ASP 66 3HB ASP 66 26.447 -8.629 24.628 Start of MODEL 6 1 H1 GLY -1 1H GLY -1 -18.857 -3.153 7.755 2 H2 GLY -1 2H GLY -1 -19.803 -4.303 8.438 3 H3 GLY -1 3H GLY -1 -18.214 -4.600 8.176 4 HA2 GLY -1 2HA GLY -1 -17.569 -2.898 9.761 5 HA3 GLY -1 3HA GLY -1 -19.292 -2.603 10.059 6 H SER 0 H SER 0 -19.475 -3.252 12.156 7 HA SER 0 HA SER 0 -19.565 -4.539 14.007 8 HB2 SER 0 2HB SER 0 -20.155 -6.754 12.027 9 HB3 SER 0 3HB SER 0 -20.603 -6.714 13.743 10 HG SER 0 HG SER 0 -22.325 -6.032 12.383 11 H GLN 1 H GLN 1 -16.870 -4.225 13.196 12 HA GLN 1 HA GLN 1 -15.611 -6.511 14.608 13 HB2 GLN 1 2HB GLN 1 -14.768 -5.417 11.887 14 HB3 GLN 1 3HB GLN 1 -13.688 -6.352 12.914 15 HG2 GLN 1 2HG GLN 1 -16.331 -7.404 11.822 16 HG3 GLN 1 3HG GLN 1 -14.748 -7.693 11.119 17 HE21 GLN 1 1HE2 GLN 1 -16.863 -8.509 13.853 18 HE22 GLN 1 2HE2 GLN 1 -15.855 -9.849 14.412 19 H ARG 2 H ARG 2 -13.515 -6.028 15.470 20 HA ARG 2 HA ARG 2 -13.289 -3.225 16.424 21 HB2 ARG 2 2HB ARG 2 -11.801 -5.722 17.322 22 HB3 ARG 2 3HB ARG 2 -11.818 -4.162 18.134 23 HG2 ARG 2 2HG ARG 2 -14.183 -6.061 17.840 24 HG3 ARG 2 3HG ARG 2 -13.233 -5.756 19.293 25 HD2 ARG 2 2HD ARG 2 -13.979 -3.383 19.283 26 HD3 ARG 2 3HD ARG 2 -14.987 -3.721 17.858 27 HE ARG 2 HE ARG 2 -15.678 -5.611 19.845 28 HH11 ARG 2 1HH1 ARG 2 -15.984 -2.143 19.434 29 HH12 ARG 2 2HH1 ARG 2 -17.408 -2.059 20.435 30 HH21 ARG 2 1HH2 ARG 2 -17.493 -5.430 21.112 31 HH22 ARG 2 2HH2 ARG 2 -18.233 -3.875 21.358 32 H ARG 3 H ARG 3 -12.234 -4.527 13.742 33 HA ARG 3 HA ARG 3 -10.489 -4.366 12.290 34 HB2 ARG 3 2HB ARG 3 -9.899 -1.757 13.742 35 HB3 ARG 3 3HB ARG 3 -9.193 -2.273 12.222 36 HG2 ARG 3 2HG ARG 3 -10.855 -0.796 11.575 37 HG3 ARG 3 3HG ARG 3 -11.498 -2.390 11.214 38 HD2 ARG 3 2HD ARG 3 -13.226 -0.922 12.103 39 HD3 ARG 3 3HD ARG 3 -12.960 -2.262 13.206 40 HE ARG 3 HE ARG 3 -11.429 0.190 13.787 41 HH11 ARG 3 1HH1 ARG 3 -14.386 -1.560 14.610 42 HH12 ARG 3 2HH1 ARG 3 -14.707 -0.492 15.949 43 HH21 ARG 3 1HH2 ARG 3 -11.871 1.399 15.577 44 HH22 ARG 3 2HH2 ARG 3 -13.292 1.073 16.524 45 H GLN 4 H GLN 4 -10.148 -6.033 14.418 46 HA GLN 4 HA GLN 4 -7.432 -5.840 15.448 47 HB2 GLN 4 2HB GLN 4 -7.973 -7.662 16.801 48 HB3 GLN 4 3HB GLN 4 -9.401 -6.649 16.777 49 HG2 GLN 4 2HG GLN 4 -9.010 -9.246 15.212 50 HG3 GLN 4 3HG GLN 4 -9.878 -9.085 16.720 51 HE21 GLN 4 1HE2 GLN 4 -11.081 -10.262 14.497 52 HE22 GLN 4 2HE2 GLN 4 -12.383 -9.212 13.953 53 H ARG 5 H ARG 5 -5.775 -7.350 15.164 54 HA ARG 5 HA ARG 5 -4.266 -8.521 13.894 55 HB2 ARG 5 2HB ARG 5 -5.822 -10.110 15.175 56 HB3 ARG 5 3HB ARG 5 -6.555 -10.487 13.617 57 HG2 ARG 5 2HG ARG 5 -4.207 -11.165 12.807 58 HG3 ARG 5 3HG ARG 5 -3.631 -10.848 14.445 59 HD2 ARG 5 2HD ARG 5 -3.995 -13.205 14.238 60 HD3 ARG 5 3HD ARG 5 -5.254 -12.557 15.305 61 HE ARG 5 HE ARG 5 -6.186 -12.600 12.583 62 HH11 ARG 5 1HH1 ARG 5 -5.548 -14.868 15.176 63 HH12 ARG 5 2HH1 ARG 5 -6.703 -16.027 14.571 64 HH21 ARG 5 1HH2 ARG 5 -7.647 -14.115 11.870 65 HH22 ARG 5 2HH2 ARG 5 -7.855 -15.604 12.744 66 H THR 6 H THR 6 -4.915 -6.602 12.247 67 HA THR 6 HA THR 6 -6.178 -7.277 9.796 68 HB THR 6 HB THR 6 -4.912 -5.184 8.960 69 HG1 THR 6 1HG THR 6 -4.341 -3.995 11.047 70 HG21 THR 6 1HG2 THR 6 -6.614 -4.983 11.481 71 HG22 THR 6 2HG2 THR 6 -7.232 -5.138 9.823 72 HG23 THR 6 3HG2 THR 6 -6.333 -3.688 10.293 73 H HIS 7 H HIS 7 -2.747 -7.409 10.654 74 HA HIS 7 HA HIS 7 -0.904 -8.315 9.662 75 HB2 HIS 7 2HB HIS 7 -2.452 -10.226 10.294 76 HB3 HIS 7 3HB HIS 7 -2.859 -10.362 8.587 77 HD2 HIS 7 2HD HIS 7 -1.819 -12.873 8.645 78 HE1 HIS 7 1HE HIS 7 2.274 -11.697 8.911 79 HE2 HIS 7 2HE HIS 7 0.695 -13.645 8.462 80 H PHE 8 H PHE 8 -0.451 -9.779 7.327 81 HA PHE 8 HA PHE 8 -1.207 -8.055 5.019 82 HB2 PHE 8 2HB PHE 8 1.534 -9.276 5.527 83 HB3 PHE 8 3HB PHE 8 1.037 -8.426 4.081 84 HD1 PHE 8 2HD PHE 8 2.065 -8.048 7.604 85 HD2 PHE 8 1HD PHE 8 0.940 -5.991 3.985 86 HE1 PHE 8 2HE PHE 8 3.112 -5.962 8.463 87 HE2 PHE 8 1HE PHE 8 1.989 -3.911 4.844 88 HZ PHE 8 HZ PHE 8 3.080 -3.894 7.078 89 H THR 9 H THR 9 -1.247 -9.221 2.991 90 HA THR 9 HA THR 9 -0.718 -12.137 3.044 91 HB THR 9 HB THR 9 -3.160 -11.858 3.381 92 HG1 THR 9 1HG THR 9 -3.628 -13.418 1.872 93 HG21 THR 9 1HG2 THR 9 -3.173 -10.807 0.513 94 HG22 THR 9 2HG2 THR 9 -3.631 -9.893 1.968 95 HG23 THR 9 3HG2 THR 9 -4.589 -11.286 1.469 96 H SER 10 H SER 10 -0.569 -13.069 0.816 97 HA SER 10 HA SER 10 1.603 -11.762 -0.434 98 HB2 SER 10 2HB SER 10 1.478 -13.570 -2.096 99 HB3 SER 10 3HB SER 10 1.319 -14.175 -0.439 100 HG SER 10 HG SER 10 -0.245 -15.107 -1.835 101 H GLN 11 H GLN 11 -1.829 -11.639 -1.339 102 HA GLN 11 HA GLN 11 -1.425 -10.394 -3.914 103 HB2 GLN 11 2HB GLN 11 -3.812 -10.338 -2.018 104 HB3 GLN 11 3HB GLN 11 -3.817 -9.733 -3.681 105 HG2 GLN 11 2HG GLN 11 -3.225 -12.009 -4.510 106 HG3 GLN 11 3HG GLN 11 -3.274 -12.624 -2.855 107 HE21 GLN 11 1HE2 GLN 11 -5.314 -11.174 -5.448 108 HE22 GLN 11 2HE2 GLN 11 -6.816 -11.811 -4.793 109 H GLN 12 H GLN 12 -1.818 -9.038 -0.627 110 HA GLN 12 HA GLN 12 -1.869 -6.245 -1.462 111 HB2 GLN 12 2HB GLN 12 -1.162 -7.530 1.210 112 HB3 GLN 12 3HB GLN 12 -1.442 -5.813 0.943 113 HG2 GLN 12 2HG GLN 12 -3.766 -6.177 0.400 114 HG3 GLN 12 3HG GLN 12 -3.579 -7.927 0.431 115 HE21 GLN 12 1HE2 GLN 12 -5.081 -5.744 2.205 116 HE22 GLN 12 2HE2 GLN 12 -4.753 -6.383 3.815 117 H LEU 13 H LEU 13 0.634 -8.500 -0.281 118 HA LEU 13 HA LEU 13 2.788 -6.607 -0.239 119 HB2 LEU 13 2HB LEU 13 2.729 -9.642 -0.422 120 HB3 LEU 13 3HB LEU 13 4.194 -8.709 -0.136 121 HG LEU 13 HG LEU 13 1.768 -8.572 1.716 122 HD11 LEU 13 1HD1 LEU 13 2.642 -10.869 1.674 123 HD12 LEU 13 2HD1 LEU 13 2.999 -10.074 3.212 124 HD13 LEU 13 3HD1 LEU 13 4.282 -10.261 1.993 125 HD21 LEU 13 3HD2 LEU 13 3.300 -6.649 1.921 126 HD22 LEU 13 1HD2 LEU 13 4.676 -7.765 2.116 127 HD23 LEU 13 2HD2 LEU 13 3.396 -7.691 3.342 128 H GLN 14 H GLN 14 1.630 -8.764 -2.860 129 HA GLN 14 HA GLN 14 3.752 -7.953 -4.689 130 HB2 GLN 14 2HB GLN 14 1.133 -9.441 -5.035 131 HB3 GLN 14 3HB GLN 14 2.189 -9.037 -6.400 132 HG2 GLN 14 2HG GLN 14 4.054 -10.239 -5.455 133 HG3 GLN 14 3HG GLN 14 3.185 -10.537 -3.947 134 HE21 GLN 14 1HE2 GLN 14 1.130 -11.830 -4.132 135 HE22 GLN 14 2HE2 GLN 14 1.095 -13.135 -5.330 136 H GLU 15 H GLU 15 0.405 -6.764 -4.103 137 HA GLU 15 HA GLU 15 0.455 -4.827 -6.233 138 HB2 GLU 15 2HB GLU 15 -1.555 -5.587 -4.851 139 HB3 GLU 15 3HB GLU 15 -0.937 -4.584 -3.541 140 HG2 GLU 15 2HG GLU 15 -2.602 -3.307 -4.645 141 HG3 GLU 15 3HG GLU 15 -1.072 -2.593 -5.128 142 H LEU 16 H LEU 16 1.696 -4.767 -2.880 143 HA LEU 16 HA LEU 16 2.632 -2.025 -2.985 144 HB2 LEU 16 2HB LEU 16 3.052 -4.399 -1.176 145 HB3 LEU 16 3HB LEU 16 4.135 -3.026 -1.038 146 HG LEU 16 HG LEU 16 1.136 -2.593 -0.974 147 HD11 LEU 16 1HD1 LEU 16 1.333 -2.632 1.514 148 HD12 LEU 16 2HD1 LEU 16 3.003 -3.217 1.365 149 HD13 LEU 16 3HD1 LEU 16 1.650 -4.223 0.803 150 HD21 LEU 16 3HD2 LEU 16 2.549 -0.599 -1.276 151 HD22 LEU 16 1HD2 LEU 16 3.499 -1.039 0.160 152 HD23 LEU 16 2HD2 LEU 16 1.789 -0.599 0.321 153 H GLU 17 H GLU 17 4.258 -5.161 -3.706 154 HA GLU 17 HA GLU 17 6.788 -4.030 -4.364 155 HB2 GLU 17 2HB GLU 17 6.355 -6.449 -4.017 156 HB3 GLU 17 3HB GLU 17 5.423 -6.494 -5.510 157 HG2 GLU 17 2HG GLU 17 7.666 -7.384 -5.857 158 HG3 GLU 17 3HG GLU 17 7.392 -5.951 -6.835 159 H ALA 18 H ALA 18 3.935 -4.621 -6.507 160 HA ALA 18 HA ALA 18 5.088 -3.465 -8.855 161 HB1 ALA 18 1HB ALA 18 2.745 -3.314 -9.614 162 HB2 ALA 18 2HB ALA 18 3.071 -4.882 -8.848 163 HB3 ALA 18 3HB ALA 18 2.175 -3.628 -7.962 164 H THR 19 H THR 19 3.249 -1.964 -6.176 165 HA THR 19 HA THR 19 3.183 0.716 -7.169 166 HB THR 19 HB THR 19 3.241 -0.286 -4.297 167 HG1 THR 19 1HG THR 19 1.498 -1.098 -5.399 168 HG21 THR 19 1HG2 THR 19 2.123 2.340 -5.342 169 HG22 THR 19 2HG2 THR 19 3.655 2.191 -4.459 170 HG23 THR 19 3HG2 THR 19 2.143 1.732 -3.663 171 H PHE 20 H PHE 20 5.633 -0.912 -5.083 172 HA PHE 20 HA PHE 20 7.397 1.296 -4.780 173 HB2 PHE 20 2HB PHE 20 7.391 -0.728 -3.414 174 HB3 PHE 20 3HB PHE 20 7.896 -1.706 -4.777 175 HD1 PHE 20 1HD PHE 20 8.965 0.839 -2.310 176 HD2 PHE 20 2HD PHE 20 10.222 -1.758 -5.514 177 HE1 PHE 20 1HE PHE 20 11.336 1.203 -1.683 178 HE2 PHE 20 2HE PHE 20 12.597 -1.376 -4.889 179 HZ PHE 20 HZ PHE 20 13.154 0.098 -2.961 180 H GLN 21 H GLN 21 7.327 -1.275 -7.294 181 HA GLN 21 HA GLN 21 9.643 -0.281 -8.709 182 HB2 GLN 21 2HB GLN 21 7.362 -2.119 -9.527 183 HB3 GLN 21 3HB GLN 21 8.745 -1.738 -10.563 184 HG2 GLN 21 2HG GLN 21 10.307 -2.639 -8.875 185 HG3 GLN 21 3HG GLN 21 8.970 -3.001 -7.794 186 HE21 GLN 21 1HE2 GLN 21 9.621 -5.265 -7.782 187 HE22 GLN 21 2HE2 GLN 21 9.308 -6.270 -9.202 188 H ARG 22 H ARG 22 6.211 0.605 -8.866 189 HA ARG 22 HA ARG 22 6.560 2.315 -11.216 190 HB2 ARG 22 2HB ARG 22 4.420 1.228 -10.781 191 HB3 ARG 22 3HB ARG 22 4.296 2.000 -9.202 192 HG2 ARG 22 2HG ARG 22 2.826 3.079 -10.829 193 HG3 ARG 22 3HG ARG 22 4.039 4.202 -10.228 194 HD2 ARG 22 2HD ARG 22 5.387 3.714 -12.368 195 HD3 ARG 22 3HD ARG 22 4.003 2.781 -12.926 196 HE ARG 22 HE ARG 22 2.827 4.749 -13.325 197 HH11 ARG 22 1HH2 ARG 22 5.720 5.641 -11.500 198 HH12 ARG 22 2HH2 ARG 22 5.508 7.332 -11.876 199 HH21 ARG 22 1HH1 ARG 22 2.639 6.920 -13.712 200 HH22 ARG 22 2HH1 ARG 22 3.810 8.031 -13.065 201 H ASN 23 H ASN 23 6.616 2.860 -7.706 202 HA ASN 23 HA ASN 23 8.011 5.408 -8.122 203 HB2 ASN 23 2HB ASN 23 5.609 6.063 -8.140 204 HB3 ASN 23 3HB ASN 23 5.378 5.283 -6.574 205 HD21 ASN 23 1HD2 ASN 23 4.665 7.897 -6.772 206 HD22 ASN 23 2HD2 ASN 23 5.864 8.912 -5.981 207 H ARG 24 H ARG 24 9.728 5.245 -6.848 208 HA ARG 24 HA ARG 24 9.754 3.356 -4.600 209 HB2 ARG 24 2HB ARG 24 11.541 3.889 -6.582 210 HB3 ARG 24 3HB ARG 24 12.212 4.913 -5.305 211 HG2 ARG 24 2HG ARG 24 12.170 2.915 -3.776 212 HG3 ARG 24 3HG ARG 24 11.546 1.944 -5.124 213 HD2 ARG 24 2HD ARG 24 14.244 3.364 -5.040 214 HD3 ARG 24 3HD ARG 24 13.979 1.652 -4.745 215 HE ARG 24 HE ARG 24 13.265 1.342 -7.042 216 HH11 ARG 24 1HH1 ARG 24 14.961 4.364 -6.509 217 HH12 ARG 24 2HH1 ARG 24 15.301 4.571 -8.205 218 HH21 ARG 24 1HH2 ARG 24 13.774 1.652 -9.175 219 HH22 ARG 24 2HH2 ARG 24 14.668 3.060 -9.662 220 H TYR 25 H TYR 25 9.016 6.587 -4.777 221 HA TYR 25 HA TYR 25 9.518 7.038 -1.899 222 HB2 TYR 25 2HB TYR 25 10.523 9.274 -2.394 223 HB3 TYR 25 3HB TYR 25 11.512 7.899 -2.804 224 HD1 TYR 25 2HD TYR 25 11.999 7.283 -5.148 225 HD2 TYR 25 1HD TYR 25 9.741 10.824 -4.161 226 HE1 TYR 25 2HE TYR 25 12.342 8.149 -7.457 227 HE2 TYR 25 1HE TYR 25 10.090 11.687 -6.463 228 HH TYR 25 HH TYR 25 11.016 11.304 -8.525 229 HA PRO 26 HA PRO 26 5.404 8.646 -3.638 230 HB2 PRO 26 2HB PRO 26 3.657 7.121 -2.174 231 HB3 PRO 26 3HB PRO 26 4.349 6.606 -3.743 232 HG2 PRO 26 2HG PRO 26 5.313 5.885 -0.957 233 HG3 PRO 26 3HG PRO 26 5.010 4.796 -2.347 234 HD2 PRO 26 2HD PRO 26 7.507 5.694 -1.756 235 HD3 PRO 26 3HD PRO 26 6.963 5.514 -3.451 236 H ASP 27 H ASP 27 4.176 10.209 -2.656 237 HA ASP 27 HA ASP 27 4.951 11.199 -0.022 238 HB2 ASP 27 2HB ASP 27 4.401 12.629 -2.037 239 HB3 ASP 27 3HB ASP 27 2.713 12.145 -1.853 240 H MET 28 H MET 28 3.284 11.673 1.683 241 HA MET 28 HA MET 28 2.133 9.233 2.529 242 HB2 MET 28 2HB MET 28 1.593 12.038 3.576 243 HB3 MET 28 3HB MET 28 1.250 10.524 4.424 244 HG2 MET 28 2HG MET 28 3.989 11.564 3.615 245 HG3 MET 28 3HG MET 28 3.330 11.530 5.241 246 HE1 MET 28 3HE MET 28 6.388 8.811 4.236 247 HE2 MET 28 1HE MET 28 5.813 9.966 3.013 248 HE3 MET 28 2HE MET 28 6.171 10.521 4.668 249 H SER 29 H SER 29 0.584 11.853 0.695 250 HA SER 29 HA SER 29 -2.134 10.881 1.068 251 HB2 SER 29 2HB SER 29 -2.666 12.338 -0.831 252 HB3 SER 29 3HB SER 29 -1.697 13.179 0.391 253 HG SER 29 HG SER 29 -0.912 13.580 -1.722 254 H THR 30 H THR 30 0.466 10.149 -1.228 255 HA THR 30 HA THR 30 -1.146 8.404 -2.946 256 HB THR 30 HB THR 30 1.872 8.647 -2.627 257 HG1 THR 30 1HG THR 30 0.691 10.486 -3.452 258 HG21 THR 30 1HG2 THR 30 0.214 7.253 -4.772 259 HG22 THR 30 2HG2 THR 30 1.346 6.477 -3.642 260 HG23 THR 30 3HG2 THR 30 1.957 7.584 -4.877 261 H ARG 31 H ARG 31 1.132 7.920 -0.209 262 HA ARG 31 HA ARG 31 0.857 5.072 -0.029 263 HB2 ARG 31 2HB ARG 31 1.428 7.108 2.162 264 HB3 ARG 31 3HB ARG 31 1.559 5.362 2.352 265 HG2 ARG 31 2HG ARG 31 3.246 5.307 0.482 266 HG3 ARG 31 3HG ARG 31 3.163 7.070 0.415 267 HD2 ARG 31 2HD ARG 31 3.730 6.916 2.995 268 HD3 ARG 31 3HD ARG 31 4.298 5.291 2.569 269 HE ARG 31 HE ARG 31 5.252 7.550 0.895 270 HH11 ARG 31 1HH1 ARG 31 6.178 5.504 3.582 271 HH12 ARG 31 2HH1 ARG 31 7.857 5.951 3.428 272 HH21 ARG 31 1HH2 ARG 31 7.263 8.059 0.749 273 HH22 ARG 31 2HH2 ARG 31 8.480 7.393 1.824 274 H GLU 32 H GLU 32 -1.140 7.647 1.466 275 HA GLU 32 HA GLU 32 -2.902 5.863 2.834 276 HB2 GLU 32 2HB GLU 32 -2.694 8.266 3.340 277 HB3 GLU 32 3HB GLU 32 -3.378 8.678 1.761 278 HG2 GLU 32 2HG GLU 32 -5.518 7.592 2.412 279 HG3 GLU 32 3HG GLU 32 -4.815 7.144 3.968 280 H GLU 33 H GLU 33 -3.156 7.228 -0.517 281 HA GLU 33 HA GLU 33 -5.652 5.919 -1.125 282 HB2 GLU 33 2HB GLU 33 -3.348 6.969 -2.798 283 HB3 GLU 33 3HB GLU 33 -4.615 6.015 -3.549 284 HG2 GLU 33 2HG GLU 33 -5.076 8.570 -1.965 285 HG3 GLU 33 3HG GLU 33 -5.014 8.455 -3.721 286 H ILE 34 H ILE 34 -2.245 4.731 -1.732 287 HA ILE 34 HA ILE 34 -3.320 2.239 -2.680 288 HB ILE 34 HB ILE 34 -1.119 1.359 -2.768 289 HG12 ILE 34 2HG1 ILE 34 0.850 2.917 -2.241 290 HG13 ILE 34 3HG1 ILE 34 -0.254 3.787 -1.193 291 HG21 ILE 34 1HG2 ILE 34 -1.958 2.991 -4.483 292 HG22 ILE 34 2HG2 ILE 34 -1.063 4.273 -3.636 293 HG23 ILE 34 3HG2 ILE 34 -0.195 2.910 -4.361 294 HD11 ILE 34 3HD1 ILE 34 -0.396 1.968 0.324 295 HD12 ILE 34 1HD1 ILE 34 0.199 0.801 -0.886 296 HD13 ILE 34 2HD1 ILE 34 1.298 1.999 -0.179 297 H ALA 35 H ALA 35 -2.665 3.291 0.600 298 HA ALA 35 HA ALA 35 -2.920 0.719 1.856 299 HB1 ALA 35 1HB ALA 35 -2.091 2.823 2.979 300 HB2 ALA 35 2HB ALA 35 -3.748 3.443 2.952 301 HB3 ALA 35 3HB ALA 35 -3.359 1.986 3.875 302 H VAL 36 H VAL 36 -5.368 3.203 0.965 303 HA VAL 36 HA VAL 36 -7.694 1.702 1.749 304 HB VAL 36 HB VAL 36 -7.232 3.981 -0.204 305 HG11 VAL 36 1HG1 VAL 36 -9.188 2.819 -1.087 306 HG12 VAL 36 2HG1 VAL 36 -9.917 2.766 0.538 307 HG13 VAL 36 3HG1 VAL 36 -9.658 4.319 -0.297 308 HG21 VAL 36 3HG2 VAL 36 -8.682 3.837 2.468 309 HG22 VAL 36 1HG2 VAL 36 -7.033 4.452 2.236 310 HG23 VAL 36 2HG2 VAL 36 -8.394 5.292 1.485 311 H TRP 37 H TRP 37 -5.910 1.842 -1.380 312 HA TRP 37 HA TRP 37 -7.702 0.117 -2.790 313 HB2 TRP 37 2HB TRP 37 -4.744 0.550 -3.264 314 HB3 TRP 37 3HB TRP 37 -5.881 -0.129 -4.410 315 HD1 TRP 37 1HD TRP 37 -7.584 2.801 -3.027 316 HE1 TRP 37 1HE TRP 37 -7.109 4.963 -4.338 317 HE3 TRP 37 3HE TRP 37 -3.750 1.128 -5.979 318 HZ2 TRP 37 2HZ TRP 37 -5.407 5.801 -6.494 319 HZ3 TRP 37 3HZ TRP 37 -2.709 2.642 -7.653 320 HH2 TRP 37 2HH TRP 37 -3.519 4.976 -7.915 321 H THR 38 H THR 38 -4.812 -0.661 -0.834 322 HA THR 38 HA THR 38 -5.072 -3.561 -1.356 323 HB THR 38 HB THR 38 -3.151 -3.776 0.207 324 HG1 THR 38 1HG THR 38 -2.986 -0.968 0.054 325 HG21 THR 38 1HG2 THR 38 -2.736 -3.580 -2.188 326 HG22 THR 38 2HG2 THR 38 -1.461 -2.783 -1.251 327 HG23 THR 38 3HG2 THR 38 -2.703 -1.808 -2.070 328 H ASN 39 H ASN 39 -6.553 -1.442 0.811 329 HA ASN 39 HA ASN 39 -7.612 -1.570 2.745 330 HB2 ASN 39 2HB ASN 39 -8.757 -3.484 1.422 331 HB3 ASN 39 3HB ASN 39 -7.870 -4.579 2.486 332 HD21 ASN 39 2HD2 ASN 39 -8.172 -4.032 4.926 333 HD22 ASN 39 1HD2 ASN 39 -9.829 -3.618 5.394 334 H LEU 40 H LEU 40 -5.073 -1.227 3.039 335 HA LEU 40 HA LEU 40 -4.297 -2.655 5.556 336 HB2 LEU 40 2HB LEU 40 -2.583 -1.295 3.435 337 HB3 LEU 40 3HB LEU 40 -1.971 -1.804 5.000 338 HG LEU 40 HG LEU 40 -3.098 -3.677 2.871 339 HD11 LEU 40 1HD1 LEU 40 -0.738 -4.397 2.679 340 HD12 LEU 40 2HD1 LEU 40 -0.256 -3.142 3.840 341 HD13 LEU 40 3HD1 LEU 40 -0.940 -2.689 2.262 342 HD21 LEU 40 3HD2 LEU 40 -2.083 -5.443 4.354 343 HD22 LEU 40 1HD2 LEU 40 -3.481 -4.641 5.068 344 HD23 LEU 40 2HD2 LEU 40 -1.833 -4.208 5.595 345 H THR 41 H THR 41 -2.982 -1.185 7.020 346 HA THR 41 HA THR 41 -4.271 1.473 7.301 347 HB THR 41 HB THR 41 -3.093 1.650 9.403 348 HG1 THR 41 1HG THR 41 -1.916 -0.227 10.117 349 HG21 THR 41 1HG2 THR 41 -4.288 -1.149 9.220 350 HG22 THR 41 2HG2 THR 41 -5.233 0.349 9.374 351 HG23 THR 41 3HG2 THR 41 -4.127 -0.135 10.670 352 H GLU 42 H GLU 42 -2.985 3.442 7.388 353 HA GLU 42 HA GLU 42 -0.787 3.546 5.535 354 HB2 GLU 42 2HB GLU 42 -0.428 5.804 6.261 355 HB3 GLU 42 3HB GLU 42 -2.137 5.513 5.952 356 HG2 GLU 42 2HG GLU 42 -2.667 5.486 8.306 357 HG3 GLU 42 3HG GLU 42 -0.970 5.388 8.770 358 H ALA 43 H ALA 43 -0.872 2.824 8.982 359 HA ALA 43 HA ALA 43 1.932 3.224 9.502 360 HB1 ALA 43 1HB ALA 43 0.225 3.163 11.274 361 HB2 ALA 43 2HB ALA 43 -0.133 1.462 10.895 362 HB3 ALA 43 3HB ALA 43 1.459 1.917 11.538 363 H ARG 44 H ARG 44 0.032 0.280 8.584 364 HA ARG 44 HA ARG 44 2.301 -1.499 8.398 365 HB2 ARG 44 2HB ARG 44 -0.481 -1.494 7.167 366 HB3 ARG 44 3HB ARG 44 0.717 -2.715 6.740 367 HG2 ARG 44 2HG ARG 44 1.023 -3.227 9.185 368 HG3 ARG 44 3HG ARG 44 -0.327 -2.138 9.535 369 HD2 ARG 44 2HD ARG 44 -1.733 -3.517 7.936 370 HD3 ARG 44 3HD ARG 44 -0.411 -4.682 7.835 371 HE ARG 44 HE ARG 44 -2.358 -4.391 9.954 372 HH11 ARG 44 1HH1 ARG 44 0.907 -5.540 9.456 373 HH12 ARG 44 2HH1 ARG 44 0.927 -6.387 10.982 374 HH21 ARG 44 1HH2 ARG 44 -2.280 -5.398 11.819 375 HH22 ARG 44 2HH2 ARG 44 -0.858 -6.291 12.328 376 H VAL 45 H VAL 45 0.755 0.573 5.956 377 HA VAL 45 HA VAL 45 2.521 -0.106 3.797 378 HB VAL 45 HB VAL 45 0.762 2.286 4.394 379 HG11 VAL 45 1HG1 VAL 45 2.379 1.819 1.866 380 HG12 VAL 45 2HG1 VAL 45 1.051 2.996 2.055 381 HG13 VAL 45 3HG1 VAL 45 2.530 3.197 2.986 382 HG21 VAL 45 3HG2 VAL 45 0.621 -0.026 2.402 383 HG22 VAL 45 1HG2 VAL 45 -0.362 0.157 3.870 384 HG23 VAL 45 2HG2 VAL 45 -0.555 1.287 2.530 385 H ARG 46 H ARG 46 2.777 2.563 6.217 386 HA ARG 46 HA ARG 46 5.217 3.607 5.152 387 HB2 ARG 46 2HB ARG 46 3.605 4.797 6.603 388 HB3 ARG 46 3HB ARG 46 4.100 3.805 7.983 389 HG2 ARG 46 2HG ARG 46 6.372 4.739 7.867 390 HG3 ARG 46 3HG ARG 46 5.967 5.634 6.393 391 HD2 ARG 46 2HD ARG 46 4.653 6.044 9.115 392 HD3 ARG 46 3HD ARG 46 5.949 7.035 8.458 393 HE ARG 46 HE ARG 46 4.482 7.816 6.687 394 HH11 ARG 46 1HH1 ARG 46 2.683 6.263 9.326 395 HH12 ARG 46 2HH1 ARG 46 1.206 7.074 8.784 396 HH21 ARG 46 1HH2 ARG 46 2.484 8.720 6.195 397 HH22 ARG 46 2HH2 ARG 46 1.107 8.297 7.224 398 H VAL 47 H VAL 47 4.694 1.131 7.709 399 HA VAL 47 HA VAL 47 7.520 0.711 8.205 400 HB VAL 47 HB VAL 47 5.105 -1.084 8.629 401 HG11 VAL 47 1HG1 VAL 47 8.009 -1.550 9.467 402 HG12 VAL 47 2HG1 VAL 47 6.609 -2.448 10.098 403 HG13 VAL 47 3HG1 VAL 47 7.038 -2.580 8.394 404 HG21 VAL 47 3HG2 VAL 47 5.470 -0.527 10.996 405 HG22 VAL 47 1HG2 VAL 47 6.903 0.440 10.579 406 HG23 VAL 47 2HG2 VAL 47 5.289 0.967 10.071 407 H TRP 48 H TRP 48 5.224 -0.870 5.891 408 HA TRP 48 HA TRP 48 7.127 -2.683 4.826 409 HB2 TRP 48 2HB TRP 48 4.664 -2.784 4.479 410 HB3 TRP 48 3HB TRP 48 4.780 -1.413 3.371 411 HD1 TRP 48 1HD TRP 48 5.308 -5.137 3.597 412 HE1 TRP 48 1HE TRP 48 6.043 -6.103 1.334 413 HE3 TRP 48 3HE TRP 48 6.066 -0.758 1.049 414 HZ2 TRP 48 2HZ TRP 48 6.942 -5.103 -1.227 415 HZ3 TRP 48 3HZ TRP 48 6.895 -0.788 -1.271 416 HH2 TRP 48 2HH TRP 48 7.351 -2.953 -2.422 417 H PHE 49 H PHE 49 6.333 0.660 3.671 418 HA PHE 49 HA PHE 49 8.297 0.614 1.578 419 HB2 PHE 49 2HB PHE 49 6.632 2.721 2.898 420 HB3 PHE 49 3HB PHE 49 8.094 3.262 2.092 421 HD1 PHE 49 1HD PHE 49 8.453 3.001 -0.314 422 HD2 PHE 49 2HD PHE 49 4.786 1.714 1.550 423 HE1 PHE 49 1HE PHE 49 7.392 2.771 -2.551 424 HE2 PHE 49 2HE PHE 49 3.735 1.476 -0.680 425 HZ PHE 49 HZ PHE 49 5.048 1.978 -2.735 426 H LYS 50 H LYS 50 8.612 1.727 4.997 427 HA LYS 50 HA LYS 50 11.336 2.589 4.780 428 HB2 LYS 50 2HB LYS 50 9.821 3.053 6.691 429 HB3 LYS 50 3HB LYS 50 9.880 1.348 7.159 430 HG2 LYS 50 2HG LYS 50 12.327 1.536 7.548 431 HG3 LYS 50 3HG LYS 50 12.280 3.232 7.027 432 HD2 LYS 50 2HD LYS 50 10.747 3.763 8.910 433 HD3 LYS 50 3HD LYS 50 10.787 2.061 9.421 434 HE2 LYS 50 2HE LYS 50 13.249 2.220 9.741 435 HE3 LYS 50 3HE LYS 50 13.208 3.915 9.236 436 HZ1 LYS 50 3HZ LYS 50 11.824 2.818 11.630 437 HZ2 LYS 50 1HZ LYS 50 11.784 4.384 11.163 438 HZ3 LYS 50 2HZ LYS 50 13.187 3.713 11.656 439 H ASN 51 H ASN 51 10.005 -0.631 5.558 440 HA ASN 51 HA ASN 51 12.489 -1.990 5.869 441 HB2 ASN 51 2HB ASN 51 10.151 -2.682 6.607 442 HB3 ASN 51 3HB ASN 51 9.803 -3.122 4.939 443 HD21 ASN 51 1HD2 ASN 51 11.486 -3.990 7.876 444 HD22 ASN 51 2HD2 ASN 51 12.018 -5.567 7.317 445 H ARG 52 H ARG 52 10.379 -1.678 2.971 446 HA ARG 52 HA ARG 52 12.060 -3.202 1.233 447 HB2 ARG 52 2HB ARG 52 9.596 -2.748 0.935 448 HB3 ARG 52 3HB ARG 52 9.986 -1.075 0.534 449 HG2 ARG 52 2HG ARG 52 9.633 -2.239 -1.519 450 HG3 ARG 52 3HG ARG 52 11.359 -1.930 -1.405 451 HD2 ARG 52 2HD ARG 52 11.702 -4.292 -0.613 452 HD3 ARG 52 3HD ARG 52 9.962 -4.557 -0.773 453 HE ARG 52 HE ARG 52 10.174 -4.734 -3.066 454 HH11 ARG 52 1HH1 ARG 52 13.224 -3.417 -1.908 455 HH12 ARG 52 2HH1 ARG 52 14.000 -3.688 -3.446 456 HH21 ARG 52 1HH2 ARG 52 11.139 -4.856 -4.993 457 HH22 ARG 52 2HH2 ARG 52 12.839 -4.473 -5.168 458 H ARG 53 H ARG 53 11.907 0.331 1.785 459 HA ARG 53 HA ARG 53 13.952 1.013 -0.156 460 HB2 ARG 53 2HB ARG 53 12.880 2.460 2.301 461 HB3 ARG 53 3HB ARG 53 14.159 3.113 1.273 462 HG2 ARG 53 2HG ARG 53 12.689 3.043 -0.700 463 HG3 ARG 53 3HG ARG 53 11.387 2.347 0.269 464 HD2 ARG 53 2HD ARG 53 11.003 4.735 -0.061 465 HD3 ARG 53 3HD ARG 53 11.253 4.358 1.640 466 HE ARG 53 HE ARG 53 13.178 5.635 1.668 467 HH11 ARG 53 1HH1 ARG 53 12.278 5.315 -1.727 468 HH12 ARG 53 2HH1 ARG 53 13.626 6.304 -2.234 469 HH21 ARG 53 1HH2 ARG 53 14.782 6.953 0.923 470 HH22 ARG 53 2HH2 ARG 53 14.944 7.258 -0.778 471 H ALA 54 H ALA 54 14.184 0.175 3.338 472 HA ALA 54 HA ALA 54 17.012 0.549 3.503 473 HB1 ALA 54 1HB ALA 54 16.834 -0.864 5.517 474 HB2 ALA 54 2HB ALA 54 15.544 0.351 5.463 475 HB3 ALA 54 3HB ALA 54 15.188 -1.342 5.055 476 H LYS 55 H LYS 55 15.121 -2.410 2.677 477 HA LYS 55 HA LYS 55 17.371 -4.112 2.133 478 HB2 LYS 55 2HB LYS 55 14.473 -4.099 1.209 479 HB3 LYS 55 3HB LYS 55 15.619 -5.345 0.691 480 HG2 LYS 55 2HG LYS 55 16.026 -6.079 2.938 481 HG3 LYS 55 3HG LYS 55 15.134 -4.715 3.631 482 HD2 LYS 55 2HD LYS 55 13.037 -5.527 2.712 483 HD3 LYS 55 3HD LYS 55 13.865 -6.850 1.859 484 HE2 LYS 55 2HE LYS 55 14.530 -7.889 3.939 485 HE3 LYS 55 3HE LYS 55 14.006 -6.484 4.878 486 HZ1 LYS 55 3HZ LYS 55 12.375 -8.310 4.931 487 HZ2 LYS 55 1HZ LYS 55 12.146 -8.190 3.315 488 HZ3 LYS 55 2HZ LYS 55 11.747 -6.935 4.306 489 H TRP 56 H TRP 56 15.553 -1.955 -0.077 490 HA TRP 56 HA TRP 56 17.097 -2.509 -2.424 491 HB2 TRP 56 2HB TRP 56 14.976 -1.388 -2.540 492 HB3 TRP 56 3HB TRP 56 15.533 -0.080 -1.510 493 HD1 TRP 56 1HD TRP 56 16.208 -1.500 -5.037 494 HE1 TRP 56 1HE TRP 56 16.954 0.410 -6.579 495 HE3 TRP 56 3HE TRP 56 16.395 2.293 -1.593 496 HZ2 TRP 56 2HZ TRP 56 17.577 3.218 -6.348 497 HZ3 TRP 56 3HZ TRP 56 17.058 4.583 -2.290 498 HH2 TRP 56 2HH TRP 56 17.653 5.058 -4.654 499 H ARG 57 H ARG 57 17.568 0.080 0.053 500 HA ARG 57 HA ARG 57 19.957 1.172 -1.031 501 HB2 ARG 57 2HB ARG 57 18.496 2.185 0.720 502 HB3 ARG 57 3HB ARG 57 19.082 0.992 1.885 503 HG2 ARG 57 2HG ARG 57 21.401 1.910 1.626 504 HG3 ARG 57 3HG ARG 57 20.790 3.060 0.425 505 HD2 ARG 57 2HD ARG 57 20.997 4.210 2.522 506 HD3 ARG 57 3HD ARG 57 19.273 4.020 2.161 507 HE ARG 57 HE ARG 57 20.300 1.853 3.809 508 HH11 ARG 57 1HH2 ARG 57 19.217 5.172 4.090 509 HH12 ARG 57 2HH2 ARG 57 18.778 4.982 5.764 510 HH21 ARG 57 1HH1 ARG 57 19.724 1.680 5.948 511 HH22 ARG 57 2HH1 ARG 57 19.065 3.056 6.783 512 H LYS 58 H LYS 58 19.557 -1.600 1.165 513 HA LYS 58 HA LYS 58 22.379 -2.117 1.510 514 HB2 LYS 58 2HB LYS 58 20.603 -2.864 3.070 515 HB3 LYS 58 3HB LYS 58 19.944 -3.925 1.831 516 HG2 LYS 58 2HG LYS 58 21.212 -5.196 3.448 517 HG3 LYS 58 3HG LYS 58 21.993 -5.299 1.872 518 HD2 LYS 58 2HD LYS 58 23.690 -3.636 2.588 519 HD3 LYS 58 3HD LYS 58 22.857 -3.451 4.149 520 HE2 LYS 58 2HE LYS 58 23.245 -5.859 4.629 521 HE3 LYS 58 3HE LYS 58 24.061 -6.043 3.071 522 HZ1 LYS 58 3HZ LYS 58 25.747 -4.457 3.841 523 HZ2 LYS 58 1HZ LYS 58 25.657 -5.717 4.872 524 HZ3 LYS 58 2HZ LYS 58 24.993 -4.286 5.282 525 H ARG 59 H ARG 59 20.030 -3.255 -0.902 526 HA ARG 59 HA ARG 59 21.875 -5.123 -2.163 527 HB2 ARG 59 2HB ARG 59 19.460 -5.493 -2.199 528 HB3 ARG 59 3HB ARG 59 19.193 -3.958 -3.023 529 HG2 ARG 59 2HG ARG 59 18.973 -5.844 -4.564 530 HG3 ARG 59 3HG ARG 59 20.288 -4.779 -5.043 531 HD2 ARG 59 2HD ARG 59 21.897 -6.426 -3.896 532 HD3 ARG 59 3HD ARG 59 20.511 -7.483 -3.653 533 HE ARG 59 HE ARG 59 20.532 -8.036 -5.914 534 HH11 ARG 59 1HH1 ARG 59 22.711 -5.282 -5.521 535 HH12 ARG 59 2HH1 ARG 59 23.390 -5.515 -7.110 536 HH21 ARG 59 1HH2 ARG 59 21.442 -8.221 -7.923 537 HH22 ARG 59 2HH2 ARG 59 22.681 -7.112 -8.429 538 H GLU 60 H GLU 60 21.016 -1.751 -2.802 539 HA GLU 60 HA GLU 60 22.518 -1.536 -5.277 540 HB2 GLU 60 2HB GLU 60 21.419 0.501 -3.306 541 HB3 GLU 60 3HB GLU 60 22.281 0.965 -4.767 542 HG2 GLU 60 2HG GLU 60 19.744 -0.725 -4.772 543 HG3 GLU 60 3HG GLU 60 19.793 1.023 -4.971 544 H GLU 61 H GLU 61 24.367 -0.103 -5.608 545 HA GLU 61 HA GLU 61 26.245 0.228 -3.357 546 HB2 GLU 61 2HB GLU 61 26.745 -2.000 -4.332 547 HB3 GLU 61 3HB GLU 61 26.935 -1.266 -5.923 548 HG2 GLU 61 2HG GLU 61 29.097 -1.758 -4.905 549 HG3 GLU 61 3HG GLU 61 28.912 -0.034 -5.166 550 H PHE 62 H PHE 62 27.766 1.872 -3.666 551 HA PHE 62 HA PHE 62 26.783 4.005 -5.421 552 HB2 PHE 62 2HB PHE 62 29.018 3.981 -3.364 553 HB3 PHE 62 3HB PHE 62 28.334 5.407 -4.133 554 HD1 PHE 62 1HD PHE 62 25.867 5.973 -3.763 555 HD2 PHE 62 2HD PHE 62 27.979 3.044 -1.403 556 HE1 PHE 62 1HE PHE 62 24.116 6.124 -2.004 557 HE2 PHE 62 2HE PHE 62 26.227 3.198 0.352 558 HZ PHE 62 HZ PHE 62 24.294 4.737 0.054 559 H ILE 63 H ILE 63 29.331 1.725 -5.626 560 HA ILE 63 HA ILE 63 31.142 1.431 -6.938 561 HB ILE 63 HB ILE 63 30.654 1.394 -9.308 562 HG12 ILE 63 2HG1 ILE 63 27.970 2.707 -8.689 563 HG13 ILE 63 3HG1 ILE 63 29.331 3.557 -9.426 564 HG21 ILE 63 1HG2 ILE 63 28.887 -0.243 -9.169 565 HG22 ILE 63 2HG2 ILE 63 29.859 -0.355 -7.703 566 HG23 ILE 63 3HG2 ILE 63 28.276 0.454 -7.657 567 HD11 ILE 63 3HD1 ILE 63 29.294 1.927 -11.324 568 HD12 ILE 63 1HD1 ILE 63 27.832 1.192 -10.620 569 HD13 ILE 63 2HD1 ILE 63 27.803 2.875 -11.161 570 H VAL 64 H VAL 64 31.512 3.859 -5.649 571 HA VAL 64 HA VAL 64 32.555 5.878 -7.437 572 HB VAL 64 HB VAL 64 33.144 5.418 -4.484 573 HG11 VAL 64 1HG1 VAL 64 33.474 7.908 -6.217 574 HG12 VAL 64 2HG1 VAL 64 33.644 7.856 -4.448 575 HG13 VAL 64 3HG1 VAL 64 34.782 6.970 -5.459 576 HG21 VAL 64 3HG2 VAL 64 31.035 7.156 -5.841 577 HG22 VAL 64 1HG2 VAL 64 30.729 5.724 -4.838 578 HG23 VAL 64 2HG2 VAL 64 31.416 7.171 -4.104 579 H THR 65 H THR 65 34.034 3.108 -5.775 580 HA THR 65 HA THR 65 36.733 3.719 -6.813 581 HB THR 65 HB THR 65 37.346 1.612 -5.560 582 HG1 THR 65 1HG THR 65 35.320 0.643 -5.410 583 HG21 THR 65 1HG2 THR 65 35.994 3.809 -3.930 584 HG22 THR 65 2HG2 THR 65 37.650 3.861 -4.575 585 HG23 THR 65 3HG2 THR 65 37.217 2.657 -3.349 586 H ASP 66 H ASP 66 37.928 2.359 -8.135 587 HA ASP 66 HA ASP 66 36.630 0.122 -9.576 588 HB2 ASP 66 2HB ASP 66 36.085 2.125 -10.897 589 HB3 ASP 66 3HB ASP 66 37.783 2.584 -10.944 Start of MODEL 7 1 H1 GLY -1 1H GLY -1 9.812 -33.211 16.794 2 H2 GLY -1 2H GLY -1 9.812 -33.199 18.432 3 H3 GLY -1 3H GLY -1 11.054 -33.891 17.619 4 HA2 GLY -1 2HA GLY -1 11.730 -31.753 18.493 5 HA3 GLY -1 3HA GLY -1 11.752 -31.781 16.721 6 H SER 0 H SER 0 11.365 -29.551 18.734 7 HA SER 0 HA SER 0 8.654 -28.659 18.670 8 HB2 SER 0 2HB SER 0 11.194 -27.037 19.077 9 HB3 SER 0 3HB SER 0 9.547 -26.543 19.514 10 HG SER 0 HG SER 0 10.691 -27.428 21.305 11 H GLN 1 H GLN 1 7.620 -27.013 17.531 12 HA GLN 1 HA GLN 1 8.365 -26.647 14.751 13 HB2 GLN 1 2HB GLN 1 6.189 -25.347 16.437 14 HB3 GLN 1 3HB GLN 1 6.396 -25.125 14.693 15 HG2 GLN 1 2HG GLN 1 6.122 -27.590 14.360 16 HG3 GLN 1 3HG GLN 1 5.817 -27.775 16.087 17 HE21 GLN 1 1HE2 GLN 1 3.797 -28.793 14.879 18 HE22 GLN 1 2HE2 GLN 1 2.451 -27.677 14.690 19 H ARG 2 H ARG 2 8.858 -24.732 13.682 20 HA ARG 2 HA ARG 2 9.975 -22.464 15.249 21 HB2 ARG 2 2HB ARG 2 12.045 -22.456 14.076 22 HB3 ARG 2 3HB ARG 2 11.829 -23.979 14.896 23 HG2 ARG 2 2HG ARG 2 11.440 -23.538 11.899 24 HG3 ARG 2 3HG ARG 2 12.909 -24.122 12.655 25 HD2 ARG 2 2HD ARG 2 10.243 -25.567 12.508 26 HD3 ARG 2 3HD ARG 2 11.723 -25.983 11.676 27 HE ARG 2 HE ARG 2 11.021 -26.604 14.453 28 HH11 ARG 2 1HH1 ARG 2 13.795 -26.354 12.310 29 HH12 ARG 2 2HH1 ARG 2 14.761 -27.372 13.343 30 HH21 ARG 2 2HH2 ARG 2 12.239 -27.833 15.657 31 HH22 ARG 2 1HH2 ARG 2 13.902 -28.198 15.223 32 H ARG 3 H ARG 3 7.556 -22.698 13.756 33 HA ARG 3 HA ARG 3 7.753 -21.055 11.326 34 HB2 ARG 3 2HB ARG 3 5.371 -21.977 13.000 35 HB3 ARG 3 3HB ARG 3 5.249 -21.104 11.468 36 HG2 ARG 3 2HG ARG 3 6.405 -22.940 10.289 37 HG3 ARG 3 3HG ARG 3 6.548 -23.845 11.809 38 HD2 ARG 3 2HD ARG 3 4.092 -23.905 12.026 39 HD3 ARG 3 3HD ARG 3 3.930 -22.993 10.509 40 HE ARG 3 HE ARG 3 5.506 -25.266 9.940 41 HH11 ARG 3 1HH1 ARG 3 2.190 -24.671 10.898 42 HH12 ARG 3 2HH1 ARG 3 1.608 -26.117 10.117 43 HH21 ARG 3 1HH2 ARG 3 4.699 -27.097 8.971 44 HH22 ARG 3 2HH2 ARG 3 2.999 -27.450 9.057 45 H GLN 4 H GLN 4 6.536 -19.041 11.101 46 HA GLN 4 HA GLN 4 6.420 -17.334 13.530 47 HB2 GLN 4 2HB GLN 4 8.607 -16.988 12.411 48 HB3 GLN 4 3HB GLN 4 7.780 -16.588 10.908 49 HG2 GLN 4 2HG GLN 4 8.563 -14.575 12.062 50 HG3 GLN 4 3HG GLN 4 6.813 -14.568 11.938 51 HE21 GLN 4 1HE2 GLN 4 9.560 -14.830 14.195 52 HE22 GLN 4 2HE2 GLN 4 8.574 -14.684 15.643 53 H ARG 5 H ARG 5 4.915 -15.668 13.479 54 HA ARG 5 HA ARG 5 2.571 -16.174 11.794 55 HB2 ARG 5 2HB ARG 5 2.412 -15.779 14.238 56 HB3 ARG 5 3HB ARG 5 3.086 -14.170 14.031 57 HG2 ARG 5 2HG ARG 5 0.680 -14.047 14.348 58 HG3 ARG 5 3HG ARG 5 1.114 -13.450 12.756 59 HD2 ARG 5 2HD ARG 5 -0.919 -14.772 12.642 60 HD3 ARG 5 3HD ARG 5 0.362 -15.576 11.733 61 HE ARG 5 HE ARG 5 0.274 -16.561 14.443 62 HH11 ARG 5 2HH2 ARG 5 -1.546 -16.852 11.461 63 HH12 ARG 5 1HH2 ARG 5 -2.140 -18.436 11.875 64 HH21 ARG 5 1HH1 ARG 5 -0.518 -18.585 14.903 65 HH22 ARG 5 2HH1 ARG 5 -1.578 -19.381 13.777 66 H THR 6 H THR 6 1.786 -14.982 10.184 67 HA THR 6 HA THR 6 2.885 -12.276 9.560 68 HB THR 6 HB THR 6 2.318 -14.464 7.518 69 HG1 THR 6 1HG THR 6 4.274 -14.798 8.517 70 HG21 THR 6 1HG2 THR 6 3.291 -11.591 7.183 71 HG22 THR 6 2HG2 THR 6 1.804 -12.317 6.515 72 HG23 THR 6 3HG2 THR 6 3.379 -12.838 5.920 73 H HIS 7 H HIS 7 1.337 -10.779 9.190 74 HA HIS 7 HA HIS 7 -1.515 -11.643 9.056 75 HB2 HIS 7 2HB HIS 7 -2.056 -9.658 10.268 76 HB3 HIS 7 3HB HIS 7 -0.807 -10.539 11.132 77 HD2 HIS 7 2HD HIS 7 -1.539 -7.279 11.232 78 HE1 HIS 7 1HE HIS 7 2.531 -6.911 10.021 79 HE2 HIS 7 2HE HIS 7 0.556 -5.690 11.062 80 H PHE 8 H PHE 8 0.531 -10.922 6.821 81 HA PHE 8 HA PHE 8 -1.239 -9.112 5.225 82 HB2 PHE 8 2HB PHE 8 1.594 -10.081 4.684 83 HB3 PHE 8 3HB PHE 8 0.636 -9.064 3.628 84 HD1 PHE 8 1HD PHE 8 2.421 -9.136 6.900 85 HD2 PHE 8 2HD PHE 8 0.576 -6.697 3.857 86 HE1 PHE 8 1HE PHE 8 3.490 -7.119 7.866 87 HE2 PHE 8 2HE PHE 8 1.668 -4.682 4.825 88 HZ PHE 8 HZ PHE 8 3.116 -4.887 6.833 89 H THR 9 H THR 9 -1.590 -9.784 2.969 90 HA THR 9 HA THR 9 -1.317 -12.708 2.416 91 HB THR 9 HB THR 9 -3.673 -12.269 2.870 92 HG1 THR 9 1HG THR 9 -4.378 -13.262 1.011 93 HG21 THR 9 1HG2 THR 9 -5.053 -11.010 1.262 94 HG22 THR 9 2HG2 THR 9 -3.594 -10.428 0.435 95 HG23 THR 9 3HG2 THR 9 -3.934 -9.947 2.116 96 H SER 10 H SER 10 -0.944 -13.287 0.225 97 HA SER 10 HA SER 10 1.210 -11.907 -0.825 98 HB2 SER 10 2HB SER 10 -0.610 -13.811 -2.343 99 HB3 SER 10 3HB SER 10 1.084 -13.432 -2.719 100 HG SER 10 HG SER 10 0.875 -15.384 -1.514 101 H GLN 11 H GLN 11 -2.176 -11.421 -1.777 102 HA GLN 11 HA GLN 11 -1.664 -9.923 -4.186 103 HB2 GLN 11 2HB GLN 11 -4.018 -9.882 -2.248 104 HB3 GLN 11 3HB GLN 11 -3.985 -9.063 -3.816 105 HG2 GLN 11 2HG GLN 11 -3.629 -11.246 -4.957 106 HG3 GLN 11 3HG GLN 11 -3.710 -12.076 -3.400 107 HE21 GLN 11 1HE2 GLN 11 -5.644 -10.077 -5.698 108 HE22 GLN 11 2HE2 GLN 11 -7.188 -10.667 -5.100 109 H GLN 12 H GLN 12 -1.650 -8.977 -0.760 110 HA GLN 12 HA GLN 12 -1.634 -6.098 -1.253 111 HB2 GLN 12 2HB GLN 12 -0.794 -7.705 1.193 112 HB3 GLN 12 3HB GLN 12 -1.012 -5.960 1.137 113 HG2 GLN 12 2HG GLN 12 -3.388 -6.172 0.724 114 HG3 GLN 12 3HG GLN 12 -3.279 -7.912 0.525 115 HE21 GLN 12 1HE2 GLN 12 -4.749 -6.099 2.552 116 HE22 GLN 12 2HE2 GLN 12 -4.357 -6.918 4.063 117 H LEU 13 H LEU 13 0.855 -8.603 -0.574 118 HA LEU 13 HA LEU 13 3.113 -6.818 -0.742 119 HB2 LEU 13 2HB LEU 13 2.834 -9.834 -1.160 120 HB3 LEU 13 3HB LEU 13 4.359 -8.991 -1.309 121 HG LEU 13 HG LEU 13 4.329 -10.034 0.791 122 HD11 LEU 13 1HD1 LEU 13 3.802 -7.093 1.348 123 HD12 LEU 13 2HD1 LEU 13 5.327 -7.754 0.692 124 HD13 LEU 13 3HD1 LEU 13 4.771 -8.224 2.311 125 HD21 LEU 13 3HD2 LEU 13 1.890 -10.252 1.114 126 HD22 LEU 13 1HD2 LEU 13 1.814 -8.530 1.570 127 HD23 LEU 13 2HD2 LEU 13 2.753 -9.676 2.546 128 H GLN 14 H GLN 14 1.454 -8.781 -3.247 129 HA GLN 14 HA GLN 14 3.199 -8.108 -5.393 130 HB2 GLN 14 2HB GLN 14 1.542 -9.944 -5.400 131 HB3 GLN 14 3HB GLN 14 0.222 -8.766 -5.439 132 HG2 GLN 14 2HG GLN 14 1.012 -7.940 -7.639 133 HG3 GLN 14 3HG GLN 14 2.377 -9.062 -7.580 134 HE21 GLN 14 1HE2 GLN 14 1.873 -11.435 -7.683 135 HE22 GLN 14 2HE2 GLN 14 0.360 -11.925 -8.433 136 H GLU 15 H GLU 15 0.198 -6.442 -4.254 137 HA GLU 15 HA GLU 15 0.318 -4.363 -6.229 138 HB2 GLU 15 2HB GLU 15 -1.680 -5.080 -4.820 139 HB3 GLU 15 3HB GLU 15 -0.935 -4.229 -3.467 140 HG2 GLU 15 2HG GLU 15 -2.557 -2.761 -4.412 141 HG3 GLU 15 3HG GLU 15 -0.994 -2.110 -4.877 142 H LEU 16 H LEU 16 1.645 -4.520 -2.875 143 HA LEU 16 HA LEU 16 2.715 -1.842 -2.919 144 HB2 LEU 16 2HB LEU 16 3.147 -4.306 -1.227 145 HB3 LEU 16 3HB LEU 16 4.206 -2.920 -1.037 146 HG LEU 16 HG LEU 16 1.215 -2.498 -0.958 147 HD11 LEU 16 1HD1 LEU 16 1.699 -4.253 0.718 148 HD12 LEU 16 2HD1 LEU 16 1.334 -2.713 1.510 149 HD13 LEU 16 3HD1 LEU 16 3.016 -3.267 1.386 150 HD21 LEU 16 3HD2 LEU 16 2.679 -0.507 -1.102 151 HD22 LEU 16 1HD2 LEU 16 3.558 -1.047 0.342 152 HD23 LEU 16 2HD2 LEU 16 1.847 -0.596 0.460 153 H GLU 17 H GLU 17 4.158 -4.980 -3.916 154 HA GLU 17 HA GLU 17 6.727 -3.821 -4.547 155 HB2 GLU 17 2HB GLU 17 6.476 -6.183 -4.148 156 HB3 GLU 17 3HB GLU 17 5.389 -6.368 -5.536 157 HG2 GLU 17 2HG GLU 17 7.123 -6.004 -7.102 158 HG3 GLU 17 3HG GLU 17 8.155 -5.197 -5.921 159 H ALA 18 H ALA 18 3.768 -4.349 -6.571 160 HA ALA 18 HA ALA 18 4.881 -3.214 -8.958 161 HB1 ALA 18 1HB ALA 18 1.998 -3.293 -7.960 162 HB2 ALA 18 2HB ALA 18 2.519 -2.967 -9.626 163 HB3 ALA 18 3HB ALA 18 2.817 -4.559 -8.903 164 H THR 19 H THR 19 3.225 -1.714 -6.172 165 HA THR 19 HA THR 19 3.225 1.002 -7.057 166 HB THR 19 HB THR 19 3.419 -0.136 -4.243 167 HG1 THR 19 1HG THR 19 1.568 -0.787 -5.267 168 HG21 THR 19 1HG2 THR 19 2.370 2.598 -5.041 169 HG22 THR 19 2HG2 THR 19 3.979 2.328 -4.341 170 HG23 THR 19 3HG2 THR 19 2.539 1.891 -3.410 171 H PHE 20 H PHE 20 5.675 -0.760 -5.070 172 HA PHE 20 HA PHE 20 7.595 1.321 -4.895 173 HB2 PHE 20 2HB PHE 20 7.567 -0.633 -3.466 174 HB3 PHE 20 3HB PHE 20 7.790 -1.709 -4.829 175 HD1 PHE 20 1HD PHE 20 9.975 -2.002 -5.904 176 HD2 PHE 20 2HD PHE 20 9.476 0.598 -2.502 177 HE1 PHE 20 1HE PHE 20 12.427 -2.077 -5.484 178 HE2 PHE 20 2HE PHE 20 11.915 0.510 -2.073 179 HZ PHE 20 HZ PHE 20 13.394 -0.865 -3.548 180 H GLN 21 H GLN 21 7.259 -1.260 -7.386 181 HA GLN 21 HA GLN 21 9.569 -0.488 -8.914 182 HB2 GLN 21 2HB GLN 21 7.054 -2.065 -9.553 183 HB3 GLN 21 3HB GLN 21 8.331 -1.797 -10.747 184 HG2 GLN 21 2HG GLN 21 9.988 -2.901 -9.365 185 HG3 GLN 21 3HG GLN 21 8.854 -3.087 -8.035 186 HE21 GLN 21 1HE2 GLN 21 10.038 -5.378 -8.760 187 HE22 GLN 21 2HE2 GLN 21 8.943 -6.371 -9.710 188 H ARG 22 H ARG 22 6.183 0.640 -9.042 189 HA ARG 22 HA ARG 22 6.582 2.343 -11.377 190 HB2 ARG 22 2HB ARG 22 4.394 1.392 -10.683 191 HB3 ARG 22 3HB ARG 22 4.417 2.398 -9.228 192 HG2 ARG 22 2HG ARG 22 4.383 4.442 -10.624 193 HG3 ARG 22 3HG ARG 22 4.453 3.448 -12.096 194 HD2 ARG 22 2HD ARG 22 2.292 2.403 -11.487 195 HD3 ARG 22 3HD ARG 22 2.226 3.396 -10.014 196 HE ARG 22 HE ARG 22 2.553 5.145 -12.224 197 HH11 ARG 22 1HH2 ARG 22 0.051 3.014 -11.010 198 HH12 ARG 22 2HH2 ARG 22 -1.228 3.956 -11.729 199 HH21 ARG 22 1HH1 ARG 22 0.876 6.299 -13.114 200 HH22 ARG 22 2HH1 ARG 22 -0.764 5.767 -12.888 201 H ASN 23 H ASN 23 6.609 2.934 -7.861 202 HA ASN 23 HA ASN 23 8.330 5.305 -8.234 203 HB2 ASN 23 2HB ASN 23 5.995 6.161 -8.379 204 HB3 ASN 23 3HB ASN 23 5.618 5.407 -6.829 205 HD21 ASN 23 1HD2 ASN 23 4.994 7.878 -6.680 206 HD22 ASN 23 2HD2 ASN 23 6.249 8.874 -5.956 207 H ARG 24 H ARG 24 9.995 4.953 -6.883 208 HA ARG 24 HA ARG 24 9.754 3.304 -4.457 209 HB2 ARG 24 2HB ARG 24 12.102 4.794 -5.691 210 HB3 ARG 24 3HB ARG 24 12.189 3.825 -4.219 211 HG2 ARG 24 2HG ARG 24 11.342 1.835 -5.559 212 HG3 ARG 24 3HG ARG 24 11.493 2.832 -7.016 213 HD2 ARG 24 2HD ARG 24 13.482 1.487 -6.820 214 HD3 ARG 24 3HD ARG 24 13.915 3.174 -6.483 215 HE ARG 24 HE ARG 24 13.216 1.544 -4.135 216 HH11 ARG 24 1HH2 ARG 24 15.946 2.510 -6.113 217 HH12 ARG 24 2HH2 ARG 24 17.083 2.234 -4.819 218 HH21 ARG 24 1HH1 ARG 24 14.722 1.245 -2.539 219 HH22 ARG 24 2HH1 ARG 24 16.405 1.529 -2.865 220 H TYR 25 H TYR 25 9.194 6.575 -5.036 221 HA TYR 25 HA TYR 25 9.584 7.294 -2.164 222 HB2 TYR 25 2HB TYR 25 10.284 8.997 -4.582 223 HB3 TYR 25 3HB TYR 25 10.422 9.480 -2.898 224 HD1 TYR 25 1HD TYR 25 12.198 8.584 -1.444 225 HD2 TYR 25 2HD TYR 25 11.914 7.462 -5.601 226 HE1 TYR 25 1HE TYR 25 14.523 7.696 -1.367 227 HE2 TYR 25 2HE TYR 25 14.238 6.571 -5.521 228 HH TYR 25 HH TYR 25 16.105 6.243 -4.241 229 HA PRO 26 HA PRO 26 5.303 8.561 -3.729 230 HB2 PRO 26 2HB PRO 26 3.701 6.955 -2.211 231 HB3 PRO 26 3HB PRO 26 4.382 6.442 -3.786 232 HG2 PRO 26 2HG PRO 26 5.433 5.822 -1.010 233 HG3 PRO 26 3HG PRO 26 5.183 4.702 -2.382 234 HD2 PRO 26 2HD PRO 26 7.622 5.804 -1.802 235 HD3 PRO 26 3HD PRO 26 7.099 5.458 -3.476 236 H ASP 27 H ASP 27 4.112 10.115 -2.644 237 HA ASP 27 HA ASP 27 5.017 11.036 -0.026 238 HB2 ASP 27 2HB ASP 27 4.332 12.492 -1.994 239 HB3 ASP 27 3HB ASP 27 2.663 12.010 -1.680 240 H MET 28 H MET 28 3.358 11.502 1.723 241 HA MET 28 HA MET 28 2.362 8.964 2.589 242 HB2 MET 28 2HB MET 28 1.787 11.695 3.793 243 HB3 MET 28 3HB MET 28 1.621 10.127 4.597 244 HG2 MET 28 2HG MET 28 4.196 11.401 3.603 245 HG3 MET 28 3HG MET 28 3.700 11.229 5.276 246 HE1 MET 28 3HE MET 28 6.524 10.488 4.596 247 HE2 MET 28 1HE MET 28 6.876 8.852 3.997 248 HE3 MET 28 2HE MET 28 6.179 10.065 2.900 249 H SER 29 H SER 29 0.691 11.592 0.943 250 HA SER 29 HA SER 29 -2.010 10.596 1.340 251 HB2 SER 29 2HB SER 29 -2.490 12.082 -0.630 252 HB3 SER 29 3HB SER 29 -1.715 12.890 0.745 253 HG SER 29 HG SER 29 -0.731 13.457 -1.255 254 H THR 30 H THR 30 0.438 10.193 -1.273 255 HA THR 30 HA THR 30 -1.056 8.396 -2.912 256 HB THR 30 HB THR 30 1.961 8.485 -2.512 257 HG1 THR 30 1HG THR 30 1.832 9.900 -4.341 258 HG21 THR 30 1HG2 THR 30 2.061 7.732 -4.864 259 HG22 THR 30 2HG2 THR 30 0.286 7.586 -4.893 260 HG23 THR 30 3HG2 THR 30 1.260 6.534 -3.842 261 H ARG 31 H ARG 31 1.174 7.773 -0.176 262 HA ARG 31 HA ARG 31 0.930 4.908 -0.145 263 HB2 ARG 31 2HB ARG 31 1.524 6.891 2.092 264 HB3 ARG 31 3HB ARG 31 1.634 5.145 2.275 265 HG2 ARG 31 2HG ARG 31 3.359 5.040 0.486 266 HG3 ARG 31 3HG ARG 31 3.238 6.788 0.277 267 HD2 ARG 31 2HD ARG 31 3.772 6.855 2.867 268 HD3 ARG 31 3HD ARG 31 4.398 5.223 2.578 269 HE ARG 31 HE ARG 31 5.292 7.458 0.806 270 HH11 ARG 31 1HH2 ARG 31 6.292 5.402 3.455 271 HH12 ARG 31 2HH2 ARG 31 7.970 5.826 3.238 272 HH21 ARG 31 2HH1 ARG 31 7.309 7.936 0.585 273 HH22 ARG 31 1HH1 ARG 31 8.554 7.246 1.612 274 H GLU 32 H GLU 32 -1.103 7.412 1.429 275 HA GLU 32 HA GLU 32 -2.782 5.501 2.763 276 HB2 GLU 32 2HB GLU 32 -2.553 7.902 3.400 277 HB3 GLU 32 3HB GLU 32 -3.407 8.367 1.923 278 HG2 GLU 32 2HG GLU 32 -5.422 7.150 2.702 279 HG3 GLU 32 3HG GLU 32 -4.552 6.614 4.141 280 H GLU 33 H GLU 33 -3.076 6.996 -0.509 281 HA GLU 33 HA GLU 33 -5.624 5.782 -1.091 282 HB2 GLU 33 2HB GLU 33 -3.381 6.666 -2.941 283 HB3 GLU 33 3HB GLU 33 -4.938 6.023 -3.486 284 HG2 GLU 33 2HG GLU 33 -6.125 7.817 -2.244 285 HG3 GLU 33 3HG GLU 33 -4.579 8.523 -1.784 286 H ILE 34 H ILE 34 -2.266 4.578 -1.822 287 HA ILE 34 HA ILE 34 -3.330 2.081 -2.802 288 HB ILE 34 HB ILE 34 -1.119 1.236 -2.913 289 HG12 ILE 34 2HG1 ILE 34 0.824 2.860 -2.329 290 HG13 ILE 34 3HG1 ILE 34 -0.306 3.585 -1.205 291 HG21 ILE 34 1HG2 ILE 34 -1.911 2.878 -4.619 292 HG22 ILE 34 2HG2 ILE 34 -1.061 4.163 -3.729 293 HG23 ILE 34 3HG2 ILE 34 -0.151 2.822 -4.443 294 HD11 ILE 34 3HD1 ILE 34 1.321 1.769 -0.363 295 HD12 ILE 34 1HD1 ILE 34 -0.370 1.605 0.130 296 HD13 ILE 34 2HD1 ILE 34 0.284 0.600 -1.187 297 H ALA 35 H ALA 35 -2.671 3.163 0.463 298 HA ALA 35 HA ALA 35 -2.765 0.603 1.727 299 HB1 ALA 35 1HB ALA 35 -2.042 2.733 2.862 300 HB2 ALA 35 2HB ALA 35 -3.739 3.246 2.891 301 HB3 ALA 35 3HB ALA 35 -3.228 1.798 3.763 302 H VAL 36 H VAL 36 -5.493 2.968 1.134 303 HA VAL 36 HA VAL 36 -7.458 1.093 2.070 304 HB VAL 36 HB VAL 36 -9.169 2.493 1.078 305 HG11 VAL 36 1HG1 VAL 36 -7.034 4.130 2.497 306 HG12 VAL 36 2HG1 VAL 36 -8.769 4.487 2.408 307 HG13 VAL 36 3HG1 VAL 36 -8.209 3.050 3.287 308 HG21 VAL 36 3HG2 VAL 36 -8.691 4.595 -0.029 309 HG22 VAL 36 1HG2 VAL 36 -6.949 4.285 0.039 310 HG23 VAL 36 2HG2 VAL 36 -7.999 3.277 -0.979 311 H TRP 37 H TRP 37 -6.037 1.500 -1.155 312 HA TRP 37 HA TRP 37 -7.816 -0.348 -2.480 313 HB2 TRP 37 2HB TRP 37 -4.976 0.439 -3.151 314 HB3 TRP 37 3HB TRP 37 -6.101 -0.359 -4.241 315 HD1 TRP 37 1HD TRP 37 -8.293 1.994 -2.855 316 HE1 TRP 37 1HE TRP 37 -8.306 4.308 -3.943 317 HE3 TRP 37 3HE TRP 37 -3.977 1.593 -5.553 318 HZ2 TRP 37 2HZ TRP 37 -6.686 5.767 -5.853 319 HZ3 TRP 37 3HZ TRP 37 -3.224 3.470 -7.000 320 HH2 TRP 37 2HH TRP 37 -4.564 5.555 -7.155 321 H THR 38 H THR 38 -5.177 -0.930 -0.288 322 HA THR 38 HA THR 38 -5.235 -3.863 -0.901 323 HB THR 38 HB THR 38 -3.121 -3.976 0.420 324 HG1 THR 38 1HG THR 38 -2.995 -1.193 0.019 325 HG21 THR 38 1HG2 THR 38 -3.055 -3.942 -2.033 326 HG22 THR 38 2HG2 THR 38 -1.659 -3.110 -1.322 327 HG23 THR 38 3HG2 THR 38 -2.995 -2.166 -2.018 328 H ASN 39 H ASN 39 -6.779 -1.803 1.050 329 HA ASN 39 HA ASN 39 -7.769 -1.747 3.005 330 HB2 ASN 39 2HB ASN 39 -8.775 -3.853 2.055 331 HB3 ASN 39 3HB ASN 39 -7.653 -4.785 3.046 332 HD21 ASN 39 1HD2 ASN 39 -10.105 -2.136 3.375 333 HD22 ASN 39 2HD2 ASN 39 -10.731 -2.753 4.896 334 H LEU 40 H LEU 40 -4.968 -1.473 3.003 335 HA LEU 40 HA LEU 40 -4.127 -2.153 5.789 336 HB2 LEU 40 2HB LEU 40 -2.758 -1.233 3.252 337 HB3 LEU 40 3HB LEU 40 -2.063 -0.753 4.781 338 HG LEU 40 HG LEU 40 -1.771 -3.051 5.492 339 HD11 LEU 40 1HD1 LEU 40 -2.032 -4.924 3.924 340 HD12 LEU 40 2HD1 LEU 40 -2.825 -3.840 2.757 341 HD13 LEU 40 3HD1 LEU 40 -3.594 -4.199 4.319 342 HD21 LEU 40 3HD2 LEU 40 0.032 -1.955 4.276 343 HD22 LEU 40 1HD2 LEU 40 -0.704 -2.410 2.719 344 HD23 LEU 40 2HD2 LEU 40 -0.043 -3.658 3.788 345 H THR 41 H THR 41 -2.927 -0.225 6.800 346 HA THR 41 HA THR 41 -4.382 2.362 6.454 347 HB THR 41 HB THR 41 -4.861 1.431 8.645 348 HG1 THR 41 1HG THR 41 -4.284 3.277 9.743 349 HG21 THR 41 1HG2 THR 41 -3.138 1.259 10.369 350 HG22 THR 41 2HG2 THR 41 -1.871 1.666 9.195 351 HG23 THR 41 3HG2 THR 41 -2.772 0.137 9.051 352 H GLU 42 H GLU 42 -3.029 4.298 6.607 353 HA GLU 42 HA GLU 42 -0.759 3.967 4.919 354 HB2 GLU 42 2HB GLU 42 -0.470 6.315 4.985 355 HB3 GLU 42 3HB GLU 42 -2.178 5.935 4.921 356 HG2 GLU 42 2HG GLU 42 -2.057 7.741 6.376 357 HG3 GLU 42 3HG GLU 42 -2.302 6.348 7.423 358 H ALA 43 H ALA 43 -0.891 4.165 8.452 359 HA ALA 43 HA ALA 43 1.920 4.568 8.838 360 HB1 ALA 43 1HB ALA 43 1.439 3.822 11.147 361 HB2 ALA 43 2HB ALA 43 0.229 4.987 10.581 362 HB3 ALA 43 3HB ALA 43 -0.166 3.253 10.642 363 H ARG 44 H ARG 44 -0.032 1.610 8.423 364 HA ARG 44 HA ARG 44 2.151 -0.270 8.880 365 HB2 ARG 44 2HB ARG 44 -0.213 -0.854 9.210 366 HB3 ARG 44 3HB ARG 44 -0.547 -0.598 7.492 367 HG2 ARG 44 2HG ARG 44 0.863 -2.474 6.866 368 HG3 ARG 44 3HG ARG 44 1.442 -2.664 8.536 369 HD2 ARG 44 2HD ARG 44 -0.766 -3.306 9.304 370 HD3 ARG 44 3HD ARG 44 -1.485 -2.914 7.731 371 HE ARG 44 HE ARG 44 0.580 -4.861 7.364 372 HH11 ARG 44 1HH1 ARG 44 -2.684 -4.740 8.668 373 HH12 ARG 44 2HH1 ARG 44 -2.973 -6.414 8.274 374 HH21 ARG 44 1HH2 ARG 44 0.138 -6.959 6.950 375 HH22 ARG 44 2HH2 ARG 44 -1.416 -7.638 7.371 376 H VAL 45 H VAL 45 0.777 1.304 6.007 377 HA VAL 45 HA VAL 45 2.579 0.094 4.089 378 HB VAL 45 HB VAL 45 0.968 2.666 4.067 379 HG11 VAL 45 1HG1 VAL 45 1.386 2.789 1.656 380 HG12 VAL 45 2HG1 VAL 45 2.869 3.040 2.562 381 HG13 VAL 45 3HG1 VAL 45 2.573 1.465 1.782 382 HG21 VAL 45 3HG2 VAL 45 -0.357 1.364 2.393 383 HG22 VAL 45 1HG2 VAL 45 0.680 -0.038 2.681 384 HG23 VAL 45 2HG2 VAL 45 -0.346 0.603 3.986 385 H ARG 46 H ARG 46 2.858 3.135 6.023 386 HA ARG 46 HA ARG 46 5.382 3.937 5.001 387 HB2 ARG 46 2HB ARG 46 3.700 5.219 6.427 388 HB3 ARG 46 3HB ARG 46 4.336 4.357 7.832 389 HG2 ARG 46 2HG ARG 46 6.617 5.317 7.257 390 HG3 ARG 46 3HG ARG 46 5.832 6.275 5.990 391 HD2 ARG 46 2HD ARG 46 5.199 6.360 8.970 392 HD3 ARG 46 3HD ARG 46 6.174 7.538 8.085 393 HE ARG 46 HE ARG 46 3.324 7.089 7.276 394 HH11 ARG 46 1HH1 ARG 46 5.632 9.337 8.676 395 HH12 ARG 46 2HH1 ARG 46 4.485 10.647 8.633 396 HH21 ARG 46 1HH2 ARG 46 1.932 8.721 7.339 397 HH22 ARG 46 2HH2 ARG 46 2.434 10.315 7.878 398 H VAL 47 H VAL 47 4.647 1.801 7.761 399 HA VAL 47 HA VAL 47 7.376 1.112 8.377 400 HB VAL 47 HB VAL 47 4.735 -0.286 8.913 401 HG11 VAL 47 1HG1 VAL 47 6.435 -2.055 8.946 402 HG12 VAL 47 2HG1 VAL 47 7.497 -1.043 9.960 403 HG13 VAL 47 3HG1 VAL 47 5.954 -1.656 10.593 404 HG21 VAL 47 3HG2 VAL 47 5.185 1.884 10.101 405 HG22 VAL 47 1HG2 VAL 47 5.115 0.507 11.205 406 HG23 VAL 47 2HG2 VAL 47 6.687 1.197 10.740 407 H TRP 48 H TRP 48 5.051 -0.375 6.038 408 HA TRP 48 HA TRP 48 6.799 -2.493 5.254 409 HB2 TRP 48 2HB TRP 48 4.392 -2.395 4.679 410 HB3 TRP 48 3HB TRP 48 4.716 -1.084 3.550 411 HD1 TRP 48 1HD TRP 48 4.980 -4.822 3.947 412 HE1 TRP 48 1HE TRP 48 5.744 -5.927 1.766 413 HE3 TRP 48 3HE TRP 48 6.137 -0.611 1.241 414 HZ2 TRP 48 2HZ TRP 48 6.796 -5.111 -0.794 415 HZ3 TRP 48 3HZ TRP 48 7.041 -0.815 -1.054 416 HH2 TRP 48 2HH TRP 48 7.384 -3.048 -2.083 417 H PHE 49 H PHE 49 6.440 0.809 3.790 418 HA PHE 49 HA PHE 49 8.550 0.435 1.887 419 HB2 PHE 49 2HB PHE 49 7.173 2.849 3.055 420 HB3 PHE 49 3HB PHE 49 8.627 3.059 2.093 421 HD1 PHE 49 1HD PHE 49 8.754 2.190 -0.275 422 HD2 PHE 49 2HD PHE 49 5.062 2.423 1.928 423 HE1 PHE 49 1HE PHE 49 7.470 2.018 -2.398 424 HE2 PHE 49 2HE PHE 49 3.783 2.224 -0.192 425 HZ PHE 49 HZ PHE 49 4.984 2.001 -2.347 426 H LYS 50 H LYS 50 8.689 1.627 5.266 427 HA LYS 50 HA LYS 50 11.489 2.214 5.307 428 HB2 LYS 50 2HB LYS 50 9.839 2.884 7.044 429 HB3 LYS 50 3HB LYS 50 9.716 1.201 7.576 430 HG2 LYS 50 2HG LYS 50 12.120 1.206 8.181 431 HG3 LYS 50 3HG LYS 50 12.272 2.870 7.580 432 HD2 LYS 50 2HD LYS 50 10.639 3.633 9.290 433 HD3 LYS 50 3HD LYS 50 10.488 1.965 9.887 434 HE2 LYS 50 2HE LYS 50 12.916 1.937 10.417 435 HE3 LYS 50 3HE LYS 50 13.073 3.591 9.812 436 HZ1 LYS 50 3HZ LYS 50 11.404 2.782 12.137 437 HZ2 LYS 50 1HZ LYS 50 11.549 4.311 11.575 438 HZ3 LYS 50 2HZ LYS 50 12.838 3.553 12.227 439 H ASN 51 H ASN 51 9.804 -0.873 6.049 440 HA ASN 51 HA ASN 51 12.228 -2.381 6.508 441 HB2 ASN 51 2HB ASN 51 9.337 -3.107 5.919 442 HB3 ASN 51 3HB ASN 51 10.588 -4.342 5.887 443 HD21 ASN 51 1HD2 ASN 51 8.973 -1.991 8.006 444 HD22 ASN 51 2HD2 ASN 51 9.509 -2.778 9.494 445 H ARG 52 H ARG 52 10.234 -1.967 3.553 446 HA ARG 52 HA ARG 52 11.683 -3.635 1.804 447 HB2 ARG 52 2HB ARG 52 9.461 -2.585 1.359 448 HB3 ARG 52 3HB ARG 52 10.233 -1.008 1.246 449 HG2 ARG 52 2HG ARG 52 9.776 -1.752 -0.956 450 HG3 ARG 52 3HG ARG 52 11.529 -1.813 -0.744 451 HD2 ARG 52 2HD ARG 52 11.402 -4.261 -0.394 452 HD3 ARG 52 3HD ARG 52 9.633 -4.183 -0.519 453 HE ARG 52 HE ARG 52 11.089 -3.080 -2.823 454 HH11 ARG 52 1HH2 ARG 52 9.576 -6.041 -1.593 455 HH12 ARG 52 2HH2 ARG 52 9.465 -6.683 -3.237 456 HH21 ARG 52 1HH1 ARG 52 10.952 -4.149 -4.817 457 HH22 ARG 52 2HH1 ARG 52 10.168 -5.734 -4.847 458 H ARG 53 H ARG 53 12.248 -0.155 2.482 459 HA ARG 53 HA ARG 53 14.610 0.008 0.813 460 HB2 ARG 53 2HB ARG 53 13.108 1.919 1.499 461 HB3 ARG 53 3HB ARG 53 13.818 1.839 3.119 462 HG2 ARG 53 2HG ARG 53 16.075 2.283 2.131 463 HG3 ARG 53 3HG ARG 53 15.349 2.300 0.514 464 HD2 ARG 53 2HD ARG 53 13.874 4.223 1.301 465 HD3 ARG 53 3HD ARG 53 14.800 4.236 2.799 466 HE ARG 53 HE ARG 53 16.594 5.233 1.708 467 HH11 ARG 53 1HH2 ARG 53 14.319 4.211 -0.770 468 HH12 ARG 53 2HH2 ARG 53 15.164 5.119 -2.006 469 HH21 ARG 53 1HH1 ARG 53 17.577 6.364 0.028 470 HH22 ARG 53 2HH1 ARG 53 16.881 6.277 -1.574 471 H ALA 54 H ALA 54 14.229 -0.459 4.362 472 HA ALA 54 HA ALA 54 16.995 -0.431 4.968 473 HB1 ALA 54 1HB ALA 54 14.712 -1.897 6.363 474 HB2 ALA 54 2HB ALA 54 16.311 -1.553 7.060 475 HB3 ALA 54 3HB ALA 54 15.221 -0.216 6.651 476 H LYS 55 H LYS 55 14.904 -3.267 4.195 477 HA LYS 55 HA LYS 55 17.085 -5.181 4.351 478 HB2 LYS 55 2HB LYS 55 14.290 -5.397 3.162 479 HB3 LYS 55 3HB LYS 55 15.410 -6.749 3.373 480 HG2 LYS 55 2HG LYS 55 15.457 -6.361 5.821 481 HG3 LYS 55 3HG LYS 55 14.310 -5.025 5.641 482 HD2 LYS 55 2HD LYS 55 12.708 -6.673 4.544 483 HD3 LYS 55 3HD LYS 55 13.810 -7.969 5.027 484 HE2 LYS 55 2HE LYS 55 12.373 -6.007 6.880 485 HE3 LYS 55 3HE LYS 55 11.914 -7.686 6.591 486 HZ1 LYS 55 3HZ LYS 55 14.428 -6.792 7.885 487 HZ2 LYS 55 1HZ LYS 55 14.086 -8.359 7.550 488 HZ3 LYS 55 2HZ LYS 55 13.172 -7.526 8.620 489 H TRP 56 H TRP 56 15.963 -3.137 1.755 490 HA TRP 56 HA TRP 56 17.453 -4.497 -0.363 491 HB2 TRP 56 2HB TRP 56 15.641 -3.150 -1.055 492 HB3 TRP 56 3HB TRP 56 16.122 -1.806 -0.036 493 HD1 TRP 56 1HD TRP 56 17.338 -3.570 -3.245 494 HE1 TRP 56 1HE TRP 56 18.542 -1.852 -4.727 495 HE3 TRP 56 3HE TRP 56 17.184 0.470 -0.096 496 HZ2 TRP 56 2HZ TRP 56 19.346 0.916 -4.562 497 HZ3 TRP 56 3HZ TRP 56 18.166 2.644 -0.789 498 HH2 TRP 56 2HH TRP 56 19.255 2.879 -3.012 499 H ARG 57 H ARG 57 18.076 -1.583 1.659 500 HA ARG 57 HA ARG 57 20.694 -1.149 0.516 501 HB2 ARG 57 2HB ARG 57 19.103 0.585 1.411 502 HB3 ARG 57 3HB ARG 57 19.488 0.047 3.050 503 HG2 ARG 57 2HG ARG 57 21.842 0.700 2.736 504 HG3 ARG 57 3HG ARG 57 21.537 1.067 1.027 505 HD2 ARG 57 2HD ARG 57 19.921 2.849 1.726 506 HD3 ARG 57 3HD ARG 57 20.269 2.477 3.413 507 HE ARG 57 HE ARG 57 22.284 3.610 3.279 508 HH11 ARG 57 1HH1 ARG 57 21.144 3.232 -0.020 509 HH12 ARG 57 2HH1 ARG 57 22.345 4.328 -0.648 510 HH21 ARG 57 1HH2 ARG 57 23.788 4.979 2.401 511 HH22 ARG 57 2HH2 ARG 57 23.799 5.281 0.689 512 H LYS 58 H LYS 58 19.641 -2.759 3.474 513 HA LYS 58 HA LYS 58 22.431 -3.684 4.052 514 HB2 LYS 58 2HB LYS 58 20.412 -2.561 6.053 515 HB3 LYS 58 3HB LYS 58 21.938 -3.339 6.475 516 HG2 LYS 58 2HG LYS 58 23.173 -1.564 5.207 517 HG3 LYS 58 3HG LYS 58 21.628 -0.735 4.921 518 HD2 LYS 58 2HD LYS 58 21.275 -0.530 7.365 519 HD3 LYS 58 3HD LYS 58 22.823 -1.355 7.657 520 HE2 LYS 58 2HE LYS 58 24.006 0.443 6.402 521 HE3 LYS 58 3HE LYS 58 22.465 1.270 6.138 522 HZ1 LYS 58 3HZ LYS 58 23.650 2.194 8.047 523 HZ2 LYS 58 1HZ LYS 58 23.685 0.747 8.800 524 HZ3 LYS 58 2HZ LYS 58 22.259 1.511 8.560 525 H ARG 59 H ARG 59 22.444 -5.487 5.628 526 HA ARG 59 HA ARG 59 20.196 -7.415 5.205 527 HB2 ARG 59 2HB ARG 59 22.956 -7.902 6.377 528 HB3 ARG 59 3HB ARG 59 21.732 -9.123 6.049 529 HG2 ARG 59 2HG ARG 59 23.224 -7.466 3.962 530 HG3 ARG 59 3HG ARG 59 23.495 -9.148 4.380 531 HD2 ARG 59 2HD ARG 59 22.282 -9.337 2.418 532 HD3 ARG 59 3HD ARG 59 21.063 -9.595 3.655 533 HE ARG 59 HE ARG 59 19.978 -7.639 2.986 534 HH11 ARG 59 1HH1 ARG 59 23.125 -7.587 1.428 535 HH12 ARG 59 2HH1 ARG 59 22.674 -6.248 0.408 536 HH21 ARG 59 1HH2 ARG 59 19.489 -5.974 1.690 537 HH22 ARG 59 2HH2 ARG 59 20.654 -5.334 0.565 538 H GLU 60 H GLU 60 19.337 -8.577 6.973 539 HA GLU 60 HA GLU 60 18.730 -6.758 9.175 540 HB2 GLU 60 2HB GLU 60 16.919 -8.277 9.689 541 HB3 GLU 60 3HB GLU 60 16.944 -7.825 7.987 542 HG2 GLU 60 2HG GLU 60 17.911 -10.009 7.380 543 HG3 GLU 60 3HG GLU 60 18.031 -10.453 9.086 544 H GLU 61 H GLU 61 21.143 -9.056 8.944 545 HA GLU 61 HA GLU 61 21.140 -9.969 11.725 546 HB2 GLU 61 2HB GLU 61 22.194 -11.248 9.888 547 HB3 GLU 61 3HB GLU 61 23.364 -9.945 9.648 548 HG2 GLU 61 2HG GLU 61 24.247 -10.293 11.929 549 HG3 GLU 61 3HG GLU 61 23.009 -11.510 12.242 550 H PHE 62 H PHE 62 22.203 -9.075 13.470 551 HA PHE 62 HA PHE 62 23.772 -6.581 13.154 552 HB2 PHE 62 2HB PHE 62 22.404 -5.325 14.638 553 HB3 PHE 62 3HB PHE 62 21.359 -5.957 13.386 554 HD1 PHE 62 2HD PHE 62 19.752 -7.832 13.905 555 HD2 PHE 62 1HD PHE 62 22.131 -5.944 16.970 556 HE1 PHE 62 2HE PHE 62 18.278 -8.804 15.652 557 HE2 PHE 62 1HE PHE 62 20.655 -6.918 18.713 558 HZ PHE 62 HZ PHE 62 18.728 -8.350 18.058 559 H ILE 63 H ILE 63 24.645 -5.818 15.262 560 HA ILE 63 HA ILE 63 25.018 -7.837 17.356 561 HB ILE 63 HB ILE 63 26.862 -8.215 15.745 562 HG12 ILE 63 2HG1 ILE 63 28.773 -8.137 17.251 563 HG13 ILE 63 3HG1 ILE 63 27.926 -7.067 18.356 564 HG21 ILE 63 1HG2 ILE 63 28.651 -6.574 15.427 565 HG22 ILE 63 2HG2 ILE 63 27.114 -5.934 14.840 566 HG23 ILE 63 3HG2 ILE 63 27.771 -5.378 16.395 567 HD11 ILE 63 3HD1 ILE 63 27.052 -9.905 17.644 568 HD12 ILE 63 1HD1 ILE 63 27.949 -9.439 19.102 569 HD13 ILE 63 2HD1 ILE 63 26.294 -8.859 18.869 570 H VAL 64 H VAL 64 25.734 -6.934 19.376 571 HA VAL 64 HA VAL 64 24.569 -4.315 19.845 572 HB VAL 64 HB VAL 64 24.981 -4.776 22.218 573 HG11 VAL 64 1HG1 VAL 64 22.955 -5.643 21.098 574 HG12 VAL 64 2HG1 VAL 64 23.790 -7.178 20.771 575 HG13 VAL 64 3HG1 VAL 64 23.481 -6.669 22.442 576 HG21 VAL 64 3HG2 VAL 64 25.896 -6.908 22.978 577 HG22 VAL 64 1HG2 VAL 64 26.264 -7.399 21.316 578 HG23 VAL 64 2HG2 VAL 64 27.122 -6.030 22.059 579 H THR 65 H THR 65 27.763 -5.159 19.047 580 HA THR 65 HA THR 65 29.115 -3.145 20.675 581 HB THR 65 HB THR 65 31.119 -3.809 19.309 582 HG1 THR 65 1HG THR 65 30.168 -4.578 17.452 583 HG21 THR 65 1HG2 THR 65 30.589 -4.906 21.467 584 HG22 THR 65 2HG2 THR 65 31.351 -6.021 20.320 585 HG23 THR 65 3HG2 THR 65 29.601 -6.113 20.611 586 H ASP 66 H ASP 66 30.236 -1.332 19.950 587 HA ASP 66 HA ASP 66 28.945 0.220 17.843 588 HB2 ASP 66 2HB ASP 66 29.581 1.216 19.989 589 HB3 ASP 66 3HB ASP 66 31.274 0.845 19.688 Start of MODEL 8 1 H1 GLY -1 1H GLY -1 -16.660 -9.974 22.412 2 H2 GLY -1 2H GLY -1 -16.093 -8.660 23.206 3 H3 GLY -1 3H GLY -1 -17.015 -9.759 23.998 4 HA2 GLY -1 2HA GLY -1 -14.711 -10.031 24.623 5 HA3 GLY -1 3HA GLY -1 -15.327 -11.454 23.764 6 H SER 0 H SER 0 -12.564 -10.358 24.035 7 HA SER 0 HA SER 0 -11.771 -9.167 21.538 8 HB2 SER 0 2HB SER 0 -10.062 -10.319 23.764 9 HB3 SER 0 3HB SER 0 -9.530 -9.214 22.480 10 HG SER 0 HG SER 0 -10.017 -8.110 24.439 11 H GLN 1 H GLN 1 -12.973 -11.351 20.609 12 HA GLN 1 HA GLN 1 -11.122 -13.563 20.133 13 HB2 GLN 1 2HB GLN 1 -13.541 -13.895 20.445 14 HB3 GLN 1 3HB GLN 1 -13.878 -12.934 19.006 15 HG2 GLN 1 2HG GLN 1 -14.074 -15.353 18.588 16 HG3 GLN 1 3HG GLN 1 -12.841 -14.619 17.578 17 HE21 GLN 1 1HE2 GLN 1 -13.370 -16.768 20.402 18 HE22 GLN 1 2HE2 GLN 1 -11.737 -17.424 20.373 19 H ARG 2 H ARG 2 -10.026 -14.039 18.318 20 HA ARG 2 HA ARG 2 -8.527 -13.638 16.669 21 HB2 ARG 2 2HB ARG 2 -10.706 -12.058 15.264 22 HB3 ARG 2 3HB ARG 2 -9.304 -12.815 14.532 23 HG2 ARG 2 2HG ARG 2 -11.742 -14.172 15.688 24 HG3 ARG 2 3HG ARG 2 -11.190 -14.169 14.026 25 HD2 ARG 2 2HD ARG 2 -9.843 -15.565 16.370 26 HD3 ARG 2 3HD ARG 2 -10.794 -16.337 15.101 27 HE ARG 2 HE ARG 2 -8.888 -15.142 13.606 28 HH11 ARG 2 1HH2 ARG 2 -8.560 -17.190 16.430 29 HH12 ARG 2 2HH2 ARG 2 -6.986 -17.763 15.946 30 HH21 ARG 2 1HH1 ARG 2 -6.867 -15.902 13.056 31 HH22 ARG 2 2HH1 ARG 2 -6.063 -17.051 14.083 32 H ARG 3 H ARG 3 -7.536 -11.896 15.129 33 HA ARG 3 HA ARG 3 -6.344 -9.845 16.843 34 HB2 ARG 3 2HB ARG 3 -5.983 -10.546 13.896 35 HB3 ARG 3 3HB ARG 3 -5.084 -9.266 14.717 36 HG2 ARG 3 2HG ARG 3 -4.097 -10.873 16.288 37 HG3 ARG 3 3HG ARG 3 -5.074 -12.179 15.614 38 HD2 ARG 3 2HD ARG 3 -2.877 -12.405 14.733 39 HD3 ARG 3 3HD ARG 3 -3.945 -11.896 13.418 40 HE ARG 3 HE ARG 3 -2.730 -9.581 14.589 41 HH11 ARG 3 1HH1 ARG 3 -1.730 -12.325 12.637 42 HH12 ARG 3 2HH1 ARG 3 -0.477 -11.395 11.845 43 HH21 ARG 3 1HH2 ARG 3 -1.041 -8.509 13.558 44 HH22 ARG 3 2HH2 ARG 3 -0.134 -9.355 12.320 45 H GLN 4 H GLN 4 -6.257 -7.599 16.402 46 HA GLN 4 HA GLN 4 -8.841 -6.452 16.156 47 HB2 GLN 4 2HB GLN 4 -7.046 -5.605 17.598 48 HB3 GLN 4 3HB GLN 4 -6.078 -5.181 16.190 49 HG2 GLN 4 2HG GLN 4 -7.072 -3.199 17.160 50 HG3 GLN 4 3HG GLN 4 -7.718 -3.448 15.549 51 HE21 GLN 4 1HE2 GLN 4 -9.985 -4.281 15.378 52 HE22 GLN 4 2HE2 GLN 4 -11.083 -3.981 16.729 53 H ARG 5 H ARG 5 -6.339 -6.854 13.721 54 HA ARG 5 HA ARG 5 -8.282 -6.234 11.632 55 HB2 ARG 5 2HB ARG 5 -6.994 -4.689 10.387 56 HB3 ARG 5 3HB ARG 5 -7.206 -4.016 11.982 57 HG2 ARG 5 2HG ARG 5 -4.963 -4.164 12.546 58 HG3 ARG 5 3HG ARG 5 -4.645 -5.552 11.509 59 HD2 ARG 5 2HD ARG 5 -5.161 -2.735 10.499 60 HD3 ARG 5 3HD ARG 5 -3.566 -3.477 10.674 61 HE ARG 5 HE ARG 5 -4.475 -5.308 9.092 62 HH11 ARG 5 1HH1 ARG 5 -5.275 -1.914 8.604 63 HH12 ARG 5 2HH1 ARG 5 -6.122 -2.287 7.111 64 HH21 ARG 5 1HH2 ARG 5 -5.617 -5.643 7.210 65 HH22 ARG 5 2HH2 ARG 5 -6.080 -4.248 6.264 66 H THR 6 H THR 6 -7.273 -6.744 9.391 67 HA THR 6 HA THR 6 -6.173 -9.428 9.501 68 HB THR 6 HB THR 6 -6.148 -9.258 7.010 69 HG1 THR 6 1HG THR 6 -7.190 -7.412 6.148 70 HG21 THR 6 1HG2 THR 6 -8.175 -10.035 8.230 71 HG22 THR 6 2HG2 THR 6 -8.567 -9.197 6.721 72 HG23 THR 6 3HG2 THR 6 -8.776 -8.363 8.276 73 H HIS 7 H HIS 7 -4.246 -10.202 8.691 74 HA HIS 7 HA HIS 7 -1.903 -8.395 8.835 75 HB2 HIS 7 2HB HIS 7 -2.169 -10.599 10.095 76 HB3 HIS 7 3HB HIS 7 -2.011 -11.420 8.550 77 HD2 HIS 7 2HD HIS 7 0.439 -11.796 7.653 78 HE1 HIS 7 1HE HIS 7 2.558 -9.816 10.781 79 HE2 HIS 7 2HE HIS 7 2.789 -11.324 8.745 80 H PHE 8 H PHE 8 -0.082 -8.931 7.173 81 HA PHE 8 HA PHE 8 -0.936 -8.322 4.530 82 HB2 PHE 8 2HB PHE 8 1.652 -9.633 5.431 83 HB3 PHE 8 3HB PHE 8 1.356 -8.926 3.855 84 HD1 PHE 8 1HD PHE 8 0.298 -6.316 4.163 85 HD2 PHE 8 2HD PHE 8 3.204 -8.361 6.610 86 HE1 PHE 8 1HE PHE 8 1.301 -4.136 4.805 87 HE2 PHE 8 2HE PHE 8 4.182 -6.177 7.270 88 HZ PHE 8 HZ PHE 8 3.240 -4.062 6.362 89 H THR 9 H THR 9 -1.073 -9.516 2.655 90 HA THR 9 HA THR 9 -0.596 -12.440 2.689 91 HB THR 9 HB THR 9 -3.031 -12.119 3.035 92 HG1 THR 9 1HG THR 9 -3.562 -13.597 1.465 93 HG21 THR 9 1HG2 THR 9 -3.038 -10.960 0.208 94 HG22 THR 9 2HG2 THR 9 -3.419 -10.068 1.698 95 HG23 THR 9 3HG2 THR 9 -4.457 -11.399 1.180 96 H SER 10 H SER 10 -0.443 -13.314 0.411 97 HA SER 10 HA SER 10 1.676 -12.002 -0.905 98 HB2 SER 10 2HB SER 10 1.283 -13.649 -2.735 99 HB3 SER 10 3HB SER 10 1.362 -14.371 -1.118 100 HG SER 10 HG SER 10 -0.397 -15.200 -2.334 101 H GLN 11 H GLN 11 -1.794 -11.897 -1.698 102 HA GLN 11 HA GLN 11 -1.563 -10.447 -4.142 103 HB2 GLN 11 2HB GLN 11 -3.846 -10.599 -2.140 104 HB3 GLN 11 3HB GLN 11 -3.957 -9.879 -3.754 105 HG2 GLN 11 2HG GLN 11 -3.289 -12.048 -4.775 106 HG3 GLN 11 3HG GLN 11 -3.236 -12.789 -3.176 107 HE21 GLN 11 1HE2 GLN 11 -4.823 -14.156 -4.742 108 HE22 GLN 11 2HE2 GLN 11 -6.517 -13.761 -4.487 109 H GLN 12 H GLN 12 -1.678 -9.241 -0.778 110 HA GLN 12 HA GLN 12 -1.843 -6.411 -1.583 111 HB2 GLN 12 2HB GLN 12 -1.162 -7.795 1.039 112 HB3 GLN 12 3HB GLN 12 -1.271 -6.048 0.830 113 HG2 GLN 12 2HG GLN 12 -3.622 -6.135 0.339 114 HG3 GLN 12 3HG GLN 12 -3.622 -7.892 0.224 115 HE21 GLN 12 1HE2 GLN 12 -5.087 -5.924 2.110 116 HE22 GLN 12 2HE2 GLN 12 -4.775 -6.673 3.678 117 H LEU 13 H LEU 13 0.678 -8.704 -0.510 118 HA LEU 13 HA LEU 13 2.825 -6.813 -0.420 119 HB2 LEU 13 2HB LEU 13 2.770 -9.840 -0.746 120 HB3 LEU 13 3HB LEU 13 4.243 -8.919 -0.468 121 HG LEU 13 HG LEU 13 1.881 -8.918 1.468 122 HD11 LEU 13 1HD1 LEU 13 2.853 -11.173 1.285 123 HD12 LEU 13 2HD1 LEU 13 3.229 -10.434 2.849 124 HD13 LEU 13 3HD1 LEU 13 4.475 -10.504 1.582 125 HD21 LEU 13 3HD2 LEU 13 3.290 -6.949 1.741 126 HD22 LEU 13 1HD2 LEU 13 4.757 -7.971 1.755 127 HD23 LEU 13 2HD2 LEU 13 3.574 -8.064 3.076 128 H GLN 14 H GLN 14 1.713 -8.938 -3.121 129 HA GLN 14 HA GLN 14 3.825 -8.028 -4.867 130 HB2 GLN 14 2HB GLN 14 2.808 -9.233 -6.582 131 HB3 GLN 14 3HB GLN 14 2.607 -10.179 -5.108 132 HG2 GLN 14 2HG GLN 14 0.238 -9.295 -4.973 133 HG3 GLN 14 3HG GLN 14 0.474 -8.546 -6.553 134 HE21 GLN 14 1HE2 GLN 14 1.205 -10.133 -8.371 135 HE22 GLN 14 2HE2 GLN 14 0.498 -11.742 -8.288 136 H GLU 15 H GLU 15 0.554 -6.771 -4.236 137 HA GLU 15 HA GLU 15 0.670 -4.753 -6.331 138 HB2 GLU 15 2HB GLU 15 -1.030 -5.046 -3.832 139 HB3 GLU 15 3HB GLU 15 -1.095 -3.612 -4.861 140 HG2 GLU 15 2HG GLU 15 -1.564 -5.067 -6.841 141 HG3 GLU 15 3HG GLU 15 -1.678 -6.458 -5.772 142 H LEU 16 H LEU 16 1.680 -4.705 -2.873 143 HA LEU 16 HA LEU 16 2.588 -1.957 -2.975 144 HB2 LEU 16 2HB LEU 16 2.996 -4.304 -1.125 145 HB3 LEU 16 3HB LEU 16 4.004 -2.877 -0.950 146 HG LEU 16 HG LEU 16 1.010 -2.524 -1.074 147 HD11 LEU 16 1HD1 LEU 16 0.936 -2.643 1.387 148 HD12 LEU 16 2HD1 LEU 16 2.648 -3.123 1.432 149 HD13 LEU 16 3HD1 LEU 16 1.434 -4.201 0.708 150 HD21 LEU 16 3HD2 LEU 16 1.531 -0.552 0.305 151 HD22 LEU 16 1HD2 LEU 16 2.460 -0.517 -1.205 152 HD23 LEU 16 2HD2 LEU 16 3.252 -0.984 0.311 153 H GLU 17 H GLU 17 4.261 -5.062 -3.685 154 HA GLU 17 HA GLU 17 6.800 -3.837 -4.275 155 HB2 GLU 17 2HB GLU 17 6.512 -6.214 -3.792 156 HB3 GLU 17 3HB GLU 17 5.594 -6.441 -5.289 157 HG2 GLU 17 2HG GLU 17 7.526 -5.952 -6.647 158 HG3 GLU 17 3HG GLU 17 8.428 -5.337 -5.259 159 H ALA 18 H ALA 18 3.997 -4.583 -6.422 160 HA ALA 18 HA ALA 18 5.114 -3.512 -8.813 161 HB1 ALA 18 1HB ALA 18 3.124 -4.937 -8.762 162 HB2 ALA 18 2HB ALA 18 2.218 -3.677 -7.894 163 HB3 ALA 18 3HB ALA 18 2.768 -3.391 -9.556 164 H THR 19 H THR 19 3.294 -1.942 -6.169 165 HA THR 19 HA THR 19 3.196 0.713 -7.216 166 HB THR 19 HB THR 19 3.277 -0.289 -4.346 167 HG1 THR 19 1HG THR 19 1.502 -1.003 -5.425 168 HG21 THR 19 1HG2 THR 19 2.206 1.791 -3.705 169 HG22 THR 19 2HG2 THR 19 2.403 2.439 -5.356 170 HG23 THR 19 3HG2 THR 19 3.827 2.107 -4.337 171 H PHE 20 H PHE 20 5.660 -0.799 -5.032 172 HA PHE 20 HA PHE 20 7.338 1.489 -4.903 173 HB2 PHE 20 2HB PHE 20 7.398 -0.371 -3.312 174 HB3 PHE 20 3HB PHE 20 7.992 -1.457 -4.557 175 HD1 PHE 20 2HD PHE 20 8.858 1.728 -2.741 176 HD2 PHE 20 1HD PHE 20 10.334 -1.707 -4.891 177 HE1 PHE 20 2HE PHE 20 11.181 2.332 -2.108 178 HE2 PHE 20 1HE PHE 20 12.656 -1.110 -4.239 179 HZ PHE 20 HZ PHE 20 13.082 0.911 -2.852 180 H GLN 21 H GLN 21 7.594 -1.366 -7.149 181 HA GLN 21 HA GLN 21 9.951 -0.287 -8.394 182 HB2 GLN 21 2HB GLN 21 9.887 -2.063 -9.894 183 HB3 GLN 21 3HB GLN 21 9.328 -2.682 -8.337 184 HG2 GLN 21 2HG GLN 21 6.961 -2.425 -9.178 185 HG3 GLN 21 3HG GLN 21 7.600 -1.952 -10.748 186 HE21 GLN 21 1HE2 GLN 21 6.130 -3.877 -11.267 187 HE22 GLN 21 2HE2 GLN 21 6.923 -5.450 -11.288 188 H ARG 22 H ARG 22 6.566 0.389 -8.972 189 HA ARG 22 HA ARG 22 7.028 1.838 -11.484 190 HB2 ARG 22 2HB ARG 22 4.875 0.729 -10.987 191 HB3 ARG 22 3HB ARG 22 4.653 1.754 -9.571 192 HG2 ARG 22 2HG ARG 22 3.271 2.527 -11.402 193 HG3 ARG 22 3HG ARG 22 4.474 3.753 -11.013 194 HD2 ARG 22 2HD ARG 22 5.846 3.052 -12.948 195 HD3 ARG 22 3HD ARG 22 4.707 1.760 -13.320 196 HE ARG 22 HE ARG 22 4.407 4.650 -13.811 197 HH11 ARG 22 1HH2 ARG 22 2.662 1.606 -13.772 198 HH12 ARG 22 2HH2 ARG 22 1.364 2.241 -14.746 199 HH21 ARG 22 1HH1 ARG 22 2.721 5.386 -15.039 200 HH22 ARG 22 2HH1 ARG 22 1.402 4.325 -15.438 201 H ASN 23 H ASN 23 6.585 2.743 -8.055 202 HA ASN 23 HA ASN 23 8.083 5.252 -8.544 203 HB2 ASN 23 2HB ASN 23 5.690 5.845 -8.816 204 HB3 ASN 23 3HB ASN 23 5.325 5.146 -7.237 205 HD21 ASN 23 1HD2 ASN 23 4.459 7.564 -7.273 206 HD22 ASN 23 2HD2 ASN 23 5.587 8.718 -6.576 207 H ARG 24 H ARG 24 9.760 5.063 -7.195 208 HA ARG 24 HA ARG 24 9.568 3.617 -4.639 209 HB2 ARG 24 2HB ARG 24 11.900 4.989 -6.031 210 HB3 ARG 24 3HB ARG 24 12.009 4.162 -4.470 211 HG2 ARG 24 2HG ARG 24 11.133 2.078 -5.526 212 HG3 ARG 24 3HG ARG 24 11.177 2.880 -7.103 213 HD2 ARG 24 2HD ARG 24 13.614 3.131 -6.943 214 HD3 ARG 24 3HD ARG 24 13.590 2.517 -5.288 215 HE ARG 24 HE ARG 24 13.445 0.360 -6.042 216 HH11 ARG 24 1HH2 ARG 24 12.776 2.381 -8.827 217 HH12 ARG 24 2HH2 ARG 24 12.714 1.021 -9.911 218 HH21 ARG 24 1HH1 ARG 24 13.328 -1.327 -7.476 219 HH22 ARG 24 2HH1 ARG 24 13.064 -1.015 -9.164 220 H TYR 25 H TYR 25 8.884 6.819 -5.453 221 HA TYR 25 HA TYR 25 9.129 7.631 -2.597 222 HB2 TYR 25 2HB TYR 25 10.135 9.238 -4.955 223 HB3 TYR 25 3HB TYR 25 9.991 9.834 -3.302 224 HD1 TYR 25 2HD TYR 25 11.413 8.925 -1.475 225 HD2 TYR 25 1HD TYR 25 11.955 7.710 -5.580 226 HE1 TYR 25 2HE TYR 25 13.647 7.974 -0.903 227 HE2 TYR 25 1HE TYR 25 14.184 6.760 -5.006 228 HH TYR 25 HH TYR 25 15.732 6.402 -3.355 229 HA PRO 26 HA PRO 26 4.912 8.788 -4.263 230 HB2 PRO 26 2HB PRO 26 3.389 7.248 -2.607 231 HB3 PRO 26 3HB PRO 26 4.032 6.649 -4.171 232 HG2 PRO 26 2HG PRO 26 5.194 6.241 -1.393 233 HG3 PRO 26 3HG PRO 26 4.902 5.009 -2.664 234 HD2 PRO 26 2HD PRO 26 7.342 6.166 -2.277 235 HD3 PRO 26 3HD PRO 26 6.752 5.736 -3.911 236 H ASP 27 H ASP 27 3.702 10.365 -3.210 237 HA ASP 27 HA ASP 27 4.638 11.546 -0.739 238 HB2 ASP 27 2HB ASP 27 3.575 12.826 -2.578 239 HB3 ASP 27 3HB ASP 27 2.064 11.950 -2.317 240 H MET 28 H MET 28 3.391 11.708 1.272 241 HA MET 28 HA MET 28 2.473 9.219 2.296 242 HB2 MET 28 2HB MET 28 2.116 12.072 3.281 243 HB3 MET 28 3HB MET 28 1.693 10.649 4.232 244 HG2 MET 28 2HG MET 28 3.826 10.145 4.744 245 HG3 MET 28 3HG MET 28 4.438 10.494 3.138 246 HE1 MET 28 3HE MET 28 5.318 14.244 3.169 247 HE2 MET 28 1HE MET 28 5.408 12.698 2.300 248 HE3 MET 28 2HE MET 28 3.840 13.510 2.520 249 H SER 29 H SER 29 0.622 11.829 0.723 250 HA SER 29 HA SER 29 -1.991 10.721 1.387 251 HB2 SER 29 2HB SER 29 -2.852 12.217 -0.324 252 HB3 SER 29 3HB SER 29 -1.761 13.065 0.778 253 HG SER 29 HG SER 29 -0.143 13.001 -0.777 254 H THR 30 H THR 30 0.264 10.275 -1.368 255 HA THR 30 HA THR 30 -1.422 8.479 -2.867 256 HB THR 30 HB THR 30 1.614 8.661 -2.814 257 HG1 THR 30 1HG THR 30 1.229 9.967 -4.679 258 HG21 THR 30 1HG2 THR 30 -0.292 7.543 -4.914 259 HG22 THR 30 2HG2 THR 30 0.875 6.611 -3.949 260 HG23 THR 30 3HG2 THR 30 1.460 7.783 -5.134 261 H ARG 31 H ARG 31 1.098 7.940 -0.366 262 HA ARG 31 HA ARG 31 0.909 5.080 -0.262 263 HB2 ARG 31 2HB ARG 31 1.584 7.037 1.975 264 HB3 ARG 31 3HB ARG 31 1.824 5.287 2.042 265 HG2 ARG 31 2HG ARG 31 3.416 5.398 0.151 266 HG3 ARG 31 3HG ARG 31 3.155 7.134 0.025 267 HD2 ARG 31 2HD ARG 31 3.844 7.038 2.638 268 HD3 ARG 31 3HD ARG 31 4.678 5.577 2.080 269 HE ARG 31 HE ARG 31 5.161 7.869 0.341 270 HH11 ARG 31 1HH1 ARG 31 6.295 6.563 3.393 271 HH12 ARG 31 2HH1 ARG 31 7.787 7.456 3.296 272 HH21 ARG 31 1HH2 ARG 31 6.983 8.915 0.268 273 HH22 ARG 31 2HH2 ARG 31 8.190 8.775 1.535 274 H GLU 32 H GLU 32 -1.022 7.551 1.430 275 HA GLU 32 HA GLU 32 -2.624 5.661 2.873 276 HB2 GLU 32 2HB GLU 32 -2.359 8.050 3.482 277 HB3 GLU 32 3HB GLU 32 -3.271 8.524 2.046 278 HG2 GLU 32 2HG GLU 32 -5.262 7.319 2.915 279 HG3 GLU 32 3HG GLU 32 -4.338 6.811 4.330 280 H GLU 33 H GLU 33 -3.184 7.224 -0.355 281 HA GLU 33 HA GLU 33 -5.725 5.941 -0.801 282 HB2 GLU 33 2HB GLU 33 -3.611 7.000 -2.721 283 HB3 GLU 33 3HB GLU 33 -5.129 6.270 -3.255 284 HG2 GLU 33 2HG GLU 33 -6.396 7.933 -1.881 285 HG3 GLU 33 3HG GLU 33 -4.882 8.749 -1.505 286 H ILE 34 H ILE 34 -2.377 4.778 -1.679 287 HA ILE 34 HA ILE 34 -3.504 2.323 -2.710 288 HB ILE 34 HB ILE 34 -1.305 1.460 -2.948 289 HG12 ILE 34 2HG1 ILE 34 0.671 3.072 -2.464 290 HG13 ILE 34 3HG1 ILE 34 -0.395 3.797 -1.276 291 HG21 ILE 34 1HG2 ILE 34 -0.457 3.081 -4.520 292 HG22 ILE 34 2HG2 ILE 34 -2.225 3.115 -4.571 293 HG23 ILE 34 3HG2 ILE 34 -1.332 4.398 -3.723 294 HD11 ILE 34 3HD1 ILE 34 0.293 0.834 -1.308 295 HD12 ILE 34 1HD1 ILE 34 1.254 2.049 -0.446 296 HD13 ILE 34 2HD1 ILE 34 -0.417 1.761 0.037 297 H ALA 35 H ALA 35 -2.606 3.262 0.568 298 HA ALA 35 HA ALA 35 -2.799 0.638 1.743 299 HB1 ALA 35 1HB ALA 35 -3.499 3.314 3.016 300 HB2 ALA 35 2HB ALA 35 -3.059 1.808 3.830 301 HB3 ALA 35 3HB ALA 35 -1.851 2.674 2.873 302 H VAL 36 H VAL 36 -5.279 3.191 1.147 303 HA VAL 36 HA VAL 36 -7.553 1.705 2.054 304 HB VAL 36 HB VAL 36 -7.239 3.933 0.011 305 HG11 VAL 36 1HG1 VAL 36 -9.856 2.790 1.055 306 HG12 VAL 36 2HG1 VAL 36 -9.654 4.292 0.116 307 HG13 VAL 36 3HG1 VAL 36 -9.288 2.743 -0.631 308 HG21 VAL 36 3HG2 VAL 36 -8.441 3.883 2.805 309 HG22 VAL 36 1HG2 VAL 36 -6.824 4.487 2.404 310 HG23 VAL 36 2HG2 VAL 36 -8.248 5.304 1.749 311 H TRP 37 H TRP 37 -6.077 1.875 -1.234 312 HA TRP 37 HA TRP 37 -7.984 0.140 -2.456 313 HB2 TRP 37 2HB TRP 37 -5.119 0.715 -3.236 314 HB3 TRP 37 3HB TRP 37 -6.334 -0.002 -4.282 315 HD1 TRP 37 1HD TRP 37 -8.226 2.598 -2.729 316 HE1 TRP 37 1HE TRP 37 -8.192 4.814 -4.021 317 HE3 TRP 37 3HE TRP 37 -4.210 1.687 -5.766 318 HZ2 TRP 37 2HZ TRP 37 -6.567 6.071 -6.047 319 HZ3 TRP 37 3HZ TRP 37 -3.413 3.434 -7.346 320 HH2 TRP 37 2HH TRP 37 -4.578 5.623 -7.493 321 H THR 38 H THR 38 -4.946 -0.654 -0.780 322 HA THR 38 HA THR 38 -5.272 -3.555 -1.307 323 HB THR 38 HB THR 38 -3.228 -3.783 0.109 324 HG1 THR 38 1HG THR 38 -3.042 -0.977 -0.134 325 HG21 THR 38 1HG2 THR 38 -2.952 -1.873 -2.248 326 HG22 THR 38 2HG2 THR 38 -3.030 -3.646 -2.332 327 HG23 THR 38 3HG2 THR 38 -1.660 -2.862 -1.527 328 H ASN 39 H ASN 39 -6.640 -1.444 0.864 329 HA ASN 39 HA ASN 39 -7.664 -1.515 2.796 330 HB2 ASN 39 2HB ASN 39 -8.822 -3.451 1.640 331 HB3 ASN 39 3HB ASN 39 -7.802 -4.537 2.585 332 HD21 ASN 39 1HD2 ASN 39 -9.820 -5.406 3.448 333 HD22 ASN 39 2HD2 ASN 39 -10.661 -4.523 4.715 334 H LEU 40 H LEU 40 -4.778 -1.544 2.843 335 HA LEU 40 HA LEU 40 -4.192 -2.648 5.552 336 HB2 LEU 40 2HB LEU 40 -2.417 -1.468 3.388 337 HB3 LEU 40 3HB LEU 40 -1.906 -1.521 5.055 338 HG LEU 40 HG LEU 40 -0.858 -3.326 4.278 339 HD11 LEU 40 1HD1 LEU 40 -1.818 -5.338 5.152 340 HD12 LEU 40 2HD1 LEU 40 -3.459 -4.689 5.025 341 HD13 LEU 40 3HD1 LEU 40 -2.315 -4.005 6.209 342 HD21 LEU 40 3HD2 LEU 40 -1.702 -3.397 2.038 343 HD22 LEU 40 1HD2 LEU 40 -3.256 -4.062 2.596 344 HD23 LEU 40 2HD2 LEU 40 -1.757 -5.014 2.754 345 H THR 41 H THR 41 -3.010 -1.164 6.991 346 HA THR 41 HA THR 41 -4.402 1.445 7.291 347 HB THR 41 HB THR 41 -2.455 0.024 9.148 348 HG1 THR 41 1HG THR 41 -5.230 0.276 9.524 349 HG21 THR 41 1HG2 THR 41 -4.336 2.384 9.600 350 HG22 THR 41 2HG2 THR 41 -2.563 2.402 9.685 351 HG23 THR 41 3HG2 THR 41 -3.487 1.497 10.888 352 H GLU 42 H GLU 42 -3.316 3.422 7.041 353 HA GLU 42 HA GLU 42 -1.144 3.407 5.228 354 HB2 GLU 42 2HB GLU 42 -1.188 5.762 5.321 355 HB3 GLU 42 3HB GLU 42 -2.839 5.165 5.358 356 HG2 GLU 42 2HG GLU 42 -1.229 6.330 7.666 357 HG3 GLU 42 3HG GLU 42 -2.568 7.094 6.826 358 H ALA 43 H ALA 43 -1.034 3.717 8.771 359 HA ALA 43 HA ALA 43 1.766 4.342 8.907 360 HB1 ALA 43 1HB ALA 43 -0.096 2.991 10.919 361 HB2 ALA 43 2HB ALA 43 1.504 3.676 11.281 362 HB3 ALA 43 3HB ALA 43 0.185 4.740 10.755 363 H ARG 44 H ARG 44 -0.002 1.250 8.698 364 HA ARG 44 HA ARG 44 2.341 -0.454 9.073 365 HB2 ARG 44 2HB ARG 44 0.046 -1.203 9.568 366 HB3 ARG 44 3HB ARG 44 -0.397 -1.054 7.861 367 HG2 ARG 44 2HG ARG 44 1.181 -2.799 7.236 368 HG3 ARG 44 3HG ARG 44 1.817 -2.876 8.893 369 HD2 ARG 44 2HD ARG 44 -0.375 -3.625 9.713 370 HD3 ARG 44 3HD ARG 44 -1.047 -3.536 8.075 371 HE ARG 44 HE ARG 44 0.939 -5.193 7.548 372 HH11 ARG 44 1HH1 ARG 44 -1.164 -5.408 10.349 373 HH12 ARG 44 2HH1 ARG 44 -0.727 -7.066 10.649 374 HH21 ARG 44 1HH2 ARG 44 1.520 -7.228 8.060 375 HH22 ARG 44 2HH2 ARG 44 0.749 -8.076 9.379 376 H VAL 45 H VAL 45 0.693 0.952 6.262 377 HA VAL 45 HA VAL 45 2.472 -0.150 4.264 378 HB VAL 45 HB VAL 45 0.619 2.243 4.330 379 HG11 VAL 45 1HG1 VAL 45 0.918 2.496 1.921 380 HG12 VAL 45 2HG1 VAL 45 2.399 2.892 2.778 381 HG13 VAL 45 3HG1 VAL 45 2.257 1.319 1.946 382 HG21 VAL 45 3HG2 VAL 45 0.620 -0.467 2.927 383 HG22 VAL 45 1HG2 VAL 45 -0.458 0.077 4.234 384 HG23 VAL 45 2HG2 VAL 45 -0.568 0.802 2.624 385 H ARG 46 H ARG 46 2.681 2.922 6.173 386 HA ARG 46 HA ARG 46 5.139 3.815 5.051 387 HB2 ARG 46 2HB ARG 46 3.551 5.054 6.580 388 HB3 ARG 46 3HB ARG 46 4.211 4.140 7.938 389 HG2 ARG 46 2HG ARG 46 6.482 5.057 7.420 390 HG3 ARG 46 3HG ARG 46 5.777 6.021 6.113 391 HD2 ARG 46 2HD ARG 46 5.015 6.177 9.059 392 HD3 ARG 46 3HD ARG 46 6.113 7.297 8.229 393 HE ARG 46 HE ARG 46 3.702 7.318 6.771 394 HH11 ARG 46 1HH1 ARG 46 4.727 8.314 9.967 395 HH12 ARG 46 2HH1 ARG 46 3.449 9.489 10.111 396 HH21 ARG 46 1HH2 ARG 46 2.066 8.807 7.039 397 HH22 ARG 46 2HH2 ARG 46 1.994 9.759 8.491 398 H VAL 47 H VAL 47 4.616 1.590 7.808 399 HA VAL 47 HA VAL 47 7.407 1.004 8.248 400 HB VAL 47 HB VAL 47 4.874 -0.505 8.967 401 HG11 VAL 47 1HG1 VAL 47 6.273 -1.795 10.569 402 HG12 VAL 47 2HG1 VAL 47 6.658 -2.188 8.896 403 HG13 VAL 47 3HG1 VAL 47 7.737 -1.116 9.826 404 HG21 VAL 47 3HG2 VAL 47 6.863 1.120 10.622 405 HG22 VAL 47 1HG2 VAL 47 5.261 1.680 10.116 406 HG23 VAL 47 2HG2 VAL 47 5.399 0.320 11.234 407 H TRP 48 H TRP 48 5.006 -0.539 6.048 408 HA TRP 48 HA TRP 48 6.724 -2.610 5.114 409 HB2 TRP 48 2HB TRP 48 4.272 -2.427 4.649 410 HB3 TRP 48 3HB TRP 48 4.610 -1.131 3.503 411 HD1 TRP 48 1HD TRP 48 4.663 -4.869 3.864 412 HE1 TRP 48 1HE TRP 48 5.332 -5.988 1.659 413 HE3 TRP 48 3HE TRP 48 6.054 -0.701 1.207 414 HZ2 TRP 48 2HZ TRP 48 6.390 -5.199 -0.908 415 HZ3 TRP 48 3HZ TRP 48 6.948 -0.929 -1.085 416 HH2 TRP 48 2HH TRP 48 7.151 -3.161 -2.147 417 H PHE 49 H PHE 49 6.302 0.743 3.802 418 HA PHE 49 HA PHE 49 8.340 0.466 1.815 419 HB2 PHE 49 2HB PHE 49 7.120 2.877 3.180 420 HB3 PHE 49 3HB PHE 49 8.427 3.034 2.018 421 HD1 PHE 49 1HD PHE 49 8.134 1.795 -0.294 422 HD2 PHE 49 2HD PHE 49 4.894 2.925 2.315 423 HE1 PHE 49 1HE PHE 49 6.551 1.723 -2.214 424 HE2 PHE 49 2HE PHE 49 3.327 2.842 0.397 425 HZ PHE 49 HZ PHE 49 4.149 2.242 -1.865 426 H LYS 50 H LYS 50 8.624 1.556 5.234 427 HA LYS 50 HA LYS 50 11.401 2.193 5.166 428 HB2 LYS 50 2HB LYS 50 9.793 2.712 7.002 429 HB3 LYS 50 3HB LYS 50 9.785 1.005 7.465 430 HG2 LYS 50 2HG LYS 50 12.214 1.124 7.964 431 HG3 LYS 50 3HG LYS 50 12.234 2.823 7.447 432 HD2 LYS 50 2HD LYS 50 10.627 3.387 9.272 433 HD3 LYS 50 3HD LYS 50 10.566 1.684 9.735 434 HE2 LYS 50 2HE LYS 50 12.020 2.748 11.281 435 HE3 LYS 50 3HE LYS 50 13.022 1.746 10.230 436 HZ1 LYS 50 3HZ LYS 50 12.666 4.690 9.956 437 HZ2 LYS 50 1HZ LYS 50 13.624 3.771 8.998 438 HZ3 LYS 50 2HZ LYS 50 13.983 3.958 10.577 439 H ASN 51 H ASN 51 9.839 -0.976 5.700 440 HA ASN 51 HA ASN 51 12.345 -2.434 5.987 441 HB2 ASN 51 2HB ASN 51 9.449 -3.239 5.513 442 HB3 ASN 51 3HB ASN 51 10.756 -4.416 5.442 443 HD21 ASN 51 2HD2 ASN 51 9.080 -2.151 7.629 444 HD22 ASN 51 1HD2 ASN 51 9.693 -2.929 9.088 445 H ARG 52 H ARG 52 10.157 -1.887 3.183 446 HA ARG 52 HA ARG 52 11.618 -3.403 1.276 447 HB2 ARG 52 2HB ARG 52 9.344 -2.593 0.895 448 HB3 ARG 52 3HB ARG 52 9.881 -0.922 0.969 449 HG2 ARG 52 2HG ARG 52 9.451 -1.626 -1.335 450 HG3 ARG 52 3HG ARG 52 11.110 -1.113 -1.091 451 HD2 ARG 52 2HD ARG 52 11.033 -3.025 -2.549 452 HD3 ARG 52 3HD ARG 52 11.870 -3.466 -1.062 453 HE ARG 52 HE ARG 52 9.360 -4.290 -0.470 454 HH11 ARG 52 1HH1 ARG 52 11.164 -4.871 -3.462 455 HH12 ARG 52 2HH1 ARG 52 10.220 -6.336 -3.759 456 HH21 ARG 52 1HH2 ARG 52 8.413 -6.308 -0.961 457 HH22 ARG 52 2HH2 ARG 52 8.825 -7.038 -2.514 458 H ARG 53 H ARG 53 12.070 0.042 2.186 459 HA ARG 53 HA ARG 53 14.230 0.576 0.363 460 HB2 ARG 53 2HB ARG 53 13.499 1.780 3.065 461 HB3 ARG 53 3HB ARG 53 14.801 2.407 2.040 462 HG2 ARG 53 2HG ARG 53 13.262 2.890 0.229 463 HG3 ARG 53 3HG ARG 53 11.926 2.122 1.078 464 HD2 ARG 53 2HD ARG 53 12.384 3.835 2.982 465 HD3 ARG 53 3HD ARG 53 13.325 4.727 1.784 466 HE ARG 53 HE ARG 53 10.461 4.593 2.040 467 HH11 ARG 53 1HH1 ARG 53 12.876 4.975 -0.499 468 HH12 ARG 53 2HH1 ARG 53 11.639 5.415 -1.666 469 HH21 ARG 53 1HH2 ARG 53 9.004 5.195 0.432 470 HH22 ARG 53 2HH2 ARG 53 9.635 5.490 -1.179 471 H ALA 54 H ALA 54 14.355 -0.636 3.740 472 HA ALA 54 HA ALA 54 17.199 -0.779 3.884 473 HB1 ALA 54 1HB ALA 54 15.082 -2.426 5.339 474 HB2 ALA 54 2HB ALA 54 16.777 -2.222 5.829 475 HB3 ALA 54 3HB ALA 54 15.683 -0.826 5.833 476 H LYS 55 H LYS 55 14.830 -3.153 2.652 477 HA LYS 55 HA LYS 55 16.805 -5.224 2.071 478 HB2 LYS 55 2HB LYS 55 13.937 -4.759 1.157 479 HB3 LYS 55 3HB LYS 55 14.894 -6.176 0.703 480 HG2 LYS 55 2HG LYS 55 15.143 -6.855 3.019 481 HG3 LYS 55 3HG LYS 55 14.336 -5.391 3.598 482 HD2 LYS 55 2HD LYS 55 12.263 -6.053 2.400 483 HD3 LYS 55 3HD LYS 55 13.035 -7.556 1.881 484 HE2 LYS 55 2HE LYS 55 12.615 -6.703 4.787 485 HE3 LYS 55 3HE LYS 55 11.521 -7.760 3.891 486 HZ1 LYS 55 3HZ LYS 55 14.365 -8.385 4.490 487 HZ2 LYS 55 1HZ LYS 55 13.355 -9.346 3.631 488 HZ3 LYS 55 2HZ LYS 55 13.068 -9.060 5.210 489 H TRP 56 H TRP 56 15.196 -2.759 0.045 490 HA TRP 56 HA TRP 56 16.408 -3.529 -2.423 491 HB2 TRP 56 2HB TRP 56 14.347 -2.276 -2.328 492 HB3 TRP 56 3HB TRP 56 15.120 -0.960 -1.453 493 HD1 TRP 56 1HD TRP 56 15.477 -2.652 -4.922 494 HE1 TRP 56 1HE TRP 56 16.145 -0.872 -6.650 495 HE3 TRP 56 3HE TRP 56 15.785 1.421 -1.820 496 HZ2 TRP 56 2HZ TRP 56 16.689 1.960 -6.693 497 HZ3 TRP 56 3HZ TRP 56 16.378 3.652 -2.738 498 HH2 TRP 56 2HH TRP 56 16.837 3.932 -5.165 499 H ARG 57 H ARG 57 17.364 -0.974 -0.086 500 HA ARG 57 HA ARG 57 19.784 -0.331 -1.642 501 HB2 ARG 57 2HB ARG 57 18.213 1.311 -0.400 502 HB3 ARG 57 3HB ARG 57 19.003 0.775 1.074 503 HG2 ARG 57 2HG ARG 57 21.068 1.452 -0.867 504 HG3 ARG 57 3HG ARG 57 19.845 2.709 -0.924 505 HD2 ARG 57 2HD ARG 57 21.563 3.330 0.649 506 HD3 ARG 57 3HD ARG 57 20.048 3.043 1.525 507 HE ARG 57 HE ARG 57 21.550 0.617 1.488 508 HH11 ARG 57 1HH2 ARG 57 22.080 3.805 2.849 509 HH12 ARG 57 2HH2 ARG 57 22.962 3.167 4.210 510 HH21 ARG 57 1HH1 ARG 57 22.427 -0.118 3.332 511 HH22 ARG 57 2HH1 ARG 57 23.240 0.970 4.435 512 H LYS 58 H LYS 58 19.093 -2.746 0.462 513 HA LYS 58 HA LYS 58 20.155 -4.222 1.785 514 HB2 LYS 58 2HB LYS 58 22.708 -3.290 0.414 515 HB3 LYS 58 3HB LYS 58 22.508 -4.763 1.360 516 HG2 LYS 58 2HG LYS 58 20.809 -5.583 -0.275 517 HG3 LYS 58 3HG LYS 58 21.040 -4.117 -1.234 518 HD2 LYS 58 2HD LYS 58 22.302 -5.877 -2.250 519 HD3 LYS 58 3HD LYS 58 23.441 -4.712 -1.556 520 HE2 LYS 58 2HE LYS 58 23.821 -6.180 0.381 521 HE3 LYS 58 3HE LYS 58 22.565 -7.293 -0.183 522 HZ1 LYS 58 3HZ LYS 58 23.949 -7.725 -2.156 523 HZ2 LYS 58 1HZ LYS 58 24.743 -8.111 -0.787 524 HZ3 LYS 58 2HZ LYS 58 25.127 -6.739 -1.582 525 H ARG 59 H ARG 59 21.589 -4.633 3.607 526 HA ARG 59 HA ARG 59 21.824 -2.443 5.498 527 HB2 ARG 59 2HB ARG 59 21.516 -4.847 6.102 528 HB3 ARG 59 3HB ARG 59 23.155 -5.191 5.526 529 HG2 ARG 59 2HG ARG 59 24.087 -3.668 7.247 530 HG3 ARG 59 3HG ARG 59 22.443 -3.255 7.781 531 HD2 ARG 59 2HD ARG 59 22.051 -5.617 8.399 532 HD3 ARG 59 3HD ARG 59 23.686 -6.038 7.842 533 HE ARG 59 HE ARG 59 23.912 -3.946 9.755 534 HH11 ARG 59 1HH1 ARG 59 23.014 -7.333 9.749 535 HH12 ARG 59 2HH1 ARG 59 23.531 -7.567 11.398 536 HH21 ARG 59 1HH2 ARG 59 24.558 -4.315 11.850 537 HH22 ARG 59 2HH2 ARG 59 24.382 -5.897 12.550 538 H GLU 60 H GLU 60 24.109 -4.021 3.316 539 HA GLU 60 HA GLU 60 25.749 -1.572 3.238 540 HB2 GLU 60 2HB GLU 60 26.862 -3.045 4.901 541 HB3 GLU 60 3HB GLU 60 26.948 -4.340 3.700 542 HG2 GLU 60 2HG GLU 60 28.412 -2.955 2.279 543 HG3 GLU 60 3HG GLU 60 28.233 -1.590 3.386 544 H GLU 61 H GLU 61 26.372 -1.099 1.184 545 HA GLU 61 HA GLU 61 25.615 -3.005 -0.966 546 HB2 GLU 61 2HB GLU 61 25.327 -1.129 -2.399 547 HB3 GLU 61 3HB GLU 61 24.328 -0.965 -0.967 548 HG2 GLU 61 2HG GLU 61 26.983 0.505 -1.329 549 HG3 GLU 61 3HG GLU 61 25.448 1.126 -1.884 550 H PHE 62 H PHE 62 26.944 -3.642 -2.528 551 HA PHE 62 HA PHE 62 29.604 -2.432 -2.940 552 HB2 PHE 62 2HB PHE 62 30.734 -4.634 -2.685 553 HB3 PHE 62 3HB PHE 62 30.090 -3.982 -1.201 554 HD1 PHE 62 1HD PHE 62 29.651 -6.647 -3.758 555 HD2 PHE 62 2HD PHE 62 28.340 -5.099 0.051 556 HE1 PHE 62 1HE PHE 62 28.488 -8.787 -3.285 557 HE2 PHE 62 2HE PHE 62 27.201 -7.248 0.533 558 HZ PHE 62 HZ PHE 62 27.277 -9.103 -1.136 559 H ILE 63 H ILE 63 27.036 -2.793 -4.476 560 HA ILE 63 HA ILE 63 28.107 -4.020 -6.954 561 HB ILE 63 HB ILE 63 26.116 -5.188 -7.438 562 HG12 ILE 63 2HG1 ILE 63 24.351 -3.856 -6.508 563 HG13 ILE 63 3HG1 ILE 63 24.217 -5.520 -5.990 564 HG21 ILE 63 1HG2 ILE 63 26.175 -7.003 -5.847 565 HG22 ILE 63 2HG2 ILE 63 27.807 -6.379 -6.135 566 HG23 ILE 63 3HG2 ILE 63 26.958 -5.978 -4.631 567 HD11 ILE 63 3HD1 ILE 63 23.608 -4.090 -4.162 568 HD12 ILE 63 1HD1 ILE 63 25.143 -4.863 -3.736 569 HD13 ILE 63 2HD1 ILE 63 25.104 -3.163 -4.280 570 H VAL 64 H VAL 64 26.880 -3.436 -8.887 571 HA VAL 64 HA VAL 64 25.379 -0.868 -8.743 572 HB VAL 64 HB VAL 64 26.511 -0.064 -10.771 573 HG11 VAL 64 1HG1 VAL 64 28.537 0.736 -9.707 574 HG12 VAL 64 2HG1 VAL 64 27.215 0.714 -8.529 575 HG13 VAL 64 3HG1 VAL 64 28.462 -0.552 -8.488 576 HG21 VAL 64 3HG2 VAL 64 28.549 -2.289 -10.315 577 HG22 VAL 64 1HG2 VAL 64 27.398 -2.205 -11.669 578 HG23 VAL 64 2HG2 VAL 64 28.655 -0.973 -11.500 579 H THR 65 H THR 65 23.988 -0.443 -10.532 580 HA THR 65 HA THR 65 22.474 -2.719 -11.347 581 HB THR 65 HB THR 65 22.319 0.098 -12.477 582 HG1 THR 65 1HG THR 65 20.868 0.461 -10.793 583 HG21 THR 65 1HG2 THR 65 19.896 -0.422 -12.689 584 HG22 THR 65 2HG2 THR 65 20.206 -2.085 -12.138 585 HG23 THR 65 3HG2 THR 65 20.876 -1.502 -13.681 586 H ASP 66 H ASP 66 22.340 -3.834 -13.192 587 HA ASP 66 HA ASP 66 22.984 -4.883 -15.087 588 HB2 ASP 66 2HB ASP 66 21.454 -3.160 -15.858 589 HB3 ASP 66 3HB ASP 66 22.791 -2.053 -16.139 Start of MODEL 9 1 H1 GLY -1 1H GLY -1 -6.854 -4.915 21.091 2 H2 GLY -1 2H GLY -1 -8.373 -5.286 21.578 3 H3 GLY -1 3H GLY -1 -8.043 -5.120 19.981 4 HA2 GLY -1 2HA GLY -1 -6.968 -7.238 21.736 5 HA3 GLY -1 3HA GLY -1 -8.263 -7.450 20.543 6 H SER 0 H SER 0 -5.036 -7.888 21.047 7 HA SER 0 HA SER 0 -4.273 -7.601 18.151 8 HB2 SER 0 2HB SER 0 -2.539 -7.146 20.594 9 HB3 SER 0 3HB SER 0 -2.044 -6.985 18.898 10 HG SER 0 HG SER 0 -2.611 -4.962 19.837 11 H GLN 1 H GLN 1 -4.407 -9.767 20.843 12 HA GLN 1 HA GLN 1 -2.142 -11.383 20.200 13 HB2 GLN 1 2HB GLN 1 -2.827 -12.784 21.981 14 HB3 GLN 1 3HB GLN 1 -3.007 -11.115 22.476 15 HG2 GLN 1 2HG GLN 1 -5.311 -12.931 21.609 16 HG3 GLN 1 3HG GLN 1 -4.793 -12.693 23.260 17 HE21 GLN 1 1HE2 GLN 1 -7.399 -12.231 22.827 18 HE22 GLN 1 2HE2 GLN 1 -7.714 -10.501 22.852 19 H ARG 2 H ARG 2 -1.909 -13.305 19.244 20 HA ARG 2 HA ARG 2 -2.111 -14.794 17.565 21 HB2 ARG 2 2HB ARG 2 -3.558 -16.629 18.025 22 HB3 ARG 2 3HB ARG 2 -2.868 -15.996 19.513 23 HG2 ARG 2 2HG ARG 2 -4.989 -14.944 20.125 24 HG3 ARG 2 3HG ARG 2 -5.694 -15.354 18.554 25 HD2 ARG 2 2HD ARG 2 -6.524 -16.886 20.206 26 HD3 ARG 2 3HD ARG 2 -5.488 -17.765 19.093 27 HE ARG 2 HE ARG 2 -4.845 -16.968 21.914 28 HH11 ARG 2 1HH1 ARG 2 -3.997 -19.022 19.197 29 HH12 ARG 2 2HH1 ARG 2 -2.863 -19.945 20.144 30 HH21 ARG 2 1HH2 ARG 2 -3.392 -18.188 23.048 31 HH22 ARG 2 2HH2 ARG 2 -2.538 -19.483 22.261 32 H ARG 3 H ARG 3 -3.295 -12.292 16.716 33 HA ARG 3 HA ARG 3 -5.536 -12.942 14.950 34 HB2 ARG 3 2HB ARG 3 -3.868 -10.438 15.372 35 HB3 ARG 3 3HB ARG 3 -5.121 -10.571 14.134 36 HG2 ARG 3 2HG ARG 3 -6.828 -11.086 15.826 37 HG3 ARG 3 3HG ARG 3 -5.609 -10.961 17.100 38 HD2 ARG 3 2HD ARG 3 -6.906 -8.923 16.981 39 HD3 ARG 3 3HD ARG 3 -5.215 -8.607 16.543 40 HE ARG 3 HE ARG 3 -6.424 -9.026 14.100 41 HH11 ARG 3 1HH1 ARG 3 -7.039 -6.714 16.680 42 HH12 ARG 3 2HH1 ARG 3 -7.695 -5.548 15.553 43 HH21 ARG 3 1HH2 ARG 3 -7.169 -7.557 12.786 44 HH22 ARG 3 2HH2 ARG 3 -7.787 -6.019 13.365 45 H GLN 4 H GLN 4 -4.092 -14.805 14.113 46 HA GLN 4 HA GLN 4 -2.148 -14.337 12.077 47 HB2 GLN 4 2HB GLN 4 -4.128 -16.625 12.439 48 HB3 GLN 4 3HB GLN 4 -2.776 -16.631 11.296 49 HG2 GLN 4 2HG GLN 4 -1.174 -16.338 13.171 50 HG3 GLN 4 3HG GLN 4 -2.505 -16.382 14.326 51 HE21 GLN 4 1HE2 GLN 4 -0.668 -18.195 14.897 52 HE22 GLN 4 2HE2 GLN 4 -1.151 -19.798 14.353 53 H ARG 5 H ARG 5 -5.680 -14.218 11.886 54 HA ARG 5 HA ARG 5 -5.902 -14.077 9.011 55 HB2 ARG 5 2HB ARG 5 -7.674 -14.751 10.663 56 HB3 ARG 5 3HB ARG 5 -7.818 -13.060 11.156 57 HG2 ARG 5 2HG ARG 5 -8.578 -12.444 8.892 58 HG3 ARG 5 3HG ARG 5 -8.292 -14.104 8.324 59 HD2 ARG 5 2HD ARG 5 -9.992 -14.935 9.921 60 HD3 ARG 5 3HD ARG 5 -10.270 -13.275 10.489 61 HE ARG 5 HE ARG 5 -10.624 -13.311 7.669 62 HH11 ARG 5 1HH1 ARG 5 -12.284 -14.591 10.477 63 HH12 ARG 5 2HH1 ARG 5 -13.832 -14.591 9.676 64 HH21 ARG 5 1HH2 ARG 5 -12.627 -13.338 6.707 65 HH22 ARG 5 2HH2 ARG 5 -14.013 -13.899 7.596 66 H THR 6 H THR 6 -4.910 -11.689 11.306 67 HA THR 6 HA THR 6 -5.519 -9.369 9.564 68 HB THR 6 HB THR 6 -4.141 -9.562 12.261 69 HG1 THR 6 1HG THR 6 -6.523 -10.026 11.822 70 HG21 THR 6 1HG2 THR 6 -4.726 -7.143 12.478 71 HG22 THR 6 2HG2 THR 6 -5.129 -7.116 10.744 72 HG23 THR 6 3HG2 THR 6 -3.465 -7.447 11.293 73 H HIS 7 H HIS 7 -2.989 -11.666 9.777 74 HA HIS 7 HA HIS 7 -0.721 -10.051 9.089 75 HB2 HIS 7 2HB HIS 7 -0.638 -12.381 9.970 76 HB3 HIS 7 3HB HIS 7 -1.278 -12.962 8.428 77 HD2 HIS 7 2HD HIS 7 0.760 -14.231 7.425 78 HE1 HIS 7 1HE HIS 7 3.713 -11.164 7.706 79 HE2 HIS 7 2HE HIS 7 3.221 -13.502 6.823 80 H PHE 8 H PHE 8 0.431 -10.092 7.011 81 HA PHE 8 HA PHE 8 -1.175 -8.966 4.901 82 HB2 PHE 8 2HB PHE 8 1.706 -9.950 4.923 83 HB3 PHE 8 3HB PHE 8 0.962 -9.064 3.609 84 HD1 PHE 8 1HD PHE 8 0.482 -6.666 3.758 85 HD2 PHE 8 2HD PHE 8 2.382 -8.790 6.998 86 HE1 PHE 8 1HE PHE 8 1.330 -4.521 4.677 87 HE2 PHE 8 2HE PHE 8 3.192 -6.640 7.931 88 HZ PHE 8 HZ PHE 8 2.707 -4.505 6.750 89 H THR 9 H THR 9 -1.697 -9.738 2.872 90 HA THR 9 HA THR 9 -1.145 -12.620 2.275 91 HB THR 9 HB THR 9 -3.545 -12.188 2.711 92 HG1 THR 9 1HG THR 9 -4.137 -13.397 0.910 93 HG21 THR 9 1HG2 THR 9 -3.834 -9.978 1.651 94 HG22 THR 9 2HG2 THR 9 -4.916 -11.181 0.945 95 HG23 THR 9 3HG2 THR 9 -3.464 -10.679 0.056 96 H SER 10 H SER 10 -1.002 -13.148 -0.022 97 HA SER 10 HA SER 10 1.268 -11.821 -1.020 98 HB2 SER 10 2HB SER 10 0.660 -14.183 -1.407 99 HB3 SER 10 3HB SER 10 -0.608 -13.666 -2.541 100 HG SER 10 HG SER 10 1.524 -14.252 -3.447 101 H GLN 11 H GLN 11 -2.138 -11.383 -2.083 102 HA GLN 11 HA GLN 11 -1.531 -9.739 -4.343 103 HB2 GLN 11 2HB GLN 11 -4.033 -9.893 -2.596 104 HB3 GLN 11 3HB GLN 11 -3.897 -8.965 -4.085 105 HG2 GLN 11 2HG GLN 11 -4.918 -10.932 -4.786 106 HG3 GLN 11 3HG GLN 11 -3.244 -11.108 -5.290 107 HE21 GLN 11 1HE2 GLN 11 -4.186 -13.455 -5.419 108 HE22 GLN 11 2HE2 GLN 11 -4.006 -14.408 -3.952 109 H GLN 12 H GLN 12 -1.877 -8.881 -0.899 110 HA GLN 12 HA GLN 12 -1.838 -5.991 -1.317 111 HB2 GLN 12 2HB GLN 12 -1.083 -7.654 1.121 112 HB3 GLN 12 3HB GLN 12 -1.308 -5.909 1.098 113 HG2 GLN 12 2HG GLN 12 -3.674 -6.140 0.595 114 HG3 GLN 12 3HG GLN 12 -3.531 -7.884 0.420 115 HE21 GLN 12 1HE2 GLN 12 -4.904 -5.870 2.484 116 HE22 GLN 12 2HE2 GLN 12 -4.541 -6.708 3.994 117 H LEU 13 H LEU 13 0.597 -8.475 -0.493 118 HA LEU 13 HA LEU 13 2.857 -6.712 -0.374 119 HB2 LEU 13 2HB LEU 13 2.634 -9.702 -0.929 120 HB3 LEU 13 3HB LEU 13 4.148 -8.864 -0.600 121 HG LEU 13 HG LEU 13 1.805 -8.988 1.355 122 HD11 LEU 13 1HD1 LEU 13 4.409 -10.561 1.318 123 HD12 LEU 13 2HD1 LEU 13 2.788 -11.209 0.979 124 HD13 LEU 13 3HD1 LEU 13 3.173 -10.603 2.596 125 HD21 LEU 13 3HD2 LEU 13 3.228 -7.029 1.776 126 HD22 LEU 13 1HD2 LEU 13 4.683 -8.054 1.718 127 HD23 LEU 13 2HD2 LEU 13 3.493 -8.249 3.021 128 H GLN 14 H GLN 14 1.447 -8.526 -3.125 129 HA GLN 14 HA GLN 14 3.480 -7.691 -5.004 130 HB2 GLN 14 2HB GLN 14 0.686 -8.846 -5.302 131 HB3 GLN 14 3HB GLN 14 1.674 -8.369 -6.693 132 HG2 GLN 14 2HG GLN 14 3.492 -9.848 -5.976 133 HG3 GLN 14 3HG GLN 14 2.578 -10.335 -4.553 134 HE21 GLN 14 1HE2 GLN 14 1.302 -12.218 -4.798 135 HE22 GLN 14 2HE2 GLN 14 0.812 -12.839 -6.370 136 H GLU 15 H GLU 15 0.277 -6.244 -4.136 137 HA GLU 15 HA GLU 15 0.445 -4.148 -6.094 138 HB2 GLU 15 2HB GLU 15 -1.587 -4.858 -4.740 139 HB3 GLU 15 3HB GLU 15 -0.866 -4.043 -3.353 140 HG2 GLU 15 2HG GLU 15 -2.475 -2.561 -4.308 141 HG3 GLU 15 3HG GLU 15 -0.897 -1.889 -4.685 142 H LEU 16 H LEU 16 1.815 -4.487 -2.835 143 HA LEU 16 HA LEU 16 2.848 -1.771 -2.652 144 HB2 LEU 16 2HB LEU 16 3.373 -4.358 -1.161 145 HB3 LEU 16 3HB LEU 16 4.281 -2.895 -0.819 146 HG LEU 16 HG LEU 16 1.244 -2.898 -0.719 147 HD11 LEU 16 1HD1 LEU 16 1.441 -3.200 1.721 148 HD12 LEU 16 2HD1 LEU 16 3.188 -3.465 1.554 149 HD13 LEU 16 3HD1 LEU 16 2.039 -4.621 0.850 150 HD21 LEU 16 3HD2 LEU 16 3.351 -1.155 0.639 151 HD22 LEU 16 1HD2 LEU 16 1.587 -0.972 0.753 152 HD23 LEU 16 2HD2 LEU 16 2.409 -0.688 -0.788 153 H GLU 17 H GLU 17 4.359 -4.908 -3.549 154 HA GLU 17 HA GLU 17 6.911 -3.823 -4.243 155 HB2 GLU 17 2HB GLU 17 6.380 -6.207 -3.754 156 HB3 GLU 17 3HB GLU 17 5.526 -6.321 -5.301 157 HG2 GLU 17 2HG GLU 17 7.628 -5.829 -6.500 158 HG3 GLU 17 3HG GLU 17 8.473 -5.602 -4.967 159 H ALA 18 H ALA 18 3.936 -4.181 -6.205 160 HA ALA 18 HA ALA 18 5.146 -3.363 -8.685 161 HB1 ALA 18 1HB ALA 18 2.816 -3.200 -9.462 162 HB2 ALA 18 2HB ALA 18 3.110 -4.715 -8.591 163 HB3 ALA 18 3HB ALA 18 2.236 -3.387 -7.793 164 H THR 19 H THR 19 3.198 -1.492 -6.232 165 HA THR 19 HA THR 19 3.390 0.934 -7.759 166 HB THR 19 HB THR 19 1.703 0.437 -5.955 167 HG1 THR 19 1HG THR 19 3.061 2.921 -5.830 168 HG21 THR 19 1HG2 THR 19 3.253 -0.105 -4.091 169 HG22 THR 19 2HG2 THR 19 2.121 1.193 -3.709 170 HG23 THR 19 3HG2 THR 19 3.815 1.580 -4.088 171 H PHE 20 H PHE 20 5.548 -0.434 -5.260 172 HA PHE 20 HA PHE 20 7.269 1.790 -4.949 173 HB2 PHE 20 2HB PHE 20 7.305 -0.193 -3.511 174 HB3 PHE 20 3HB PHE 20 7.831 -1.200 -4.852 175 HD1 PHE 20 1HD PHE 20 8.867 1.833 -2.866 176 HD2 PHE 20 2HD PHE 20 10.149 -1.553 -5.214 177 HE1 PHE 20 1HE PHE 20 11.228 2.354 -2.331 178 HE2 PHE 20 2HE PHE 20 12.515 -1.021 -4.678 179 HZ PHE 20 HZ PHE 20 13.060 0.940 -3.248 180 H GLN 21 H GLN 21 7.242 -0.660 -7.549 181 HA GLN 21 HA GLN 21 9.678 0.527 -8.733 182 HB2 GLN 21 2HB GLN 21 9.887 -1.429 -10.036 183 HB3 GLN 21 3HB GLN 21 9.543 -1.894 -8.371 184 HG2 GLN 21 2HG GLN 21 7.128 -2.230 -9.037 185 HG3 GLN 21 3HG GLN 21 7.571 -1.909 -10.705 186 HE21 GLN 21 1HE2 GLN 21 7.849 -4.174 -8.019 187 HE22 GLN 21 2HE2 GLN 21 8.481 -5.514 -8.988 188 H ARG 22 H ARG 22 6.424 1.183 -9.112 189 HA ARG 22 HA ARG 22 6.884 2.260 -11.892 190 HB2 ARG 22 2HB ARG 22 4.292 1.229 -10.668 191 HB3 ARG 22 3HB ARG 22 4.441 1.971 -12.259 192 HG2 ARG 22 2HG ARG 22 5.762 -0.637 -11.401 193 HG3 ARG 22 3HG ARG 22 4.311 -0.488 -12.382 194 HD2 ARG 22 2HD ARG 22 5.541 0.585 -14.183 195 HD3 ARG 22 3HD ARG 22 7.016 0.648 -13.227 196 HE ARG 22 HE ARG 22 5.766 -1.777 -14.413 197 HH11 ARG 22 1HH1 ARG 22 8.551 -0.474 -12.673 198 HH12 ARG 22 2HH1 ARG 22 9.501 -1.899 -13.018 199 HH21 ARG 22 1HH2 ARG 22 7.047 -3.551 -14.736 200 HH22 ARG 22 2HH2 ARG 22 8.657 -3.594 -14.084 201 H ASN 23 H ASN 23 5.798 3.082 -8.688 202 HA ASN 23 HA ASN 23 5.839 5.948 -9.519 203 HB2 ASN 23 2HB ASN 23 3.501 5.091 -9.053 204 HB3 ASN 23 3HB ASN 23 4.003 4.744 -7.399 205 HD21 ASN 23 1HD2 ASN 23 5.060 6.731 -6.265 206 HD22 ASN 23 2HD2 ASN 23 4.256 8.283 -6.568 207 H ARG 24 H ARG 24 8.137 5.477 -9.101 208 HA ARG 24 HA ARG 24 9.287 4.295 -6.897 209 HB2 ARG 24 2HB ARG 24 10.449 6.710 -8.344 210 HB3 ARG 24 3HB ARG 24 11.339 5.482 -7.453 211 HG2 ARG 24 2HG ARG 24 9.875 5.112 -10.098 212 HG3 ARG 24 3HG ARG 24 11.614 5.153 -9.829 213 HD2 ARG 24 2HD ARG 24 11.396 3.070 -8.411 214 HD3 ARG 24 3HD ARG 24 9.680 3.040 -8.818 215 HE ARG 24 HE ARG 24 10.140 2.242 -10.933 216 HH11 ARG 24 1HH1 ARG 24 13.221 3.211 -9.554 217 HH12 ARG 24 2HH1 ARG 24 14.121 2.444 -10.833 218 HH21 ARG 24 1HH2 ARG 24 11.335 1.324 -12.513 219 HH22 ARG 24 2HH2 ARG 24 13.073 1.402 -12.468 220 H TYR 25 H TYR 25 9.535 4.658 -4.855 221 HA TYR 25 HA TYR 25 9.301 5.553 -2.774 222 HB2 TYR 25 2HB TYR 25 10.787 7.872 -4.020 223 HB3 TYR 25 3HB TYR 25 10.780 7.391 -2.326 224 HD1 TYR 25 1HD TYR 25 11.691 5.041 -1.722 225 HD2 TYR 25 2HD TYR 25 12.301 6.889 -5.575 226 HE1 TYR 25 1HE TYR 25 13.565 3.457 -2.195 227 HE2 TYR 25 2HE TYR 25 14.190 5.329 -6.025 228 HH TYR 25 HH TYR 25 15.444 3.578 -5.237 229 HA PRO 26 HA PRO 26 5.553 7.962 -4.163 230 HB2 PRO 26 2HB PRO 26 3.675 6.689 -2.584 231 HB3 PRO 26 3HB PRO 26 4.224 6.105 -4.183 232 HG2 PRO 26 2HG PRO 26 5.198 5.254 -1.444 233 HG3 PRO 26 3HG PRO 26 4.736 4.222 -2.839 234 HD2 PRO 26 2HD PRO 26 7.317 4.804 -2.300 235 HD3 PRO 26 3HD PRO 26 6.736 4.738 -3.988 236 H ASP 27 H ASP 27 4.416 9.647 -3.280 237 HA ASP 27 HA ASP 27 5.218 10.812 -0.753 238 HB2 ASP 27 2HB ASP 27 4.499 12.148 -2.715 239 HB3 ASP 27 3HB ASP 27 2.891 11.424 -2.627 240 H MET 28 H MET 28 3.921 11.061 1.126 241 HA MET 28 HA MET 28 2.603 8.805 2.112 242 HB2 MET 28 2HB MET 28 2.570 11.724 2.969 243 HB3 MET 28 3HB MET 28 1.773 10.450 3.886 244 HG2 MET 28 2HG MET 28 3.947 10.884 4.835 245 HG3 MET 28 3HG MET 28 3.848 9.248 4.200 246 HE1 MET 28 3HE MET 28 5.403 12.849 3.715 247 HE2 MET 28 1HE MET 28 6.388 12.623 2.253 248 HE3 MET 28 2HE MET 28 4.620 12.607 2.136 249 H SER 29 H SER 29 1.167 11.492 0.295 250 HA SER 29 HA SER 29 -1.608 10.881 0.812 251 HB2 SER 29 2HB SER 29 -0.497 12.015 -1.780 252 HB3 SER 29 3HB SER 29 -2.101 12.251 -1.074 253 HG SER 29 HG SER 29 0.411 13.285 -0.283 254 H THR 30 H THR 30 0.698 9.784 -1.704 255 HA THR 30 HA THR 30 -1.153 8.035 -3.081 256 HB THR 30 HB THR 30 1.888 7.996 -3.064 257 HG1 THR 30 1HG THR 30 1.618 9.258 -4.955 258 HG21 THR 30 1HG2 THR 30 0.953 5.962 -4.089 259 HG22 THR 30 2HG2 THR 30 1.624 7.017 -5.335 260 HG23 THR 30 3HG2 THR 30 -0.137 6.947 -5.089 261 H ARG 31 H ARG 31 1.353 7.524 -0.548 262 HA ARG 31 HA ARG 31 1.011 4.712 -0.212 263 HB2 ARG 31 2HB ARG 31 1.612 6.777 1.951 264 HB3 ARG 31 3HB ARG 31 1.809 5.035 2.110 265 HG2 ARG 31 2HG ARG 31 3.493 5.038 0.283 266 HG3 ARG 31 3HG ARG 31 3.312 6.782 0.129 267 HD2 ARG 31 2HD ARG 31 3.918 6.880 2.661 268 HD3 ARG 31 3HD ARG 31 4.491 5.214 2.430 269 HE ARG 31 HE ARG 31 5.466 7.170 0.454 270 HH11 ARG 31 1HH2 ARG 31 6.317 5.805 3.570 271 HH12 ARG 31 2HH2 ARG 31 7.972 6.329 3.413 272 HH21 ARG 31 1HH1 ARG 31 7.439 7.804 0.334 273 HH22 ARG 31 2HH1 ARG 31 8.619 7.449 1.583 274 H GLU 32 H GLU 32 -0.912 7.368 1.253 275 HA GLU 32 HA GLU 32 -2.610 5.593 2.747 276 HB2 GLU 32 2HB GLU 32 -2.310 8.005 3.242 277 HB3 GLU 32 3HB GLU 32 -3.155 8.419 1.744 278 HG2 GLU 32 2HG GLU 32 -5.206 7.296 2.600 279 HG3 GLU 32 3HG GLU 32 -4.345 6.856 4.076 280 H GLU 33 H GLU 33 -3.009 6.971 -0.581 281 HA GLU 33 HA GLU 33 -5.591 5.747 -1.024 282 HB2 GLU 33 2HB GLU 33 -3.401 6.630 -2.951 283 HB3 GLU 33 3HB GLU 33 -4.949 5.953 -3.469 284 HG2 GLU 33 2HG GLU 33 -6.153 7.737 -2.221 285 HG3 GLU 33 3HG GLU 33 -4.611 8.473 -1.793 286 H ILE 34 H ILE 34 -2.253 4.460 -1.758 287 HA ILE 34 HA ILE 34 -3.416 1.982 -2.690 288 HB ILE 34 HB ILE 34 -1.255 1.045 -2.817 289 HG12 ILE 34 2HG1 ILE 34 0.783 2.543 -2.324 290 HG13 ILE 34 3HG1 ILE 34 -0.274 3.403 -1.217 291 HG21 ILE 34 1HG2 ILE 34 -0.277 2.551 -4.425 292 HG22 ILE 34 2HG2 ILE 34 -2.038 2.676 -4.537 293 HG23 ILE 34 3HG2 ILE 34 -1.104 3.944 -3.714 294 HD11 ILE 34 3HD1 ILE 34 1.234 1.562 -0.270 295 HD12 ILE 34 1HD1 ILE 34 -0.458 1.478 0.215 296 HD13 ILE 34 2HD1 ILE 34 0.160 0.394 -1.055 297 H ALA 35 H ALA 35 -2.619 3.087 0.560 298 HA ALA 35 HA ALA 35 -2.898 0.533 1.845 299 HB1 ALA 35 1HB ALA 35 -3.194 1.798 3.878 300 HB2 ALA 35 2HB ALA 35 -1.938 2.588 2.919 301 HB3 ALA 35 3HB ALA 35 -3.570 3.277 2.984 302 H VAL 36 H VAL 36 -5.319 3.095 1.091 303 HA VAL 36 HA VAL 36 -7.656 1.702 1.960 304 HB VAL 36 HB VAL 36 -7.196 3.804 -0.186 305 HG11 VAL 36 1HG1 VAL 36 -9.885 2.789 0.801 306 HG12 VAL 36 2HG1 VAL 36 -9.600 4.232 -0.205 307 HG13 VAL 36 3HG1 VAL 36 -9.246 2.635 -0.852 308 HG21 VAL 36 3HG2 VAL 36 -8.226 5.301 1.421 309 HG22 VAL 36 1HG2 VAL 36 -8.526 3.954 2.545 310 HG23 VAL 36 2HG2 VAL 36 -6.867 4.478 2.194 311 H TRP 37 H TRP 37 -6.019 1.650 -1.256 312 HA TRP 37 HA TRP 37 -7.895 -0.142 -2.458 313 HB2 TRP 37 2HB TRP 37 -4.998 0.375 -3.154 314 HB3 TRP 37 3HB TRP 37 -6.176 -0.393 -4.205 315 HD1 TRP 37 1HD TRP 37 -8.097 2.314 -2.873 316 HE1 TRP 37 1HE TRP 37 -7.990 4.451 -4.289 317 HE3 TRP 37 3HE TRP 37 -4.000 1.177 -5.717 318 HZ2 TRP 37 2HZ TRP 37 -6.278 5.569 -6.325 319 HZ3 TRP 37 3HZ TRP 37 -3.125 2.818 -7.367 320 HH2 TRP 37 2HH TRP 37 -4.249 5.012 -7.676 321 H THR 38 H THR 38 -4.945 -0.837 -0.601 322 HA THR 38 HA THR 38 -5.225 -3.763 -0.996 323 HB THR 38 HB THR 38 -3.250 -3.903 0.524 324 HG1 THR 38 1HG THR 38 -3.076 -1.117 0.177 325 HG21 THR 38 1HG2 THR 38 -2.857 -2.065 -1.868 326 HG22 THR 38 2HG2 THR 38 -2.932 -3.837 -1.911 327 HG23 THR 38 3HG2 THR 38 -1.609 -3.030 -1.048 328 H ASN 39 H ASN 39 -6.773 -1.586 0.960 329 HA ASN 39 HA ASN 39 -7.816 -1.537 2.905 330 HB2 ASN 39 2HB ASN 39 -8.025 -4.561 2.599 331 HB3 ASN 39 3HB ASN 39 -8.954 -3.588 3.730 332 HD21 ASN 39 1HD2 ASN 39 -8.608 -4.459 0.332 333 HD22 ASN 39 2HD2 ASN 39 -10.095 -3.671 -0.172 334 H LEU 40 H LEU 40 -5.049 -1.464 3.040 335 HA LEU 40 HA LEU 40 -4.364 -2.590 5.721 336 HB2 LEU 40 2HB LEU 40 -2.682 -1.261 3.559 337 HB3 LEU 40 3HB LEU 40 -2.066 -1.734 5.136 338 HG LEU 40 HG LEU 40 -3.166 -3.669 3.046 339 HD11 LEU 40 1HD1 LEU 40 -1.035 -2.663 2.379 340 HD12 LEU 40 2HD1 LEU 40 -0.784 -4.347 2.860 341 HD13 LEU 40 3HD1 LEU 40 -0.331 -3.030 3.966 342 HD21 LEU 40 3HD2 LEU 40 -1.834 -4.124 5.748 343 HD22 LEU 40 1HD2 LEU 40 -2.120 -5.391 4.537 344 HD23 LEU 40 2HD2 LEU 40 -3.495 -4.577 5.288 345 H THR 41 H THR 41 -3.116 -1.053 7.112 346 HA THR 41 HA THR 41 -4.442 1.614 7.299 347 HB THR 41 HB THR 41 -2.569 0.211 9.242 348 HG1 THR 41 1HG THR 41 -4.657 -0.731 9.003 349 HG21 THR 41 1HG2 THR 41 -4.240 2.750 9.540 350 HG22 THR 41 2HG2 THR 41 -2.465 2.633 9.604 351 HG23 THR 41 3HG2 THR 41 -3.439 1.891 10.874 352 H GLU 42 H GLU 42 -3.303 3.547 6.992 353 HA GLU 42 HA GLU 42 -1.108 3.435 5.216 354 HB2 GLU 42 2HB GLU 42 -1.069 5.828 5.295 355 HB3 GLU 42 3HB GLU 42 -2.711 5.214 5.220 356 HG2 GLU 42 2HG GLU 42 -3.051 6.841 6.762 357 HG3 GLU 42 3HG GLU 42 -2.639 5.548 7.875 358 H ALA 43 H ALA 43 -1.005 3.703 8.744 359 HA ALA 43 HA ALA 43 1.804 4.290 8.882 360 HB1 ALA 43 1HB ALA 43 0.232 4.741 10.727 361 HB2 ALA 43 2HB ALA 43 -0.060 2.997 10.926 362 HB3 ALA 43 3HB ALA 43 1.546 3.677 11.261 363 H ARG 44 H ARG 44 -0.013 1.229 8.819 364 HA ARG 44 HA ARG 44 2.253 -0.559 9.153 365 HB2 ARG 44 2HB ARG 44 -0.046 -1.221 9.616 366 HB3 ARG 44 3HB ARG 44 -0.524 -0.916 7.945 367 HG2 ARG 44 2HG ARG 44 0.839 -2.762 7.140 368 HG3 ARG 44 3HG ARG 44 1.494 -3.041 8.774 369 HD2 ARG 44 2HD ARG 44 -0.713 -3.603 9.622 370 HD3 ARG 44 3HD ARG 44 -1.474 -3.146 8.086 371 HE ARG 44 HE ARG 44 0.400 -5.148 7.466 372 HH11 ARG 44 2HH2 ARG 44 -2.552 -4.996 9.393 373 HH12 ARG 44 1HH2 ARG 44 -2.890 -6.692 9.078 374 HH21 ARG 44 1HH1 ARG 44 -0.209 -7.260 7.104 375 HH22 ARG 44 2HH1 ARG 44 -1.686 -7.855 7.863 376 H VAL 45 H VAL 45 0.668 0.891 6.327 377 HA VAL 45 HA VAL 45 2.431 -0.255 4.340 378 HB VAL 45 HB VAL 45 0.595 2.153 4.389 379 HG11 VAL 45 1HG1 VAL 45 0.879 2.358 1.974 380 HG12 VAL 45 2HG1 VAL 45 2.371 2.749 2.811 381 HG13 VAL 45 3HG1 VAL 45 2.203 1.161 2.016 382 HG21 VAL 45 3HG2 VAL 45 -0.490 -0.035 4.348 383 HG22 VAL 45 1HG2 VAL 45 -0.647 0.704 2.748 384 HG23 VAL 45 2HG2 VAL 45 0.549 -0.569 3.009 385 H ARG 46 H ARG 46 2.646 2.875 6.159 386 HA ARG 46 HA ARG 46 5.106 3.719 4.995 387 HB2 ARG 46 2HB ARG 46 3.549 5.080 6.375 388 HB3 ARG 46 3HB ARG 46 4.064 4.204 7.820 389 HG2 ARG 46 2HG ARG 46 6.380 5.038 7.504 390 HG3 ARG 46 3HG ARG 46 5.874 5.907 6.047 391 HD2 ARG 46 2HD ARG 46 4.802 6.381 8.865 392 HD3 ARG 46 3HD ARG 46 6.031 7.355 8.069 393 HE ARG 46 HE ARG 46 4.428 8.175 6.490 394 HH11 ARG 46 1HH2 ARG 46 2.857 6.429 9.106 395 HH12 ARG 46 2HH2 ARG 46 1.259 6.951 8.593 396 HH21 ARG 46 1HH1 ARG 46 2.367 8.905 6.029 397 HH22 ARG 46 2HH1 ARG 46 1.010 8.291 6.942 398 H VAL 47 H VAL 47 4.569 1.582 7.808 399 HA VAL 47 HA VAL 47 7.352 1.051 8.327 400 HB VAL 47 HB VAL 47 4.825 -0.506 8.956 401 HG11 VAL 47 1HG1 VAL 47 6.199 -1.810 10.573 402 HG12 VAL 47 2HG1 VAL 47 6.616 -2.176 8.901 403 HG13 VAL 47 3HG1 VAL 47 7.673 -1.112 9.866 404 HG21 VAL 47 3HG2 VAL 47 5.201 1.680 10.141 405 HG22 VAL 47 1HG2 VAL 47 5.254 0.294 11.234 406 HG23 VAL 47 2HG2 VAL 47 6.763 1.073 10.713 407 H TRP 48 H TRP 48 5.057 -0.550 6.033 408 HA TRP 48 HA TRP 48 6.951 -2.517 5.160 409 HB2 TRP 48 2HB TRP 48 4.522 -2.591 4.651 410 HB3 TRP 48 3HB TRP 48 4.729 -1.256 3.521 411 HD1 TRP 48 1HD TRP 48 5.231 -4.968 3.877 412 HE1 TRP 48 1HE TRP 48 6.063 -6.001 1.682 413 HE3 TRP 48 3HE TRP 48 6.125 -0.663 1.222 414 HZ2 TRP 48 2HZ TRP 48 7.093 -5.089 -0.853 415 HZ3 TRP 48 3HZ TRP 48 7.065 -0.787 -1.067 416 HH2 TRP 48 2HH TRP 48 7.568 -2.978 -2.109 417 H PHE 49 H PHE 49 6.324 0.812 3.862 418 HA PHE 49 HA PHE 49 8.418 0.657 1.912 419 HB2 PHE 49 2HB PHE 49 6.996 2.989 3.210 420 HB3 PHE 49 3HB PHE 49 8.308 3.224 2.062 421 HD1 PHE 49 1HD PHE 49 8.153 1.960 -0.233 422 HD2 PHE 49 2HD PHE 49 4.782 2.784 2.321 423 HE1 PHE 49 1HE PHE 49 6.608 1.662 -2.161 424 HE2 PHE 49 2HE PHE 49 3.255 2.500 0.383 425 HZ PHE 49 HZ PHE 49 4.158 1.903 -1.841 426 H LYS 50 H LYS 50 8.571 1.639 5.346 427 HA LYS 50 HA LYS 50 11.346 2.389 5.355 428 HB2 LYS 50 2HB LYS 50 9.692 2.853 7.164 429 HB3 LYS 50 3HB LYS 50 9.691 1.136 7.591 430 HG2 LYS 50 2HG LYS 50 12.108 1.264 8.139 431 HG3 LYS 50 3HG LYS 50 12.122 2.975 7.662 432 HD2 LYS 50 2HD LYS 50 10.488 3.490 9.471 433 HD3 LYS 50 3HD LYS 50 10.412 1.774 9.889 434 HE2 LYS 50 2HE LYS 50 11.840 2.809 11.489 435 HE3 LYS 50 3HE LYS 50 12.851 1.809 10.444 436 HZ1 LYS 50 3HZ LYS 50 13.831 4.003 10.843 437 HZ2 LYS 50 1HZ LYS 50 12.538 4.761 10.203 438 HZ3 LYS 50 2HZ LYS 50 13.507 3.842 9.256 439 H ASN 51 H ASN 51 9.809 -0.813 5.822 440 HA ASN 51 HA ASN 51 12.316 -2.250 6.101 441 HB2 ASN 51 2HB ASN 51 9.446 -3.066 5.534 442 HB3 ASN 51 3HB ASN 51 10.762 -4.227 5.406 443 HD21 ASN 51 1HD2 ASN 51 9.092 -2.069 7.710 444 HD22 ASN 51 2HD2 ASN 51 9.684 -2.939 9.126 445 H ARG 52 H ARG 52 10.321 -1.443 3.235 446 HA ARG 52 HA ARG 52 11.914 -2.842 1.324 447 HB2 ARG 52 2HB ARG 52 9.623 -2.008 0.955 448 HB3 ARG 52 3HB ARG 52 10.196 -0.349 1.037 449 HG2 ARG 52 2HG ARG 52 9.722 -1.020 -1.230 450 HG3 ARG 52 3HG ARG 52 11.415 -0.588 -1.044 451 HD2 ARG 52 2HD ARG 52 10.507 -3.491 -0.934 452 HD3 ARG 52 3HD ARG 52 10.759 -2.654 -2.475 453 HE ARG 52 HE ARG 52 13.023 -2.289 -0.732 454 HH11 ARG 52 1HH1 ARG 52 11.777 -4.719 -3.008 455 HH12 ARG 52 2HH1 ARG 52 13.436 -5.256 -3.309 456 HH21 ARG 52 1HH2 ARG 52 14.971 -3.118 -1.257 457 HH22 ARG 52 2HH2 ARG 52 15.040 -4.466 -2.408 458 H ARG 53 H ARG 53 12.274 0.508 2.577 459 HA ARG 53 HA ARG 53 14.710 1.070 1.104 460 HB2 ARG 53 2HB ARG 53 13.267 2.275 3.458 461 HB3 ARG 53 3HB ARG 53 14.967 2.671 3.278 462 HG2 ARG 53 2HG ARG 53 12.916 3.083 1.064 463 HG3 ARG 53 3HG ARG 53 13.416 4.313 2.234 464 HD2 ARG 53 2HD ARG 53 15.816 3.957 1.463 465 HD3 ARG 53 3HD ARG 53 15.172 2.967 0.140 466 HE ARG 53 HE ARG 53 13.845 5.517 0.223 467 HH11 ARG 53 1HH1 ARG 53 16.949 4.176 -0.749 468 HH12 ARG 53 2HH1 ARG 53 17.217 5.439 -1.907 469 HH21 ARG 53 1HH2 ARG 53 14.279 7.092 -1.286 470 HH22 ARG 53 2HH2 ARG 53 15.768 7.054 -2.178 471 H ALA 54 H ALA 54 14.220 -0.468 4.305 472 HA ALA 54 HA ALA 54 17.012 -0.716 4.881 473 HB1 ALA 54 1HB ALA 54 14.722 -2.532 5.750 474 HB2 ALA 54 2HB ALA 54 16.323 -2.405 6.501 475 HB3 ALA 54 3HB ALA 54 15.213 -1.022 6.550 476 H LYS 55 H LYS 55 14.793 -3.078 3.283 477 HA LYS 55 HA LYS 55 16.788 -5.014 2.602 478 HB2 LYS 55 2HB LYS 55 14.094 -4.316 1.359 479 HB3 LYS 55 3HB LYS 55 15.075 -5.690 0.829 480 HG2 LYS 55 2HG LYS 55 14.995 -6.703 3.043 481 HG3 LYS 55 3HG LYS 55 14.120 -5.313 3.701 482 HD2 LYS 55 2HD LYS 55 12.230 -5.764 2.146 483 HD3 LYS 55 3HD LYS 55 13.101 -7.180 1.513 484 HE2 LYS 55 2HE LYS 55 13.127 -8.166 3.805 485 HE3 LYS 55 3HE LYS 55 12.244 -6.762 4.416 486 HZ1 LYS 55 3HZ LYS 55 10.395 -7.368 2.938 487 HZ2 LYS 55 1HZ LYS 55 10.744 -8.610 3.937 488 HZ3 LYS 55 2HZ LYS 55 11.215 -8.668 2.376 489 H TRP 56 H TRP 56 15.768 -2.102 0.833 490 HA TRP 56 HA TRP 56 17.192 -2.515 -1.605 491 HB2 TRP 56 2HB TRP 56 15.604 -0.748 -1.438 492 HB3 TRP 56 3HB TRP 56 16.388 -0.065 -0.030 493 HD1 TRP 56 1HD TRP 56 17.028 -0.448 -3.794 494 HE1 TRP 56 1HE TRP 56 18.444 1.536 -4.608 495 HE3 TRP 56 3HE TRP 56 17.984 1.759 0.726 496 HZ2 TRP 56 2HZ TRP 56 19.849 3.775 -3.435 497 HZ3 TRP 56 3HZ TRP 56 19.405 3.794 0.854 498 HH2 TRP 56 2HH TRP 56 20.340 4.807 -1.213 499 H ARG 57 H ARG 57 18.402 -1.269 1.514 500 HA ARG 57 HA ARG 57 21.130 -1.001 0.398 501 HB2 ARG 57 2HB ARG 57 20.045 0.727 1.871 502 HB3 ARG 57 3HB ARG 57 20.182 -0.409 3.223 503 HG2 ARG 57 2HG ARG 57 22.646 -0.427 2.964 504 HG3 ARG 57 3HG ARG 57 22.512 0.591 1.518 505 HD2 ARG 57 2HD ARG 57 21.512 2.397 2.892 506 HD3 ARG 57 3HD ARG 57 21.718 1.388 4.341 507 HE ARG 57 HE ARG 57 24.224 1.592 2.986 508 HH11 ARG 57 1HH2 ARG 57 22.120 3.689 4.845 509 HH12 ARG 57 2HH2 ARG 57 23.438 4.706 5.360 510 HH21 ARG 57 1HH1 ARG 57 25.858 2.923 3.688 511 HH22 ARG 57 2HH1 ARG 57 25.497 4.278 4.715 512 H LYS 58 H LYS 58 19.479 -3.131 2.697 513 HA LYS 58 HA LYS 58 22.034 -4.442 3.433 514 HB2 LYS 58 2HB LYS 58 19.215 -4.756 4.535 515 HB3 LYS 58 3HB LYS 58 20.659 -5.500 5.206 516 HG2 LYS 58 2HG LYS 58 20.152 -2.493 5.053 517 HG3 LYS 58 3HG LYS 58 19.949 -3.520 6.472 518 HD2 LYS 58 2HD LYS 58 22.389 -4.095 6.376 519 HD3 LYS 58 3HD LYS 58 22.578 -2.945 5.031 520 HE2 LYS 58 2HE LYS 58 21.754 -1.110 6.464 521 HE3 LYS 58 3HE LYS 58 21.506 -2.242 7.798 522 HZ1 LYS 58 3HZ LYS 58 23.621 -1.070 8.019 523 HZ2 LYS 58 1HZ LYS 58 24.145 -1.621 6.574 524 HZ3 LYS 58 2HZ LYS 58 23.905 -2.662 7.811 525 H ARG 59 H ARG 59 19.354 -5.259 1.391 526 HA ARG 59 HA ARG 59 20.307 -8.109 1.214 527 HB2 ARG 59 2HB ARG 59 18.094 -7.814 2.275 528 HB3 ARG 59 3HB ARG 59 17.492 -7.014 0.819 529 HG2 ARG 59 2HG ARG 59 17.810 -9.044 -0.500 530 HG3 ARG 59 3HG ARG 59 18.571 -9.867 0.871 531 HD2 ARG 59 2HD ARG 59 15.711 -8.805 0.862 532 HD3 ARG 59 3HD ARG 59 16.136 -10.458 0.446 533 HE ARG 59 HE ARG 59 16.116 -9.239 3.127 534 HH11 ARG 59 1HH1 ARG 59 17.202 -12.039 1.314 535 HH12 ARG 59 2HH1 ARG 59 17.378 -13.008 2.751 536 HH21 ARG 59 1HH2 ARG 59 16.370 -10.533 4.912 537 HH22 ARG 59 2HH2 ARG 59 16.918 -12.172 4.725 538 H GLU 60 H GLU 60 19.217 -5.311 -0.640 539 HA GLU 60 HA GLU 60 20.256 -6.570 -3.157 540 HB2 GLU 60 2HB GLU 60 18.084 -4.477 -2.767 541 HB3 GLU 60 3HB GLU 60 18.735 -4.996 -4.329 542 HG2 GLU 60 2HG GLU 60 18.078 -7.365 -3.766 543 HG3 GLU 60 3HG GLU 60 17.264 -6.754 -2.324 544 H GLU 61 H GLU 61 20.702 -4.553 -4.790 545 HA GLU 61 HA GLU 61 23.075 -3.247 -3.608 546 HB2 GLU 61 2HB GLU 61 23.262 -4.601 -5.656 547 HB3 GLU 61 3HB GLU 61 22.167 -3.495 -6.496 548 HG2 GLU 61 2HG GLU 61 23.776 -1.660 -6.231 549 HG3 GLU 61 3HG GLU 61 24.827 -2.678 -5.246 550 H PHE 62 H PHE 62 23.383 -1.102 -3.396 551 HA PHE 62 HA PHE 62 21.088 0.735 -3.920 552 HB2 PHE 62 2HB PHE 62 21.607 1.757 -1.770 553 HB3 PHE 62 3HB PHE 62 21.236 0.061 -1.611 554 HD1 PHE 62 2HD PHE 62 23.016 -1.589 -1.005 555 HD2 PHE 62 1HD PHE 62 23.824 2.644 -1.243 556 HE1 PHE 62 2HE PHE 62 25.118 -1.917 0.269 557 HE2 PHE 62 1HE PHE 62 25.930 2.309 0.029 558 HZ PHE 62 HZ PHE 62 26.582 0.028 0.787 559 H ILE 63 H ILE 63 24.013 0.305 -5.232 560 HA ILE 63 HA ILE 63 25.299 2.830 -4.834 561 HB ILE 63 HB ILE 63 26.407 0.717 -5.535 562 HG12 ILE 63 2HG1 ILE 63 27.011 3.095 -7.342 563 HG13 ILE 63 3HG1 ILE 63 27.463 2.981 -5.637 564 HG21 ILE 63 1HG2 ILE 63 24.749 0.129 -7.377 565 HG22 ILE 63 2HG2 ILE 63 25.507 1.385 -8.369 566 HG23 ILE 63 3HG2 ILE 63 26.449 -0.016 -7.825 567 HD11 ILE 63 3HD1 ILE 63 28.819 0.947 -6.150 568 HD12 ILE 63 1HD1 ILE 63 28.450 1.172 -7.878 569 HD13 ILE 63 2HD1 ILE 63 29.369 2.404 -7.001 570 H VAL 64 H VAL 64 25.487 4.651 -6.113 571 HA VAL 64 HA VAL 64 23.757 5.057 -8.453 572 HB VAL 64 HB VAL 64 22.336 5.527 -6.462 573 HG11 VAL 64 1HG1 VAL 64 22.658 7.521 -5.116 574 HG12 VAL 64 2HG1 VAL 64 24.044 6.440 -4.921 575 HG13 VAL 64 3HG1 VAL 64 24.183 7.891 -5.942 576 HG21 VAL 64 3HG2 VAL 64 22.861 8.033 -8.092 577 HG22 VAL 64 1HG2 VAL 64 21.918 6.624 -8.647 578 HG23 VAL 64 2HG2 VAL 64 21.374 7.569 -7.252 579 H THR 65 H THR 65 24.298 6.972 -9.653 580 HA THR 65 HA THR 65 25.814 8.216 -10.774 581 HB THR 65 HB THR 65 26.859 9.211 -8.117 582 HG1 THR 65 1HG THR 65 25.095 10.596 -8.123 583 HG21 THR 65 1HG2 THR 65 26.911 11.377 -9.319 584 HG22 THR 65 2HG2 THR 65 26.278 10.597 -10.786 585 HG23 THR 65 3HG2 THR 65 27.895 10.192 -10.178 586 H ASP 66 H ASP 66 26.615 5.773 -10.912 587 HA ASP 66 HA ASP 66 29.589 5.857 -10.856 588 HB2 ASP 66 2HB ASP 66 28.862 4.571 -8.887 589 HB3 ASP 66 3HB ASP 66 27.882 3.525 -9.909 Start of MODEL 10 1 H1 GLY -1 1H GLY -1 -21.001 -3.515 11.633 2 H2 GLY -1 2H GLY -1 -20.117 -4.640 10.831 3 H3 GLY -1 3H GLY -1 -20.689 -4.964 12.332 4 HA2 GLY -1 2HA GLY -1 -22.963 -4.913 11.555 5 HA3 GLY -1 3HA GLY -1 -22.355 -4.529 9.934 6 H SER 0 H SER 0 -23.842 -6.909 11.242 7 HA SER 0 HA SER 0 -22.052 -9.157 11.141 8 HB2 SER 0 2HB SER 0 -25.078 -9.113 11.339 9 HB3 SER 0 3HB SER 0 -24.004 -10.467 11.742 10 HG SER 0 HG SER 0 -24.609 -9.256 13.600 11 H GLN 1 H GLN 1 -21.811 -8.059 8.660 12 HA GLN 1 HA GLN 1 -22.922 -10.152 6.829 13 HB2 GLN 1 2HB GLN 1 -22.716 -7.159 6.321 14 HB3 GLN 1 3HB GLN 1 -23.099 -8.345 5.079 15 HG2 GLN 1 2HG GLN 1 -24.824 -7.890 7.552 16 HG3 GLN 1 3HG GLN 1 -25.070 -7.115 5.997 17 HE21 GLN 1 1HE2 GLN 1 -25.126 -10.322 7.636 18 HE22 GLN 1 2HE2 GLN 1 -26.154 -11.057 6.405 19 H ARG 2 H ARG 2 -20.181 -9.351 8.227 20 HA ARG 2 HA ARG 2 -18.458 -9.981 5.865 21 HB2 ARG 2 2HB ARG 2 -17.902 -7.877 8.004 22 HB3 ARG 2 3HB ARG 2 -16.725 -8.451 6.817 23 HG2 ARG 2 2HG ARG 2 -18.190 -7.649 4.969 24 HG3 ARG 2 3HG ARG 2 -19.331 -7.006 6.169 25 HD2 ARG 2 2HD ARG 2 -17.561 -5.546 7.083 26 HD3 ARG 2 3HD ARG 2 -16.416 -6.177 5.880 27 HE ARG 2 HE ARG 2 -18.671 -5.219 4.468 28 HH11 ARG 2 1HH1 ARG 2 -16.112 -3.815 6.405 29 HH12 ARG 2 2HH1 ARG 2 -16.196 -2.286 5.574 30 HH21 ARG 2 1HH2 ARG 2 -18.726 -3.245 3.448 31 HH22 ARG 2 2HH2 ARG 2 -17.640 -1.980 3.942 32 H ARG 3 H ARG 3 -16.513 -11.027 6.329 33 HA ARG 3 HA ARG 3 -16.589 -12.864 8.665 34 HB2 ARG 3 2HB ARG 3 -14.732 -12.788 6.247 35 HB3 ARG 3 3HB ARG 3 -14.777 -14.052 7.464 36 HG2 ARG 3 2HG ARG 3 -16.982 -13.373 5.474 37 HG3 ARG 3 3HG ARG 3 -15.916 -14.770 5.428 38 HD2 ARG 3 2HD ARG 3 -18.009 -14.201 7.568 39 HD3 ARG 3 3HD ARG 3 -18.171 -15.340 6.229 40 HE ARG 3 HE ARG 3 -15.850 -16.145 7.534 41 HH11 ARG 3 1HH1 ARG 3 -19.221 -15.899 8.457 42 HH12 ARG 3 2HH1 ARG 3 -19.086 -17.179 9.632 43 HH21 ARG 3 1HH2 ARG 3 -15.745 -17.759 9.057 44 HH22 ARG 3 2HH2 ARG 3 -17.168 -18.202 9.953 45 H GLN 4 H GLN 4 -14.647 -13.338 9.872 46 HA GLN 4 HA GLN 4 -13.269 -10.967 10.855 47 HB2 GLN 4 2HB GLN 4 -12.899 -13.940 11.404 48 HB3 GLN 4 3HB GLN 4 -11.983 -12.679 12.219 49 HG2 GLN 4 2HG GLN 4 -15.025 -12.933 12.318 50 HG3 GLN 4 3HG GLN 4 -13.920 -13.549 13.537 51 HE21 GLN 4 1HE2 GLN 4 -15.801 -11.879 14.497 52 HE22 GLN 4 2HE2 GLN 4 -15.098 -10.304 14.845 53 H ARG 5 H ARG 5 -11.050 -10.504 10.757 54 HA ARG 5 HA ARG 5 -9.819 -11.125 8.172 55 HB2 ARG 5 2HB ARG 5 -9.852 -8.854 9.707 56 HB3 ARG 5 3HB ARG 5 -8.310 -9.539 10.205 57 HG2 ARG 5 2HG ARG 5 -7.981 -9.782 7.522 58 HG3 ARG 5 3HG ARG 5 -9.238 -8.548 7.501 59 HD2 ARG 5 2HD ARG 5 -7.161 -7.388 7.437 60 HD3 ARG 5 3HD ARG 5 -7.775 -7.186 9.086 61 HE ARG 5 HE ARG 5 -5.880 -9.430 8.475 62 HH11 ARG 5 1HH1 ARG 5 -6.218 -6.342 10.114 63 HH12 ARG 5 2HH1 ARG 5 -4.798 -6.628 11.082 64 HH21 ARG 5 1HH2 ARG 5 -4.192 -9.733 9.687 65 HH22 ARG 5 2HH2 ARG 5 -3.653 -8.536 10.848 66 H THR 6 H THR 6 -7.508 -11.619 7.999 67 HA THR 6 HA THR 6 -6.278 -13.259 10.136 68 HB THR 6 HB THR 6 -7.599 -14.804 8.756 69 HG1 THR 6 1HG THR 6 -5.962 -16.262 8.506 70 HG21 THR 6 1HG2 THR 6 -5.718 -14.115 6.462 71 HG22 THR 6 2HG2 THR 6 -7.444 -13.700 6.536 72 HG23 THR 6 3HG2 THR 6 -6.943 -15.395 6.492 73 H HIS 7 H HIS 7 -4.047 -14.111 8.662 74 HA HIS 7 HA HIS 7 -2.393 -11.727 8.572 75 HB2 HIS 7 2HB HIS 7 -1.568 -13.982 9.205 76 HB3 HIS 7 3HB HIS 7 -1.828 -14.531 7.546 77 HD2 HIS 7 2HD HIS 7 0.558 -14.803 6.555 78 HE1 HIS 7 1HE HIS 7 2.262 -11.065 7.715 79 HE2 HIS 7 2HE HIS 7 2.654 -13.211 6.398 80 H PHE 8 H PHE 8 -1.150 -10.971 6.712 81 HA PHE 8 HA PHE 8 -2.926 -10.243 4.573 82 HB2 PHE 8 2HB PHE 8 0.054 -9.837 4.956 83 HB3 PHE 8 3HB PHE 8 -0.855 -9.161 3.620 84 HD1 PHE 8 2HD PHE 8 -3.152 -8.868 6.298 85 HD2 PHE 8 1HD PHE 8 0.577 -7.238 4.840 86 HE1 PHE 8 2HE PHE 8 -3.557 -6.801 7.569 87 HE2 PHE 8 1HE PHE 8 0.151 -5.162 6.113 88 HZ PHE 8 HZ PHE 8 -1.923 -4.939 7.493 89 H THR 9 H THR 9 -2.961 -10.684 2.443 90 HA THR 9 HA THR 9 -1.825 -13.322 1.623 91 HB THR 9 HB THR 9 -4.261 -13.186 1.638 92 HG1 THR 9 1HG THR 9 -4.491 -14.049 -0.395 93 HG21 THR 9 1HG2 THR 9 -4.661 -10.832 1.035 94 HG22 THR 9 2HG2 THR 9 -5.464 -11.915 -0.102 95 HG23 THR 9 3HG2 THR 9 -3.960 -11.101 -0.577 96 H SER 10 H SER 10 -1.024 -13.636 -0.502 97 HA SER 10 HA SER 10 1.066 -12.002 -1.251 98 HB2 SER 10 2HB SER 10 -0.585 -13.734 -3.134 99 HB3 SER 10 3HB SER 10 1.105 -13.242 -3.350 100 HG SER 10 HG SER 10 0.926 -15.369 -2.471 101 H GLN 11 H GLN 11 -2.279 -11.766 -2.437 102 HA GLN 11 HA GLN 11 -1.852 -10.020 -4.613 103 HB2 GLN 11 2HB GLN 11 -3.917 -11.404 -3.899 104 HB3 GLN 11 3HB GLN 11 -4.339 -10.015 -2.880 105 HG2 GLN 11 2HG GLN 11 -4.285 -8.566 -4.932 106 HG3 GLN 11 3HG GLN 11 -3.847 -9.983 -5.894 107 HE21 GLN 11 1HE2 GLN 11 -5.965 -8.859 -6.935 108 HE22 GLN 11 2HE2 GLN 11 -7.459 -9.640 -6.436 109 H GLN 12 H GLN 12 -1.978 -9.290 -1.158 110 HA GLN 12 HA GLN 12 -2.177 -6.371 -1.527 111 HB2 GLN 12 2HB GLN 12 -1.532 -8.041 0.937 112 HB3 GLN 12 3HB GLN 12 -1.862 -6.310 0.918 113 HG2 GLN 12 2HG GLN 12 -4.168 -6.687 0.231 114 HG3 GLN 12 3HG GLN 12 -3.887 -8.415 0.015 115 HE21 GLN 12 1HE2 GLN 12 -4.752 -5.985 2.346 116 HE22 GLN 12 2HE2 GLN 12 -4.696 -7.057 3.744 117 H LEU 13 H LEU 13 0.363 -8.770 -0.641 118 HA LEU 13 HA LEU 13 2.421 -6.770 -0.315 119 HB2 LEU 13 2HB LEU 13 2.637 -9.784 -0.725 120 HB3 LEU 13 3HB LEU 13 3.969 -8.716 -0.340 121 HG LEU 13 HG LEU 13 3.485 -9.720 1.669 122 HD11 LEU 13 1HD1 LEU 13 2.775 -8.010 3.191 123 HD12 LEU 13 2HD1 LEU 13 1.892 -7.146 1.920 124 HD13 LEU 13 3HD1 LEU 13 3.669 -7.234 1.872 125 HD21 LEU 13 3HD2 LEU 13 0.527 -9.130 1.471 126 HD22 LEU 13 1HD2 LEU 13 1.383 -10.052 2.717 127 HD23 LEU 13 2HD2 LEU 13 1.288 -10.690 1.071 128 H GLN 14 H GLN 14 1.498 -8.770 -3.146 129 HA GLN 14 HA GLN 14 3.726 -7.858 -4.732 130 HB2 GLN 14 2HB GLN 14 2.760 -8.955 -6.542 131 HB3 GLN 14 3HB GLN 14 2.395 -9.939 -5.126 132 HG2 GLN 14 2HG GLN 14 0.075 -8.897 -5.122 133 HG3 GLN 14 3HG GLN 14 0.484 -8.107 -6.643 134 HE21 GLN 14 1HE2 GLN 14 0.981 -9.520 -8.551 135 HE22 GLN 14 2HE2 GLN 14 0.287 -11.135 -8.577 136 H GLU 15 H GLU 15 0.532 -6.485 -4.125 137 HA GLU 15 HA GLU 15 0.699 -4.422 -6.159 138 HB2 GLU 15 2HB GLU 15 -1.411 -5.228 -5.037 139 HB3 GLU 15 3HB GLU 15 -0.882 -4.420 -3.563 140 HG2 GLU 15 2HG GLU 15 -2.447 -2.985 -4.640 141 HG3 GLU 15 3HG GLU 15 -0.872 -2.235 -4.835 142 H LEU 16 H LEU 16 1.620 -4.540 -2.683 143 HA LEU 16 HA LEU 16 2.646 -1.870 -2.490 144 HB2 LEU 16 2HB LEU 16 3.334 -4.458 -1.052 145 HB3 LEU 16 3HB LEU 16 4.076 -2.922 -0.647 146 HG LEU 16 HG LEU 16 1.068 -3.345 -0.546 147 HD11 LEU 16 1HD1 LEU 16 2.209 -4.869 1.030 148 HD12 LEU 16 2HD1 LEU 16 1.372 -3.573 1.889 149 HD13 LEU 16 3HD1 LEU 16 3.133 -3.503 1.690 150 HD21 LEU 16 3HD2 LEU 16 2.891 -1.224 0.681 151 HD22 LEU 16 1HD2 LEU 16 1.133 -1.354 0.909 152 HD23 LEU 16 2HD2 LEU 16 1.790 -0.977 -0.687 153 H GLU 17 H GLU 17 4.283 -4.920 -3.489 154 HA GLU 17 HA GLU 17 6.797 -3.627 -4.057 155 HB2 GLU 17 2HB GLU 17 6.632 -6.008 -3.637 156 HB3 GLU 17 3HB GLU 17 5.637 -6.247 -5.084 157 HG2 GLU 17 2HG GLU 17 7.454 -5.739 -6.548 158 HG3 GLU 17 3HG GLU 17 8.383 -4.980 -5.257 159 H ALA 18 H ALA 18 4.002 -4.362 -6.232 160 HA ALA 18 HA ALA 18 5.235 -3.384 -8.594 161 HB1 ALA 18 1HB ALA 18 3.218 -4.787 -8.585 162 HB2 ALA 18 2HB ALA 18 2.286 -3.478 -7.820 163 HB3 ALA 18 3HB ALA 18 2.926 -3.275 -9.465 164 H THR 19 H THR 19 3.168 -1.602 -6.197 165 HA THR 19 HA THR 19 3.401 0.870 -7.661 166 HB THR 19 HB THR 19 1.591 0.276 -6.019 167 HG1 THR 19 1HG THR 19 2.907 2.780 -5.809 168 HG21 THR 19 1HG2 THR 19 3.033 -0.287 -4.062 169 HG22 THR 19 2HG2 THR 19 1.820 0.943 -3.716 170 HG23 THR 19 3HG2 THR 19 3.516 1.418 -3.952 171 H PHE 20 H PHE 20 5.483 -0.577 -5.133 172 HA PHE 20 HA PHE 20 7.182 1.727 -4.820 173 HB2 PHE 20 2HB PHE 20 7.285 -0.143 -3.258 174 HB3 PHE 20 3HB PHE 20 7.786 -1.242 -4.532 175 HD1 PHE 20 1HD PHE 20 8.828 1.667 -2.462 176 HD2 PHE 20 2HD PHE 20 10.092 -1.283 -5.337 177 HE1 PHE 20 1HE PHE 20 11.198 2.279 -2.056 178 HE2 PHE 20 2HE PHE 20 12.472 -0.668 -4.921 179 HZ PHE 20 HZ PHE 20 13.023 1.098 -3.264 180 H GLN 21 H GLN 21 7.516 -1.148 -7.032 181 HA GLN 21 HA GLN 21 9.860 -0.058 -8.278 182 HB2 GLN 21 2HB GLN 21 7.901 -2.147 -9.291 183 HB3 GLN 21 3HB GLN 21 9.472 -1.819 -10.012 184 HG2 GLN 21 2HG GLN 21 9.093 -2.829 -7.154 185 HG3 GLN 21 3HG GLN 21 9.377 -3.842 -8.554 186 HE21 GLN 21 1HE2 GLN 21 11.383 -4.706 -7.942 187 HE22 GLN 21 2HE2 GLN 21 12.801 -3.696 -7.720 188 H ARG 22 H ARG 22 6.455 0.487 -8.996 189 HA ARG 22 HA ARG 22 6.934 1.981 -11.473 190 HB2 ARG 22 2HB ARG 22 4.580 1.765 -9.560 191 HB3 ARG 22 3HB ARG 22 4.563 2.805 -10.986 192 HG2 ARG 22 2HG ARG 22 4.828 0.931 -12.492 193 HG3 ARG 22 3HG ARG 22 5.143 -0.182 -11.162 194 HD2 ARG 22 2HD ARG 22 2.883 -0.519 -11.914 195 HD3 ARG 22 3HD ARG 22 2.854 0.187 -10.289 196 HE ARG 22 HE ARG 22 2.696 2.222 -12.356 197 HH11 ARG 22 1HH1 ARG 22 0.661 -0.127 -10.734 198 HH12 ARG 22 2HH1 ARG 22 -0.789 0.791 -11.034 199 HH21 ARG 22 1HH2 ARG 22 0.809 3.342 -12.695 200 HH22 ARG 22 2HH2 ARG 22 -0.700 2.697 -12.123 201 H ASN 23 H ASN 23 6.587 2.932 -8.040 202 HA ASN 23 HA ASN 23 7.870 5.535 -8.646 203 HB2 ASN 23 2HB ASN 23 5.397 5.828 -8.931 204 HB3 ASN 23 3HB ASN 23 5.156 5.303 -7.265 205 HD21 ASN 23 1HD2 ASN 23 6.408 6.640 -5.590 206 HD22 ASN 23 2HD2 ASN 23 6.515 8.378 -5.906 207 H ARG 24 H ARG 24 9.669 4.809 -7.483 208 HA ARG 24 HA ARG 24 9.526 3.874 -4.741 209 HB2 ARG 24 2HB ARG 24 11.906 5.016 -6.267 210 HB3 ARG 24 3HB ARG 24 11.970 4.139 -4.729 211 HG2 ARG 24 2HG ARG 24 10.949 2.149 -5.850 212 HG3 ARG 24 3HG ARG 24 11.019 3.012 -7.397 213 HD2 ARG 24 2HD ARG 24 13.518 3.219 -7.053 214 HD3 ARG 24 3HD ARG 24 13.352 2.142 -5.666 215 HE ARG 24 HE ARG 24 12.491 0.387 -7.169 216 HH11 ARG 24 1HH2 ARG 24 14.083 3.016 -8.876 217 HH12 ARG 24 2HH2 ARG 24 14.328 2.037 -10.295 218 HH21 ARG 24 1HH1 ARG 24 12.784 -0.736 -8.959 219 HH22 ARG 24 2HH1 ARG 24 13.631 -0.062 -10.342 220 H TYR 25 H TYR 25 10.284 4.964 -2.854 221 HA TYR 25 HA TYR 25 9.818 6.551 -1.279 222 HB2 TYR 25 2HB TYR 25 11.196 8.319 -3.319 223 HB3 TYR 25 3HB TYR 25 10.753 8.842 -1.709 224 HD1 TYR 25 2HD TYR 25 12.765 6.159 -3.440 225 HD2 TYR 25 1HD TYR 25 12.279 8.677 0.030 226 HE1 TYR 25 2HE TYR 25 14.938 5.351 -2.545 227 HE2 TYR 25 1HE TYR 25 14.479 7.894 0.901 228 HH TYR 25 HH TYR 25 16.274 6.512 0.568 229 HA PRO 26 HA PRO 26 5.877 7.874 -3.549 230 HB2 PRO 26 2HB PRO 26 4.076 6.518 -1.985 231 HB3 PRO 26 3HB PRO 26 4.887 5.805 -3.413 232 HG2 PRO 26 2HG PRO 26 5.679 5.545 -0.492 233 HG3 PRO 26 3HG PRO 26 5.506 4.245 -1.717 234 HD2 PRO 26 2HD PRO 26 7.923 5.300 -1.122 235 HD3 PRO 26 3HD PRO 26 7.499 4.879 -2.809 236 H ASP 27 H ASP 27 4.521 9.526 -2.914 237 HA ASP 27 HA ASP 27 5.129 10.992 -0.468 238 HB2 ASP 27 2HB ASP 27 3.068 11.400 -2.671 239 HB3 ASP 27 3HB ASP 27 3.297 12.498 -1.314 240 H MET 28 H MET 28 3.472 11.653 1.106 241 HA MET 28 HA MET 28 2.310 9.393 2.323 242 HB2 MET 28 2HB MET 28 1.604 12.306 2.885 243 HB3 MET 28 3HB MET 28 1.407 10.919 3.961 244 HG2 MET 28 2HG MET 28 3.359 11.872 4.767 245 HG3 MET 28 3HG MET 28 3.969 10.598 3.717 246 HE1 MET 28 3HE MET 28 6.285 12.041 4.187 247 HE2 MET 28 1HE MET 28 6.178 11.164 2.638 248 HE3 MET 28 2HE MET 28 6.831 12.814 2.680 249 H SER 29 H SER 29 0.813 11.712 0.107 250 HA SER 29 HA SER 29 -1.923 10.814 0.417 251 HB2 SER 29 2HB SER 29 -2.184 11.928 -1.830 252 HB3 SER 29 3HB SER 29 -1.533 12.959 -0.544 253 HG SER 29 HG SER 29 -0.351 13.161 -2.516 254 H THR 30 H THR 30 0.746 9.897 -1.824 255 HA THR 30 HA THR 30 -0.679 7.898 -3.288 256 HB THR 30 HB THR 30 2.283 7.841 -2.602 257 HG1 THR 30 1HG THR 30 0.973 9.224 -4.700 258 HG21 THR 30 1HG2 THR 30 1.523 5.832 -3.772 259 HG22 THR 30 2HG2 THR 30 2.503 6.833 -4.851 260 HG23 THR 30 3HG2 THR 30 0.732 6.823 -5.016 261 H ARG 31 H ARG 31 1.363 7.625 -0.338 262 HA ARG 31 HA ARG 31 0.988 4.829 0.130 263 HB2 ARG 31 2HB ARG 31 1.315 7.078 2.182 264 HB3 ARG 31 3HB ARG 31 1.523 5.365 2.515 265 HG2 ARG 31 2HG ARG 31 3.469 5.262 1.006 266 HG3 ARG 31 3HG ARG 31 3.228 6.937 0.546 267 HD2 ARG 31 2HD ARG 31 3.388 7.381 3.160 268 HD3 ARG 31 3HD ARG 31 4.222 5.817 3.160 269 HE ARG 31 HE ARG 31 5.308 7.496 1.092 270 HH11 ARG 31 1HH1 ARG 31 5.328 7.485 4.589 271 HH12 ARG 31 2HH1 ARG 31 6.814 8.396 4.657 272 HH21 ARG 31 1HH2 ARG 31 7.072 8.635 1.224 273 HH22 ARG 31 2HH2 ARG 31 7.829 9.011 2.763 274 H GLU 32 H GLU 32 -1.038 7.575 1.245 275 HA GLU 32 HA GLU 32 -2.901 5.947 2.688 276 HB2 GLU 32 2HB GLU 32 -2.586 8.390 2.989 277 HB3 GLU 32 3HB GLU 32 -3.286 8.681 1.391 278 HG2 GLU 32 2HG GLU 32 -5.433 7.680 2.165 279 HG3 GLU 32 3HG GLU 32 -4.719 7.394 3.754 280 H GLU 33 H GLU 33 -2.950 7.043 -0.756 281 HA GLU 33 HA GLU 33 -5.499 5.839 -1.355 282 HB2 GLU 33 2HB GLU 33 -3.134 6.583 -3.113 283 HB3 GLU 33 3HB GLU 33 -4.622 5.857 -3.733 284 HG2 GLU 33 2HG GLU 33 -5.958 7.701 -2.766 285 HG3 GLU 33 3HG GLU 33 -4.487 8.487 -2.203 286 H ILE 34 H ILE 34 -2.134 4.490 -1.742 287 HA ILE 34 HA ILE 34 -3.221 1.985 -2.662 288 HB ILE 34 HB ILE 34 -1.068 1.040 -2.562 289 HG12 ILE 34 2HG1 ILE 34 0.943 2.403 -1.909 290 HG13 ILE 34 3HG1 ILE 34 -0.143 3.440 -0.992 291 HG21 ILE 34 1HG2 ILE 34 0.073 2.503 -4.105 292 HG22 ILE 34 2HG2 ILE 34 -1.667 2.622 -4.390 293 HG23 ILE 34 3HG2 ILE 34 -0.813 3.910 -3.514 294 HD11 ILE 34 3HD1 ILE 34 -0.169 0.451 -0.503 295 HD12 ILE 34 1HD1 ILE 34 1.146 1.437 0.146 296 HD13 ILE 34 2HD1 ILE 34 -0.514 1.777 0.633 297 H ALA 35 H ALA 35 -2.733 3.210 0.591 298 HA ALA 35 HA ALA 35 -2.994 0.725 1.969 299 HB1 ALA 35 1HB ALA 35 -3.867 3.499 2.876 300 HB2 ALA 35 2HB ALA 35 -3.552 2.095 3.906 301 HB3 ALA 35 3HB ALA 35 -2.222 2.850 3.017 302 H VAL 36 H VAL 36 -5.562 3.063 0.881 303 HA VAL 36 HA VAL 36 -7.673 1.318 1.865 304 HB VAL 36 HB VAL 36 -9.258 2.708 0.675 305 HG11 VAL 36 1HG1 VAL 36 -8.465 3.339 2.933 306 HG12 VAL 36 2HG1 VAL 36 -7.202 4.356 2.195 307 HG13 VAL 36 3HG1 VAL 36 -8.915 4.748 1.953 308 HG21 VAL 36 3HG2 VAL 36 -7.885 3.382 -1.302 309 HG22 VAL 36 1HG2 VAL 36 -8.649 4.743 -0.476 310 HG23 VAL 36 2HG2 VAL 36 -6.925 4.424 -0.231 311 H TRP 37 H TRP 37 -6.012 1.549 -1.275 312 HA TRP 37 HA TRP 37 -7.770 -0.280 -2.639 313 HB2 TRP 37 2HB TRP 37 -4.867 0.389 -3.158 314 HB3 TRP 37 3HB TRP 37 -5.944 -0.422 -4.286 315 HD1 TRP 37 1HD TRP 37 -8.162 2.018 -3.138 316 HE1 TRP 37 1HE TRP 37 -8.064 4.284 -4.326 317 HE3 TRP 37 3HE TRP 37 -3.671 1.449 -5.501 318 HZ2 TRP 37 2HZ TRP 37 -6.292 5.637 -6.178 319 HZ3 TRP 37 3HZ TRP 37 -2.786 3.254 -6.965 320 HH2 TRP 37 2HH TRP 37 -4.083 5.344 -7.310 321 H THR 38 H THR 38 -4.871 -0.856 -0.646 322 HA THR 38 HA THR 38 -5.081 -3.791 -1.075 323 HB THR 38 HB THR 38 -3.036 -3.947 0.281 324 HG1 THR 38 1HG THR 38 -2.957 -1.127 0.118 325 HG21 THR 38 1HG2 THR 38 -2.851 -3.731 -2.156 326 HG22 THR 38 2HG2 THR 38 -1.490 -2.962 -1.319 327 HG23 THR 38 3HG2 THR 38 -2.786 -1.961 -2.012 328 H ASN 39 H ASN 39 -6.579 -1.657 0.951 329 HA ASN 39 HA ASN 39 -7.606 -1.672 2.904 330 HB2 ASN 39 2HB ASN 39 -8.797 -3.567 1.752 331 HB3 ASN 39 3HB ASN 39 -7.773 -4.694 2.645 332 HD21 ASN 39 1HD2 ASN 39 -9.897 -5.507 3.443 333 HD22 ASN 39 2HD2 ASN 39 -10.646 -4.664 4.792 334 H LEU 40 H LEU 40 -5.084 -1.253 3.215 335 HA LEU 40 HA LEU 40 -4.170 -2.612 5.725 336 HB2 LEU 40 2HB LEU 40 -2.761 -1.510 3.311 337 HB3 LEU 40 3HB LEU 40 -2.039 -1.132 4.856 338 HG LEU 40 HG LEU 40 -1.889 -3.486 5.462 339 HD11 LEU 40 1HD1 LEU 40 -3.728 -4.466 4.157 340 HD12 LEU 40 2HD1 LEU 40 -2.199 -5.246 3.745 341 HD13 LEU 40 3HD1 LEU 40 -2.896 -4.037 2.645 342 HD21 LEU 40 3HD2 LEU 40 -0.006 -2.388 4.347 343 HD22 LEU 40 1HD2 LEU 40 -0.697 -2.785 2.755 344 HD23 LEU 40 2HD2 LEU 40 -0.119 -4.079 3.830 345 H THR 41 H THR 41 -2.908 -1.137 7.155 346 HA THR 41 HA THR 41 -4.204 1.525 7.495 347 HB THR 41 HB THR 41 -4.356 0.255 9.484 348 HG1 THR 41 1HG THR 41 -3.357 1.698 10.833 349 HG21 THR 41 1HG2 THR 41 -2.414 -0.498 10.775 350 HG22 THR 41 2HG2 THR 41 -1.322 0.004 9.470 351 HG23 THR 41 3HG2 THR 41 -2.470 -1.331 9.216 352 H GLU 42 H GLU 42 -3.105 3.381 7.274 353 HA GLU 42 HA GLU 42 -0.888 3.464 5.562 354 HB2 GLU 42 2HB GLU 42 -1.624 5.723 7.449 355 HB3 GLU 42 3HB GLU 42 -0.791 5.801 5.898 356 HG2 GLU 42 2HG GLU 42 -2.852 6.500 5.247 357 HG3 GLU 42 3HG GLU 42 -3.022 4.781 4.928 358 H ALA 43 H ALA 43 -0.858 3.352 9.100 359 HA ALA 43 HA ALA 43 1.876 4.165 9.487 360 HB1 ALA 43 1HB ALA 43 0.177 4.187 11.270 361 HB2 ALA 43 2HB ALA 43 0.040 2.415 11.188 362 HB3 ALA 43 3HB ALA 43 1.557 3.170 11.727 363 H ARG 44 H ARG 44 0.378 0.961 8.903 364 HA ARG 44 HA ARG 44 2.922 -0.489 9.103 365 HB2 ARG 44 2HB ARG 44 0.729 -1.518 9.629 366 HB3 ARG 44 3HB ARG 44 0.286 -1.419 7.915 367 HG2 ARG 44 2HG ARG 44 2.151 -2.876 7.299 368 HG3 ARG 44 3HG ARG 44 2.779 -2.872 8.954 369 HD2 ARG 44 2HD ARG 44 0.024 -3.892 8.208 370 HD3 ARG 44 3HD ARG 44 1.473 -4.924 8.212 371 HE ARG 44 HE ARG 44 1.167 -3.551 10.734 372 HH11 ARG 44 1HH1 ARG 44 -0.090 -6.330 8.997 373 HH12 ARG 44 2HH1 ARG 44 -0.443 -7.194 10.467 374 HH21 ARG 44 1HH2 ARG 44 0.643 -4.696 12.562 375 HH22 ARG 44 2HH2 ARG 44 -0.066 -6.276 12.428 376 H VAL 45 H VAL 45 0.996 0.904 6.471 377 HA VAL 45 HA VAL 45 2.640 0.052 4.275 378 HB VAL 45 HB VAL 45 0.845 2.459 4.704 379 HG11 VAL 45 1HG1 VAL 45 0.902 2.818 2.270 380 HG12 VAL 45 2HG1 VAL 45 2.452 3.170 3.023 381 HG13 VAL 45 3HG1 VAL 45 2.233 1.632 2.151 382 HG21 VAL 45 3HG2 VAL 45 0.560 -0.086 3.049 383 HG22 VAL 45 1HG2 VAL 45 -0.256 0.256 4.589 384 HG23 VAL 45 2HG2 VAL 45 -0.634 1.220 3.158 385 H ARG 46 H ARG 46 2.892 2.991 6.336 386 HA ARG 46 HA ARG 46 5.207 4.119 5.135 387 HB2 ARG 46 2HB ARG 46 3.662 5.189 6.776 388 HB3 ARG 46 3HB ARG 46 4.326 4.178 8.060 389 HG2 ARG 46 2HG ARG 46 6.571 5.201 7.695 390 HG3 ARG 46 3HG ARG 46 5.889 6.233 6.434 391 HD2 ARG 46 2HD ARG 46 5.065 6.186 9.370 392 HD3 ARG 46 3HD ARG 46 6.113 7.394 8.608 393 HE ARG 46 HE ARG 46 3.617 7.301 7.201 394 HH11 ARG 46 1HH1 ARG 46 4.841 8.414 10.289 395 HH12 ARG 46 2HH1 ARG 46 3.581 9.604 10.462 396 HH21 ARG 46 1HH2 ARG 46 2.034 8.844 7.488 397 HH22 ARG 46 2HH2 ARG 46 2.043 9.835 8.915 398 H VAL 47 H VAL 47 5.011 1.767 7.831 399 HA VAL 47 HA VAL 47 7.849 1.356 8.098 400 HB VAL 47 HB VAL 47 5.480 -0.410 8.813 401 HG11 VAL 47 1HG1 VAL 47 7.067 -1.661 10.276 402 HG12 VAL 47 2HG1 VAL 47 7.409 -1.910 8.565 403 HG13 VAL 47 3HG1 VAL 47 8.424 -0.802 9.515 404 HG21 VAL 47 3HG2 VAL 47 5.990 0.317 11.103 405 HG22 VAL 47 1HG2 VAL 47 7.371 1.274 10.522 406 HG23 VAL 47 2HG2 VAL 47 5.716 1.733 10.086 407 H TRP 48 H TRP 48 5.418 -0.336 6.027 408 HA TRP 48 HA TRP 48 7.220 -2.277 5.035 409 HB2 TRP 48 2HB TRP 48 4.695 -2.250 4.820 410 HB3 TRP 48 3HB TRP 48 4.887 -1.128 3.473 411 HD1 TRP 48 1HD TRP 48 5.160 -4.747 4.441 412 HE1 TRP 48 1HE TRP 48 5.797 -6.217 2.439 413 HE3 TRP 48 3HE TRP 48 6.233 -1.069 1.033 414 HZ2 TRP 48 2HZ TRP 48 6.719 -5.854 -0.267 415 HZ3 TRP 48 3HZ TRP 48 7.031 -1.669 -1.242 416 HH2 TRP 48 2HH TRP 48 7.301 -4.051 -1.889 417 H PHE 49 H PHE 49 6.417 0.948 3.557 418 HA PHE 49 HA PHE 49 8.367 0.593 1.452 419 HB2 PHE 49 2HB PHE 49 7.067 3.099 2.570 420 HB3 PHE 49 3HB PHE 49 8.120 3.081 1.162 421 HD1 PHE 49 1HD PHE 49 7.360 0.896 -0.521 422 HD2 PHE 49 2HD PHE 49 4.847 3.432 1.901 423 HE1 PHE 49 1HE PHE 49 5.434 0.417 -2.008 424 HE2 PHE 49 2HE PHE 49 2.953 3.013 0.347 425 HZ PHE 49 HZ PHE 49 3.231 1.472 -1.571 426 H LYS 50 H LYS 50 8.740 1.854 4.769 427 HA LYS 50 HA LYS 50 11.475 2.810 4.393 428 HB2 LYS 50 2HB LYS 50 9.997 3.418 6.315 429 HB3 LYS 50 3HB LYS 50 10.099 1.754 6.904 430 HG2 LYS 50 2HG LYS 50 12.560 1.994 7.157 431 HG3 LYS 50 3HG LYS 50 12.462 3.650 6.526 432 HD2 LYS 50 2HD LYS 50 11.015 4.290 8.440 433 HD3 LYS 50 3HD LYS 50 11.101 2.626 9.062 434 HE2 LYS 50 2HE LYS 50 13.573 2.831 9.252 435 HE3 LYS 50 3HE LYS 50 13.486 4.487 8.639 436 HZ1 LYS 50 3HZ LYS 50 13.584 4.447 11.063 437 HZ2 LYS 50 1HZ LYS 50 12.233 3.538 11.164 438 HZ3 LYS 50 2HZ LYS 50 12.151 5.070 10.596 439 H ASN 51 H ASN 51 10.126 -0.333 5.417 440 HA ASN 51 HA ASN 51 12.613 -1.705 5.660 441 HB2 ASN 51 2HB ASN 51 10.346 -2.337 6.590 442 HB3 ASN 51 3HB ASN 51 9.859 -2.825 4.968 443 HD21 ASN 51 1HD2 ASN 51 9.445 -4.840 6.309 444 HD22 ASN 51 2HD2 ASN 51 10.787 -5.967 6.441 445 H ARG 52 H ARG 52 10.365 -1.466 2.838 446 HA ARG 52 HA ARG 52 11.907 -3.016 1.038 447 HB2 ARG 52 2HB ARG 52 9.489 -1.865 0.835 448 HB3 ARG 52 3HB ARG 52 10.393 -0.604 0.016 449 HG2 ARG 52 2HG ARG 52 9.927 -3.482 -0.761 450 HG3 ARG 52 3HG ARG 52 9.588 -2.019 -1.683 451 HD2 ARG 52 2HD ARG 52 12.110 -1.694 -1.875 452 HD3 ARG 52 3HD ARG 52 12.304 -3.322 -1.212 453 HE ARG 52 HE ARG 52 11.764 -2.619 -3.893 454 HH11 ARG 52 1HH2 ARG 52 10.573 -5.142 -1.699 455 HH12 ARG 52 2HH2 ARG 52 10.225 -6.177 -3.087 456 HH21 ARG 52 1HH1 ARG 52 11.439 -4.190 -5.476 457 HH22 ARG 52 2HH1 ARG 52 10.665 -5.693 -4.968 458 H ARG 53 H ARG 53 12.055 0.546 1.580 459 HA ARG 53 HA ARG 53 14.243 1.043 -0.218 460 HB2 ARG 53 2HB ARG 53 13.240 2.501 2.256 461 HB3 ARG 53 3HB ARG 53 14.603 3.086 1.293 462 HG2 ARG 53 2HG ARG 53 13.250 3.241 -0.712 463 HG3 ARG 53 3HG ARG 53 11.850 2.531 0.104 464 HD2 ARG 53 2HD ARG 53 13.187 5.115 0.969 465 HD3 ARG 53 3HD ARG 53 11.803 5.046 -0.141 466 HE ARG 53 HE ARG 53 10.958 3.578 2.031 467 HH11 ARG 53 1HH2 ARG 53 12.149 6.846 1.709 468 HH12 ARG 53 2HH2 ARG 53 11.262 7.431 3.092 469 HH21 ARG 53 1HH1 ARG 53 9.783 4.405 3.790 470 HH22 ARG 53 2HH1 ARG 53 9.961 6.074 4.224 471 H ALA 54 H ALA 54 14.326 0.136 3.256 472 HA ALA 54 HA ALA 54 17.147 0.283 3.526 473 HB1 ALA 54 1HB ALA 54 15.558 0.144 5.408 474 HB2 ALA 54 2HB ALA 54 15.170 -1.535 4.968 475 HB3 ALA 54 3HB ALA 54 16.805 -1.113 5.512 476 H LYS 55 H LYS 55 15.139 -2.421 2.288 477 HA LYS 55 HA LYS 55 17.465 -4.191 1.897 478 HB2 LYS 55 2HB LYS 55 14.505 -4.354 1.307 479 HB3 LYS 55 3HB LYS 55 15.611 -5.397 0.422 480 HG2 LYS 55 2HG LYS 55 14.796 -6.612 2.305 481 HG3 LYS 55 3HG LYS 55 16.523 -6.316 2.512 482 HD2 LYS 55 2HD LYS 55 16.026 -4.498 4.128 483 HD3 LYS 55 3HD LYS 55 14.285 -4.749 3.857 484 HE2 LYS 55 2HE LYS 55 14.503 -7.077 4.681 485 HE3 LYS 55 3HE LYS 55 16.225 -6.811 4.988 486 HZ1 LYS 55 3HZ LYS 55 15.616 -5.098 6.595 487 HZ2 LYS 55 1HZ LYS 55 14.837 -6.480 6.988 488 HZ3 LYS 55 2HZ LYS 55 14.023 -5.261 6.248 489 H TRP 56 H TRP 56 15.509 -2.123 -0.259 490 HA TRP 56 HA TRP 56 16.829 -2.877 -2.683 491 HB2 TRP 56 2HB TRP 56 14.622 -1.813 -2.586 492 HB3 TRP 56 3HB TRP 56 15.325 -0.346 -1.921 493 HD1 TRP 56 1HD TRP 56 15.607 -2.479 -5.127 494 HE1 TRP 56 1HE TRP 56 15.964 -0.943 -7.154 495 HE3 TRP 56 3HE TRP 56 15.916 2.023 -2.691 496 HZ2 TRP 56 2HZ TRP 56 16.357 1.865 -7.652 497 HZ3 TRP 56 3HZ TRP 56 16.278 4.117 -3.982 498 HH2 TRP 56 2HH TRP 56 16.471 4.059 -6.454 499 H ARG 57 H ARG 57 17.420 -0.131 -0.473 500 HA ARG 57 HA ARG 57 19.775 0.675 -2.043 501 HB2 ARG 57 2HB ARG 57 17.751 2.130 -0.912 502 HB3 ARG 57 3HB ARG 57 19.013 2.334 0.305 503 HG2 ARG 57 2HG ARG 57 20.548 3.213 -1.404 504 HG3 ARG 57 3HG ARG 57 19.422 2.747 -2.688 505 HD2 ARG 57 2HD ARG 57 17.732 4.339 -1.724 506 HD3 ARG 57 3HD ARG 57 19.004 4.943 -0.640 507 HE ARG 57 HE ARG 57 20.060 4.968 -3.268 508 HH11 ARG 57 1HH1 ARG 57 17.344 6.600 -1.749 509 HH12 ARG 57 2HH1 ARG 57 17.454 7.951 -2.848 510 HH21 ARG 57 1HH2 ARG 57 20.247 6.745 -4.493 511 HH22 ARG 57 2HH2 ARG 57 19.038 8.010 -4.403 512 H LYS 58 H LYS 58 19.615 -1.662 -0.060 513 HA LYS 58 HA LYS 58 21.581 -1.463 1.951 514 HB2 LYS 58 2HB LYS 58 19.975 -3.331 1.495 515 HB3 LYS 58 3HB LYS 58 20.960 -3.815 0.112 516 HG2 LYS 58 2HG LYS 58 22.826 -4.379 1.610 517 HG3 LYS 58 3HG LYS 58 21.965 -3.684 2.991 518 HD2 LYS 58 2HD LYS 58 21.837 -6.105 3.058 519 HD3 LYS 58 3HD LYS 58 20.223 -5.431 2.797 520 HE2 LYS 58 2HE LYS 58 20.370 -5.943 0.385 521 HE3 LYS 58 3HE LYS 58 22.032 -6.514 0.587 522 HZ1 LYS 58 3HZ LYS 58 21.182 -8.294 2.015 523 HZ2 LYS 58 1HZ LYS 58 20.456 -8.361 0.556 524 HZ3 LYS 58 2HZ LYS 58 19.644 -7.768 1.840 525 H ARG 59 H ARG 59 22.051 -1.414 -1.464 526 HA ARG 59 HA ARG 59 24.830 -1.989 -1.726 527 HB2 ARG 59 2HB ARG 59 24.643 -0.731 -3.831 528 HB3 ARG 59 3HB ARG 59 23.288 -1.838 -3.611 529 HG2 ARG 59 2HG ARG 59 21.880 0.092 -2.816 530 HG3 ARG 59 3HG ARG 59 23.234 1.184 -3.141 531 HD2 ARG 59 2HD ARG 59 23.156 0.605 -5.519 532 HD3 ARG 59 3HD ARG 59 21.900 -0.600 -5.221 533 HE ARG 59 HE ARG 59 21.578 2.381 -4.873 534 HH11 ARG 59 1HH1 ARG 59 19.898 -0.687 -5.319 535 HH12 ARG 59 2HH1 ARG 59 18.404 0.135 -5.654 536 HH21 ARG 59 1HH2 ARG 59 19.777 3.265 -5.188 537 HH22 ARG 59 2HH2 ARG 59 18.300 2.364 -5.547 538 H GLU 60 H GLU 60 23.382 0.725 -0.162 539 HA GLU 60 HA GLU 60 24.151 2.652 0.730 540 HB2 GLU 60 2HB GLU 60 26.660 0.985 1.066 541 HB3 GLU 60 3HB GLU 60 26.397 2.571 1.803 542 HG2 GLU 60 2HG GLU 60 24.357 1.718 2.932 543 HG3 GLU 60 3HG GLU 60 24.668 0.114 2.274 544 H GLU 61 H GLU 61 23.808 3.701 -1.318 545 HA GLU 61 HA GLU 61 25.934 4.516 -3.070 546 HB2 GLU 61 2HB GLU 61 23.245 5.719 -2.323 547 HB3 GLU 61 3HB GLU 61 24.325 6.480 -3.496 548 HG2 GLU 61 2HG GLU 61 24.180 4.649 -5.017 549 HG3 GLU 61 3HG GLU 61 23.455 3.589 -3.806 550 H PHE 62 H PHE 62 27.430 6.120 -2.965 551 HA PHE 62 HA PHE 62 27.828 7.534 -0.419 552 HB2 PHE 62 2HB PHE 62 29.479 7.455 -2.967 553 HB3 PHE 62 3HB PHE 62 29.968 8.206 -1.456 554 HD1 PHE 62 2HD PHE 62 30.055 6.719 0.679 555 HD2 PHE 62 1HD PHE 62 30.006 5.151 -3.341 556 HE1 PHE 62 2HE PHE 62 31.007 4.576 1.501 557 HE2 PHE 62 1HE PHE 62 30.956 3.010 -2.514 558 HZ PHE 62 HZ PHE 62 31.456 2.719 -0.094 559 H ILE 63 H ILE 63 26.256 8.328 -3.352 560 HA ILE 63 HA ILE 63 26.938 11.166 -3.341 561 HB ILE 63 HB ILE 63 25.508 11.328 -5.302 562 HG12 ILE 63 2HG1 ILE 63 24.902 8.358 -4.930 563 HG13 ILE 63 3HG1 ILE 63 23.763 9.672 -4.625 564 HG21 ILE 63 1HG2 ILE 63 26.914 10.039 -6.782 565 HG22 ILE 63 2HG2 ILE 63 27.897 10.588 -5.425 566 HG23 ILE 63 3HG2 ILE 63 27.342 8.901 -5.488 567 HD11 ILE 63 3HD1 ILE 63 23.285 8.723 -6.782 568 HD12 ILE 63 1HD1 ILE 63 23.940 10.355 -7.024 569 HD13 ILE 63 2HD1 ILE 63 24.959 8.923 -7.319 570 H VAL 64 H VAL 64 24.715 9.487 -1.499 571 HA VAL 64 HA VAL 64 22.697 11.669 -1.448 572 HB VAL 64 HB VAL 64 21.252 10.128 -0.253 573 HG11 VAL 64 1HG1 VAL 64 21.266 10.169 -2.735 574 HG12 VAL 64 2HG1 VAL 64 22.410 8.806 -2.736 575 HG13 VAL 64 3HG1 VAL 64 20.785 8.604 -2.057 576 HG21 VAL 64 3HG2 VAL 64 23.434 8.028 -0.600 577 HG22 VAL 64 1HG2 VAL 64 22.967 8.768 0.947 578 HG23 VAL 64 2HG2 VAL 64 21.808 7.775 0.053 579 H THR 65 H THR 65 25.502 11.385 0.104 580 HA THR 65 HA THR 65 24.729 11.683 2.884 581 HB THR 65 HB THR 65 27.109 12.324 3.220 582 HG1 THR 65 1HG THR 65 28.490 12.116 1.434 583 HG21 THR 65 1HG2 THR 65 28.061 10.143 2.669 584 HG22 THR 65 2HG2 THR 65 26.745 9.812 1.522 585 HG23 THR 65 3HG2 THR 65 26.405 9.941 3.262 586 H ASP 66 H ASP 66 25.105 13.506 4.230 587 HA ASP 66 HA ASP 66 24.134 16.032 3.118 588 HB2 ASP 66 2HB ASP 66 23.879 16.725 5.381 589 HB3 ASP 66 3HB ASP 66 23.230 15.107 5.210 Start of MODEL 11 1 H1 GLY -1 1H GLY -1 -21.308 -11.395 2.496 2 H2 GLY -1 2H GLY -1 -22.610 -10.757 3.259 3 H3 GLY -1 3H GLY -1 -21.839 -12.055 3.896 4 HA2 GLY -1 2HA GLY -1 -20.690 -9.355 3.611 5 HA3 GLY -1 3HA GLY -1 -21.273 -10.064 5.128 6 H SER 0 H SER 0 -18.757 -9.144 5.117 7 HA SER 0 HA SER 0 -17.101 -11.567 5.455 8 HB2 SER 0 2HB SER 0 -15.204 -10.572 4.234 9 HB3 SER 0 3HB SER 0 -16.584 -10.890 3.175 10 HG SER 0 HG SER 0 -15.671 -8.815 2.803 11 H GLN 1 H GLN 1 -15.077 -11.124 6.621 12 HA GLN 1 HA GLN 1 -15.556 -9.201 8.817 13 HB2 GLN 1 2HB GLN 1 -13.623 -11.527 8.496 14 HB3 GLN 1 3HB GLN 1 -13.596 -10.410 9.856 15 HG2 GLN 1 2HG GLN 1 -14.802 -12.326 10.572 16 HG3 GLN 1 3HG GLN 1 -15.952 -11.003 10.416 17 HE21 GLN 1 1HE2 GLN 1 -14.692 -13.904 8.631 18 HE22 GLN 1 2HE2 GLN 1 -16.229 -14.236 7.847 19 H ARG 2 H ARG 2 -14.066 -7.705 9.545 20 HA ARG 2 HA ARG 2 -12.457 -6.439 7.426 21 HB2 ARG 2 2HB ARG 2 -12.562 -4.448 8.759 22 HB3 ARG 2 3HB ARG 2 -14.166 -5.160 8.630 23 HG2 ARG 2 2HG ARG 2 -13.938 -6.106 10.928 24 HG3 ARG 2 3HG ARG 2 -12.319 -5.392 11.057 25 HD2 ARG 2 2HD ARG 2 -13.287 -3.136 10.756 26 HD3 ARG 2 3HD ARG 2 -14.908 -3.849 10.620 27 HE ARG 2 HE ARG 2 -13.740 -4.736 13.061 28 HH11 ARG 2 1HH2 ARG 2 -14.976 -1.739 11.733 29 HH12 ARG 2 2HH2 ARG 2 -15.391 -1.106 13.303 30 HH21 ARG 2 1HH1 ARG 2 -14.296 -3.871 15.033 31 HH22 ARG 2 2HH1 ARG 2 -15.013 -2.289 15.119 32 H ARG 3 H ARG 3 -11.496 -8.786 9.262 33 HA ARG 3 HA ARG 3 -8.811 -7.656 9.967 34 HB2 ARG 3 2HB ARG 3 -10.287 -7.848 11.945 35 HB3 ARG 3 3HB ARG 3 -10.528 -9.565 11.609 36 HG2 ARG 3 2HG ARG 3 -8.129 -10.004 12.025 37 HG3 ARG 3 3HG ARG 3 -7.834 -8.268 12.224 38 HD2 ARG 3 2HD ARG 3 -7.933 -9.279 14.398 39 HD3 ARG 3 3HD ARG 3 -9.374 -8.269 14.190 40 HE ARG 3 HE ARG 3 -9.928 -10.987 13.401 41 HH11 ARG 3 1HH1 ARG 3 -9.449 -9.140 16.337 42 HH12 ARG 3 2HH1 ARG 3 -10.413 -10.234 17.292 43 HH21 ARG 3 1HH2 ARG 3 -11.156 -12.335 14.672 44 HH22 ARG 3 2HH2 ARG 3 -11.349 -11.995 16.366 45 H GLN 4 H GLN 4 -7.061 -8.939 9.718 46 HA GLN 4 HA GLN 4 -7.362 -11.619 8.412 47 HB2 GLN 4 2HB GLN 4 -5.074 -9.621 8.205 48 HB3 GLN 4 3HB GLN 4 -5.099 -11.239 7.496 49 HG2 GLN 4 2HG GLN 4 -7.121 -10.560 6.149 50 HG3 GLN 4 3HG GLN 4 -6.913 -8.909 6.748 51 HE21 GLN 4 1HE2 GLN 4 -4.609 -7.932 6.329 52 HE22 GLN 4 2HE2 GLN 4 -3.904 -8.355 4.767 53 H ARG 5 H ARG 5 -5.767 -13.229 9.016 54 HA ARG 5 HA ARG 5 -5.081 -13.235 11.859 55 HB2 ARG 5 2HB ARG 5 -5.506 -15.195 9.800 56 HB3 ARG 5 3HB ARG 5 -3.871 -15.430 10.366 57 HG2 ARG 5 2HG ARG 5 -6.415 -15.431 12.047 58 HG3 ARG 5 3HG ARG 5 -5.455 -16.834 11.584 59 HD2 ARG 5 2HD ARG 5 -4.653 -14.624 13.515 60 HD3 ARG 5 3HD ARG 5 -5.034 -16.287 13.917 61 HE ARG 5 HE ARG 5 -2.568 -15.227 12.663 62 HH11 ARG 5 1HH1 ARG 5 -4.227 -18.171 13.622 63 HH12 ARG 5 2HH1 ARG 5 -2.768 -19.122 13.548 64 HH21 ARG 5 1HH2 ARG 5 -0.757 -16.489 12.616 65 HH22 ARG 5 2HH2 ARG 5 -0.853 -18.186 12.988 66 H THR 6 H THR 6 -3.567 -11.772 9.363 67 HA THR 6 HA THR 6 -0.877 -11.759 10.637 68 HB THR 6 HB THR 6 0.103 -11.755 8.326 69 HG1 THR 6 1HG THR 6 -1.107 -12.046 6.642 70 HG21 THR 6 1HG2 THR 6 -1.470 -14.297 8.910 71 HG22 THR 6 2HG2 THR 6 0.069 -13.848 9.681 72 HG23 THR 6 3HG2 THR 6 0.004 -14.139 7.934 73 H HIS 7 H HIS 7 0.491 -9.952 9.711 74 HA HIS 7 HA HIS 7 -0.946 -7.424 9.709 75 HB2 HIS 7 2HB HIS 7 1.314 -6.463 9.455 76 HB3 HIS 7 3HB HIS 7 1.132 -7.525 10.842 77 HD2 HIS 7 2HD HIS 7 4.000 -6.916 9.990 78 HE1 HIS 7 1HE HIS 7 4.140 -10.778 8.185 79 HE2 HIS 7 2HE HIS 7 5.542 -8.848 9.077 80 H PHE 8 H PHE 8 0.571 -9.445 7.228 81 HA PHE 8 HA PHE 8 -0.897 -7.958 5.115 82 HB2 PHE 8 2HB PHE 8 1.988 -8.839 4.769 83 HB3 PHE 8 3HB PHE 8 1.009 -7.912 3.650 84 HD1 PHE 8 2HD PHE 8 0.617 -5.480 4.021 85 HD2 PHE 8 1HD PHE 8 3.181 -7.799 6.584 86 HE1 PHE 8 2HE PHE 8 1.678 -3.390 4.860 87 HE2 PHE 8 1HE PHE 8 4.211 -5.713 7.452 88 HZ PHE 8 HZ PHE 8 3.457 -3.506 6.593 89 H THR 9 H THR 9 -1.202 -9.236 3.163 90 HA THR 9 HA THR 9 -0.439 -12.123 3.312 91 HB THR 9 HB THR 9 -2.875 -11.848 3.714 92 HG1 THR 9 1HG THR 9 -3.354 -13.517 2.323 93 HG21 THR 9 1HG2 THR 9 -3.403 -9.996 2.168 94 HG22 THR 9 2HG2 THR 9 -4.359 -11.431 1.803 95 HG23 THR 9 3HG2 THR 9 -2.975 -11.013 0.773 96 H SER 10 H SER 10 -0.290 -13.176 1.155 97 HA SER 10 HA SER 10 1.796 -11.992 -0.235 98 HB2 SER 10 2HB SER 10 -0.108 -14.107 -1.308 99 HB3 SER 10 3HB SER 10 1.543 -13.788 -1.873 100 HG SER 10 HG SER 10 1.460 -15.526 -0.364 101 H GLN 11 H GLN 11 -1.659 -11.820 -1.161 102 HA GLN 11 HA GLN 11 -1.193 -10.589 -3.735 103 HB2 GLN 11 2HB GLN 11 -3.634 -10.586 -1.912 104 HB3 GLN 11 3HB GLN 11 -3.604 -9.960 -3.567 105 HG2 GLN 11 2HG GLN 11 -2.935 -12.204 -4.412 106 HG3 GLN 11 3HG GLN 11 -3.027 -12.850 -2.772 107 HE21 GLN 11 1HE2 GLN 11 -4.544 -14.242 -4.414 108 HE22 GLN 11 2HE2 GLN 11 -6.236 -13.778 -4.293 109 H GLN 12 H GLN 12 -1.582 -9.240 -0.460 110 HA GLN 12 HA GLN 12 -1.711 -6.448 -1.317 111 HB2 GLN 12 2HB GLN 12 -0.995 -7.672 1.384 112 HB3 GLN 12 3HB GLN 12 -1.308 -5.967 1.067 113 HG2 GLN 12 2HG GLN 12 -3.617 -6.449 0.427 114 HG3 GLN 12 3HG GLN 12 -3.369 -8.176 0.648 115 HE21 GLN 12 1HE2 GLN 12 -4.803 -5.658 2.139 116 HE22 GLN 12 2HE2 GLN 12 -4.614 -6.167 3.810 117 H LEU 13 H LEU 13 0.842 -8.653 -0.134 118 HA LEU 13 HA LEU 13 3.008 -6.769 -0.216 119 HB2 LEU 13 2HB LEU 13 2.939 -9.805 -0.460 120 HB3 LEU 13 3HB LEU 13 4.412 -8.870 -0.250 121 HG LEU 13 HG LEU 13 2.119 -8.870 1.765 122 HD11 LEU 13 1HD1 LEU 13 3.543 -10.338 3.122 123 HD12 LEU 13 2HD1 LEU 13 4.741 -10.414 1.809 124 HD13 LEU 13 3HD1 LEU 13 3.119 -11.109 1.588 125 HD21 LEU 13 3HD2 LEU 13 4.996 -7.887 1.952 126 HD22 LEU 13 1HD2 LEU 13 3.846 -7.954 3.298 127 HD23 LEU 13 2HD2 LEU 13 3.528 -6.870 1.945 128 H GLN 14 H GLN 14 1.750 -9.011 -2.719 129 HA GLN 14 HA GLN 14 3.688 -8.329 -4.719 130 HB2 GLN 14 2HB GLN 14 2.323 -10.378 -4.698 131 HB3 GLN 14 3HB GLN 14 0.861 -9.425 -4.989 132 HG2 GLN 14 2HG GLN 14 1.722 -8.736 -7.192 133 HG3 GLN 14 3HG GLN 14 3.263 -9.543 -6.868 134 HE21 GLN 14 1HE2 GLN 14 -0.284 -10.212 -7.218 135 HE22 GLN 14 2HE2 GLN 14 -0.034 -11.849 -7.807 136 H GLU 15 H GLU 15 0.420 -6.944 -4.016 137 HA GLU 15 HA GLU 15 0.548 -5.056 -6.198 138 HB2 GLU 15 2HB GLU 15 -1.531 -5.879 -5.018 139 HB3 GLU 15 3HB GLU 15 -1.082 -4.873 -3.642 140 HG2 GLU 15 2HG GLU 15 -2.734 -3.719 -4.982 141 HG3 GLU 15 3HG GLU 15 -1.213 -2.851 -5.115 142 H LEU 16 H LEU 16 1.639 -4.870 -2.788 143 HA LEU 16 HA LEU 16 2.497 -2.116 -2.968 144 HB2 LEU 16 2HB LEU 16 3.011 -4.418 -1.094 145 HB3 LEU 16 3HB LEU 16 4.044 -3.001 -1.010 146 HG LEU 16 HG LEU 16 1.030 -2.695 -0.911 147 HD11 LEU 16 1HD1 LEU 16 2.972 -3.114 1.403 148 HD12 LEU 16 2HD1 LEU 16 1.646 -4.196 0.928 149 HD13 LEU 16 3HD1 LEU 16 1.290 -2.582 1.566 150 HD21 LEU 16 3HD2 LEU 16 2.378 -0.648 -1.348 151 HD22 LEU 16 1HD2 LEU 16 3.328 -0.970 0.116 152 HD23 LEU 16 2HD2 LEU 16 1.596 -0.596 0.233 153 H GLU 17 H GLU 17 4.204 -5.213 -3.671 154 HA GLU 17 HA GLU 17 6.691 -3.984 -4.410 155 HB2 GLU 17 2HB GLU 17 6.583 -6.331 -3.993 156 HB3 GLU 17 3HB GLU 17 5.378 -6.590 -5.263 157 HG2 GLU 17 2HG GLU 17 6.950 -6.172 -7.006 158 HG3 GLU 17 3HG GLU 17 8.101 -5.424 -5.900 159 H ALA 18 H ALA 18 3.765 -4.682 -6.412 160 HA ALA 18 HA ALA 18 4.787 -3.495 -8.808 161 HB1 ALA 18 1HB ALA 18 2.427 -3.372 -9.469 162 HB2 ALA 18 2HB ALA 18 2.778 -4.935 -8.709 163 HB3 ALA 18 3HB ALA 18 1.915 -3.678 -7.797 164 H THR 19 H THR 19 3.031 -2.040 -6.033 165 HA THR 19 HA THR 19 2.936 0.631 -7.044 166 HB THR 19 HB THR 19 2.911 -0.366 -4.178 167 HG1 THR 19 1HG THR 19 1.220 -1.193 -5.277 168 HG21 THR 19 1HG2 THR 19 3.301 2.076 -4.213 169 HG22 THR 19 2HG2 THR 19 1.674 1.662 -3.661 170 HG23 THR 19 3HG2 THR 19 1.921 2.278 -5.317 171 H PHE 20 H PHE 20 5.486 -0.981 -5.104 172 HA PHE 20 HA PHE 20 7.201 1.293 -4.860 173 HB2 PHE 20 2HB PHE 20 7.359 -0.809 -3.577 174 HB3 PHE 20 3HB PHE 20 7.842 -1.676 -5.021 175 HD1 PHE 20 2HD PHE 20 8.857 1.110 -2.727 176 HD2 PHE 20 1HD PHE 20 10.146 -1.829 -5.607 177 HE1 PHE 20 2HE PHE 20 11.225 1.586 -2.150 178 HE2 PHE 20 1HE PHE 20 12.516 -1.383 -4.992 179 HZ PHE 20 HZ PHE 20 13.057 0.326 -3.271 180 H GLN 21 H GLN 21 6.865 -1.136 -7.494 181 HA GLN 21 HA GLN 21 8.956 0.081 -9.111 182 HB2 GLN 21 2HB GLN 21 6.762 -1.921 -9.754 183 HB3 GLN 21 3HB GLN 21 7.971 -1.388 -10.921 184 HG2 GLN 21 2HG GLN 21 8.624 -2.748 -8.263 185 HG3 GLN 21 3HG GLN 21 8.557 -3.548 -9.828 186 HE21 GLN 21 1HE2 GLN 21 10.186 -2.894 -11.499 187 HE22 GLN 21 2HE2 GLN 21 11.702 -2.200 -10.947 188 H ARG 22 H ARG 22 5.501 0.756 -8.781 189 HA ARG 22 HA ARG 22 5.366 2.610 -11.042 190 HB2 ARG 22 2HB ARG 22 3.675 2.403 -8.516 191 HB3 ARG 22 3HB ARG 22 3.339 3.496 -9.849 192 HG2 ARG 22 2HG ARG 22 2.887 1.684 -11.372 193 HG3 ARG 22 3HG ARG 22 3.484 0.484 -10.232 194 HD2 ARG 22 2HD ARG 22 1.639 1.302 -8.620 195 HD3 ARG 22 3HD ARG 22 0.966 2.165 -9.998 196 HE ARG 22 HE ARG 22 0.812 -0.059 -11.163 197 HH11 ARG 22 1HH1 ARG 22 0.737 -0.164 -7.571 198 HH12 ARG 22 2HH1 ARG 22 -0.058 -1.725 -7.673 199 HH21 ARG 22 1HH2 ARG 22 -0.253 -2.051 -10.959 200 HH22 ARG 22 2HH2 ARG 22 -0.572 -2.638 -9.322 201 H ASN 23 H ASN 23 5.970 3.049 -7.540 202 HA ASN 23 HA ASN 23 7.719 5.344 -8.087 203 HB2 ASN 23 2HB ASN 23 5.414 6.326 -7.966 204 HB3 ASN 23 3HB ASN 23 5.215 5.638 -6.356 205 HD21 ASN 23 1HD2 ASN 23 4.773 8.219 -6.405 206 HD22 ASN 23 2HD2 ASN 23 6.157 9.133 -5.820 207 H ARG 24 H ARG 24 9.478 5.069 -6.825 208 HA ARG 24 HA ARG 24 9.415 3.327 -4.443 209 HB2 ARG 24 2HB ARG 24 11.705 4.757 -5.849 210 HB3 ARG 24 3HB ARG 24 11.880 3.737 -4.411 211 HG2 ARG 24 2HG ARG 24 10.789 1.855 -5.669 212 HG3 ARG 24 3HG ARG 24 10.851 2.851 -7.135 213 HD2 ARG 24 2HD ARG 24 13.298 2.916 -7.016 214 HD3 ARG 24 3HD ARG 24 13.263 2.038 -5.471 215 HE ARG 24 HE ARG 24 11.851 0.568 -7.511 216 HH11 ARG 24 1HH1 ARG 24 15.136 1.186 -6.435 217 HH12 ARG 24 2HH1 ARG 24 15.706 -0.330 -7.070 218 HH21 ARG 24 1HH2 ARG 24 12.627 -1.330 -8.246 219 HH22 ARG 24 2HH2 ARG 24 14.326 -1.718 -8.086 220 H TYR 25 H TYR 25 8.985 6.656 -4.920 221 HA TYR 25 HA TYR 25 9.452 7.217 -2.027 222 HB2 TYR 25 2HB TYR 25 10.343 8.965 -4.345 223 HB3 TYR 25 3HB TYR 25 10.484 9.360 -2.638 224 HD1 TYR 25 2HD TYR 25 12.128 8.215 -1.184 225 HD2 TYR 25 1HD TYR 25 11.879 7.381 -5.411 226 HE1 TYR 25 2HE TYR 25 14.398 7.182 -1.119 227 HE2 TYR 25 1HE TYR 25 14.151 6.363 -5.346 228 HH TYR 25 HH TYR 25 15.987 5.892 -4.059 229 HA PRO 26 HA PRO 26 5.306 8.936 -3.529 230 HB2 PRO 26 2HB PRO 26 3.583 7.404 -2.071 231 HB3 PRO 26 3HB PRO 26 4.215 6.898 -3.670 232 HG2 PRO 26 2HG PRO 26 5.235 6.098 -0.926 233 HG3 PRO 26 3HG PRO 26 4.862 5.046 -2.324 234 HD2 PRO 26 2HD PRO 26 7.398 5.895 -1.768 235 HD3 PRO 26 3HD PRO 26 6.815 5.691 -3.447 236 H ASP 27 H ASP 27 4.108 10.441 -2.335 237 HA ASP 27 HA ASP 27 5.095 11.199 0.318 238 HB2 ASP 27 2HB ASP 27 3.880 13.155 0.071 239 HB3 ASP 27 3HB ASP 27 4.398 12.810 -1.576 240 H MET 28 H MET 28 3.386 11.732 2.047 241 HA MET 28 HA MET 28 2.325 9.233 2.875 242 HB2 MET 28 2HB MET 28 1.774 11.995 4.025 243 HB3 MET 28 3HB MET 28 1.494 10.451 4.838 244 HG2 MET 28 2HG MET 28 4.177 11.582 3.962 245 HG3 MET 28 3HG MET 28 3.586 11.460 5.610 246 HE1 MET 28 3HE MET 28 6.659 8.849 4.356 247 HE2 MET 28 1HE MET 28 6.024 10.074 3.236 248 HE3 MET 28 2HE MET 28 6.436 10.523 4.909 249 H SER 29 H SER 29 0.669 11.827 1.108 250 HA SER 29 HA SER 29 -1.992 10.697 1.669 251 HB2 SER 29 2HB SER 29 -2.890 12.339 0.250 252 HB3 SER 29 3HB SER 29 -1.664 13.123 1.249 253 HG SER 29 HG SER 29 -0.212 12.926 -0.571 254 H THR 30 H THR 30 0.423 10.473 -0.961 255 HA THR 30 HA THR 30 -1.137 8.725 -2.655 256 HB THR 30 HB THR 30 1.879 9.016 -2.370 257 HG1 THR 30 1HG THR 30 1.200 10.840 -3.216 258 HG21 THR 30 1HG2 THR 30 1.971 8.027 -4.650 259 HG22 THR 30 2HG2 THR 30 0.236 7.646 -4.545 260 HG23 THR 30 3HG2 THR 30 1.398 6.861 -3.453 261 H ARG 31 H ARG 31 1.182 8.067 0.020 262 HA ARG 31 HA ARG 31 0.939 5.210 -0.016 263 HB2 ARG 31 2HB ARG 31 1.544 7.120 2.282 264 HB3 ARG 31 3HB ARG 31 1.639 5.365 2.411 265 HG2 ARG 31 2HG ARG 31 3.355 5.282 0.634 266 HG3 ARG 31 3HG ARG 31 3.244 7.032 0.438 267 HD2 ARG 31 2HD ARG 31 3.801 7.098 3.015 268 HD3 ARG 31 3HD ARG 31 4.383 5.447 2.740 269 HE ARG 31 HE ARG 31 5.332 7.665 0.969 270 HH11 ARG 31 1HH2 ARG 31 6.291 5.489 3.543 271 HH12 ARG 31 2HH2 ARG 31 7.978 5.868 3.320 272 HH21 ARG 31 1HH1 ARG 31 7.361 8.081 0.739 273 HH22 ARG 31 2HH1 ARG 31 8.593 7.321 1.733 274 H GLU 32 H GLU 32 -1.095 7.639 1.670 275 HA GLU 32 HA GLU 32 -2.759 5.654 2.916 276 HB2 GLU 32 2HB GLU 32 -2.527 7.991 3.706 277 HB3 GLU 32 3HB GLU 32 -3.348 8.569 2.249 278 HG2 GLU 32 2HG GLU 32 -5.405 7.362 2.922 279 HG3 GLU 32 3HG GLU 32 -4.565 6.702 4.331 280 H GLU 33 H GLU 33 -3.102 7.334 -0.262 281 HA GLU 33 HA GLU 33 -5.646 6.131 -0.888 282 HB2 GLU 33 2HB GLU 33 -3.407 7.197 -2.641 283 HB3 GLU 33 3HB GLU 33 -4.900 6.527 -3.295 284 HG2 GLU 33 2HG GLU 33 -4.826 8.870 -1.351 285 HG3 GLU 33 3HG GLU 33 -4.856 9.034 -3.102 286 H ILE 34 H ILE 34 -2.276 5.003 -1.693 287 HA ILE 34 HA ILE 34 -3.330 2.577 -2.849 288 HB ILE 34 HB ILE 34 -1.122 1.742 -3.014 289 HG12 ILE 34 2HG1 ILE 34 0.825 3.331 -2.322 290 HG13 ILE 34 3HG1 ILE 34 -0.312 3.964 -1.146 291 HG21 ILE 34 1HG2 ILE 34 -1.084 4.717 -3.635 292 HG22 ILE 34 2HG2 ILE 34 -0.159 3.440 -4.435 293 HG23 ILE 34 3HG2 ILE 34 -1.919 3.484 -4.607 294 HD11 ILE 34 3HD1 ILE 34 0.301 0.991 -1.341 295 HD12 ILE 34 1HD1 ILE 34 1.322 2.110 -0.430 296 HD13 ILE 34 2HD1 ILE 34 -0.371 1.898 0.040 297 H ALA 35 H ALA 35 -2.668 3.425 0.493 298 HA ALA 35 HA ALA 35 -2.751 0.786 1.576 299 HB1 ALA 35 1HB ALA 35 -3.750 3.338 2.903 300 HB2 ALA 35 2HB ALA 35 -3.226 1.841 3.683 301 HB3 ALA 35 3HB ALA 35 -2.048 2.842 2.841 302 H VAL 36 H VAL 36 -5.498 3.126 1.031 303 HA VAL 36 HA VAL 36 -7.452 1.161 1.846 304 HB VAL 36 HB VAL 36 -9.168 2.603 0.923 305 HG11 VAL 36 1HG1 VAL 36 -7.094 4.152 2.521 306 HG12 VAL 36 2HG1 VAL 36 -8.832 4.489 2.421 307 HG13 VAL 36 3HG1 VAL 36 -8.269 2.995 3.194 308 HG21 VAL 36 3HG2 VAL 36 -8.710 4.790 -0.003 309 HG22 VAL 36 1HG2 VAL 36 -6.964 4.521 0.102 310 HG23 VAL 36 2HG2 VAL 36 -7.949 3.572 -1.030 311 H TRP 37 H TRP 37 -5.974 1.820 -1.317 312 HA TRP 37 HA TRP 37 -7.732 0.064 -2.794 313 HB2 TRP 37 2HB TRP 37 -4.891 0.907 -3.387 314 HB3 TRP 37 3HB TRP 37 -6.007 0.184 -4.537 315 HD1 TRP 37 1HD TRP 37 -8.209 2.440 -2.998 316 HE1 TRP 37 1HE TRP 37 -8.200 4.831 -3.912 317 HE3 TRP 37 3HE TRP 37 -3.897 2.205 -5.726 318 HZ2 TRP 37 2HZ TRP 37 -6.580 6.407 -5.721 319 HZ3 TRP 37 3HZ TRP 37 -3.139 4.173 -7.045 320 HH2 TRP 37 2HH TRP 37 -4.465 6.273 -7.048 321 H THR 38 H THR 38 -4.819 -0.570 -0.881 322 HA THR 38 HA THR 38 -4.866 -3.458 -1.604 323 HB THR 38 HB THR 38 -2.837 -3.615 -0.165 324 HG1 THR 38 1HG THR 38 -2.843 -0.797 -0.277 325 HG21 THR 38 1HG2 THR 38 -2.632 -3.337 -2.587 326 HG22 THR 38 2HG2 THR 38 -1.316 -2.519 -1.727 327 HG23 THR 38 3HG2 THR 38 -2.655 -1.570 -2.414 328 H ASN 39 H ASN 39 -6.535 -1.608 0.543 329 HA ASN 39 HA ASN 39 -7.586 -1.850 2.471 330 HB2 ASN 39 2HB ASN 39 -8.498 -3.825 1.085 331 HB3 ASN 39 3HB ASN 39 -7.517 -4.867 2.118 332 HD21 ASN 39 1HD2 ASN 39 -7.911 -4.463 4.575 333 HD22 ASN 39 2HD2 ASN 39 -9.609 -4.246 5.025 334 H LEU 40 H LEU 40 -5.182 -1.200 2.914 335 HA LEU 40 HA LEU 40 -4.350 -2.529 5.462 336 HB2 LEU 40 2HB LEU 40 -2.658 -1.229 3.281 337 HB3 LEU 40 3HB LEU 40 -2.032 -1.646 4.869 338 HG LEU 40 HG LEU 40 -3.141 -3.673 2.877 339 HD11 LEU 40 1HD1 LEU 40 -1.085 -2.605 2.085 340 HD12 LEU 40 2HD1 LEU 40 -0.777 -4.277 2.561 341 HD13 LEU 40 3HD1 LEU 40 -0.286 -2.943 3.632 342 HD21 LEU 40 3HD2 LEU 40 -1.646 -3.991 5.524 343 HD22 LEU 40 1HD2 LEU 40 -1.991 -5.306 4.388 344 HD23 LEU 40 2HD2 LEU 40 -3.328 -4.480 5.190 345 H THR 41 H THR 41 -3.038 -0.899 6.811 346 HA THR 41 HA THR 41 -4.384 1.753 6.852 347 HB THR 41 HB THR 41 -3.345 2.125 8.981 348 HG1 THR 41 1HG THR 41 -2.144 0.388 9.925 349 HG21 THR 41 1HG2 THR 41 -4.445 -0.718 8.993 350 HG22 THR 41 2HG2 THR 41 -5.442 0.755 8.957 351 HG23 THR 41 3HG2 THR 41 -4.395 0.428 10.349 352 H GLU 42 H GLU 42 -3.138 3.715 6.802 353 HA GLU 42 HA GLU 42 -0.880 3.701 5.031 354 HB2 GLU 42 2HB GLU 42 -0.696 6.057 5.486 355 HB3 GLU 42 3HB GLU 42 -2.358 5.573 5.185 356 HG2 GLU 42 2HG GLU 42 -2.775 6.947 6.928 357 HG3 GLU 42 3HG GLU 42 -2.479 5.497 7.872 358 H ALA 43 H ALA 43 -1.053 3.269 8.499 359 HA ALA 43 HA ALA 43 1.734 3.767 9.016 360 HB1 ALA 43 1HB ALA 43 1.242 2.696 11.188 361 HB2 ALA 43 2HB ALA 43 0.011 3.903 10.769 362 HB3 ALA 43 3HB ALA 43 -0.343 2.170 10.582 363 H ARG 44 H ARG 44 -0.142 0.718 8.402 364 HA ARG 44 HA ARG 44 2.147 -1.052 8.450 365 HB2 ARG 44 2HB ARG 44 -0.565 -1.241 7.091 366 HB3 ARG 44 3HB ARG 44 0.667 -2.501 6.965 367 HG2 ARG 44 2HG ARG 44 0.730 -2.715 9.443 368 HG3 ARG 44 3HG ARG 44 -0.566 -1.514 9.563 369 HD2 ARG 44 2HD ARG 44 -1.928 -3.019 8.009 370 HD3 ARG 44 3HD ARG 44 -0.668 -4.248 8.230 371 HE ARG 44 HE ARG 44 -1.698 -3.216 10.751 372 HH11 ARG 44 1HH1 ARG 44 -2.313 -5.678 8.325 373 HH12 ARG 44 2HH1 ARG 44 -3.498 -6.479 9.324 374 HH21 ARG 44 1HH2 ARG 44 -3.125 -4.362 12.002 375 HH22 ARG 44 2HH2 ARG 44 -3.894 -5.785 11.368 376 H VAL 45 H VAL 45 0.660 0.812 5.799 377 HA VAL 45 HA VAL 45 2.480 -0.048 3.750 378 HB VAL 45 HB VAL 45 0.785 2.441 4.091 379 HG11 VAL 45 1HG1 VAL 45 2.406 1.664 1.638 380 HG12 VAL 45 2HG1 VAL 45 1.177 2.953 1.734 381 HG13 VAL 45 3HG1 VAL 45 2.669 3.108 2.646 382 HG21 VAL 45 3HG2 VAL 45 0.612 -0.051 2.330 383 HG22 VAL 45 1HG2 VAL 45 -0.427 0.330 3.715 384 HG23 VAL 45 2HG2 VAL 45 -0.499 1.322 2.256 385 H ARG 46 H ARG 46 2.748 2.797 5.999 386 HA ARG 46 HA ARG 46 5.263 3.668 4.974 387 HB2 ARG 46 2HB ARG 46 3.707 4.953 6.424 388 HB3 ARG 46 3HB ARG 46 4.151 3.935 7.802 389 HG2 ARG 46 2HG ARG 46 6.509 4.712 7.606 390 HG3 ARG 46 3HG ARG 46 6.067 5.715 6.215 391 HD2 ARG 46 2HD ARG 46 4.965 5.992 9.043 392 HD3 ARG 46 3HD ARG 46 6.221 7.001 8.332 393 HE ARG 46 HE ARG 46 4.632 7.948 6.788 394 HH11 ARG 46 1HH2 ARG 46 3.027 6.052 9.280 395 HH12 ARG 46 2HH2 ARG 46 1.447 6.666 8.827 396 HH21 ARG 46 1HH1 ARG 46 2.627 8.746 6.379 397 HH22 ARG 46 2HH1 ARG 46 1.246 8.184 7.308 398 H VAL 47 H VAL 47 4.572 1.324 7.589 399 HA VAL 47 HA VAL 47 7.327 0.723 8.189 400 HB VAL 47 HB VAL 47 4.765 -0.870 8.559 401 HG11 VAL 47 1HG1 VAL 47 6.053 -2.284 10.152 402 HG12 VAL 47 2HG1 VAL 47 6.583 -2.516 8.488 403 HG13 VAL 47 3HG1 VAL 47 7.559 -1.520 9.598 404 HG21 VAL 47 3HG2 VAL 47 5.053 -0.240 10.916 405 HG22 VAL 47 1HG2 VAL 47 6.575 0.598 10.538 406 HG23 VAL 47 2HG2 VAL 47 5.034 1.221 9.924 407 H TRP 48 H TRP 48 5.062 -0.743 5.790 408 HA TRP 48 HA TRP 48 6.911 -2.693 4.838 409 HB2 TRP 48 2HB TRP 48 4.469 -2.694 4.385 410 HB3 TRP 48 3HB TRP 48 4.681 -1.331 3.290 411 HD1 TRP 48 1HD TRP 48 5.089 -5.067 3.540 412 HE1 TRP 48 1HE TRP 48 5.846 -6.062 1.297 413 HE3 TRP 48 3HE TRP 48 6.031 -0.725 0.986 414 HZ2 TRP 48 2HZ TRP 48 6.803 -5.107 -1.253 415 HZ3 TRP 48 3HZ TRP 48 6.896 -0.793 -1.326 416 HH2 TRP 48 2HH TRP 48 7.305 -2.971 -2.453 417 H PHE 49 H PHE 49 6.298 0.657 3.594 418 HA PHE 49 HA PHE 49 8.312 0.527 1.562 419 HB2 PHE 49 2HB PHE 49 6.737 2.705 2.886 420 HB3 PHE 49 3HB PHE 49 8.223 3.174 2.088 421 HD1 PHE 49 1HD PHE 49 4.876 1.656 1.502 422 HD2 PHE 49 2HD PHE 49 8.500 3.137 -0.306 423 HE1 PHE 49 1HE PHE 49 3.782 1.617 -0.724 424 HE2 PHE 49 2HE PHE 49 7.393 3.109 -2.530 425 HZ PHE 49 HZ PHE 49 5.042 2.342 -2.743 426 H LYS 50 H LYS 50 8.579 1.560 4.994 427 HA LYS 50 HA LYS 50 11.333 2.330 4.906 428 HB2 LYS 50 2HB LYS 50 9.724 2.818 6.741 429 HB3 LYS 50 3HB LYS 50 9.742 1.113 7.211 430 HG2 LYS 50 2HG LYS 50 12.164 1.276 7.719 431 HG3 LYS 50 3HG LYS 50 12.166 2.970 7.187 432 HD2 LYS 50 2HD LYS 50 10.492 3.502 8.962 433 HD3 LYS 50 3HD LYS 50 10.564 1.833 9.534 434 HE2 LYS 50 2HE LYS 50 12.936 3.759 9.416 435 HE3 LYS 50 3HE LYS 50 11.942 3.487 10.849 436 HZ1 LYS 50 3HZ LYS 50 13.926 2.125 10.930 437 HZ2 LYS 50 1HZ LYS 50 13.585 1.405 9.510 438 HZ3 LYS 50 2HZ LYS 50 12.628 1.146 10.814 439 H ASN 51 H ASN 51 9.870 -0.879 5.500 440 HA ASN 51 HA ASN 51 12.410 -2.262 5.780 441 HB2 ASN 51 2HB ASN 51 9.539 -3.138 5.299 442 HB3 ASN 51 3HB ASN 51 10.866 -4.283 5.158 443 HD21 ASN 51 1HD2 ASN 51 9.199 -2.135 7.456 444 HD22 ASN 51 2HD2 ASN 51 9.852 -2.952 8.878 445 H ARG 52 H ARG 52 10.221 -1.815 2.949 446 HA ARG 52 HA ARG 52 11.754 -3.307 1.102 447 HB2 ARG 52 2HB ARG 52 9.388 -2.474 0.804 448 HB3 ARG 52 3HB ARG 52 10.026 -0.849 0.558 449 HG2 ARG 52 2HG ARG 52 9.552 -1.786 -1.590 450 HG3 ARG 52 3HG ARG 52 11.307 -1.707 -1.441 451 HD2 ARG 52 2HD ARG 52 11.340 -4.136 -0.839 452 HD3 ARG 52 3HD ARG 52 9.573 -4.170 -0.999 453 HE ARG 52 HE ARG 52 11.104 -3.223 -3.345 454 HH11 ARG 52 1HH1 ARG 52 9.492 -6.036 -1.920 455 HH12 ARG 52 2HH1 ARG 52 9.457 -6.836 -3.495 456 HH21 ARG 52 1HH2 ARG 52 11.062 -4.490 -5.246 457 HH22 ARG 52 2HH2 ARG 52 10.250 -6.053 -5.158 458 H ARG 53 H ARG 53 12.009 0.157 1.917 459 HA ARG 53 HA ARG 53 14.123 0.827 0.128 460 HB2 ARG 53 2HB ARG 53 12.703 2.409 1.410 461 HB3 ARG 53 3HB ARG 53 13.544 1.990 2.896 462 HG2 ARG 53 2HG ARG 53 15.009 3.075 0.448 463 HG3 ARG 53 3HG ARG 53 14.190 4.138 1.594 464 HD2 ARG 53 2HD ARG 53 15.581 3.271 3.442 465 HD3 ARG 53 3HD ARG 53 16.474 2.253 2.294 466 HE ARG 53 HE ARG 53 16.557 4.901 1.314 467 HH11 ARG 53 1HH1 ARG 53 17.854 3.166 4.071 468 HH12 ARG 53 2HH1 ARG 53 19.227 4.227 4.205 469 HH21 ARG 53 1HH2 ARG 53 18.329 6.221 1.553 470 HH22 ARG 53 2HH2 ARG 53 19.483 5.907 2.813 471 H ALA 54 H ALA 54 14.370 -0.437 3.505 472 HA ALA 54 HA ALA 54 17.254 -0.525 3.429 473 HB1 ALA 54 1HB ALA 54 15.959 -0.384 5.513 474 HB2 ALA 54 2HB ALA 54 15.282 -2.007 5.214 475 HB3 ALA 54 3HB ALA 54 17.027 -1.805 5.497 476 H LYS 55 H LYS 55 14.783 -2.971 2.585 477 HA LYS 55 HA LYS 55 16.608 -5.164 2.173 478 HB2 LYS 55 2HB LYS 55 13.815 -4.543 1.148 479 HB3 LYS 55 3HB LYS 55 14.670 -6.028 0.716 480 HG2 LYS 55 2HG LYS 55 14.860 -6.718 3.019 481 HG3 LYS 55 3HG LYS 55 14.198 -5.190 3.608 482 HD2 LYS 55 2HD LYS 55 12.051 -5.670 2.446 483 HD3 LYS 55 3HD LYS 55 12.683 -7.234 1.914 484 HE2 LYS 55 2HE LYS 55 12.390 -6.355 4.829 485 HE3 LYS 55 3HE LYS 55 11.190 -7.307 3.950 486 HZ1 LYS 55 3HZ LYS 55 12.635 -8.745 5.238 487 HZ2 LYS 55 1HZ LYS 55 13.976 -8.183 4.503 488 HZ3 LYS 55 2HZ LYS 55 12.876 -9.047 3.654 489 H TRP 56 H TRP 56 15.893 -2.408 0.145 490 HA TRP 56 HA TRP 56 17.536 -3.512 -2.073 491 HB2 TRP 56 2HB TRP 56 15.539 -2.260 -2.649 492 HB3 TRP 56 3HB TRP 56 16.079 -0.882 -1.703 493 HD1 TRP 56 1HD TRP 56 18.232 -2.820 -4.276 494 HE1 TRP 56 1HE TRP 56 18.949 -1.221 -6.144 495 HE3 TRP 56 3HE TRP 56 15.612 1.337 -2.822 496 HZ2 TRP 56 2HZ TRP 56 18.509 1.540 -6.873 497 HZ3 TRP 56 3HZ TRP 56 15.754 3.432 -4.148 498 HH2 TRP 56 2HH TRP 56 17.208 3.552 -6.164 499 H ARG 57 H ARG 57 17.650 -0.701 0.157 500 HA ARG 57 HA ARG 57 20.509 -0.251 -0.332 501 HB2 ARG 57 2HB ARG 57 18.622 1.545 -0.075 502 HB3 ARG 57 3HB ARG 57 18.736 1.220 1.644 503 HG2 ARG 57 2HG ARG 57 20.234 2.946 1.529 504 HG3 ARG 57 3HG ARG 57 21.368 1.644 1.194 505 HD2 ARG 57 2HD ARG 57 20.032 3.524 -0.795 506 HD3 ARG 57 3HD ARG 57 21.732 3.478 -0.351 507 HE ARG 57 HE ARG 57 21.994 1.345 -1.490 508 HH11 ARG 57 1HH2 ARG 57 19.052 3.048 -2.369 509 HH12 ARG 57 2HH2 ARG 57 18.753 2.019 -3.738 510 HH21 ARG 57 1HH1 ARG 57 21.544 0.039 -3.170 511 HH22 ARG 57 2HH1 ARG 57 20.126 0.318 -4.161 512 H LYS 58 H LYS 58 20.529 -2.618 0.489 513 HA LYS 58 HA LYS 58 20.505 -3.342 3.203 514 HB2 LYS 58 2HB LYS 58 22.274 -4.415 0.958 515 HB3 LYS 58 3HB LYS 58 22.008 -5.213 2.508 516 HG2 LYS 58 2HG LYS 58 19.563 -5.369 2.001 517 HG3 LYS 58 3HG LYS 58 19.877 -4.661 0.402 518 HD2 LYS 58 2HD LYS 58 21.421 -6.539 -0.125 519 HD3 LYS 58 3HD LYS 58 21.086 -7.254 1.468 520 HE2 LYS 58 2HE LYS 58 18.670 -7.412 0.868 521 HE3 LYS 58 3HE LYS 58 19.026 -6.730 -0.721 522 HZ1 LYS 58 3HZ LYS 58 20.115 -9.299 0.307 523 HZ2 LYS 58 1HZ LYS 58 20.446 -8.664 -1.163 524 HZ3 LYS 58 2HZ LYS 58 18.931 -9.152 -0.805 525 H ARG 59 H ARG 59 22.186 -3.914 4.656 526 HA ARG 59 HA ARG 59 24.338 -1.978 5.038 527 HB2 ARG 59 2HB ARG 59 23.769 -4.665 6.370 528 HB3 ARG 59 3HB ARG 59 25.048 -3.548 6.859 529 HG2 ARG 59 2HG ARG 59 23.358 -1.794 7.341 530 HG3 ARG 59 3HG ARG 59 22.062 -2.921 6.891 531 HD2 ARG 59 2HD ARG 59 22.783 -4.471 8.681 532 HD3 ARG 59 3HD ARG 59 24.074 -3.340 9.140 533 HE ARG 59 HE ARG 59 21.622 -1.915 9.190 534 HH11 ARG 59 1HH1 ARG 59 23.109 -4.498 11.031 535 HH12 ARG 59 2HH1 ARG 59 22.221 -4.102 12.479 536 HH21 ARG 59 1HH2 ARG 59 20.523 -1.463 11.068 537 HH22 ARG 59 2HH2 ARG 59 20.798 -2.426 12.490 538 H GLU 60 H GLU 60 26.539 -2.335 4.912 539 HA GLU 60 HA GLU 60 28.444 -2.805 3.794 540 HB2 GLU 60 2HB GLU 60 27.542 -5.696 3.977 541 HB3 GLU 60 3HB GLU 60 29.184 -5.116 3.681 542 HG2 GLU 60 2HG GLU 60 29.162 -3.955 5.890 543 HG3 GLU 60 3HG GLU 60 27.569 -4.640 6.219 544 H GLU 61 H GLU 61 26.151 -2.134 2.091 545 HA GLU 61 HA GLU 61 26.402 -3.484 -0.442 546 HB2 GLU 61 2HB GLU 61 24.446 -2.175 0.155 547 HB3 GLU 61 3HB GLU 61 25.422 -0.705 0.300 548 HG2 GLU 61 2HG GLU 61 25.892 -0.766 -2.118 549 HG3 GLU 61 3HG GLU 61 25.040 -2.308 -2.263 550 H PHE 62 H PHE 62 27.744 -3.158 -2.154 551 HA PHE 62 HA PHE 62 30.244 -1.710 -1.671 552 HB2 PHE 62 2HB PHE 62 31.053 -2.901 -3.626 553 HB3 PHE 62 3HB PHE 62 30.319 -3.991 -2.470 554 HD1 PHE 62 2HD PHE 62 29.917 -2.387 -5.804 555 HD2 PHE 62 1HD PHE 62 28.328 -5.286 -3.030 556 HE1 PHE 62 2HE PHE 62 28.456 -3.304 -7.592 557 HE2 PHE 62 1HE PHE 62 26.870 -6.197 -4.821 558 HZ PHE 62 HZ PHE 62 26.931 -5.206 -7.103 559 H ILE 63 H ILE 63 31.296 -0.471 -3.378 560 HA ILE 63 HA ILE 63 29.463 1.155 -5.087 561 HB ILE 63 HB ILE 63 31.854 2.225 -3.542 562 HG12 ILE 63 2HG1 ILE 63 28.865 2.681 -3.091 563 HG13 ILE 63 3HG1 ILE 63 29.939 1.763 -2.034 564 HG21 ILE 63 1HG2 ILE 63 29.799 3.663 -5.295 565 HG22 ILE 63 2HG2 ILE 63 31.139 4.427 -4.414 566 HG23 ILE 63 3HG2 ILE 63 31.493 3.349 -5.739 567 HD11 ILE 63 3HD1 ILE 63 31.275 3.848 -1.623 568 HD12 ILE 63 1HD1 ILE 63 30.013 4.759 -2.494 569 HD13 ILE 63 2HD1 ILE 63 29.607 3.879 -1.017 570 H VAL 64 H VAL 64 30.111 1.415 -7.152 571 HA VAL 64 HA VAL 64 32.201 -0.417 -8.073 572 HB VAL 64 HB VAL 64 31.214 -0.124 -10.292 573 HG11 VAL 64 1HG1 VAL 64 30.302 -1.795 -8.722 574 HG12 VAL 64 2HG1 VAL 64 29.101 -0.613 -8.156 575 HG13 VAL 64 3HG1 VAL 64 29.078 -1.173 -9.839 576 HG21 VAL 64 3HG2 VAL 64 29.223 1.784 -8.974 577 HG22 VAL 64 1HG2 VAL 64 30.493 2.257 -10.126 578 HG23 VAL 64 2HG2 VAL 64 29.186 1.184 -10.641 579 H THR 65 H THR 65 32.614 2.643 -7.159 580 HA THR 65 HA THR 65 34.870 3.125 -8.985 581 HB THR 65 HB THR 65 32.899 4.183 -10.070 582 HG1 THR 65 1HG THR 65 33.970 6.097 -10.458 583 HG21 THR 65 1HG2 THR 65 31.950 6.245 -9.191 584 HG22 THR 65 2HG2 THR 65 32.922 6.115 -7.710 585 HG23 THR 65 3HG2 THR 65 31.645 4.926 -8.053 586 H ASP 66 H ASP 66 36.194 4.987 -8.272 587 HA ASP 66 HA ASP 66 36.117 5.688 -5.405 588 HB2 ASP 66 2HB ASP 66 37.299 3.535 -5.421 589 HB3 ASP 66 3HB ASP 66 38.414 4.126 -6.647 Start of MODEL 12 1 H1 GLY -1 1H GLY -1 -9.980 6.036 20.917 2 H2 GLY -1 2H GLY -1 -9.284 4.744 20.185 3 H3 GLY -1 3H GLY -1 -9.810 4.624 21.731 4 HA2 GLY -1 2HA GLY -1 -12.097 4.905 21.048 5 HA3 GLY -1 3HA GLY -1 -11.532 5.056 19.374 6 H SER 0 H SER 0 -13.391 3.142 20.429 7 HA SER 0 HA SER 0 -14.007 1.002 20.374 8 HB2 SER 0 2HB SER 0 -13.035 1.053 18.118 9 HB3 SER 0 3HB SER 0 -11.513 0.408 18.763 10 HG SER 0 HG SER 0 -13.135 -1.130 17.878 11 H GLN 1 H GLN 1 -13.743 -1.132 21.148 12 HA GLN 1 HA GLN 1 -11.874 -1.397 23.456 13 HB2 GLN 1 2HB GLN 1 -14.335 -2.995 22.646 14 HB3 GLN 1 3HB GLN 1 -13.321 -3.328 24.055 15 HG2 GLN 1 2HG GLN 1 -13.832 -1.065 24.964 16 HG3 GLN 1 3HG GLN 1 -14.901 -0.759 23.590 17 HE21 GLN 1 1HE2 GLN 1 -14.460 -2.865 26.481 18 HE22 GLN 1 2HE2 GLN 1 -16.162 -3.294 26.583 19 H ARG 2 H ARG 2 -11.989 -2.280 20.183 20 HA ARG 2 HA ARG 2 -10.832 -4.932 20.280 21 HB2 ARG 2 2HB ARG 2 -10.936 -2.801 18.104 22 HB3 ARG 2 3HB ARG 2 -10.224 -4.398 17.867 23 HG2 ARG 2 2HG ARG 2 -12.385 -5.467 18.496 24 HG3 ARG 2 3HG ARG 2 -13.125 -3.859 18.641 25 HD2 ARG 2 2HD ARG 2 -12.600 -3.406 16.263 26 HD3 ARG 2 3HD ARG 2 -11.842 -5.006 16.125 27 HE ARG 2 HE ARG 2 -14.512 -5.315 17.098 28 HH11 ARG 2 1HH1 ARG 2 -12.910 -4.482 14.095 29 HH12 ARG 2 2HH1 ARG 2 -14.224 -5.083 13.120 30 HH21 ARG 2 1HH2 ARG 2 -16.151 -6.064 15.797 31 HH22 ARG 2 2HH2 ARG 2 -16.009 -5.951 14.066 32 H ARG 3 H ARG 3 -8.785 -5.620 19.820 33 HA ARG 3 HA ARG 3 -6.494 -3.720 19.984 34 HB2 ARG 3 2HB ARG 3 -7.291 -5.004 22.280 35 HB3 ARG 3 3HB ARG 3 -6.254 -6.240 21.594 36 HG2 ARG 3 2HG ARG 3 -4.712 -5.089 22.846 37 HG3 ARG 3 3HG ARG 3 -4.528 -4.200 21.338 38 HD2 ARG 3 2HD ARG 3 -6.133 -3.393 23.800 39 HD3 ARG 3 3HD ARG 3 -4.633 -2.668 23.232 40 HE ARG 3 HE ARG 3 -7.243 -2.543 21.729 41 HH11 ARG 3 1HH1 ARG 3 -4.388 -0.775 22.771 42 HH12 ARG 3 2HH1 ARG 3 -4.887 0.653 21.904 43 HH21 ARG 3 1HH2 ARG 3 -7.767 -0.810 20.671 44 HH22 ARG 3 2HH2 ARG 3 -6.795 0.648 20.741 45 H GLN 4 H GLN 4 -7.880 -5.937 18.176 46 HA GLN 4 HA GLN 4 -5.800 -7.745 17.404 47 HB2 GLN 4 2HB GLN 4 -8.335 -6.791 15.986 48 HB3 GLN 4 3HB GLN 4 -7.276 -8.064 15.397 49 HG2 GLN 4 2HG GLN 4 -8.998 -9.226 16.432 50 HG3 GLN 4 3HG GLN 4 -7.667 -9.320 17.571 51 HE21 GLN 4 1HE2 GLN 4 -9.822 -10.003 18.808 52 HE22 GLN 4 2HE2 GLN 4 -10.585 -8.683 19.682 53 H ARG 5 H ARG 5 -4.659 -7.818 15.382 54 HA ARG 5 HA ARG 5 -3.796 -5.121 14.381 55 HB2 ARG 5 2HB ARG 5 -2.103 -7.570 15.014 56 HB3 ARG 5 3HB ARG 5 -1.508 -6.102 14.236 57 HG2 ARG 5 2HG ARG 5 -2.160 -4.770 16.237 58 HG3 ARG 5 3HG ARG 5 -2.690 -6.244 17.054 59 HD2 ARG 5 2HD ARG 5 0.140 -5.727 16.056 60 HD3 ARG 5 3HD ARG 5 -0.412 -5.479 17.721 61 HE ARG 5 HE ARG 5 -1.084 -8.127 17.093 62 HH11 ARG 5 1HH1 ARG 5 1.905 -6.328 17.416 63 HH12 ARG 5 2HH1 ARG 5 2.814 -7.744 17.867 64 HH21 ARG 5 1HH2 ARG 5 0.137 -9.894 17.665 65 HH22 ARG 5 2HH2 ARG 5 1.831 -9.705 18.006 66 H THR 6 H THR 6 -3.453 -4.812 12.291 67 HA THR 6 HA THR 6 -4.366 -6.755 10.316 68 HB THR 6 HB THR 6 -3.014 -4.075 9.859 69 HG1 THR 6 1HG THR 6 -5.773 -4.655 10.130 70 HG21 THR 6 1HG2 THR 6 -3.206 -5.307 7.771 71 HG22 THR 6 2HG2 THR 6 -4.418 -4.024 7.800 72 HG23 THR 6 3HG2 THR 6 -4.908 -5.704 8.114 73 H HIS 7 H HIS 7 -3.150 -7.787 8.718 74 HA HIS 7 HA HIS 7 -0.219 -7.442 8.611 75 HB2 HIS 7 2HB HIS 7 -0.580 -9.280 10.233 76 HB3 HIS 7 3HB HIS 7 -1.537 -10.152 9.031 77 HD2 HIS 7 2HD HIS 7 -0.062 -12.154 8.297 78 HE1 HIS 7 1HE HIS 7 3.633 -10.136 7.609 79 HE2 HIS 7 2HE HIS 7 2.420 -12.368 7.437 80 H PHE 8 H PHE 8 0.717 -8.254 6.658 81 HA PHE 8 HA PHE 8 -1.000 -7.677 4.382 82 HB2 PHE 8 2HB PHE 8 1.896 -8.546 4.284 83 HB3 PHE 8 3HB PHE 8 0.996 -7.609 3.105 84 HD1 PHE 8 2HD PHE 8 2.777 -7.530 6.347 85 HD2 PHE 8 1HD PHE 8 0.725 -5.188 3.366 86 HE1 PHE 8 2HE PHE 8 3.702 -5.454 7.342 87 HE2 PHE 8 1HE PHE 8 1.672 -3.110 4.355 88 HZ PHE 8 HZ PHE 8 3.155 -3.245 6.347 89 H THR 9 H THR 9 -1.879 -9.081 2.919 90 HA THR 9 HA THR 9 -1.327 -11.981 3.037 91 HB THR 9 HB THR 9 -2.947 -12.222 1.284 92 HG1 THR 9 1HG THR 9 -3.997 -10.346 0.473 93 HG21 THR 9 1HG2 THR 9 -4.026 -10.157 3.241 94 HG22 THR 9 2HG2 THR 9 -3.841 -11.891 3.580 95 HG23 THR 9 3HG2 THR 9 -4.956 -11.351 2.314 96 H SER 10 H SER 10 -0.773 -13.167 0.955 97 HA SER 10 HA SER 10 1.646 -12.255 -0.255 98 HB2 SER 10 2HB SER 10 1.204 -14.095 -1.889 99 HB3 SER 10 3HB SER 10 1.097 -14.596 -0.192 100 HG SER 10 HG SER 10 -0.663 -15.394 -1.443 101 H GLN 11 H GLN 11 -1.746 -11.882 -1.267 102 HA GLN 11 HA GLN 11 -1.165 -10.688 -3.839 103 HB2 GLN 11 2HB GLN 11 -3.658 -10.595 -2.092 104 HB3 GLN 11 3HB GLN 11 -3.552 -9.992 -3.754 105 HG2 GLN 11 2HG GLN 11 -2.938 -12.271 -4.546 106 HG3 GLN 11 3HG GLN 11 -3.095 -12.889 -2.900 107 HE21 GLN 11 1HE2 GLN 11 -4.612 -14.272 -4.520 108 HE22 GLN 11 2HE2 GLN 11 -6.290 -13.751 -4.472 109 H GLN 12 H GLN 12 -1.865 -9.270 -0.592 110 HA GLN 12 HA GLN 12 -1.703 -6.523 -1.444 111 HB2 GLN 12 2HB GLN 12 -1.322 -7.927 1.217 112 HB3 GLN 12 3HB GLN 12 -1.191 -6.177 1.050 113 HG2 GLN 12 2HG GLN 12 -3.455 -5.959 0.277 114 HG3 GLN 12 3HG GLN 12 -3.674 -7.700 0.153 115 HE21 GLN 12 1HE2 GLN 12 -5.204 -5.682 1.768 116 HE22 GLN 12 2HE2 GLN 12 -5.100 -6.290 3.414 117 H LEU 13 H LEU 13 0.818 -8.793 -0.254 118 HA LEU 13 HA LEU 13 2.986 -6.899 -0.374 119 HB2 LEU 13 2HB LEU 13 2.880 -9.937 -0.543 120 HB3 LEU 13 3HB LEU 13 4.387 -9.030 -0.505 121 HG LEU 13 HG LEU 13 2.293 -8.893 1.703 122 HD11 LEU 13 1HD1 LEU 13 3.241 -11.154 1.525 123 HD12 LEU 13 2HD1 LEU 13 3.811 -10.333 2.985 124 HD13 LEU 13 3HD1 LEU 13 4.887 -10.479 1.575 125 HD21 LEU 13 3HD2 LEU 13 3.732 -6.911 1.680 126 HD22 LEU 13 1HD2 LEU 13 5.183 -7.943 1.579 127 HD23 LEU 13 2HD2 LEU 13 4.165 -7.949 3.036 128 H GLN 14 H GLN 14 1.679 -9.148 -2.866 129 HA GLN 14 HA GLN 14 3.601 -8.470 -4.876 130 HB2 GLN 14 2HB GLN 14 2.138 -10.465 -4.904 131 HB3 GLN 14 3HB GLN 14 0.726 -9.435 -5.183 132 HG2 GLN 14 2HG GLN 14 1.677 -8.690 -7.343 133 HG3 GLN 14 3HG GLN 14 3.139 -9.639 -7.042 134 HE21 GLN 14 1HE2 GLN 14 2.909 -12.056 -6.997 135 HE22 GLN 14 2HE2 GLN 14 1.563 -12.771 -7.872 136 H GLU 15 H GLU 15 0.387 -7.013 -4.120 137 HA GLU 15 HA GLU 15 0.494 -5.011 -6.187 138 HB2 GLU 15 2HB GLU 15 -0.974 -5.154 -3.528 139 HB3 GLU 15 3HB GLU 15 -1.159 -3.809 -4.649 140 HG2 GLU 15 2HG GLU 15 -1.737 -6.706 -5.399 141 HG3 GLU 15 3HG GLU 15 -2.942 -5.578 -4.795 142 H LEU 16 H LEU 16 1.670 -4.923 -2.776 143 HA LEU 16 HA LEU 16 2.601 -2.203 -2.938 144 HB2 LEU 16 2HB LEU 16 3.105 -4.548 -1.109 145 HB3 LEU 16 3HB LEU 16 4.102 -3.112 -0.971 146 HG LEU 16 HG LEU 16 1.090 -2.831 -0.934 147 HD11 LEU 16 1HD1 LEU 16 1.668 -4.443 0.847 148 HD12 LEU 16 2HD1 LEU 16 1.264 -2.871 1.557 149 HD13 LEU 16 3HD1 LEU 16 2.962 -3.372 1.426 150 HD21 LEU 16 3HD2 LEU 16 1.598 -0.809 0.339 151 HD22 LEU 16 1HD2 LEU 16 2.456 -0.779 -1.208 152 HD23 LEU 16 2HD2 LEU 16 3.335 -1.170 0.287 153 H GLU 17 H GLU 17 4.277 -5.307 -3.685 154 HA GLU 17 HA GLU 17 6.793 -4.089 -4.370 155 HB2 GLU 17 2HB GLU 17 5.416 -6.687 -5.115 156 HB3 GLU 17 3HB GLU 17 6.919 -6.224 -5.899 157 HG2 GLU 17 2HG GLU 17 6.622 -6.420 -2.877 158 HG3 GLU 17 3HG GLU 17 7.181 -7.739 -3.905 159 H ALA 18 H ALA 18 3.873 -4.682 -6.401 160 HA ALA 18 HA ALA 18 5.022 -3.569 -8.801 161 HB1 ALA 18 1HB ALA 18 2.116 -3.762 -7.895 162 HB2 ALA 18 2HB ALA 18 2.681 -3.449 -9.548 163 HB3 ALA 18 3HB ALA 18 3.021 -5.011 -8.778 164 H THR 19 H THR 19 3.183 -2.115 -6.107 165 HA THR 19 HA THR 19 3.049 0.563 -7.083 166 HB THR 19 HB THR 19 3.171 -0.402 -4.199 167 HG1 THR 19 1HG THR 19 1.476 -1.363 -5.296 168 HG21 THR 19 1HG2 THR 19 1.820 2.090 -5.297 169 HG22 THR 19 2HG2 THR 19 3.386 2.111 -4.468 170 HG23 THR 19 3HG2 THR 19 1.945 1.547 -3.601 171 H PHE 20 H PHE 20 5.568 -1.021 -5.027 172 HA PHE 20 HA PHE 20 7.293 1.234 -4.820 173 HB2 PHE 20 2HB PHE 20 7.447 -0.782 -3.417 174 HB3 PHE 20 3HB PHE 20 7.964 -1.733 -4.802 175 HD1 PHE 20 2HD PHE 20 8.923 0.976 -2.445 176 HD2 PHE 20 1HD PHE 20 10.267 -1.586 -5.640 177 HE1 PHE 20 2HE PHE 20 11.258 1.720 -2.060 178 HE2 PHE 20 1HE PHE 20 12.607 -0.853 -5.238 179 HZ PHE 20 HZ PHE 20 13.100 0.822 -3.463 180 H GLN 21 H GLN 21 7.217 -1.390 -7.296 181 HA GLN 21 HA GLN 21 9.485 -0.447 -8.754 182 HB2 GLN 21 2HB GLN 21 7.107 -2.171 -9.507 183 HB3 GLN 21 3HB GLN 21 8.402 -1.804 -10.652 184 HG2 GLN 21 2HG GLN 21 10.080 -2.843 -9.265 185 HG3 GLN 21 3HG GLN 21 8.956 -3.029 -7.918 186 HE21 GLN 21 1HE2 GLN 21 7.189 -4.545 -8.124 187 HE22 GLN 21 2HE2 GLN 21 7.330 -5.910 -9.247 188 H ARG 22 H ARG 22 6.106 0.603 -8.893 189 HA ARG 22 HA ARG 22 6.558 2.410 -11.180 190 HB2 ARG 22 2HB ARG 22 4.245 2.089 -9.219 191 HB3 ARG 22 3HB ARG 22 4.246 3.234 -10.554 192 HG2 ARG 22 2HG ARG 22 4.478 0.210 -10.884 193 HG3 ARG 22 3HG ARG 22 2.993 1.152 -11.041 194 HD2 ARG 22 2HD ARG 22 4.032 2.443 -12.905 195 HD3 ARG 22 3HD ARG 22 5.476 1.411 -12.787 196 HE ARG 22 HE ARG 22 3.216 -0.280 -13.064 197 HH11 ARG 22 2HH1 ARG 22 4.964 2.009 -15.059 198 HH12 ARG 22 1HH1 ARG 22 4.508 1.208 -16.538 199 HH21 ARG 22 1HH2 ARG 22 2.668 -1.250 -14.986 200 HH22 ARG 22 2HH2 ARG 22 3.241 -0.589 -16.489 201 H ASN 23 H ASN 23 6.385 2.830 -7.630 202 HA ASN 23 HA ASN 23 7.899 5.358 -7.945 203 HB2 ASN 23 2HB ASN 23 5.482 5.969 -7.931 204 HB3 ASN 23 3HB ASN 23 5.297 5.183 -6.362 205 HD21 ASN 23 1HD2 ASN 23 4.552 7.784 -6.516 206 HD22 ASN 23 2HD2 ASN 23 5.766 8.810 -5.764 207 H ARG 24 H ARG 24 9.614 5.210 -6.714 208 HA ARG 24 HA ARG 24 9.741 3.349 -4.404 209 HB2 ARG 24 2HB ARG 24 11.915 4.844 -5.931 210 HB3 ARG 24 3HB ARG 24 12.198 3.698 -4.608 211 HG2 ARG 24 2HG ARG 24 11.147 1.893 -5.880 212 HG3 ARG 24 3HG ARG 24 10.752 3.002 -7.192 213 HD2 ARG 24 2HD ARG 24 13.133 3.364 -7.671 214 HD3 ARG 24 3HD ARG 24 13.576 2.354 -6.291 215 HE ARG 24 HE ARG 24 13.331 0.505 -7.609 216 HH11 ARG 24 1HH2 ARG 24 11.328 2.934 -9.159 217 HH12 ARG 24 2HH2 ARG 24 10.685 1.788 -10.304 218 HH21 ARG 24 1HH1 ARG 24 12.675 -0.809 -9.274 219 HH22 ARG 24 2HH1 ARG 24 11.620 -0.179 -10.505 220 H TYR 25 H TYR 25 8.948 6.537 -4.702 221 HA TYR 25 HA TYR 25 9.702 7.175 -1.915 222 HB2 TYR 25 2HB TYR 25 10.578 9.410 -2.675 223 HB3 TYR 25 3HB TYR 25 11.563 8.030 -3.071 224 HD1 TYR 25 2HD TYR 25 11.935 7.290 -5.363 225 HD2 TYR 25 1HD TYR 25 9.442 10.706 -4.504 226 HE1 TYR 25 2HE TYR 25 12.001 7.940 -7.762 227 HE2 TYR 25 1HE TYR 25 9.511 11.354 -6.907 228 HH TYR 25 HH TYR 25 11.314 9.444 -9.349 229 HA PRO 26 HA PRO 26 5.436 8.745 -3.382 230 HB2 PRO 26 2HB PRO 26 3.746 7.125 -1.959 231 HB3 PRO 26 3HB PRO 26 4.373 6.706 -3.583 232 HG2 PRO 26 2HG PRO 26 5.450 5.815 -0.886 233 HG3 PRO 26 3HG PRO 26 5.079 4.813 -2.324 234 HD2 PRO 26 2HD PRO 26 7.605 5.671 -1.792 235 HD3 PRO 26 3HD PRO 26 6.982 5.586 -3.468 236 H ASP 27 H ASP 27 4.281 10.248 -2.209 237 HA ASP 27 HA ASP 27 5.189 10.957 0.480 238 HB2 ASP 27 2HB ASP 27 4.687 12.598 -1.367 239 HB3 ASP 27 3HB ASP 27 2.979 12.179 -1.211 240 H MET 28 H MET 28 3.523 11.430 2.202 241 HA MET 28 HA MET 28 2.422 8.920 2.953 242 HB2 MET 28 2HB MET 28 1.892 11.652 4.191 243 HB3 MET 28 3HB MET 28 1.620 10.084 4.962 244 HG2 MET 28 2HG MET 28 4.289 11.244 4.088 245 HG3 MET 28 3HG MET 28 3.723 11.068 5.740 246 HE1 MET 28 3HE MET 28 6.808 8.551 4.493 247 HE2 MET 28 1HE MET 28 6.189 9.787 3.372 248 HE3 MET 28 2HE MET 28 6.522 10.206 5.072 249 H SER 29 H SER 29 0.791 11.670 1.430 250 HA SER 29 HA SER 29 -1.917 10.694 1.767 251 HB2 SER 29 2HB SER 29 -2.388 12.270 -0.119 252 HB3 SER 29 3HB SER 29 -1.541 13.010 1.252 253 HG SER 29 HG SER 29 -0.599 13.601 -0.761 254 H THR 30 H THR 30 0.615 10.174 -0.690 255 HA THR 30 HA THR 30 -1.044 8.579 -2.485 256 HB THR 30 HB THR 30 1.985 8.735 -2.220 257 HG1 THR 30 1HG THR 30 0.828 10.672 -2.840 258 HG21 THR 30 1HG2 THR 30 1.386 6.686 -3.423 259 HG22 THR 30 2HG2 THR 30 1.992 7.894 -4.562 260 HG23 THR 30 3HG2 THR 30 0.244 7.590 -4.444 261 H ARG 31 H ARG 31 1.297 7.799 0.129 262 HA ARG 31 HA ARG 31 0.983 4.945 0.032 263 HB2 ARG 31 2HB ARG 31 1.636 6.762 2.397 264 HB3 ARG 31 3HB ARG 31 1.760 5.004 2.417 265 HG2 ARG 31 2HG ARG 31 3.431 5.109 0.551 266 HG3 ARG 31 3HG ARG 31 3.333 6.871 0.604 267 HD2 ARG 31 2HD ARG 31 3.937 6.551 3.161 268 HD3 ARG 31 3HD ARG 31 4.522 4.965 2.614 269 HE ARG 31 HE ARG 31 5.435 7.294 1.044 270 HH11 ARG 31 1HH1 ARG 31 6.418 5.293 3.764 271 HH12 ARG 31 2HH1 ARG 31 8.056 5.866 3.660 272 HH21 ARG 31 1HH2 ARG 31 7.408 7.933 0.973 273 HH22 ARG 31 2HH2 ARG 31 8.630 7.341 2.086 274 H GLU 32 H GLU 32 -0.951 7.409 1.770 275 HA GLU 32 HA GLU 32 -2.682 5.484 3.008 276 HB2 GLU 32 2HB GLU 32 -2.379 7.810 3.802 277 HB3 GLU 32 3HB GLU 32 -3.161 8.421 2.338 278 HG2 GLU 32 2HG GLU 32 -5.263 7.250 2.996 279 HG3 GLU 32 3HG GLU 32 -4.466 6.652 4.452 280 H GLU 33 H GLU 33 -3.055 7.276 -0.127 281 HA GLU 33 HA GLU 33 -5.617 6.107 -0.743 282 HB2 GLU 33 2HB GLU 33 -3.396 7.217 -2.507 283 HB3 GLU 33 3HB GLU 33 -4.903 6.557 -3.155 284 HG2 GLU 33 2HG GLU 33 -6.209 8.159 -1.771 285 HG3 GLU 33 3HG GLU 33 -4.711 8.895 -1.212 286 H ILE 34 H ILE 34 -2.277 4.893 -1.581 287 HA ILE 34 HA ILE 34 -3.437 2.543 -2.796 288 HB ILE 34 HB ILE 34 -1.274 1.617 -3.003 289 HG12 ILE 34 2HG1 ILE 34 0.750 3.078 -2.307 290 HG13 ILE 34 3HG1 ILE 34 -0.331 3.756 -1.102 291 HG21 ILE 34 1HG2 ILE 34 -0.275 3.293 -4.413 292 HG22 ILE 34 2HG2 ILE 34 -2.035 3.439 -4.534 293 HG23 ILE 34 3HG2 ILE 34 -1.107 4.600 -3.557 294 HD11 ILE 34 3HD1 ILE 34 1.205 1.823 -0.417 295 HD12 ILE 34 1HD1 ILE 34 -0.492 1.656 0.048 296 HD13 ILE 34 2HD1 ILE 34 0.150 0.758 -1.355 297 H ALA 35 H ALA 35 -2.656 3.256 0.572 298 HA ALA 35 HA ALA 35 -2.989 0.571 1.551 299 HB1 ALA 35 1HB ALA 35 -1.980 2.457 2.850 300 HB2 ALA 35 2HB ALA 35 -3.592 3.183 2.994 301 HB3 ALA 35 3HB ALA 35 -3.258 1.601 3.713 302 H VAL 36 H VAL 36 -5.367 3.250 1.088 303 HA VAL 36 HA VAL 36 -7.722 1.802 1.808 304 HB VAL 36 HB VAL 36 -7.241 4.120 -0.099 305 HG11 VAL 36 1HG1 VAL 36 -9.316 3.060 -0.868 306 HG12 VAL 36 2HG1 VAL 36 -9.940 3.041 0.798 307 HG13 VAL 36 3HG1 VAL 36 -9.643 4.581 -0.048 308 HG21 VAL 36 3HG2 VAL 36 -8.558 3.993 2.642 309 HG22 VAL 36 1HG2 VAL 36 -6.893 4.524 2.344 310 HG23 VAL 36 2HG2 VAL 36 -8.238 5.450 1.670 311 H TRP 37 H TRP 37 -6.085 2.083 -1.390 312 HA TRP 37 HA TRP 37 -7.998 0.474 -2.783 313 HB2 TRP 37 2HB TRP 37 -5.106 1.062 -3.439 314 HB3 TRP 37 3HB TRP 37 -6.297 0.433 -4.567 315 HD1 TRP 37 1HD TRP 37 -8.219 2.937 -2.919 316 HE1 TRP 37 1HE TRP 37 -8.115 5.242 -4.044 317 HE3 TRP 37 3HE TRP 37 -4.081 2.206 -5.834 318 HZ2 TRP 37 2HZ TRP 37 -6.390 6.624 -5.899 319 HZ3 TRP 37 3HZ TRP 37 -3.200 4.054 -7.246 320 HH2 TRP 37 2HH TRP 37 -4.340 6.261 -7.284 321 H THR 38 H THR 38 -5.056 -0.477 -1.031 322 HA THR 38 HA THR 38 -5.388 -3.324 -1.817 323 HB THR 38 HB THR 38 -3.331 -3.702 -0.487 324 HG1 THR 38 1HG THR 38 -3.135 -0.892 -0.409 325 HG21 THR 38 1HG2 THR 38 -3.052 -1.534 -2.606 326 HG22 THR 38 2HG2 THR 38 -3.151 -3.283 -2.896 327 HG23 THR 38 3HG2 THR 38 -1.768 -2.611 -2.013 328 H ASN 39 H ASN 39 -6.765 -1.408 0.497 329 HA ASN 39 HA ASN 39 -7.769 -1.628 2.442 330 HB2 ASN 39 2HB ASN 39 -8.924 -3.468 1.073 331 HB3 ASN 39 3HB ASN 39 -7.959 -4.629 1.991 332 HD21 ASN 39 1HD2 ASN 39 -8.161 -4.352 4.471 333 HD22 ASN 39 2HD2 ASN 39 -9.795 -4.015 5.059 334 H LEU 40 H LEU 40 -5.456 -1.080 2.945 335 HA LEU 40 HA LEU 40 -4.523 -2.654 5.307 336 HB2 LEU 40 2HB LEU 40 -2.912 -1.169 3.185 337 HB3 LEU 40 3HB LEU 40 -2.226 -1.722 4.703 338 HG LEU 40 HG LEU 40 -3.407 -3.555 2.567 339 HD11 LEU 40 1HD1 LEU 40 -0.530 -2.980 3.381 340 HD12 LEU 40 2HD1 LEU 40 -1.313 -2.421 1.891 341 HD13 LEU 40 3HD1 LEU 40 -1.070 -4.149 2.149 342 HD21 LEU 40 3HD2 LEU 40 -2.199 -5.310 3.937 343 HD22 LEU 40 1HD2 LEU 40 -3.606 -4.613 4.742 344 HD23 LEU 40 2HD2 LEU 40 -1.962 -4.096 5.204 345 H THR 41 H THR 41 -3.200 -1.248 6.776 346 HA THR 41 HA THR 41 -4.414 1.445 7.172 347 HB THR 41 HB THR 41 -3.167 1.404 9.331 348 HG1 THR 41 1HG THR 41 -1.701 -0.287 8.418 349 HG21 THR 41 1HG2 THR 41 -4.963 -1.031 8.955 350 HG22 THR 41 2HG2 THR 41 -5.544 0.632 9.199 351 HG23 THR 41 3HG2 THR 41 -4.616 -0.176 10.473 352 H GLU 42 H GLU 42 -3.284 3.316 6.888 353 HA GLU 42 HA GLU 42 -1.074 3.273 5.129 354 HB2 GLU 42 2HB GLU 42 -1.111 5.629 5.229 355 HB3 GLU 42 3HB GLU 42 -2.769 5.055 5.277 356 HG2 GLU 42 2HG GLU 42 -1.130 6.167 7.589 357 HG3 GLU 42 3HG GLU 42 -2.454 6.965 6.760 358 H ALA 43 H ALA 43 -1.020 3.449 8.679 359 HA ALA 43 HA ALA 43 1.725 4.245 8.898 360 HB1 ALA 43 1HB ALA 43 1.480 3.477 11.233 361 HB2 ALA 43 2HB ALA 43 0.080 4.443 10.726 362 HB3 ALA 43 3HB ALA 43 -0.048 2.671 10.822 363 H ARG 44 H ARG 44 0.205 1.023 8.596 364 HA ARG 44 HA ARG 44 2.701 -0.481 8.893 365 HB2 ARG 44 2HB ARG 44 0.001 -1.268 7.750 366 HB3 ARG 44 3HB ARG 44 1.389 -2.354 7.877 367 HG2 ARG 44 2HG ARG 44 1.503 -2.018 10.317 368 HG3 ARG 44 3HG ARG 44 0.117 -0.913 10.245 369 HD2 ARG 44 2HD ARG 44 -1.261 -2.749 9.283 370 HD3 ARG 44 3HD ARG 44 0.115 -3.843 9.405 371 HE ARG 44 HE ARG 44 -0.229 -4.088 11.659 372 HH11 ARG 44 1HH2 ARG 44 -2.304 -1.421 10.651 373 HH12 ARG 44 2HH2 ARG 44 -3.032 -1.307 12.230 374 HH21 ARG 44 1HH1 ARG 44 -1.075 -3.723 13.668 375 HH22 ARG 44 2HH1 ARG 44 -2.345 -2.557 13.886 376 H VAL 45 H VAL 45 0.860 0.781 6.121 377 HA VAL 45 HA VAL 45 2.679 -0.125 4.078 378 HB VAL 45 HB VAL 45 0.724 2.192 4.196 379 HG11 VAL 45 1HG1 VAL 45 2.219 1.190 1.745 380 HG12 VAL 45 2HG1 VAL 45 0.921 2.414 1.799 381 HG13 VAL 45 3HG1 VAL 45 2.477 2.765 2.529 382 HG21 VAL 45 3HG2 VAL 45 0.697 -0.546 2.843 383 HG22 VAL 45 1HG2 VAL 45 -0.307 -0.035 4.216 384 HG23 VAL 45 2HG2 VAL 45 -0.545 0.692 2.622 385 H ARG 46 H ARG 46 2.691 2.916 6.031 386 HA ARG 46 HA ARG 46 4.975 4.076 4.823 387 HB2 ARG 46 2HB ARG 46 3.371 5.184 6.375 388 HB3 ARG 46 3HB ARG 46 4.050 4.265 7.722 389 HG2 ARG 46 2HG ARG 46 6.284 5.353 7.269 390 HG3 ARG 46 3HG ARG 46 5.502 6.343 6.026 391 HD2 ARG 46 2HD ARG 46 4.803 6.244 8.990 392 HD3 ARG 46 3HD ARG 46 5.708 7.531 8.191 393 HE ARG 46 HE ARG 46 3.663 7.989 6.818 394 HH11 ARG 46 1HH2 ARG 46 3.221 6.601 10.011 395 HH12 ARG 46 2HH2 ARG 46 1.571 7.149 10.114 396 HH21 ARG 46 1HH1 ARG 46 1.550 8.631 7.020 397 HH22 ARG 46 2HH1 ARG 46 0.664 8.273 8.471 398 H VAL 47 H VAL 47 4.831 1.856 7.620 399 HA VAL 47 HA VAL 47 7.688 1.608 7.950 400 HB VAL 47 HB VAL 47 5.380 -0.181 8.796 401 HG11 VAL 47 1HG1 VAL 47 7.372 -1.608 8.725 402 HG12 VAL 47 2HG1 VAL 47 8.323 -0.369 9.583 403 HG13 VAL 47 3HG1 VAL 47 6.989 -1.212 10.399 404 HG21 VAL 47 3HG2 VAL 47 5.824 0.783 11.017 405 HG22 VAL 47 1HG2 VAL 47 7.170 1.741 10.362 406 HG23 VAL 47 2HG2 VAL 47 5.504 2.082 9.867 407 H TRP 48 H TRP 48 5.362 -0.274 5.938 408 HA TRP 48 HA TRP 48 7.245 -2.199 5.010 409 HB2 TRP 48 2HB TRP 48 4.770 -2.331 4.763 410 HB3 TRP 48 3HB TRP 48 4.836 -1.067 3.538 411 HD1 TRP 48 1HD TRP 48 5.369 -4.750 4.061 412 HE1 TRP 48 1HE TRP 48 5.998 -5.909 1.860 413 HE3 TRP 48 3HE TRP 48 5.986 -0.609 1.103 414 HZ2 TRP 48 2HZ TRP 48 6.796 -5.135 -0.813 415 HZ3 TRP 48 3HZ TRP 48 6.691 -0.847 -1.254 416 HH2 TRP 48 2HH TRP 48 7.115 -3.101 -2.219 417 H PHE 49 H PHE 49 6.320 0.983 3.556 418 HA PHE 49 HA PHE 49 8.243 0.840 1.435 419 HB2 PHE 49 2HB PHE 49 6.534 2.981 2.648 420 HB3 PHE 49 3HB PHE 49 7.947 3.509 1.749 421 HD1 PHE 49 1HD PHE 49 8.254 3.035 -0.631 422 HD2 PHE 49 2HD PHE 49 4.667 1.851 1.448 423 HE1 PHE 49 1HE PHE 49 7.139 2.579 -2.804 424 HE2 PHE 49 2HE PHE 49 3.565 1.381 -0.723 425 HZ PHE 49 HZ PHE 49 4.817 1.712 -2.848 426 H LYS 50 H LYS 50 8.587 2.166 4.761 427 HA LYS 50 HA LYS 50 11.256 3.140 4.451 428 HB2 LYS 50 2HB LYS 50 9.722 3.568 6.379 429 HB3 LYS 50 3HB LYS 50 9.969 1.905 6.928 430 HG2 LYS 50 2HG LYS 50 12.393 2.356 7.209 431 HG3 LYS 50 3HG LYS 50 12.156 4.011 6.612 432 HD2 LYS 50 2HD LYS 50 10.583 4.441 8.504 433 HD3 LYS 50 3HD LYS 50 10.898 2.821 9.135 434 HE2 LYS 50 2HE LYS 50 13.007 4.997 8.731 435 HE3 LYS 50 3HE LYS 50 12.180 4.680 10.256 436 HZ1 LYS 50 3HZ LYS 50 14.312 3.561 10.205 437 HZ2 LYS 50 1HZ LYS 50 13.938 2.742 8.848 438 HZ3 LYS 50 2HZ LYS 50 13.135 2.435 10.242 439 H ASN 51 H ASN 51 10.112 -0.145 5.255 440 HA ASN 51 HA ASN 51 12.763 -1.306 5.474 441 HB2 ASN 51 2HB ASN 51 9.941 -2.400 5.220 442 HB3 ASN 51 3HB ASN 51 11.322 -3.467 5.023 443 HD21 ASN 51 1HD2 ASN 51 9.704 -1.312 7.351 444 HD22 ASN 51 2HD2 ASN 51 10.501 -2.032 8.753 445 H ARG 52 H ARG 52 10.425 -1.167 2.731 446 HA ARG 52 HA ARG 52 12.082 -2.656 0.947 447 HB2 ARG 52 2HB ARG 52 9.505 -1.716 0.850 448 HB3 ARG 52 3HB ARG 52 10.275 -0.577 -0.238 449 HG2 ARG 52 2HG ARG 52 10.080 -3.603 -0.442 450 HG3 ARG 52 3HG ARG 52 9.410 -2.384 -1.530 451 HD2 ARG 52 2HD ARG 52 11.708 -1.784 -2.251 452 HD3 ARG 52 3HD ARG 52 12.350 -3.082 -1.225 453 HE ARG 52 HE ARG 52 10.349 -4.212 -2.893 454 HH11 ARG 52 1HH1 ARG 52 13.555 -2.865 -3.295 455 HH12 ARG 52 2HH1 ARG 52 13.913 -3.887 -4.664 456 HH21 ARG 52 1HH2 ARG 52 10.862 -5.513 -4.568 457 HH22 ARG 52 2HH2 ARG 52 12.398 -5.339 -5.390 458 H ARG 53 H ARG 53 11.850 0.871 1.459 459 HA ARG 53 HA ARG 53 13.866 1.641 -0.455 460 HB2 ARG 53 2HB ARG 53 12.804 2.972 2.071 461 HB3 ARG 53 3HB ARG 53 14.056 3.691 1.052 462 HG2 ARG 53 2HG ARG 53 12.563 3.645 -0.905 463 HG3 ARG 53 3HG ARG 53 11.287 2.894 0.052 464 HD2 ARG 53 2HD ARG 53 10.865 5.298 -0.175 465 HD3 ARG 53 3HD ARG 53 11.136 4.850 1.503 466 HE ARG 53 HE ARG 53 12.952 6.251 1.574 467 HH11 ARG 53 1HH2 ARG 53 12.375 5.680 -1.847 468 HH12 ARG 53 2HH2 ARG 53 13.726 6.686 -2.312 469 HH21 ARG 53 1HH1 ARG 53 14.580 7.576 0.890 470 HH22 ARG 53 2HH1 ARG 53 14.880 7.784 -0.808 471 H ALA 54 H ALA 54 14.191 0.756 3.031 472 HA ALA 54 HA ALA 54 17.000 1.204 3.148 473 HB1 ALA 54 1HB ALA 54 15.284 -0.791 4.692 474 HB2 ALA 54 2HB ALA 54 16.916 -0.251 5.135 475 HB3 ALA 54 3HB ALA 54 15.575 0.909 5.129 476 H LYS 55 H LYS 55 15.215 -1.817 2.311 477 HA LYS 55 HA LYS 55 17.559 -3.401 1.746 478 HB2 LYS 55 2HB LYS 55 14.637 -3.623 0.918 479 HB3 LYS 55 3HB LYS 55 15.859 -4.820 0.461 480 HG2 LYS 55 2HG LYS 55 16.382 -5.295 2.789 481 HG3 LYS 55 3HG LYS 55 15.276 -4.028 3.348 482 HD2 LYS 55 2HD LYS 55 13.342 -5.248 2.474 483 HD3 LYS 55 3HD LYS 55 14.399 -6.436 1.701 484 HE2 LYS 55 2HE LYS 55 13.511 -7.432 3.695 485 HE3 LYS 55 3HE LYS 55 15.241 -7.168 3.910 486 HZ1 LYS 55 3HZ LYS 55 14.700 -5.185 5.237 487 HZ2 LYS 55 1HZ LYS 55 13.983 -6.502 5.876 488 HZ3 LYS 55 2HZ LYS 55 13.094 -5.435 5.025 489 H TRP 56 H TRP 56 15.577 -1.356 -0.393 490 HA TRP 56 HA TRP 56 17.016 -1.864 -2.826 491 HB2 TRP 56 2HB TRP 56 14.848 -0.872 -2.870 492 HB3 TRP 56 3HB TRP 56 15.326 0.417 -1.781 493 HD1 TRP 56 1HD TRP 56 15.952 -0.694 -5.419 494 HE1 TRP 56 1HE TRP 56 16.453 1.388 -6.840 495 HE3 TRP 56 3HE TRP 56 16.045 2.831 -1.697 496 HZ2 TRP 56 2HZ TRP 56 16.785 4.226 -6.425 497 HZ3 TRP 56 3HZ TRP 56 16.462 5.217 -2.240 498 HH2 TRP 56 2HH TRP 56 16.829 5.927 -4.595 499 H ARG 57 H ARG 57 17.478 0.704 -0.345 500 HA ARG 57 HA ARG 57 19.717 1.924 -1.643 501 HB2 ARG 57 2HB ARG 57 18.193 3.025 -0.028 502 HB3 ARG 57 3HB ARG 57 18.815 2.008 1.266 503 HG2 ARG 57 2HG ARG 57 19.718 4.240 1.396 504 HG3 ARG 57 3HG ARG 57 21.023 3.103 1.102 505 HD2 ARG 57 2HD ARG 57 19.700 4.679 -1.147 506 HD3 ARG 57 3HD ARG 57 21.008 5.357 -0.164 507 HE ARG 57 HE ARG 57 21.911 2.845 -1.064 508 HH11 ARG 57 1HH1 ARG 57 21.134 5.917 -2.565 509 HH12 ARG 57 2HH1 ARG 57 22.247 5.653 -3.881 510 HH21 ARG 57 1HH2 ARG 57 23.308 2.583 -2.721 511 HH22 ARG 57 2HH2 ARG 57 23.458 3.800 -3.959 512 H LYS 58 H LYS 58 19.580 -0.725 0.710 513 HA LYS 58 HA LYS 58 22.342 -0.932 1.329 514 HB2 LYS 58 2HB LYS 58 20.530 -2.148 2.489 515 HB3 LYS 58 3HB LYS 58 20.221 -3.106 1.046 516 HG2 LYS 58 2HG LYS 58 21.438 -4.407 2.672 517 HG3 LYS 58 3HG LYS 58 22.438 -4.173 1.241 518 HD2 LYS 58 2HD LYS 58 23.733 -2.410 2.414 519 HD3 LYS 58 3HD LYS 58 22.670 -2.567 3.831 520 HE2 LYS 58 2HE LYS 58 23.361 -4.945 4.069 521 HE3 LYS 58 3HE LYS 58 24.417 -4.782 2.660 522 HZ1 LYS 58 3HZ LYS 58 24.712 -3.256 5.196 523 HZ2 LYS 58 1HZ LYS 58 25.691 -3.105 3.894 524 HZ3 LYS 58 2HZ LYS 58 25.654 -4.504 4.732 525 H ARG 59 H ARG 59 20.609 -2.070 -1.493 526 HA ARG 59 HA ARG 59 21.145 -2.715 -3.572 527 HB2 ARG 59 2HB ARG 59 22.195 -0.491 -3.402 528 HB3 ARG 59 3HB ARG 59 23.748 -1.248 -3.030 529 HG2 ARG 59 2HG ARG 59 23.818 -2.301 -5.241 530 HG3 ARG 59 3HG ARG 59 22.173 -1.733 -5.597 531 HD2 ARG 59 2HD ARG 59 22.934 0.606 -5.450 532 HD3 ARG 59 3HD ARG 59 24.567 0.081 -5.053 533 HE ARG 59 HE ARG 59 23.202 -0.063 -7.680 534 HH11 ARG 59 1HH1 ARG 59 26.151 -0.908 -5.918 535 HH12 ARG 59 2HH1 ARG 59 27.049 -1.083 -7.408 536 HH21 ARG 59 1HH2 ARG 59 24.421 -0.373 -9.494 537 HH22 ARG 59 2HH2 ARG 59 26.087 -0.849 -9.357 538 H GLU 60 H GLU 60 23.651 -3.764 -1.361 539 HA GLU 60 HA GLU 60 24.955 -5.576 -1.213 540 HB2 GLU 60 2HB GLU 60 22.939 -6.963 -3.001 541 HB3 GLU 60 3HB GLU 60 24.159 -7.739 -1.988 542 HG2 GLU 60 2HG GLU 60 23.126 -6.686 0.034 543 HG3 GLU 60 3HG GLU 60 21.835 -6.044 -0.984 544 H GLU 61 H GLU 61 25.215 -3.753 -3.726 545 HA GLU 61 HA GLU 61 26.622 -3.496 -5.484 546 HB2 GLU 61 2HB GLU 61 28.478 -4.946 -3.574 547 HB3 GLU 61 3HB GLU 61 28.967 -3.864 -4.879 548 HG2 GLU 61 2HG GLU 61 27.337 -3.047 -2.433 549 HG3 GLU 61 3HG GLU 61 29.053 -2.771 -2.680 550 H PHE 62 H PHE 62 24.999 -5.672 -6.101 551 HA PHE 62 HA PHE 62 26.450 -7.872 -7.199 552 HB2 PHE 62 2HB PHE 62 24.057 -7.967 -6.765 553 HB3 PHE 62 3HB PHE 62 23.752 -6.688 -7.938 554 HD1 PHE 62 1HD PHE 62 24.900 -10.224 -7.556 555 HD2 PHE 62 2HD PHE 62 23.612 -7.161 -10.307 556 HE1 PHE 62 1HE PHE 62 24.742 -11.915 -9.371 557 HE2 PHE 62 2HE PHE 62 23.458 -8.854 -12.118 558 HZ PHE 62 HZ PHE 62 24.024 -11.231 -11.653 559 H ILE 63 H ILE 63 27.383 -8.265 -9.106 560 HA ILE 63 HA ILE 63 27.190 -6.407 -11.387 561 HB ILE 63 HB ILE 63 29.628 -6.533 -11.797 562 HG12 ILE 63 2HG1 ILE 63 29.878 -7.534 -8.923 563 HG13 ILE 63 3HG1 ILE 63 30.137 -8.519 -10.365 564 HG21 ILE 63 1HG2 ILE 63 30.219 -4.690 -10.365 565 HG22 ILE 63 2HG2 ILE 63 28.506 -4.549 -10.758 566 HG23 ILE 63 3HG2 ILE 63 29.000 -5.154 -9.161 567 HD11 ILE 63 3HD1 ILE 63 32.276 -7.833 -9.521 568 HD12 ILE 63 1HD1 ILE 63 31.993 -6.990 -11.057 569 HD13 ILE 63 2HD1 ILE 63 31.807 -6.128 -9.507 570 H VAL 64 H VAL 64 27.772 -7.349 -13.403 571 HA VAL 64 HA VAL 64 28.278 -10.242 -13.541 572 HB VAL 64 HB VAL 64 25.837 -10.087 -13.370 573 HG11 VAL 64 1HG1 VAL 64 25.881 -8.552 -16.000 574 HG12 VAL 64 2HG1 VAL 64 24.452 -9.158 -15.143 575 HG13 VAL 64 3HG1 VAL 64 25.436 -7.882 -14.414 576 HG21 VAL 64 3HG2 VAL 64 26.668 -10.958 -16.160 577 HG22 VAL 64 1HG2 VAL 64 26.893 -11.912 -14.672 578 HG23 VAL 64 2HG2 VAL 64 25.264 -11.502 -15.226 579 H THR 65 H THR 65 29.194 -10.919 -15.468 580 HA THR 65 HA THR 65 29.895 -8.889 -17.534 581 HB THR 65 HB THR 65 32.252 -9.763 -17.487 582 HG1 THR 65 1HG THR 65 31.960 -11.636 -16.272 583 HG21 THR 65 1HG2 THR 65 33.008 -8.399 -15.633 584 HG22 THR 65 2HG2 THR 65 31.396 -8.419 -14.891 585 HG23 THR 65 3HG2 THR 65 31.657 -7.589 -16.443 586 H ASP 66 H ASP 66 30.656 -9.740 -19.519 587 HA ASP 66 HA ASP 66 30.339 -12.630 -20.081 588 HB2 ASP 66 2HB ASP 66 28.112 -11.658 -20.473 589 HB3 ASP 66 3HB ASP 66 28.808 -10.438 -21.534 Start of MODEL 13 1 H1 GLY -1 1H GLY -1 -15.386 7.164 15.771 2 H2 GLY -1 2H GLY -1 -16.914 6.642 16.057 3 H3 GLY -1 3H GLY -1 -15.966 5.854 14.977 4 HA2 GLY -1 2HA GLY -1 -15.496 6.012 17.886 5 HA3 GLY -1 3HA GLY -1 -16.103 4.590 17.016 6 H SER 0 H SER 0 -14.320 3.348 17.780 7 HA SER 0 HA SER 0 -11.565 4.038 17.066 8 HB2 SER 0 2HB SER 0 -11.016 1.920 18.145 9 HB3 SER 0 3HB SER 0 -12.088 2.892 19.164 10 HG SER 0 HG SER 0 -12.781 0.721 19.083 11 H GLN 1 H GLN 1 -10.187 2.339 15.959 12 HA GLN 1 HA GLN 1 -11.119 1.853 13.296 13 HB2 GLN 1 2HB GLN 1 -8.749 2.286 14.010 14 HB3 GLN 1 3HB GLN 1 -8.715 0.700 14.772 15 HG2 GLN 1 2HG GLN 1 -7.578 0.580 12.657 16 HG3 GLN 1 3HG GLN 1 -9.041 -0.376 12.544 17 HE21 GLN 1 1HE2 GLN 1 -8.316 -0.019 10.139 18 HE22 GLN 1 2HE2 GLN 1 -9.014 1.394 9.360 19 H ARG 2 H ARG 2 -11.191 -0.130 16.171 20 HA ARG 2 HA ARG 2 -11.947 -2.217 16.665 21 HB2 ARG 2 2HB ARG 2 -13.921 -0.721 16.041 22 HB3 ARG 2 3HB ARG 2 -14.044 -1.654 14.548 23 HG2 ARG 2 2HG ARG 2 -14.373 -3.733 15.916 24 HG3 ARG 2 3HG ARG 2 -14.191 -2.772 17.394 25 HD2 ARG 2 2HD ARG 2 -16.186 -1.416 16.730 26 HD3 ARG 2 3HD ARG 2 -16.345 -2.392 15.271 27 HE ARG 2 HE ARG 2 -17.216 -4.164 16.495 28 HH11 ARG 2 1HH1 ARG 2 -16.094 -1.775 18.808 29 HH12 ARG 2 2HH1 ARG 2 -16.890 -2.567 20.141 30 HH21 ARG 2 1HH2 ARG 2 -18.199 -5.114 18.238 31 HH22 ARG 2 2HH2 ARG 2 -18.047 -4.406 19.819 32 H ARG 3 H ARG 3 -9.795 -2.683 15.303 33 HA ARG 3 HA ARG 3 -10.400 -5.202 13.794 34 HB2 ARG 3 2HB ARG 3 -8.200 -3.195 13.148 35 HB3 ARG 3 3HB ARG 3 -8.302 -4.829 12.491 36 HG2 ARG 3 2HG ARG 3 -10.512 -4.259 11.457 37 HG3 ARG 3 3HG ARG 3 -10.301 -2.587 12.019 38 HD2 ARG 3 2HD ARG 3 -8.127 -2.484 10.771 39 HD3 ARG 3 3HD ARG 3 -8.434 -4.124 10.170 40 HE ARG 3 HE ARG 3 -10.614 -2.272 9.600 41 HH11 ARG 3 1HH1 ARG 3 -7.540 -3.399 8.342 42 HH12 ARG 3 2HH1 ARG 3 -7.919 -2.931 6.706 43 HH21 ARG 3 1HH2 ARG 3 -11.053 -1.719 7.492 44 HH22 ARG 3 2HH2 ARG 3 -9.892 -2.090 6.239 45 H GLN 4 H GLN 4 -9.242 -6.928 14.252 46 HA GLN 4 HA GLN 4 -7.307 -6.951 16.476 47 HB2 GLN 4 2HB GLN 4 -7.508 -9.271 16.463 48 HB3 GLN 4 3HB GLN 4 -9.137 -8.670 16.240 49 HG2 GLN 4 2HG GLN 4 -7.336 -9.806 14.043 50 HG3 GLN 4 3HG GLN 4 -8.576 -10.694 14.897 51 HE21 GLN 4 1HE2 GLN 4 -8.657 -10.682 12.160 52 HE22 GLN 4 2HE2 GLN 4 -10.020 -9.702 11.635 53 H ARG 5 H ARG 5 -5.232 -8.342 16.074 54 HA ARG 5 HA ARG 5 -3.717 -7.183 13.889 55 HB2 ARG 5 2HB ARG 5 -2.734 -7.823 16.068 56 HB3 ARG 5 3HB ARG 5 -2.960 -9.530 15.694 57 HG2 ARG 5 2HG ARG 5 -1.413 -7.737 13.792 58 HG3 ARG 5 3HG ARG 5 -0.646 -8.287 15.277 59 HD2 ARG 5 2HD ARG 5 -0.760 -10.579 14.665 60 HD3 ARG 5 3HD ARG 5 -1.865 -10.264 13.323 61 HE ARG 5 HE ARG 5 0.548 -8.776 12.931 62 HH11 ARG 5 1HH1 ARG 5 -0.527 -12.117 12.722 63 HH12 ARG 5 2HH1 ARG 5 0.602 -12.465 11.433 64 HH21 ARG 5 1HH2 ARG 5 1.951 -9.345 11.289 65 HH22 ARG 5 2HH2 ARG 5 1.892 -10.965 10.632 66 H THR 6 H THR 6 -3.328 -7.875 11.899 67 HA THR 6 HA THR 6 -4.255 -10.581 11.005 68 HB THR 6 HB THR 6 -4.801 -9.539 8.830 69 HG1 THR 6 1HG THR 6 -5.010 -7.256 8.811 70 HG21 THR 6 1HG2 THR 6 -6.302 -8.177 11.106 71 HG22 THR 6 2HG2 THR 6 -6.588 -9.843 10.552 72 HG23 THR 6 3HG2 THR 6 -6.890 -8.481 9.459 73 H HIS 7 H HIS 7 -3.006 -11.624 9.416 74 HA HIS 7 HA HIS 7 -0.247 -10.590 9.068 75 HB2 HIS 7 2HB HIS 7 -0.874 -13.044 9.646 76 HB3 HIS 7 3HB HIS 7 -1.278 -13.191 7.936 77 HD2 HIS 7 2HD HIS 7 0.762 -13.748 6.378 78 HE1 HIS 7 1HE HIS 7 3.970 -12.570 8.935 79 HE2 HIS 7 2HE HIS 7 3.376 -13.630 6.698 80 H PHE 8 H PHE 8 0.727 -10.406 6.943 81 HA PHE 8 HA PHE 8 -0.976 -9.070 4.998 82 HB2 PHE 8 2HB PHE 8 1.913 -10.007 4.856 83 HB3 PHE 8 3HB PHE 8 1.104 -9.075 3.614 84 HD1 PHE 8 1HD PHE 8 0.452 -6.710 3.975 85 HD2 PHE 8 2HD PHE 8 2.741 -8.920 6.890 86 HE1 PHE 8 1HE PHE 8 1.249 -4.579 4.970 87 HE2 PHE 8 2HE PHE 8 3.508 -6.787 7.901 88 HZ PHE 8 HZ PHE 8 2.800 -4.614 6.920 89 H THR 9 H THR 9 -1.512 -9.741 2.902 90 HA THR 9 HA THR 9 -1.066 -12.624 2.219 91 HB THR 9 HB THR 9 -3.410 -12.268 2.778 92 HG1 THR 9 1HG THR 9 -4.154 -13.274 0.943 93 HG21 THR 9 1HG2 THR 9 -4.895 -11.055 1.221 94 HG22 THR 9 2HG2 THR 9 -3.484 -10.404 0.360 95 HG23 THR 9 3HG2 THR 9 -3.795 -9.958 2.057 96 H SER 10 H SER 10 -0.872 -13.147 -0.014 97 HA SER 10 HA SER 10 1.209 -11.729 -1.198 98 HB2 SER 10 2HB SER 10 -0.716 -13.635 -2.581 99 HB3 SER 10 3HB SER 10 0.928 -13.221 -3.110 100 HG SER 10 HG SER 10 0.865 -15.195 -1.924 101 H GLN 11 H GLN 11 -2.266 -11.316 -1.868 102 HA GLN 11 HA GLN 11 -1.957 -9.753 -4.271 103 HB2 GLN 11 2HB GLN 11 -4.202 -9.844 -2.210 104 HB3 GLN 11 3HB GLN 11 -4.290 -9.014 -3.768 105 HG2 GLN 11 2HG GLN 11 -3.888 -11.173 -4.945 106 HG3 GLN 11 3HG GLN 11 -3.859 -12.015 -3.392 107 HE21 GLN 11 1HE2 GLN 11 -5.984 -10.112 -5.596 108 HE22 GLN 11 2HE2 GLN 11 -7.472 -10.762 -4.922 109 H GLN 12 H GLN 12 -1.878 -8.855 -0.828 110 HA GLN 12 HA GLN 12 -1.903 -5.961 -1.289 111 HB2 GLN 12 2HB GLN 12 -0.959 -7.577 1.116 112 HB3 GLN 12 3HB GLN 12 -1.233 -5.838 1.081 113 HG2 GLN 12 2HG GLN 12 -3.621 -6.150 0.752 114 HG3 GLN 12 3HG GLN 12 -3.441 -7.891 0.598 115 HE21 GLN 12 1HE2 GLN 12 -4.691 -5.857 2.720 116 HE22 GLN 12 2HE2 GLN 12 -4.219 -6.671 4.215 117 H LEU 13 H LEU 13 0.546 -8.444 -0.551 118 HA LEU 13 HA LEU 13 2.815 -6.706 -0.531 119 HB2 LEU 13 2HB LEU 13 2.573 -9.701 -1.061 120 HB3 LEU 13 3HB LEU 13 4.089 -8.868 -0.737 121 HG LEU 13 HG LEU 13 1.756 -8.983 1.234 122 HD11 LEU 13 1HD1 LEU 13 2.709 -11.217 0.841 123 HD12 LEU 13 2HD1 LEU 13 3.121 -10.620 2.455 124 HD13 LEU 13 3HD1 LEU 13 4.341 -10.589 1.161 125 HD21 LEU 13 3HD2 LEU 13 4.651 -8.094 1.560 126 HD22 LEU 13 1HD2 LEU 13 3.473 -8.267 2.880 127 HD23 LEU 13 2HD2 LEU 13 3.205 -7.046 1.634 128 H GLN 14 H GLN 14 1.382 -8.617 -3.214 129 HA GLN 14 HA GLN 14 3.379 -7.940 -5.148 130 HB2 GLN 14 2HB GLN 14 1.795 -9.825 -5.331 131 HB3 GLN 14 3HB GLN 14 0.450 -8.689 -5.531 132 HG2 GLN 14 2HG GLN 14 1.460 -7.862 -7.639 133 HG3 GLN 14 3HG GLN 14 2.851 -8.928 -7.404 134 HE21 GLN 14 1HE2 GLN 14 2.434 -11.330 -7.491 135 HE22 GLN 14 2HE2 GLN 14 1.051 -11.884 -8.424 136 H GLU 15 H GLU 15 0.304 -6.261 -4.243 137 HA GLU 15 HA GLU 15 0.631 -4.255 -6.309 138 HB2 GLU 15 2HB GLU 15 -1.543 -4.954 -5.183 139 HB3 GLU 15 3HB GLU 15 -1.021 -4.027 -3.776 140 HG2 GLU 15 2HG GLU 15 -2.515 -2.671 -5.100 141 HG3 GLU 15 3HG GLU 15 -0.909 -1.972 -5.215 142 H LEU 16 H LEU 16 1.672 -4.429 -2.890 143 HA LEU 16 HA LEU 16 2.785 -1.752 -2.816 144 HB2 LEU 16 2HB LEU 16 3.015 -4.273 -1.179 145 HB3 LEU 16 3HB LEU 16 4.188 -2.996 -0.927 146 HG LEU 16 HG LEU 16 1.258 -2.269 -0.927 147 HD11 LEU 16 1HD1 LEU 16 1.460 -4.145 0.676 148 HD12 LEU 16 2HD1 LEU 16 1.254 -2.614 1.541 149 HD13 LEU 16 3HD1 LEU 16 2.862 -3.363 1.438 150 HD21 LEU 16 3HD2 LEU 16 2.055 -0.543 0.647 151 HD22 LEU 16 1HD2 LEU 16 2.891 -0.450 -0.912 152 HD23 LEU 16 2HD2 LEU 16 3.707 -1.156 0.499 153 H GLU 17 H GLU 17 4.209 -4.935 -3.701 154 HA GLU 17 HA GLU 17 6.818 -3.903 -4.304 155 HB2 GLU 17 2HB GLU 17 6.250 -6.298 -3.907 156 HB3 GLU 17 3HB GLU 17 5.355 -6.331 -5.423 157 HG2 GLU 17 2HG GLU 17 7.561 -7.345 -5.670 158 HG3 GLU 17 3HG GLU 17 7.395 -5.928 -6.696 159 H ALA 18 H ALA 18 3.879 -4.241 -6.354 160 HA ALA 18 HA ALA 18 5.063 -3.132 -8.731 161 HB1 ALA 18 1HB ALA 18 2.166 -3.108 -7.785 162 HB2 ALA 18 2HB ALA 18 2.744 -2.817 -9.439 163 HB3 ALA 18 3HB ALA 18 2.950 -4.416 -8.702 164 H THR 19 H THR 19 3.384 -1.597 -5.942 165 HA THR 19 HA THR 19 3.498 1.093 -6.876 166 HB THR 19 HB THR 19 3.559 0.066 -4.013 167 HG1 THR 19 1HG THR 19 1.733 -0.604 -5.011 168 HG21 THR 19 1HG2 THR 19 2.549 2.178 -3.411 169 HG22 THR 19 2HG2 THR 19 2.685 2.783 -5.082 170 HG23 THR 19 3HG2 THR 19 4.146 2.483 -4.105 171 H PHE 20 H PHE 20 5.918 -0.726 -4.919 172 HA PHE 20 HA PHE 20 7.806 1.402 -4.752 173 HB2 PHE 20 2HB PHE 20 7.763 -0.733 -3.412 174 HB3 PHE 20 3HB PHE 20 8.333 -1.595 -4.829 175 HD1 PHE 20 2HD PHE 20 9.201 1.361 -2.654 176 HD2 PHE 20 1HD PHE 20 10.673 -1.883 -5.083 177 HE1 PHE 20 2HE PHE 20 11.522 1.903 -1.965 178 HE2 PHE 20 1HE PHE 20 12.995 -1.376 -4.337 179 HZ PHE 20 HZ PHE 20 13.422 0.541 -2.810 180 H GLN 21 H GLN 21 7.342 -1.080 -7.309 181 HA GLN 21 HA GLN 21 9.613 -0.219 -8.881 182 HB2 GLN 21 2HB GLN 21 7.131 -1.845 -9.523 183 HB3 GLN 21 3HB GLN 21 8.390 -1.511 -10.714 184 HG2 GLN 21 2HG GLN 21 10.072 -2.665 -9.420 185 HG3 GLN 21 3HG GLN 21 8.982 -2.849 -8.042 186 HE21 GLN 21 1HE2 GLN 21 7.126 -4.251 -8.256 187 HE22 GLN 21 2HE2 GLN 21 7.137 -5.560 -9.452 188 H ARG 22 H ARG 22 6.163 0.749 -8.885 189 HA ARG 22 HA ARG 22 6.321 2.538 -11.162 190 HB2 ARG 22 2HB ARG 22 4.415 2.366 -8.791 191 HB3 ARG 22 3HB ARG 22 4.250 3.566 -10.074 192 HG2 ARG 22 2HG ARG 22 4.069 1.792 -11.769 193 HG3 ARG 22 3HG ARG 22 4.198 0.548 -10.537 194 HD2 ARG 22 2HD ARG 22 1.990 2.639 -10.720 195 HD3 ARG 22 3HD ARG 22 1.867 0.986 -11.299 196 HE ARG 22 HE ARG 22 2.095 1.834 -8.433 197 HH11 ARG 22 1HH1 ARG 22 0.918 -0.654 -10.682 198 HH12 ARG 22 2HH1 ARG 22 0.138 -1.489 -9.335 199 HH21 ARG 22 1HH2 ARG 22 1.106 0.482 -6.852 200 HH22 ARG 22 2HH2 ARG 22 0.237 -0.914 -7.461 201 H ASN 23 H ASN 23 6.721 3.109 -7.663 202 HA ASN 23 HA ASN 23 8.717 5.153 -8.202 203 HB2 ASN 23 2HB ASN 23 7.477 6.834 -6.635 204 HB3 ASN 23 3HB ASN 23 7.053 6.751 -8.337 205 HD21 ASN 23 1HD2 ASN 23 5.989 4.942 -5.381 206 HD22 ASN 23 2HD2 ASN 23 4.280 5.206 -5.724 207 H ARG 24 H ARG 24 10.321 4.821 -6.792 208 HA ARG 24 HA ARG 24 9.988 3.071 -4.502 209 HB2 ARG 24 2HB ARG 24 12.401 4.710 -5.376 210 HB3 ARG 24 3HB ARG 24 12.403 3.436 -4.150 211 HG2 ARG 24 2HG ARG 24 11.617 1.805 -5.889 212 HG3 ARG 24 3HG ARG 24 11.784 3.083 -7.111 213 HD2 ARG 24 2HD ARG 24 14.218 3.309 -6.287 214 HD3 ARG 24 3HD ARG 24 13.967 1.780 -5.443 215 HE ARG 24 HE ARG 24 14.433 2.198 -8.264 216 HH11 ARG 24 2HH1 ARG 24 12.706 -0.018 -6.181 217 HH12 ARG 24 1HH1 ARG 24 12.813 -1.324 -7.335 218 HH21 ARG 24 1HH2 ARG 24 14.510 0.513 -9.691 219 HH22 ARG 24 2HH2 ARG 24 13.796 -1.016 -9.275 220 H TYR 25 H TYR 25 9.599 6.404 -4.795 221 HA TYR 25 HA TYR 25 9.650 6.833 -1.842 222 HB2 TYR 25 2HB TYR 25 10.426 9.171 -2.398 223 HB3 TYR 25 3HB TYR 25 11.580 7.874 -2.581 224 HD1 TYR 25 2HD TYR 25 12.397 7.138 -4.779 225 HD2 TYR 25 1HD TYR 25 9.675 10.463 -4.389 226 HE1 TYR 25 2HE TYR 25 12.903 7.832 -7.120 227 HE2 TYR 25 1HE TYR 25 10.182 11.152 -6.723 228 HH TYR 25 HH TYR 25 11.367 10.698 -8.631 229 HA PRO 26 HA PRO 26 5.426 7.844 -3.643 230 HB2 PRO 26 2HB PRO 26 3.919 6.414 -1.833 231 HB3 PRO 26 3HB PRO 26 4.562 5.728 -3.345 232 HG2 PRO 26 2HG PRO 26 5.714 5.500 -0.560 233 HG3 PRO 26 3HG PRO 26 5.517 4.225 -1.799 234 HD2 PRO 26 2HD PRO 26 7.886 5.503 -1.374 235 HD3 PRO 26 3HD PRO 26 7.378 4.958 -2.997 236 H ASP 27 H ASP 27 4.057 9.443 -2.803 237 HA ASP 27 HA ASP 27 5.034 10.859 -0.419 238 HB2 ASP 27 2HB ASP 27 4.352 11.886 -2.689 239 HB3 ASP 27 3HB ASP 27 2.683 11.628 -2.174 240 H MET 28 H MET 28 3.273 11.731 1.218 241 HA MET 28 HA MET 28 2.230 9.363 2.424 242 HB2 MET 28 2HB MET 28 1.455 10.624 4.207 243 HB3 MET 28 3HB MET 28 2.962 11.364 3.704 244 HG2 MET 28 2HG MET 28 0.208 12.456 2.951 245 HG3 MET 28 3HG MET 28 1.054 12.868 4.424 246 HE1 MET 28 3HE MET 28 1.086 13.386 0.446 247 HE2 MET 28 1HE MET 28 -0.012 14.370 1.446 248 HE3 MET 28 2HE MET 28 1.363 15.126 0.611 249 H SER 29 H SER 29 0.629 11.622 0.278 250 HA SER 29 HA SER 29 -2.074 10.614 0.635 251 HB2 SER 29 2HB SER 29 -2.416 11.793 -1.576 252 HB3 SER 29 3HB SER 29 -1.814 12.810 -0.253 253 HG SER 29 HG SER 29 -0.663 13.124 -2.245 254 H THR 30 H THR 30 0.598 9.942 -1.689 255 HA THR 30 HA THR 30 -0.680 7.943 -3.242 256 HB THR 30 HB THR 30 2.240 7.842 -2.420 257 HG1 THR 30 1HG THR 30 1.095 9.475 -4.427 258 HG21 THR 30 1HG2 THR 30 1.517 5.989 -3.841 259 HG22 THR 30 2HG2 THR 30 2.574 7.082 -4.750 260 HG23 THR 30 3HG2 THR 30 0.815 7.127 -5.012 261 H ARG 31 H ARG 31 1.240 7.618 -0.227 262 HA ARG 31 HA ARG 31 0.962 4.766 0.032 263 HB2 ARG 31 2HB ARG 31 1.456 6.928 2.147 264 HB3 ARG 31 3HB ARG 31 1.590 5.197 2.446 265 HG2 ARG 31 2HG ARG 31 3.406 5.016 0.769 266 HG3 ARG 31 3HG ARG 31 3.244 6.731 0.406 267 HD2 ARG 31 2HD ARG 31 3.681 7.084 2.969 268 HD3 ARG 31 3HD ARG 31 4.311 5.430 2.911 269 HE ARG 31 HE ARG 31 5.286 7.502 0.971 270 HH11 ARG 31 1HH1 ARG 31 6.210 5.512 3.700 271 HH12 ARG 31 2HH1 ARG 31 7.902 5.865 3.466 272 HH21 ARG 31 2HH2 ARG 31 7.321 7.887 0.729 273 HH22 ARG 31 1HH2 ARG 31 8.537 7.209 1.799 274 H GLU 32 H GLU 32 -1.093 7.419 1.300 275 HA GLU 32 HA GLU 32 -2.848 5.624 2.712 276 HB2 GLU 32 2HB GLU 32 -2.587 8.036 3.227 277 HB3 GLU 32 3HB GLU 32 -3.351 8.450 1.686 278 HG2 GLU 32 2HG GLU 32 -5.444 7.343 2.430 279 HG3 GLU 32 3HG GLU 32 -4.660 6.860 3.936 280 H GLU 33 H GLU 33 -3.009 6.945 -0.644 281 HA GLU 33 HA GLU 33 -5.560 5.753 -1.250 282 HB2 GLU 33 2HB GLU 33 -3.239 6.578 -3.027 283 HB3 GLU 33 3HB GLU 33 -4.742 5.872 -3.639 284 HG2 GLU 33 2HG GLU 33 -6.057 7.671 -2.564 285 HG3 GLU 33 3HG GLU 33 -4.575 8.437 -2.003 286 H ILE 34 H ILE 34 -2.200 4.455 -1.813 287 HA ILE 34 HA ILE 34 -3.284 1.948 -2.739 288 HB ILE 34 HB ILE 34 -1.097 1.042 -2.710 289 HG12 ILE 34 2HG1 ILE 34 0.864 2.597 -2.063 290 HG13 ILE 34 3HG1 ILE 34 -0.293 3.407 -1.025 291 HG21 ILE 34 1HG2 ILE 34 -0.012 2.531 -4.248 292 HG22 ILE 34 2HG2 ILE 34 -1.759 2.649 -4.503 293 HG23 ILE 34 3HG2 ILE 34 -0.897 3.930 -3.620 294 HD11 ILE 34 3HD1 ILE 34 0.139 0.400 -0.874 295 HD12 ILE 34 1HD1 ILE 34 1.212 1.545 -0.064 296 HD13 ILE 34 2HD1 ILE 34 -0.495 1.501 0.379 297 H ALA 35 H ALA 35 -2.693 3.135 0.526 298 HA ALA 35 HA ALA 35 -2.888 0.615 1.852 299 HB1 ALA 35 1HB ALA 35 -3.409 1.913 3.845 300 HB2 ALA 35 2HB ALA 35 -2.088 2.678 2.967 301 HB3 ALA 35 3HB ALA 35 -3.726 3.358 2.879 302 H VAL 36 H VAL 36 -5.522 2.995 1.000 303 HA VAL 36 HA VAL 36 -7.569 1.199 1.985 304 HB VAL 36 HB VAL 36 -9.217 2.580 0.871 305 HG11 VAL 36 1HG1 VAL 36 -7.126 4.235 2.334 306 HG12 VAL 36 2HG1 VAL 36 -8.849 4.614 2.151 307 HG13 VAL 36 3HG1 VAL 36 -8.354 3.198 3.101 308 HG21 VAL 36 3HG2 VAL 36 -6.938 4.324 -0.116 309 HG22 VAL 36 1HG2 VAL 36 -7.938 3.286 -1.153 310 HG23 VAL 36 2HG2 VAL 36 -8.673 4.636 -0.283 311 H TRP 37 H TRP 37 -6.021 1.468 -1.206 312 HA TRP 37 HA TRP 37 -7.805 -0.381 -2.523 313 HB2 TRP 37 2HB TRP 37 -4.921 0.295 -3.127 314 HB3 TRP 37 3HB TRP 37 -6.036 -0.509 -4.223 315 HD1 TRP 37 1HD TRP 37 -8.204 1.949 -3.006 316 HE1 TRP 37 1HE TRP 37 -8.108 4.226 -4.165 317 HE3 TRP 37 3HE TRP 37 -3.797 1.343 -5.514 318 HZ2 TRP 37 2HZ TRP 37 -6.376 5.575 -6.059 319 HZ3 TRP 37 3HZ TRP 37 -2.936 3.148 -6.991 320 HH2 TRP 37 2HH TRP 37 -4.211 5.263 -7.269 321 H THR 38 H THR 38 -4.991 -0.910 -0.457 322 HA THR 38 HA THR 38 -5.135 -3.861 -0.862 323 HB THR 38 HB THR 38 -3.087 -3.922 0.548 324 HG1 THR 38 1HG THR 38 -3.006 -1.134 0.156 325 HG21 THR 38 1HG2 THR 38 -2.844 -2.099 -1.880 326 HG22 THR 38 2HG2 THR 38 -2.903 -3.871 -1.915 327 HG23 THR 38 3HG2 THR 38 -1.548 -3.049 -1.121 328 H ASN 39 H ASN 39 -6.732 -1.720 1.018 329 HA ASN 39 HA ASN 39 -7.814 -1.660 2.932 330 HB2 ASN 39 2HB ASN 39 -8.766 -3.783 1.883 331 HB3 ASN 39 3HB ASN 39 -7.750 -4.693 3.005 332 HD21 ASN 39 1HD2 ASN 39 -9.975 -5.528 3.610 333 HD22 ASN 39 2HD2 ASN 39 -10.870 -4.601 4.804 334 H LEU 40 H LEU 40 -4.952 -1.547 3.074 335 HA LEU 40 HA LEU 40 -4.271 -2.421 5.847 336 HB2 LEU 40 2HB LEU 40 -2.629 -1.160 3.610 337 HB3 LEU 40 3HB LEU 40 -1.993 -1.579 5.193 338 HG LEU 40 HG LEU 40 -3.072 -3.589 3.167 339 HD11 LEU 40 1HD1 LEU 40 -0.971 -2.537 2.458 340 HD12 LEU 40 2HD1 LEU 40 -0.694 -4.218 2.937 341 HD13 LEU 40 3HD1 LEU 40 -0.232 -2.891 4.032 342 HD21 LEU 40 3HD2 LEU 40 -3.333 -4.420 5.469 343 HD22 LEU 40 1HD2 LEU 40 -1.647 -3.972 5.831 344 HD23 LEU 40 2HD2 LEU 40 -1.999 -5.259 4.667 345 H THR 41 H THR 41 -2.882 -0.616 6.992 346 HA THR 41 HA THR 41 -4.318 2.001 6.882 347 HB THR 41 HB THR 41 -3.381 2.517 9.028 348 HG1 THR 41 1HG THR 41 -2.231 0.853 10.151 349 HG21 THR 41 1HG2 THR 41 -4.510 -0.310 9.166 350 HG22 THR 41 2HG2 THR 41 -5.487 1.166 8.984 351 HG23 THR 41 3HG2 THR 41 -4.519 0.920 10.449 352 H GLU 42 H GLU 42 -3.093 3.965 6.756 353 HA GLU 42 HA GLU 42 -0.856 3.828 4.983 354 HB2 GLU 42 2HB GLU 42 -0.736 6.207 5.150 355 HB3 GLU 42 3HB GLU 42 -2.402 5.674 5.009 356 HG2 GLU 42 2HG GLU 42 -2.719 7.252 6.599 357 HG3 GLU 42 3HG GLU 42 -2.381 5.908 7.678 358 H ALA 43 H ALA 43 -0.943 3.823 8.495 359 HA ALA 43 HA ALA 43 1.864 4.404 8.841 360 HB1 ALA 43 1HB ALA 43 -0.162 3.089 10.707 361 HB2 ALA 43 2HB ALA 43 1.438 3.705 11.173 362 HB3 ALA 43 3HB ALA 43 0.192 4.829 10.598 363 H ARG 44 H ARG 44 -0.033 1.343 8.707 364 HA ARG 44 HA ARG 44 2.207 -0.448 9.045 365 HB2 ARG 44 2HB ARG 44 -0.159 -1.040 9.383 366 HB3 ARG 44 3HB ARG 44 -0.491 -0.813 7.661 367 HG2 ARG 44 2HG ARG 44 0.894 -2.710 7.070 368 HG3 ARG 44 3HG ARG 44 1.502 -2.853 8.737 369 HD2 ARG 44 2HD ARG 44 -0.737 -3.376 9.558 370 HD3 ARG 44 3HD ARG 44 -1.427 -3.145 7.941 371 HE ARG 44 HE ARG 44 0.556 -5.087 7.620 372 HH11 ARG 44 1HH1 ARG 44 -2.423 -4.918 9.463 373 HH12 ARG 44 2HH1 ARG 44 -2.637 -6.649 9.429 374 HH21 ARG 44 1HH2 ARG 44 0.298 -7.267 7.754 375 HH22 ARG 44 2HH2 ARG 44 -0.989 -7.905 8.768 376 H VAL 45 H VAL 45 0.733 1.027 6.180 377 HA VAL 45 HA VAL 45 2.510 -0.104 4.214 378 HB VAL 45 HB VAL 45 0.729 2.338 4.336 379 HG11 VAL 45 1HG1 VAL 45 2.546 3.030 2.856 380 HG12 VAL 45 2HG1 VAL 45 2.419 1.490 1.971 381 HG13 VAL 45 3HG1 VAL 45 1.088 2.682 1.937 382 HG21 VAL 45 3HG2 VAL 45 -0.314 0.094 4.126 383 HG22 VAL 45 1HG2 VAL 45 -0.535 1.037 2.650 384 HG23 VAL 45 2HG2 VAL 45 0.687 -0.243 2.701 385 H ARG 46 H ARG 46 2.813 2.950 6.153 386 HA ARG 46 HA ARG 46 5.285 3.746 4.977 387 HB2 ARG 46 2HB ARG 46 3.787 5.159 6.345 388 HB3 ARG 46 3HB ARG 46 4.245 4.261 7.797 389 HG2 ARG 46 2HG ARG 46 6.585 5.008 7.549 390 HG3 ARG 46 3HG ARG 46 6.176 5.860 6.054 391 HD2 ARG 46 2HD ARG 46 5.030 6.460 8.813 392 HD3 ARG 46 3HD ARG 46 6.326 7.358 8.030 393 HE ARG 46 HE ARG 46 4.802 8.188 6.367 394 HH11 ARG 46 1HH1 ARG 46 3.094 6.578 8.981 395 HH12 ARG 46 2HH1 ARG 46 1.536 7.174 8.433 396 HH21 ARG 46 1HH2 ARG 46 2.808 9.009 5.842 397 HH22 ARG 46 2HH2 ARG 46 1.395 8.506 6.750 398 H VAL 47 H VAL 47 4.711 1.599 7.774 399 HA VAL 47 HA VAL 47 7.491 1.036 8.298 400 HB VAL 47 HB VAL 47 4.984 -0.595 8.841 401 HG11 VAL 47 1HG1 VAL 47 7.832 -1.062 9.831 402 HG12 VAL 47 2HG1 VAL 47 6.379 -1.846 10.489 403 HG13 VAL 47 3HG1 VAL 47 6.864 -2.166 8.826 404 HG21 VAL 47 3HG2 VAL 47 6.767 1.089 10.663 405 HG22 VAL 47 1HG2 VAL 47 5.170 1.575 10.068 406 HG23 VAL 47 2HG2 VAL 47 5.313 0.190 11.151 407 H TRP 48 H TRP 48 5.143 -0.581 6.078 408 HA TRP 48 HA TRP 48 6.935 -2.579 5.141 409 HB2 TRP 48 2HB TRP 48 4.445 -2.434 4.741 410 HB3 TRP 48 3HB TRP 48 4.760 -1.217 3.510 411 HD1 TRP 48 1HD TRP 48 4.717 -4.897 4.117 412 HE1 TRP 48 1HE TRP 48 5.350 -6.204 2.007 413 HE3 TRP 48 3HE TRP 48 6.330 -1.002 1.177 414 HZ2 TRP 48 2HZ TRP 48 6.457 -5.655 -0.598 415 HZ3 TRP 48 3HZ TRP 48 7.195 -1.442 -1.101 416 HH2 TRP 48 2HH TRP 48 7.283 -3.756 -1.994 417 H PHE 49 H PHE 49 6.390 0.744 3.789 418 HA PHE 49 HA PHE 49 8.448 0.440 1.802 419 HB2 PHE 49 2HB PHE 49 7.046 2.856 2.971 420 HB3 PHE 49 3HB PHE 49 8.357 3.021 1.808 421 HD1 PHE 49 2HD PHE 49 8.168 1.357 -0.318 422 HD2 PHE 49 1HD PHE 49 4.877 2.896 2.006 423 HE1 PHE 49 2HE PHE 49 6.614 0.892 -2.202 424 HE2 PHE 49 1HE PHE 49 3.344 2.474 0.092 425 HZ PHE 49 HZ PHE 49 4.201 1.402 -1.968 426 H LYS 50 H LYS 50 8.645 1.715 5.148 427 HA LYS 50 HA LYS 50 11.382 2.532 5.064 428 HB2 LYS 50 2HB LYS 50 9.776 3.040 6.886 429 HB3 LYS 50 3HB LYS 50 9.786 1.340 7.374 430 HG2 LYS 50 2HG LYS 50 12.201 1.496 7.909 431 HG3 LYS 50 3HG LYS 50 12.217 3.186 7.367 432 HD2 LYS 50 2HD LYS 50 10.586 3.769 9.147 433 HD3 LYS 50 3HD LYS 50 10.549 2.070 9.671 434 HE2 LYS 50 2HE LYS 50 12.987 2.169 10.153 435 HE3 LYS 50 3HE LYS 50 13.024 3.861 9.638 436 HZ1 LYS 50 3HZ LYS 50 12.836 3.677 12.050 437 HZ2 LYS 50 1HZ LYS 50 11.456 2.815 11.938 438 HZ3 LYS 50 2HZ LYS 50 11.487 4.379 11.462 439 H ASN 51 H ASN 51 9.982 -0.688 5.712 440 HA ASN 51 HA ASN 51 12.537 -2.020 6.007 441 HB2 ASN 51 2HB ASN 51 9.721 -3.018 5.373 442 HB3 ASN 51 3HB ASN 51 11.096 -4.085 5.619 443 HD21 ASN 51 1HD2 ASN 51 8.968 -4.473 7.230 444 HD22 ASN 51 2HD2 ASN 51 9.347 -3.906 8.849 445 H ARG 52 H ARG 52 10.300 -1.764 3.171 446 HA ARG 52 HA ARG 52 11.951 -3.284 1.433 447 HB2 ARG 52 2HB ARG 52 9.591 -2.893 0.940 448 HB3 ARG 52 3HB ARG 52 9.854 -1.156 0.847 449 HG2 ARG 52 2HG ARG 52 9.611 -2.088 -1.395 450 HG3 ARG 52 3HG ARG 52 11.193 -1.386 -1.161 451 HD2 ARG 52 2HD ARG 52 11.667 -3.296 -2.342 452 HD3 ARG 52 3HD ARG 52 12.043 -3.810 -0.712 453 HE ARG 52 HE ARG 52 9.847 -4.709 -2.481 454 HH11 ARG 52 1HH1 ARG 52 10.975 -4.991 0.849 455 HH12 ARG 52 2HH1 ARG 52 10.087 -6.474 1.059 456 HH21 ARG 52 1HH2 ARG 52 8.856 -6.428 -2.166 457 HH22 ARG 52 2HH2 ARG 52 8.888 -7.318 -0.637 458 H ARG 53 H ARG 53 11.974 0.300 1.862 459 HA ARG 53 HA ARG 53 13.989 0.669 -0.156 460 HB2 ARG 53 2HB ARG 53 14.181 2.897 0.536 461 HB3 ARG 53 3HB ARG 53 12.486 2.454 0.708 462 HG2 ARG 53 2HG ARG 53 12.886 2.162 3.191 463 HG3 ARG 53 3HG ARG 53 14.539 2.738 2.954 464 HD2 ARG 53 2HD ARG 53 13.658 4.881 2.038 465 HD3 ARG 53 3HD ARG 53 12.012 4.284 2.235 466 HE ARG 53 HE ARG 53 12.069 4.826 4.462 467 HH11 ARG 53 1HH1 ARG 53 15.416 4.859 3.407 468 HH12 ARG 53 2HH1 ARG 53 15.971 5.520 4.919 469 HH21 ARG 53 1HH2 ARG 53 12.854 5.691 6.346 470 HH22 ARG 53 2HH2 ARG 53 14.558 5.973 6.527 471 H ALA 54 H ALA 54 14.329 -0.079 3.299 472 HA ALA 54 HA ALA 54 17.195 0.176 3.364 473 HB1 ALA 54 1HB ALA 54 15.797 0.209 5.382 474 HB2 ALA 54 2HB ALA 54 15.293 -1.471 5.092 475 HB3 ALA 54 3HB ALA 54 16.992 -1.101 5.462 476 H LYS 55 H LYS 55 15.057 -2.678 2.795 477 HA LYS 55 HA LYS 55 17.253 -4.517 2.318 478 HB2 LYS 55 2HB LYS 55 14.254 -4.596 1.906 479 HB3 LYS 55 3HB LYS 55 15.263 -5.772 1.077 480 HG2 LYS 55 2HG LYS 55 14.583 -6.813 3.072 481 HG3 LYS 55 3HG LYS 55 16.296 -6.448 3.231 482 HD2 LYS 55 2HD LYS 55 15.655 -4.427 4.653 483 HD3 LYS 55 3HD LYS 55 13.969 -4.939 4.486 484 HE2 LYS 55 2HE LYS 55 14.585 -5.809 6.559 485 HE3 LYS 55 3HE LYS 55 14.680 -7.194 5.469 486 HZ1 LYS 55 3HZ LYS 55 16.981 -5.567 6.427 487 HZ2 LYS 55 1HZ LYS 55 17.137 -6.794 5.364 488 HZ3 LYS 55 2HZ LYS 55 16.632 -7.091 6.888 489 H TRP 56 H TRP 56 15.495 -2.357 0.136 490 HA TRP 56 HA TRP 56 16.717 -3.353 -2.293 491 HB2 TRP 56 2HB TRP 56 14.635 -2.161 -2.377 492 HB3 TRP 56 3HB TRP 56 15.320 -0.775 -1.537 493 HD1 TRP 56 1HD TRP 56 15.726 -2.592 -4.921 494 HE1 TRP 56 1HE TRP 56 16.470 -0.895 -6.701 495 HE3 TRP 56 3HE TRP 56 16.199 1.550 -1.940 496 HZ2 TRP 56 2HZ TRP 56 17.203 1.897 -6.811 497 HZ3 TRP 56 3HZ TRP 56 16.930 3.717 -2.912 498 HH2 TRP 56 2HH TRP 56 17.436 3.902 -5.337 499 H ARG 57 H ARG 57 17.563 -0.629 -0.110 500 HA ARG 57 HA ARG 57 19.847 0.143 -1.743 501 HB2 ARG 57 2HB ARG 57 18.227 1.632 -0.420 502 HB3 ARG 57 3HB ARG 57 19.176 1.215 1.012 503 HG2 ARG 57 2HG ARG 57 21.182 2.233 -0.046 504 HG3 ARG 57 3HG ARG 57 20.272 2.491 -1.547 505 HD2 ARG 57 2HD ARG 57 18.730 4.005 -0.344 506 HD3 ARG 57 3HD ARG 57 19.638 3.736 1.159 507 HE ARG 57 HE ARG 57 21.464 4.615 -0.838 508 HH11 ARG 57 1HH1 ARG 57 18.817 5.990 1.000 509 HH12 ARG 57 2HH1 ARG 57 19.462 7.606 0.893 510 HH21 ARG 57 1HH2 ARG 57 22.229 6.697 -0.936 511 HH22 ARG 57 2HH2 ARG 57 21.345 7.987 -0.176 512 H LYS 58 H LYS 58 19.693 -2.489 0.034 513 HA LYS 58 HA LYS 58 22.629 -2.509 0.600 514 HB2 LYS 58 2HB LYS 58 20.406 -3.728 2.287 515 HB3 LYS 58 3HB LYS 58 22.104 -4.092 2.526 516 HG2 LYS 58 2HG LYS 58 21.136 -1.211 2.718 517 HG3 LYS 58 3HG LYS 58 20.861 -2.344 4.022 518 HD2 LYS 58 2HD LYS 58 22.833 -1.114 4.542 519 HD3 LYS 58 3HD LYS 58 23.252 -2.791 4.249 520 HE2 LYS 58 2HE LYS 58 24.962 -1.414 3.320 521 HE3 LYS 58 3HE LYS 58 24.113 -2.182 1.985 522 HZ1 LYS 58 3HZ LYS 58 24.545 0.218 1.636 523 HZ2 LYS 58 1HZ LYS 58 23.613 0.604 2.917 524 HZ3 LYS 58 2HZ LYS 58 22.947 -0.089 1.582 525 H ARG 59 H ARG 59 23.619 -4.618 0.435 526 HA ARG 59 HA ARG 59 22.542 -6.199 -1.803 527 HB2 ARG 59 2HB ARG 59 25.078 -6.434 -0.125 528 HB3 ARG 59 3HB ARG 59 24.680 -7.530 -1.433 529 HG2 ARG 59 2HG ARG 59 25.163 -4.534 -1.700 530 HG3 ARG 59 3HG ARG 59 26.253 -5.828 -2.187 531 HD2 ARG 59 2HD ARG 59 23.564 -5.135 -3.428 532 HD3 ARG 59 3HD ARG 59 25.166 -4.934 -4.149 533 HE ARG 59 HE ARG 59 25.019 -7.654 -3.574 534 HH11 ARG 59 2HH1 ARG 59 23.168 -5.541 -5.723 535 HH12 ARG 59 1HH1 ARG 59 22.723 -6.912 -6.722 536 HH21 ARG 59 1HH2 ARG 59 24.330 -9.234 -4.834 537 HH22 ARG 59 2HH2 ARG 59 23.309 -8.890 -6.240 538 H GLU 60 H GLU 60 22.641 -6.611 1.639 539 HA GLU 60 HA GLU 60 21.891 -8.140 3.096 540 HB2 GLU 60 2HB GLU 60 19.964 -8.877 0.877 541 HB3 GLU 60 3HB GLU 60 19.787 -9.322 2.567 542 HG2 GLU 60 2HG GLU 60 19.842 -6.444 1.552 543 HG3 GLU 60 3HG GLU 60 18.392 -7.380 1.880 544 H GLU 61 H GLU 61 23.410 -9.435 0.371 545 HA GLU 61 HA GLU 61 24.254 -11.803 1.907 546 HB2 GLU 61 2HB GLU 61 22.289 -12.501 0.532 547 HB3 GLU 61 3HB GLU 61 23.130 -11.977 -0.929 548 HG2 GLU 61 2HG GLU 61 24.813 -13.701 -0.655 549 HG3 GLU 61 3HG GLU 61 24.253 -14.069 0.979 550 H PHE 62 H PHE 62 26.275 -12.687 1.066 551 HA PHE 62 HA PHE 62 28.072 -10.582 0.228 552 HB2 PHE 62 2HB PHE 62 28.628 -13.489 0.885 553 HB3 PHE 62 3HB PHE 62 29.822 -12.204 0.753 554 HD1 PHE 62 1HD PHE 62 29.569 -10.146 2.336 555 HD2 PHE 62 2HD PHE 62 27.631 -13.943 3.003 556 HE1 PHE 62 1HE PHE 62 29.270 -9.575 4.737 557 HE2 PHE 62 2HE PHE 62 27.333 -13.368 5.400 558 HZ PHE 62 HZ PHE 62 28.151 -11.184 6.270 559 H ILE 63 H ILE 63 26.553 -10.741 -1.893 560 HA ILE 63 HA ILE 63 28.341 -11.684 -4.036 561 HB ILE 63 HB ILE 63 26.768 -13.546 -3.630 562 HG12 ILE 63 2HG1 ILE 63 26.261 -12.202 -6.316 563 HG13 ILE 63 3HG1 ILE 63 27.748 -13.051 -5.878 564 HG21 ILE 63 1HG2 ILE 63 24.800 -12.163 -2.865 565 HG22 ILE 63 2HG2 ILE 63 24.520 -11.705 -4.558 566 HG23 ILE 63 3HG2 ILE 63 24.397 -13.399 -4.050 567 HD11 ILE 63 3HD1 ILE 63 24.970 -14.280 -6.106 568 HD12 ILE 63 1HD1 ILE 63 26.354 -14.528 -7.180 569 HD13 ILE 63 2HD1 ILE 63 26.415 -15.141 -5.516 570 H VAL 64 H VAL 64 28.173 -10.497 -5.943 571 HA VAL 64 HA VAL 64 26.507 -8.009 -5.856 572 HB VAL 64 HB VAL 64 29.202 -8.422 -7.185 573 HG11 VAL 64 1HG1 VAL 64 27.434 -5.940 -6.952 574 HG12 VAL 64 2HG1 VAL 64 29.103 -5.962 -7.559 575 HG13 VAL 64 3HG1 VAL 64 27.843 -6.806 -8.454 576 HG21 VAL 64 3HG2 VAL 64 29.429 -8.242 -4.736 577 HG22 VAL 64 1HG2 VAL 64 29.990 -6.760 -5.509 578 HG23 VAL 64 2HG2 VAL 64 28.394 -6.796 -4.729 579 H THR 65 H THR 65 25.224 -7.529 -7.563 580 HA THR 65 HA THR 65 25.248 -9.199 -10.017 581 HB THR 65 HB THR 65 22.769 -9.389 -9.914 582 HG1 THR 65 1HG THR 65 21.688 -8.943 -8.113 583 HG21 THR 65 1HG2 THR 65 24.199 -11.303 -9.231 584 HG22 THR 65 2HG2 THR 65 22.655 -11.258 -8.363 585 HG23 THR 65 3HG2 THR 65 24.144 -10.736 -7.549 586 H ASP 66 H ASP 66 24.158 -8.292 -11.802 587 HA ASP 66 HA ASP 66 23.286 -5.468 -11.720 588 HB2 ASP 66 2HB ASP 66 25.717 -5.350 -12.082 589 HB3 ASP 66 3HB ASP 66 25.594 -6.473 -13.430 Start of MODEL 14 1 H1 GLY -1 1H GLY -1 -15.043 -8.294 23.071 2 H2 GLY -1 2H GLY -1 -16.204 -8.634 21.964 3 H3 GLY -1 3H GLY -1 -15.793 -7.077 22.271 4 HA2 GLY -1 2HA GLY -1 -14.046 -9.105 21.031 5 HA3 GLY -1 3HA GLY -1 -14.842 -7.771 20.176 6 H SER 0 H SER 0 -12.750 -7.059 19.472 7 HA SER 0 HA SER 0 -11.422 -5.222 21.370 8 HB2 SER 0 2HB SER 0 -10.108 -7.233 21.663 9 HB3 SER 0 3HB SER 0 -9.965 -7.456 19.911 10 HG SER 0 HG SER 0 -8.279 -6.211 21.397 11 H GLN 1 H GLN 1 -10.524 -3.454 20.408 12 HA GLN 1 HA GLN 1 -11.058 -2.901 17.569 13 HB2 GLN 1 2HB GLN 1 -9.658 -1.300 19.749 14 HB3 GLN 1 3HB GLN 1 -9.962 -0.723 18.104 15 HG2 GLN 1 2HG GLN 1 -12.407 -1.006 18.446 16 HG3 GLN 1 3HG GLN 1 -12.118 -1.526 20.108 17 HE21 GLN 1 1HE2 GLN 1 -13.787 0.513 20.033 18 HE22 GLN 1 2HE2 GLN 1 -12.981 2.032 20.405 19 H ARG 2 H ARG 2 -8.403 -4.166 19.431 20 HA ARG 2 HA ARG 2 -6.390 -3.701 17.280 21 HB2 ARG 2 2HB ARG 2 -5.826 -3.319 19.686 22 HB3 ARG 2 3HB ARG 2 -6.131 -5.029 20.008 23 HG2 ARG 2 2HG ARG 2 -4.281 -5.613 18.381 24 HG3 ARG 2 3HG ARG 2 -4.002 -3.884 18.138 25 HD2 ARG 2 2HD ARG 2 -2.373 -4.736 19.701 26 HD3 ARG 2 3HD ARG 2 -3.460 -3.649 20.558 27 HE ARG 2 HE ARG 2 -3.514 -6.668 20.675 28 HH11 ARG 2 1HH1 ARG 2 -4.241 -3.661 22.353 29 HH12 ARG 2 2HH1 ARG 2 -4.779 -4.516 23.773 30 HH21 ARG 2 1HH2 ARG 2 -4.208 -7.634 22.406 31 HH22 ARG 2 2HH2 ARG 2 -4.749 -6.743 23.821 32 H ARG 3 H ARG 3 -8.075 -6.358 18.891 33 HA ARG 3 HA ARG 3 -8.152 -8.616 18.560 34 HB2 ARG 3 2HB ARG 3 -9.210 -9.270 16.509 35 HB3 ARG 3 3HB ARG 3 -9.866 -7.746 17.086 36 HG2 ARG 3 2HG ARG 3 -8.668 -6.490 15.382 37 HG3 ARG 3 3HG ARG 3 -7.761 -7.928 14.884 38 HD2 ARG 3 2HD ARG 3 -9.934 -9.007 14.216 39 HD3 ARG 3 3HD ARG 3 -10.765 -7.513 14.647 40 HE ARG 3 HE ARG 3 -9.970 -6.473 12.727 41 HH11 ARG 3 1HH1 ARG 3 -8.307 -9.554 12.980 42 HH12 ARG 3 2HH1 ARG 3 -7.658 -9.431 11.367 43 HH21 ARG 3 1HH2 ARG 3 -9.107 -6.393 10.689 44 HH22 ARG 3 2HH2 ARG 3 -8.093 -7.684 10.117 45 H GLN 4 H GLN 4 -5.469 -7.799 18.540 46 HA GLN 4 HA GLN 4 -3.353 -8.352 18.126 47 HB2 GLN 4 2HB GLN 4 -4.445 -11.104 17.474 48 HB3 GLN 4 3HB GLN 4 -2.782 -10.718 17.896 49 HG2 GLN 4 2HG GLN 4 -5.203 -10.405 19.729 50 HG3 GLN 4 3HG GLN 4 -3.978 -11.662 19.811 51 HE21 GLN 4 1HE2 GLN 4 -1.755 -11.039 20.503 52 HE22 GLN 4 2HE2 GLN 4 -1.547 -9.550 21.414 53 H ARG 5 H ARG 5 -5.353 -8.609 15.382 54 HA ARG 5 HA ARG 5 -5.094 -8.380 13.162 55 HB2 ARG 5 2HB ARG 5 -2.376 -7.142 13.727 56 HB3 ARG 5 3HB ARG 5 -3.347 -6.976 12.266 57 HG2 ARG 5 2HG ARG 5 -5.196 -5.983 13.803 58 HG3 ARG 5 3HG ARG 5 -3.922 -5.874 15.029 59 HD2 ARG 5 2HD ARG 5 -4.041 -3.756 13.995 60 HD3 ARG 5 3HD ARG 5 -2.559 -4.516 13.384 61 HE ARG 5 HE ARG 5 -4.607 -5.154 11.548 62 HH11 ARG 5 1HH1 ARG 5 -3.175 -2.129 12.646 63 HH12 ARG 5 2HH1 ARG 5 -3.636 -1.323 11.151 64 HH21 ARG 5 1HH2 ARG 5 -5.080 -3.995 9.676 65 HH22 ARG 5 2HH2 ARG 5 -4.606 -2.307 9.603 66 H THR 6 H THR 6 -3.602 -8.755 11.203 67 HA THR 6 HA THR 6 -2.384 -11.478 11.387 68 HB THR 6 HB THR 6 -3.622 -11.957 9.229 69 HG1 THR 6 1HG THR 6 -5.410 -10.701 8.791 70 HG21 THR 6 1HG2 THR 6 -5.722 -12.557 10.304 71 HG22 THR 6 2HG2 THR 6 -5.407 -11.439 11.647 72 HG23 THR 6 3HG2 THR 6 -4.381 -12.871 11.415 73 H HIS 7 H HIS 7 -1.195 -12.144 9.476 74 HA HIS 7 HA HIS 7 0.721 -10.177 8.582 75 HB2 HIS 7 2HB HIS 7 1.223 -12.568 9.018 76 HB3 HIS 7 3HB HIS 7 0.224 -13.021 7.635 77 HD2 HIS 7 2HD HIS 7 1.974 -13.899 5.921 78 HE1 HIS 7 1HE HIS 7 4.710 -10.626 5.941 79 HE2 HIS 7 2HE HIS 7 4.135 -12.849 4.838 80 H PHE 8 H PHE 8 1.278 -9.814 6.294 81 HA PHE 8 HA PHE 8 -0.943 -8.761 4.736 82 HB2 PHE 8 2HB PHE 8 1.941 -9.284 3.929 83 HB3 PHE 8 3HB PHE 8 0.785 -8.290 3.061 84 HD1 PHE 8 2HD PHE 8 3.041 -8.467 5.986 85 HD2 PHE 8 1HD PHE 8 0.271 -6.009 3.780 86 HE1 PHE 8 2HE PHE 8 3.921 -6.455 7.131 87 HE2 PHE 8 1HE PHE 8 1.194 -3.986 4.894 88 HZ PHE 8 HZ PHE 8 3.027 -4.205 6.563 89 H THR 9 H THR 9 -1.814 -9.564 2.775 90 HA THR 9 HA THR 9 -1.519 -12.446 2.237 91 HB THR 9 HB THR 9 -3.132 -12.195 0.511 92 HG1 THR 9 1HG THR 9 -3.984 -10.140 0.023 93 HG21 THR 9 1HG2 THR 9 -4.008 -12.174 2.851 94 HG22 THR 9 2HG2 THR 9 -5.059 -11.340 1.693 95 HG23 THR 9 3HG2 THR 9 -4.038 -10.397 2.796 96 H SER 10 H SER 10 -0.838 -13.332 0.155 97 HA SER 10 HA SER 10 1.584 -12.313 -0.903 98 HB2 SER 10 2HB SER 10 -0.462 -14.087 -2.298 99 HB3 SER 10 3HB SER 10 1.253 -13.915 -2.720 100 HG SER 10 HG SER 10 0.864 -15.770 -1.413 101 H GLN 11 H GLN 11 -1.773 -11.685 -1.879 102 HA GLN 11 HA GLN 11 -1.159 -10.230 -4.293 103 HB2 GLN 11 2HB GLN 11 -3.659 -10.242 -2.536 104 HB3 GLN 11 3HB GLN 11 -3.512 -9.491 -4.119 105 HG2 GLN 11 2HG GLN 11 -4.542 -11.514 -4.605 106 HG3 GLN 11 3HG GLN 11 -2.862 -11.781 -5.050 107 HE21 GLN 11 1HE2 GLN 11 -3.904 -14.102 -4.903 108 HE22 GLN 11 2HE2 GLN 11 -3.745 -14.875 -3.331 109 H GLN 12 H GLN 12 -1.804 -9.160 -0.897 110 HA GLN 12 HA GLN 12 -1.556 -6.339 -1.400 111 HB2 GLN 12 2HB GLN 12 -1.115 -8.101 1.034 112 HB3 GLN 12 3HB GLN 12 -0.855 -6.360 1.092 113 HG2 GLN 12 2HG GLN 12 -3.134 -5.873 0.540 114 HG3 GLN 12 3HG GLN 12 -3.499 -7.551 0.169 115 HE21 GLN 12 1HE2 GLN 12 -4.921 -5.881 2.081 116 HE22 GLN 12 2HE2 GLN 12 -4.725 -6.685 3.637 117 H LEU 13 H LEU 13 0.898 -8.801 -0.474 118 HA LEU 13 HA LEU 13 3.125 -6.992 -0.437 119 HB2 LEU 13 2HB LEU 13 2.945 -10.001 -0.908 120 HB3 LEU 13 3HB LEU 13 4.463 -9.137 -0.692 121 HG LEU 13 HG LEU 13 2.249 -9.237 1.403 122 HD11 LEU 13 1HD1 LEU 13 3.714 -10.797 2.598 123 HD12 LEU 13 2HD1 LEU 13 4.876 -10.767 1.249 124 HD13 LEU 13 3HD1 LEU 13 3.251 -11.454 1.022 125 HD21 LEU 13 3HD2 LEU 13 3.615 -7.258 1.694 126 HD22 LEU 13 1HD2 LEU 13 5.112 -8.215 1.510 127 HD23 LEU 13 2HD2 LEU 13 4.061 -8.440 2.928 128 H GLN 14 H GLN 14 1.847 -9.045 -3.112 129 HA GLN 14 HA GLN 14 3.822 -8.258 -5.023 130 HB2 GLN 14 2HB GLN 14 2.365 -10.240 -5.217 131 HB3 GLN 14 3HB GLN 14 0.953 -9.196 -5.438 132 HG2 GLN 14 2HG GLN 14 1.928 -8.308 -7.536 133 HG3 GLN 14 3HG GLN 14 3.384 -9.280 -7.285 134 HE21 GLN 14 1HE2 GLN 14 3.134 -11.700 -7.390 135 HE22 GLN 14 2HE2 GLN 14 1.794 -12.345 -8.329 136 H GLU 15 H GLU 15 0.595 -6.834 -4.259 137 HA GLU 15 HA GLU 15 0.701 -4.829 -6.295 138 HB2 GLU 15 2HB GLU 15 -1.339 -5.634 -5.010 139 HB3 GLU 15 3HB GLU 15 -0.765 -4.690 -3.633 140 HG2 GLU 15 2HG GLU 15 -2.396 -3.365 -4.725 141 HG3 GLU 15 3HG GLU 15 -0.858 -2.630 -5.142 142 H LEU 16 H LEU 16 1.768 -4.724 -2.847 143 HA LEU 16 HA LEU 16 2.613 -1.971 -2.934 144 HB2 LEU 16 2HB LEU 16 3.162 -4.332 -1.122 145 HB3 LEU 16 3HB LEU 16 4.015 -2.814 -0.899 146 HG LEU 16 HG LEU 16 0.995 -2.824 -1.031 147 HD11 LEU 16 1HD1 LEU 16 1.018 -2.890 1.457 148 HD12 LEU 16 2HD1 LEU 16 2.768 -3.187 1.436 149 HD13 LEU 16 3HD1 LEU 16 1.649 -4.396 0.773 150 HD21 LEU 16 3HD2 LEU 16 1.252 -0.783 0.319 151 HD22 LEU 16 1HD2 LEU 16 2.114 -0.644 -1.218 152 HD23 LEU 16 2HD2 LEU 16 3.019 -0.960 0.278 153 H GLU 17 H GLU 17 4.407 -5.019 -3.574 154 HA GLU 17 HA GLU 17 6.938 -3.751 -4.057 155 HB2 GLU 17 2HB GLU 17 6.733 -6.135 -3.600 156 HB3 GLU 17 3HB GLU 17 5.725 -6.365 -5.025 157 HG2 GLU 17 2HG GLU 17 7.967 -7.194 -5.413 158 HG3 GLU 17 3HG GLU 17 7.576 -5.880 -6.513 159 H ALA 18 H ALA 18 4.264 -4.604 -6.332 160 HA ALA 18 HA ALA 18 5.517 -3.500 -8.660 161 HB1 ALA 18 1HB ALA 18 3.232 -3.575 -9.593 162 HB2 ALA 18 2HB ALA 18 3.621 -5.075 -8.728 163 HB3 ALA 18 3HB ALA 18 2.565 -3.861 -7.971 164 H THR 19 H THR 19 3.368 -2.027 -6.207 165 HA THR 19 HA THR 19 3.102 0.581 -7.301 166 HB THR 19 HB THR 19 3.133 -0.442 -4.444 167 HG1 THR 19 1HG THR 19 1.446 -1.176 -5.579 168 HG21 THR 19 1HG2 THR 19 1.923 1.542 -3.765 169 HG22 THR 19 2HG2 THR 19 2.211 2.300 -5.358 170 HG23 THR 19 3HG2 THR 19 3.572 1.951 -4.256 171 H PHE 20 H PHE 20 5.635 -0.665 -5.032 172 HA PHE 20 HA PHE 20 7.082 1.810 -4.985 173 HB2 PHE 20 2HB PHE 20 7.156 -0.125 -3.315 174 HB3 PHE 20 3HB PHE 20 8.192 -0.967 -4.446 175 HD1 PHE 20 2HD PHE 20 7.869 2.358 -2.685 176 HD2 PHE 20 1HD PHE 20 10.533 -0.674 -4.194 177 HE1 PHE 20 2HE PHE 20 9.787 3.505 -1.598 178 HE2 PHE 20 1HE PHE 20 12.453 0.481 -3.106 179 HZ PHE 20 HZ PHE 20 12.079 2.565 -1.809 180 H GLN 21 H GLN 21 7.507 -1.130 -7.040 181 HA GLN 21 HA GLN 21 9.858 -0.082 -8.355 182 HB2 GLN 21 2HB GLN 21 7.920 -2.331 -8.990 183 HB3 GLN 21 3HB GLN 21 9.280 -1.943 -10.043 184 HG2 GLN 21 2HG GLN 21 9.615 -2.586 -7.076 185 HG3 GLN 21 3HG GLN 21 9.714 -3.784 -8.365 186 HE21 GLN 21 1HE2 GLN 21 11.496 -3.589 -9.967 187 HE22 GLN 21 2HE2 GLN 21 12.934 -2.688 -9.521 188 H ARG 22 H ARG 22 6.392 0.195 -9.136 189 HA ARG 22 HA ARG 22 6.814 1.497 -11.707 190 HB2 ARG 22 2HB ARG 22 4.767 0.245 -11.084 191 HB3 ARG 22 3HB ARG 22 4.386 1.468 -9.862 192 HG2 ARG 22 2HG ARG 22 4.148 3.179 -11.630 193 HG3 ARG 22 3HG ARG 22 4.632 1.995 -12.861 194 HD2 ARG 22 2HD ARG 22 2.662 0.609 -12.309 195 HD3 ARG 22 3HD ARG 22 2.171 1.756 -11.066 196 HE ARG 22 HE ARG 22 1.948 2.049 -13.995 197 HH11 ARG 22 1HH1 ARG 22 1.661 3.778 -10.955 198 HH12 ARG 22 2HH1 ARG 22 0.724 5.058 -11.675 199 HH21 ARG 22 1HH2 ARG 22 0.751 3.710 -14.836 200 HH22 ARG 22 2HH2 ARG 22 0.225 5.014 -13.812 201 H ASN 23 H ASN 23 6.311 2.696 -8.394 202 HA ASN 23 HA ASN 23 7.398 5.344 -9.216 203 HB2 ASN 23 2HB ASN 23 4.910 5.454 -9.304 204 HB3 ASN 23 3HB ASN 23 4.825 4.931 -7.621 205 HD21 ASN 23 1HD2 ASN 23 6.006 6.383 -6.022 206 HD22 ASN 23 2HD2 ASN 23 5.986 8.117 -6.368 207 H ARG 24 H ARG 24 9.349 4.914 -8.177 208 HA ARG 24 HA ARG 24 9.595 3.920 -5.490 209 HB2 ARG 24 2HB ARG 24 11.445 5.530 -7.301 210 HB3 ARG 24 3HB ARG 24 11.911 5.081 -5.667 211 HG2 ARG 24 2HG ARG 24 11.148 3.052 -7.810 212 HG3 ARG 24 3HG ARG 24 12.798 3.558 -7.422 213 HD2 ARG 24 2HD ARG 24 12.385 2.832 -5.027 214 HD3 ARG 24 3HD ARG 24 10.855 2.154 -5.548 215 HE ARG 24 HE ARG 24 11.979 0.483 -6.837 216 HH11 ARG 24 1HH1 ARG 24 14.273 2.388 -4.990 217 HH12 ARG 24 2HH1 ARG 24 15.524 1.187 -5.148 218 HH21 ARG 24 1HH2 ARG 24 13.583 -0.898 -7.102 219 HH22 ARG 24 2HH2 ARG 24 15.194 -0.575 -6.470 220 H TYR 25 H TYR 25 9.933 4.895 -3.588 221 HA TYR 25 HA TYR 25 9.395 6.310 -1.892 222 HB2 TYR 25 2HB TYR 25 10.814 8.330 -3.638 223 HB3 TYR 25 3HB TYR 25 10.694 8.332 -1.881 224 HD1 TYR 25 2HD TYR 25 11.483 5.965 -0.768 225 HD2 TYR 25 1HD TYR 25 12.820 7.528 -4.563 226 HE1 TYR 25 2HE TYR 25 13.501 4.532 -0.654 227 HE2 TYR 25 1HE TYR 25 14.884 6.143 -4.403 228 HH TYR 25 HH TYR 25 16.055 4.614 -3.168 229 HA PRO 26 HA PRO 26 5.594 8.188 -3.964 230 HB2 PRO 26 2HB PRO 26 3.717 6.856 -2.452 231 HB3 PRO 26 3HB PRO 26 4.399 6.239 -3.986 232 HG2 PRO 26 2HG PRO 26 5.259 5.559 -1.160 233 HG3 PRO 26 3HG PRO 26 4.940 4.440 -2.520 234 HD2 PRO 26 2HD PRO 26 7.446 5.219 -1.861 235 HD3 PRO 26 3HD PRO 26 6.972 5.018 -3.572 236 H ASP 27 H ASP 27 4.261 9.793 -3.108 237 HA ASP 27 HA ASP 27 5.118 11.146 -0.700 238 HB2 ASP 27 2HB ASP 27 4.273 12.335 -2.680 239 HB3 ASP 27 3HB ASP 27 2.709 11.537 -2.519 240 H MET 28 H MET 28 3.846 11.526 1.227 241 HA MET 28 HA MET 28 2.812 9.147 2.349 242 HB2 MET 28 2HB MET 28 2.436 12.013 3.315 243 HB3 MET 28 3HB MET 28 2.188 10.554 4.282 244 HG2 MET 28 2HG MET 28 4.809 11.490 3.066 245 HG3 MET 28 3HG MET 28 4.367 11.556 4.765 246 HE1 MET 28 3HE MET 28 7.082 10.480 3.920 247 HE2 MET 28 1HE MET 28 7.242 8.748 3.565 248 HE3 MET 28 2HE MET 28 6.537 9.839 2.350 249 H SER 29 H SER 29 1.009 11.722 0.666 250 HA SER 29 HA SER 29 -1.606 10.641 1.449 251 HB2 SER 29 2HB SER 29 -0.806 12.599 -0.734 252 HB3 SER 29 3HB SER 29 -2.470 12.168 -0.299 253 HG SER 29 HG SER 29 -1.724 14.092 0.758 254 H THR 30 H THR 30 0.652 10.148 -1.284 255 HA THR 30 HA THR 30 -1.130 8.518 -2.887 256 HB THR 30 HB THR 30 1.908 8.397 -2.728 257 HG1 THR 30 1HG THR 30 0.239 9.944 -4.422 258 HG21 THR 30 1HG2 THR 30 -0.029 7.607 -4.944 259 HG22 THR 30 2HG2 THR 30 0.991 6.509 -3.987 260 HG23 THR 30 3HG2 THR 30 1.745 7.666 -5.090 261 H ARG 31 H ARG 31 1.347 7.743 -0.405 262 HA ARG 31 HA ARG 31 0.911 4.930 -0.221 263 HB2 ARG 31 2HB ARG 31 1.618 6.907 1.995 264 HB3 ARG 31 3HB ARG 31 1.769 5.155 2.113 265 HG2 ARG 31 2HG ARG 31 3.433 5.155 0.277 266 HG3 ARG 31 3HG ARG 31 3.274 6.896 0.121 267 HD2 ARG 31 2HD ARG 31 3.928 7.029 2.611 268 HD3 ARG 31 3HD ARG 31 4.438 5.338 2.440 269 HE ARG 31 HE ARG 31 5.441 7.424 0.547 270 HH11 ARG 31 1HH2 ARG 31 6.411 5.357 3.229 271 HH12 ARG 31 2HH2 ARG 31 8.093 5.659 2.910 272 HH21 ARG 31 1HH1 ARG 31 7.455 7.790 0.273 273 HH22 ARG 31 2HH1 ARG 31 8.694 7.040 1.266 274 H GLU 32 H GLU 32 -0.889 7.579 1.340 275 HA GLU 32 HA GLU 32 -2.543 5.848 2.927 276 HB2 GLU 32 2HB GLU 32 -1.962 8.299 3.270 277 HB3 GLU 32 3HB GLU 32 -3.154 8.705 2.042 278 HG2 GLU 32 2HG GLU 32 -4.944 7.795 3.416 279 HG3 GLU 32 3HG GLU 32 -3.787 7.122 4.565 280 H GLU 33 H GLU 33 -3.034 7.244 -0.343 281 HA GLU 33 HA GLU 33 -5.718 6.172 -0.646 282 HB2 GLU 33 2HB GLU 33 -3.611 7.049 -2.656 283 HB3 GLU 33 3HB GLU 33 -5.204 6.458 -3.121 284 HG2 GLU 33 2HG GLU 33 -4.753 8.872 -1.316 285 HG3 GLU 33 3HG GLU 33 -4.998 8.954 -3.054 286 H ILE 34 H ILE 34 -2.467 4.857 -1.653 287 HA ILE 34 HA ILE 34 -3.715 2.470 -2.674 288 HB ILE 34 HB ILE 34 -1.568 1.492 -2.924 289 HG12 ILE 34 2HG1 ILE 34 0.507 2.934 -2.426 290 HG13 ILE 34 3HG1 ILE 34 -0.499 3.757 -1.245 291 HG21 ILE 34 1HG2 ILE 34 -0.618 3.076 -4.474 292 HG22 ILE 34 2HG2 ILE 34 -2.379 3.224 -4.528 293 HG23 ILE 34 3HG2 ILE 34 -1.410 4.436 -3.661 294 HD11 ILE 34 3HD1 ILE 34 0.993 1.888 -0.395 295 HD12 ILE 34 1HD1 ILE 34 -0.697 1.739 0.076 296 HD13 ILE 34 2HD1 ILE 34 -0.053 0.744 -1.254 297 H ALA 35 H ALA 35 -2.825 3.341 0.602 298 HA ALA 35 HA ALA 35 -2.971 0.736 1.775 299 HB1 ALA 35 1HB ALA 35 -2.078 2.741 2.914 300 HB2 ALA 35 2HB ALA 35 -3.717 3.425 2.993 301 HB3 ALA 35 3HB ALA 35 -3.331 1.929 3.861 302 H VAL 36 H VAL 36 -5.642 3.156 1.229 303 HA VAL 36 HA VAL 36 -7.633 1.300 2.217 304 HB VAL 36 HB VAL 36 -9.326 2.801 1.323 305 HG11 VAL 36 1HG1 VAL 36 -8.330 3.170 3.561 306 HG12 VAL 36 2HG1 VAL 36 -7.132 4.270 2.834 307 HG13 VAL 36 3HG1 VAL 36 -8.856 4.681 2.793 308 HG21 VAL 36 3HG2 VAL 36 -7.075 4.625 0.427 309 HG22 VAL 36 1HG2 VAL 36 -8.114 3.696 -0.676 310 HG23 VAL 36 2HG2 VAL 36 -8.814 4.947 0.355 311 H TRP 37 H TRP 37 -6.277 1.819 -1.022 312 HA TRP 37 HA TRP 37 -8.181 0.112 -2.372 313 HB2 TRP 37 2HB TRP 37 -5.352 0.856 -3.135 314 HB3 TRP 37 3HB TRP 37 -6.553 0.155 -4.211 315 HD1 TRP 37 1HD TRP 37 -8.600 2.484 -2.582 316 HE1 TRP 37 1HE TRP 37 -8.595 4.859 -3.547 317 HE3 TRP 37 3HE TRP 37 -4.446 2.109 -5.529 318 HZ2 TRP 37 2HZ TRP 37 -7.027 6.375 -5.448 319 HZ3 TRP 37 3HZ TRP 37 -3.710 4.040 -6.912 320 HH2 TRP 37 2HH TRP 37 -4.986 6.172 -6.877 321 H THR 38 H THR 38 -5.094 -0.588 -0.742 322 HA THR 38 HA THR 38 -5.255 -3.474 -1.393 323 HB THR 38 HB THR 38 -3.203 -3.650 0.022 324 HG1 THR 38 1HG THR 38 -3.193 -0.834 -0.091 325 HG21 THR 38 1HG2 THR 38 -1.686 -2.541 -1.552 326 HG22 THR 38 2HG2 THR 38 -3.047 -1.635 -2.254 327 HG23 THR 38 3HG2 THR 38 -2.985 -3.406 -2.391 328 H ASN 39 H ASN 39 -6.784 -1.565 0.822 329 HA ASN 39 HA ASN 39 -7.793 -1.764 2.774 330 HB2 ASN 39 2HB ASN 39 -8.854 -3.669 1.411 331 HB3 ASN 39 3HB ASN 39 -7.888 -4.777 2.387 332 HD21 ASN 39 2HD2 ASN 39 -8.168 -4.408 4.862 333 HD22 ASN 39 1HD2 ASN 39 -9.833 -4.112 5.384 334 H LEU 40 H LEU 40 -5.381 -1.206 3.175 335 HA LEU 40 HA LEU 40 -4.463 -2.674 5.608 336 HB2 LEU 40 2HB LEU 40 -2.847 -1.375 3.375 337 HB3 LEU 40 3HB LEU 40 -2.149 -1.847 4.918 338 HG LEU 40 HG LEU 40 -3.452 -3.796 2.969 339 HD11 LEU 40 1HD1 LEU 40 -0.526 -3.208 3.563 340 HD12 LEU 40 2HD1 LEU 40 -1.391 -2.808 2.070 341 HD13 LEU 40 3HD1 LEU 40 -1.142 -4.501 2.506 342 HD21 LEU 40 3HD2 LEU 40 -1.847 -4.189 5.541 343 HD22 LEU 40 1HD2 LEU 40 -2.251 -5.485 4.400 344 HD23 LEU 40 2HD2 LEU 40 -3.546 -4.649 5.256 345 H THR 41 H THR 41 -3.067 -1.266 6.964 346 HA THR 41 HA THR 41 -4.359 1.354 7.484 347 HB THR 41 HB THR 41 -2.232 -0.151 9.052 348 HG1 THR 41 1HG THR 41 -5.026 0.113 9.447 349 HG21 THR 41 1HG2 THR 41 -3.961 2.237 9.820 350 HG22 THR 41 2HG2 THR 41 -2.189 2.206 9.673 351 HG23 THR 41 3HG2 THR 41 -2.979 1.277 10.951 352 H GLU 42 H GLU 42 -3.387 3.303 7.068 353 HA GLU 42 HA GLU 42 -1.287 3.393 5.183 354 HB2 GLU 42 2HB GLU 42 -1.412 5.727 5.266 355 HB3 GLU 42 3HB GLU 42 -3.043 5.092 5.439 356 HG2 GLU 42 2HG GLU 42 -1.284 6.285 7.623 357 HG3 GLU 42 3HG GLU 42 -2.690 7.036 6.888 358 H ALA 43 H ALA 43 -1.011 3.909 8.746 359 HA ALA 43 HA ALA 43 1.774 4.514 8.697 360 HB1 ALA 43 1HB ALA 43 1.686 3.918 11.093 361 HB2 ALA 43 2HB ALA 43 0.290 4.908 10.627 362 HB3 ALA 43 3HB ALA 43 0.098 3.155 10.859 363 H ARG 44 H ARG 44 0.121 1.351 8.798 364 HA ARG 44 HA ARG 44 2.495 -0.296 9.048 365 HB2 ARG 44 2HB ARG 44 0.259 -1.089 9.632 366 HB3 ARG 44 3HB ARG 44 -0.300 -0.870 7.971 367 HG2 ARG 44 2HG ARG 44 1.158 -2.629 7.165 368 HG3 ARG 44 3HG ARG 44 1.891 -2.822 8.775 369 HD2 ARG 44 2HD ARG 44 -0.224 -3.555 9.714 370 HD3 ARG 44 3HD ARG 44 -1.084 -3.193 8.203 371 HE ARG 44 HE ARG 44 0.790 -4.972 7.350 372 HH11 ARG 44 2HH2 ARG 44 -1.512 -5.284 10.009 373 HH12 ARG 44 1HH2 ARG 44 -1.576 -7.027 9.782 374 HH21 ARG 44 1HH1 ARG 44 0.574 -7.169 7.192 375 HH22 ARG 44 2HH1 ARG 44 -0.519 -7.992 8.307 376 H VAL 45 H VAL 45 0.688 0.923 6.245 377 HA VAL 45 HA VAL 45 2.374 -0.203 4.194 378 HB VAL 45 HB VAL 45 0.400 2.084 4.342 379 HG11 VAL 45 1HG1 VAL 45 1.869 1.228 1.834 380 HG12 VAL 45 2HG1 VAL 45 0.475 2.340 1.941 381 HG13 VAL 45 3HG1 VAL 45 2.009 2.811 2.645 382 HG21 VAL 45 3HG2 VAL 45 -0.468 -0.224 4.370 383 HG22 VAL 45 1HG2 VAL 45 -0.904 0.594 2.866 384 HG23 VAL 45 2HG2 VAL 45 0.417 -0.588 2.873 385 H ARG 46 H ARG 46 2.498 2.992 5.844 386 HA ARG 46 HA ARG 46 4.793 3.996 4.464 387 HB2 ARG 46 2HB ARG 46 3.555 4.560 7.181 388 HB3 ARG 46 3HB ARG 46 4.996 5.417 6.645 389 HG2 ARG 46 2HG ARG 46 3.891 6.407 4.790 390 HG3 ARG 46 3HG ARG 46 2.501 5.325 4.909 391 HD2 ARG 46 2HD ARG 46 1.957 6.353 7.131 392 HD3 ARG 46 3HD ARG 46 3.254 7.537 6.859 393 HE ARG 46 HE ARG 46 1.731 7.734 4.571 394 HH11 ARG 46 1HH1 ARG 46 0.861 8.119 7.955 395 HH12 ARG 46 2HH1 ARG 46 -0.566 9.037 7.544 396 HH21 ARG 46 1HH2 ARG 46 -0.088 8.919 4.163 397 HH22 ARG 46 2HH2 ARG 46 -1.186 9.303 5.460 398 H VAL 47 H VAL 47 4.627 1.999 7.413 399 HA VAL 47 HA VAL 47 7.502 1.734 7.694 400 HB VAL 47 HB VAL 47 5.189 0.067 8.736 401 HG11 VAL 47 1HG1 VAL 47 8.162 -0.195 9.383 402 HG12 VAL 47 2HG1 VAL 47 6.843 -0.936 10.316 403 HG13 VAL 47 3HG1 VAL 47 7.125 -1.439 8.651 404 HG21 VAL 47 3HG2 VAL 47 5.763 1.136 10.872 405 HG22 VAL 47 1HG2 VAL 47 7.122 1.994 10.113 406 HG23 VAL 47 2HG2 VAL 47 5.454 2.386 9.664 407 H TRP 48 H TRP 48 5.080 -0.228 5.862 408 HA TRP 48 HA TRP 48 6.820 -2.320 5.157 409 HB2 TRP 48 2HB TRP 48 4.348 -2.262 4.777 410 HB3 TRP 48 3HB TRP 48 4.612 -1.193 3.402 411 HD1 TRP 48 1HD TRP 48 4.760 -4.784 4.469 412 HE1 TRP 48 1HE TRP 48 5.401 -6.314 2.522 413 HE3 TRP 48 3HE TRP 48 6.033 -1.221 0.999 414 HZ2 TRP 48 2HZ TRP 48 6.441 -6.050 -0.153 415 HZ3 TRP 48 3HZ TRP 48 6.916 -1.903 -1.220 416 HH2 TRP 48 2HH TRP 48 7.138 -4.309 -1.796 417 H PHE 49 H PHE 49 6.320 0.770 3.323 418 HA PHE 49 HA PHE 49 8.211 0.104 1.275 419 HB2 PHE 49 2HB PHE 49 7.295 2.807 2.315 420 HB3 PHE 49 3HB PHE 49 8.285 2.582 0.880 421 HD1 PHE 49 1HD PHE 49 7.273 0.670 -0.817 422 HD2 PHE 49 2HD PHE 49 5.005 3.150 1.880 423 HE1 PHE 49 1HE PHE 49 5.262 0.415 -2.262 424 HE2 PHE 49 2HE PHE 49 3.017 2.916 0.409 425 HZ PHE 49 HZ PHE 49 3.147 1.560 -1.658 426 H LYS 50 H LYS 50 8.736 1.649 4.450 427 HA LYS 50 HA LYS 50 11.570 2.177 4.072 428 HB2 LYS 50 2HB LYS 50 9.872 1.790 6.576 429 HB3 LYS 50 3HB LYS 50 11.573 2.261 6.594 430 HG2 LYS 50 2HG LYS 50 11.105 4.334 5.423 431 HG3 LYS 50 3HG LYS 50 9.443 3.853 5.106 432 HD2 LYS 50 2HD LYS 50 9.463 5.465 6.916 433 HD3 LYS 50 3HD LYS 50 8.900 3.903 7.488 434 HE2 LYS 50 2HE LYS 50 10.317 4.806 9.179 435 HE3 LYS 50 3HE LYS 50 11.172 3.448 8.451 436 HZ1 LYS 50 3HZ LYS 50 12.474 5.069 7.152 437 HZ2 LYS 50 1HZ LYS 50 12.617 5.387 8.744 438 HZ3 LYS 50 2HZ LYS 50 11.653 6.318 7.818 439 H ASN 51 H ASN 51 9.786 -0.619 5.388 440 HA ASN 51 HA ASN 51 12.082 -2.195 6.042 441 HB2 ASN 51 2HB ASN 51 9.697 -2.500 6.840 442 HB3 ASN 51 3HB ASN 51 9.291 -3.147 5.252 443 HD21 ASN 51 1HD2 ASN 51 10.993 -3.750 8.276 444 HD22 ASN 51 2HD2 ASN 51 11.313 -5.446 7.943 445 H ARG 52 H ARG 52 10.112 -2.064 3.038 446 HA ARG 52 HA ARG 52 11.612 -3.941 1.500 447 HB2 ARG 52 2HB ARG 52 9.338 -2.868 1.025 448 HB3 ARG 52 3HB ARG 52 10.198 -1.459 0.425 449 HG2 ARG 52 2HG ARG 52 10.396 -4.302 -0.686 450 HG3 ARG 52 3HG ARG 52 9.399 -3.000 -1.339 451 HD2 ARG 52 2HD ARG 52 11.489 -1.657 -1.726 452 HD3 ARG 52 3HD ARG 52 12.422 -3.111 -1.295 453 HE ARG 52 HE ARG 52 10.579 -3.871 -3.305 454 HH11 ARG 52 1HH1 ARG 52 13.440 -1.853 -3.027 455 HH12 ARG 52 2HH1 ARG 52 13.917 -2.152 -4.672 456 HH21 ARG 52 1HH2 ARG 52 11.263 -4.229 -5.367 457 HH22 ARG 52 2HH2 ARG 52 12.665 -3.386 -5.990 458 H ARG 53 H ARG 53 12.066 -0.366 1.787 459 HA ARG 53 HA ARG 53 14.397 -0.209 0.166 460 HB2 ARG 53 2HB ARG 53 12.982 1.711 1.168 461 HB3 ARG 53 3HB ARG 53 13.951 1.510 2.636 462 HG2 ARG 53 2HG ARG 53 16.028 1.780 1.080 463 HG3 ARG 53 3HG ARG 53 14.870 2.259 -0.169 464 HD2 ARG 53 2HD ARG 53 14.048 4.033 1.524 465 HD3 ARG 53 3HD ARG 53 15.482 3.616 2.480 466 HE ARG 53 HE ARG 53 15.944 4.283 -0.370 467 HH11 ARG 53 1HH1 ARG 53 15.876 5.679 2.849 468 HH12 ARG 53 2HH1 ARG 53 16.804 7.066 2.350 469 HH21 ARG 53 1HH2 ARG 53 17.095 6.044 -0.924 470 HH22 ARG 53 2HH2 ARG 53 17.485 7.262 0.259 471 H ALA 54 H ALA 54 14.199 -0.873 3.697 472 HA ALA 54 HA ALA 54 17.005 -1.091 4.107 473 HB1 ALA 54 1HB ALA 54 14.725 -2.467 5.594 474 HB2 ALA 54 2HB ALA 54 16.386 -2.250 6.183 475 HB3 ALA 54 3HB ALA 54 15.351 -0.835 5.914 476 H LYS 55 H LYS 55 14.631 -3.706 3.311 477 HA LYS 55 HA LYS 55 16.546 -5.837 3.121 478 HB2 LYS 55 2HB LYS 55 13.823 -5.383 1.838 479 HB3 LYS 55 3HB LYS 55 14.762 -6.861 1.594 480 HG2 LYS 55 2HG LYS 55 14.784 -7.322 3.995 481 HG3 LYS 55 3HG LYS 55 13.880 -5.832 4.325 482 HD2 LYS 55 2HD LYS 55 11.987 -6.647 2.975 483 HD3 LYS 55 3HD LYS 55 12.859 -8.136 2.590 484 HE2 LYS 55 2HE LYS 55 12.090 -7.245 5.406 485 HE3 LYS 55 3HE LYS 55 11.129 -8.338 4.409 486 HZ1 LYS 55 3HZ LYS 55 13.037 -9.874 4.352 487 HZ2 LYS 55 1HZ LYS 55 12.529 -9.611 5.884 488 HZ3 LYS 55 2HZ LYS 55 13.890 -8.888 5.345 489 H TRP 56 H TRP 56 15.548 -3.452 0.701 490 HA TRP 56 HA TRP 56 17.014 -4.691 -1.473 491 HB2 TRP 56 2HB TRP 56 14.997 -3.411 -1.838 492 HB3 TRP 56 3HB TRP 56 15.709 -1.978 -1.107 493 HD1 TRP 56 1HD TRP 56 16.468 -4.278 -4.133 494 HE1 TRP 56 1HE TRP 56 17.388 -2.856 -6.061 495 HE3 TRP 56 3HE TRP 56 16.385 0.321 -1.867 496 HZ2 TRP 56 2HZ TRP 56 18.081 -0.094 -6.534 497 HZ3 TRP 56 3HZ TRP 56 17.230 2.323 -3.066 498 HH2 TRP 56 2HH TRP 56 18.093 2.129 -5.391 499 H ARG 57 H ARG 57 17.744 -1.934 0.683 500 HA ARG 57 HA ARG 57 20.324 -1.518 -0.750 501 HB2 ARG 57 2HB ARG 57 18.332 0.186 -0.556 502 HB3 ARG 57 3HB ARG 57 18.926 0.463 1.068 503 HG2 ARG 57 2HG ARG 57 19.763 2.154 -0.427 504 HG3 ARG 57 3HG ARG 57 21.136 1.173 0.095 505 HD2 ARG 57 2HD ARG 57 21.165 -0.013 -2.041 506 HD3 ARG 57 3HD ARG 57 19.633 0.738 -2.519 507 HE ARG 57 HE ARG 57 21.682 2.710 -1.949 508 HH11 ARG 57 1HH2 ARG 57 20.572 0.569 -4.490 509 HH12 ARG 57 2HH2 ARG 57 21.334 1.510 -5.744 510 HH21 ARG 57 1HH1 ARG 57 22.585 3.893 -3.602 511 HH22 ARG 57 2HH1 ARG 57 22.422 3.355 -5.248 512 H LYS 58 H LYS 58 19.242 -2.367 2.457 513 HA LYS 58 HA LYS 58 21.936 -1.640 3.598 514 HB2 LYS 58 2HB LYS 58 19.237 -1.802 4.988 515 HB3 LYS 58 3HB LYS 58 20.781 -1.411 5.744 516 HG2 LYS 58 2HG LYS 58 20.987 0.591 4.245 517 HG3 LYS 58 3HG LYS 58 19.367 0.246 3.605 518 HD2 LYS 58 2HD LYS 58 18.407 0.478 5.878 519 HD3 LYS 58 3HD LYS 58 20.030 0.796 6.533 520 HE2 LYS 58 2HE LYS 58 20.222 2.787 5.037 521 HE3 LYS 58 3HE LYS 58 18.580 2.493 4.448 522 HZ1 LYS 58 3HZ LYS 58 18.606 4.145 6.235 523 HZ2 LYS 58 1HZ LYS 58 19.302 3.097 7.271 524 HZ3 LYS 58 2HZ LYS 58 17.782 2.828 6.737 525 H ARG 59 H ARG 59 19.418 -4.144 3.751 526 HA ARG 59 HA ARG 59 21.426 -6.132 4.706 527 HB2 ARG 59 2HB ARG 59 20.301 -5.070 6.674 528 HB3 ARG 59 3HB ARG 59 18.744 -5.650 6.077 529 HG2 ARG 59 2HG ARG 59 19.555 -7.999 6.248 530 HG3 ARG 59 3HG ARG 59 21.136 -7.428 6.792 531 HD2 ARG 59 2HD ARG 59 18.506 -6.911 8.244 532 HD3 ARG 59 3HD ARG 59 19.614 -8.244 8.614 533 HE ARG 59 HE ARG 59 21.157 -5.894 8.722 534 HH11 ARG 59 1HH1 ARG 59 18.487 -7.236 10.550 535 HH12 ARG 59 2HH1 ARG 59 18.953 -6.410 12.012 536 HH21 ARG 59 1HH2 ARG 59 21.693 -4.865 10.618 537 HH22 ARG 59 2HH2 ARG 59 20.724 -5.106 12.042 538 H GLU 60 H GLU 60 21.294 -6.720 2.517 539 HA GLU 60 HA GLU 60 19.108 -7.729 1.119 540 HB2 GLU 60 2HB GLU 60 21.919 -8.898 1.068 541 HB3 GLU 60 3HB GLU 60 20.657 -9.103 -0.143 542 HG2 GLU 60 2HG GLU 60 21.812 -7.455 -1.171 543 HG3 GLU 60 3HG GLU 60 20.714 -6.443 -0.245 544 H GLU 61 H GLU 61 18.011 -9.636 0.902 545 HA GLU 61 HA GLU 61 17.877 -11.272 3.314 546 HB2 GLU 61 2HB GLU 61 15.916 -10.258 2.167 547 HB3 GLU 61 3HB GLU 61 16.160 -11.361 0.808 548 HG2 GLU 61 2HG GLU 61 15.701 -13.290 2.224 549 HG3 GLU 61 3HG GLU 61 15.730 -12.289 3.680 550 H PHE 62 H PHE 62 17.936 -13.505 3.443 551 HA PHE 62 HA PHE 62 18.832 -15.523 3.295 552 HB2 PHE 62 2HB PHE 62 17.388 -15.616 1.262 553 HB3 PHE 62 3HB PHE 62 18.798 -15.242 0.284 554 HD1 PHE 62 2HD PHE 62 17.784 -17.667 3.007 555 HD2 PHE 62 1HD PHE 62 19.857 -17.075 -0.732 556 HE1 PHE 62 2HE PHE 62 18.323 -20.088 2.918 557 HE2 PHE 62 1HE PHE 62 20.379 -19.500 -0.822 558 HZ PHE 62 HZ PHE 62 19.619 -21.009 1.003 559 H ILE 63 H ILE 63 20.719 -16.904 2.619 560 HA ILE 63 HA ILE 63 23.037 -15.423 3.481 561 HB ILE 63 HB ILE 63 24.150 -17.593 3.589 562 HG12 ILE 63 2HG1 ILE 63 21.602 -18.783 2.405 563 HG13 ILE 63 3HG1 ILE 63 23.136 -18.628 1.549 564 HG21 ILE 63 1HG2 ILE 63 22.631 -16.753 5.398 565 HG22 ILE 63 2HG2 ILE 63 21.325 -17.754 4.727 566 HG23 ILE 63 3HG2 ILE 63 22.798 -18.508 5.367 567 HD11 ILE 63 3HD1 ILE 63 22.611 -20.360 3.992 568 HD12 ILE 63 1HD1 ILE 63 22.918 -20.888 2.331 569 HD13 ILE 63 2HD1 ILE 63 24.214 -20.104 3.257 570 H VAL 64 H VAL 64 21.974 -16.114 0.323 571 HA VAL 64 HA VAL 64 24.450 -15.037 -0.813 572 HB VAL 64 HB VAL 64 24.861 -17.461 -0.765 573 HG11 VAL 64 1HG1 VAL 64 22.511 -17.753 -2.678 574 HG12 VAL 64 2HG1 VAL 64 23.658 -19.018 -2.198 575 HG13 VAL 64 3HG1 VAL 64 22.563 -18.326 -0.996 576 HG21 VAL 64 3HG2 VAL 64 24.497 -16.479 -3.612 577 HG22 VAL 64 1HG2 VAL 64 25.847 -16.034 -2.537 578 HG23 VAL 64 2HG2 VAL 64 25.614 -17.719 -3.028 579 H THR 65 H THR 65 24.153 -13.968 -2.755 580 HA THR 65 HA THR 65 21.312 -13.362 -3.425 581 HB THR 65 HB THR 65 22.221 -11.121 -4.057 582 HG1 THR 65 1HG THR 65 24.304 -10.632 -3.354 583 HG21 THR 65 1HG2 THR 65 22.520 -10.306 -1.784 584 HG22 THR 65 2HG2 THR 65 22.858 -11.947 -1.191 585 HG23 THR 65 3HG2 THR 65 21.244 -11.534 -1.806 586 H ASP 66 H ASP 66 23.697 -15.092 -4.858 587 HA ASP 66 HA ASP 66 22.741 -14.502 -7.616 588 HB2 ASP 66 2HB ASP 66 24.831 -13.250 -7.305 589 HB3 ASP 66 3HB ASP 66 25.656 -14.711 -6.778 Start of MODEL 15 1 H1 GLY -1 1H GLY -1 -14.000 -13.956 -6.526 2 H2 GLY -1 2H GLY -1 -15.601 -13.634 -6.625 3 H3 GLY -1 3H GLY -1 -15.094 -15.066 -6.017 4 HA2 GLY -1 2HA GLY -1 -14.660 -12.418 -4.776 5 HA3 GLY -1 3HA GLY -1 -15.834 -13.626 -4.235 6 H SER 0 H SER 0 -12.458 -12.733 -4.360 7 HA SER 0 HA SER 0 -11.589 -15.115 -2.801 8 HB2 SER 0 2HB SER 0 -9.933 -12.933 -4.110 9 HB3 SER 0 3HB SER 0 -9.328 -14.437 -3.394 10 HG SER 0 HG SER 0 -10.417 -15.606 -5.001 11 H GLN 1 H GLN 1 -12.847 -12.208 -1.982 12 HA GLN 1 HA GLN 1 -10.958 -11.316 0.040 13 HB2 GLN 1 2HB GLN 1 -13.810 -10.421 -0.575 14 HB3 GLN 1 3HB GLN 1 -12.671 -9.615 0.490 15 HG2 GLN 1 2HG GLN 1 -12.505 -8.351 -1.422 16 HG3 GLN 1 3HG GLN 1 -11.095 -9.393 -1.527 17 HE21 GLN 1 1HE2 GLN 1 -11.494 -8.367 -3.857 18 HE22 GLN 1 2HE2 GLN 1 -12.448 -9.379 -4.931 19 H ARG 2 H ARG 2 -13.031 -13.889 0.151 20 HA ARG 2 HA ARG 2 -14.469 -13.588 2.572 21 HB2 ARG 2 2HB ARG 2 -14.965 -15.932 2.381 22 HB3 ARG 2 3HB ARG 2 -14.976 -15.214 0.774 23 HG2 ARG 2 2HG ARG 2 -12.581 -16.122 0.472 24 HG3 ARG 2 3HG ARG 2 -12.800 -16.959 2.013 25 HD2 ARG 2 2HD ARG 2 -13.285 -18.553 0.346 26 HD3 ARG 2 3HD ARG 2 -14.848 -18.074 1.030 27 HE ARG 2 HE ARG 2 -14.147 -16.485 -1.311 28 HH11 ARG 2 1HH1 ARG 2 -15.455 -19.639 -0.493 29 HH12 ARG 2 2HH1 ARG 2 -16.227 -19.805 -2.047 30 HH21 ARG 2 1HH2 ARG 2 -15.091 -16.760 -3.210 31 HH22 ARG 2 2HH2 ARG 2 -16.035 -18.196 -3.567 32 H ARG 3 H ARG 3 -14.264 -14.395 4.602 33 HA ARG 3 HA ARG 3 -13.348 -14.748 6.636 34 HB2 ARG 3 2HB ARG 3 -11.353 -16.495 5.146 35 HB3 ARG 3 3HB ARG 3 -11.639 -16.503 6.886 36 HG2 ARG 3 2HG ARG 3 -14.004 -17.172 6.507 37 HG3 ARG 3 3HG ARG 3 -13.703 -17.223 4.757 38 HD2 ARG 3 2HD ARG 3 -11.967 -18.945 5.093 39 HD3 ARG 3 3HD ARG 3 -12.259 -18.904 6.845 40 HE ARG 3 HE ARG 3 -14.744 -19.403 5.576 41 HH11 ARG 3 1HH1 ARG 3 -11.720 -21.115 6.018 42 HH12 ARG 3 2HH1 ARG 3 -12.484 -22.678 5.916 43 HH21 ARG 3 1HH2 ARG 3 -15.655 -21.426 5.454 44 HH22 ARG 3 2HH2 ARG 3 -14.655 -22.841 5.604 45 H GLN 4 H GLN 4 -11.576 -14.482 8.147 46 HA GLN 4 HA GLN 4 -10.221 -11.948 7.646 47 HB2 GLN 4 2HB GLN 4 -10.230 -13.800 10.062 48 HB3 GLN 4 3HB GLN 4 -9.464 -12.208 10.007 49 HG2 GLN 4 2HG GLN 4 -11.673 -11.166 9.486 50 HG3 GLN 4 3HG GLN 4 -12.445 -12.747 9.653 51 HE21 GLN 4 1HE2 GLN 4 -12.290 -13.829 11.851 52 HE22 GLN 4 2HE2 GLN 4 -12.153 -12.778 13.252 53 H ARG 5 H ARG 5 -7.965 -11.546 8.064 54 HA ARG 5 HA ARG 5 -6.064 -13.781 7.517 55 HB2 ARG 5 2HB ARG 5 -5.946 -11.070 6.111 56 HB3 ARG 5 3HB ARG 5 -4.806 -12.398 5.958 57 HG2 ARG 5 2HG ARG 5 -5.990 -12.829 4.078 58 HG3 ARG 5 3HG ARG 5 -6.985 -13.756 5.193 59 HD2 ARG 5 2HD ARG 5 -8.423 -11.611 5.426 60 HD3 ARG 5 3HD ARG 5 -7.503 -10.956 4.078 61 HE ARG 5 HE ARG 5 -9.568 -13.041 4.056 62 HH11 ARG 5 1HH1 ARG 5 -7.122 -11.501 2.057 63 HH12 ARG 5 2HH1 ARG 5 -7.715 -12.275 0.609 64 HH21 ARG 5 1HH2 ARG 5 -10.190 -14.025 2.226 65 HH22 ARG 5 2HH2 ARG 5 -9.477 -13.604 0.682 66 H THR 6 H THR 6 -3.897 -13.377 8.149 67 HA THR 6 HA THR 6 -3.520 -11.261 10.247 68 HB THR 6 HB THR 6 -2.203 -13.999 10.150 69 HG1 THR 6 1HG THR 6 -4.354 -14.138 10.774 70 HG21 THR 6 1HG2 THR 6 -2.122 -11.772 12.241 71 HG22 THR 6 2HG2 THR 6 -0.758 -12.328 11.241 72 HG23 THR 6 3HG2 THR 6 -1.461 -13.409 12.449 73 H HIS 7 H HIS 7 -2.027 -9.803 9.802 74 HA HIS 7 HA HIS 7 -0.580 -8.521 8.637 75 HB2 HIS 7 2HB HIS 7 1.047 -10.108 9.609 76 HB3 HIS 7 3HB HIS 7 0.970 -11.080 8.140 77 HD2 HIS 7 2HD HIS 7 3.045 -10.656 6.698 78 HE1 HIS 7 1HE HIS 7 3.337 -6.414 7.020 79 HE2 HIS 7 2HE HIS 7 4.322 -8.488 5.921 80 H PHE 8 H PHE 8 0.714 -8.406 6.352 81 HA PHE 8 HA PHE 8 -1.330 -8.166 4.374 82 HB2 PHE 8 2HB PHE 8 1.672 -8.203 3.965 83 HB3 PHE 8 3HB PHE 8 0.474 -7.519 2.879 84 HD1 PHE 8 1HD PHE 8 -0.942 -6.255 5.694 85 HD2 PHE 8 2HD PHE 8 2.804 -5.998 3.563 86 HE1 PHE 8 1HE PHE 8 -0.522 -4.042 6.684 87 HE2 PHE 8 2HE PHE 8 3.194 -3.756 4.540 88 HZ PHE 8 HZ PHE 8 1.543 -2.773 6.108 89 H THR 9 H THR 9 -1.971 -9.469 2.710 90 HA THR 9 HA THR 9 -1.135 -12.266 2.634 91 HB THR 9 HB THR 9 -2.717 -12.521 0.826 92 HG1 THR 9 1HG THR 9 -3.890 -10.655 0.140 93 HG21 THR 9 1HG2 THR 9 -4.770 -11.889 1.899 94 HG22 THR 9 2HG2 THR 9 -3.958 -10.646 2.877 95 HG23 THR 9 3HG2 THR 9 -3.617 -12.368 3.155 96 H SER 10 H SER 10 -0.531 -13.343 0.528 97 HA SER 10 HA SER 10 1.821 -12.301 -0.699 98 HB2 SER 10 2HB SER 10 1.385 -14.083 -2.402 99 HB3 SER 10 3HB SER 10 1.346 -14.660 -0.725 100 HG SER 10 HG SER 10 -0.428 -15.458 -1.959 101 H GLN 11 H GLN 11 -1.615 -11.983 -1.606 102 HA GLN 11 HA GLN 11 -1.134 -10.678 -4.143 103 HB2 GLN 11 2HB GLN 11 -3.575 -10.693 -2.322 104 HB3 GLN 11 3HB GLN 11 -3.527 -10.018 -3.958 105 HG2 GLN 11 2HG GLN 11 -2.910 -12.251 -4.865 106 HG3 GLN 11 3HG GLN 11 -3.014 -12.942 -3.245 107 HE21 GLN 11 1HE2 GLN 11 -4.561 -14.223 -4.981 108 HE22 GLN 11 2HE2 GLN 11 -6.244 -13.735 -4.824 109 H GLN 12 H GLN 12 -1.827 -9.382 -0.840 110 HA GLN 12 HA GLN 12 -1.738 -6.609 -1.618 111 HB2 GLN 12 2HB GLN 12 -1.317 -8.054 1.018 112 HB3 GLN 12 3HB GLN 12 -1.305 -6.292 0.882 113 HG2 GLN 12 2HG GLN 12 -3.575 -6.210 0.113 114 HG3 GLN 12 3HG GLN 12 -3.670 -7.956 -0.088 115 HE21 GLN 12 1HE2 GLN 12 -5.280 -6.009 1.649 116 HE22 GLN 12 2HE2 GLN 12 -5.154 -6.733 3.243 117 H LEU 13 H LEU 13 0.825 -8.840 -0.468 118 HA LEU 13 HA LEU 13 2.956 -6.897 -0.537 119 HB2 LEU 13 2HB LEU 13 2.878 -9.934 -0.672 120 HB3 LEU 13 3HB LEU 13 4.385 -9.025 -0.648 121 HG LEU 13 HG LEU 13 2.289 -8.783 1.555 122 HD11 LEU 13 1HD1 LEU 13 3.132 -11.094 1.432 123 HD12 LEU 13 2HD1 LEU 13 3.736 -10.266 2.873 124 HD13 LEU 13 3HD1 LEU 13 4.807 -10.497 1.469 125 HD21 LEU 13 3HD2 LEU 13 5.233 -7.994 1.413 126 HD22 LEU 13 1HD2 LEU 13 4.207 -7.897 2.860 127 HD23 LEU 13 2HD2 LEU 13 3.849 -6.878 1.460 128 H GLN 14 H GLN 14 1.718 -9.157 -3.062 129 HA GLN 14 HA GLN 14 3.674 -8.445 -5.029 130 HB2 GLN 14 2HB GLN 14 2.263 -10.462 -5.119 131 HB3 GLN 14 3HB GLN 14 0.825 -9.465 -5.386 132 HG2 GLN 14 2HG GLN 14 1.774 -8.661 -7.530 133 HG3 GLN 14 3HG GLN 14 3.251 -9.587 -7.235 134 HE21 GLN 14 1HE2 GLN 14 3.045 -12.017 -7.193 135 HE22 GLN 14 2HE2 GLN 14 1.725 -12.739 -8.102 136 H GLU 15 H GLU 15 0.418 -7.044 -4.334 137 HA GLU 15 HA GLU 15 0.533 -5.018 -6.371 138 HB2 GLU 15 2HB GLU 15 -0.937 -5.193 -3.714 139 HB3 GLU 15 3HB GLU 15 -1.118 -3.828 -4.810 140 HG2 GLU 15 2HG GLU 15 -1.701 -6.711 -5.614 141 HG3 GLU 15 3HG GLU 15 -2.905 -5.590 -4.990 142 H LEU 16 H LEU 16 1.709 -4.973 -2.966 143 HA LEU 16 HA LEU 16 2.644 -2.256 -3.077 144 HB2 LEU 16 2HB LEU 16 3.100 -4.650 -1.302 145 HB3 LEU 16 3HB LEU 16 4.158 -3.264 -1.133 146 HG LEU 16 HG LEU 16 1.155 -2.886 -1.100 147 HD11 LEU 16 1HD1 LEU 16 1.318 -2.928 1.378 148 HD12 LEU 16 2HD1 LEU 16 3.028 -3.389 1.275 149 HD13 LEU 16 3HD1 LEU 16 1.762 -4.502 0.706 150 HD21 LEU 16 3HD2 LEU 16 1.724 -0.875 0.137 151 HD22 LEU 16 1HD2 LEU 16 2.539 -0.874 -1.424 152 HD23 LEU 16 2HD2 LEU 16 3.451 -1.259 0.050 153 H GLU 17 H GLU 17 4.317 -5.342 -3.866 154 HA GLU 17 HA GLU 17 6.847 -4.101 -4.459 155 HB2 GLU 17 2HB GLU 17 6.349 -6.567 -3.993 156 HB3 GLU 17 3HB GLU 17 5.694 -6.667 -5.626 157 HG2 GLU 17 2HG GLU 17 7.905 -7.487 -5.749 158 HG3 GLU 17 3HG GLU 17 7.978 -5.886 -6.470 159 H ALA 18 H ALA 18 3.979 -4.778 -6.505 160 HA ALA 18 HA ALA 18 5.061 -3.715 -8.952 161 HB1 ALA 18 1HB ALA 18 2.711 -3.644 -9.649 162 HB2 ALA 18 2HB ALA 18 3.093 -5.183 -8.852 163 HB3 ALA 18 3HB ALA 18 2.185 -3.928 -7.978 164 H THR 19 H THR 19 3.395 -2.219 -6.184 165 HA THR 19 HA THR 19 3.241 0.451 -7.255 166 HB THR 19 HB THR 19 3.261 -0.507 -4.369 167 HG1 THR 19 1HG THR 19 1.561 -1.362 -5.518 168 HG21 THR 19 1HG2 THR 19 3.630 1.937 -4.465 169 HG22 THR 19 2HG2 THR 19 2.024 1.507 -3.844 170 HG23 THR 19 3HG2 THR 19 2.204 2.103 -5.517 171 H PHE 20 H PHE 20 5.749 -1.162 -5.206 172 HA PHE 20 HA PHE 20 7.403 1.134 -4.938 173 HB2 PHE 20 2HB PHE 20 7.465 -1.059 -3.628 174 HB3 PHE 20 3HB PHE 20 8.400 -1.733 -4.952 175 HD1 PHE 20 2HD PHE 20 10.662 -0.609 -5.544 176 HD2 PHE 20 1HD PHE 20 8.453 0.316 -1.966 177 HE1 PHE 20 2HE PHE 20 12.672 0.496 -4.585 178 HE2 PHE 20 1HE PHE 20 10.453 1.449 -1.023 179 HZ PHE 20 HZ PHE 20 12.561 1.550 -2.336 180 H GLN 21 H GLN 21 7.532 -1.479 -7.441 181 HA GLN 21 HA GLN 21 9.781 -0.211 -8.764 182 HB2 GLN 21 2HB GLN 21 9.620 -1.894 -10.419 183 HB3 GLN 21 3HB GLN 21 9.344 -2.620 -8.837 184 HG2 GLN 21 2HG GLN 21 6.822 -2.385 -9.370 185 HG3 GLN 21 3HG GLN 21 7.309 -2.054 -11.031 186 HE21 GLN 21 1HE2 GLN 21 7.475 -4.457 -8.384 187 HE22 GLN 21 2HE2 GLN 21 7.722 -5.847 -9.451 188 H ARG 22 H ARG 22 6.381 0.452 -8.902 189 HA ARG 22 HA ARG 22 6.556 2.071 -11.353 190 HB2 ARG 22 2HB ARG 22 4.477 0.908 -10.749 191 HB3 ARG 22 3HB ARG 22 4.390 1.795 -9.235 192 HG2 ARG 22 2HG ARG 22 2.811 2.680 -10.807 193 HG3 ARG 22 3HG ARG 22 4.011 3.912 -10.460 194 HD2 ARG 22 2HD ARG 22 4.143 2.117 -12.923 195 HD3 ARG 22 3HD ARG 22 3.217 3.626 -12.886 196 HE ARG 22 HE ARG 22 5.815 4.264 -11.995 197 HH11 ARG 22 1HH2 ARG 22 4.367 3.221 -15.014 198 HH12 ARG 22 2HH2 ARG 22 5.620 3.967 -15.968 199 HH21 ARG 22 1HH1 ARG 22 7.360 5.165 -13.244 200 HH22 ARG 22 2HH1 ARG 22 7.277 5.054 -14.980 201 H ASN 23 H ASN 23 6.506 2.699 -7.830 202 HA ASN 23 HA ASN 23 8.116 5.123 -8.299 203 HB2 ASN 23 2HB ASN 23 5.779 5.955 -8.270 204 HB3 ASN 23 3HB ASN 23 5.519 5.195 -6.697 205 HD21 ASN 23 1HD2 ASN 23 4.950 7.779 -6.701 206 HD22 ASN 23 2HD2 ASN 23 6.254 8.728 -5.998 207 H ARG 24 H ARG 24 9.855 4.821 -7.102 208 HA ARG 24 HA ARG 24 9.970 2.944 -4.868 209 HB2 ARG 24 2HB ARG 24 12.056 4.819 -6.051 210 HB3 ARG 24 3HB ARG 24 12.374 3.558 -4.852 211 HG2 ARG 24 2HG ARG 24 11.586 1.830 -6.456 212 HG3 ARG 24 3HG ARG 24 11.318 3.071 -7.683 213 HD2 ARG 24 2HD ARG 24 13.985 2.528 -6.336 214 HD3 ARG 24 3HD ARG 24 13.513 1.808 -7.869 215 HE ARG 24 HE ARG 24 14.384 4.565 -7.382 216 HH11 ARG 24 1HH1 ARG 24 12.734 2.533 -9.715 217 HH12 ARG 24 2HH1 ARG 24 13.036 3.642 -11.023 218 HH21 ARG 24 1HH2 ARG 24 14.726 5.930 -9.097 219 HH22 ARG 24 2HH2 ARG 24 14.133 5.508 -10.674 220 H TYR 25 H TYR 25 9.343 6.305 -5.043 221 HA TYR 25 HA TYR 25 9.698 6.635 -2.102 222 HB2 TYR 25 2HB TYR 25 10.743 8.524 -4.242 223 HB3 TYR 25 3HB TYR 25 10.693 8.871 -2.522 224 HD1 TYR 25 2HD TYR 25 12.199 7.744 -0.926 225 HD2 TYR 25 1HD TYR 25 12.463 7.031 -5.175 226 HE1 TYR 25 2HE TYR 25 14.496 6.828 -0.633 227 HE2 TYR 25 1HE TYR 25 14.754 6.109 -4.877 228 HH TYR 25 HH TYR 25 16.450 5.691 -3.423 229 HA PRO 26 HA PRO 26 5.583 8.341 -3.652 230 HB2 PRO 26 2HB PRO 26 3.899 6.821 -2.130 231 HB3 PRO 26 3HB PRO 26 4.514 6.296 -3.729 232 HG2 PRO 26 2HG PRO 26 5.567 5.550 -0.985 233 HG3 PRO 26 3HG PRO 26 5.215 4.481 -2.377 234 HD2 PRO 26 2HD PRO 26 7.735 5.393 -1.809 235 HD3 PRO 26 3HD PRO 26 7.174 5.134 -3.485 236 H ASP 27 H ASP 27 4.449 9.928 -2.511 237 HA ASP 27 HA ASP 27 5.590 10.820 0.013 238 HB2 ASP 27 2HB ASP 27 4.893 12.282 -1.931 239 HB3 ASP 27 3HB ASP 27 3.212 11.911 -1.534 240 H MET 28 H MET 28 4.148 11.404 1.890 241 HA MET 28 HA MET 28 2.969 8.961 2.790 242 HB2 MET 28 2HB MET 28 2.494 10.176 4.903 243 HB3 MET 28 3HB MET 28 4.158 10.202 4.348 244 HG2 MET 28 2HG MET 28 3.611 12.323 5.270 245 HG3 MET 28 3HG MET 28 3.904 12.513 3.556 246 HE1 MET 28 3HE MET 28 2.825 14.588 2.818 247 HE2 MET 28 1HE MET 28 2.118 13.305 1.814 248 HE3 MET 28 2HE MET 28 1.087 14.603 2.452 249 H SER 29 H SER 29 1.389 11.515 1.111 250 HA SER 29 HA SER 29 -1.329 10.639 1.858 251 HB2 SER 29 2HB SER 29 -0.348 12.469 -0.365 252 HB3 SER 29 3HB SER 29 -2.047 12.126 0.015 253 HG SER 29 HG SER 29 -1.355 14.046 1.023 254 H THR 30 H THR 30 0.969 10.120 -0.863 255 HA THR 30 HA THR 30 -0.783 8.523 -2.489 256 HB THR 30 HB THR 30 2.251 8.382 -2.301 257 HG1 THR 30 1HG THR 30 2.093 9.905 -4.059 258 HG21 THR 30 1HG2 THR 30 2.103 7.762 -4.699 259 HG22 THR 30 2HG2 THR 30 0.327 7.773 -4.590 260 HG23 THR 30 3HG2 THR 30 1.278 6.579 -3.680 261 H ARG 31 H ARG 31 1.560 7.710 0.092 262 HA ARG 31 HA ARG 31 1.094 4.873 0.125 263 HB2 ARG 31 2HB ARG 31 1.932 6.719 2.394 264 HB3 ARG 31 3HB ARG 31 2.005 4.951 2.429 265 HG2 ARG 31 2HG ARG 31 3.579 4.986 0.481 266 HG3 ARG 31 3HG ARG 31 3.543 6.748 0.512 267 HD2 ARG 31 2HD ARG 31 4.269 6.418 3.048 268 HD3 ARG 31 3HD ARG 31 4.815 4.833 2.454 269 HE ARG 31 HE ARG 31 5.693 7.080 0.809 270 HH11 ARG 31 1HH1 ARG 31 6.686 5.336 3.748 271 HH12 ARG 31 2HH1 ARG 31 8.277 6.029 3.631 272 HH21 ARG 31 1HH2 ARG 31 7.633 7.821 0.768 273 HH22 ARG 31 2HH2 ARG 31 8.839 7.372 1.961 274 H GLU 32 H GLU 32 -0.856 7.502 1.458 275 HA GLU 32 HA GLU 32 -2.569 5.740 3.038 276 HB2 GLU 32 2HB GLU 32 -2.117 8.276 3.345 277 HB3 GLU 32 3HB GLU 32 -3.292 8.522 2.059 278 HG2 GLU 32 2HG GLU 32 -4.975 7.229 3.404 279 HG3 GLU 32 3HG GLU 32 -3.787 7.097 4.703 280 H GLU 33 H GLU 33 -2.784 7.214 -0.242 281 HA GLU 33 HA GLU 33 -5.419 6.217 -0.823 282 HB2 GLU 33 2HB GLU 33 -3.111 6.963 -2.662 283 HB3 GLU 33 3HB GLU 33 -4.724 6.495 -3.218 284 HG2 GLU 33 2HG GLU 33 -5.726 8.348 -1.901 285 HG3 GLU 33 3HG GLU 33 -4.115 8.879 -1.424 286 H ILE 34 H ILE 34 -2.170 4.756 -1.500 287 HA ILE 34 HA ILE 34 -3.374 2.371 -2.588 288 HB ILE 34 HB ILE 34 -1.203 1.337 -2.532 289 HG12 ILE 34 2HG1 ILE 34 0.763 2.991 -1.857 290 HG13 ILE 34 3HG1 ILE 34 -0.445 3.657 -0.767 291 HG21 ILE 34 1HG2 ILE 34 -0.091 2.852 -4.057 292 HG22 ILE 34 2HG2 ILE 34 -1.834 2.945 -4.324 293 HG23 ILE 34 3HG2 ILE 34 -1.000 4.238 -3.434 294 HD11 ILE 34 3HD1 ILE 34 0.929 2.021 0.382 295 HD12 ILE 34 1HD1 ILE 34 -0.693 1.355 0.258 296 HD13 ILE 34 2HD1 ILE 34 0.568 0.793 -0.860 297 H ALA 35 H ALA 35 -2.718 3.290 0.791 298 HA ALA 35 HA ALA 35 -3.128 0.762 1.972 299 HB1 ALA 35 1HB ALA 35 -2.473 3.008 3.097 300 HB2 ALA 35 2HB ALA 35 -4.206 3.347 3.152 301 HB3 ALA 35 3HB ALA 35 -3.560 1.929 3.980 302 H VAL 36 H VAL 36 -5.639 3.247 1.100 303 HA VAL 36 HA VAL 36 -7.794 1.485 1.901 304 HB VAL 36 HB VAL 36 -9.333 3.068 0.879 305 HG11 VAL 36 1HG1 VAL 36 -8.495 3.402 3.185 306 HG12 VAL 36 2HG1 VAL 36 -7.190 4.435 2.552 307 HG13 VAL 36 3HG1 VAL 36 -8.884 4.931 2.374 308 HG21 VAL 36 3HG2 VAL 36 -7.932 3.890 -1.024 309 HG22 VAL 36 1HG2 VAL 36 -8.627 5.186 -0.046 310 HG23 VAL 36 2HG2 VAL 36 -6.920 4.760 0.149 311 H TRP 37 H TRP 37 -6.175 1.955 -1.228 312 HA TRP 37 HA TRP 37 -8.039 0.347 -2.729 313 HB2 TRP 37 2HB TRP 37 -5.123 0.958 -3.249 314 HB3 TRP 37 3HB TRP 37 -6.257 0.311 -4.427 315 HD1 TRP 37 1HD TRP 37 -8.351 2.696 -2.978 316 HE1 TRP 37 1HE TRP 37 -8.188 5.071 -3.929 317 HE3 TRP 37 3HE TRP 37 -3.930 2.216 -5.487 318 HZ2 TRP 37 2HZ TRP 37 -6.389 6.551 -5.652 319 HZ3 TRP 37 3HZ TRP 37 -2.994 4.136 -6.762 320 HH2 TRP 37 2HH TRP 37 -4.212 6.300 -6.851 321 H THR 38 H THR 38 -5.168 -0.544 -0.824 322 HA THR 38 HA THR 38 -5.475 -3.406 -1.587 323 HB THR 38 HB THR 38 -3.413 -3.776 -0.301 324 HG1 THR 38 1HG THR 38 -3.249 -0.959 -0.143 325 HG21 THR 38 1HG2 THR 38 -3.250 -3.296 -2.706 326 HG22 THR 38 2HG2 THR 38 -1.858 -2.660 -1.811 327 HG23 THR 38 3HG2 THR 38 -3.136 -1.556 -2.366 328 H ASN 39 H ASN 39 -6.823 -1.444 0.701 329 HA ASN 39 HA ASN 39 -7.825 -1.611 2.651 330 HB2 ASN 39 2HB ASN 39 -9.107 -3.376 1.399 331 HB3 ASN 39 3HB ASN 39 -8.087 -4.597 2.165 332 HD21 ASN 39 1HD2 ASN 39 -10.220 -5.404 2.968 333 HD22 ASN 39 2HD2 ASN 39 -10.887 -4.651 4.411 334 H LEU 40 H LEU 40 -5.318 -1.244 2.932 335 HA LEU 40 HA LEU 40 -4.337 -2.804 5.288 336 HB2 LEU 40 2HB LEU 40 -3.019 -1.404 2.983 337 HB3 LEU 40 3HB LEU 40 -2.265 -1.177 4.548 338 HG LEU 40 HG LEU 40 -2.025 -3.560 4.883 339 HD11 LEU 40 1HD1 LEU 40 -2.386 -5.173 3.071 340 HD12 LEU 40 2HD1 LEU 40 -3.208 -3.916 2.115 341 HD13 LEU 40 3HD1 LEU 40 -3.905 -4.485 3.648 342 HD21 LEU 40 3HD2 LEU 40 -0.365 -3.987 3.084 343 HD22 LEU 40 1HD2 LEU 40 -0.234 -2.352 3.739 344 HD23 LEU 40 2HD2 LEU 40 -1.027 -2.619 2.163 345 H THR 41 H THR 41 -3.264 -1.538 6.981 346 HA THR 41 HA THR 41 -4.676 0.954 7.666 347 HB THR 41 HB THR 41 -3.131 0.818 9.716 348 HG1 THR 41 1HG THR 41 -2.440 -1.327 10.132 349 HG21 THR 41 1HG2 THR 41 -5.139 -1.421 9.217 350 HG22 THR 41 2HG2 THR 41 -5.523 0.228 9.766 351 HG23 THR 41 3HG2 THR 41 -4.572 -0.845 10.804 352 H GLU 42 H GLU 42 -3.854 2.953 7.656 353 HA GLU 42 HA GLU 42 -1.947 3.508 5.667 354 HB2 GLU 42 2HB GLU 42 -2.260 5.852 6.255 355 HB3 GLU 42 3HB GLU 42 -3.784 4.975 6.149 356 HG2 GLU 42 2HG GLU 42 -3.839 4.819 8.660 357 HG3 GLU 42 3HG GLU 42 -2.361 5.776 8.725 358 H ALA 43 H ALA 43 -1.440 3.612 9.226 359 HA ALA 43 HA ALA 43 1.232 4.705 8.993 360 HB1 ALA 43 1HB ALA 43 -0.180 4.971 11.000 361 HB2 ALA 43 2HB ALA 43 -0.127 3.214 11.285 362 HB3 ALA 43 3HB ALA 43 1.358 4.182 11.398 363 H ARG 44 H ARG 44 -0.030 1.383 9.121 364 HA ARG 44 HA ARG 44 2.548 0.094 9.447 365 HB2 ARG 44 2HB ARG 44 0.216 -0.820 10.000 366 HB3 ARG 44 3HB ARG 44 0.025 -1.125 8.267 367 HG2 ARG 44 2HG ARG 44 2.049 -2.607 8.349 368 HG3 ARG 44 3HG ARG 44 2.197 -2.280 10.083 369 HD2 ARG 44 2HD ARG 44 -0.053 -3.254 10.471 370 HD3 ARG 44 3HD ARG 44 -0.246 -3.520 8.748 371 HE ARG 44 HE ARG 44 1.222 -5.349 8.811 372 HH11 ARG 44 1HH2 ARG 44 1.190 -3.877 12.000 373 HH12 ARG 44 2HH2 ARG 44 1.946 -5.263 12.735 374 HH21 ARG 44 1HH1 ARG 44 2.164 -7.058 9.806 375 HH22 ARG 44 2HH1 ARG 44 2.495 -7.014 11.522 376 H VAL 45 H VAL 45 0.530 0.842 6.569 377 HA VAL 45 HA VAL 45 2.524 -0.286 4.785 378 HB VAL 45 HB VAL 45 -0.016 -0.035 4.354 379 HG11 VAL 45 1HG1 VAL 45 0.895 2.629 3.198 380 HG12 VAL 45 2HG1 VAL 45 -0.647 1.818 2.939 381 HG13 VAL 45 3HG1 VAL 45 -0.228 2.399 4.562 382 HG21 VAL 45 3HG2 VAL 45 0.380 -0.163 1.982 383 HG22 VAL 45 1HG2 VAL 45 1.985 0.589 2.161 384 HG23 VAL 45 2HG2 VAL 45 1.670 -1.021 2.834 385 H ARG 46 H ARG 46 1.979 3.022 6.006 386 HA ARG 46 HA ARG 46 3.819 4.390 4.341 387 HB2 ARG 46 2HB ARG 46 2.848 4.762 7.176 388 HB3 ARG 46 3HB ARG 46 4.181 5.754 6.612 389 HG2 ARG 46 2HG ARG 46 2.893 6.681 4.804 390 HG3 ARG 46 3HG ARG 46 1.556 5.559 5.084 391 HD2 ARG 46 2HD ARG 46 1.216 6.556 7.330 392 HD3 ARG 46 3HD ARG 46 2.526 7.708 7.021 393 HE ARG 46 HE ARG 46 1.036 8.334 4.934 394 HH11 ARG 46 1HH1 ARG 46 -0.312 7.579 8.089 395 HH12 ARG 46 2HH1 ARG 46 -1.836 8.342 7.691 396 HH21 ARG 46 1HH2 ARG 46 -0.731 9.429 4.603 397 HH22 ARG 46 2HH2 ARG 46 -2.065 9.427 5.736 398 H VAL 47 H VAL 47 4.512 2.423 7.199 399 HA VAL 47 HA VAL 47 7.403 2.836 7.077 400 HB VAL 47 HB VAL 47 5.685 0.845 8.606 401 HG11 VAL 47 1HG1 VAL 47 7.694 0.517 10.056 402 HG12 VAL 47 2HG1 VAL 47 7.926 -0.130 8.435 403 HG13 VAL 47 3HG1 VAL 47 8.670 1.424 8.877 404 HG21 VAL 47 3HG2 VAL 47 5.394 3.230 9.276 405 HG22 VAL 47 1HG2 VAL 47 6.203 2.297 10.534 406 HG23 VAL 47 2HG2 VAL 47 7.149 3.378 9.488 407 H TRP 48 H TRP 48 5.209 0.484 5.516 408 HA TRP 48 HA TRP 48 7.145 -1.512 4.974 409 HB2 TRP 48 2HB TRP 48 4.705 -1.775 4.645 410 HB3 TRP 48 3HB TRP 48 4.785 -0.713 3.242 411 HD1 TRP 48 1HD TRP 48 5.582 -4.243 4.367 412 HE1 TRP 48 1HE TRP 48 6.253 -5.697 2.363 413 HE3 TRP 48 3HE TRP 48 5.909 -0.592 0.777 414 HZ2 TRP 48 2HZ TRP 48 6.949 -5.319 -0.412 415 HZ3 TRP 48 3HZ TRP 48 6.604 -1.168 -1.523 416 HH2 TRP 48 2HH TRP 48 7.148 -3.517 -2.132 417 H PHE 49 H PHE 49 6.411 1.456 3.073 418 HA PHE 49 HA PHE 49 8.277 0.878 0.963 419 HB2 PHE 49 2HB PHE 49 7.043 3.453 1.984 420 HB3 PHE 49 3HB PHE 49 8.195 3.431 0.651 421 HD1 PHE 49 1HD PHE 49 7.657 2.462 -1.514 422 HD2 PHE 49 2HD PHE 49 4.805 2.387 1.717 423 HE1 PHE 49 1HE PHE 49 5.913 1.615 -3.069 424 HE2 PHE 49 2HE PHE 49 3.074 1.543 0.166 425 HZ PHE 49 HZ PHE 49 3.626 1.126 -2.211 426 H LYS 50 H LYS 50 8.736 2.566 4.074 427 HA LYS 50 HA LYS 50 11.506 3.279 3.661 428 HB2 LYS 50 2HB LYS 50 10.016 4.288 5.368 429 HB3 LYS 50 3HB LYS 50 9.957 2.753 6.242 430 HG2 LYS 50 2HG LYS 50 12.373 2.863 6.665 431 HG3 LYS 50 3HG LYS 50 12.489 4.362 5.715 432 HD2 LYS 50 2HD LYS 50 10.924 5.465 7.313 433 HD3 LYS 50 3HD LYS 50 10.877 3.995 8.291 434 HE2 LYS 50 2HE LYS 50 13.394 5.615 7.665 435 HE3 LYS 50 3HE LYS 50 12.424 5.805 9.127 436 HZ1 LYS 50 3HZ LYS 50 13.850 3.316 8.353 437 HZ2 LYS 50 1HZ LYS 50 12.915 3.482 9.687 438 HZ3 LYS 50 2HZ LYS 50 14.291 4.342 9.539 439 H ASN 51 H ASN 51 9.954 0.398 5.076 440 HA ASN 51 HA ASN 51 12.363 -0.983 5.752 441 HB2 ASN 51 2HB ASN 51 10.014 -1.384 6.619 442 HB3 ASN 51 3HB ASN 51 9.622 -2.154 5.083 443 HD21 ASN 51 1HD2 ASN 51 11.664 -2.378 7.992 444 HD22 ASN 51 2HD2 ASN 51 11.956 -4.100 7.832 445 H ARG 52 H ARG 52 10.310 -1.230 2.802 446 HA ARG 52 HA ARG 52 11.915 -3.135 1.397 447 HB2 ARG 52 2HB ARG 52 9.509 -2.277 0.955 448 HB3 ARG 52 3HB ARG 52 10.251 -0.933 0.110 449 HG2 ARG 52 2HG ARG 52 10.393 -3.901 -0.583 450 HG3 ARG 52 3HG ARG 52 9.492 -2.639 -1.420 451 HD2 ARG 52 2HD ARG 52 11.740 -1.556 -1.961 452 HD3 ARG 52 3HD ARG 52 12.483 -3.074 -1.413 453 HE ARG 52 HE ARG 52 10.467 -3.772 -3.278 454 HH11 ARG 52 1HH1 ARG 52 13.515 -2.035 -3.451 455 HH12 ARG 52 2HH1 ARG 52 13.747 -2.480 -5.117 456 HH21 ARG 52 1HH2 ARG 52 10.755 -4.210 -5.265 457 HH22 ARG 52 2HH2 ARG 52 12.186 -3.704 -6.175 458 H ARG 53 H ARG 53 12.006 0.466 1.305 459 HA ARG 53 HA ARG 53 14.197 0.689 -0.506 460 HB2 ARG 53 2HB ARG 53 12.581 2.473 0.196 461 HB3 ARG 53 3HB ARG 53 13.429 2.629 1.729 462 HG2 ARG 53 2HG ARG 53 14.801 2.985 -0.974 463 HG3 ARG 53 3HG ARG 53 13.911 4.286 -0.190 464 HD2 ARG 53 2HD ARG 53 15.403 4.228 1.751 465 HD3 ARG 53 3HD ARG 53 16.320 2.889 1.035 466 HE ARG 53 HE ARG 53 16.199 5.066 -0.820 467 HH11 ARG 53 1HH2 ARG 53 17.916 4.234 2.145 468 HH12 ARG 53 2HH2 ARG 53 19.302 5.206 1.672 469 HH21 ARG 53 1HH1 ARG 53 17.970 6.235 -1.295 470 HH22 ARG 53 2HH1 ARG 53 19.398 6.132 -0.261 471 H ALA 54 H ALA 54 14.254 0.528 3.087 472 HA ALA 54 HA ALA 54 17.070 0.703 3.367 473 HB1 ALA 54 1HB ALA 54 15.016 -0.714 5.123 474 HB2 ALA 54 2HB ALA 54 16.662 -0.252 5.606 475 HB3 ALA 54 3HB ALA 54 15.473 1.002 5.211 476 H LYS 55 H LYS 55 15.026 -2.254 3.009 477 HA LYS 55 HA LYS 55 17.216 -4.138 3.036 478 HB2 LYS 55 2HB LYS 55 14.367 -4.218 1.967 479 HB3 LYS 55 3HB LYS 55 15.460 -5.603 1.843 480 HG2 LYS 55 2HG LYS 55 15.702 -5.781 4.225 481 HG3 LYS 55 3HG LYS 55 14.842 -4.258 4.506 482 HD2 LYS 55 2HD LYS 55 12.766 -5.187 3.653 483 HD3 LYS 55 3HD LYS 55 13.575 -6.706 3.198 484 HE2 LYS 55 2HE LYS 55 14.048 -7.248 5.506 485 HE3 LYS 55 3HE LYS 55 13.536 -5.643 6.050 486 HZ1 LYS 55 3HZ LYS 55 11.810 -7.349 6.396 487 HZ2 LYS 55 1HZ LYS 55 11.701 -7.606 4.785 488 HZ3 LYS 55 2HZ LYS 55 11.296 -6.140 5.419 489 H TRP 56 H TRP 56 15.717 -2.339 0.383 490 HA TRP 56 HA TRP 56 17.113 -3.664 -1.753 491 HB2 TRP 56 2HB TRP 56 15.016 -2.569 -2.093 492 HB3 TRP 56 3HB TRP 56 15.628 -1.041 -1.482 493 HD1 TRP 56 1HD TRP 56 16.714 -3.357 -4.409 494 HE1 TRP 56 1HE TRP 56 17.150 -1.897 -6.477 495 HE3 TRP 56 3HE TRP 56 15.617 1.231 -2.409 496 HZ2 TRP 56 2HZ TRP 56 17.108 0.910 -7.153 497 HZ3 TRP 56 3HZ TRP 56 15.830 3.285 -3.788 498 HH2 TRP 56 2HH TRP 56 16.611 3.141 -6.145 499 H ARG 57 H ARG 57 17.776 -0.532 -0.101 500 HA ARG 57 HA ARG 57 20.259 -0.175 -1.664 501 HB2 ARG 57 2HB ARG 57 18.716 1.510 0.328 502 HB3 ARG 57 3HB ARG 57 20.336 1.982 -0.185 503 HG2 ARG 57 2HG ARG 57 18.137 1.348 -2.172 504 HG3 ARG 57 3HG ARG 57 18.318 2.958 -1.488 505 HD2 ARG 57 2HD ARG 57 20.503 1.494 -3.030 506 HD3 ARG 57 3HD ARG 57 19.372 2.644 -3.746 507 HE ARG 57 HE ARG 57 20.295 4.253 -1.896 508 HH11 ARG 57 1HH1 ARG 57 22.391 2.028 -3.680 509 HH12 ARG 57 2HH1 ARG 57 23.784 3.060 -3.399 510 HH21 ARG 57 1HH2 ARG 57 22.060 5.403 -1.599 511 HH22 ARG 57 2HH2 ARG 57 23.585 4.927 -2.351 512 H LYS 58 H LYS 58 19.500 -1.234 1.566 513 HA LYS 58 HA LYS 58 20.760 -1.839 3.349 514 HB2 LYS 58 2HB LYS 58 20.672 -3.730 1.753 515 HB3 LYS 58 3HB LYS 58 22.292 -3.323 1.186 516 HG2 LYS 58 2HG LYS 58 23.166 -3.688 3.504 517 HG3 LYS 58 3HG LYS 58 21.520 -4.051 4.056 518 HD2 LYS 58 2HD LYS 58 21.422 -5.954 2.443 519 HD3 LYS 58 3HD LYS 58 23.096 -5.640 1.971 520 HE2 LYS 58 2HE LYS 58 22.158 -6.334 4.798 521 HE3 LYS 58 3HE LYS 58 22.775 -7.507 3.635 522 HZ1 LYS 58 3HZ LYS 58 24.528 -6.801 5.123 523 HZ2 LYS 58 1HZ LYS 58 24.335 -5.231 4.736 524 HZ3 LYS 58 2HZ LYS 58 24.892 -6.293 3.619 525 H ARG 59 H ARG 59 23.746 -1.993 1.534 526 HA ARG 59 HA ARG 59 25.049 -0.113 3.417 527 HB2 ARG 59 2HB ARG 59 25.984 -2.379 2.763 528 HB3 ARG 59 3HB ARG 59 26.339 -1.722 1.174 529 HG2 ARG 59 2HG ARG 59 27.402 -0.615 3.824 530 HG3 ARG 59 3HG ARG 59 28.249 -1.780 2.805 531 HD2 ARG 59 2HD ARG 59 28.253 -0.117 0.943 532 HD3 ARG 59 3HD ARG 59 27.561 1.084 2.057 533 HE ARG 59 HE ARG 59 29.786 0.187 3.401 534 HH11 ARG 59 1HH1 ARG 59 29.368 1.578 0.218 535 HH12 ARG 59 2HH1 ARG 59 30.941 2.334 0.237 536 HH21 ARG 59 1HH2 ARG 59 31.782 1.170 3.362 537 HH22 ARG 59 2HH2 ARG 59 32.262 2.111 1.981 538 H GLU 60 H GLU 60 23.837 1.698 2.761 539 HA GLU 60 HA GLU 60 24.174 2.953 0.165 540 HB2 GLU 60 2HB GLU 60 22.298 3.417 1.619 541 HB3 GLU 60 3HB GLU 60 23.352 4.069 2.874 542 HG2 GLU 60 2HG GLU 60 23.646 6.079 1.784 543 HG3 GLU 60 3HG GLU 60 23.590 5.350 0.185 544 H GLU 61 H GLU 61 25.609 4.595 -0.477 545 HA GLU 61 HA GLU 61 28.274 4.103 0.514 546 HB2 GLU 61 2HB GLU 61 27.483 6.134 -1.604 547 HB3 GLU 61 3HB GLU 61 29.023 5.331 -1.369 548 HG2 GLU 61 2HG GLU 61 28.148 4.249 -3.217 549 HG3 GLU 61 3HG GLU 61 27.858 3.117 -1.898 550 H PHE 62 H PHE 62 26.009 6.620 1.175 551 HA PHE 62 HA PHE 62 26.059 8.587 2.262 552 HB2 PHE 62 2HB PHE 62 26.683 6.787 3.958 553 HB3 PHE 62 3HB PHE 62 28.318 7.421 3.896 554 HD1 PHE 62 2HD PHE 62 24.743 8.442 4.485 555 HD2 PHE 62 1HD PHE 62 28.894 9.214 5.371 556 HE1 PHE 62 2HE PHE 62 24.069 10.111 6.199 557 HE2 PHE 62 1HE PHE 62 28.216 10.879 7.086 558 HZ PHE 62 HZ PHE 62 25.803 11.332 7.500 559 H ILE 63 H ILE 63 27.672 8.619 -0.130 560 HA ILE 63 HA ILE 63 29.988 10.312 0.339 561 HB ILE 63 HB ILE 63 30.073 10.526 -2.117 562 HG12 ILE 63 2HG1 ILE 63 27.646 8.669 -2.162 563 HG13 ILE 63 3HG1 ILE 63 27.627 10.382 -2.588 564 HG21 ILE 63 1HG2 ILE 63 31.190 8.698 -0.842 565 HG22 ILE 63 2HG2 ILE 63 29.794 7.650 -1.153 566 HG23 ILE 63 3HG2 ILE 63 30.794 8.238 -2.496 567 HD11 ILE 63 3HD1 ILE 63 27.701 9.091 -4.613 568 HD12 ILE 63 1HD1 ILE 63 29.260 9.919 -4.429 569 HD13 ILE 63 2HD1 ILE 63 29.115 8.180 -4.066 570 H VAL 64 H VAL 64 30.318 12.448 -0.385 571 HA VAL 64 HA VAL 64 28.080 14.244 0.182 572 HB VAL 64 HB VAL 64 29.712 16.060 -0.101 573 HG11 VAL 64 1HG1 VAL 64 31.025 15.569 1.892 574 HG12 VAL 64 2HG1 VAL 64 29.369 14.970 2.088 575 HG13 VAL 64 3HG1 VAL 64 30.688 13.833 1.733 576 HG21 VAL 64 3HG2 VAL 64 32.099 15.614 -0.337 577 HG22 VAL 64 1HG2 VAL 64 31.800 13.881 -0.550 578 HG23 VAL 64 2HG2 VAL 64 31.243 15.045 -1.774 579 H THR 65 H THR 65 27.271 15.877 -1.138 580 HA THR 65 HA THR 65 27.504 15.413 -4.089 581 HB THR 65 HB THR 65 25.413 14.606 -2.995 582 HG1 THR 65 1HG THR 65 25.385 15.072 -5.159 583 HG21 THR 65 1HG2 THR 65 25.054 16.405 -1.336 584 HG22 THR 65 2HG2 THR 65 23.660 16.192 -2.404 585 HG23 THR 65 3HG2 THR 65 24.760 17.562 -2.655 586 H ASP 66 H ASP 66 28.052 17.714 -1.699 587 HA ASP 66 HA ASP 66 28.349 19.949 -1.571 588 HB2 ASP 66 2HB ASP 66 30.334 19.183 -2.747 589 HB3 ASP 66 3HB ASP 66 29.565 19.476 -4.302 Start of MODEL 16 1 H1 GLY -1 1H GLY -1 4.958 -12.663 30.671 2 H2 GLY -1 2H GLY -1 6.082 -13.851 30.617 3 H3 GLY -1 3H GLY -1 4.970 -13.832 31.820 4 HA2 GLY -1 2HA GLY -1 4.390 -15.523 30.225 5 HA3 GLY -1 3HA GLY -1 3.181 -14.227 30.261 6 H SER 0 H SER 0 2.662 -15.122 28.097 7 HA SER 0 HA SER 0 4.441 -14.989 25.881 8 HB2 SER 0 2HB SER 0 1.403 -14.857 25.899 9 HB3 SER 0 3HB SER 0 2.429 -15.265 24.511 10 HG SER 0 HG SER 0 1.624 -17.137 25.589 11 H GLN 1 H GLN 1 4.580 -13.575 24.113 12 HA GLN 1 HA GLN 1 4.389 -10.749 24.708 13 HB2 GLN 1 2HB GLN 1 4.998 -12.217 22.106 14 HB3 GLN 1 3HB GLN 1 5.130 -10.470 22.347 15 HG2 GLN 1 2HG GLN 1 6.814 -10.849 24.146 16 HG3 GLN 1 3HG GLN 1 6.756 -12.582 23.817 17 HE21 GLN 1 1HE2 GLN 1 9.219 -11.760 23.592 18 HE22 GLN 1 2HE2 GLN 1 9.679 -11.438 21.926 19 H ARG 2 H ARG 2 3.196 -9.149 23.617 20 HA ARG 2 HA ARG 2 0.678 -9.994 22.217 21 HB2 ARG 2 2HB ARG 2 1.118 -7.348 23.625 22 HB3 ARG 2 3HB ARG 2 -0.381 -7.986 22.962 23 HG2 ARG 2 2HG ARG 2 1.083 -8.865 25.466 24 HG3 ARG 2 3HG ARG 2 -0.509 -8.139 25.331 25 HD2 ARG 2 2HD ARG 2 0.302 -10.970 24.600 26 HD3 ARG 2 3HD ARG 2 -0.749 -10.457 25.898 27 HE ARG 2 HE ARG 2 -2.402 -9.715 24.206 28 HH11 ARG 2 1HH1 ARG 2 -0.030 -12.070 23.041 29 HH12 ARG 2 2HH1 ARG 2 -1.174 -12.742 21.913 30 HH21 ARG 2 1HH2 ARG 2 -3.732 -10.596 22.686 31 HH22 ARG 2 2HH2 ARG 2 -3.178 -11.906 21.687 32 H ARG 3 H ARG 3 3.328 -9.740 21.101 33 HA ARG 3 HA ARG 3 3.625 -7.305 19.573 34 HB2 ARG 3 2HB ARG 3 5.415 -8.943 20.489 35 HB3 ARG 3 3HB ARG 3 4.982 -9.990 19.145 36 HG2 ARG 3 2HG ARG 3 5.557 -7.810 17.685 37 HG3 ARG 3 3HG ARG 3 6.364 -7.290 19.163 38 HD2 ARG 3 2HD ARG 3 7.988 -8.379 17.780 39 HD3 ARG 3 3HD ARG 3 7.653 -9.472 19.122 40 HE ARG 3 HE ARG 3 6.387 -9.712 16.390 41 HH11 ARG 3 1HH1 ARG 3 7.536 -11.450 19.238 42 HH12 ARG 3 2HH1 ARG 3 7.499 -12.971 18.389 43 HH21 ARG 3 1HH2 ARG 3 6.344 -11.652 15.437 44 HH22 ARG 3 2HH2 ARG 3 6.800 -13.092 16.307 45 H GLN 4 H GLN 4 3.577 -7.046 17.312 46 HA GLN 4 HA GLN 4 1.544 -8.387 15.778 47 HB2 GLN 4 2HB GLN 4 2.182 -6.057 15.425 48 HB3 GLN 4 3HB GLN 4 3.818 -6.536 14.961 49 HG2 GLN 4 2HG GLN 4 2.993 -7.613 12.935 50 HG3 GLN 4 3HG GLN 4 1.312 -7.395 13.450 51 HE21 GLN 4 1HE2 GLN 4 4.282 -5.396 12.763 52 HE22 GLN 4 2HE2 GLN 4 3.354 -4.095 12.036 53 H ARG 5 H ARG 5 1.699 -9.813 14.109 54 HA ARG 5 HA ARG 5 4.259 -11.268 13.554 55 HB2 ARG 5 2HB ARG 5 1.452 -12.452 13.767 56 HB3 ARG 5 3HB ARG 5 2.898 -13.322 13.243 57 HG2 ARG 5 2HG ARG 5 3.939 -12.930 15.475 58 HG3 ARG 5 3HG ARG 5 2.450 -12.127 16.015 59 HD2 ARG 5 2HD ARG 5 1.170 -14.201 15.550 60 HD3 ARG 5 3HD ARG 5 2.671 -15.004 15.044 61 HE ARG 5 HE ARG 5 3.007 -13.923 17.675 62 HH11 ARG 5 1HH1 ARG 5 1.308 -16.568 16.130 63 HH12 ARG 5 2HH1 ARG 5 1.319 -17.542 17.575 64 HH21 ARG 5 1HH2 ARG 5 2.991 -15.221 19.484 65 HH22 ARG 5 2HH2 ARG 5 2.248 -16.792 19.419 66 H THR 6 H THR 6 4.175 -12.400 11.392 67 HA THR 6 HA THR 6 3.551 -10.503 9.320 68 HB THR 6 HB THR 6 4.132 -12.450 7.779 69 HG1 THR 6 1HG THR 6 3.668 -14.128 9.261 70 HG21 THR 6 1HG2 THR 6 5.790 -10.759 8.470 71 HG22 THR 6 2HG2 THR 6 6.522 -12.367 8.336 72 HG23 THR 6 3HG2 THR 6 6.150 -11.694 9.939 73 H HIS 7 H HIS 7 1.690 -10.068 8.428 74 HA HIS 7 HA HIS 7 -0.485 -12.111 8.212 75 HB2 HIS 7 2HB HIS 7 -2.007 -10.302 9.046 76 HB3 HIS 7 3HB HIS 7 -0.841 -10.888 10.223 77 HD2 HIS 7 2HD HIS 7 -1.083 -8.631 11.645 78 HE1 HIS 7 1HE HIS 7 1.092 -6.136 8.954 79 HE2 HIS 7 2HE HIS 7 0.151 -6.328 11.317 80 H PHE 8 H PHE 8 1.261 -9.760 6.442 81 HA PHE 8 HA PHE 8 -0.778 -8.767 4.715 82 HB2 PHE 8 2HB PHE 8 2.147 -9.288 4.071 83 HB3 PHE 8 3HB PHE 8 1.048 -8.254 3.172 84 HD1 PHE 8 1HD PHE 8 0.165 -6.130 4.219 85 HD2 PHE 8 2HD PHE 8 3.363 -8.433 5.967 86 HE1 PHE 8 1HE PHE 8 0.886 -4.144 5.526 87 HE2 PHE 8 2HE PHE 8 4.071 -6.449 7.284 88 HZ PHE 8 HZ PHE 8 2.841 -4.298 7.056 89 H THR 9 H THR 9 -1.705 -9.542 2.827 90 HA THR 9 HA THR 9 -1.402 -12.399 2.213 91 HB THR 9 HB THR 9 -3.140 -12.162 0.627 92 HG1 THR 9 1HG THR 9 -4.036 -10.090 0.207 93 HG21 THR 9 1HG2 THR 9 -4.982 -11.296 1.924 94 HG22 THR 9 2HG2 THR 9 -3.892 -10.329 2.938 95 HG23 THR 9 3HG2 THR 9 -3.850 -12.104 3.022 96 H SER 10 H SER 10 -0.996 -13.215 0.010 97 HA SER 10 HA SER 10 1.379 -12.195 -1.222 98 HB2 SER 10 2HB SER 10 0.804 -13.802 -3.034 99 HB3 SER 10 3HB SER 10 0.753 -14.523 -1.416 100 HG SER 10 HG SER 10 -1.088 -15.097 -2.672 101 H GLN 11 H GLN 11 -2.045 -11.463 -1.783 102 HA GLN 11 HA GLN 11 -1.615 -10.020 -4.276 103 HB2 GLN 11 2HB GLN 11 -3.928 -9.986 -2.294 104 HB3 GLN 11 3HB GLN 11 -3.920 -9.179 -3.867 105 HG2 GLN 11 2HG GLN 11 -3.585 -11.372 -4.996 106 HG3 GLN 11 3HG GLN 11 -3.630 -12.189 -3.429 107 HE21 GLN 11 1HE2 GLN 11 -5.621 -10.235 -5.713 108 HE22 GLN 11 2HE2 GLN 11 -7.150 -10.820 -5.072 109 H GLN 12 H GLN 12 -1.952 -9.005 -0.829 110 HA GLN 12 HA GLN 12 -1.676 -6.186 -1.282 111 HB2 GLN 12 2HB GLN 12 -1.084 -7.992 1.091 112 HB3 GLN 12 3HB GLN 12 -0.908 -6.238 1.165 113 HG2 GLN 12 2HG GLN 12 -3.238 -5.872 0.709 114 HG3 GLN 12 3HG GLN 12 -3.531 -7.563 0.358 115 HE21 GLN 12 1HE2 GLN 12 -4.902 -5.908 2.361 116 HE22 GLN 12 2HE2 GLN 12 -4.613 -6.743 3.889 117 H LEU 13 H LEU 13 0.796 -8.693 -0.536 118 HA LEU 13 HA LEU 13 3.026 -6.888 -0.538 119 HB2 LEU 13 2HB LEU 13 2.805 -9.887 -1.014 120 HB3 LEU 13 3HB LEU 13 4.345 -9.041 -0.888 121 HG LEU 13 HG LEU 13 2.251 -9.067 1.329 122 HD11 LEU 13 1HD1 LEU 13 3.734 -10.669 2.453 123 HD12 LEU 13 2HD1 LEU 13 4.807 -10.694 1.034 124 HD13 LEU 13 3HD1 LEU 13 3.146 -11.320 0.917 125 HD21 LEU 13 3HD2 LEU 13 3.730 -7.127 1.515 126 HD22 LEU 13 1HD2 LEU 13 5.161 -8.167 1.291 127 HD23 LEU 13 2HD2 LEU 13 4.155 -8.314 2.748 128 H GLN 14 H GLN 14 1.594 -8.803 -3.235 129 HA GLN 14 HA GLN 14 3.595 -7.895 -5.130 130 HB2 GLN 14 2HB GLN 14 0.895 -9.236 -5.440 131 HB3 GLN 14 3HB GLN 14 1.888 -8.751 -6.825 132 HG2 GLN 14 2HG GLN 14 3.768 -10.092 -6.060 133 HG3 GLN 14 3HG GLN 14 2.915 -10.536 -4.582 134 HE21 GLN 14 1HE2 GLN 14 0.829 -11.755 -4.874 135 HE22 GLN 14 2HE2 GLN 14 0.727 -12.894 -6.229 136 H GLU 15 H GLU 15 0.391 -6.575 -4.185 137 HA GLU 15 HA GLU 15 0.381 -4.515 -6.192 138 HB2 GLU 15 2HB GLU 15 -1.556 -5.284 -4.706 139 HB3 GLU 15 3HB GLU 15 -0.813 -4.360 -3.400 140 HG2 GLU 15 2HG GLU 15 -2.517 -2.995 -4.354 141 HG3 GLU 15 3HG GLU 15 -0.993 -2.295 -4.874 142 H LEU 16 H LEU 16 1.944 -4.726 -2.989 143 HA LEU 16 HA LEU 16 2.880 -1.953 -3.034 144 HB2 LEU 16 2HB LEU 16 3.346 -4.365 -1.282 145 HB3 LEU 16 3HB LEU 16 4.367 -2.944 -1.117 146 HG LEU 16 HG LEU 16 1.360 -2.602 -1.072 147 HD11 LEU 16 1HD1 LEU 16 1.434 -2.788 1.392 148 HD12 LEU 16 2HD1 LEU 16 3.141 -3.277 1.314 149 HD13 LEU 16 3HD1 LEU 16 1.879 -4.322 0.634 150 HD21 LEU 16 3HD2 LEU 16 2.736 -0.569 -1.226 151 HD22 LEU 16 1HD2 LEU 16 3.664 -1.069 0.202 152 HD23 LEU 16 2HD2 LEU 16 1.945 -0.676 0.356 153 H GLU 17 H GLU 17 4.364 -5.104 -3.851 154 HA GLU 17 HA GLU 17 6.925 -4.140 -4.661 155 HB2 GLU 17 2HB GLU 17 6.285 -6.522 -4.300 156 HB3 GLU 17 3HB GLU 17 5.247 -6.454 -5.720 157 HG2 GLU 17 2HG GLU 17 7.296 -7.594 -6.269 158 HG3 GLU 17 3HG GLU 17 7.202 -6.088 -7.170 159 H ALA 18 H ALA 18 3.854 -4.426 -6.528 160 HA ALA 18 HA ALA 18 4.897 -3.326 -8.969 161 HB1 ALA 18 1HB ALA 18 2.864 -4.698 -8.860 162 HB2 ALA 18 2HB ALA 18 2.051 -3.448 -7.893 163 HB3 ALA 18 3HB ALA 18 2.521 -3.110 -9.571 164 H THR 19 H THR 19 3.224 -1.811 -6.171 165 HA THR 19 HA THR 19 3.070 0.849 -7.133 166 HB THR 19 HB THR 19 3.419 -0.206 -4.302 167 HG1 THR 19 1HG THR 19 1.535 -0.862 -5.249 168 HG21 THR 19 1HG2 THR 19 3.990 2.197 -4.307 169 HG22 THR 19 2HG2 THR 19 2.452 1.866 -3.508 170 HG23 THR 19 3HG2 THR 19 2.464 2.553 -5.153 171 H PHE 20 H PHE 20 5.739 -0.672 -5.235 172 HA PHE 20 HA PHE 20 7.389 1.616 -5.071 173 HB2 PHE 20 2HB PHE 20 7.622 -0.424 -3.716 174 HB3 PHE 20 3HB PHE 20 8.115 -1.340 -5.132 175 HD1 PHE 20 2HD PHE 20 10.352 -0.976 -6.169 176 HD2 PHE 20 1HD PHE 20 9.161 1.125 -2.597 177 HE1 PHE 20 2HE PHE 20 12.729 -0.408 -5.707 178 HE2 PHE 20 1HE PHE 20 11.533 1.709 -2.151 179 HZ PHE 20 HZ PHE 20 13.321 0.929 -3.694 180 H GLN 21 H GLN 21 7.313 -0.893 -7.660 181 HA GLN 21 HA GLN 21 9.538 0.410 -9.060 182 HB2 GLN 21 2HB GLN 21 9.483 -1.390 -10.587 183 HB3 GLN 21 3HB GLN 21 9.302 -2.031 -8.957 184 HG2 GLN 21 2HG GLN 21 6.782 -2.112 -9.407 185 HG3 GLN 21 3HG GLN 21 7.142 -1.743 -11.093 186 HE21 GLN 21 1HE2 GLN 21 7.630 -4.115 -8.466 187 HE22 GLN 21 2HE2 GLN 21 8.020 -5.460 -9.542 188 H ARG 22 H ARG 22 6.011 0.502 -9.358 189 HA ARG 22 HA ARG 22 6.001 1.911 -11.906 190 HB2 ARG 22 2HB ARG 22 4.101 0.564 -11.082 191 HB3 ARG 22 3HB ARG 22 3.904 1.650 -9.711 192 HG2 ARG 22 2HG ARG 22 2.204 2.047 -11.362 193 HG3 ARG 22 3HG ARG 22 3.209 3.480 -11.219 194 HD2 ARG 22 2HD ARG 22 3.615 1.392 -13.405 195 HD3 ARG 22 3HD ARG 22 2.460 2.727 -13.562 196 HE ARG 22 HE ARG 22 4.928 3.877 -12.820 197 HH11 ARG 22 1HH2 ARG 22 3.642 2.240 -15.642 198 HH12 ARG 22 2HH2 ARG 22 4.749 3.048 -16.719 199 HH21 ARG 22 1HH1 ARG 22 6.298 4.846 -14.217 200 HH22 ARG 22 2HH1 ARG 22 6.220 4.500 -15.922 201 H ASN 23 H ASN 23 6.047 2.936 -8.505 202 HA ASN 23 HA ASN 23 6.938 5.636 -9.371 203 HB2 ASN 23 2HB ASN 23 4.472 5.727 -8.972 204 HB3 ASN 23 3HB ASN 23 4.721 5.108 -7.338 205 HD21 ASN 23 1HD2 ASN 23 3.454 7.247 -7.030 206 HD22 ASN 23 2HD2 ASN 23 4.448 8.681 -6.808 207 H ARG 24 H ARG 24 8.991 5.582 -8.601 208 HA ARG 24 HA ARG 24 9.855 4.052 -6.322 209 HB2 ARG 24 2HB ARG 24 11.202 6.362 -7.785 210 HB3 ARG 24 3HB ARG 24 11.965 5.365 -6.543 211 HG2 ARG 24 2HG ARG 24 11.666 3.337 -7.940 212 HG3 ARG 24 3HG ARG 24 10.891 4.317 -9.194 213 HD2 ARG 24 2HD ARG 24 13.191 3.989 -9.826 214 HD3 ARG 24 3HD ARG 24 12.950 5.690 -9.388 215 HE ARG 24 HE ARG 24 13.915 3.995 -7.193 216 HH11 ARG 24 1HH2 ARG 24 15.028 5.929 -9.896 217 HH12 ARG 24 2HH2 ARG 24 16.584 6.218 -9.168 218 HH21 ARG 24 1HH1 ARG 24 15.909 4.433 -6.307 219 HH22 ARG 24 2HH1 ARG 24 17.063 5.384 -7.195 220 H TYR 25 H TYR 25 10.170 4.529 -4.259 221 HA TYR 25 HA TYR 25 9.513 5.397 -2.248 222 HB2 TYR 25 2HB TYR 25 10.826 7.439 -1.669 223 HB3 TYR 25 3HB TYR 25 11.702 6.067 -2.294 224 HD1 TYR 25 2HD TYR 25 12.850 6.117 -4.460 225 HD2 TYR 25 1HD TYR 25 10.754 9.573 -2.948 226 HE1 TYR 25 2HE TYR 25 13.997 7.546 -6.141 227 HE2 TYR 25 1HE TYR 25 11.906 11.001 -4.631 228 HH TYR 25 HH TYR 25 14.255 9.663 -6.986 229 HA PRO 26 HA PRO 26 5.832 7.713 -3.943 230 HB2 PRO 26 2HB PRO 26 4.561 6.015 -1.800 231 HB3 PRO 26 3HB PRO 26 3.925 6.463 -3.414 232 HG2 PRO 26 2HG PRO 26 4.993 4.020 -3.017 233 HG3 PRO 26 3HG PRO 26 5.401 4.942 -4.499 234 HD2 PRO 26 2HD PRO 26 7.017 4.655 -1.947 235 HD3 PRO 26 3HD PRO 26 7.558 4.518 -3.643 236 H ASP 27 H ASP 27 4.777 9.513 -3.145 237 HA ASP 27 HA ASP 27 5.523 10.648 -0.586 238 HB2 ASP 27 2HB ASP 27 4.984 11.908 -2.726 239 HB3 ASP 27 3HB ASP 27 3.287 11.496 -2.465 240 H MET 28 H MET 28 3.954 11.186 1.115 241 HA MET 28 HA MET 28 2.758 8.720 1.999 242 HB2 MET 28 2HB MET 28 2.908 11.503 3.172 243 HB3 MET 28 3HB MET 28 2.119 10.167 4.018 244 HG2 MET 28 2HG MET 28 4.057 9.039 4.431 245 HG3 MET 28 3HG MET 28 4.827 9.524 2.933 246 HE1 MET 28 3HE MET 28 6.542 12.838 3.586 247 HE2 MET 28 1HE MET 28 6.274 11.460 2.492 248 HE3 MET 28 2HE MET 28 4.962 12.614 2.809 249 H SER 29 H SER 29 1.327 11.434 0.333 250 HA SER 29 HA SER 29 -1.450 10.798 0.918 251 HB2 SER 29 2HB SER 29 -1.851 12.142 -1.169 252 HB3 SER 29 3HB SER 29 -0.932 12.980 0.094 253 HG SER 29 HG SER 29 0.018 13.244 -1.987 254 H THR 30 H THR 30 0.847 9.873 -1.698 255 HA THR 30 HA THR 30 -0.930 8.087 -3.077 256 HB THR 30 HB THR 30 2.105 7.937 -2.922 257 HG1 THR 30 1HG THR 30 2.006 9.223 -4.791 258 HG21 THR 30 1HG2 THR 30 1.897 6.958 -5.195 259 HG22 THR 30 2HG2 THR 30 0.125 6.981 -5.037 260 HG23 THR 30 3HG2 THR 30 1.112 5.946 -3.982 261 H ARG 31 H ARG 31 1.494 7.504 -0.472 262 HA ARG 31 HA ARG 31 1.023 4.712 -0.125 263 HB2 ARG 31 2HB ARG 31 1.655 6.764 2.036 264 HB3 ARG 31 3HB ARG 31 1.778 5.020 2.214 265 HG2 ARG 31 2HG ARG 31 3.514 4.946 0.421 266 HG3 ARG 31 3HG ARG 31 3.402 6.701 0.276 267 HD2 ARG 31 2HD ARG 31 3.917 6.720 2.846 268 HD3 ARG 31 3HD ARG 31 4.490 5.063 2.568 269 HE ARG 31 HE ARG 31 5.565 6.964 0.637 270 HH11 ARG 31 1HH1 ARG 31 6.175 5.910 3.920 271 HH12 ARG 31 2HH1 ARG 31 7.788 6.572 3.901 272 HH21 ARG 31 1HH2 ARG 31 7.491 7.760 0.671 273 HH22 ARG 31 2HH2 ARG 31 8.556 7.586 2.053 274 H GLU 32 H GLU 32 -0.816 7.449 1.297 275 HA GLU 32 HA GLU 32 -2.606 5.761 2.778 276 HB2 GLU 32 2HB GLU 32 -2.160 8.159 3.255 277 HB3 GLU 32 3HB GLU 32 -3.010 8.609 1.771 278 HG2 GLU 32 2HG GLU 32 -5.098 7.598 2.678 279 HG3 GLU 32 3HG GLU 32 -4.232 7.135 4.144 280 H GLU 33 H GLU 33 -2.853 7.079 -0.575 281 HA GLU 33 HA GLU 33 -5.500 6.009 -1.037 282 HB2 GLU 33 2HB GLU 33 -3.262 6.740 -2.960 283 HB3 GLU 33 3HB GLU 33 -4.845 6.134 -3.464 284 HG2 GLU 33 2HG GLU 33 -5.956 8.002 -2.260 285 HG3 GLU 33 3HG GLU 33 -4.380 8.672 -1.849 286 H ILE 34 H ILE 34 -2.224 4.570 -1.743 287 HA ILE 34 HA ILE 34 -3.464 2.135 -2.672 288 HB ILE 34 HB ILE 34 -1.336 1.104 -2.725 289 HG12 ILE 34 2HG1 ILE 34 0.739 2.531 -2.181 290 HG13 ILE 34 3HG1 ILE 34 -0.316 3.437 -1.114 291 HG21 ILE 34 1HG2 ILE 34 -1.991 2.732 -4.491 292 HG22 ILE 34 2HG2 ILE 34 -1.049 3.983 -3.653 293 HG23 ILE 34 3HG2 ILE 34 -0.243 2.549 -4.312 294 HD11 ILE 34 3HD1 ILE 34 1.097 1.560 -0.108 295 HD12 ILE 34 1HD1 ILE 34 -0.609 1.520 0.325 296 HD13 ILE 34 2HD1 ILE 34 0.022 0.413 -0.922 297 H ALA 35 H ALA 35 -2.717 3.238 0.586 298 HA ALA 35 HA ALA 35 -2.973 0.726 1.912 299 HB1 ALA 35 1HB ALA 35 -3.751 3.478 2.954 300 HB2 ALA 35 2HB ALA 35 -3.388 2.035 3.908 301 HB3 ALA 35 3HB ALA 35 -2.108 2.804 2.970 302 H VAL 36 H VAL 36 -5.561 3.159 1.096 303 HA VAL 36 HA VAL 36 -7.642 1.411 2.092 304 HB VAL 36 HB VAL 36 -9.257 2.865 1.006 305 HG11 VAL 36 1HG1 VAL 36 -8.821 4.849 2.345 306 HG12 VAL 36 2HG1 VAL 36 -8.366 3.395 3.253 307 HG13 VAL 36 3HG1 VAL 36 -7.110 4.413 2.507 308 HG21 VAL 36 3HG2 VAL 36 -6.928 4.573 0.077 309 HG22 VAL 36 1HG2 VAL 36 -7.941 3.584 -0.996 310 HG23 VAL 36 2HG2 VAL 36 -8.655 4.927 -0.095 311 H TRP 37 H TRP 37 -6.133 1.680 -1.117 312 HA TRP 37 HA TRP 37 -8.000 -0.090 -2.429 313 HB2 TRP 37 2HB TRP 37 -5.121 0.542 -3.103 314 HB3 TRP 37 3HB TRP 37 -6.285 -0.210 -4.185 315 HD1 TRP 37 1HD TRP 37 -8.360 2.262 -2.841 316 HE1 TRP 37 1HE TRP 37 -8.261 4.558 -3.971 317 HE3 TRP 37 3HE TRP 37 -4.049 1.620 -5.500 318 HZ2 TRP 37 2HZ TRP 37 -6.548 5.919 -5.869 319 HZ3 TRP 37 3HZ TRP 37 -3.191 3.442 -6.959 320 HH2 TRP 37 2HH TRP 37 -4.426 5.589 -7.148 321 H THR 38 H THR 38 -4.985 -0.724 -0.640 322 HA THR 38 HA THR 38 -5.153 -3.643 -1.091 323 HB THR 38 HB THR 38 -3.176 -3.728 0.437 324 HG1 THR 38 1HG THR 38 -3.147 -0.930 0.165 325 HG21 THR 38 1HG2 THR 38 -1.568 -2.721 -1.107 326 HG22 THR 38 2HG2 THR 38 -2.881 -1.855 -1.939 327 HG23 THR 38 3HG2 THR 38 -2.822 -3.630 -1.969 328 H ASN 39 H ASN 39 -6.736 -1.561 0.945 329 HA ASN 39 HA ASN 39 -7.800 -1.608 2.873 330 HB2 ASN 39 2HB ASN 39 -8.896 -3.578 1.681 331 HB3 ASN 39 3HB ASN 39 -7.893 -4.640 2.676 332 HD21 ASN 39 1HD2 ASN 39 -10.194 -1.861 3.009 333 HD22 ASN 39 2HD2 ASN 39 -10.942 -2.504 4.463 334 H LEU 40 H LEU 40 -5.080 -1.387 3.031 335 HA LEU 40 HA LEU 40 -4.323 -2.600 5.655 336 HB2 LEU 40 2HB LEU 40 -2.674 -1.237 3.490 337 HB3 LEU 40 3HB LEU 40 -2.035 -1.736 5.050 338 HG LEU 40 HG LEU 40 -3.182 -3.638 2.960 339 HD11 LEU 40 1HD1 LEU 40 -0.829 -4.325 2.674 340 HD12 LEU 40 2HD1 LEU 40 -0.313 -3.057 3.811 341 HD13 LEU 40 3HD1 LEU 40 -1.057 -2.621 2.262 342 HD21 LEU 40 3HD2 LEU 40 -1.811 -4.126 5.641 343 HD22 LEU 40 1HD2 LEU 40 -2.113 -5.377 4.417 344 HD23 LEU 40 2HD2 LEU 40 -3.477 -4.571 5.186 345 H THR 41 H THR 41 -3.141 -1.163 7.113 346 HA THR 41 HA THR 41 -4.470 1.431 7.520 347 HB THR 41 HB THR 41 -2.126 0.591 9.185 348 HG1 THR 41 1HG THR 41 -4.631 -0.708 9.354 349 HG21 THR 41 1HG2 THR 41 -3.419 2.597 9.778 350 HG22 THR 41 2HG2 THR 41 -3.556 1.347 11.026 351 HG23 THR 41 3HG2 THR 41 -4.901 1.619 9.895 352 H GLU 42 H GLU 42 -3.461 3.488 7.185 353 HA GLU 42 HA GLU 42 -1.262 3.505 5.363 354 HB2 GLU 42 2HB GLU 42 -1.269 5.955 5.605 355 HB3 GLU 42 3HB GLU 42 -2.795 5.216 5.168 356 HG2 GLU 42 2HG GLU 42 -3.231 7.018 6.678 357 HG3 GLU 42 3HG GLU 42 -3.661 5.505 7.454 358 H ALA 43 H ALA 43 -1.185 3.806 8.907 359 HA ALA 43 HA ALA 43 1.638 4.377 9.040 360 HB1 ALA 43 1HB ALA 43 -0.242 3.084 11.065 361 HB2 ALA 43 2HB ALA 43 1.373 3.741 11.410 362 HB3 ALA 43 3HB ALA 43 0.071 4.826 10.889 363 H ARG 44 H ARG 44 -0.191 1.357 8.839 364 HA ARG 44 HA ARG 44 2.056 -0.443 9.262 365 HB2 ARG 44 2HB ARG 44 -0.295 -0.965 9.717 366 HB3 ARG 44 3HB ARG 44 -0.679 -0.879 7.995 367 HG2 ARG 44 2HG ARG 44 0.554 -2.828 7.493 368 HG3 ARG 44 3HG ARG 44 1.396 -2.831 9.056 369 HD2 ARG 44 2HD ARG 44 -1.635 -3.045 8.873 370 HD3 ARG 44 3HD ARG 44 -0.605 -4.464 8.721 371 HE ARG 44 HE ARG 44 0.286 -4.051 10.969 372 HH11 ARG 44 1HH2 ARG 44 -2.666 -2.128 10.427 373 HH12 ARG 44 2HH2 ARG 44 -3.021 -2.187 12.121 374 HH21 ARG 44 1HH1 ARG 44 -0.252 -4.012 12.994 375 HH22 ARG 44 2HH1 ARG 44 -1.681 -3.165 13.557 376 H VAL 45 H VAL 45 0.530 0.985 6.400 377 HA VAL 45 HA VAL 45 2.347 -0.137 4.439 378 HB VAL 45 HB VAL 45 0.517 2.284 4.471 379 HG11 VAL 45 1HG1 VAL 45 2.154 1.273 2.121 380 HG12 VAL 45 2HG1 VAL 45 0.850 2.491 2.059 381 HG13 VAL 45 3HG1 VAL 45 2.333 2.853 2.925 382 HG21 VAL 45 3HG2 VAL 45 0.442 -0.397 3.011 383 HG22 VAL 45 1HG2 VAL 45 -0.573 0.076 4.391 384 HG23 VAL 45 2HG2 VAL 45 -0.751 0.900 2.839 385 H ARG 46 H ARG 46 2.450 2.960 6.316 386 HA ARG 46 HA ARG 46 4.905 3.896 5.231 387 HB2 ARG 46 2HB ARG 46 3.244 5.154 6.609 388 HB3 ARG 46 3HB ARG 46 3.815 4.306 8.050 389 HG2 ARG 46 2HG ARG 46 6.061 5.301 7.754 390 HG3 ARG 46 3HG ARG 46 5.513 6.125 6.286 391 HD2 ARG 46 2HD ARG 46 4.378 6.545 9.086 392 HD3 ARG 46 3HD ARG 46 5.536 7.603 8.289 393 HE ARG 46 HE ARG 46 3.880 8.272 6.682 394 HH11 ARG 46 1HH1 ARG 46 2.414 6.589 9.427 395 HH12 ARG 46 2HH1 ARG 46 0.798 6.968 8.808 396 HH21 ARG 46 2HH2 ARG 46 1.703 8.724 6.140 397 HH22 ARG 46 1HH2 ARG 46 0.458 8.049 7.193 398 H VAL 47 H VAL 47 4.380 1.675 7.976 399 HA VAL 47 HA VAL 47 7.170 1.189 8.520 400 HB VAL 47 HB VAL 47 4.663 -0.422 9.079 401 HG11 VAL 47 1HG1 VAL 47 6.050 -1.772 10.652 402 HG12 VAL 47 2HG1 VAL 47 6.459 -2.079 8.966 403 HG13 VAL 47 3HG1 VAL 47 7.516 -1.046 9.956 404 HG21 VAL 47 3HG2 VAL 47 5.021 1.722 10.342 405 HG22 VAL 47 1HG2 VAL 47 5.078 0.298 11.385 406 HG23 VAL 47 2HG2 VAL 47 6.584 1.104 10.898 407 H TRP 48 H TRP 48 4.910 -0.455 6.200 408 HA TRP 48 HA TRP 48 6.832 -2.360 5.293 409 HB2 TRP 48 2HB TRP 48 4.386 -2.385 4.753 410 HB3 TRP 48 3HB TRP 48 4.655 -1.072 3.612 411 HD1 TRP 48 1HD TRP 48 5.009 -4.783 4.031 412 HE1 TRP 48 1HE TRP 48 5.854 -5.889 1.878 413 HE3 TRP 48 3HE TRP 48 6.175 -0.568 1.332 414 HZ2 TRP 48 2HZ TRP 48 6.954 -5.070 -0.657 415 HZ3 TRP 48 3HZ TRP 48 7.125 -0.774 -0.946 416 HH2 TRP 48 2HH TRP 48 7.527 -3.005 -1.951 417 H PHE 49 H PHE 49 6.181 0.978 4.044 418 HA PHE 49 HA PHE 49 8.363 0.872 2.171 419 HB2 PHE 49 2HB PHE 49 6.709 3.132 3.290 420 HB3 PHE 49 3HB PHE 49 8.101 3.444 2.260 421 HD1 PHE 49 2HD PHE 49 8.251 2.265 -0.042 422 HD2 PHE 49 1HD PHE 49 4.613 2.592 2.246 423 HE1 PHE 49 2HE PHE 49 6.917 1.792 -2.083 424 HE2 PHE 49 1HE PHE 49 3.290 2.129 0.198 425 HZ PHE 49 HZ PHE 49 4.440 1.697 -1.955 426 H LYS 50 H LYS 50 8.367 1.721 5.625 427 HA LYS 50 HA LYS 50 11.104 2.730 5.677 428 HB2 LYS 50 2HB LYS 50 9.372 3.060 7.447 429 HB3 LYS 50 3HB LYS 50 9.485 1.363 7.878 430 HG2 LYS 50 2HG LYS 50 11.875 3.251 7.962 431 HG3 LYS 50 3HG LYS 50 10.729 3.090 9.293 432 HD2 LYS 50 2HD LYS 50 11.232 0.606 9.348 433 HD3 LYS 50 3HD LYS 50 12.580 0.906 8.247 434 HE2 LYS 50 2HE LYS 50 12.204 2.210 10.977 435 HE3 LYS 50 3HE LYS 50 13.220 0.804 10.657 436 HZ1 LYS 50 3HZ LYS 50 13.639 3.503 9.484 437 HZ2 LYS 50 1HZ LYS 50 14.561 2.189 9.156 438 HZ3 LYS 50 2HZ LYS 50 14.538 2.823 10.658 439 H ASN 51 H ASN 51 9.746 -0.539 6.231 440 HA ASN 51 HA ASN 51 12.284 -1.853 6.480 441 HB2 ASN 51 2HB ASN 51 9.528 -2.871 5.656 442 HB3 ASN 51 3HB ASN 51 10.912 -3.913 5.970 443 HD21 ASN 51 1HD2 ASN 51 8.695 -4.396 7.430 444 HD22 ASN 51 2HD2 ASN 51 8.953 -3.855 9.082 445 H ARG 52 H ARG 52 10.232 -1.278 3.598 446 HA ARG 52 HA ARG 52 11.873 -2.577 1.683 447 HB2 ARG 52 2HB ARG 52 9.523 -1.776 1.335 448 HB3 ARG 52 3HB ARG 52 10.109 -0.111 1.357 449 HG2 ARG 52 2HG ARG 52 9.713 -0.803 -0.908 450 HG3 ARG 52 3HG ARG 52 11.447 -0.541 -0.684 451 HD2 ARG 52 2HD ARG 52 11.815 -2.970 -0.511 452 HD3 ARG 52 3HD ARG 52 10.063 -3.245 -0.576 453 HE ARG 52 HE ARG 52 11.338 -1.810 -2.847 454 HH11 ARG 52 1HH1 ARG 52 9.920 -4.840 -1.758 455 HH12 ARG 52 2HH1 ARG 52 9.747 -5.433 -3.401 456 HH21 ARG 52 1HH2 ARG 52 11.136 -2.689 -4.876 457 HH22 ARG 52 2HH2 ARG 52 10.311 -4.221 -5.088 458 H ARG 53 H ARG 53 11.987 0.861 2.744 459 HA ARG 53 HA ARG 53 14.267 1.578 1.124 460 HB2 ARG 53 2HB ARG 53 13.055 2.748 3.651 461 HB3 ARG 53 3HB ARG 53 14.492 3.437 2.891 462 HG2 ARG 53 2HG ARG 53 13.331 3.841 0.806 463 HG3 ARG 53 3HG ARG 53 11.870 3.036 1.379 464 HD2 ARG 53 2HD ARG 53 13.091 5.526 2.638 465 HD3 ARG 53 3HD ARG 53 11.767 5.541 1.459 466 HE ARG 53 HE ARG 53 10.805 3.844 3.368 467 HH11 ARG 53 1HH1 ARG 53 12.090 7.093 3.659 468 HH12 ARG 53 2HH1 ARG 53 11.126 7.465 5.060 469 HH21 ARG 53 1HH2 ARG 53 9.552 4.410 5.171 470 HH22 ARG 53 2HH2 ARG 53 9.782 5.962 5.914 471 H ALA 54 H ALA 54 14.111 0.246 4.451 472 HA ALA 54 HA ALA 54 16.929 0.308 4.910 473 HB1 ALA 54 1HB ALA 54 14.833 -1.620 6.001 474 HB2 ALA 54 2HB ALA 54 16.446 -1.324 6.677 475 HB3 ALA 54 3HB ALA 54 15.238 -0.025 6.675 476 H LYS 55 H LYS 55 14.896 -2.357 3.534 477 HA LYS 55 HA LYS 55 17.110 -4.095 2.909 478 HB2 LYS 55 2HB LYS 55 14.292 -3.875 1.768 479 HB3 LYS 55 3HB LYS 55 15.477 -5.061 1.216 480 HG2 LYS 55 2HG LYS 55 15.711 -5.843 3.633 481 HG3 LYS 55 3HG LYS 55 14.349 -4.795 4.034 482 HD2 LYS 55 2HD LYS 55 13.516 -7.035 3.728 483 HD3 LYS 55 3HD LYS 55 12.946 -6.060 2.360 484 HE2 LYS 55 2HE LYS 55 14.804 -6.955 0.959 485 HE3 LYS 55 3HE LYS 55 15.405 -7.883 2.337 486 HZ1 LYS 55 3HZ LYS 55 14.094 -9.203 0.798 487 HZ2 LYS 55 1HZ LYS 55 12.759 -8.288 1.052 488 HZ3 LYS 55 2HZ LYS 55 13.373 -9.191 2.276 489 H TRP 56 H TRP 56 15.585 -1.519 0.960 490 HA TRP 56 HA TRP 56 17.130 -1.913 -1.404 491 HB2 TRP 56 2HB TRP 56 15.108 -0.520 -1.293 492 HB3 TRP 56 3HB TRP 56 15.930 0.632 -0.247 493 HD1 TRP 56 1HD TRP 56 15.858 -0.631 -3.818 494 HE1 TRP 56 1HE TRP 56 17.001 1.051 -5.401 495 HE3 TRP 56 3HE TRP 56 17.752 2.584 -0.319 496 HZ2 TRP 56 2HZ TRP 56 18.581 3.455 -5.158 497 HZ3 TRP 56 3HZ TRP 56 19.128 4.530 -1.018 498 HH2 TRP 56 2HH TRP 56 19.539 4.984 -3.425 499 H ARG 57 H ARG 57 17.752 0.278 1.366 500 HA ARG 57 HA ARG 57 20.304 1.241 0.526 501 HB2 ARG 57 2HB ARG 57 18.867 2.200 2.319 502 HB3 ARG 57 3HB ARG 57 19.255 0.827 3.364 503 HG2 ARG 57 2HG ARG 57 21.646 1.482 3.349 504 HG3 ARG 57 3HG ARG 57 21.284 2.808 2.225 505 HD2 ARG 57 2HD ARG 57 19.796 3.836 3.911 506 HD3 ARG 57 3HD ARG 57 20.128 2.523 5.039 507 HE ARG 57 HE ARG 57 21.900 4.765 4.286 508 HH11 ARG 57 1HH2 ARG 57 21.793 1.698 5.992 509 HH12 ARG 57 2HH2 ARG 57 23.246 2.050 6.885 510 HH21 ARG 57 1HH1 ARG 57 23.739 5.137 5.458 511 HH22 ARG 57 2HH1 ARG 57 24.311 3.945 6.588 512 H LYS 58 H LYS 58 19.507 -1.671 2.392 513 HA LYS 58 HA LYS 58 22.242 -2.656 2.605 514 HB2 LYS 58 2HB LYS 58 20.392 -3.168 4.164 515 HB3 LYS 58 3HB LYS 58 19.546 -4.056 2.895 516 HG2 LYS 58 2HG LYS 58 21.244 -5.775 2.858 517 HG3 LYS 58 3HG LYS 58 22.323 -4.814 3.889 518 HD2 LYS 58 2HD LYS 58 20.728 -4.971 5.749 519 HD3 LYS 58 3HD LYS 58 19.592 -5.893 4.757 520 HE2 LYS 58 2HE LYS 58 22.454 -6.821 5.254 521 HE3 LYS 58 3HE LYS 58 21.166 -7.152 6.413 522 HZ1 LYS 58 3HZ LYS 58 19.969 -8.369 4.726 523 HZ2 LYS 58 1HZ LYS 58 21.477 -8.979 4.820 524 HZ3 LYS 58 2HZ LYS 58 21.059 -8.018 3.564 525 H ARG 59 H ARG 59 20.137 -2.503 -0.051 526 HA ARG 59 HA ARG 59 19.829 -3.574 -2.024 527 HB2 ARG 59 2HB ARG 59 22.823 -3.986 -1.752 528 HB3 ARG 59 3HB ARG 59 21.929 -4.294 -3.237 529 HG2 ARG 59 2HG ARG 59 22.101 -1.573 -1.867 530 HG3 ARG 59 3HG ARG 59 23.135 -2.126 -3.184 531 HD2 ARG 59 2HD ARG 59 21.063 -2.497 -4.582 532 HD3 ARG 59 3HD ARG 59 20.119 -1.703 -3.327 533 HE ARG 59 HE ARG 59 21.985 -0.485 -5.244 534 HH11 ARG 59 1HH1 ARG 59 20.220 0.156 -2.276 535 HH12 ARG 59 2HH1 ARG 59 20.253 1.881 -2.548 536 HH21 ARG 59 1HH2 ARG 59 22.048 1.716 -5.459 537 HH22 ARG 59 2HH2 ARG 59 21.323 2.727 -4.244 538 H GLU 60 H GLU 60 19.116 -5.014 0.157 539 HA GLU 60 HA GLU 60 18.666 -6.970 1.138 540 HB2 GLU 60 2HB GLU 60 17.335 -7.172 -0.886 541 HB3 GLU 60 3HB GLU 60 18.643 -8.056 -1.689 542 HG2 GLU 60 2HG GLU 60 18.456 -9.889 -0.078 543 HG3 GLU 60 3HG GLU 60 17.330 -8.956 0.911 544 H GLU 61 H GLU 61 20.926 -8.221 -1.337 545 HA GLU 61 HA GLU 61 22.705 -9.267 0.812 546 HB2 GLU 61 2HB GLU 61 22.981 -11.385 -0.340 547 HB3 GLU 61 3HB GLU 61 21.308 -11.130 0.137 548 HG2 GLU 61 2HG GLU 61 20.696 -10.518 -2.174 549 HG3 GLU 61 3HG GLU 61 22.380 -10.658 -2.681 550 H PHE 62 H PHE 62 22.659 -6.994 -1.135 551 HA PHE 62 HA PHE 62 23.953 -5.727 -2.355 552 HB2 PHE 62 2HB PHE 62 25.741 -6.467 -0.683 553 HB3 PHE 62 3HB PHE 62 26.387 -7.443 -1.998 554 HD1 PHE 62 1HD PHE 62 25.307 -3.949 -1.116 555 HD2 PHE 62 2HD PHE 62 27.847 -6.400 -3.598 556 HE1 PHE 62 1HE PHE 62 26.384 -1.907 -2.033 557 HE2 PHE 62 2HE PHE 62 28.924 -4.357 -4.506 558 HZ PHE 62 HZ PHE 62 28.193 -2.108 -3.731 559 H ILE 63 H ILE 63 25.187 -5.480 -4.376 560 HA ILE 63 HA ILE 63 24.160 -7.410 -6.411 561 HB ILE 63 HB ILE 63 23.517 -5.361 -7.752 562 HG12 ILE 63 2HG1 ILE 63 22.879 -3.327 -6.577 563 HG13 ILE 63 3HG1 ILE 63 23.587 -3.899 -5.073 564 HG21 ILE 63 1HG2 ILE 63 21.912 -6.858 -6.643 565 HG22 ILE 63 2HG2 ILE 63 22.000 -5.880 -5.165 566 HG23 ILE 63 3HG2 ILE 63 21.346 -5.184 -6.660 567 HD11 ILE 63 3HD1 ILE 63 25.831 -3.703 -5.988 568 HD12 ILE 63 1HD1 ILE 63 25.183 -3.374 -7.618 569 HD13 ILE 63 2HD1 ILE 63 24.958 -2.202 -6.304 570 H VAL 64 H VAL 64 24.924 -6.815 -8.670 571 HA VAL 64 HA VAL 64 27.679 -5.784 -8.809 572 HB VAL 64 HB VAL 64 27.925 -8.183 -8.306 573 HG11 VAL 64 1HG1 VAL 64 26.588 -8.726 -10.989 574 HG12 VAL 64 2HG1 VAL 64 27.362 -9.913 -9.923 575 HG13 VAL 64 3HG1 VAL 64 25.892 -9.084 -9.393 576 HG21 VAL 64 3HG2 VAL 64 29.626 -6.983 -9.656 577 HG22 VAL 64 1HG2 VAL 64 29.540 -8.716 -10.002 578 HG23 VAL 64 2HG2 VAL 64 28.829 -7.562 -11.141 579 H THR 65 H THR 65 28.306 -5.102 -10.886 580 HA THR 65 HA THR 65 26.469 -5.328 -13.154 581 HB THR 65 HB THR 65 25.567 -3.421 -11.837 582 HG1 THR 65 1HG THR 65 25.398 -2.097 -13.621 583 HG21 THR 65 1HG2 THR 65 28.139 -1.968 -12.595 584 HG22 THR 65 2HG2 THR 65 27.694 -2.473 -10.949 585 HG23 THR 65 3HG2 THR 65 26.710 -1.275 -11.802 586 H ASP 66 H ASP 66 27.383 -4.326 -15.121 587 HA ASP 66 HA ASP 66 30.312 -3.973 -15.236 588 HB2 ASP 66 2HB ASP 66 30.037 -6.414 -15.356 589 HB3 ASP 66 3HB ASP 66 28.890 -6.242 -16.679 Start of MODEL 17 1 H1 GLY -1 1H GLY -1 -16.389 -17.337 4.761 2 H2 GLY -1 2H GLY -1 -15.985 -18.587 3.780 3 H3 GLY -1 3H GLY -1 -16.786 -18.870 5.179 4 HA2 GLY -1 2HA GLY -1 -18.300 -19.072 3.327 5 HA3 GLY -1 3HA GLY -1 -18.742 -17.719 4.381 6 H SER 0 H SER 0 -19.056 -15.787 3.413 7 HA SER 0 HA SER 0 -18.377 -15.350 0.590 8 HB2 SER 0 2HB SER 0 -19.669 -13.265 0.905 9 HB3 SER 0 3HB SER 0 -20.568 -14.712 1.384 10 HG SER 0 HG SER 0 -20.765 -13.037 2.938 11 H GLN 1 H GLN 1 -17.550 -13.116 0.006 12 HA GLN 1 HA GLN 1 -15.789 -11.749 -0.226 13 HB2 GLN 1 2HB GLN 1 -15.949 -11.367 2.775 14 HB3 GLN 1 3HB GLN 1 -15.338 -10.229 1.578 15 HG2 GLN 1 2HG GLN 1 -18.234 -11.110 1.938 16 HG3 GLN 1 3HG GLN 1 -17.541 -9.545 2.328 17 HE21 GLN 1 1HE2 GLN 1 -16.886 -8.104 0.508 18 HE22 GLN 1 2HE2 GLN 1 -17.603 -8.378 -1.075 19 H ARG 2 H ARG 2 -15.040 -14.540 0.211 20 HA ARG 2 HA ARG 2 -12.761 -14.836 1.851 21 HB2 ARG 2 2HB ARG 2 -12.521 -17.012 0.827 22 HB3 ARG 2 3HB ARG 2 -14.222 -16.659 1.109 23 HG2 ARG 2 2HG ARG 2 -14.451 -16.027 -1.337 24 HG3 ARG 2 3HG ARG 2 -12.753 -16.457 -1.566 25 HD2 ARG 2 2HD ARG 2 -14.059 -18.290 -2.312 26 HD3 ARG 2 3HD ARG 2 -13.282 -18.790 -0.801 27 HE ARG 2 HE ARG 2 -15.746 -17.843 0.039 28 HH11 ARG 2 1HH1 ARG 2 -14.875 -20.321 -2.295 29 HH12 ARG 2 2HH1 ARG 2 -16.386 -21.160 -2.077 30 HH21 ARG 2 1HH2 ARG 2 -17.579 -18.918 0.256 31 HH22 ARG 2 2HH2 ARG 2 -17.903 -20.383 -0.653 32 H ARG 3 H ARG 3 -12.741 -13.035 -0.913 33 HA ARG 3 HA ARG 3 -9.997 -13.444 -1.814 34 HB2 ARG 3 2HB ARG 3 -11.829 -12.449 -3.193 35 HB3 ARG 3 3HB ARG 3 -11.917 -11.083 -2.092 36 HG2 ARG 3 2HG ARG 3 -10.712 -10.522 -4.153 37 HG3 ARG 3 3HG ARG 3 -9.693 -10.327 -2.736 38 HD2 ARG 3 2HD ARG 3 -8.459 -11.310 -4.600 39 HD3 ARG 3 3HD ARG 3 -8.519 -12.423 -3.230 40 HE ARG 3 HE ARG 3 -10.686 -12.940 -5.073 41 HH11 ARG 3 1HH2 ARG 3 -7.215 -13.412 -4.879 42 HH12 ARG 3 2HH2 ARG 3 -7.281 -14.886 -5.816 43 HH21 ARG 3 1HH1 ARG 3 -10.683 -14.794 -6.299 44 HH22 ARG 3 2HH1 ARG 3 -9.187 -15.617 -6.626 45 H GLN 4 H GLN 4 -11.508 -11.613 0.785 46 HA GLN 4 HA GLN 4 -8.907 -10.321 1.495 47 HB2 GLN 4 2HB GLN 4 -11.741 -9.738 2.424 48 HB3 GLN 4 3HB GLN 4 -10.279 -8.958 3.048 49 HG2 GLN 4 2HG GLN 4 -9.745 -8.138 0.745 50 HG3 GLN 4 3HG GLN 4 -11.258 -8.839 0.157 51 HE21 GLN 4 1HE2 GLN 4 -13.327 -7.933 1.057 52 HE22 GLN 4 2HE2 GLN 4 -13.303 -6.277 1.650 53 H ARG 5 H ARG 5 -7.818 -10.889 3.278 54 HA ARG 5 HA ARG 5 -8.880 -12.937 5.169 55 HB2 ARG 5 2HB ARG 5 -6.346 -13.298 3.501 56 HB3 ARG 5 3HB ARG 5 -6.944 -14.398 4.749 57 HG2 ARG 5 2HG ARG 5 -9.031 -14.744 3.389 58 HG3 ARG 5 3HG ARG 5 -8.314 -13.752 2.106 59 HD2 ARG 5 2HD ARG 5 -6.427 -15.359 1.943 60 HD3 ARG 5 3HD ARG 5 -7.253 -16.398 3.130 61 HE ARG 5 HE ARG 5 -9.079 -15.713 1.032 62 HH11 ARG 5 1HH1 ARG 5 -6.287 -17.800 1.420 63 HH12 ARG 5 2HH1 ARG 5 -6.797 -18.848 0.122 64 HH21 ARG 5 1HH2 ARG 5 -9.650 -17.021 -0.557 65 HH22 ARG 5 2HH2 ARG 5 -8.685 -18.416 -0.984 66 H THR 6 H THR 6 -7.193 -13.469 6.873 67 HA THR 6 HA THR 6 -6.425 -11.012 8.199 68 HB THR 6 HB THR 6 -5.498 -12.592 9.940 69 HG1 THR 6 1HG THR 6 -6.055 -14.762 9.701 70 HG21 THR 6 1HG2 THR 6 -7.817 -11.716 10.050 71 HG22 THR 6 2HG2 THR 6 -7.696 -13.359 10.700 72 HG23 THR 6 3HG2 THR 6 -8.385 -13.095 9.082 73 H HIS 7 H HIS 7 -4.378 -10.437 8.998 74 HA HIS 7 HA HIS 7 -2.288 -9.654 8.631 75 HB2 HIS 7 2HB HIS 7 -1.884 -12.067 9.391 76 HB3 HIS 7 3HB HIS 7 -1.496 -12.427 7.712 77 HD2 HIS 7 2HD HIS 7 -0.315 -10.129 10.638 78 HE1 HIS 7 1HE HIS 7 3.034 -10.703 8.055 79 HE2 HIS 7 2HE HIS 7 2.256 -9.684 10.257 80 H PHE 8 H PHE 8 -0.294 -10.288 6.636 81 HA PHE 8 HA PHE 8 -1.369 -8.760 4.372 82 HB2 PHE 8 2HB PHE 8 1.358 -9.882 5.063 83 HB3 PHE 8 3HB PHE 8 0.990 -9.202 3.493 84 HD1 PHE 8 1HD PHE 8 1.067 -8.330 7.143 85 HD2 PHE 8 2HD PHE 8 1.081 -6.881 3.080 86 HE1 PHE 8 1HE PHE 8 1.651 -6.057 7.953 87 HE2 PHE 8 2HE PHE 8 1.690 -4.617 3.894 88 HZ PHE 8 HZ PHE 8 1.978 -4.201 6.325 89 H THR 9 H THR 9 -2.175 -9.599 2.528 90 HA THR 9 HA THR 9 -1.941 -12.495 1.941 91 HB THR 9 HB THR 9 -3.495 -12.193 0.195 92 HG1 THR 9 1HG THR 9 -4.295 -10.104 -0.301 93 HG21 THR 9 1HG2 THR 9 -5.454 -11.332 1.296 94 HG22 THR 9 2HG2 THR 9 -4.476 -10.370 2.426 95 HG23 THR 9 3HG2 THR 9 -4.449 -12.145 2.511 96 H SER 10 H SER 10 -1.326 -13.236 -0.248 97 HA SER 10 HA SER 10 1.195 -12.275 -1.181 98 HB2 SER 10 2HB SER 10 0.675 -13.706 -3.180 99 HB3 SER 10 3HB SER 10 0.527 -14.537 -1.619 100 HG SER 10 HG SER 10 -1.261 -14.967 -3.002 101 H GLN 11 H GLN 11 -2.136 -11.516 -2.222 102 HA GLN 11 HA GLN 11 -1.351 -9.946 -4.514 103 HB2 GLN 11 2HB GLN 11 -3.948 -10.037 -2.925 104 HB3 GLN 11 3HB GLN 11 -3.715 -9.148 -4.438 105 HG2 GLN 11 2HG GLN 11 -3.085 -11.287 -5.580 106 HG3 GLN 11 3HG GLN 11 -3.426 -12.169 -4.088 107 HE21 GLN 11 1HE2 GLN 11 -4.977 -10.037 -6.562 108 HE22 GLN 11 2HE2 GLN 11 -6.574 -10.724 -6.327 109 H GLN 12 H GLN 12 -2.068 -9.033 -1.104 110 HA GLN 12 HA GLN 12 -1.780 -6.185 -1.486 111 HB2 GLN 12 2HB GLN 12 -1.402 -8.033 0.900 112 HB3 GLN 12 3HB GLN 12 -1.229 -6.281 1.016 113 HG2 GLN 12 2HG GLN 12 -3.521 -5.901 0.390 114 HG3 GLN 12 3HG GLN 12 -3.786 -7.588 -0.007 115 HE21 GLN 12 2HE2 GLN 12 -5.252 -5.906 1.985 116 HE22 GLN 12 1HE2 GLN 12 -5.055 -6.794 3.496 117 H LEU 13 H LEU 13 0.597 -8.724 -0.534 118 HA LEU 13 HA LEU 13 2.853 -6.950 -0.377 119 HB2 LEU 13 2HB LEU 13 2.620 -9.945 -0.879 120 HB3 LEU 13 3HB LEU 13 4.156 -9.124 -0.615 121 HG LEU 13 HG LEU 13 1.876 -9.086 1.408 122 HD11 LEU 13 1HD1 LEU 13 2.681 -11.386 1.069 123 HD12 LEU 13 2HD1 LEU 13 3.172 -10.766 2.651 124 HD13 LEU 13 3HD1 LEU 13 4.358 -10.849 1.327 125 HD21 LEU 13 3HD2 LEU 13 3.664 -8.427 2.993 126 HD22 LEU 13 1HD2 LEU 13 3.447 -7.231 1.712 127 HD23 LEU 13 2HD2 LEU 13 4.824 -8.364 1.645 128 H GLN 14 H GLN 14 1.581 -8.878 -3.124 129 HA GLN 14 HA GLN 14 3.618 -8.143 -4.983 130 HB2 GLN 14 2HB GLN 14 2.085 -10.037 -5.260 131 HB3 GLN 14 3HB GLN 14 0.712 -8.933 -5.438 132 HG2 GLN 14 2HG GLN 14 1.659 -8.055 -7.530 133 HG3 GLN 14 3HG GLN 14 3.130 -9.011 -7.298 134 HE21 GLN 14 1HE2 GLN 14 -0.454 -9.373 -7.729 135 HE22 GLN 14 2HE2 GLN 14 -0.316 -10.941 -8.513 136 H GLU 15 H GLU 15 0.450 -6.532 -4.247 137 HA GLU 15 HA GLU 15 0.870 -4.440 -6.195 138 HB2 GLU 15 2HB GLU 15 -0.986 -4.810 -3.829 139 HB3 GLU 15 3HB GLU 15 -0.883 -3.249 -4.625 140 HG2 GLU 15 2HG GLU 15 -1.568 -5.866 -6.028 141 HG3 GLU 15 3HG GLU 15 -2.725 -4.633 -5.528 142 H LEU 16 H LEU 16 1.799 -4.655 -2.746 143 HA LEU 16 HA LEU 16 2.826 -1.964 -2.587 144 HB2 LEU 16 2HB LEU 16 3.408 -4.522 -1.060 145 HB3 LEU 16 3HB LEU 16 4.205 -3.000 -0.685 146 HG LEU 16 HG LEU 16 1.173 -3.263 -0.679 147 HD11 LEU 16 1HD1 LEU 16 2.128 -4.828 0.968 148 HD12 LEU 16 2HD1 LEU 16 1.348 -3.452 1.765 149 HD13 LEU 16 3HD1 LEU 16 3.119 -3.519 1.649 150 HD21 LEU 16 3HD2 LEU 16 1.293 -1.260 0.743 151 HD22 LEU 16 1HD2 LEU 16 2.032 -0.951 -0.827 152 HD23 LEU 16 2HD2 LEU 16 3.064 -1.235 0.590 153 H GLU 17 H GLU 17 4.447 -5.073 -3.409 154 HA GLU 17 HA GLU 17 6.998 -3.891 -3.990 155 HB2 GLU 17 2HB GLU 17 6.554 -6.286 -3.458 156 HB3 GLU 17 3HB GLU 17 5.779 -6.479 -5.038 157 HG2 GLU 17 2HG GLU 17 7.903 -5.949 -6.165 158 HG3 GLU 17 3HG GLU 17 8.667 -5.593 -4.612 159 H ALA 18 H ALA 18 4.117 -4.299 -6.025 160 HA ALA 18 HA ALA 18 5.439 -3.465 -8.461 161 HB1 ALA 18 1HB ALA 18 3.188 -3.409 -9.385 162 HB2 ALA 18 2HB ALA 18 3.440 -4.897 -8.461 163 HB3 ALA 18 3HB ALA 18 2.479 -3.572 -7.761 164 H THR 19 H THR 19 3.226 -1.669 -6.162 165 HA THR 19 HA THR 19 3.364 0.733 -7.686 166 HB THR 19 HB THR 19 1.631 0.203 -5.989 167 HG1 THR 19 1HG THR 19 1.333 2.347 -5.607 168 HG21 THR 19 1HG2 THR 19 3.169 -0.306 -4.051 169 HG22 THR 19 2HG2 THR 19 1.909 0.883 -3.698 170 HG23 THR 19 3HG2 THR 19 3.579 1.421 -3.986 171 H PHE 20 H PHE 20 5.483 -0.416 -5.112 172 HA PHE 20 HA PHE 20 7.238 1.723 -4.708 173 HB2 PHE 20 2HB PHE 20 7.202 -0.491 -3.588 174 HB3 PHE 20 3HB PHE 20 7.773 -1.258 -5.052 175 HD1 PHE 20 2HD PHE 20 8.691 1.224 -2.407 176 HD2 PHE 20 1HD PHE 20 10.108 -1.532 -5.404 177 HE1 PHE 20 2HE PHE 20 10.979 1.360 -1.453 178 HE2 PHE 20 1HE PHE 20 12.405 -1.359 -4.477 179 HZ PHE 20 HZ PHE 20 12.841 0.069 -2.491 180 H GLN 21 H GLN 21 7.001 -0.416 -7.531 181 HA GLN 21 HA GLN 21 9.382 0.764 -8.849 182 HB2 GLN 21 2HB GLN 21 7.610 -1.592 -9.610 183 HB3 GLN 21 3HB GLN 21 9.078 -1.081 -10.450 184 HG2 GLN 21 2HG GLN 21 10.426 -1.553 -8.425 185 HG3 GLN 21 3HG GLN 21 8.964 -2.034 -7.553 186 HE21 GLN 21 1HE2 GLN 21 8.118 -4.092 -7.840 187 HE22 GLN 21 2HE2 GLN 21 8.855 -5.286 -8.920 188 H ARG 22 H ARG 22 5.834 0.647 -9.231 189 HA ARG 22 HA ARG 22 5.632 1.728 -11.875 190 HB2 ARG 22 2HB ARG 22 3.761 1.948 -9.480 191 HB3 ARG 22 3HB ARG 22 3.343 2.510 -11.091 192 HG2 ARG 22 2HG ARG 22 3.431 0.279 -12.019 193 HG3 ARG 22 3HG ARG 22 4.053 -0.389 -10.509 194 HD2 ARG 22 2HD ARG 22 1.948 0.450 -9.365 195 HD3 ARG 22 3HD ARG 22 1.312 0.864 -10.963 196 HE ARG 22 HE ARG 22 1.873 -1.711 -11.391 197 HH11 ARG 22 1HH1 ARG 22 0.216 -0.349 -8.598 198 HH12 ARG 22 2HH1 ARG 22 -0.595 -1.866 -8.251 199 HH21 ARG 22 1HH2 ARG 22 0.759 -3.585 -10.858 200 HH22 ARG 22 2HH2 ARG 22 -0.234 -3.617 -9.416 201 H ASN 23 H ASN 23 5.804 3.412 -8.751 202 HA ASN 23 HA ASN 23 6.020 6.029 -10.199 203 HB2 ASN 23 2HB ASN 23 4.985 7.037 -8.219 204 HB3 ASN 23 3HB ASN 23 3.973 5.799 -8.947 205 HD21 ASN 23 1HD2 ASN 23 2.821 4.977 -7.250 206 HD22 ASN 23 2HD2 ASN 23 3.579 4.208 -5.881 207 H ARG 24 H ARG 24 8.015 3.929 -8.595 208 HA ARG 24 HA ARG 24 9.999 4.006 -7.492 209 HB2 ARG 24 2HB ARG 24 10.454 6.651 -8.901 210 HB3 ARG 24 3HB ARG 24 11.674 5.577 -8.222 211 HG2 ARG 24 2HG ARG 24 9.861 4.993 -10.595 212 HG3 ARG 24 3HG ARG 24 11.571 5.408 -10.658 213 HD2 ARG 24 2HD ARG 24 12.223 3.305 -9.660 214 HD3 ARG 24 3HD ARG 24 10.561 2.924 -9.224 215 HE ARG 24 HE ARG 24 10.014 2.327 -11.374 216 HH11 ARG 24 1HH1 ARG 24 13.315 3.528 -11.450 217 HH12 ARG 24 2HH1 ARG 24 13.595 2.903 -13.053 218 HH21 ARG 24 1HH2 ARG 24 10.442 1.565 -13.391 219 HH22 ARG 24 2HH2 ARG 24 12.001 1.817 -14.123 220 H TYR 25 H TYR 25 9.032 4.003 -5.582 221 HA TYR 25 HA TYR 25 8.748 4.505 -3.425 222 HB2 TYR 25 2HB TYR 25 10.442 6.974 -3.761 223 HB3 TYR 25 3HB TYR 25 10.072 6.110 -2.287 224 HD1 TYR 25 2HD TYR 25 11.089 3.872 -1.837 225 HD2 TYR 25 1HD TYR 25 12.137 6.162 -5.345 226 HE1 TYR 25 2HE TYR 25 13.143 2.476 -2.162 227 HE2 TYR 25 1HE TYR 25 14.159 4.759 -5.663 228 HH TYR 25 HH TYR 25 15.393 2.993 -4.885 229 HA PRO 26 HA PRO 26 5.159 7.076 -4.348 230 HB2 PRO 26 2HB PRO 26 3.434 6.152 -2.395 231 HB3 PRO 26 3HB PRO 26 3.788 5.306 -3.927 232 HG2 PRO 26 2HG PRO 26 5.030 4.837 -1.207 233 HG3 PRO 26 3HG PRO 26 4.404 3.628 -2.377 234 HD2 PRO 26 2HD PRO 26 7.042 4.206 -2.168 235 HD3 PRO 26 3HD PRO 26 6.298 3.866 -3.761 236 H ASP 27 H ASP 27 4.122 8.893 -3.583 237 HA ASP 27 HA ASP 27 5.322 10.442 -1.428 238 HB2 ASP 27 2HB ASP 27 4.487 11.471 -3.497 239 HB3 ASP 27 3HB ASP 27 2.864 10.866 -3.171 240 H MET 28 H MET 28 4.142 11.252 0.471 241 HA MET 28 HA MET 28 2.977 9.238 2.043 242 HB2 MET 28 2HB MET 28 2.863 12.273 2.300 243 HB3 MET 28 3HB MET 28 2.295 11.151 3.534 244 HG2 MET 28 2HG MET 28 4.436 11.834 4.195 245 HG3 MET 28 3HG MET 28 4.576 10.161 3.689 246 HE1 MET 28 3HE MET 28 7.373 10.160 1.207 247 HE2 MET 28 1HE MET 28 6.861 9.555 2.797 248 HE3 MET 28 2HE MET 28 5.777 9.405 1.396 249 H SER 29 H SER 29 1.270 11.619 -0.045 250 HA SER 29 HA SER 29 -1.387 10.834 0.899 251 HB2 SER 29 2HB SER 29 -0.493 12.273 -1.627 252 HB3 SER 29 3HB SER 29 -2.177 12.029 -1.128 253 HG SER 29 HG SER 29 -1.326 14.078 -0.465 254 H THR 30 H THR 30 0.733 9.828 -1.814 255 HA THR 30 HA THR 30 -1.114 8.019 -3.063 256 HB THR 30 HB THR 30 1.918 7.801 -2.972 257 HG1 THR 30 1HG THR 30 0.266 9.225 -4.783 258 HG21 THR 30 1HG2 THR 30 -0.121 6.840 -5.022 259 HG22 THR 30 2HG2 THR 30 0.901 5.825 -3.981 260 HG23 THR 30 3HG2 THR 30 1.646 6.820 -5.238 261 H ARG 31 H ARG 31 1.298 7.548 -0.444 262 HA ARG 31 HA ARG 31 0.933 4.737 -0.077 263 HB2 ARG 31 2HB ARG 31 1.655 6.922 1.939 264 HB3 ARG 31 3HB ARG 31 1.737 5.191 2.284 265 HG2 ARG 31 2HG ARG 31 3.392 4.858 0.514 266 HG3 ARG 31 3HG ARG 31 3.274 6.542 0.037 267 HD2 ARG 31 2HD ARG 31 4.001 7.115 2.454 268 HD3 ARG 31 3HD ARG 31 4.451 5.403 2.581 269 HE ARG 31 HE ARG 31 5.458 6.955 0.246 270 HH11 ARG 31 1HH2 ARG 31 6.412 5.720 3.390 271 HH12 ARG 31 2HH2 ARG 31 8.100 5.935 3.027 272 HH21 ARG 31 1HH1 ARG 31 7.486 7.225 -0.123 273 HH22 ARG 31 2HH1 ARG 31 8.719 6.782 1.044 274 H GLU 32 H GLU 32 -0.948 7.449 1.304 275 HA GLU 32 HA GLU 32 -2.646 5.704 2.873 276 HB2 GLU 32 2HB GLU 32 -2.280 8.119 3.364 277 HB3 GLU 32 3HB GLU 32 -3.148 8.546 1.883 278 HG2 GLU 32 2HG GLU 32 -5.199 7.449 2.781 279 HG3 GLU 32 3HG GLU 32 -4.314 7.001 4.241 280 H GLU 33 H GLU 33 -3.025 7.128 -0.431 281 HA GLU 33 HA GLU 33 -5.631 5.981 -0.905 282 HB2 GLU 33 2HB GLU 33 -3.392 6.785 -2.813 283 HB3 GLU 33 3HB GLU 33 -4.973 6.196 -3.337 284 HG2 GLU 33 2HG GLU 33 -6.086 8.030 -2.093 285 HG3 GLU 33 3HG GLU 33 -4.515 8.675 -1.629 286 H ILE 34 H ILE 34 -2.329 4.597 -1.640 287 HA ILE 34 HA ILE 34 -3.565 2.172 -2.596 288 HB ILE 34 HB ILE 34 -1.452 1.164 -2.747 289 HG12 ILE 34 2HG1 ILE 34 0.657 2.513 -2.240 290 HG13 ILE 34 3HG1 ILE 34 -0.333 3.437 -1.118 291 HG21 ILE 34 1HG2 ILE 34 -1.182 4.063 -3.598 292 HG22 ILE 34 2HG2 ILE 34 -0.420 2.647 -4.333 293 HG23 ILE 34 3HG2 ILE 34 -2.175 2.851 -4.433 294 HD11 ILE 34 3HD1 ILE 34 1.066 1.453 -0.234 295 HD12 ILE 34 1HD1 ILE 34 -0.604 1.555 0.321 296 HD13 ILE 34 2HD1 ILE 34 -0.155 0.403 -0.963 297 H ALA 35 H ALA 35 -2.708 3.189 0.679 298 HA ALA 35 HA ALA 35 -3.057 0.612 1.908 299 HB1 ALA 35 1HB ALA 35 -2.019 2.589 3.022 300 HB2 ALA 35 2HB ALA 35 -3.611 3.372 3.080 301 HB3 ALA 35 3HB ALA 35 -3.325 1.868 3.968 302 H VAL 36 H VAL 36 -5.399 3.244 1.169 303 HA VAL 36 HA VAL 36 -7.773 1.893 2.044 304 HB VAL 36 HB VAL 36 -7.273 4.051 -0.036 305 HG11 VAL 36 1HG1 VAL 36 -9.366 2.957 -0.708 306 HG12 VAL 36 2HG1 VAL 36 -9.982 3.094 0.956 307 HG13 VAL 36 3HG1 VAL 36 -9.658 4.550 -0.021 308 HG21 VAL 36 3HG2 VAL 36 -6.900 4.639 2.362 309 HG22 VAL 36 1HG2 VAL 36 -8.243 5.524 1.631 310 HG23 VAL 36 2HG2 VAL 36 -8.569 4.151 2.715 311 H TRP 37 H TRP 37 -6.166 1.912 -1.187 312 HA TRP 37 HA TRP 37 -8.121 0.226 -2.424 313 HB2 TRP 37 2HB TRP 37 -5.238 0.733 -3.181 314 HB3 TRP 37 3HB TRP 37 -6.461 0.040 -4.234 315 HD1 TRP 37 1HD TRP 37 -8.332 2.667 -2.748 316 HE1 TRP 37 1HE TRP 37 -8.228 4.885 -4.037 317 HE3 TRP 37 3HE TRP 37 -4.236 1.700 -5.651 318 HZ2 TRP 37 2HZ TRP 37 -6.518 6.117 -6.011 319 HZ3 TRP 37 3HZ TRP 37 -3.359 3.435 -7.202 320 HH2 TRP 37 2HH TRP 37 -4.488 5.641 -7.387 321 H THR 38 H THR 38 -5.089 -0.624 -0.754 322 HA THR 38 HA THR 38 -5.419 -3.507 -1.322 323 HB THR 38 HB THR 38 -3.408 -3.782 0.101 324 HG1 THR 38 1HG THR 38 -3.253 -0.976 0.077 325 HG21 THR 38 1HG2 THR 38 -3.108 -3.493 -2.304 326 HG22 THR 38 2HG2 THR 38 -1.790 -2.728 -1.399 327 HG23 THR 38 3HG2 THR 38 -3.073 -1.729 -2.116 328 H ASN 39 H ASN 39 -6.784 -1.423 0.910 329 HA ASN 39 HA ASN 39 -7.708 -1.503 2.901 330 HB2 ASN 39 2HB ASN 39 -9.114 -3.228 1.692 331 HB3 ASN 39 3HB ASN 39 -8.160 -4.477 2.501 332 HD21 ASN 39 1HD2 ASN 39 -10.551 -4.921 3.157 333 HD22 ASN 39 2HD2 ASN 39 -11.051 -4.160 4.671 334 H LEU 40 H LEU 40 -5.256 -1.209 3.197 335 HA LEU 40 HA LEU 40 -4.437 -2.709 5.655 336 HB2 LEU 40 2HB LEU 40 -2.710 -1.337 3.550 337 HB3 LEU 40 3HB LEU 40 -2.106 -1.971 5.075 338 HG LEU 40 HG LEU 40 -3.345 -3.649 2.841 339 HD11 LEU 40 1HD1 LEU 40 -1.149 -2.718 2.258 340 HD12 LEU 40 2HD1 LEU 40 -1.030 -4.460 2.551 341 HD13 LEU 40 3HD1 LEU 40 -0.469 -3.313 3.790 342 HD21 LEU 40 3HD2 LEU 40 -2.407 -5.559 4.171 343 HD22 LEU 40 1HD2 LEU 40 -3.741 -4.733 4.980 344 HD23 LEU 40 2HD2 LEU 40 -2.059 -4.430 5.495 345 H THR 41 H THR 41 -3.065 -1.218 7.115 346 HA THR 41 HA THR 41 -4.333 1.469 7.290 347 HB THR 41 HB THR 41 -3.187 1.705 9.436 348 HG1 THR 41 1HG THR 41 -1.980 0.199 10.256 349 HG21 THR 41 1HG2 THR 41 -4.836 -0.853 9.265 350 HG22 THR 41 2HG2 THR 41 -5.496 0.796 9.332 351 HG23 THR 41 3HG2 THR 41 -4.577 0.160 10.705 352 H GLU 42 H GLU 42 -3.209 3.379 7.086 353 HA GLU 42 HA GLU 42 -1.009 3.337 5.290 354 HB2 GLU 42 2HB GLU 42 -0.984 5.734 5.472 355 HB3 GLU 42 3HB GLU 42 -2.616 5.106 5.315 356 HG2 GLU 42 2HG GLU 42 -3.033 6.657 6.909 357 HG3 GLU 42 3HG GLU 42 -2.630 5.332 7.986 358 H ALA 43 H ALA 43 -0.976 3.319 8.797 359 HA ALA 43 HA ALA 43 1.788 4.045 9.082 360 HB1 ALA 43 1HB ALA 43 -0.058 2.459 10.926 361 HB2 ALA 43 2HB ALA 43 1.504 3.175 11.377 362 HB3 ALA 43 3HB ALA 43 0.154 4.226 10.913 363 H ARG 44 H ARG 44 0.145 0.851 8.773 364 HA ARG 44 HA ARG 44 2.552 -0.768 8.954 365 HB2 ARG 44 2HB ARG 44 -0.198 -1.249 7.754 366 HB3 ARG 44 3HB ARG 44 1.106 -2.438 7.670 367 HG2 ARG 44 2HG ARG 44 1.299 -2.491 10.118 368 HG3 ARG 44 3HG ARG 44 0.013 -1.276 10.265 369 HD2 ARG 44 2HD ARG 44 -1.529 -2.815 9.036 370 HD3 ARG 44 3HD ARG 44 -0.255 -4.030 8.975 371 HE ARG 44 HE ARG 44 -0.476 -4.459 11.276 372 HH11 ARG 44 1HH1 ARG 44 -2.678 -1.856 10.427 373 HH12 ARG 44 2HH1 ARG 44 -3.643 -2.104 11.861 374 HH21 ARG 44 1HH2 ARG 44 -1.722 -4.667 13.096 375 HH22 ARG 44 2HH2 ARG 44 -3.095 -3.627 13.337 376 H VAL 45 H VAL 45 0.813 0.701 6.229 377 HA VAL 45 HA VAL 45 2.558 -0.223 4.146 378 HB VAL 45 HB VAL 45 0.670 2.138 4.389 379 HG11 VAL 45 1HG1 VAL 45 2.126 1.208 1.899 380 HG12 VAL 45 2HG1 VAL 45 0.815 2.419 1.972 381 HG13 VAL 45 3HG1 VAL 45 2.364 2.775 2.717 382 HG21 VAL 45 3HG2 VAL 45 -0.670 0.727 2.800 383 HG22 VAL 45 1HG2 VAL 45 0.564 -0.535 2.912 384 HG23 VAL 45 2HG2 VAL 45 -0.384 -0.091 4.342 385 H ARG 46 H ARG 46 2.710 2.830 6.092 386 HA ARG 46 HA ARG 46 5.078 3.836 4.865 387 HB2 ARG 46 2HB ARG 46 3.527 5.110 6.310 388 HB3 ARG 46 3HB ARG 46 4.076 4.198 7.723 389 HG2 ARG 46 2HG ARG 46 6.378 5.095 7.397 390 HG3 ARG 46 3HG ARG 46 5.824 6.005 5.983 391 HD2 ARG 46 2HD ARG 46 4.803 6.348 8.838 392 HD3 ARG 46 3HD ARG 46 5.997 7.376 8.055 393 HE ARG 46 HE ARG 46 4.345 8.245 6.563 394 HH11 ARG 46 1HH1 ARG 46 2.866 6.276 9.066 395 HH12 ARG 46 2HH1 ARG 46 1.248 6.804 8.640 396 HH21 ARG 46 1HH2 ARG 46 2.262 8.935 6.161 397 HH22 ARG 46 2HH2 ARG 46 0.937 8.250 7.078 398 H VAL 47 H VAL 47 4.753 1.664 7.713 399 HA VAL 47 HA VAL 47 7.586 1.341 8.119 400 HB VAL 47 HB VAL 47 5.247 -0.454 8.844 401 HG11 VAL 47 1HG1 VAL 47 6.832 -1.570 10.427 402 HG12 VAL 47 2HG1 VAL 47 7.225 -1.907 8.743 403 HG13 VAL 47 3HG1 VAL 47 8.183 -0.718 9.649 404 HG21 VAL 47 3HG2 VAL 47 5.662 0.411 11.108 405 HG22 VAL 47 1HG2 VAL 47 7.039 1.368 10.521 406 HG23 VAL 47 2HG2 VAL 47 5.390 1.765 10.006 407 H TRP 48 H TRP 48 5.301 -0.476 6.001 408 HA TRP 48 HA TRP 48 7.161 -2.426 5.144 409 HB2 TRP 48 2HB TRP 48 4.647 -2.358 4.795 410 HB3 TRP 48 3HB TRP 48 4.927 -1.265 3.448 411 HD1 TRP 48 1HD TRP 48 4.907 -4.857 4.429 412 HE1 TRP 48 1HE TRP 48 5.469 -6.374 2.442 413 HE3 TRP 48 3HE TRP 48 6.529 -1.299 1.116 414 HZ2 TRP 48 2HZ TRP 48 6.534 -6.096 -0.224 415 HZ3 TRP 48 3HZ TRP 48 7.356 -1.963 -1.128 416 HH2 TRP 48 2HH TRP 48 7.376 -4.356 -1.800 417 H PHE 49 H PHE 49 6.437 0.766 3.573 418 HA PHE 49 HA PHE 49 8.539 0.437 1.617 419 HB2 PHE 49 2HB PHE 49 7.103 2.923 2.601 420 HB3 PHE 49 3HB PHE 49 8.225 2.894 1.246 421 HD1 PHE 49 1HD PHE 49 7.617 0.651 -0.401 422 HD2 PHE 49 2HD PHE 49 4.894 3.138 1.832 423 HE1 PHE 49 1HE PHE 49 5.772 0.018 -1.936 424 HE2 PHE 49 2HE PHE 49 3.079 2.558 0.236 425 HZ PHE 49 HZ PHE 49 3.500 0.960 -1.603 426 H LYS 50 H LYS 50 8.576 1.957 4.865 427 HA LYS 50 HA LYS 50 11.273 2.946 4.710 428 HB2 LYS 50 2HB LYS 50 9.592 3.569 6.435 429 HB3 LYS 50 3HB LYS 50 9.719 1.952 7.141 430 HG2 LYS 50 2HG LYS 50 12.108 2.352 7.650 431 HG3 LYS 50 3HG LYS 50 12.015 3.946 6.874 432 HD2 LYS 50 2HD LYS 50 10.285 4.630 8.534 433 HD3 LYS 50 3HD LYS 50 10.437 3.069 9.344 434 HE2 LYS 50 2HE LYS 50 12.706 5.085 8.971 435 HE3 LYS 50 3HE LYS 50 11.698 4.977 10.416 436 HZ1 LYS 50 3HZ LYS 50 12.505 2.698 10.741 437 HZ2 LYS 50 1HZ LYS 50 13.749 3.750 10.724 438 HZ3 LYS 50 2HZ LYS 50 13.472 2.807 9.424 439 H ASN 51 H ASN 51 10.010 -0.250 5.698 440 HA ASN 51 HA ASN 51 12.542 -1.464 6.247 441 HB2 ASN 51 2HB ASN 51 10.207 -2.280 6.872 442 HB3 ASN 51 3HB ASN 51 10.003 -2.814 5.209 443 HD21 ASN 51 1HD2 ASN 51 11.601 -3.391 8.270 444 HD22 ASN 51 2HD2 ASN 51 12.231 -4.971 7.849 445 H ARG 52 H ARG 52 10.615 -1.312 3.202 446 HA ARG 52 HA ARG 52 12.441 -2.744 1.560 447 HB2 ARG 52 2HB ARG 52 9.950 -1.534 1.234 448 HB3 ARG 52 3HB ARG 52 10.962 -0.486 0.282 449 HG2 ARG 52 2HG ARG 52 9.945 -2.237 -1.074 450 HG3 ARG 52 3HG ARG 52 11.697 -2.407 -1.086 451 HD2 ARG 52 2HD ARG 52 10.369 -4.558 -0.909 452 HD3 ARG 52 3HD ARG 52 11.638 -4.347 0.279 453 HE ARG 52 HE ARG 52 8.698 -3.937 0.790 454 HH11 ARG 52 1HH1 ARG 52 11.798 -4.988 2.066 455 HH12 ARG 52 2HH1 ARG 52 11.173 -5.120 3.693 456 HH21 ARG 52 1HH2 ARG 52 7.949 -4.368 2.853 457 HH22 ARG 52 2HH2 ARG 52 9.036 -5.017 4.046 458 H ARG 53 H ARG 53 12.359 0.751 2.234 459 HA ARG 53 HA ARG 53 14.735 1.371 0.694 460 HB2 ARG 53 2HB ARG 53 13.279 2.834 2.930 461 HB3 ARG 53 3HB ARG 53 14.733 3.472 2.141 462 HG2 ARG 53 2HG ARG 53 13.642 3.378 -0.058 463 HG3 ARG 53 3HG ARG 53 12.179 2.698 0.663 464 HD2 ARG 53 2HD ARG 53 11.765 5.026 0.304 465 HD3 ARG 53 3HD ARG 53 11.930 4.773 2.037 466 HE ARG 53 HE ARG 53 13.847 6.080 2.065 467 HH11 ARG 53 1HH2 ARG 53 13.175 5.432 -1.334 468 HH12 ARG 53 2HH2 ARG 53 14.268 6.674 -1.858 469 HH21 ARG 53 1HH1 ARG 53 15.242 7.608 1.296 470 HH22 ARG 53 2HH1 ARG 53 15.409 7.859 -0.414 471 H ALA 54 H ALA 54 14.374 0.401 4.136 472 HA ALA 54 HA ALA 54 17.183 0.681 4.703 473 HB1 ALA 54 1HB ALA 54 16.689 -0.647 6.685 474 HB2 ALA 54 2HB ALA 54 15.447 0.600 6.444 475 HB3 ALA 54 3HB ALA 54 15.101 -1.098 6.029 476 H LYS 55 H LYS 55 15.307 -2.085 3.394 477 HA LYS 55 HA LYS 55 17.570 -3.911 3.289 478 HB2 LYS 55 2HB LYS 55 14.781 -3.828 2.154 479 HB3 LYS 55 3HB LYS 55 15.952 -4.850 1.339 480 HG2 LYS 55 2HG LYS 55 14.713 -6.143 2.950 481 HG3 LYS 55 3HG LYS 55 16.426 -6.098 3.364 482 HD2 LYS 55 2HD LYS 55 15.979 -4.415 5.124 483 HD3 LYS 55 3HD LYS 55 14.265 -4.416 4.709 484 HE2 LYS 55 2HE LYS 55 15.790 -6.876 5.662 485 HE3 LYS 55 3HE LYS 55 14.921 -5.778 6.734 486 HZ1 LYS 55 3HZ LYS 55 13.514 -7.635 6.153 487 HZ2 LYS 55 1HZ LYS 55 13.676 -7.367 4.556 488 HZ3 LYS 55 2HZ LYS 55 12.876 -6.279 5.491 489 H TRP 56 H TRP 56 16.437 -1.410 1.065 490 HA TRP 56 HA TRP 56 18.446 -1.966 -0.974 491 HB2 TRP 56 2HB TRP 56 16.436 -0.838 -1.595 492 HB3 TRP 56 3HB TRP 56 16.634 0.373 -0.344 493 HD1 TRP 56 1HD TRP 56 18.996 -0.708 -3.233 494 HE1 TRP 56 1HE TRP 56 19.772 1.393 -4.484 495 HE3 TRP 56 3HE TRP 56 16.406 2.832 -0.571 496 HZ2 TRP 56 2HZ TRP 56 19.364 4.245 -4.325 497 HZ3 TRP 56 3HZ TRP 56 16.635 5.237 -1.140 498 HH2 TRP 56 2HH TRP 56 18.106 5.956 -3.008 499 H ARG 57 H ARG 57 18.320 0.277 1.806 500 HA ARG 57 HA ARG 57 21.242 0.903 1.500 501 HB2 ARG 57 2HB ARG 57 18.985 2.594 2.635 502 HB3 ARG 57 3HB ARG 57 20.686 3.054 2.632 503 HG2 ARG 57 2HG ARG 57 19.011 2.585 0.151 504 HG3 ARG 57 3HG ARG 57 19.297 4.151 0.893 505 HD2 ARG 57 2HD ARG 57 20.780 4.056 -0.932 506 HD3 ARG 57 3HD ARG 57 21.767 3.798 0.515 507 HE ARG 57 HE ARG 57 20.779 1.368 -0.859 508 HH11 ARG 57 1HH2 ARG 57 23.611 3.481 -0.532 509 HH12 ARG 57 2HH2 ARG 57 24.659 2.086 -0.844 510 HH21 ARG 57 1HH1 ARG 57 22.258 -0.213 -1.131 511 HH22 ARG 57 2HH1 ARG 57 23.981 0.210 -1.154 512 H LYS 58 H LYS 58 21.252 -1.251 2.604 513 HA LYS 58 HA LYS 58 20.951 -1.519 5.434 514 HB2 LYS 58 2HB LYS 58 22.789 -2.890 3.429 515 HB3 LYS 58 3HB LYS 58 22.623 -3.394 5.115 516 HG2 LYS 58 2HG LYS 58 20.285 -3.937 4.819 517 HG3 LYS 58 3HG LYS 58 20.287 -3.292 3.166 518 HD2 LYS 58 2HD LYS 58 21.893 -4.967 2.435 519 HD3 LYS 58 3HD LYS 58 22.054 -5.615 4.069 520 HE2 LYS 58 2HE LYS 58 19.417 -5.563 2.533 521 HE3 LYS 58 3HE LYS 58 20.567 -6.897 2.420 522 HZ1 LYS 58 3HZ LYS 58 20.361 -7.236 4.812 523 HZ2 LYS 58 1HZ LYS 58 18.902 -7.364 4.104 524 HZ3 LYS 58 2HZ LYS 58 19.284 -6.016 4.953 525 H ARG 59 H ARG 59 21.680 0.541 6.180 526 HA ARG 59 HA ARG 59 23.100 2.078 7.101 527 HB2 ARG 59 2HB ARG 59 24.824 -0.352 7.701 528 HB3 ARG 59 3HB ARG 59 24.950 1.234 8.471 529 HG2 ARG 59 2HG ARG 59 22.597 1.009 9.290 530 HG3 ARG 59 3HG ARG 59 22.546 -0.640 8.648 531 HD2 ARG 59 2HD ARG 59 24.517 0.385 10.734 532 HD3 ARG 59 3HD ARG 59 23.042 -0.531 11.085 533 HE ARG 59 HE ARG 59 24.483 -2.096 9.258 534 HH11 ARG 59 1HH2 ARG 59 25.028 -0.956 12.525 535 HH12 ARG 59 2HH2 ARG 59 26.054 -2.308 12.924 536 HH21 ARG 59 1HH1 ARG 59 25.805 -3.790 9.829 537 HH22 ARG 59 2HH1 ARG 59 26.473 -3.869 11.432 538 H GLU 60 H GLU 60 23.219 2.206 4.477 539 HA GLU 60 HA GLU 60 26.039 2.940 3.861 540 HB2 GLU 60 2HB GLU 60 25.413 0.657 2.938 541 HB3 GLU 60 3HB GLU 60 24.233 1.468 1.907 542 HG2 GLU 60 2HG GLU 60 26.072 2.761 0.843 543 HG3 GLU 60 3HG GLU 60 27.237 2.035 1.952 544 H GLU 61 H GLU 61 26.302 4.610 2.361 545 HA GLU 61 HA GLU 61 24.465 6.763 2.628 546 HB2 GLU 61 2HB GLU 61 26.927 6.374 0.865 547 HB3 GLU 61 3HB GLU 61 26.083 7.898 1.055 548 HG2 GLU 61 2HG GLU 61 27.960 7.991 2.476 549 HG3 GLU 61 3HG GLU 61 26.514 7.907 3.475 550 H PHE 62 H PHE 62 23.892 8.216 0.689 551 HA PHE 62 HA PHE 62 21.929 6.947 -0.943 552 HB2 PHE 62 2HB PHE 62 21.777 9.182 -2.020 553 HB3 PHE 62 3HB PHE 62 21.697 9.230 -0.270 554 HD1 PHE 62 1HD PHE 62 23.869 9.982 -3.214 555 HD2 PHE 62 2HD PHE 62 23.355 10.409 1.050 556 HE1 PHE 62 1HE PHE 62 25.736 11.608 -3.150 557 HE2 PHE 62 2HE PHE 62 25.229 12.035 1.107 558 HZ PHE 62 HZ PHE 62 26.426 12.634 -0.990 559 H ILE 63 H ILE 63 25.292 7.479 -1.534 560 HA ILE 63 HA ILE 63 26.762 7.182 -3.147 561 HB ILE 63 HB ILE 63 26.802 5.007 -4.233 562 HG12 ILE 63 2HG1 ILE 63 24.102 4.437 -2.951 563 HG13 ILE 63 3HG1 ILE 63 24.324 4.809 -4.664 564 HG21 ILE 63 1HG2 ILE 63 27.055 3.739 -2.193 565 HG22 ILE 63 2HG2 ILE 63 27.577 5.398 -1.903 566 HG23 ILE 63 3HG2 ILE 63 25.999 4.849 -1.306 567 HD11 ILE 63 3HD1 ILE 63 24.162 2.412 -4.370 568 HD12 ILE 63 1HD1 ILE 63 25.808 2.821 -4.895 569 HD13 ILE 63 2HD1 ILE 63 25.484 2.407 -3.194 570 H VAL 64 H VAL 64 23.729 7.846 -4.561 571 HA VAL 64 HA VAL 64 24.601 7.859 -7.306 572 HB VAL 64 HB VAL 64 22.263 7.681 -6.629 573 HG11 VAL 64 1HG1 VAL 64 22.399 10.636 -5.904 574 HG12 VAL 64 2HG1 VAL 64 20.937 9.637 -5.994 575 HG13 VAL 64 3HG1 VAL 64 22.158 9.288 -4.768 576 HG21 VAL 64 3HG2 VAL 64 22.705 10.121 -8.384 577 HG22 VAL 64 1HG2 VAL 64 22.869 8.429 -8.913 578 HG23 VAL 64 2HG2 VAL 64 21.301 9.042 -8.365 579 H THR 65 H THR 65 25.248 9.544 -8.657 580 HA THR 65 HA THR 65 26.923 11.564 -7.389 581 HB THR 65 HB THR 65 27.504 12.126 -9.783 582 HG1 THR 65 1HG THR 65 26.835 10.646 -11.338 583 HG21 THR 65 1HG2 THR 65 28.822 10.092 -10.142 584 HG22 THR 65 2HG2 THR 65 27.823 9.200 -8.973 585 HG23 THR 65 3HG2 THR 65 28.851 10.545 -8.431 586 H ASP 66 H ASP 66 26.954 13.792 -7.908 587 HA ASP 66 HA ASP 66 24.493 15.094 -8.909 588 HB2 ASP 66 2HB ASP 66 24.114 14.814 -6.493 589 HB3 ASP 66 3HB ASP 66 25.660 15.578 -6.140 Start of MODEL 18 1 H1 GLY -1 1H GLY -1 -20.693 4.091 23.617 2 H2 GLY -1 2H GLY -1 -19.310 3.490 22.976 3 H3 GLY -1 3H GLY -1 -19.788 3.029 24.474 4 HA2 GLY -1 2HA GLY -1 -21.731 1.919 23.587 5 HA3 GLY -1 3HA GLY -1 -21.229 2.435 21.968 6 H SER 0 H SER 0 -21.363 -0.211 23.816 7 HA SER 0 HA SER 0 -18.803 -1.377 23.868 8 HB2 SER 0 2HB SER 0 -21.492 -2.768 23.575 9 HB3 SER 0 3HB SER 0 -19.979 -3.505 24.139 10 HG SER 0 HG SER 0 -21.336 -2.843 25.881 11 H GLN 1 H GLN 1 -17.546 -2.444 22.464 12 HA GLN 1 HA GLN 1 -18.416 -3.279 19.783 13 HB2 GLN 1 2HB GLN 1 -17.012 -1.660 18.606 14 HB3 GLN 1 3HB GLN 1 -18.211 -0.829 19.584 15 HG2 GLN 1 2HG GLN 1 -16.384 -0.525 21.373 16 HG3 GLN 1 3HG GLN 1 -15.234 -1.132 20.178 17 HE21 GLN 1 1HE2 GLN 1 -17.603 1.466 20.863 18 HE22 GLN 1 2HE2 GLN 1 -16.871 2.627 19.751 19 H ARG 2 H ARG 2 -16.431 -3.903 18.435 20 HA ARG 2 HA ARG 2 -13.992 -4.529 19.916 21 HB2 ARG 2 2HB ARG 2 -15.777 -6.535 19.998 22 HB3 ARG 2 3HB ARG 2 -15.228 -6.831 18.364 23 HG2 ARG 2 2HG ARG 2 -14.086 -8.228 20.046 24 HG3 ARG 2 3HG ARG 2 -12.941 -7.229 19.157 25 HD2 ARG 2 2HD ARG 2 -12.528 -7.428 21.660 26 HD3 ARG 2 3HD ARG 2 -12.568 -5.796 21.024 27 HE ARG 2 HE ARG 2 -14.681 -5.381 22.029 28 HH11 ARG 2 1HH1 ARG 2 -13.620 -8.614 22.905 29 HH12 ARG 2 2HH1 ARG 2 -14.794 -8.728 24.189 30 HH21 ARG 2 1HH2 ARG 2 -16.096 -5.584 23.640 31 HH22 ARG 2 2HH2 ARG 2 -16.167 -7.038 24.602 32 H ARG 3 H ARG 3 -12.181 -4.879 18.622 33 HA ARG 3 HA ARG 3 -12.398 -4.362 15.687 34 HB2 ARG 3 2HB ARG 3 -10.518 -2.869 17.568 35 HB3 ARG 3 3HB ARG 3 -10.630 -2.682 15.815 36 HG2 ARG 3 2HG ARG 3 -12.992 -1.846 16.096 37 HG3 ARG 3 3HG ARG 3 -12.775 -1.940 17.857 38 HD2 ARG 3 2HD ARG 3 -10.800 -0.393 17.637 39 HD3 ARG 3 3HD ARG 3 -11.208 -0.205 15.919 40 HE ARG 3 HE ARG 3 -13.470 0.347 17.684 41 HH11 ARG 3 1HH1 ARG 3 -10.612 1.898 16.358 42 HH12 ARG 3 2HH1 ARG 3 -11.275 3.492 16.603 43 HH21 ARG 3 1HH2 ARG 3 -14.207 2.327 18.003 44 HH22 ARG 3 2HH2 ARG 3 -13.291 3.741 17.507 45 H GLN 4 H GLN 4 -10.714 -5.209 14.448 46 HA GLN 4 HA GLN 4 -8.564 -6.771 15.728 47 HB2 GLN 4 2HB GLN 4 -10.638 -8.211 15.753 48 HB3 GLN 4 3HB GLN 4 -10.719 -8.077 14.003 49 HG2 GLN 4 2HG GLN 4 -9.766 -10.218 14.660 50 HG3 GLN 4 3HG GLN 4 -8.564 -9.283 13.795 51 HE21 GLN 4 1HE2 GLN 4 -6.518 -9.592 14.738 52 HE22 GLN 4 2HE2 GLN 4 -6.276 -9.748 16.475 53 H ARG 5 H ARG 5 -6.882 -7.283 14.386 54 HA ARG 5 HA ARG 5 -7.050 -6.789 11.454 55 HB2 ARG 5 2HB ARG 5 -4.952 -5.754 13.405 56 HB3 ARG 5 3HB ARG 5 -4.511 -6.102 11.744 57 HG2 ARG 5 2HG ARG 5 -6.618 -4.077 12.601 58 HG3 ARG 5 3HG ARG 5 -4.979 -3.749 12.021 59 HD2 ARG 5 2HD ARG 5 -5.732 -5.151 9.914 60 HD3 ARG 5 3HD ARG 5 -7.371 -4.777 10.481 61 HE ARG 5 HE ARG 5 -5.845 -2.359 10.378 62 HH11 ARG 5 1HH1 ARG 5 -7.320 -4.646 8.140 63 HH12 ARG 5 2HH1 ARG 5 -7.217 -3.502 6.815 64 HH21 ARG 5 1HH2 ARG 5 -5.757 -0.999 8.589 65 HH22 ARG 5 2HH2 ARG 5 -6.462 -1.567 7.074 66 H THR 6 H THR 6 -5.412 -7.900 10.227 67 HA THR 6 HA THR 6 -4.515 -10.501 11.394 68 HB THR 6 HB THR 6 -5.231 -11.551 9.224 69 HG1 THR 6 1HG THR 6 -6.747 -10.424 7.999 70 HG21 THR 6 1HG2 THR 6 -7.578 -11.774 9.798 71 HG22 THR 6 2HG2 THR 6 -7.532 -10.297 10.783 72 HG23 THR 6 3HG2 THR 6 -6.622 -11.738 11.288 73 H HIS 7 H HIS 7 -2.985 -11.673 9.962 74 HA HIS 7 HA HIS 7 -0.779 -9.965 9.173 75 HB2 HIS 7 2HB HIS 7 0.428 -11.983 8.813 76 HB3 HIS 7 3HB HIS 7 -0.506 -12.159 10.288 77 HD2 HIS 7 2HD HIS 7 -2.373 -14.094 10.341 78 HE1 HIS 7 1HE HIS 7 -1.700 -15.629 6.415 79 HE2 HIS 7 2HE HIS 7 -2.911 -16.028 8.627 80 H PHE 8 H PHE 8 0.395 -10.527 7.007 81 HA PHE 8 HA PHE 8 -1.337 -9.253 5.050 82 HB2 PHE 8 2HB PHE 8 1.555 -10.126 4.752 83 HB3 PHE 8 3HB PHE 8 0.662 -9.038 3.710 84 HD1 PHE 8 1HD PHE 8 2.165 -9.377 7.115 85 HD2 PHE 8 2HD PHE 8 0.582 -6.695 4.128 86 HE1 PHE 8 1HE PHE 8 3.101 -7.446 8.352 87 HE2 PHE 8 2HE PHE 8 1.591 -4.771 5.338 88 HZ PHE 8 HZ PHE 8 2.847 -5.143 7.451 89 H THR 9 H THR 9 -1.792 -9.900 2.940 90 HA THR 9 HA THR 9 -1.341 -12.783 2.233 91 HB THR 9 HB THR 9 -3.698 -12.368 2.500 92 HG1 THR 9 1HG THR 9 -4.275 -13.202 0.542 93 HG21 THR 9 1HG2 THR 9 -3.403 -10.280 0.298 94 HG22 THR 9 2HG2 THR 9 -3.949 -10.008 1.971 95 HG23 THR 9 3HG2 THR 9 -4.940 -10.962 0.868 96 H SER 10 H SER 10 -0.879 -13.274 0.002 97 HA SER 10 HA SER 10 1.276 -11.705 -1.012 98 HB2 SER 10 2HB SER 10 1.242 -13.283 -2.903 99 HB3 SER 10 3HB SER 10 1.144 -14.107 -1.337 100 HG SER 10 HG SER 10 -0.379 -14.942 -2.841 101 H GLN 11 H GLN 11 -2.147 -11.517 -1.700 102 HA GLN 11 HA GLN 11 -1.977 -9.990 -4.152 103 HB2 GLN 11 2HB GLN 11 -4.179 -10.237 -2.071 104 HB3 GLN 11 3HB GLN 11 -4.342 -9.422 -3.636 105 HG2 GLN 11 2HG GLN 11 -3.747 -11.536 -4.804 106 HG3 GLN 11 3HG GLN 11 -3.643 -12.370 -3.253 107 HE21 GLN 11 1HE2 GLN 11 -5.317 -13.623 -4.831 108 HE22 GLN 11 2HE2 GLN 11 -6.992 -13.217 -4.483 109 H GLN 12 H GLN 12 -1.599 -9.089 -0.775 110 HA GLN 12 HA GLN 12 -1.787 -6.184 -1.312 111 HB2 GLN 12 2HB GLN 12 -0.938 -7.750 1.155 112 HB3 GLN 12 3HB GLN 12 -1.095 -5.997 1.071 113 HG2 GLN 12 2HG GLN 12 -3.467 -6.105 0.734 114 HG3 GLN 12 3HG GLN 12 -3.451 -7.837 0.464 115 HE21 GLN 12 1HE2 GLN 12 -4.792 -6.026 2.587 116 HE22 GLN 12 2HE2 GLN 12 -4.410 -6.908 4.064 117 H LEU 13 H LEU 13 0.746 -8.625 -0.521 118 HA LEU 13 HA LEU 13 2.958 -6.850 -0.630 119 HB2 LEU 13 2HB LEU 13 2.647 -9.846 -0.991 120 HB3 LEU 13 3HB LEU 13 4.184 -9.091 -1.333 121 HG LEU 13 HG LEU 13 4.213 -10.038 0.860 122 HD11 LEU 13 1HD1 LEU 13 5.501 -7.941 0.432 123 HD12 LEU 13 2HD1 LEU 13 5.064 -8.193 2.134 124 HD13 LEU 13 3HD1 LEU 13 4.162 -7.015 1.163 125 HD21 LEU 13 3HD2 LEU 13 2.000 -8.108 1.651 126 HD22 LEU 13 1HD2 LEU 13 2.898 -9.204 2.718 127 HD23 LEU 13 2HD2 LEU 13 1.840 -9.874 1.468 128 H GLN 14 H GLN 14 1.513 -8.756 -3.345 129 HA GLN 14 HA GLN 14 3.526 -7.873 -5.192 130 HB2 GLN 14 2HB GLN 14 2.219 -8.852 -6.903 131 HB3 GLN 14 3HB GLN 14 2.116 -9.881 -5.474 132 HG2 GLN 14 2HG GLN 14 -0.136 -8.733 -4.991 133 HG3 GLN 14 3HG GLN 14 -0.012 -8.004 -6.593 134 HE21 GLN 14 1HE2 GLN 14 0.068 -11.193 -4.928 135 HE22 GLN 14 2HE2 GLN 14 -0.657 -12.081 -6.275 136 H GLU 15 H GLU 15 0.429 -6.369 -4.265 137 HA GLU 15 HA GLU 15 0.605 -4.295 -6.303 138 HB2 GLU 15 2HB GLU 15 -1.531 -4.999 -5.232 139 HB3 GLU 15 3HB GLU 15 -0.972 -4.317 -3.705 140 HG2 GLU 15 2HG GLU 15 -2.502 -2.782 -4.853 141 HG3 GLU 15 3HG GLU 15 -0.910 -2.064 -4.680 142 H LEU 16 H LEU 16 1.684 -4.550 -2.892 143 HA LEU 16 HA LEU 16 2.701 -1.867 -2.689 144 HB2 LEU 16 2HB LEU 16 3.361 -4.477 -1.280 145 HB3 LEU 16 3HB LEU 16 4.152 -2.963 -0.875 146 HG LEU 16 HG LEU 16 1.129 -3.236 -0.776 147 HD11 LEU 16 1HD1 LEU 16 2.154 -4.894 0.752 148 HD12 LEU 16 2HD1 LEU 16 1.367 -3.580 1.639 149 HD13 LEU 16 3HD1 LEU 16 3.133 -3.604 1.484 150 HD21 LEU 16 3HD2 LEU 16 1.307 -1.312 0.750 151 HD22 LEU 16 1HD2 LEU 16 2.021 -0.920 -0.821 152 HD23 LEU 16 2HD2 LEU 16 3.073 -1.298 0.557 153 H GLU 17 H GLU 17 4.339 -4.926 -3.741 154 HA GLU 17 HA GLU 17 6.788 -3.486 -4.387 155 HB2 GLU 17 2HB GLU 17 5.854 -6.289 -5.094 156 HB3 GLU 17 3HB GLU 17 7.412 -5.603 -5.577 157 HG2 GLU 17 2HG GLU 17 7.718 -5.012 -3.063 158 HG3 GLU 17 3HG GLU 17 6.435 -6.186 -2.767 159 H ALA 18 H ALA 18 3.896 -4.255 -6.328 160 HA ALA 18 HA ALA 18 4.989 -3.290 -8.808 161 HB1 ALA 18 1HB ALA 18 2.632 -3.079 -9.491 162 HB2 ALA 18 2HB ALA 18 2.943 -4.643 -8.718 163 HB3 ALA 18 3HB ALA 18 2.108 -3.352 -7.819 164 H THR 19 H THR 19 3.185 -1.578 -6.150 165 HA THR 19 HA THR 19 3.332 0.896 -7.572 166 HB THR 19 HB THR 19 1.690 0.165 -5.708 167 HG1 THR 19 1HG THR 19 2.583 2.842 -5.861 168 HG21 THR 19 1HG2 THR 19 3.363 0.155 -3.832 169 HG22 THR 19 2HG2 THR 19 1.982 1.224 -3.591 170 HG23 THR 19 3HG2 THR 19 3.551 1.910 -4.065 171 H PHE 20 H PHE 20 5.522 -0.548 -5.204 172 HA PHE 20 HA PHE 20 7.325 1.644 -4.870 173 HB2 PHE 20 2HB PHE 20 7.313 -0.373 -3.494 174 HB3 PHE 20 3HB PHE 20 7.684 -1.376 -4.885 175 HD1 PHE 20 2HD PHE 20 9.093 1.313 -2.682 176 HD2 PHE 20 1HD PHE 20 9.926 -1.851 -5.491 177 HE1 PHE 20 2HE PHE 20 11.506 1.449 -2.120 178 HE2 PHE 20 1HE PHE 20 12.340 -1.713 -4.923 179 HZ PHE 20 HZ PHE 20 13.133 -0.065 -3.236 180 H GLN 21 H GLN 21 6.933 -0.638 -7.569 181 HA GLN 21 HA GLN 21 9.275 0.416 -9.026 182 HB2 GLN 21 2HB GLN 21 7.094 -1.570 -9.766 183 HB3 GLN 21 3HB GLN 21 8.431 -1.116 -10.826 184 HG2 GLN 21 2HG GLN 21 10.075 -2.010 -9.274 185 HG3 GLN 21 3HG GLN 21 8.839 -2.311 -8.050 186 HE21 GLN 21 1HE2 GLN 21 7.372 -4.043 -8.306 187 HE22 GLN 21 2HE2 GLN 21 7.672 -5.335 -9.483 188 H ARG 22 H ARG 22 5.736 0.744 -9.147 189 HA ARG 22 HA ARG 22 5.403 2.360 -11.451 190 HB2 ARG 22 2HB ARG 22 3.675 1.169 -10.017 191 HB3 ARG 22 3HB ARG 22 3.855 2.479 -8.838 192 HG2 ARG 22 2HG ARG 22 3.033 4.099 -10.514 193 HG3 ARG 22 3HG ARG 22 2.794 2.772 -11.668 194 HD2 ARG 22 2HD ARG 22 1.498 2.972 -8.904 195 HD3 ARG 22 3HD ARG 22 0.716 3.444 -10.410 196 HE ARG 22 HE ARG 22 1.000 1.046 -11.162 197 HH11 ARG 22 1HH1 ARG 22 0.757 1.572 -7.626 198 HH12 ARG 22 2HH1 ARG 22 -0.066 0.017 -7.491 199 HH21 ARG 22 1HH2 ARG 22 0.008 -0.931 -10.652 200 HH22 ARG 22 2HH2 ARG 22 -0.396 -1.224 -8.957 201 H ASN 23 H ASN 23 6.063 3.336 -8.088 202 HA ASN 23 HA ASN 23 7.475 5.730 -9.068 203 HB2 ASN 23 2HB ASN 23 5.172 6.540 -8.621 204 HB3 ASN 23 3HB ASN 23 5.245 5.876 -6.986 205 HD21 ASN 23 1HD2 ASN 23 4.628 8.371 -6.809 206 HD22 ASN 23 2HD2 ASN 23 6.030 9.377 -6.454 207 H ARG 24 H ARG 24 9.440 5.606 -8.185 208 HA ARG 24 HA ARG 24 10.068 3.928 -5.883 209 HB2 ARG 24 2HB ARG 24 11.742 5.883 -7.507 210 HB3 ARG 24 3HB ARG 24 12.376 4.866 -6.206 211 HG2 ARG 24 2HG ARG 24 11.663 2.827 -7.420 212 HG3 ARG 24 3HG ARG 24 11.044 3.828 -8.748 213 HD2 ARG 24 2HD ARG 24 13.313 4.758 -9.106 214 HD3 ARG 24 3HD ARG 24 13.934 3.734 -7.792 215 HE ARG 24 HE ARG 24 12.614 2.045 -9.646 216 HH11 ARG 24 1HH1 ARG 24 15.506 4.024 -9.617 217 HH12 ARG 24 2HH1 ARG 24 16.306 3.034 -10.808 218 HH21 ARG 24 1HH2 ARG 24 13.693 0.824 -11.160 219 HH22 ARG 24 2HH2 ARG 24 15.300 1.270 -11.651 220 H TYR 25 H TYR 25 9.047 7.191 -6.125 221 HA TYR 25 HA TYR 25 9.730 7.702 -3.261 222 HB2 TYR 25 2HB TYR 25 10.061 9.629 -5.580 223 HB3 TYR 25 3HB TYR 25 10.263 10.022 -3.875 224 HD1 TYR 25 1HD TYR 25 12.163 9.091 -2.562 225 HD2 TYR 25 2HD TYR 25 11.765 8.364 -6.796 226 HE1 TYR 25 1HE TYR 25 14.536 8.342 -2.654 227 HE2 TYR 25 2HE TYR 25 14.145 7.617 -6.887 228 HH TYR 25 HH TYR 25 16.235 7.557 -3.975 229 HA PRO 26 HA PRO 26 5.152 8.368 -4.100 230 HB2 PRO 26 2HB PRO 26 4.215 6.862 -2.004 231 HB3 PRO 26 3HB PRO 26 4.611 6.181 -3.615 232 HG2 PRO 26 2HG PRO 26 6.312 6.211 -1.111 233 HG3 PRO 26 3HG PRO 26 5.983 4.842 -2.218 234 HD2 PRO 26 2HD PRO 26 8.250 6.345 -2.377 235 HD3 PRO 26 3HD PRO 26 7.461 5.676 -3.836 236 H ASP 27 H ASP 27 3.710 9.671 -2.879 237 HA ASP 27 HA ASP 27 4.886 11.212 -0.623 238 HB2 ASP 27 2HB ASP 27 2.436 11.638 -2.378 239 HB3 ASP 27 3HB ASP 27 2.859 12.656 -1.008 240 H MET 28 H MET 28 3.172 11.829 1.080 241 HA MET 28 HA MET 28 2.228 9.569 2.531 242 HB2 MET 28 2HB MET 28 1.409 12.509 2.650 243 HB3 MET 28 3HB MET 28 0.916 11.284 3.810 244 HG2 MET 28 2HG MET 28 2.732 12.537 4.734 245 HG3 MET 28 3HG MET 28 3.223 10.874 4.469 246 HE1 MET 28 3HE MET 28 4.751 14.435 1.873 247 HE2 MET 28 1HE MET 28 3.150 13.727 1.609 248 HE3 MET 28 2HE MET 28 3.498 14.595 3.125 249 H SER 29 H SER 29 0.446 11.848 0.377 250 HA SER 29 HA SER 29 -2.098 10.611 0.517 251 HB2 SER 29 2HB SER 29 -0.861 12.038 -1.869 252 HB3 SER 29 3HB SER 29 -2.590 11.800 -1.545 253 HG SER 29 HG SER 29 -1.876 13.885 -0.900 254 H THR 30 H THR 30 0.722 9.815 -1.546 255 HA THR 30 HA THR 30 -0.617 7.873 -3.193 256 HB THR 30 HB THR 30 2.308 7.760 -2.437 257 HG1 THR 30 1HG THR 30 1.158 9.470 -4.368 258 HG21 THR 30 1HG2 THR 30 2.579 7.082 -4.813 259 HG22 THR 30 2HG2 THR 30 0.815 7.156 -5.022 260 HG23 THR 30 3HG2 THR 30 1.535 5.967 -3.914 261 H ARG 31 H ARG 31 1.341 7.561 -0.178 262 HA ARG 31 HA ARG 31 0.965 4.712 0.117 263 HB2 ARG 31 2HB ARG 31 1.466 6.920 2.170 264 HB3 ARG 31 3HB ARG 31 1.411 5.207 2.585 265 HG2 ARG 31 2HG ARG 31 3.306 4.731 1.087 266 HG3 ARG 31 3HG ARG 31 3.351 6.424 0.580 267 HD2 ARG 31 2HD ARG 31 3.707 7.051 3.035 268 HD3 ARG 31 3HD ARG 31 3.829 5.331 3.392 269 HE ARG 31 HE ARG 31 6.001 5.353 2.620 270 HH11 ARG 31 1HH1 ARG 31 4.441 8.114 1.120 271 HH12 ARG 31 2HH1 ARG 31 5.944 8.691 0.452 272 HH21 ARG 31 1HH2 ARG 31 7.900 6.280 1.869 273 HH22 ARG 31 2HH2 ARG 31 7.825 7.757 0.952 274 H GLU 32 H GLU 32 -1.042 7.449 1.266 275 HA GLU 32 HA GLU 32 -2.921 5.771 2.647 276 HB2 GLU 32 2HB GLU 32 -3.071 8.609 1.572 277 HB3 GLU 32 3HB GLU 32 -4.441 7.829 2.368 278 HG2 GLU 32 2HG GLU 32 -3.128 7.449 4.397 279 HG3 GLU 32 3HG GLU 32 -1.697 8.154 3.652 280 H GLU 33 H GLU 33 -3.000 6.955 -0.799 281 HA GLU 33 HA GLU 33 -5.577 5.681 -1.204 282 HB2 GLU 33 2HB GLU 33 -5.499 6.293 -3.400 283 HB3 GLU 33 3HB GLU 33 -4.643 7.588 -2.567 284 HG2 GLU 33 2HG GLU 33 -2.484 6.543 -3.278 285 HG3 GLU 33 3HG GLU 33 -3.391 5.348 -4.210 286 H ILE 34 H ILE 34 -2.207 4.437 -1.688 287 HA ILE 34 HA ILE 34 -3.286 1.914 -2.645 288 HB ILE 34 HB ILE 34 -1.140 0.994 -2.599 289 HG12 ILE 34 2HG1 ILE 34 0.878 2.428 -1.975 290 HG13 ILE 34 3HG1 ILE 34 -0.225 3.373 -0.991 291 HG21 ILE 34 1HG2 ILE 34 -0.046 2.439 -4.173 292 HG22 ILE 34 2HG2 ILE 34 -1.792 2.612 -4.398 293 HG23 ILE 34 3HG2 ILE 34 -0.872 3.866 -3.537 294 HD11 ILE 34 3HD1 ILE 34 1.160 1.422 0.060 295 HD12 ILE 34 1HD1 ILE 34 -0.528 1.606 0.543 296 HD13 ILE 34 2HD1 ILE 34 -0.070 0.364 -0.648 297 H ALA 35 H ALA 35 -2.724 3.175 0.599 298 HA ALA 35 HA ALA 35 -3.125 0.700 1.992 299 HB1 ALA 35 1HB ALA 35 -3.610 2.096 3.916 300 HB2 ALA 35 2HB ALA 35 -2.266 2.820 3.036 301 HB3 ALA 35 3HB ALA 35 -3.894 3.509 2.897 302 H VAL 36 H VAL 36 -5.446 3.131 0.720 303 HA VAL 36 HA VAL 36 -7.857 1.767 1.508 304 HB VAL 36 HB VAL 36 -7.231 3.725 -0.725 305 HG11 VAL 36 1HG1 VAL 36 -9.148 2.447 -1.535 306 HG12 VAL 36 2HG1 VAL 36 -9.976 2.670 0.027 307 HG13 VAL 36 3HG1 VAL 36 -9.628 4.063 -1.030 308 HG21 VAL 36 3HG2 VAL 36 -8.848 4.015 1.829 309 HG22 VAL 36 1HG2 VAL 36 -7.177 4.571 1.613 310 HG23 VAL 36 2HG2 VAL 36 -8.470 5.289 0.646 311 H TRP 37 H TRP 37 -5.879 1.505 -1.502 312 HA TRP 37 HA TRP 37 -7.568 -0.408 -2.776 313 HB2 TRP 37 2HB TRP 37 -4.589 0.046 -3.093 314 HB3 TRP 37 3HB TRP 37 -5.602 -0.851 -4.206 315 HD1 TRP 37 1HD TRP 37 -7.582 2.093 -3.408 316 HE1 TRP 37 1HE TRP 37 -7.259 3.977 -5.117 317 HE3 TRP 37 3HE TRP 37 -3.352 0.364 -5.722 318 HZ2 TRP 37 2HZ TRP 37 -5.360 4.690 -7.171 319 HZ3 TRP 37 3HZ TRP 37 -2.293 1.683 -7.541 320 HH2 TRP 37 2HH TRP 37 -3.279 3.845 -8.268 321 H THR 38 H THR 38 -4.799 -0.918 -0.594 322 HA THR 38 HA THR 38 -5.024 -3.869 -0.804 323 HB THR 38 HB THR 38 -2.998 -3.901 0.591 324 HG1 THR 38 1HG THR 38 -2.939 -1.102 0.288 325 HG21 THR 38 1HG2 THR 38 -1.427 -2.957 -1.005 326 HG22 THR 38 2HG2 THR 38 -2.719 -2.022 -1.786 327 HG23 THR 38 3HG2 THR 38 -2.739 -3.797 -1.850 328 H ASN 39 H ASN 39 -6.522 -1.585 1.057 329 HA ASN 39 HA ASN 39 -7.624 -1.438 2.945 330 HB2 ASN 39 2HB ASN 39 -8.692 -3.533 2.058 331 HB3 ASN 39 3HB ASN 39 -7.631 -4.472 3.108 332 HD21 ASN 39 1HD2 ASN 39 -10.093 -1.836 3.203 333 HD22 ASN 39 2HD2 ASN 39 -10.714 -2.313 4.775 334 H LEU 40 H LEU 40 -4.573 -1.701 3.045 335 HA LEU 40 HA LEU 40 -3.986 -2.486 5.811 336 HB2 LEU 40 2HB LEU 40 -2.476 -1.326 3.474 337 HB3 LEU 40 3HB LEU 40 -1.851 -1.019 5.079 338 HG LEU 40 HG LEU 40 -1.582 -3.339 5.585 339 HD11 LEU 40 1HD1 LEU 40 -3.444 -4.360 4.360 340 HD12 LEU 40 2HD1 LEU 40 -1.907 -5.106 3.906 341 HD13 LEU 40 3HD1 LEU 40 -2.677 -3.930 2.818 342 HD21 LEU 40 3HD2 LEU 40 0.123 -3.892 3.844 343 HD22 LEU 40 1HD2 LEU 40 0.241 -2.214 4.412 344 HD23 LEU 40 2HD2 LEU 40 -0.511 -2.577 2.841 345 H THR 41 H THR 41 -2.899 -0.908 7.251 346 HA THR 41 HA THR 41 -4.336 1.693 7.429 347 HB THR 41 HB THR 41 -2.465 0.385 9.440 348 HG1 THR 41 1HG THR 41 -4.413 -0.096 10.531 349 HG21 THR 41 1HG2 THR 41 -4.481 2.658 9.716 350 HG22 THR 41 2HG2 THR 41 -2.712 2.795 9.842 351 HG23 THR 41 3HG2 THR 41 -3.609 1.892 11.063 352 H GLU 42 H GLU 42 -3.126 3.705 7.375 353 HA GLU 42 HA GLU 42 -0.981 3.639 5.531 354 HB2 GLU 42 2HB GLU 42 -0.865 5.986 5.721 355 HB3 GLU 42 3HB GLU 42 -2.553 5.505 5.772 356 HG2 GLU 42 2HG GLU 42 -0.819 6.438 8.098 357 HG3 GLU 42 3HG GLU 42 -2.096 7.350 7.308 358 H ALA 43 H ALA 43 -0.773 3.754 9.085 359 HA ALA 43 HA ALA 43 2.061 4.234 9.167 360 HB1 ALA 43 1HB ALA 43 0.208 2.871 11.176 361 HB2 ALA 43 2HB ALA 43 1.847 3.472 11.509 362 HB3 ALA 43 3HB ALA 43 0.558 4.614 11.083 363 H ARG 44 H ARG 44 0.129 1.260 8.881 364 HA ARG 44 HA ARG 44 2.334 -0.629 9.098 365 HB2 ARG 44 2HB ARG 44 -0.017 -1.186 9.562 366 HB3 ARG 44 3HB ARG 44 -0.452 -0.881 7.880 367 HG2 ARG 44 2HG ARG 44 0.863 -2.778 7.119 368 HG3 ARG 44 3HG ARG 44 1.495 -3.050 8.763 369 HD2 ARG 44 2HD ARG 44 -0.739 -3.522 9.605 370 HD3 ARG 44 3HD ARG 44 -1.471 -3.103 8.045 371 HE ARG 44 HE ARG 44 0.327 -5.153 7.463 372 HH11 ARG 44 1HH2 ARG 44 -2.489 -4.948 9.575 373 HH12 ARG 44 2HH2 ARG 44 -2.810 -6.666 9.370 374 HH21 ARG 44 1HH1 ARG 44 -0.251 -7.297 7.267 375 HH22 ARG 44 2HH1 ARG 44 -1.689 -7.862 8.118 376 H VAL 45 H VAL 45 0.780 1.060 6.382 377 HA VAL 45 HA VAL 45 2.466 -0.029 4.300 378 HB VAL 45 HB VAL 45 0.914 2.577 4.496 379 HG11 VAL 45 1HG1 VAL 45 2.711 2.970 2.895 380 HG12 VAL 45 2HG1 VAL 45 2.373 1.408 2.103 381 HG13 VAL 45 3HG1 VAL 45 1.190 2.742 2.043 382 HG21 VAL 45 3HG2 VAL 45 -0.561 1.402 2.866 383 HG22 VAL 45 1HG2 VAL 45 0.439 -0.049 3.021 384 HG23 VAL 45 2HG2 VAL 45 -0.471 0.573 4.418 385 H ARG 46 H ARG 46 2.847 2.965 6.307 386 HA ARG 46 HA ARG 46 5.320 3.797 5.194 387 HB2 ARG 46 2HB ARG 46 3.802 5.074 6.741 388 HB3 ARG 46 3HB ARG 46 4.392 4.091 8.084 389 HG2 ARG 46 2HG ARG 46 6.716 4.912 7.628 390 HG3 ARG 46 3HG ARG 46 6.081 5.944 6.336 391 HD2 ARG 46 2HD ARG 46 5.265 6.059 9.272 392 HD3 ARG 46 3HD ARG 46 6.445 7.136 8.503 393 HE ARG 46 HE ARG 46 4.116 7.365 6.966 394 HH11 ARG 46 1HH2 ARG 46 4.987 8.104 10.278 395 HH12 ARG 46 2HH2 ARG 46 3.779 9.352 10.414 396 HH21 ARG 46 1HH1 ARG 46 2.579 8.958 7.217 397 HH22 ARG 46 2HH1 ARG 46 2.464 9.822 8.720 398 H VAL 47 H VAL 47 4.774 1.575 7.947 399 HA VAL 47 HA VAL 47 7.532 0.905 8.390 400 HB VAL 47 HB VAL 47 4.956 -0.587 8.982 401 HG11 VAL 47 1HG1 VAL 47 7.793 -1.328 9.829 402 HG12 VAL 47 2HG1 VAL 47 6.307 -2.001 10.534 403 HG13 VAL 47 3HG1 VAL 47 6.689 -2.315 8.843 404 HG21 VAL 47 3HG2 VAL 47 6.963 0.860 10.779 405 HG22 VAL 47 1HG2 VAL 47 5.411 1.534 10.251 406 HG23 VAL 47 2HG2 VAL 47 5.437 0.105 11.290 407 H TRP 48 H TRP 48 5.116 -0.596 6.141 408 HA TRP 48 HA TRP 48 6.873 -2.642 5.228 409 HB2 TRP 48 2HB TRP 48 4.449 -2.622 4.766 410 HB3 TRP 48 3HB TRP 48 4.667 -1.261 3.661 411 HD1 TRP 48 1HD TRP 48 5.279 -4.996 3.970 412 HE1 TRP 48 1HE TRP 48 6.099 -5.971 1.744 413 HE3 TRP 48 3HE TRP 48 5.809 -0.640 1.302 414 HZ2 TRP 48 2HZ TRP 48 7.025 -4.991 -0.792 415 HZ3 TRP 48 3HZ TRP 48 6.696 -0.699 -1.012 416 HH2 TRP 48 2HH TRP 48 7.314 -2.852 -2.070 417 H PHE 49 H PHE 49 6.420 0.692 3.887 418 HA PHE 49 HA PHE 49 8.376 0.350 1.813 419 HB2 PHE 49 2HB PHE 49 7.131 2.749 3.160 420 HB3 PHE 49 3HB PHE 49 8.498 2.964 2.080 421 HD1 PHE 49 1HD PHE 49 8.401 2.053 -0.301 422 HD2 PHE 49 2HD PHE 49 4.921 2.411 2.212 423 HE1 PHE 49 1HE PHE 49 6.929 2.011 -2.313 424 HE2 PHE 49 2HE PHE 49 3.465 2.322 0.206 425 HZ PHE 49 HZ PHE 49 4.467 2.133 -2.050 426 H LYS 50 H LYS 50 8.781 1.501 5.192 427 HA LYS 50 HA LYS 50 11.616 1.995 5.027 428 HB2 LYS 50 2HB LYS 50 9.794 1.192 7.333 429 HB3 LYS 50 3HB LYS 50 11.519 1.525 7.536 430 HG2 LYS 50 2HG LYS 50 11.265 3.810 6.773 431 HG3 LYS 50 3HG LYS 50 9.602 3.531 6.276 432 HD2 LYS 50 2HD LYS 50 9.625 4.763 8.373 433 HD3 LYS 50 3HD LYS 50 8.895 3.178 8.587 434 HE2 LYS 50 2HE LYS 50 10.264 3.621 10.501 435 HE3 LYS 50 3HE LYS 50 11.028 2.329 9.578 436 HZ1 LYS 50 3HZ LYS 50 11.841 5.193 9.511 437 HZ2 LYS 50 1HZ LYS 50 12.578 3.997 8.674 438 HZ3 LYS 50 2HZ LYS 50 12.634 4.011 10.303 439 H ASN 51 H ASN 51 9.848 -1.006 5.857 440 HA ASN 51 HA ASN 51 12.120 -2.665 6.281 441 HB2 ASN 51 2HB ASN 51 9.771 -3.087 6.993 442 HB3 ASN 51 3HB ASN 51 9.303 -3.343 5.316 443 HD21 ASN 51 1HD2 ASN 51 8.504 -5.342 6.562 444 HD22 ASN 51 2HD2 ASN 51 9.613 -6.702 6.560 445 H ARG 52 H ARG 52 10.191 -2.198 3.277 446 HA ARG 52 HA ARG 52 11.667 -3.908 1.567 447 HB2 ARG 52 2HB ARG 52 9.438 -3.004 1.062 448 HB3 ARG 52 3HB ARG 52 10.081 -1.372 0.986 449 HG2 ARG 52 2HG ARG 52 9.632 -2.157 -1.226 450 HG3 ARG 52 3HG ARG 52 11.359 -1.936 -1.061 451 HD2 ARG 52 2HD ARG 52 10.023 -4.663 -0.749 452 HD3 ARG 52 3HD ARG 52 10.503 -4.008 -2.323 453 HE ARG 52 HE ARG 52 12.741 -3.811 -0.593 454 HH11 ARG 52 1HH1 ARG 52 11.012 -6.405 -2.315 455 HH12 ARG 52 2HH1 ARG 52 12.440 -7.398 -2.295 456 HH21 ARG 52 1HH2 ARG 52 14.438 -5.133 -0.660 457 HH22 ARG 52 2HH2 ARG 52 14.324 -6.704 -1.406 458 H ARG 53 H ARG 53 12.227 -0.448 2.281 459 HA ARG 53 HA ARG 53 14.538 -0.242 0.494 460 HB2 ARG 53 2HB ARG 53 13.503 1.562 2.719 461 HB3 ARG 53 3HB ARG 53 14.860 1.967 1.654 462 HG2 ARG 53 2HG ARG 53 13.420 1.896 -0.323 463 HG3 ARG 53 3HG ARG 53 12.054 1.332 0.640 464 HD2 ARG 53 2HD ARG 53 12.340 3.483 2.032 465 HD3 ARG 53 3HD ARG 53 13.381 4.066 0.733 466 HE ARG 53 HE ARG 53 10.465 3.661 0.719 467 HH11 ARG 53 1HH2 ARG 53 13.195 4.319 -1.425 468 HH12 ARG 53 2HH2 ARG 53 12.110 4.872 -2.689 469 HH21 ARG 53 1HH1 ARG 53 9.228 4.356 -1.011 470 HH22 ARG 53 2HH1 ARG 53 10.060 4.851 -2.478 471 H ALA 54 H ALA 54 14.233 -0.651 4.054 472 HA ALA 54 HA ALA 54 16.965 -0.460 4.672 473 HB1 ALA 54 1HB ALA 54 14.792 -2.129 6.010 474 HB2 ALA 54 2HB ALA 54 16.356 -1.693 6.732 475 HB3 ALA 54 3HB ALA 54 15.183 -0.424 6.345 476 H LYS 55 H LYS 55 15.157 -3.397 3.652 477 HA LYS 55 HA LYS 55 17.341 -5.235 3.923 478 HB2 LYS 55 2HB LYS 55 14.761 -5.219 2.320 479 HB3 LYS 55 3HB LYS 55 15.933 -6.537 2.146 480 HG2 LYS 55 2HG LYS 55 15.861 -7.049 4.506 481 HG3 LYS 55 3HG LYS 55 14.811 -5.657 4.836 482 HD2 LYS 55 2HD LYS 55 12.962 -6.645 3.662 483 HD3 LYS 55 3HD LYS 55 13.989 -7.893 2.944 484 HE2 LYS 55 2HE LYS 55 12.609 -8.808 4.754 485 HE3 LYS 55 3HE LYS 55 14.334 -8.976 5.084 486 HZ1 LYS 55 3HZ LYS 55 13.025 -8.180 7.019 487 HZ2 LYS 55 1HZ LYS 55 12.648 -6.802 6.210 488 HZ3 LYS 55 2HZ LYS 55 14.199 -7.124 6.611 489 H TRP 56 H TRP 56 16.659 -2.983 1.303 490 HA TRP 56 HA TRP 56 18.766 -4.097 -0.439 491 HB2 TRP 56 2HB TRP 56 16.764 -3.066 -1.404 492 HB3 TRP 56 3HB TRP 56 17.122 -1.544 -0.598 493 HD1 TRP 56 1HD TRP 56 18.455 -3.833 -3.350 494 HE1 TRP 56 1HE TRP 56 19.899 -2.483 -5.001 495 HE3 TRP 56 3HE TRP 56 18.551 0.628 -0.858 496 HZ2 TRP 56 2HZ TRP 56 20.980 0.191 -5.186 497 HZ3 TRP 56 3HZ TRP 56 19.821 2.561 -1.777 498 HH2 TRP 56 2HH TRP 56 21.032 2.354 -3.935 499 H ARG 57 H ARG 57 18.318 -1.164 1.533 500 HA ARG 57 HA ARG 57 20.915 -0.010 1.209 501 HB2 ARG 57 2HB ARG 57 18.876 0.183 3.465 502 HB3 ARG 57 3HB ARG 57 20.330 1.183 3.374 503 HG2 ARG 57 2HG ARG 57 19.597 2.163 1.255 504 HG3 ARG 57 3HG ARG 57 18.144 1.145 1.257 505 HD2 ARG 57 2HD ARG 57 17.380 2.170 3.348 506 HD3 ARG 57 3HD ARG 57 18.831 3.197 3.390 507 HE ARG 57 HE ARG 57 17.655 3.672 0.898 508 HH11 ARG 57 1HH2 ARG 57 16.655 4.157 4.222 509 HH12 ARG 57 2HH2 ARG 57 15.638 5.510 3.814 510 HH21 ARG 57 1HH1 ARG 57 16.379 5.433 0.456 511 HH22 ARG 57 2HH1 ARG 57 15.499 6.216 1.736 512 H LYS 58 H LYS 58 19.951 -2.648 3.206 513 HA LYS 58 HA LYS 58 21.630 -2.987 5.271 514 HB2 LYS 58 2HB LYS 58 19.907 -4.569 4.377 515 HB3 LYS 58 3HB LYS 58 21.047 -5.081 3.130 516 HG2 LYS 58 2HG LYS 58 22.573 -5.917 4.937 517 HG3 LYS 58 3HG LYS 58 21.395 -5.385 6.140 518 HD2 LYS 58 2HD LYS 58 21.149 -7.735 5.841 519 HD3 LYS 58 3HD LYS 58 19.714 -6.982 5.156 520 HE2 LYS 58 2HE LYS 58 22.037 -7.532 3.302 521 HE3 LYS 58 3HE LYS 58 21.201 -8.934 3.954 522 HZ1 LYS 58 3HZ LYS 58 19.147 -8.164 3.003 523 HZ2 LYS 58 1HZ LYS 58 20.283 -8.230 1.831 524 HZ3 LYS 58 2HZ LYS 58 19.809 -6.779 2.433 525 H ARG 59 H ARG 59 22.663 -3.831 1.970 526 HA ARG 59 HA ARG 59 24.641 -4.437 1.039 527 HB2 ARG 59 2HB ARG 59 24.609 -1.849 1.464 528 HB3 ARG 59 3HB ARG 59 25.948 -2.190 2.558 529 HG2 ARG 59 2HG ARG 59 27.102 -3.360 0.558 530 HG3 ARG 59 3HG ARG 59 25.745 -2.816 -0.430 531 HD2 ARG 59 2HD ARG 59 27.528 -1.267 -0.753 532 HD3 ARG 59 3HD ARG 59 26.293 -0.446 0.218 533 HE ARG 59 HE ARG 59 28.218 -1.690 1.946 534 HH11 ARG 59 1HH2 ARG 59 28.043 1.060 -0.216 535 HH12 ARG 59 2HH2 ARG 59 29.281 1.935 0.646 536 HH21 ARG 59 1HH1 ARG 59 29.783 -0.518 3.006 537 HH22 ARG 59 2HH1 ARG 59 30.237 1.055 2.422 538 H GLU 60 H GLU 60 24.203 -5.922 3.515 539 HA GLU 60 HA GLU 60 26.966 -6.603 4.378 540 HB2 GLU 60 2HB GLU 60 24.260 -7.746 5.165 541 HB3 GLU 60 3HB GLU 60 25.816 -8.313 5.778 542 HG2 GLU 60 2HG GLU 60 26.295 -5.990 6.617 543 HG3 GLU 60 3HG GLU 60 24.650 -5.533 6.174 544 H GLU 61 H GLU 61 24.855 -7.496 1.854 545 HA GLU 61 HA GLU 61 25.901 -10.213 1.425 546 HB2 GLU 61 2HB GLU 61 24.092 -8.389 -0.205 547 HB3 GLU 61 3HB GLU 61 24.578 -10.013 -0.711 548 HG2 GLU 61 2HG GLU 61 23.523 -11.012 1.254 549 HG3 GLU 61 3HG GLU 61 23.123 -9.423 1.904 550 H PHE 62 H PHE 62 27.033 -10.814 -0.568 551 HA PHE 62 HA PHE 62 29.431 -9.332 -0.857 552 HB2 PHE 62 2HB PHE 62 29.319 -11.745 -1.147 553 HB3 PHE 62 3HB PHE 62 28.266 -11.569 -2.547 554 HD1 PHE 62 2HD PHE 62 31.722 -10.921 -1.272 555 HD2 PHE 62 1HD PHE 62 29.163 -11.116 -4.740 556 HE1 PHE 62 2HE PHE 62 33.709 -10.737 -2.755 557 HE2 PHE 62 1HE PHE 62 31.151 -10.932 -6.218 558 HZ PHE 62 HZ PHE 62 33.427 -10.737 -5.227 559 H ILE 63 H ILE 63 30.233 -7.961 -2.297 560 HA ILE 63 HA ILE 63 28.839 -7.294 -4.810 561 HB ILE 63 HB ILE 63 29.278 -4.877 -4.478 562 HG12 ILE 63 2HG1 ILE 63 29.687 -5.541 -1.526 563 HG13 ILE 63 3HG1 ILE 63 30.971 -5.072 -2.639 564 HG21 ILE 63 1HG2 ILE 63 27.246 -4.435 -3.254 565 HG22 ILE 63 2HG2 ILE 63 27.032 -5.937 -4.154 566 HG23 ILE 63 3HG2 ILE 63 27.349 -5.992 -2.407 567 HD11 ILE 63 3HD1 ILE 63 28.627 -3.337 -1.781 568 HD12 ILE 63 1HD1 ILE 63 30.332 -3.148 -1.349 569 HD13 ILE 63 2HD1 ILE 63 29.820 -2.889 -3.027 570 H VAL 64 H VAL 64 30.195 -6.477 -6.439 571 HA VAL 64 HA VAL 64 32.972 -7.412 -6.232 572 HB VAL 64 HB VAL 64 33.097 -6.975 -8.644 573 HG11 VAL 64 1HG1 VAL 64 30.628 -8.568 -7.841 574 HG12 VAL 64 2HG1 VAL 64 31.566 -8.735 -9.339 575 HG13 VAL 64 3HG1 VAL 64 32.308 -9.145 -7.784 576 HG21 VAL 64 3HG2 VAL 64 31.128 -6.366 -9.942 577 HG22 VAL 64 1HG2 VAL 64 30.161 -6.151 -8.473 578 HG23 VAL 64 2HG2 VAL 64 31.520 -5.057 -8.823 579 H THR 65 H THR 65 31.504 -4.394 -5.759 580 HA THR 65 HA THR 65 32.206 -2.242 -5.653 581 HB THR 65 HB THR 65 34.898 -3.314 -4.790 582 HG1 THR 65 1HG THR 65 33.966 -3.645 -2.793 583 HG21 THR 65 1HG2 THR 65 34.738 -1.472 -3.138 584 HG22 THR 65 2HG2 THR 65 33.153 -1.003 -3.792 585 HG23 THR 65 3HG2 THR 65 34.620 -0.821 -4.773 586 H ASP 66 H ASP 66 32.097 -2.810 -8.186 587 HA ASP 66 HA ASP 66 34.293 -1.292 -9.482 588 HB2 ASP 66 2HB ASP 66 34.887 -3.670 -9.715 589 HB3 ASP 66 3HB ASP 66 33.307 -4.018 -10.404 Start of MODEL 19 1 H1 GLY -1 1H GLY -1 -10.067 -23.968 24.356 2 H2 GLY -1 2H GLY -1 -9.554 -24.960 25.556 3 H3 GLY -1 3H GLY -1 -9.028 -25.189 24.020 4 HA2 GLY -1 2HA GLY -1 -8.421 -22.841 25.697 5 HA3 GLY -1 3HA GLY -1 -7.298 -24.170 25.352 6 H SER 0 H SER 0 -7.397 -21.165 24.691 7 HA SER 0 HA SER 0 -6.610 -21.360 21.822 8 HB2 SER 0 2HB SER 0 -8.487 -19.246 22.956 9 HB3 SER 0 3HB SER 0 -7.855 -19.303 21.304 10 HG SER 0 HG SER 0 -8.978 -21.277 21.002 11 H GLN 1 H GLN 1 -5.253 -19.652 21.093 12 HA GLN 1 HA GLN 1 -4.029 -17.855 23.119 13 HB2 GLN 1 2HB GLN 1 -2.533 -19.787 21.295 14 HB3 GLN 1 3HB GLN 1 -1.760 -18.438 22.117 15 HG2 GLN 1 2HG GLN 1 -3.158 -20.759 23.519 16 HG3 GLN 1 3HG GLN 1 -1.430 -20.609 23.267 17 HE21 GLN 1 1HE2 GLN 1 -2.237 -20.960 25.849 18 HE22 GLN 1 2HE2 GLN 1 -2.054 -19.448 26.729 19 H ARG 2 H ARG 2 -2.922 -16.052 22.240 20 HA ARG 2 HA ARG 2 -4.089 -14.982 19.757 21 HB2 ARG 2 2HB ARG 2 -2.087 -13.828 21.745 22 HB3 ARG 2 3HB ARG 2 -2.719 -12.969 20.335 23 HG2 ARG 2 2HG ARG 2 -5.031 -13.168 21.222 24 HG3 ARG 2 3HG ARG 2 -4.424 -14.069 22.616 25 HD2 ARG 2 2HD ARG 2 -4.790 -11.816 23.315 26 HD3 ARG 2 3HD ARG 2 -3.043 -12.108 23.277 27 HE ARG 2 HE ARG 2 -3.948 -10.976 20.778 28 HH11 ARG 2 1HH1 ARG 2 -3.315 -9.970 24.074 29 HH12 ARG 2 2HH1 ARG 2 -2.989 -8.322 23.606 30 HH21 ARG 2 1HH2 ARG 2 -3.511 -8.860 20.248 31 HH22 ARG 2 2HH2 ARG 2 -3.104 -7.717 21.496 32 H ARG 3 H ARG 3 -3.337 -15.569 17.863 33 HA ARG 3 HA ARG 3 -0.645 -16.663 17.530 34 HB2 ARG 3 2HB ARG 3 -1.372 -17.347 15.314 35 HB3 ARG 3 3HB ARG 3 -2.468 -17.847 16.578 36 HG2 ARG 3 2HG ARG 3 -3.836 -17.266 14.801 37 HG3 ARG 3 3HG ARG 3 -4.008 -15.935 15.935 38 HD2 ARG 3 2HD ARG 3 -2.556 -14.523 14.514 39 HD3 ARG 3 3HD ARG 3 -2.255 -15.899 13.437 40 HE ARG 3 HE ARG 3 -5.082 -15.334 13.778 41 HH11 ARG 3 1HH1 ARG 3 -2.313 -14.312 11.806 42 HH12 ARG 3 2HH1 ARG 3 -3.374 -13.559 10.653 43 HH21 ARG 3 1HH2 ARG 3 -6.297 -14.418 12.200 44 HH22 ARG 3 2HH2 ARG 3 -5.537 -13.665 10.831 45 H GLN 4 H GLN 4 0.829 -16.154 15.912 46 HA GLN 4 HA GLN 4 0.831 -13.319 14.956 47 HB2 GLN 4 2HB GLN 4 3.204 -13.207 15.302 48 HB3 GLN 4 3HB GLN 4 2.397 -13.638 16.806 49 HG2 GLN 4 2HG GLN 4 3.050 -16.020 16.492 50 HG3 GLN 4 3HG GLN 4 3.842 -15.606 14.966 51 HE21 GLN 4 1HE2 GLN 4 5.739 -14.060 15.091 52 HE22 GLN 4 2HE2 GLN 4 6.676 -14.061 16.579 53 H ARG 5 H ARG 5 0.372 -16.301 13.777 54 HA ARG 5 HA ARG 5 2.152 -16.381 11.496 55 HB2 ARG 5 2HB ARG 5 0.792 -18.222 10.715 56 HB3 ARG 5 3HB ARG 5 1.119 -18.426 12.428 57 HG2 ARG 5 2HG ARG 5 -1.113 -17.912 13.046 58 HG3 ARG 5 3HG ARG 5 -1.480 -17.137 11.499 59 HD2 ARG 5 2HD ARG 5 -1.357 -19.308 10.344 60 HD3 ARG 5 3HD ARG 5 -0.947 -20.101 11.868 61 HE ARG 5 HE ARG 5 -3.157 -20.034 12.517 62 HH11 ARG 5 1HH1 ARG 5 -2.920 -17.836 9.746 63 HH12 ARG 5 2HH1 ARG 5 -4.648 -17.652 9.684 64 HH21 ARG 5 1HH2 ARG 5 -5.330 -19.711 12.337 65 HH22 ARG 5 2HH2 ARG 5 -5.963 -18.668 11.100 66 H THR 6 H THR 6 1.394 -16.505 9.306 67 HA THR 6 HA THR 6 0.507 -15.810 7.383 68 HB THR 6 HB THR 6 -2.000 -15.055 8.890 69 HG1 THR 6 1HG THR 6 -1.187 -17.572 7.867 70 HG21 THR 6 1HG2 THR 6 -1.532 -16.068 6.053 71 HG22 THR 6 2HG2 THR 6 -2.065 -14.437 6.516 72 HG23 THR 6 3HG2 THR 6 -3.117 -15.828 6.823 73 H HIS 7 H HIS 7 -0.570 -13.247 9.674 74 HA HIS 7 HA HIS 7 -0.761 -10.982 9.397 75 HB2 HIS 7 2HB HIS 7 1.637 -11.526 9.982 76 HB3 HIS 7 3HB HIS 7 2.056 -11.206 8.304 77 HD2 HIS 7 2HD HIS 7 3.565 -9.364 10.034 78 HE1 HIS 7 1HE HIS 7 0.453 -6.451 9.891 79 HE2 HIS 7 2HE HIS 7 2.905 -6.846 10.455 80 H PHE 8 H PHE 8 1.044 -9.739 7.012 81 HA PHE 8 HA PHE 8 -1.029 -9.037 5.235 82 HB2 PHE 8 2HB PHE 8 1.937 -9.329 4.635 83 HB3 PHE 8 3HB PHE 8 0.787 -8.394 3.699 84 HD1 PHE 8 1HD PHE 8 -0.291 -6.333 4.749 85 HD2 PHE 8 2HD PHE 8 3.126 -8.340 6.447 86 HE1 PHE 8 1HE PHE 8 0.323 -4.261 5.982 87 HE2 PHE 8 2HE PHE 8 3.734 -6.272 7.673 88 HZ PHE 8 HZ PHE 8 2.335 -4.227 7.445 89 H THR 9 H THR 9 -1.818 -9.871 3.303 90 HA THR 9 HA THR 9 -1.064 -12.659 2.597 91 HB THR 9 HB THR 9 -3.424 -12.183 2.723 92 HG1 THR 9 1HG THR 9 -3.909 -13.193 0.820 93 HG21 THR 9 1HG2 THR 9 -2.987 -10.332 0.341 94 HG22 THR 9 2HG2 THR 9 -3.607 -9.887 1.952 95 HG23 THR 9 3HG2 THR 9 -4.560 -10.935 0.902 96 H SER 10 H SER 10 -0.570 -13.281 0.373 97 HA SER 10 HA SER 10 1.714 -11.877 -0.601 98 HB2 SER 10 2HB SER 10 1.606 -13.485 -2.485 99 HB3 SER 10 3HB SER 10 1.474 -14.260 -0.897 100 HG SER 10 HG SER 10 -0.087 -15.069 -2.378 101 H GLN 11 H GLN 11 -1.684 -11.717 -1.609 102 HA GLN 11 HA GLN 11 -1.294 -10.200 -4.012 103 HB2 GLN 11 2HB GLN 11 -3.656 -10.299 -2.089 104 HB3 GLN 11 3HB GLN 11 -3.674 -9.542 -3.690 105 HG2 GLN 11 2HG GLN 11 -3.113 -11.728 -4.735 106 HG3 GLN 11 3HG GLN 11 -3.142 -12.501 -3.149 107 HE21 GLN 11 1HE2 GLN 11 -4.769 -13.723 -4.814 108 HE22 GLN 11 2HE2 GLN 11 -6.442 -13.238 -4.573 109 H GLN 12 H GLN 12 -1.578 -9.147 -0.596 110 HA GLN 12 HA GLN 12 -1.612 -6.296 -1.183 111 HB2 GLN 12 2HB GLN 12 -0.864 -7.856 1.326 112 HB3 GLN 12 3HB GLN 12 -0.917 -6.098 1.235 113 HG2 GLN 12 2HG GLN 12 -3.278 -6.086 0.765 114 HG3 GLN 12 3HG GLN 12 -3.340 -7.833 0.602 115 HE21 GLN 12 1HE2 GLN 12 -4.670 -5.833 2.551 116 HE22 GLN 12 2HE2 GLN 12 -4.363 -6.602 4.108 117 H LEU 13 H LEU 13 0.987 -8.638 -0.305 118 HA LEU 13 HA LEU 13 3.162 -6.789 -0.418 119 HB2 LEU 13 2HB LEU 13 2.857 -9.784 -0.644 120 HB3 LEU 13 3HB LEU 13 4.368 -9.063 -1.177 121 HG LEU 13 HG LEU 13 4.735 -8.028 1.005 122 HD11 LEU 13 1HD1 LEU 13 2.231 -9.481 1.910 123 HD12 LEU 13 2HD1 LEU 13 2.446 -7.714 1.815 124 HD13 LEU 13 3HD1 LEU 13 3.410 -8.653 2.956 125 HD21 LEU 13 3HD2 LEU 13 5.209 -10.095 2.246 126 HD22 LEU 13 1HD2 LEU 13 5.604 -10.294 0.532 127 HD23 LEU 13 2HD2 LEU 13 4.111 -11.004 1.186 128 H GLN 14 H GLN 14 1.637 -8.670 -3.064 129 HA GLN 14 HA GLN 14 3.505 -7.767 -5.074 130 HB2 GLN 14 2HB GLN 14 0.761 -9.060 -5.166 131 HB3 GLN 14 3HB GLN 14 1.639 -8.594 -6.638 132 HG2 GLN 14 2HG GLN 14 3.543 -9.951 -6.045 133 HG3 GLN 14 3HG GLN 14 2.862 -10.346 -4.473 134 HE21 GLN 14 1HE2 GLN 14 3.528 -12.566 -5.655 135 HE22 GLN 14 2HE2 GLN 14 2.173 -13.348 -6.459 136 H GLU 15 H GLU 15 0.256 -6.512 -4.115 137 HA GLU 15 HA GLU 15 0.284 -4.361 -6.053 138 HB2 GLU 15 2HB GLU 15 -1.174 -4.792 -3.423 139 HB3 GLU 15 3HB GLU 15 -1.379 -3.334 -4.403 140 HG2 GLU 15 2HG GLU 15 -2.048 -4.731 -6.349 141 HG3 GLU 15 3HG GLU 15 -1.938 -6.177 -5.354 142 H LEU 16 H LEU 16 1.632 -4.658 -2.773 143 HA LEU 16 HA LEU 16 2.422 -1.876 -2.536 144 HB2 LEU 16 2HB LEU 16 3.169 -4.427 -1.082 145 HB3 LEU 16 3HB LEU 16 3.958 -2.901 -0.725 146 HG LEU 16 HG LEU 16 0.933 -3.130 -0.621 147 HD11 LEU 16 1HD1 LEU 16 2.893 -3.544 1.669 148 HD12 LEU 16 2HD1 LEU 16 1.896 -4.811 0.931 149 HD13 LEU 16 3HD1 LEU 16 1.126 -3.473 1.796 150 HD21 LEU 16 3HD2 LEU 16 1.947 -0.844 -0.666 151 HD22 LEU 16 1HD2 LEU 16 2.908 -1.259 0.764 152 HD23 LEU 16 2HD2 LEU 16 1.133 -1.196 0.865 153 H GLU 17 H GLU 17 4.180 -4.841 -3.592 154 HA GLU 17 HA GLU 17 6.597 -3.412 -4.177 155 HB2 GLU 17 2HB GLU 17 6.419 -5.855 -3.757 156 HB3 GLU 17 3HB GLU 17 5.684 -6.059 -5.355 157 HG2 GLU 17 2HG GLU 17 7.699 -5.330 -6.457 158 HG3 GLU 17 3HG GLU 17 8.361 -4.656 -4.966 159 H ALA 18 H ALA 18 3.748 -4.189 -6.239 160 HA ALA 18 HA ALA 18 4.791 -3.180 -8.669 161 HB1 ALA 18 1HB ALA 18 2.722 -4.487 -8.505 162 HB2 ALA 18 2HB ALA 18 1.924 -3.158 -7.629 163 HB3 ALA 18 3HB ALA 18 2.419 -2.943 -9.321 164 H THR 19 H THR 19 3.126 -1.346 -6.021 165 HA THR 19 HA THR 19 3.475 1.171 -7.457 166 HB THR 19 HB THR 19 1.613 0.886 -5.931 167 HG1 THR 19 1HG THR 19 2.262 2.950 -6.383 168 HG21 THR 19 1HG2 THR 19 1.885 1.183 -3.520 169 HG22 THR 19 2HG2 THR 19 3.645 1.030 -3.683 170 HG23 THR 19 3HG2 THR 19 2.585 -0.333 -4.080 171 H PHE 20 H PHE 20 5.370 -0.470 -4.876 172 HA PHE 20 HA PHE 20 7.278 1.575 -4.448 173 HB2 PHE 20 2HB PHE 20 7.148 -0.345 -3.019 174 HB3 PHE 20 3HB PHE 20 7.473 -1.443 -4.353 175 HD1 PHE 20 1HD PHE 20 9.016 1.145 -2.169 176 HD2 PHE 20 2HD PHE 20 9.707 -1.987 -5.039 177 HE1 PHE 20 1HE PHE 20 11.442 1.246 -1.686 178 HE2 PHE 20 2HE PHE 20 12.141 -1.895 -4.554 179 HZ PHE 20 HZ PHE 20 13.015 -0.283 -2.873 180 H GLN 21 H GLN 21 7.374 -1.040 -6.969 181 HA GLN 21 HA GLN 21 9.871 -0.029 -8.035 182 HB2 GLN 21 2HB GLN 21 7.843 -1.935 -9.245 183 HB3 GLN 21 3HB GLN 21 9.443 -1.616 -9.911 184 HG2 GLN 21 2HG GLN 21 8.911 -2.862 -7.177 185 HG3 GLN 21 3HG GLN 21 9.317 -3.733 -8.641 186 HE21 GLN 21 1HE2 GLN 21 10.978 -4.487 -6.889 187 HE22 GLN 21 2HE2 GLN 21 12.498 -3.612 -6.914 188 H ARG 22 H ARG 22 6.629 1.047 -8.508 189 HA ARG 22 HA ARG 22 7.254 2.580 -10.963 190 HB2 ARG 22 2HB ARG 22 4.989 1.642 -10.526 191 HB3 ARG 22 3HB ARG 22 4.831 2.700 -9.118 192 HG2 ARG 22 2HG ARG 22 5.011 4.692 -10.577 193 HG3 ARG 22 3HG ARG 22 5.245 3.643 -11.991 194 HD2 ARG 22 2HD ARG 22 3.007 2.655 -11.627 195 HD3 ARG 22 3HD ARG 22 2.778 3.690 -10.202 196 HE ARG 22 HE ARG 22 3.409 5.357 -12.419 197 HH11 ARG 22 1HH2 ARG 22 0.725 3.349 -11.401 198 HH12 ARG 22 2HH2 ARG 22 -0.440 4.306 -12.276 199 HH21 ARG 22 2HH1 ARG 22 1.873 6.532 -13.512 200 HH22 ARG 22 1HH1 ARG 22 0.200 6.059 -13.437 201 H ASN 23 H ASN 23 6.857 3.228 -7.482 202 HA ASN 23 HA ASN 23 8.688 5.539 -7.671 203 HB2 ASN 23 2HB ASN 23 6.439 6.515 -8.019 204 HB3 ASN 23 3HB ASN 23 5.848 5.722 -6.557 205 HD21 ASN 23 1HD2 ASN 23 5.328 8.238 -6.432 206 HD22 ASN 23 2HD2 ASN 23 6.516 9.139 -5.500 207 H ARG 24 H ARG 24 10.204 5.074 -6.186 208 HA ARG 24 HA ARG 24 9.652 3.331 -3.884 209 HB2 ARG 24 2HB ARG 24 12.218 4.647 -4.857 210 HB3 ARG 24 3HB ARG 24 12.103 3.550 -3.474 211 HG2 ARG 24 2HG ARG 24 11.158 1.786 -4.967 212 HG3 ARG 24 3HG ARG 24 11.412 2.853 -6.361 213 HD2 ARG 24 2HD ARG 24 13.830 2.875 -5.918 214 HD3 ARG 24 3HD ARG 24 13.589 1.853 -4.484 215 HE ARG 24 HE ARG 24 12.403 0.507 -6.668 216 HH11 ARG 24 1HH1 ARG 24 15.658 1.371 -5.698 217 HH12 ARG 24 2HH1 ARG 24 16.363 0.039 -6.572 218 HH21 ARG 24 1HH2 ARG 24 13.341 -1.125 -7.770 219 HH22 ARG 24 2HH2 ARG 24 15.079 -1.336 -7.738 220 H TYR 25 H TYR 25 9.378 6.657 -4.296 221 HA TYR 25 HA TYR 25 9.483 7.133 -1.354 222 HB2 TYR 25 2HB TYR 25 10.706 8.904 -3.496 223 HB3 TYR 25 3HB TYR 25 10.555 9.319 -1.794 224 HD1 TYR 25 2HD TYR 25 11.940 8.252 -0.072 225 HD2 TYR 25 1HD TYR 25 12.387 7.253 -4.247 226 HE1 TYR 25 2HE TYR 25 14.125 7.170 0.422 227 HE2 TYR 25 1HE TYR 25 14.572 6.153 -3.744 228 HH TYR 25 HH TYR 25 15.953 6.128 -0.437 229 HA PRO 26 HA PRO 26 5.544 8.801 -3.345 230 HB2 PRO 26 2HB PRO 26 3.687 7.241 -2.082 231 HB3 PRO 26 3HB PRO 26 4.505 6.774 -3.605 232 HG2 PRO 26 2HG PRO 26 5.188 5.943 -0.776 233 HG3 PRO 26 3HG PRO 26 5.043 4.920 -2.236 234 HD2 PRO 26 2HD PRO 26 7.450 5.829 -1.299 235 HD3 PRO 26 3HD PRO 26 7.116 5.630 -3.043 236 H ASP 27 H ASP 27 4.092 10.217 -2.403 237 HA ASP 27 HA ASP 27 4.727 11.343 0.205 238 HB2 ASP 27 2HB ASP 27 4.041 12.699 -1.747 239 HB3 ASP 27 3HB ASP 27 2.480 11.877 -1.783 240 H MET 28 H MET 28 3.165 11.554 1.989 241 HA MET 28 HA MET 28 2.000 9.155 2.884 242 HB2 MET 28 2HB MET 28 1.534 12.063 3.644 243 HB3 MET 28 3HB MET 28 0.724 10.727 4.457 244 HG2 MET 28 2HG MET 28 2.604 11.394 5.749 245 HG3 MET 28 3HG MET 28 2.851 9.763 5.155 246 HE1 MET 28 3HE MET 28 4.488 9.242 3.013 247 HE2 MET 28 1HE MET 28 6.130 9.818 3.368 248 HE3 MET 28 2HE MET 28 5.168 9.032 4.639 249 H SER 29 H SER 29 0.408 11.774 0.966 250 HA SER 29 HA SER 29 -2.242 10.591 1.180 251 HB2 SER 29 2HB SER 29 -1.075 12.548 -0.831 252 HB3 SER 29 3HB SER 29 -2.783 12.079 -0.737 253 HG SER 29 HG SER 29 -2.303 14.024 0.432 254 H THR 30 H THR 30 0.444 10.192 -1.153 255 HA THR 30 HA THR 30 -0.977 8.489 -3.016 256 HB THR 30 HB THR 30 1.994 8.573 -2.377 257 HG1 THR 30 1HG THR 30 0.526 10.050 -4.295 258 HG21 THR 30 1HG2 THR 30 0.523 7.695 -4.895 259 HG22 THR 30 2HG2 THR 30 1.450 6.653 -3.796 260 HG23 THR 30 3HG2 THR 30 2.286 7.891 -4.741 261 H ARG 31 H ARG 31 1.107 7.840 -0.171 262 HA ARG 31 HA ARG 31 0.822 4.979 -0.157 263 HB2 ARG 31 2HB ARG 31 1.326 6.925 2.135 264 HB3 ARG 31 3HB ARG 31 1.463 5.167 2.251 265 HG2 ARG 31 2HG ARG 31 3.243 5.170 0.527 266 HG3 ARG 31 3HG ARG 31 3.118 6.927 0.414 267 HD2 ARG 31 2HD ARG 31 3.571 6.889 3.004 268 HD3 ARG 31 3HD ARG 31 4.150 5.251 2.710 269 HE ARG 31 HE ARG 31 5.179 7.665 1.219 270 HH11 ARG 31 2HH1 ARG 31 6.048 4.695 2.876 271 HH12 ARG 31 1HH1 ARG 31 7.748 4.990 2.622 272 HH21 ARG 31 1HH2 ARG 31 7.219 7.927 0.895 273 HH22 ARG 31 2HH2 ARG 31 8.419 6.814 1.528 274 H GLU 32 H GLU 32 -1.260 7.512 1.304 275 HA GLU 32 HA GLU 32 -2.980 5.651 2.625 276 HB2 GLU 32 2HB GLU 32 -2.809 8.089 3.156 277 HB3 GLU 32 3HB GLU 32 -3.641 8.462 1.641 278 HG2 GLU 32 2HG GLU 32 -5.643 7.253 2.430 279 HG3 GLU 32 3HG GLU 32 -4.785 6.744 3.887 280 H GLU 33 H GLU 33 -3.213 7.068 -0.688 281 HA GLU 33 HA GLU 33 -5.711 5.818 -1.352 282 HB2 GLU 33 2HB GLU 33 -3.353 6.650 -3.076 283 HB3 GLU 33 3HB GLU 33 -4.840 5.969 -3.733 284 HG2 GLU 33 2HG GLU 33 -4.764 8.489 -2.023 285 HG3 GLU 33 3HG GLU 33 -4.699 8.483 -3.780 286 H ILE 34 H ILE 34 -2.322 4.591 -1.870 287 HA ILE 34 HA ILE 34 -3.363 2.077 -2.835 288 HB ILE 34 HB ILE 34 -1.163 1.228 -2.896 289 HG12 ILE 34 2HG1 ILE 34 0.797 2.779 -2.285 290 HG13 ILE 34 3HG1 ILE 34 -0.332 3.595 -1.219 291 HG21 ILE 34 1HG2 ILE 34 -1.086 4.148 -3.738 292 HG22 ILE 34 2HG2 ILE 34 -0.169 2.801 -4.429 293 HG23 ILE 34 3HG2 ILE 34 -1.925 2.854 -4.623 294 HD11 ILE 34 3HD1 ILE 34 -0.484 1.698 0.212 295 HD12 ILE 34 1HD1 ILE 34 0.074 0.586 -1.059 296 HD13 ILE 34 2HD1 ILE 34 1.208 1.702 -0.294 297 H ALA 35 H ALA 35 -2.666 3.185 0.461 298 HA ALA 35 HA ALA 35 -2.906 0.660 1.731 299 HB1 ALA 35 1HB ALA 35 -2.111 2.729 2.851 300 HB2 ALA 35 2HB ALA 35 -3.763 3.377 2.804 301 HB3 ALA 35 3HB ALA 35 -3.398 1.923 3.742 302 H VAL 36 H VAL 36 -5.566 3.046 0.932 303 HA VAL 36 HA VAL 36 -7.586 1.235 1.927 304 HB VAL 36 HB VAL 36 -9.261 2.605 0.859 305 HG11 VAL 36 1HG1 VAL 36 -8.880 4.646 2.120 306 HG12 VAL 36 2HG1 VAL 36 -8.348 3.240 3.063 307 HG13 VAL 36 3HG1 VAL 36 -7.150 4.283 2.261 308 HG21 VAL 36 3HG2 VAL 36 -8.051 3.310 -1.202 309 HG22 VAL 36 1HG2 VAL 36 -8.767 4.659 -0.316 310 HG23 VAL 36 2HG2 VAL 36 -7.027 4.358 -0.201 311 H TRP 37 H TRP 37 -6.076 1.504 -1.277 312 HA TRP 37 HA TRP 37 -7.885 -0.333 -2.578 313 HB2 TRP 37 2HB TRP 37 -5.003 0.324 -3.212 314 HB3 TRP 37 3HB TRP 37 -6.132 -0.481 -4.292 315 HD1 TRP 37 1HD TRP 37 -8.263 2.012 -3.056 316 HE1 TRP 37 1HE TRP 37 -8.144 4.288 -4.216 317 HE3 TRP 37 3HE TRP 37 -3.918 1.323 -5.652 318 HZ2 TRP 37 2HZ TRP 37 -6.436 5.597 -6.155 319 HZ3 TRP 37 3HZ TRP 37 -3.062 3.106 -7.159 320 HH2 TRP 37 2HH TRP 37 -4.306 5.242 -7.415 321 H THR 38 H THR 38 -4.898 -0.859 -0.705 322 HA THR 38 HA THR 38 -5.039 -3.794 -1.067 323 HB THR 38 HB THR 38 -3.043 -3.827 0.430 324 HG1 THR 38 1HG THR 38 -3.005 -1.037 0.048 325 HG21 THR 38 1HG2 THR 38 -2.779 -3.789 -2.001 326 HG22 THR 38 2HG2 THR 38 -1.475 -2.905 -1.191 327 HG23 THR 38 3HG2 THR 38 -2.785 -2.014 -2.000 328 H ASN 39 H ASN 39 -6.709 -1.718 0.858 329 HA ASN 39 HA ASN 39 -7.769 -1.716 2.792 330 HB2 ASN 39 2HB ASN 39 -8.877 -3.677 1.670 331 HB3 ASN 39 3HB ASN 39 -7.823 -4.750 2.596 332 HD21 ASN 39 1HD2 ASN 39 -9.960 -5.610 3.354 333 HD22 ASN 39 2HD2 ASN 39 -10.739 -4.779 4.693 334 H LEU 40 H LEU 40 -5.331 -1.154 3.169 335 HA LEU 40 HA LEU 40 -4.529 -2.264 5.827 336 HB2 LEU 40 2HB LEU 40 -2.815 -1.212 3.530 337 HB3 LEU 40 3HB LEU 40 -2.188 -1.522 5.140 338 HG LEU 40 HG LEU 40 -3.373 -3.642 3.296 339 HD11 LEU 40 1HD1 LEU 40 -0.499 -3.033 4.101 340 HD12 LEU 40 2HD1 LEU 40 -1.221 -2.776 2.502 341 HD13 LEU 40 3HD1 LEU 40 -1.041 -4.422 3.127 342 HD21 LEU 40 3HD2 LEU 40 -3.702 -4.287 5.628 343 HD22 LEU 40 1HD2 LEU 40 -2.031 -3.827 6.030 344 HD23 LEU 40 2HD2 LEU 40 -2.358 -5.216 4.971 345 H THR 41 H THR 41 -3.033 -0.545 6.906 346 HA THR 41 HA THR 41 -4.272 2.170 6.746 347 HB THR 41 HB THR 41 -3.122 2.494 9.006 348 HG1 THR 41 1HG THR 41 -2.632 0.714 10.140 349 HG21 THR 41 1HG2 THR 41 -5.426 0.513 8.763 350 HG22 THR 41 2HG2 THR 41 -5.543 2.283 8.824 351 HG23 THR 41 3HG2 THR 41 -4.964 1.392 10.243 352 H GLU 42 H GLU 42 -2.927 3.991 6.663 353 HA GLU 42 HA GLU 42 -0.725 3.649 4.910 354 HB2 GLU 42 2HB GLU 42 -2.318 5.531 5.040 355 HB3 GLU 42 3HB GLU 42 -1.523 6.118 6.496 356 HG2 GLU 42 2HG GLU 42 0.174 5.625 4.056 357 HG3 GLU 42 3HG GLU 42 -0.996 6.925 3.946 358 H ALA 43 H ALA 43 -0.726 3.964 8.447 359 HA ALA 43 HA ALA 43 2.110 4.337 8.773 360 HB1 ALA 43 1HB ALA 43 1.660 3.581 11.079 361 HB2 ALA 43 2HB ALA 43 0.439 4.751 10.547 362 HB3 ALA 43 3HB ALA 43 0.046 3.015 10.599 363 H ARG 44 H ARG 44 0.213 1.376 8.064 364 HA ARG 44 HA ARG 44 2.551 -0.386 8.468 365 HB2 ARG 44 2HB ARG 44 -0.214 -0.785 7.292 366 HB3 ARG 44 3HB ARG 44 1.067 -1.964 7.009 367 HG2 ARG 44 2HG ARG 44 1.429 -2.280 9.391 368 HG3 ARG 44 3HG ARG 44 0.237 -1.038 9.794 369 HD2 ARG 44 2HD ARG 44 -0.432 -3.559 8.214 370 HD3 ARG 44 3HD ARG 44 -0.536 -3.452 9.980 371 HE ARG 44 HE ARG 44 -1.984 -1.259 9.044 372 HH11 ARG 44 1HH1 ARG 44 -2.380 -4.740 8.790 373 HH12 ARG 44 2HH1 ARG 44 -4.117 -4.612 8.771 374 HH21 ARG 44 1HH2 ARG 44 -4.100 -1.173 9.083 375 HH22 ARG 44 2HH2 ARG 44 -5.091 -2.611 8.931 376 H VAL 45 H VAL 45 1.227 1.474 5.760 377 HA VAL 45 HA VAL 45 3.076 0.430 3.790 378 HB VAL 45 HB VAL 45 1.778 3.188 3.789 379 HG11 VAL 45 1HG1 VAL 45 2.844 1.437 1.544 380 HG12 VAL 45 2HG1 VAL 45 2.039 3.011 1.360 381 HG13 VAL 45 3HG1 VAL 45 3.613 2.921 2.145 382 HG21 VAL 45 3HG2 VAL 45 0.045 2.187 2.385 383 HG22 VAL 45 1HG2 VAL 45 0.730 0.567 2.651 384 HG23 VAL 45 2HG2 VAL 45 0.014 1.483 3.996 385 H ARG 46 H ARG 46 3.259 3.223 6.030 386 HA ARG 46 HA ARG 46 5.853 4.185 5.344 387 HB2 ARG 46 2HB ARG 46 4.386 4.118 8.013 388 HB3 ARG 46 3HB ARG 46 5.905 4.953 7.775 389 HG2 ARG 46 2HG ARG 46 4.838 6.348 5.971 390 HG3 ARG 46 3HG ARG 46 3.298 5.564 6.360 391 HD2 ARG 46 2HD ARG 46 3.700 6.320 8.792 392 HD3 ARG 46 3HD ARG 46 5.002 7.340 8.142 393 HE ARG 46 HE ARG 46 2.512 7.703 6.696 394 HH11 ARG 46 1HH2 ARG 46 4.150 8.812 9.608 395 HH12 ARG 46 2HH2 ARG 46 3.048 10.146 9.813 396 HH21 ARG 46 1HH1 ARG 46 1.050 9.209 7.162 397 HH22 ARG 46 2HH1 ARG 46 1.338 10.411 8.413 398 H VAL 47 H VAL 47 5.020 1.353 7.278 399 HA VAL 47 HA VAL 47 7.845 0.833 8.007 400 HB VAL 47 HB VAL 47 5.284 -0.723 8.514 401 HG11 VAL 47 1HG1 VAL 47 7.119 -2.351 8.410 402 HG12 VAL 47 2HG1 VAL 47 8.125 -1.320 9.455 403 HG13 VAL 47 3HG1 VAL 47 6.655 -2.088 10.090 404 HG21 VAL 47 3HG2 VAL 47 5.666 -0.048 10.854 405 HG22 VAL 47 1HG2 VAL 47 7.134 0.835 10.380 406 HG23 VAL 47 2HG2 VAL 47 5.540 1.382 9.826 407 H TRP 48 H TRP 48 5.383 -0.594 5.784 408 HA TRP 48 HA TRP 48 6.976 -2.758 4.945 409 HB2 TRP 48 2HB TRP 48 4.514 -2.451 4.590 410 HB3 TRP 48 3HB TRP 48 4.878 -1.325 3.282 411 HD1 TRP 48 1HD TRP 48 4.657 -4.971 4.140 412 HE1 TRP 48 1HE TRP 48 5.183 -6.450 2.113 413 HE3 TRP 48 3HE TRP 48 6.348 -1.363 0.903 414 HZ2 TRP 48 2HZ TRP 48 6.276 -6.131 -0.543 415 HZ3 TRP 48 3HZ TRP 48 7.171 -1.990 -1.342 416 HH2 TRP 48 2HH TRP 48 7.168 -4.368 -2.067 417 H PHE 49 H PHE 49 6.835 0.553 3.541 418 HA PHE 49 HA PHE 49 8.595 -0.002 1.334 419 HB2 PHE 49 2HB PHE 49 7.636 2.461 2.770 420 HB3 PHE 49 3HB PHE 49 9.039 2.599 1.726 421 HD1 PHE 49 2HD PHE 49 5.583 1.028 1.561 422 HD2 PHE 49 1HD PHE 49 8.703 3.202 -0.480 423 HE1 PHE 49 2HE PHE 49 4.189 1.117 -0.490 424 HE2 PHE 49 1HE PHE 49 7.301 3.279 -2.522 425 HZ PHE 49 HZ PHE 49 5.045 2.251 -2.532 426 H LYS 50 H LYS 50 9.325 0.913 4.708 427 HA LYS 50 HA LYS 50 12.213 1.102 4.328 428 HB2 LYS 50 2HB LYS 50 10.534 0.594 6.823 429 HB3 LYS 50 3HB LYS 50 12.277 0.864 6.820 430 HG2 LYS 50 2HG LYS 50 12.006 3.114 5.927 431 HG3 LYS 50 3HG LYS 50 10.260 2.866 5.730 432 HD2 LYS 50 2HD LYS 50 10.019 2.564 8.189 433 HD3 LYS 50 3HD LYS 50 11.758 2.795 8.389 434 HE2 LYS 50 2HE LYS 50 10.529 4.820 8.969 435 HE3 LYS 50 3HE LYS 50 11.601 5.107 7.596 436 HZ1 LYS 50 3HZ LYS 50 9.254 6.005 7.392 437 HZ2 LYS 50 1HZ LYS 50 8.731 4.448 7.226 438 HZ3 LYS 50 2HZ LYS 50 9.749 5.094 6.130 439 H ASN 51 H ASN 51 10.020 -1.528 5.343 440 HA ASN 51 HA ASN 51 12.016 -3.503 5.785 441 HB2 ASN 51 2HB ASN 51 9.597 -3.538 6.507 442 HB3 ASN 51 3HB ASN 51 9.142 -3.901 4.843 443 HD21 ASN 51 1HD2 ASN 51 8.138 -5.740 6.192 444 HD22 ASN 51 2HD2 ASN 51 9.146 -7.168 6.367 445 H ARG 52 H ARG 52 10.154 -2.810 2.768 446 HA ARG 52 HA ARG 52 11.419 -4.721 1.095 447 HB2 ARG 52 2HB ARG 52 9.340 -3.553 0.559 448 HB3 ARG 52 3HB ARG 52 10.178 -2.011 0.477 449 HG2 ARG 52 2HG ARG 52 9.636 -2.791 -1.725 450 HG3 ARG 52 3HG ARG 52 11.379 -2.720 -1.549 451 HD2 ARG 52 2HD ARG 52 9.838 -5.326 -1.198 452 HD3 ARG 52 3HD ARG 52 10.298 -4.711 -2.792 453 HE ARG 52 HE ARG 52 12.572 -4.754 -1.016 454 HH11 ARG 52 1HH1 ARG 52 10.752 -6.888 -3.187 455 HH12 ARG 52 2HH1 ARG 52 12.138 -7.921 -3.395 456 HH21 ARG 52 1HH2 ARG 52 14.231 -6.096 -1.374 457 HH22 ARG 52 2HH2 ARG 52 14.054 -7.481 -2.416 458 H ARG 53 H ARG 53 12.429 -1.326 1.739 459 HA ARG 53 HA ARG 53 14.792 -1.477 0.049 460 HB2 ARG 53 2HB ARG 53 14.026 0.401 2.319 461 HB3 ARG 53 3HB ARG 53 15.506 0.557 1.358 462 HG2 ARG 53 2HG ARG 53 14.170 0.757 -0.720 463 HG3 ARG 53 3HG ARG 53 12.684 0.585 0.213 464 HD2 ARG 53 2HD ARG 53 12.967 2.906 -0.240 465 HD3 ARG 53 3HD ARG 53 13.264 2.676 1.476 466 HE ARG 53 HE ARG 53 15.267 3.267 -0.667 467 HH11 ARG 53 1HH2 ARG 53 14.709 3.038 2.790 468 HH12 ARG 53 2HH2 ARG 53 16.266 3.722 3.166 469 HH21 ARG 53 1HH1 ARG 53 17.234 4.079 -0.111 470 HH22 ARG 53 2HH1 ARG 53 17.651 4.300 1.563 471 H ALA 54 H ALA 54 14.346 -2.088 3.555 472 HA ALA 54 HA ALA 54 17.088 -2.687 4.089 473 HB1 ALA 54 1HB ALA 54 14.556 -3.726 5.439 474 HB2 ALA 54 2HB ALA 54 16.200 -3.786 6.107 475 HB3 ALA 54 3HB ALA 54 15.413 -2.219 5.835 476 H LYS 55 H LYS 55 14.405 -4.841 3.038 477 HA LYS 55 HA LYS 55 15.898 -7.270 2.931 478 HB2 LYS 55 2HB LYS 55 13.405 -6.954 2.912 479 HB3 LYS 55 3HB LYS 55 13.508 -6.421 1.231 480 HG2 LYS 55 2HG LYS 55 14.440 -8.656 0.612 481 HG3 LYS 55 3HG LYS 55 14.345 -9.146 2.318 482 HD2 LYS 55 2HD LYS 55 11.854 -8.635 2.227 483 HD3 LYS 55 3HD LYS 55 12.008 -8.408 0.486 484 HE2 LYS 55 2HE LYS 55 12.698 -10.957 2.034 485 HE3 LYS 55 3HE LYS 55 11.182 -10.676 1.177 486 HZ1 LYS 55 3HZ LYS 55 12.709 -11.960 -0.178 487 HZ2 LYS 55 1HZ LYS 55 13.856 -10.807 -0.112 488 HZ3 LYS 55 2HZ LYS 55 12.446 -10.525 -0.901 489 H TRP 56 H TRP 56 15.505 -4.710 0.504 490 HA TRP 56 HA TRP 56 17.017 -5.988 -1.624 491 HB2 TRP 56 2HB TRP 56 15.472 -4.184 -2.089 492 HB3 TRP 56 3HB TRP 56 16.295 -3.107 -0.978 493 HD1 TRP 56 1HD TRP 56 16.800 -4.776 -4.371 494 HE1 TRP 56 1HE TRP 56 18.460 -3.395 -5.777 495 HE3 TRP 56 3HE TRP 56 18.245 -1.406 -0.804 496 HZ2 TRP 56 2HZ TRP 56 20.210 -1.132 -5.380 497 HZ3 TRP 56 3HZ TRP 56 19.955 0.319 -1.326 498 HH2 TRP 56 2HH TRP 56 20.938 0.471 -3.604 499 H ARG 57 H ARG 57 17.946 -3.741 0.988 500 HA ARG 57 HA ARG 57 20.748 -3.595 0.303 501 HB2 ARG 57 2HB ARG 57 19.521 -1.924 1.644 502 HB3 ARG 57 3HB ARG 57 19.338 -3.096 2.957 503 HG2 ARG 57 2HG ARG 57 21.776 -3.164 3.282 504 HG3 ARG 57 3HG ARG 57 22.020 -2.139 1.860 505 HD2 ARG 57 2HD ARG 57 22.248 -0.793 3.878 506 HD3 ARG 57 3HD ARG 57 20.843 -0.281 2.956 507 HE ARG 57 HE ARG 57 19.443 -0.920 4.681 508 HH11 ARG 57 1HH1 ARG 57 22.602 -2.242 5.430 509 HH12 ARG 57 2HH1 ARG 57 22.126 -2.685 7.046 510 HH21 ARG 57 1HH2 ARG 57 18.908 -1.520 6.745 511 HH22 ARG 57 2HH2 ARG 57 20.084 -2.301 7.757 512 H LYS 58 H LYS 58 19.028 -5.681 2.625 513 HA LYS 58 HA LYS 58 21.414 -7.188 3.396 514 HB2 LYS 58 2HB LYS 58 18.457 -7.538 4.006 515 HB3 LYS 58 3HB LYS 58 19.706 -8.573 4.668 516 HG2 LYS 58 2HG LYS 58 19.527 -5.563 5.123 517 HG3 LYS 58 3HG LYS 58 18.981 -6.807 6.237 518 HD2 LYS 58 2HD LYS 58 21.866 -6.271 5.404 519 HD3 LYS 58 3HD LYS 58 21.108 -5.919 6.959 520 HE2 LYS 58 2HE LYS 58 20.659 -8.407 7.221 521 HE3 LYS 58 3HE LYS 58 21.629 -8.678 5.767 522 HZ1 LYS 58 3HZ LYS 58 22.606 -7.419 8.271 523 HZ2 LYS 58 1HZ LYS 58 23.521 -7.639 6.921 524 HZ3 LYS 58 2HZ LYS 58 22.984 -8.925 7.752 525 H ARG 59 H ARG 59 21.476 -7.311 0.806 526 HA ARG 59 HA ARG 59 20.539 -9.881 -0.258 527 HB2 ARG 59 2HB ARG 59 21.876 -9.328 -2.196 528 HB3 ARG 59 3HB ARG 59 20.929 -7.938 -1.687 529 HG2 ARG 59 2HG ARG 59 23.119 -7.172 -0.433 530 HG3 ARG 59 3HG ARG 59 23.922 -8.409 -1.398 531 HD2 ARG 59 2HD ARG 59 24.170 -6.313 -2.511 532 HD3 ARG 59 3HD ARG 59 23.042 -7.283 -3.472 533 HE ARG 59 HE ARG 59 21.267 -5.921 -1.993 534 HH11 ARG 59 1HH1 ARG 59 24.093 -4.547 -3.574 535 HH12 ARG 59 2HH1 ARG 59 23.352 -2.973 -3.665 536 HH21 ARG 59 1HH2 ARG 59 20.412 -4.008 -2.189 537 HH22 ARG 59 2HH2 ARG 59 21.277 -2.662 -2.897 538 H GLU 60 H GLU 60 23.039 -8.964 1.836 539 HA GLU 60 HA GLU 60 24.062 -11.751 1.920 540 HB2 GLU 60 2HB GLU 60 25.713 -9.202 2.175 541 HB3 GLU 60 3HB GLU 60 26.287 -10.793 2.645 542 HG2 GLU 60 2HG GLU 60 25.493 -9.949 -0.173 543 HG3 GLU 60 3HG GLU 60 27.133 -10.099 0.442 544 H GLU 61 H GLU 61 24.766 -12.396 4.059 545 HA GLU 61 HA GLU 61 22.880 -11.534 6.056 546 HB2 GLU 61 2HB GLU 61 23.775 -13.876 5.610 547 HB3 GLU 61 3HB GLU 61 25.281 -13.374 6.371 548 HG2 GLU 61 2HG GLU 61 23.987 -14.597 7.971 549 HG3 GLU 61 3HG GLU 61 24.017 -12.925 8.496 550 H PHE 62 H PHE 62 26.211 -10.653 5.462 551 HA PHE 62 HA PHE 62 27.030 -10.013 8.085 552 HB2 PHE 62 2HB PHE 62 28.065 -8.867 5.471 553 HB3 PHE 62 3HB PHE 62 28.929 -8.925 7.000 554 HD1 PHE 62 2HD PHE 62 29.257 -11.326 8.074 555 HD2 PHE 62 1HD PHE 62 28.404 -10.612 3.905 556 HE1 PHE 62 2HE PHE 62 30.140 -13.578 7.504 557 HE2 PHE 62 1HE PHE 62 29.279 -12.865 3.342 558 HZ PHE 62 HZ PHE 62 30.148 -14.351 5.140 559 H ILE 63 H ILE 63 27.677 -7.982 8.996 560 HA ILE 63 HA ILE 63 26.368 -5.517 8.139 561 HB ILE 63 HB ILE 63 24.636 -6.679 9.484 562 HG12 ILE 63 2HG1 ILE 63 24.050 -4.925 11.062 563 HG13 ILE 63 3HG1 ILE 63 25.658 -4.223 10.961 564 HG21 ILE 63 1HG2 ILE 63 26.095 -7.967 11.015 565 HG22 ILE 63 2HG2 ILE 63 26.542 -6.463 11.850 566 HG23 ILE 63 3HG2 ILE 63 24.868 -7.041 11.881 567 HD11 ILE 63 3HD1 ILE 63 23.696 -4.470 8.629 568 HD12 ILE 63 1HD1 ILE 63 23.955 -3.011 9.606 569 HD13 ILE 63 2HD1 ILE 63 25.263 -3.626 8.588 570 H VAL 64 H VAL 64 27.229 -3.634 9.158 571 HA VAL 64 HA VAL 64 29.639 -3.966 10.882 572 HB VAL 64 HB VAL 64 29.474 -2.094 8.485 573 HG11 VAL 64 1HG1 VAL 64 30.787 -1.094 10.315 574 HG12 VAL 64 2HG1 VAL 64 31.722 -2.599 10.490 575 HG13 VAL 64 3HG1 VAL 64 31.857 -1.617 9.017 576 HG21 VAL 64 3HG2 VAL 64 31.368 -3.434 7.588 577 HG22 VAL 64 1HG2 VAL 64 31.183 -4.581 8.934 578 HG23 VAL 64 2HG2 VAL 64 29.894 -4.391 7.723 579 H THR 65 H THR 65 29.703 -2.588 12.566 580 HA THR 65 HA THR 65 27.920 -0.213 12.705 581 HB THR 65 HB THR 65 27.948 -2.371 14.853 582 HG1 THR 65 1HG THR 65 26.001 -1.767 12.885 583 HG21 THR 65 1HG2 THR 65 27.396 -0.182 15.783 584 HG22 THR 65 2HG2 THR 65 25.932 -1.162 15.691 585 HG23 THR 65 3HG2 THR 65 26.216 0.116 14.486 586 H ASP 66 H ASP 66 28.712 1.417 13.968 587 HA ASP 66 HA ASP 66 31.029 1.021 15.761 588 HB2 ASP 66 2HB ASP 66 32.026 1.478 13.557 589 HB3 ASP 66 3HB ASP 66 31.045 2.929 13.391 Start of MODEL 20 1 H1 GLY -1 1H GLY -1 -10.583 -32.218 12.293 2 H2 GLY -1 2H GLY -1 -10.289 -30.617 12.108 3 H3 GLY -1 3H GLY -1 -9.916 -31.359 13.519 4 HA2 GLY -1 2HA GLY -1 -8.242 -32.715 12.436 5 HA3 GLY -1 3HA GLY -1 -8.635 -31.889 10.918 6 H SER 0 H SER 0 -6.370 -31.289 10.848 7 HA SER 0 HA SER 0 -5.053 -29.735 12.825 8 HB2 SER 0 2HB SER 0 -4.510 -29.866 9.837 9 HB3 SER 0 3HB SER 0 -3.384 -29.304 11.088 10 HG SER 0 HG SER 0 -3.019 -31.504 10.512 11 H GLN 1 H GLN 1 -4.398 -27.564 12.858 12 HA GLN 1 HA GLN 1 -5.948 -25.567 11.278 13 HB2 GLN 1 2HB GLN 1 -5.594 -25.584 14.306 14 HB3 GLN 1 3HB GLN 1 -6.225 -24.228 13.360 15 HG2 GLN 1 2HG GLN 1 -8.099 -25.671 12.560 16 HG3 GLN 1 3HG GLN 1 -7.513 -26.982 13.587 17 HE21 GLN 1 2HE2 GLN 1 -10.032 -26.407 14.117 18 HE22 GLN 1 1HE2 GLN 1 -10.183 -25.404 15.554 19 H ARG 2 H ARG 2 -5.008 -23.420 11.327 20 HA ARG 2 HA ARG 2 -2.071 -23.274 11.889 21 HB2 ARG 2 2HB ARG 2 -3.494 -22.487 9.312 22 HB3 ARG 2 3HB ARG 2 -1.869 -21.945 9.742 23 HG2 ARG 2 2HG ARG 2 -1.115 -24.318 9.895 24 HG3 ARG 2 3HG ARG 2 -2.725 -24.845 9.356 25 HD2 ARG 2 2HD ARG 2 -2.446 -23.565 7.260 26 HD3 ARG 2 3HD ARG 2 -0.839 -23.028 7.799 27 HE ARG 2 HE ARG 2 -0.904 -25.870 7.895 28 HH11 ARG 2 1HH1 ARG 2 -0.907 -23.378 5.432 29 HH12 ARG 2 2HH1 ARG 2 -0.151 -24.415 4.252 30 HH21 ARG 2 1HH2 ARG 2 0.055 -27.140 6.343 31 HH22 ARG 2 2HH2 ARG 2 0.374 -26.489 4.762 32 H ARG 3 H ARG 3 -1.229 -21.292 12.258 33 HA ARG 3 HA ARG 3 -3.035 -18.950 12.738 34 HB2 ARG 3 2HB ARG 3 -2.592 -20.391 14.816 35 HB3 ARG 3 3HB ARG 3 -0.913 -19.855 14.725 36 HG2 ARG 3 2HG ARG 3 -1.638 -17.511 15.070 37 HG3 ARG 3 3HG ARG 3 -3.333 -18.000 14.949 38 HD2 ARG 3 2HD ARG 3 -2.775 -17.678 17.282 39 HD3 ARG 3 3HD ARG 3 -3.083 -19.383 16.986 40 HE ARG 3 HE ARG 3 -0.875 -19.899 17.484 41 HH11 ARG 3 1HH1 ARG 3 -1.056 -16.406 17.222 42 HH12 ARG 3 2HH1 ARG 3 0.541 -16.188 17.885 43 HH21 ARG 3 1HH2 ARG 3 1.149 -19.544 18.311 44 HH22 ARG 3 2HH2 ARG 3 1.749 -17.922 18.482 45 H GLN 4 H GLN 4 -0.407 -20.053 11.144 46 HA GLN 4 HA GLN 4 1.569 -18.021 11.467 47 HB2 GLN 4 2HB GLN 4 1.062 -20.070 9.255 48 HB3 GLN 4 3HB GLN 4 2.480 -19.036 9.357 49 HG2 GLN 4 2HG GLN 4 3.227 -21.036 10.244 50 HG3 GLN 4 3HG GLN 4 2.961 -20.025 11.653 51 HE21 GLN 4 1HE2 GLN 4 3.187 -22.476 12.441 52 HE22 GLN 4 2HE2 GLN 4 1.644 -23.295 12.643 53 H ARG 5 H ARG 5 2.354 -16.593 9.825 54 HA ARG 5 HA ARG 5 2.175 -14.642 8.716 55 HB2 ARG 5 2HB ARG 5 2.104 -16.408 6.910 56 HB3 ARG 5 3HB ARG 5 0.359 -16.194 6.839 57 HG2 ARG 5 2HG ARG 5 1.277 -14.896 5.062 58 HG3 ARG 5 3HG ARG 5 0.773 -13.737 6.286 59 HD2 ARG 5 2HD ARG 5 3.232 -13.808 7.109 60 HD3 ARG 5 3HD ARG 5 3.588 -14.648 5.592 61 HE ARG 5 HE ARG 5 2.172 -12.414 4.779 62 HH11 ARG 5 1HH1 ARG 5 5.097 -12.697 6.724 63 HH12 ARG 5 2HH1 ARG 5 5.509 -11.027 6.445 64 HH21 ARG 5 1HH2 ARG 5 2.730 -10.405 4.524 65 HH22 ARG 5 2HH2 ARG 5 4.071 -9.692 5.394 66 H THR 6 H THR 6 1.062 -13.873 10.662 67 HA THR 6 HA THR 6 -1.708 -12.960 10.409 68 HB THR 6 HB THR 6 -1.113 -11.603 12.440 69 HG1 THR 6 1HG THR 6 0.896 -12.022 13.377 70 HG21 THR 6 1HG2 THR 6 -0.354 -14.554 12.643 71 HG22 THR 6 2HG2 THR 6 -2.012 -13.917 12.651 72 HG23 THR 6 3HG2 THR 6 -0.898 -13.500 13.965 73 H HIS 7 H HIS 7 1.337 -11.786 9.281 74 HA HIS 7 HA HIS 7 0.481 -8.997 8.897 75 HB2 HIS 7 2HB HIS 7 2.798 -9.725 9.530 76 HB3 HIS 7 3HB HIS 7 2.969 -10.448 7.939 77 HD2 HIS 7 2HD HIS 7 2.206 -6.942 9.508 78 HE1 HIS 7 1HE HIS 7 4.274 -6.272 5.841 79 HE2 HIS 7 2HE HIS 7 3.250 -5.151 7.880 80 H PHE 8 H PHE 8 1.429 -8.388 6.353 81 HA PHE 8 HA PHE 8 -0.952 -8.567 4.923 82 HB2 PHE 8 2HB PHE 8 1.806 -8.141 3.742 83 HB3 PHE 8 3HB PHE 8 0.285 -7.624 3.045 84 HD1 PHE 8 1HD PHE 8 -0.367 -6.651 6.297 85 HD2 PHE 8 2HD PHE 8 2.355 -5.772 3.062 86 HE1 PHE 8 1HE PHE 8 0.054 -4.416 7.251 87 HE2 PHE 8 2HE PHE 8 2.708 -3.507 3.988 88 HZ PHE 8 HZ PHE 8 1.595 -2.830 6.099 89 H THR 9 H THR 9 -1.738 -9.706 3.147 90 HA THR 9 HA THR 9 -0.603 -12.396 2.718 91 HB THR 9 HB THR 9 -3.033 -12.053 2.984 92 HG1 THR 9 1HG THR 9 -3.499 -13.567 1.433 93 HG21 THR 9 1HG2 THR 9 -2.944 -10.965 0.131 94 HG22 THR 9 2HG2 THR 9 -3.376 -10.032 1.582 95 HG23 THR 9 3HG2 THR 9 -4.393 -11.379 1.069 96 H SER 10 H SER 10 -0.368 -13.284 0.485 97 HA SER 10 HA SER 10 1.775 -12.036 -0.807 98 HB2 SER 10 2HB SER 10 -0.144 -14.076 -1.993 99 HB3 SER 10 3HB SER 10 1.509 -13.734 -2.544 100 HG SER 10 HG SER 10 1.420 -15.557 -1.140 101 H GLN 11 H GLN 11 -1.684 -11.758 -1.653 102 HA GLN 11 HA GLN 11 -1.264 -10.353 -4.148 103 HB2 GLN 11 2HB GLN 11 -3.654 -10.424 -2.259 104 HB3 GLN 11 3HB GLN 11 -3.651 -9.687 -3.868 105 HG2 GLN 11 2HG GLN 11 -3.075 -11.884 -4.882 106 HG3 GLN 11 3HG GLN 11 -3.128 -12.639 -3.288 107 HE21 GLN 11 1HE2 GLN 11 -4.739 -13.876 -4.967 108 HE22 GLN 11 2HE2 GLN 11 -6.413 -13.381 -4.752 109 H GLN 12 H GLN 12 -1.650 -9.217 -0.773 110 HA GLN 12 HA GLN 12 -1.686 -6.380 -1.423 111 HB2 GLN 12 2HB GLN 12 -1.065 -7.923 1.125 112 HB3 GLN 12 3HB GLN 12 -1.112 -6.164 1.033 113 HG2 GLN 12 2HG GLN 12 -3.451 -6.160 0.439 114 HG3 GLN 12 3HG GLN 12 -3.494 -7.914 0.287 115 HE21 GLN 12 1HE2 GLN 12 -4.922 -5.894 2.163 116 HE22 GLN 12 2HE2 GLN 12 -4.684 -6.652 3.734 117 H LEU 13 H LEU 13 0.869 -8.711 -0.482 118 HA LEU 13 HA LEU 13 3.062 -6.853 -0.531 119 HB2 LEU 13 2HB LEU 13 2.923 -9.857 -1.016 120 HB3 LEU 13 3HB LEU 13 4.426 -8.960 -0.859 121 HG LEU 13 HG LEU 13 2.317 -9.132 1.342 122 HD11 LEU 13 1HD1 LEU 13 3.325 -11.327 0.873 123 HD12 LEU 13 2HD1 LEU 13 3.908 -10.688 2.412 124 HD13 LEU 13 3HD1 LEU 13 4.954 -10.618 0.980 125 HD21 LEU 13 3HD2 LEU 13 3.722 -7.125 1.551 126 HD22 LEU 13 1HD2 LEU 13 5.190 -8.115 1.350 127 HD23 LEU 13 2HD2 LEU 13 4.161 -8.310 2.786 128 H GLN 14 H GLN 14 1.670 -8.899 -3.145 129 HA GLN 14 HA GLN 14 3.534 -8.107 -5.157 130 HB2 GLN 14 2HB GLN 14 2.061 -10.086 -5.271 131 HB3 GLN 14 3HB GLN 14 0.645 -9.038 -5.432 132 HG2 GLN 14 2HG GLN 14 1.521 -8.163 -7.576 133 HG3 GLN 14 3HG GLN 14 2.988 -9.131 -7.386 134 HE21 GLN 14 1HE2 GLN 14 2.743 -11.551 -7.465 135 HE22 GLN 14 2HE2 GLN 14 1.366 -12.206 -8.339 136 H GLU 15 H GLU 15 0.329 -6.693 -4.261 137 HA GLU 15 HA GLU 15 0.415 -4.578 -6.211 138 HB2 GLU 15 2HB GLU 15 -1.020 -4.887 -3.550 139 HB3 GLU 15 3HB GLU 15 -1.217 -3.467 -4.572 140 HG2 GLU 15 2HG GLU 15 -1.799 -6.302 -5.528 141 HG3 GLU 15 3HG GLU 15 -3.000 -5.231 -4.820 142 H LEU 16 H LEU 16 1.670 -4.704 -2.838 143 HA LEU 16 HA LEU 16 2.577 -1.968 -2.845 144 HB2 LEU 16 2HB LEU 16 3.066 -4.408 -1.147 145 HB3 LEU 16 3HB LEU 16 4.113 -3.016 -0.951 146 HG LEU 16 HG LEU 16 1.107 -2.650 -0.866 147 HD11 LEU 16 1HD1 LEU 16 1.290 -2.808 1.612 148 HD12 LEU 16 2HD1 LEU 16 2.981 -3.329 1.449 149 HD13 LEU 16 3HD1 LEU 16 1.665 -4.351 0.832 150 HD21 LEU 16 3HD2 LEU 16 2.491 -0.612 -1.070 151 HD22 LEU 16 1HD2 LEU 16 3.432 -1.098 0.354 152 HD23 LEU 16 2HD2 LEU 16 1.710 -0.704 0.516 153 H GLU 17 H GLU 17 4.261 -5.017 -3.801 154 HA GLU 17 HA GLU 17 6.745 -3.676 -4.380 155 HB2 GLU 17 2HB GLU 17 6.498 -6.151 -4.085 156 HB3 GLU 17 3HB GLU 17 5.628 -6.222 -5.614 157 HG2 GLU 17 2HG GLU 17 7.939 -6.885 -5.949 158 HG3 GLU 17 3HG GLU 17 7.624 -5.393 -6.823 159 H ALA 18 H ALA 18 3.896 -4.426 -6.477 160 HA ALA 18 HA ALA 18 4.942 -3.240 -8.852 161 HB1 ALA 18 1HB ALA 18 2.574 -3.156 -9.547 162 HB2 ALA 18 2HB ALA 18 2.962 -4.711 -8.787 163 HB3 ALA 18 3HB ALA 18 2.059 -3.480 -7.878 164 H THR 19 H THR 19 3.071 -1.797 -6.162 165 HA THR 19 HA THR 19 2.968 0.906 -7.072 166 HB THR 19 HB THR 19 3.084 -0.274 -4.271 167 HG1 THR 19 1HG THR 19 1.290 -0.906 -5.316 168 HG21 THR 19 1HG2 THR 19 2.052 1.750 -3.468 169 HG22 THR 19 2HG2 THR 19 2.208 2.523 -5.071 170 HG23 THR 19 3HG2 THR 19 3.654 2.117 -4.110 171 H PHE 20 H PHE 20 5.441 -0.723 -5.006 172 HA PHE 20 HA PHE 20 7.132 1.521 -4.665 173 HB2 PHE 20 2HB PHE 20 7.206 -0.529 -3.308 174 HB3 PHE 20 3HB PHE 20 7.756 -1.459 -4.687 175 HD1 PHE 20 1HD PHE 20 8.716 1.545 -2.625 176 HD2 PHE 20 2HD PHE 20 10.069 -1.806 -4.979 177 HE1 PHE 20 1HE PHE 20 11.063 2.035 -1.975 178 HE2 PHE 20 2HE PHE 20 12.416 -1.292 -4.354 179 HZ PHE 20 HZ PHE 20 12.917 0.618 -2.842 180 H GLN 21 H GLN 21 7.249 -1.029 -7.224 181 HA GLN 21 HA GLN 21 9.599 0.161 -8.447 182 HB2 GLN 21 2HB GLN 21 7.650 -1.936 -9.474 183 HB3 GLN 21 3HB GLN 21 9.167 -1.503 -10.262 184 HG2 GLN 21 2HG GLN 21 8.924 -2.691 -7.461 185 HG3 GLN 21 3HG GLN 21 9.340 -3.577 -8.914 186 HE21 GLN 21 1HE2 GLN 21 10.990 -3.766 -6.796 187 HE22 GLN 21 2HE2 GLN 21 12.495 -2.882 -7.138 188 H ARG 22 H ARG 22 6.105 0.424 -9.162 189 HA ARG 22 HA ARG 22 6.488 1.950 -11.611 190 HB2 ARG 22 2HB ARG 22 4.509 0.537 -11.079 191 HB3 ARG 22 3HB ARG 22 4.039 1.686 -9.815 192 HG2 ARG 22 2HG ARG 22 3.779 3.462 -11.531 193 HG3 ARG 22 3HG ARG 22 4.284 2.330 -12.793 194 HD2 ARG 22 2HD ARG 22 1.836 2.026 -10.996 195 HD3 ARG 22 3HD ARG 22 1.796 2.658 -12.635 196 HE ARG 22 HE ARG 22 2.056 -0.142 -11.802 197 HH11 ARG 22 1HH2 ARG 22 2.486 2.005 -14.542 198 HH12 ARG 22 2HH2 ARG 22 2.409 0.697 -15.690 199 HH21 ARG 22 1HH1 ARG 22 1.968 -1.754 -13.320 200 HH22 ARG 22 2HH1 ARG 22 2.122 -1.370 -15.009 201 H ASN 23 H ASN 23 5.995 2.850 -8.221 202 HA ASN 23 HA ASN 23 6.552 5.705 -8.892 203 HB2 ASN 23 2HB ASN 23 4.074 5.138 -8.658 204 HB3 ASN 23 3HB ASN 23 4.386 4.775 -6.961 205 HD21 ASN 23 1HD2 ASN 23 5.621 6.654 -5.796 206 HD22 ASN 23 2HD2 ASN 23 5.050 8.283 -6.201 207 H ARG 24 H ARG 24 8.720 4.799 -8.258 208 HA ARG 24 HA ARG 24 9.418 4.127 -5.579 209 HB2 ARG 24 2HB ARG 24 11.023 5.497 -7.781 210 HB3 ARG 24 3HB ARG 24 11.716 4.977 -6.238 211 HG2 ARG 24 2HG ARG 24 11.102 2.650 -6.677 212 HG3 ARG 24 3HG ARG 24 10.334 3.110 -8.213 213 HD2 ARG 24 2HD ARG 24 12.506 3.890 -9.069 214 HD3 ARG 24 3HD ARG 24 13.283 3.428 -7.538 215 HE ARG 24 HE ARG 24 11.978 1.119 -8.414 216 HH11 ARG 24 1HH2 ARG 24 14.531 3.110 -9.760 217 HH12 ARG 24 2HH2 ARG 24 15.205 1.777 -10.660 218 HH21 ARG 24 1HH1 ARG 24 12.859 -0.505 -9.558 219 HH22 ARG 24 2HH1 ARG 24 14.281 -0.231 -10.544 220 H TYR 25 H TYR 25 10.252 5.295 -3.879 221 HA TYR 25 HA TYR 25 9.987 6.831 -2.234 222 HB2 TYR 25 2HB TYR 25 10.714 8.852 -4.369 223 HB3 TYR 25 3HB TYR 25 10.906 9.024 -2.633 224 HD1 TYR 25 1HD TYR 25 12.588 7.579 -1.401 225 HD2 TYR 25 2HD TYR 25 12.362 7.740 -5.709 226 HE1 TYR 25 1HE TYR 25 14.902 6.672 -1.556 227 HE2 TYR 25 2HE TYR 25 14.678 6.823 -5.860 228 HH TYR 25 HH TYR 25 16.622 6.099 -2.941 229 HA PRO 26 HA PRO 26 5.714 8.040 -3.819 230 HB2 PRO 26 2HB PRO 26 4.140 6.573 -2.119 231 HB3 PRO 26 3HB PRO 26 4.825 5.937 -3.644 232 HG2 PRO 26 2HG PRO 26 5.916 5.601 -0.836 233 HG3 PRO 26 3HG PRO 26 5.696 4.355 -2.103 234 HD2 PRO 26 2HD PRO 26 8.104 5.542 -1.657 235 HD3 PRO 26 3HD PRO 26 7.567 5.101 -3.305 236 H ASP 27 H ASP 27 4.489 9.672 -3.082 237 HA ASP 27 HA ASP 27 5.162 11.111 -0.659 238 HB2 ASP 27 2HB ASP 27 4.482 12.221 -2.755 239 HB3 ASP 27 3HB ASP 27 2.903 11.435 -2.678 240 H MET 28 H MET 28 3.708 11.567 1.120 241 HA MET 28 HA MET 28 2.574 9.252 2.274 242 HB2 MET 28 2HB MET 28 2.068 12.167 3.001 243 HB3 MET 28 3HB MET 28 1.763 10.767 4.033 244 HG2 MET 28 2HG MET 28 4.464 11.710 3.011 245 HG3 MET 28 3HG MET 28 3.865 11.862 4.652 246 HE1 MET 28 3HE MET 28 6.688 10.806 4.100 247 HE2 MET 28 1HE MET 28 6.904 9.058 3.863 248 HE3 MET 28 2HE MET 28 6.279 10.062 2.535 249 H SER 29 H SER 29 0.919 11.775 0.332 250 HA SER 29 HA SER 29 -1.759 10.780 0.905 251 HB2 SER 29 2HB SER 29 -0.691 12.434 -1.412 252 HB3 SER 29 3HB SER 29 -2.402 12.082 -1.106 253 HG SER 29 HG SER 29 -1.719 14.117 -0.227 254 H THR 30 H THR 30 0.718 9.987 -1.560 255 HA THR 30 HA THR 30 -0.946 8.173 -3.084 256 HB THR 30 HB THR 30 2.085 8.153 -2.798 257 HG1 THR 30 1HG THR 30 1.951 9.401 -4.732 258 HG21 THR 30 1HG2 THR 30 0.242 7.113 -4.995 259 HG22 THR 30 2HG2 THR 30 1.218 6.120 -3.891 260 HG23 THR 30 3HG2 THR 30 2.020 7.163 -5.070 261 H ARG 31 H ARG 31 1.381 7.704 -0.381 262 HA ARG 31 HA ARG 31 1.015 4.886 -0.056 263 HB2 ARG 31 2HB ARG 31 1.594 6.986 2.084 264 HB3 ARG 31 3HB ARG 31 1.786 5.245 2.284 265 HG2 ARG 31 2HG ARG 31 3.521 5.225 0.494 266 HG3 ARG 31 3HG ARG 31 3.331 6.960 0.303 267 HD2 ARG 31 2HD ARG 31 3.873 7.129 2.834 268 HD3 ARG 31 3HD ARG 31 4.443 5.458 2.678 269 HE ARG 31 HE ARG 31 5.461 7.518 0.772 270 HH11 ARG 31 1HH1 ARG 31 6.341 5.645 3.609 271 HH12 ARG 31 2HH1 ARG 31 8.035 5.967 3.364 272 HH21 ARG 31 1HH2 ARG 31 7.495 7.892 0.550 273 HH22 ARG 31 2HH2 ARG 31 8.696 7.235 1.650 274 H GLU 32 H GLU 32 -0.926 7.575 1.300 275 HA GLU 32 HA GLU 32 -2.671 5.853 2.803 276 HB2 GLU 32 2HB GLU 32 -2.327 8.302 3.192 277 HB3 GLU 32 3HB GLU 32 -3.195 8.644 1.686 278 HG2 GLU 32 2HG GLU 32 -5.202 7.469 2.653 279 HG3 GLU 32 3HG GLU 32 -4.320 7.283 4.169 280 H GLU 33 H GLU 33 -2.983 7.188 -0.545 281 HA GLU 33 HA GLU 33 -5.568 6.038 -1.042 282 HB2 GLU 33 2HB GLU 33 -3.297 6.853 -2.885 283 HB3 GLU 33 3HB GLU 33 -4.815 6.195 -3.485 284 HG2 GLU 33 2HG GLU 33 -4.653 8.680 -1.732 285 HG3 GLU 33 3HG GLU 33 -4.660 8.708 -3.489 286 H ILE 34 H ILE 34 -2.266 4.675 -1.722 287 HA ILE 34 HA ILE 34 -3.421 2.224 -2.711 288 HB ILE 34 HB ILE 34 -1.236 1.274 -2.737 289 HG12 ILE 34 2HG1 ILE 34 0.736 2.875 -2.108 290 HG13 ILE 34 3HG1 ILE 34 -0.414 3.613 -1.019 291 HG21 ILE 34 1HG2 ILE 34 -1.064 4.177 -3.619 292 HG22 ILE 34 2HG2 ILE 34 -0.196 2.787 -4.288 293 HG23 ILE 34 3HG2 ILE 34 -1.947 2.903 -4.490 294 HD11 ILE 34 3HD1 ILE 34 1.147 1.789 -0.112 295 HD12 ILE 34 1HD1 ILE 34 -0.558 1.635 0.316 296 HD13 ILE 34 2HD1 ILE 34 0.137 0.622 -0.978 297 H ALA 35 H ALA 35 -2.756 3.281 0.582 298 HA ALA 35 HA ALA 35 -2.961 0.702 1.835 299 HB1 ALA 35 1HB ALA 35 -3.704 3.430 2.961 300 HB2 ALA 35 2HB ALA 35 -3.363 1.952 3.870 301 HB3 ALA 35 3HB ALA 35 -2.071 2.730 2.949 302 H VAL 36 H VAL 36 -5.544 3.144 1.023 303 HA VAL 36 HA VAL 36 -7.621 1.365 2.004 304 HB VAL 36 HB VAL 36 -9.250 2.828 0.967 305 HG11 VAL 36 1HG1 VAL 36 -7.113 4.362 2.492 306 HG12 VAL 36 2HG1 VAL 36 -8.829 4.786 2.346 307 HG13 VAL 36 3HG1 VAL 36 -8.356 3.315 3.220 308 HG21 VAL 36 3HG2 VAL 36 -7.957 3.608 -1.026 309 HG22 VAL 36 1HG2 VAL 36 -8.675 4.922 -0.089 310 HG23 VAL 36 2HG2 VAL 36 -6.945 4.580 0.063 311 H TRP 37 H TRP 37 -6.117 1.739 -1.202 312 HA TRP 37 HA TRP 37 -7.974 0.002 -2.561 313 HB2 TRP 37 2HB TRP 37 -5.093 0.651 -3.207 314 HB3 TRP 37 3HB TRP 37 -6.248 -0.082 -4.312 315 HD1 TRP 37 1HD TRP 37 -8.343 2.345 -2.922 316 HE1 TRP 37 1HE TRP 37 -8.234 4.677 -3.984 317 HE3 TRP 37 3HE TRP 37 -4.011 1.786 -5.568 318 HZ2 TRP 37 2HZ TRP 37 -6.540 6.072 -5.873 319 HZ3 TRP 37 3HZ TRP 37 -3.160 3.640 -6.991 320 HH2 TRP 37 2HH TRP 37 -4.411 5.780 -7.151 321 H THR 38 H THR 38 -4.954 -0.701 -0.794 322 HA THR 38 HA THR 38 -5.179 -3.604 -1.339 323 HB THR 38 HB THR 38 -3.168 -3.797 0.108 324 HG1 THR 38 1HG THR 38 -3.093 -0.980 -0.014 325 HG21 THR 38 1HG2 THR 38 -2.902 -3.547 -2.319 326 HG22 THR 38 2HG2 THR 38 -1.584 -2.761 -1.432 327 HG23 THR 38 3HG2 THR 38 -2.879 -1.779 -2.154 328 H ASN 39 H ASN 39 -6.684 -1.564 0.799 329 HA ASN 39 HA ASN 39 -7.707 -1.671 2.758 330 HB2 ASN 39 2HB ASN 39 -8.882 -3.513 1.437 331 HB3 ASN 39 3HB ASN 39 -7.968 -4.677 2.394 332 HD21 ASN 39 1HD2 ASN 39 -8.187 -4.290 4.879 333 HD22 ASN 39 2HD2 ASN 39 -9.826 -3.906 5.423 334 H LEU 40 H LEU 40 -5.310 -1.186 3.183 335 HA LEU 40 HA LEU 40 -4.404 -2.692 5.599 336 HB2 LEU 40 2HB LEU 40 -2.778 -1.356 3.390 337 HB3 LEU 40 3HB LEU 40 -2.091 -1.860 4.926 338 HG LEU 40 HG LEU 40 -3.337 -3.736 2.871 339 HD11 LEU 40 1HD1 LEU 40 -0.984 -4.501 2.622 340 HD12 LEU 40 2HD1 LEU 40 -0.462 -3.214 3.721 341 HD13 LEU 40 3HD1 LEU 40 -1.188 -2.804 2.158 342 HD21 LEU 40 3HD2 LEU 40 -3.662 -4.702 5.065 343 HD22 LEU 40 1HD2 LEU 40 -2.032 -4.220 5.581 344 HD23 LEU 40 2HD2 LEU 40 -2.247 -5.489 4.360 345 H THR 41 H THR 41 -3.020 -1.333 7.009 346 HA THR 41 HA THR 41 -4.313 1.259 7.590 347 HB THR 41 HB THR 41 -1.989 0.093 9.125 348 HG1 THR 41 1HG THR 41 -4.709 -0.661 9.303 349 HG21 THR 41 1HG2 THR 41 -4.424 1.705 9.987 350 HG22 THR 41 2HG2 THR 41 -2.774 2.336 9.794 351 HG23 THR 41 3HG2 THR 41 -3.117 1.133 11.047 352 H GLU 42 H GLU 42 -3.398 3.246 7.121 353 HA GLU 42 HA GLU 42 -1.246 3.352 5.291 354 HB2 GLU 42 2HB GLU 42 -1.417 5.736 5.419 355 HB3 GLU 42 3HB GLU 42 -3.016 5.011 5.351 356 HG2 GLU 42 2HG GLU 42 -3.415 5.431 7.703 357 HG3 GLU 42 3HG GLU 42 -1.738 5.909 7.970 358 H ALA 43 H ALA 43 -1.048 3.507 8.808 359 HA ALA 43 HA ALA 43 1.735 4.413 8.824 360 HB1 ALA 43 1HB ALA 43 0.010 3.124 10.992 361 HB2 ALA 43 2HB ALA 43 1.584 3.913 11.233 362 HB3 ALA 43 3HB ALA 43 0.191 4.870 10.694 363 H ARG 44 H ARG 44 0.093 1.241 8.880 364 HA ARG 44 HA ARG 44 2.514 -0.354 9.220 365 HB2 ARG 44 2HB ARG 44 -0.232 -1.066 8.138 366 HB3 ARG 44 3HB ARG 44 1.099 -2.209 8.349 367 HG2 ARG 44 2HG ARG 44 1.224 -1.716 10.755 368 HG3 ARG 44 3HG ARG 44 -0.108 -0.553 10.610 369 HD2 ARG 44 2HD ARG 44 -1.603 -2.326 9.833 370 HD3 ARG 44 3HD ARG 44 -0.296 -3.507 9.898 371 HE ARG 44 HE ARG 44 -0.225 -3.358 12.292 372 HH11 ARG 44 1HH1 ARG 44 -3.110 -1.727 11.029 373 HH12 ARG 44 2HH1 ARG 44 -3.892 -1.829 12.580 374 HH21 ARG 44 1HH2 ARG 44 -1.319 -3.407 14.192 375 HH22 ARG 44 2HH2 ARG 44 -2.918 -2.737 14.300 376 H VAL 45 H VAL 45 0.748 0.918 6.429 377 HA VAL 45 HA VAL 45 2.488 -0.123 4.379 378 HB VAL 45 HB VAL 45 0.558 2.202 4.537 379 HG11 VAL 45 1HG1 VAL 45 2.243 2.903 2.897 380 HG12 VAL 45 2HG1 VAL 45 2.100 1.326 2.076 381 HG13 VAL 45 3HG1 VAL 45 0.730 2.470 2.121 382 HG21 VAL 45 3HG2 VAL 45 0.553 -0.453 3.023 383 HG22 VAL 45 1HG2 VAL 45 -0.384 -0.090 4.486 384 HG23 VAL 45 2HG2 VAL 45 -0.735 0.762 2.977 385 H ARG 46 H ARG 46 2.631 3.027 6.180 386 HA ARG 46 HA ARG 46 5.061 3.949 4.968 387 HB2 ARG 46 2HB ARG 46 3.758 4.412 7.667 388 HB3 ARG 46 3HB ARG 46 5.339 5.086 7.325 389 HG2 ARG 46 2HG ARG 46 4.462 6.335 5.396 390 HG3 ARG 46 3HG ARG 46 2.861 5.621 5.639 391 HD2 ARG 46 2HD ARG 46 2.915 6.593 8.012 392 HD3 ARG 46 3HD ARG 46 4.402 7.423 7.563 393 HE ARG 46 HE ARG 46 3.158 9.012 6.445 394 HH11 ARG 46 1HH1 ARG 46 1.038 6.185 6.634 395 HH12 ARG 46 2HH1 ARG 46 -0.379 7.244 6.495 396 HH21 ARG 46 1HH2 ARG 46 1.157 10.154 6.245 397 HH22 ARG 46 2HH2 ARG 46 -0.320 9.194 6.229 398 H VAL 47 H VAL 47 4.662 1.840 7.841 399 HA VAL 47 HA VAL 47 7.474 1.380 8.233 400 HB VAL 47 HB VAL 47 5.064 -0.317 8.961 401 HG11 VAL 47 1HG1 VAL 47 7.987 -0.710 9.757 402 HG12 VAL 47 2HG1 VAL 47 6.601 -1.509 10.532 403 HG13 VAL 47 3HG1 VAL 47 6.979 -1.852 8.845 404 HG21 VAL 47 3HG2 VAL 47 5.299 1.887 10.129 405 HG22 VAL 47 1HG2 VAL 47 5.519 0.519 11.225 406 HG23 VAL 47 2HG2 VAL 47 6.932 1.423 10.637 407 H TRP 48 H TRP 48 5.111 -0.374 6.122 408 HA TRP 48 HA TRP 48 6.936 -2.347 5.240 409 HB2 TRP 48 2HB TRP 48 4.486 -2.354 4.838 410 HB3 TRP 48 3HB TRP 48 4.699 -1.116 3.601 411 HD1 TRP 48 1HD TRP 48 5.100 -4.804 4.236 412 HE1 TRP 48 1HE TRP 48 5.798 -6.045 2.103 413 HE3 TRP 48 3HE TRP 48 6.045 -0.769 1.209 414 HZ2 TRP 48 2HZ TRP 48 6.752 -5.384 -0.536 415 HZ3 TRP 48 3HZ TRP 48 6.906 -1.115 -1.087 416 HH2 TRP 48 2HH TRP 48 7.272 -3.407 -1.972 417 H PHE 49 H PHE 49 6.380 0.940 3.799 418 HA PHE 49 HA PHE 49 8.335 0.545 1.732 419 HB2 PHE 49 2HB PHE 49 7.163 3.043 2.985 420 HB3 PHE 49 3HB PHE 49 8.358 3.104 1.695 421 HD1 PHE 49 1HD PHE 49 7.851 1.512 -0.400 422 HD2 PHE 49 2HD PHE 49 4.886 3.110 2.287 423 HE1 PHE 49 1HE PHE 49 6.101 1.201 -2.141 424 HE2 PHE 49 2HE PHE 49 3.154 2.828 0.530 425 HZ PHE 49 HZ PHE 49 3.749 1.846 -1.664 426 H LYS 50 H LYS 50 8.750 1.808 5.061 427 HA LYS 50 HA LYS 50 11.588 2.360 4.819 428 HB2 LYS 50 2HB LYS 50 9.828 1.650 7.206 429 HB3 LYS 50 3HB LYS 50 11.537 2.082 7.340 430 HG2 LYS 50 2HG LYS 50 11.134 4.283 6.387 431 HG3 LYS 50 3HG LYS 50 9.431 3.900 6.090 432 HD2 LYS 50 2HD LYS 50 9.052 3.596 8.512 433 HD3 LYS 50 3HD LYS 50 10.742 3.984 8.851 434 HE2 LYS 50 2HE LYS 50 8.765 5.865 7.473 435 HE3 LYS 50 3HE LYS 50 9.086 5.865 9.209 436 HZ1 LYS 50 3HZ LYS 50 11.121 6.429 7.118 437 HZ2 LYS 50 1HZ LYS 50 11.415 6.393 8.728 438 HZ3 LYS 50 2HZ LYS 50 10.432 7.532 8.102 439 H ASN 51 H ASN 51 9.825 -0.567 5.829 440 HA ASN 51 HA ASN 51 12.096 -2.218 6.322 441 HB2 ASN 51 2HB ASN 51 9.692 -2.539 7.067 442 HB3 ASN 51 3HB ASN 51 9.288 -3.024 5.421 443 HD21 ASN 51 1HD2 ASN 51 11.064 -3.900 8.351 444 HD22 ASN 51 2HD2 ASN 51 11.253 -5.591 7.914 445 H ARG 52 H ARG 52 10.193 -1.705 3.335 446 HA ARG 52 HA ARG 52 11.623 -3.529 1.680 447 HB2 ARG 52 2HB ARG 52 9.366 -2.621 1.184 448 HB3 ARG 52 3HB ARG 52 10.043 -1.004 0.988 449 HG2 ARG 52 2HG ARG 52 9.599 -2.005 -1.183 450 HG3 ARG 52 3HG ARG 52 11.330 -1.760 -0.984 451 HD2 ARG 52 2HD ARG 52 11.531 -4.209 -0.307 452 HD3 ARG 52 3HD ARG 52 9.803 -4.377 -0.628 453 HE ARG 52 HE ARG 52 10.206 -4.376 -2.900 454 HH11 ARG 52 1HH1 ARG 52 13.214 -3.355 -1.362 455 HH12 ARG 52 2HH1 ARG 52 14.125 -3.640 -2.821 456 HH21 ARG 52 1HH2 ARG 52 11.366 -4.604 -4.678 457 HH22 ARG 52 2HH2 ARG 52 13.109 -4.382 -4.665 458 H ARG 53 H ARG 53 12.195 -0.080 2.342 459 HA ARG 53 HA ARG 53 14.484 0.127 0.583 460 HB2 ARG 53 2HB ARG 53 13.045 2.039 1.313 461 HB3 ARG 53 3HB ARG 53 13.681 1.876 2.948 462 HG2 ARG 53 2HG ARG 53 14.755 3.710 1.744 463 HG3 ARG 53 3HG ARG 53 15.942 2.472 2.155 464 HD2 ARG 53 2HD ARG 53 15.868 1.606 -0.160 465 HD3 ARG 53 3HD ARG 53 14.605 2.788 -0.570 466 HE ARG 53 HE ARG 53 16.849 4.194 0.463 467 HH11 ARG 53 1HH1 ARG 53 16.097 2.323 -2.403 468 HH12 ARG 53 2HH1 ARG 53 17.263 3.176 -3.373 469 HH21 ARG 53 1HH2 ARG 53 18.354 5.201 -0.826 470 HH22 ARG 53 2HH2 ARG 53 18.547 4.708 -2.482 471 H ALA 54 H ALA 54 14.163 -0.944 3.943 472 HA ALA 54 HA ALA 54 17.035 -1.133 4.373 473 HB1 ALA 54 1HB ALA 54 15.410 -1.044 6.231 474 HB2 ALA 54 2HB ALA 54 14.740 -2.614 5.734 475 HB3 ALA 54 3HB ALA 54 16.416 -2.504 6.303 476 H LYS 55 H LYS 55 14.536 -3.541 3.378 477 HA LYS 55 HA LYS 55 16.282 -5.726 2.872 478 HB2 LYS 55 2HB LYS 55 13.537 -4.957 1.845 479 HB3 LYS 55 3HB LYS 55 14.336 -6.441 1.311 480 HG2 LYS 55 2HG LYS 55 14.500 -7.307 3.542 481 HG3 LYS 55 3HG LYS 55 13.957 -5.781 4.260 482 HD2 LYS 55 2HD LYS 55 11.745 -6.025 3.304 483 HD3 LYS 55 3HD LYS 55 12.232 -7.479 2.402 484 HE2 LYS 55 2HE LYS 55 12.563 -8.747 4.417 485 HE3 LYS 55 3HE LYS 55 12.461 -7.298 5.429 486 HZ1 LYS 55 3HZ LYS 55 10.389 -8.597 5.446 487 HZ2 LYS 55 1HZ LYS 55 10.178 -8.337 3.843 488 HZ3 LYS 55 2HZ LYS 55 10.166 -7.072 4.902 489 H TRP 56 H TRP 56 15.655 -2.967 0.801 490 HA TRP 56 HA TRP 56 16.868 -3.856 -1.615 491 HB2 TRP 56 2HB TRP 56 15.658 -1.800 -1.542 492 HB3 TRP 56 3HB TRP 56 16.624 -1.187 -0.217 493 HD1 TRP 56 1HD TRP 56 17.144 -2.078 -3.918 494 HE1 TRP 56 1HE TRP 56 18.847 -0.441 -4.944 495 HE3 TRP 56 3HE TRP 56 18.388 0.531 0.305 496 HZ2 TRP 56 2HZ TRP 56 20.581 1.674 -4.023 497 HZ3 TRP 56 3HZ TRP 56 20.095 2.331 0.211 498 HH2 TRP 56 2HH TRP 56 21.199 2.910 -1.939 499 H ARG 57 H ARG 57 18.429 -2.975 1.428 500 HA ARG 57 HA ARG 57 21.106 -3.542 0.186 501 HB2 ARG 57 2HB ARG 57 20.307 -1.067 1.142 502 HB3 ARG 57 3HB ARG 57 21.011 -1.773 2.583 503 HG2 ARG 57 2HG ARG 57 22.866 -0.763 1.664 504 HG3 ARG 57 3HG ARG 57 23.041 -2.363 0.953 505 HD2 ARG 57 2HD ARG 57 21.947 0.162 -0.349 506 HD3 ARG 57 3HD ARG 57 23.459 -0.667 -0.716 507 HE ARG 57 HE ARG 57 20.874 -2.104 -1.147 508 HH11 ARG 57 1HH1 ARG 57 23.557 -0.505 -2.744 509 HH12 ARG 57 2HH1 ARG 57 23.172 -1.243 -4.276 510 HH21 ARG 57 2HH2 ARG 57 20.463 -2.984 -3.024 511 HH22 ARG 57 1HH2 ARG 57 21.438 -2.636 -4.439 512 H LYS 58 H LYS 58 18.995 -4.626 2.581 513 HA LYS 58 HA LYS 58 20.661 -5.675 4.578 514 HB2 LYS 58 2HB LYS 58 18.132 -5.665 4.495 515 HB3 LYS 58 3HB LYS 58 18.218 -7.002 3.329 516 HG2 LYS 58 2HG LYS 58 19.406 -8.356 5.066 517 HG3 LYS 58 3HG LYS 58 19.181 -7.042 6.225 518 HD2 LYS 58 2HD LYS 58 16.755 -7.296 6.076 519 HD3 LYS 58 3HD LYS 58 16.905 -8.474 4.764 520 HE2 LYS 58 2HE LYS 58 17.987 -8.868 7.593 521 HE3 LYS 58 3HE LYS 58 16.447 -9.500 7.002 522 HZ1 LYS 58 3HZ LYS 58 17.706 -10.750 5.294 523 HZ2 LYS 58 1HZ LYS 58 18.127 -11.204 6.815 524 HZ3 LYS 58 2HZ LYS 58 19.119 -10.254 5.920 525 H ARG 59 H ARG 59 21.763 -7.602 4.907 526 HA ARG 59 HA ARG 59 22.654 -9.155 2.548 527 HB2 ARG 59 2HB ARG 59 23.332 -9.684 5.461 528 HB3 ARG 59 3HB ARG 59 24.159 -10.286 4.031 529 HG2 ARG 59 2HG ARG 59 24.169 -7.461 5.146 530 HG3 ARG 59 3HG ARG 59 25.505 -8.590 5.054 531 HD2 ARG 59 2HD ARG 59 26.134 -7.721 3.091 532 HD3 ARG 59 3HD ARG 59 24.636 -8.248 2.359 533 HE ARG 59 HE ARG 59 23.728 -6.082 2.567 534 HH11 ARG 59 1HH2 ARG 59 26.854 -6.104 4.176 535 HH12 ARG 59 2HH2 ARG 59 26.862 -4.369 4.341 536 HH21 ARG 59 1HH1 ARG 59 23.770 -3.961 2.875 537 HH22 ARG 59 2HH1 ARG 59 25.156 -3.165 3.600 538 H GLU 60 H GLU 60 21.846 -11.001 1.906 539 HA GLU 60 HA GLU 60 19.748 -12.399 3.523 540 HB2 GLU 60 2HB GLU 60 20.142 -12.113 0.525 541 HB3 GLU 60 3HB GLU 60 19.003 -13.249 1.242 542 HG2 GLU 60 2HG GLU 60 18.894 -10.244 1.753 543 HG3 GLU 60 3HG GLU 60 18.026 -11.054 0.456 544 H GLU 61 H GLU 61 19.579 -14.687 3.383 545 HA GLU 61 HA GLU 61 22.193 -16.022 3.473 546 HB2 GLU 61 2HB GLU 61 19.388 -17.002 4.121 547 HB3 GLU 61 3HB GLU 61 20.878 -17.915 4.388 548 HG2 GLU 61 2HG GLU 61 21.709 -16.104 5.893 549 HG3 GLU 61 3HG GLU 61 20.165 -15.267 5.714 550 H PHE 62 H PHE 62 20.245 -15.425 0.900 551 HA PHE 62 HA PHE 62 21.190 -17.801 -0.605 552 HB2 PHE 62 2HB PHE 62 18.835 -18.189 0.163 553 HB3 PHE 62 3HB PHE 62 18.340 -16.743 -0.706 554 HD1 PHE 62 2HD PHE 62 20.064 -20.055 -1.208 555 HD2 PHE 62 1HD PHE 62 17.644 -16.952 -2.975 556 HE1 PHE 62 2HE PHE 62 19.789 -21.432 -3.258 557 HE2 PHE 62 1HE PHE 62 17.366 -18.334 -5.018 558 HZ PHE 62 HZ PHE 62 18.438 -20.575 -5.165 559 H ILE 63 H ILE 63 21.106 -17.491 -2.947 560 HA ILE 63 HA ILE 63 22.335 -14.998 -3.692 561 HB ILE 63 HB ILE 63 22.464 -15.972 -5.946 562 HG12 ILE 63 2HG1 ILE 63 21.003 -18.396 -4.803 563 HG13 ILE 63 3HG1 ILE 63 20.288 -17.224 -5.910 564 HG21 ILE 63 1HG2 ILE 63 23.299 -17.957 -3.788 565 HG22 ILE 63 2HG2 ILE 63 24.054 -17.704 -5.375 566 HG23 ILE 63 3HG2 ILE 63 24.144 -16.437 -4.152 567 HD11 ILE 63 3HD1 ILE 63 22.017 -17.805 -7.617 568 HD12 ILE 63 1HD1 ILE 63 22.610 -19.085 -6.529 569 HD13 ILE 63 2HD1 ILE 63 20.961 -19.159 -7.166 570 H VAL 64 H VAL 64 21.766 -13.611 -5.461 571 HA VAL 64 HA VAL 64 18.970 -12.758 -5.456 572 HB VAL 64 HB VAL 64 21.277 -11.764 -7.172 573 HG11 VAL 64 1HG1 VAL 64 19.887 -9.710 -7.361 574 HG12 VAL 64 2HG1 VAL 64 19.085 -11.101 -8.082 575 HG13 VAL 64 3HG1 VAL 64 18.573 -10.519 -6.481 576 HG21 VAL 64 3HG2 VAL 64 21.807 -11.427 -4.787 577 HG22 VAL 64 1HG2 VAL 64 21.389 -9.888 -5.538 578 HG23 VAL 64 2HG2 VAL 64 20.199 -10.721 -4.511 579 H THR 65 H THR 65 17.420 -13.169 -6.962 580 HA THR 65 HA THR 65 17.955 -15.409 -8.792 581 HB THR 65 HB THR 65 15.453 -15.607 -8.786 582 HG1 THR 65 1HG THR 65 14.357 -14.401 -7.235 583 HG21 THR 65 1HG2 THR 65 15.304 -16.478 -6.512 584 HG22 THR 65 2HG2 THR 65 16.755 -15.574 -6.026 585 HG23 THR 65 3HG2 THR 65 16.878 -16.892 -7.211 586 H ASP 66 H ASP 66 17.935 -12.161 -9.348 587 HA ASP 66 HA ASP 66 17.123 -12.507 -12.190 588 HB2 ASP 66 2HB ASP 66 15.887 -10.526 -12.260 589 HB3 ASP 66 3HB ASP 66 15.273 -11.423 -10.888
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