NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10572 | 1pzq | 5885 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 8.693 25.134 -3.396 2 2H GLY 1 HT2 GLY 1 8.783 23.566 -2.768 3 3H GLY 1 HT3 GLY 1 9.874 24.748 -2.248 4 1HA GLY 1 HA1 GLY 1 8.503 25.010 -0.522 5 2HA GLY 1 HA2 GLY 1 7.546 25.935 -1.669 6 H SER 2 HN SER 2 6.540 23.922 -3.273 7 HA SER 2 HA SER 2 4.328 23.049 -1.784 8 1HB SER 2 HB2 SER 2 4.229 23.362 -4.210 9 2HB SER 2 HB1 SER 2 5.359 22.028 -4.442 10 HG SER 2 HG SER 2 2.769 21.856 -3.292 11 H ALA 3 HN ALA 3 3.886 21.229 -0.677 12 HA ALA 3 HA ALA 3 5.967 19.569 0.224 13 1HB ALA 3 HB1 ALA 3 4.025 19.924 1.589 14 2HB ALA 3 HB2 ALA 3 4.148 18.203 1.223 15 3HB ALA 3 HB3 ALA 3 2.978 19.206 0.365 16 H ALA 4 HN ALA 4 6.729 17.638 -0.430 17 HA ALA 4 HA ALA 4 5.338 15.802 -2.063 18 1HB ALA 4 HB1 ALA 4 6.442 16.043 -4.166 19 2HB ALA 4 HB2 ALA 4 7.506 17.297 -3.530 20 3HB ALA 4 HB3 ALA 4 5.784 17.620 -3.730 21 H SER 5 HN SER 5 8.035 15.216 -3.467 22 HA SER 5 HA SER 5 9.859 13.903 -3.135 23 1HB SER 5 HB2 SER 5 9.756 14.996 -0.314 24 2HB SER 5 HB1 SER 5 11.119 14.142 -1.034 25 HG SER 5 HG SER 5 11.388 15.828 -2.477 26 HA PRO 6 HA PRO 6 7.858 10.222 -1.615 27 1HB PRO 6 HB2 PRO 6 10.279 8.783 -2.359 28 2HB PRO 6 HB1 PRO 6 8.668 8.688 -3.065 29 1HG PRO 6 HG1 PRO 6 10.779 9.787 -4.369 30 2HG PRO 6 HG2 PRO 6 9.106 10.312 -4.627 31 1HD PRO 6 HD1 PRO 6 11.263 11.586 -2.988 32 2HD PRO 6 HD2 PRO 6 10.042 12.345 -4.034 33 H ALA 7 HN ALA 7 9.037 8.078 -0.536 34 HA ALA 7 HA ALA 7 9.605 7.309 1.549 35 1HB ALA 7 HB1 ALA 7 11.769 7.018 1.079 36 2HB ALA 7 HB2 ALA 7 12.046 8.463 2.053 37 3HB ALA 7 HB3 ALA 7 11.906 8.595 0.300 38 H VAL 8 HN VAL 8 7.885 9.393 1.774 39 HA VAL 8 HA VAL 8 8.792 11.293 3.693 40 HB VAL 8 HB VAL 8 7.013 11.915 2.161 41 1HG1 VAL 8 HG11 VAL 8 5.273 9.910 3.580 42 2HG1 VAL 8 HG12 VAL 8 6.026 9.628 2.010 43 3HG1 VAL 8 HG13 VAL 8 4.843 10.921 2.200 44 1HG2 VAL 8 HG21 VAL 8 6.753 12.056 5.062 45 2HG2 VAL 8 HG22 VAL 8 5.233 12.299 4.203 46 3HG2 VAL 8 HG23 VAL 8 6.621 13.327 3.847 47 H ASP 9 HN ASP 9 9.633 9.176 4.728 48 HA ASP 9 HA ASP 9 9.717 7.988 6.642 49 1HB ASP 9 HB1 ASP 9 7.031 9.249 7.201 50 2HB ASP 9 HB2 ASP 9 7.905 8.230 8.341 51 H ILE 10 HN ILE 10 7.892 7.773 4.126 52 HA ILE 10 HA ILE 10 6.733 6.323 2.968 53 HB ILE 10 HB ILE 10 8.916 5.150 3.704 54 1HG1 ILE 10 HG11 ILE 10 8.335 3.375 2.195 55 2HG1 ILE 10 HG12 ILE 10 6.621 3.664 2.451 56 1HG2 ILE 10 HG21 ILE 10 8.816 3.456 5.143 57 2HG2 ILE 10 HG22 ILE 10 7.242 2.918 4.554 58 3HG2 ILE 10 HG23 ILE 10 7.346 4.243 5.712 59 1HD1 ILE 10 HD11 ILE 10 7.404 4.605 0.329 60 2HD1 ILE 10 HD12 ILE 10 8.556 5.613 1.212 61 3HD1 ILE 10 HD13 ILE 10 6.818 5.857 1.433 62 H GLY 11 HN GLY 11 6.447 5.304 6.384 63 1HA GLY 11 HA2 GLY 11 3.970 4.002 6.006 64 2HA GLY 11 HA1 GLY 11 4.606 4.544 7.541 65 H ASP 12 HN ASP 12 4.876 7.181 5.905 66 HA ASP 12 HA ASP 12 2.516 8.330 6.977 67 1HB ASP 12 HB2 ASP 12 4.530 9.677 6.837 68 2HB ASP 12 HB1 ASP 12 4.659 9.393 5.094 69 H ARG 13 HN ARG 13 3.615 7.239 3.879 70 HA ARG 13 HA ARG 13 1.457 8.221 2.311 71 1HB ARG 13 HB2 ARG 13 3.543 6.063 1.980 72 2HB ARG 13 HB1 ARG 13 2.443 6.548 0.705 73 1HG ARG 13 HG2 ARG 13 3.328 8.851 0.883 74 2HG ARG 13 HG1 ARG 13 4.471 8.262 2.090 75 1HD ARG 13 HD2 ARG 13 5.590 6.913 0.525 76 2HD ARG 13 HD1 ARG 13 4.312 7.107 -0.668 77 HE ARG 13 HE ARG 13 6.543 8.768 -0.368 78 1HH1 ARG 13 HH11 ARG 13 3.090 9.034 -0.806 79 2HH1 ARG 13 HH12 ARG 13 3.179 10.585 -1.569 80 1HH2 ARG 13 HH21 ARG 13 6.658 10.815 -1.369 81 2HH2 ARG 13 HH22 ARG 13 5.202 11.595 -1.891 82 H LEU 14 HN LEU 14 2.415 5.183 3.613 83 HA LEU 14 HA LEU 14 0.359 3.479 2.890 84 1HB LEU 14 HB2 LEU 14 2.306 3.762 5.125 85 2HB LEU 14 HB1 LEU 14 1.235 2.396 5.102 86 HG LEU 14 HG LEU 14 2.761 2.915 2.623 87 1HD1 LEU 14 HD11 LEU 14 4.659 1.570 3.783 88 2HD1 LEU 14 HD12 LEU 14 3.984 2.280 5.255 89 3HD1 LEU 14 HD13 LEU 14 4.569 3.330 3.950 90 1HD2 LEU 14 HD21 LEU 14 2.100 0.449 4.219 91 2HD2 LEU 14 HD22 LEU 14 2.959 0.459 2.677 92 3HD2 LEU 14 HD23 LEU 14 1.285 1.016 2.762 93 H ASP 15 HN ASP 15 0.845 5.238 5.911 94 HA ASP 15 HA ASP 15 -1.378 4.460 7.323 95 1HB ASP 15 HB1 ASP 15 0.591 5.961 8.029 96 2HB ASP 15 HB2 ASP 15 -0.341 7.290 7.352 97 H GLU 16 HN GLU 16 -1.026 7.250 5.189 98 HA GLU 16 HA GLU 16 -3.681 8.125 5.353 99 1HB GLU 16 HB2 GLU 16 -1.683 8.563 3.141 100 2HB GLU 16 HB1 GLU 16 -3.156 9.490 3.388 101 1HG GLU 16 HG2 GLU 16 -2.286 10.202 5.584 102 2HG GLU 16 HG1 GLU 16 -0.787 9.356 5.231 103 H LEU 17 HN LEU 17 -2.127 5.723 3.447 104 HA LEU 17 HA LEU 17 -4.055 5.479 1.391 105 1HB LEU 17 HB1 LEU 17 -1.657 4.641 1.351 106 2HB LEU 17 HB2 LEU 17 -2.165 3.362 2.424 107 HG LEU 17 HG LEU 17 -3.402 2.271 0.789 108 1HD1 LEU 17 HD11 LEU 17 -3.238 4.497 -1.184 109 2HD1 LEU 17 HD12 LEU 17 -4.462 4.544 0.086 110 3HD1 LEU 17 HD13 LEU 17 -4.420 3.194 -1.049 111 1HD2 LEU 17 HD21 LEU 17 -1.266 1.792 0.134 112 2HD2 LEU 17 HD22 LEU 17 -0.889 3.471 -0.257 113 3HD2 LEU 17 HD23 LEU 17 -1.894 2.514 -1.348 114 H GLU 18 HN GLU 18 -3.480 3.787 4.380 115 HA GLU 18 HA GLU 18 -5.605 1.942 4.168 116 1HB GLU 18 HB2 GLU 18 -3.686 1.647 5.700 117 2HB GLU 18 HB1 GLU 18 -4.226 3.045 6.619 118 1HG GLU 18 HG2 GLU 18 -4.876 1.096 7.787 119 2HG GLU 18 HG1 GLU 18 -6.327 1.832 7.119 120 H LYS 19 HN LYS 19 -5.245 5.083 5.638 121 HA LYS 19 HA LYS 19 -7.741 5.169 6.832 122 1HB LYS 19 HB1 LYS 19 -6.097 7.439 5.742 123 2HB LYS 19 HB2 LYS 19 -7.394 7.583 6.930 124 1HG LYS 19 HG1 LYS 19 -5.128 5.734 7.410 125 2HG LYS 19 HG2 LYS 19 -4.916 7.466 7.701 126 1HD LYS 19 HD1 LYS 19 -6.891 7.395 9.204 127 2HD LYS 19 HD2 LYS 19 -6.990 5.653 8.936 128 1HE LYS 19 HE1 LYS 19 -4.730 5.401 9.877 129 2HE LYS 19 HE2 LYS 19 -4.684 7.135 10.192 130 1HZ LYS 19 HZ1 LYS 19 -6.980 5.730 11.270 131 2HZ LYS 19 HZ2 LYS 19 -6.020 6.935 11.970 132 3HZ LYS 19 HZ3 LYS 19 -5.494 5.327 11.971 133 H ALA 20 HN ALA 20 -6.574 5.923 3.645 134 HA ALA 20 HA ALA 20 -8.918 7.072 2.582 135 1HB ALA 20 HB1 ALA 20 -7.116 5.379 0.925 136 2HB ALA 20 HB2 ALA 20 -6.452 6.852 1.654 137 3HB ALA 20 HB3 ALA 20 -7.823 6.961 0.542 138 H LEU 21 HN LEU 21 -7.559 3.905 2.526 139 HA LEU 21 HA LEU 21 -9.461 2.534 1.097 140 1HB LEU 21 HB1 LEU 21 -7.110 2.073 2.457 141 2HB LEU 21 HB2 LEU 21 -8.279 1.043 3.198 142 HG LEU 21 HG LEU 21 -8.059 -0.389 1.598 143 1HD1 LEU 21 HD21 LEU 21 -8.838 0.072 -0.590 144 2HD1 LEU 21 HD22 LEU 21 -8.603 1.806 -0.341 145 3HD1 LEU 21 HD23 LEU 21 -9.842 0.943 0.576 146 1HD2 LEU 21 HD11 LEU 21 -5.798 0.620 1.493 147 2HD2 LEU 21 HD12 LEU 21 -6.375 1.576 0.121 148 3HD2 LEU 21 HD13 LEU 21 -6.336 -0.192 0.019 149 H GLU 22 HN GLU 22 -9.143 3.120 4.515 150 HA GLU 22 HA GLU 22 -11.149 1.618 5.511 151 1HB GLU 22 HB1 GLU 22 -10.156 4.331 6.307 152 2HB GLU 22 HB2 GLU 22 -11.422 3.516 7.225 153 1HG GLU 22 HG2 GLU 22 -8.776 2.250 6.643 154 2HG GLU 22 HG1 GLU 22 -9.054 3.247 8.071 155 H ALA 23 HN ALA 23 -11.243 4.502 3.713 156 HA ALA 23 HA ALA 23 -14.035 5.003 4.077 157 1HB ALA 23 HB1 ALA 23 -13.193 6.326 1.762 158 2HB ALA 23 HB2 ALA 23 -11.794 6.332 2.838 159 3HB ALA 23 HB3 ALA 23 -13.330 7.009 3.386 160 H LEU 24 HN LEU 24 -11.949 3.725 1.514 161 HA LEU 24 HA LEU 24 -14.196 3.006 -0.121 162 1HB LEU 24 HB1 LEU 24 -11.254 2.709 -0.424 163 2HB LEU 24 HB2 LEU 24 -12.341 1.834 -1.487 164 HG LEU 24 HG LEU 24 -13.420 4.171 -1.864 165 1HD1 LEU 24 HD11 LEU 24 -10.751 4.803 -0.682 166 2HD1 LEU 24 HD12 LEU 24 -12.344 5.394 -0.197 167 3HD1 LEU 24 HD13 LEU 24 -11.629 5.928 -1.722 168 1HD2 LEU 24 HD21 LEU 24 -12.547 3.783 -3.839 169 2HD2 LEU 24 HD22 LEU 24 -11.317 2.739 -3.126 170 3HD2 LEU 24 HD23 LEU 24 -11.023 4.473 -3.283 171 H SER 25 HN SER 25 -13.505 1.704 2.585 172 HA SER 25 HA SER 25 -12.774 -0.914 2.366 173 1HB SER 25 HB1 SER 25 -14.176 -1.351 4.350 174 2HB SER 25 HB2 SER 25 -13.243 0.132 4.505 175 HG SER 25 HG SER 25 -16.001 -0.198 4.069 176 H ALA 26 HN ALA 26 -13.464 -1.679 0.338 177 HA ALA 26 HA ALA 26 -14.792 -2.826 -1.117 178 1HB ALA 26 HB1 ALA 26 -16.128 -4.505 -0.179 179 2HB ALA 26 HB2 ALA 26 -16.440 -3.544 1.266 180 3HB ALA 26 HB3 ALA 26 -14.838 -4.226 0.991 181 H GLU 27 HN GLU 27 -15.448 -0.128 -0.599 182 HA GLU 27 HA GLU 27 -18.142 0.418 -0.238 183 1HB GLU 27 HB1 GLU 27 -15.916 1.867 -1.602 184 2HB GLU 27 HB2 GLU 27 -17.535 2.542 -1.558 185 1HG GLU 27 HG2 GLU 27 -16.050 1.638 0.882 186 2HG GLU 27 HG1 GLU 27 -15.980 3.291 0.265 187 H ASP 28 HN ASP 28 -16.420 -0.381 -3.220 188 HA ASP 28 HA ASP 28 -18.899 -1.107 -4.463 189 1HB ASP 28 HB2 ASP 28 -18.580 1.452 -4.632 190 2HB ASP 28 HB1 ASP 28 -17.366 1.056 -5.837 191 H GLY 29 HN GLY 29 -16.930 -2.703 -3.961 192 1HA GLY 29 HA1 GLY 29 -15.572 -4.280 -4.896 193 2HA GLY 29 HA2 GLY 29 -16.254 -3.811 -6.445 194 H HIS 30 HN HIS 30 -14.261 -2.092 -4.065 195 HA HIS 30 HA HIS 30 -12.668 -0.967 -6.139 196 1HB HIS 30 HB1 HIS 30 -12.490 -0.812 -3.131 197 2HB HIS 30 HB2 HIS 30 -11.297 -0.066 -4.189 198 HD1 HIS 30 HD1 HIS 30 -12.548 1.520 -6.141 199 HD2 HIS 30 HD2 HIS 30 -14.480 0.963 -2.506 200 HE1 HIS 30 HE1 HIS 30 -14.190 3.408 -5.956 201 HE2 HIS 30 HE2 HIS 30 -15.310 3.082 -3.723 202 H ASP 31 HN ASP 31 -12.521 -3.655 -6.418 203 HA ASP 31 HA ASP 31 -10.389 -4.961 -5.176 204 1HB ASP 31 HB2 ASP 31 -11.401 -5.307 -8.009 205 2HB ASP 31 HB1 ASP 31 -10.413 -6.458 -7.124 206 H ASP 32 HN ASP 32 -10.455 -2.396 -7.410 207 HA ASP 32 HA ASP 32 -7.949 -2.779 -8.675 208 1HB ASP 32 HB1 ASP 32 -9.467 -0.207 -8.201 209 2HB ASP 32 HB2 ASP 32 -8.137 -0.420 -9.336 210 H VAL 33 HN VAL 33 -8.978 -1.463 -5.688 211 HA VAL 33 HA VAL 33 -6.655 -0.039 -5.053 212 HB VAL 33 HB VAL 33 -8.640 -1.363 -3.232 213 1HG1 VAL 33 HG21 VAL 33 -7.220 1.091 -2.421 214 2HG1 VAL 33 HG22 VAL 33 -6.231 -0.379 -2.504 215 3HG1 VAL 33 HG23 VAL 33 -7.671 -0.329 -1.477 216 1HG2 VAL 33 HG11 VAL 33 -8.724 1.535 -3.765 217 2HG2 VAL 33 HG12 VAL 33 -10.036 0.385 -3.516 218 3HG2 VAL 33 HG13 VAL 33 -9.226 0.472 -5.083 219 H GLY 34 HN GLY 34 -7.749 -3.319 -4.281 220 1HA GLY 34 HA2 GLY 34 -5.438 -4.047 -2.805 221 2HA GLY 34 HA1 GLY 34 -6.609 -5.155 -3.491 222 H GLN 35 HN GLN 35 -6.260 -4.126 -6.203 223 HA GLN 35 HA GLN 35 -4.192 -5.852 -7.012 224 1HB GLN 35 HB1 GLN 35 -4.893 -5.442 -9.148 225 2HB GLN 35 HB2 GLN 35 -6.296 -4.822 -8.287 226 1HG GLN 35 HG2 GLN 35 -5.494 -2.568 -8.501 227 2HG GLN 35 HG1 GLN 35 -4.007 -3.133 -9.257 228 1HE2 GLN 35 HE22 GLN 35 -6.252 -5.162 -10.409 229 2HE2 GLN 35 HE21 GLN 35 -6.725 -4.323 -11.841 230 H ARG 36 HN ARG 36 -4.382 -2.437 -6.443 231 HA ARG 36 HA ARG 36 -1.774 -1.849 -7.381 232 1HB ARG 36 HB2 ARG 36 -3.566 -0.263 -5.531 233 2HB ARG 36 HB1 ARG 36 -2.132 0.339 -6.354 234 1HG ARG 36 HG1 ARG 36 -4.543 -0.693 -7.803 235 2HG ARG 36 HG2 ARG 36 -4.288 1.008 -7.394 236 1HD ARG 36 HD2 ARG 36 -2.244 1.038 -8.654 237 2HD ARG 36 HD1 ARG 36 -2.379 -0.679 -8.983 238 HE ARG 36 HE ARG 36 -4.685 0.574 -9.945 239 1HH1 ARG 36 HH11 ARG 36 -1.265 0.484 -10.604 240 2HH1 ARG 36 HH12 ARG 36 -1.449 0.837 -12.290 241 1HH2 ARG 36 HH21 ARG 36 -4.937 1.038 -12.164 242 2HH2 ARG 36 HH22 ARG 36 -3.536 1.153 -13.176 243 H LEU 37 HN LEU 37 -3.373 -2.256 -4.291 244 HA LEU 37 HA LEU 37 -1.363 -1.864 -2.519 245 1HB LEU 37 HB1 LEU 37 -3.842 -3.351 -2.641 246 2HB LEU 37 HB2 LEU 37 -2.782 -3.822 -1.359 247 HG LEU 37 HG LEU 37 -3.796 -1.074 -1.925 248 1HD1 LEU 37 HD21 LEU 37 -4.970 -3.231 -0.500 249 2HD1 LEU 37 HD22 LEU 37 -5.573 -1.582 -0.684 250 3HD1 LEU 37 HD23 LEU 37 -4.509 -1.989 0.664 251 1HD2 LEU 37 HD11 LEU 37 -1.480 -1.263 -0.954 252 2HD2 LEU 37 HD12 LEU 37 -2.222 -1.998 0.468 253 3HD2 LEU 37 HD13 LEU 37 -2.629 -0.341 0.017 254 H GLU 38 HN GLU 38 -2.203 -4.789 -4.267 255 HA GLU 38 HA GLU 38 -0.221 -6.401 -3.037 256 1HB GLU 38 HB2 GLU 38 -2.438 -7.061 -4.190 257 2HB GLU 38 HB1 GLU 38 -1.505 -7.001 -5.673 258 1HG GLU 38 HG2 GLU 38 0.061 -8.649 -4.714 259 2HG GLU 38 HG1 GLU 38 -0.972 -8.758 -3.290 260 H SER 39 HN SER 39 -0.598 -4.974 -6.187 261 HA SER 39 HA SER 39 1.754 -5.742 -7.408 262 1HB SER 39 HB1 SER 39 0.352 -3.063 -7.594 263 2HB SER 39 HB2 SER 39 1.630 -3.592 -8.687 264 HG SER 39 HG SER 39 -0.888 -4.014 -8.998 265 H LEU 40 HN LEU 40 1.216 -3.037 -5.202 266 HA LEU 40 HA LEU 40 3.672 -1.847 -5.220 267 1HB LEU 40 HB1 LEU 40 1.712 -2.271 -2.983 268 2HB LEU 40 HB2 LEU 40 3.082 -1.203 -2.876 269 HG LEU 40 HG LEU 40 0.698 -0.929 -4.685 270 1HD1 LEU 40 HD21 LEU 40 0.830 -0.225 -2.144 271 2HD1 LEU 40 HD22 LEU 40 0.004 0.769 -3.345 272 3HD1 LEU 40 HD23 LEU 40 1.641 1.183 -2.832 273 1HD2 LEU 40 HD11 LEU 40 3.381 0.022 -5.061 274 2HD2 LEU 40 HD12 LEU 40 2.261 1.369 -4.863 275 3HD2 LEU 40 HD13 LEU 40 1.978 0.166 -6.118 276 H LEU 41 HN LEU 41 2.480 -4.376 -3.050 277 HA LEU 41 HA LEU 41 4.933 -4.765 -1.732 278 1HB LEU 41 HB2 LEU 41 2.354 -6.008 -1.833 279 2HB LEU 41 HB1 LEU 41 3.639 -7.101 -1.438 280 HG LEU 41 HG LEU 41 2.878 -4.591 0.040 281 1HD1 LEU 41 HD21 LEU 41 2.351 -6.102 1.841 282 2HD1 LEU 41 HD22 LEU 41 2.930 -7.474 0.899 283 3HD1 LEU 41 HD23 LEU 41 1.477 -6.607 0.395 284 1HD2 LEU 41 HD11 LEU 41 5.431 -5.654 -0.199 285 2HD2 LEU 41 HD12 LEU 41 4.820 -6.273 1.344 286 3HD2 LEU 41 HD13 LEU 41 4.855 -4.536 1.040 287 H ARG 42 HN ARG 42 3.308 -6.841 -4.128 288 HA ARG 42 HA ARG 42 5.233 -8.768 -4.258 289 1HB ARG 42 HB1 ARG 42 3.442 -7.665 -6.424 290 2HB ARG 42 HB2 ARG 42 4.536 -9.006 -6.732 291 1HG ARG 42 HG1 ARG 42 2.397 -8.981 -4.614 292 2HG ARG 42 HG2 ARG 42 2.247 -9.735 -6.206 293 1HD ARG 42 HD1 ARG 42 4.391 -10.427 -4.205 294 2HD ARG 42 HD2 ARG 42 2.870 -11.310 -4.361 295 HE ARG 42 HE ARG 42 4.127 -11.171 -6.870 296 1HH1 ARG 42 HH11 ARG 42 4.493 -12.689 -3.757 297 2HH1 ARG 42 HH12 ARG 42 5.344 -14.062 -4.381 298 1HH2 ARG 42 HH21 ARG 42 5.249 -12.973 -7.703 299 2HH2 ARG 42 HH22 ARG 42 5.776 -14.223 -6.625 300 H ARG 43 HN ARG 43 5.310 -5.550 -5.422 301 HA ARG 43 HA ARG 43 7.732 -5.956 -6.921 302 1HB ARG 43 HB1 ARG 43 6.201 -3.428 -6.310 303 2HB ARG 43 HB2 ARG 43 7.640 -3.502 -7.315 304 1HG ARG 43 HG2 ARG 43 4.989 -4.810 -7.879 305 2HG ARG 43 HG1 ARG 43 5.670 -3.406 -8.699 306 1HD ARG 43 HD2 ARG 43 6.816 -6.194 -8.702 307 2HD ARG 43 HD1 ARG 43 5.944 -5.430 -10.031 308 HE ARG 43 HE ARG 43 8.111 -3.797 -9.349 309 1HH1 ARG 43 HH11 ARG 43 7.495 -6.939 -10.727 310 2HH1 ARG 43 HH12 ARG 43 8.943 -6.948 -11.678 311 1HH2 ARG 43 HH21 ARG 43 10.019 -3.802 -10.598 312 2HH2 ARG 43 HH22 ARG 43 10.377 -5.166 -11.604 313 H TRP 44 HN TRP 44 6.590 -4.779 -3.871 314 HA TRP 44 HA TRP 44 8.996 -3.590 -2.975 315 1HB TRP 44 HB2 TRP 44 6.776 -2.996 -2.091 316 2HB TRP 44 HB1 TRP 44 6.624 -4.629 -1.444 317 HD1 TRP 44 HD1 TRP 44 7.073 -4.725 0.962 318 HE1 TRP 44 HE1 TRP 44 8.573 -3.484 2.665 319 HE3 TRP 44 HE3 TRP 44 9.472 -1.552 -2.241 320 HZ2 TRP 44 HZ2 TRP 44 10.526 -1.443 2.616 321 HZ3 TRP 44 HZ3 TRP 44 11.127 0.006 -1.294 322 HH2 TRP 44 HH2 TRP 44 11.619 0.079 1.029 323 H ASN 45 HN ASN 45 7.304 -6.540 -1.904 324 HA ASN 45 HA ASN 45 9.318 -7.584 -0.335 325 1HB ASN 45 HB1 ASN 45 7.062 -8.842 -1.847 326 2HB ASN 45 HB2 ASN 45 8.128 -9.798 -0.836 327 1HD2 ASN 45 HD21 ASN 45 5.314 -8.154 -0.979 328 2HD2 ASN 45 HD22 ASN 45 5.051 -7.896 0.699 329 H SER 46 HN SER 46 8.777 -7.930 -3.743 330 HA SER 46 HA SER 46 10.612 -9.977 -4.273 331 1HB SER 46 HB1 SER 46 8.919 -9.262 -5.887 332 2HB SER 46 HB2 SER 46 9.741 -7.710 -6.066 333 HG SER 46 HG SER 46 10.168 -9.729 -7.542 334 H ARG 47 HN ARG 47 11.032 -6.444 -4.367 335 HA ARG 47 HA ARG 47 13.712 -6.451 -5.191 336 1HB ARG 47 HB2 ARG 47 12.193 -4.451 -3.521 337 2HB ARG 47 HB1 ARG 47 13.783 -4.163 -4.212 338 1HG ARG 47 HG2 ARG 47 12.934 -4.272 -6.425 339 2HG ARG 47 HG1 ARG 47 11.373 -4.869 -5.861 340 1HD ARG 47 HD1 ARG 47 10.971 -2.774 -4.715 341 2HD ARG 47 HD2 ARG 47 12.539 -2.175 -5.226 342 HE ARG 47 HE ARG 47 10.165 -2.060 -6.714 343 1HH1 ARG 47 HH11 ARG 47 13.545 -2.814 -7.129 344 2HH1 ARG 47 HH12 ARG 47 13.569 -2.364 -8.801 345 1HH2 ARG 47 HH21 ARG 47 10.194 -1.465 -8.911 346 2HH2 ARG 47 HH22 ARG 47 11.666 -1.597 -9.813 347 H ARG 48 HN ARG 48 12.212 -6.738 -2.047 348 HA ARG 48 HA ARG 48 14.412 -6.385 -0.382 349 1HB ARG 48 HB2 ARG 48 12.026 -8.218 -0.143 350 2HB ARG 48 HB1 ARG 48 13.179 -7.968 1.150 351 1HG ARG 48 HG2 ARG 48 12.597 -5.636 1.289 352 2HG ARG 48 HG1 ARG 48 11.554 -5.781 -0.128 353 1HD ARG 48 HD2 ARG 48 10.253 -5.781 1.932 354 2HD ARG 48 HD1 ARG 48 10.104 -7.315 1.075 355 HE ARG 48 HE ARG 48 12.170 -7.545 2.946 356 1HH1 ARG 48 HH11 ARG 48 8.709 -7.158 2.851 357 2HH1 ARG 48 HH12 ARG 48 8.445 -7.982 4.351 358 1HH2 ARG 48 HH21 ARG 48 11.832 -8.636 4.922 359 2HH2 ARG 48 HH22 ARG 48 10.220 -8.822 5.528 360 H ALA 49 HN ALA 49 13.144 -9.339 -1.830 361 HA ALA 49 HA ALA 49 15.098 -11.111 -0.943 362 1HB ALA 49 HB1 ALA 49 14.395 -12.281 -3.235 363 2HB ALA 49 HB2 ALA 49 13.084 -11.106 -3.106 364 3HB ALA 49 HB3 ALA 49 13.353 -12.276 -1.812 365 H ASP 50 HN ASP 50 15.035 -8.963 -3.663 366 HA ASP 50 HA ASP 50 17.310 -9.992 -5.003 367 1HB ASP 50 HB2 ASP 50 15.684 -8.564 -6.143 368 2HB ASP 50 HB1 ASP 50 16.108 -7.217 -5.091 369 H ALA 51 HN ALA 51 18.850 -10.310 -3.327 370 HA ALA 51 HA ALA 51 20.623 -8.099 -2.987 371 1HB ALA 51 HB1 ALA 51 20.595 -8.129 -0.496 372 2HB ALA 51 HB2 ALA 51 19.141 -9.125 -0.572 373 3HB ALA 51 HB3 ALA 51 19.122 -7.485 -1.222 374 HA PRO 52 HA PRO 52 23.371 -11.583 -3.027 375 1HB PRO 52 HB2 PRO 52 25.628 -10.270 -2.203 376 2HB PRO 52 HB1 PRO 52 25.005 -10.216 -3.854 377 1HG PRO 52 HG2 PRO 52 24.685 -8.230 -1.639 378 2HG PRO 52 HG1 PRO 52 25.010 -7.947 -3.359 379 1HD PRO 52 HD2 PRO 52 22.552 -7.641 -2.304 380 2HD PRO 52 HD1 PRO 52 22.793 -8.247 -3.954 381 H SER 53 HN SER 53 23.917 -13.115 -1.598 382 HA SER 53 HA SER 53 23.181 -12.950 1.098 383 1HB SER 53 HB2 SER 53 24.339 -15.118 1.351 384 2HB SER 53 HB1 SER 53 23.330 -15.084 -0.093 385 HG SER 53 HG SER 53 25.085 -15.033 -1.345 386 H THR 54 HN THR 54 24.321 -12.666 2.984 387 HA THR 54 HA THR 54 27.160 -12.378 3.059 388 HB THR 54 HB THR 54 26.716 -10.219 2.063 389 HG1 THR 54 HG1 THR 54 28.197 -9.524 3.392 390 1HG2 THR 54 HG21 THR 54 25.147 -8.683 2.794 391 2HG2 THR 54 HG22 THR 54 25.067 -9.378 4.413 392 3HG2 THR 54 HG23 THR 54 24.302 -10.208 3.058 393 H SER 55 HN SER 55 24.071 -11.656 4.628 394 HA SER 55 HA SER 55 24.870 -13.029 7.010 395 1HB SER 55 HB2 SER 55 24.466 -10.030 7.149 396 2HB SER 55 HB1 SER 55 24.598 -11.099 8.544 397 HG SER 55 HG SER 55 26.557 -10.197 6.797 398 H ALA 56 HN ALA 56 22.593 -10.617 5.720 399 HA ALA 56 HA ALA 56 20.325 -10.442 5.829 400 1HB ALA 56 HB1 ALA 56 19.098 -12.675 5.759 401 2HB ALA 56 HB2 ALA 56 20.695 -13.422 5.766 402 3HB ALA 56 HB3 ALA 56 20.233 -12.341 4.451 403 H ILE 57 HN ILE 57 21.549 -10.000 8.256 404 HA ILE 57 HA ILE 57 20.582 -11.516 10.410 405 HB ILE 57 HB ILE 57 21.276 -8.578 10.361 406 1HG1 ILE 57 HG12 ILE 57 23.127 -9.983 9.598 407 2HG1 ILE 57 HG11 ILE 57 23.477 -9.306 11.184 408 1HG2 ILE 57 HG21 ILE 57 19.921 -9.319 12.316 409 2HG2 ILE 57 HG22 ILE 57 21.521 -8.709 12.735 410 3HG2 ILE 57 HG23 ILE 57 21.216 -10.446 12.721 411 1HD1 ILE 57 HD11 ILE 57 23.450 -12.024 10.363 412 2HD1 ILE 57 HD12 ILE 57 22.221 -11.789 11.607 413 3HD1 ILE 57 HD13 ILE 57 23.897 -11.339 11.926 414 H SER 58 HN SER 58 18.695 -11.564 11.477 415 HA SER 58 HA SER 58 16.368 -10.453 10.338 416 1HB SER 58 HB2 SER 58 16.785 -11.615 13.103 417 2HB SER 58 HB1 SER 58 15.219 -11.309 12.353 418 HG SER 58 HG SER 58 17.195 -12.987 11.210 419 H GLU 59 HN GLU 59 15.213 -8.647 10.777 420 HA GLU 59 HA GLU 59 16.466 -6.429 11.941 421 1HB GLU 59 HB1 GLU 59 14.670 -6.262 10.264 422 2HB GLU 59 HB2 GLU 59 13.517 -6.871 11.440 423 1HG GLU 59 HG2 GLU 59 13.919 -4.910 12.846 424 2HG GLU 59 HG1 GLU 59 15.058 -4.295 11.648 425 H ASP 60 HN ASP 60 16.480 -5.581 13.948 426 HA ASP 60 HA ASP 60 15.853 -7.177 16.170 427 1HB ASP 60 HB1 ASP 60 17.563 -5.394 16.200 428 2HB ASP 60 HB2 ASP 60 16.292 -4.184 16.075 429 1H GLY 1 HT1 GLY 1 -8.970 25.014 4.286 430 2H GLY 1 HT2 GLY 1 -9.062 23.457 3.631 431 3H GLY 1 HT3 GLY 1 -10.196 24.629 3.184 432 1HA GLY 1 HA1 GLY 1 -8.910 24.946 1.402 433 2HA GLY 1 HA2 GLY 1 -7.918 25.868 2.522 434 H SER 2 HN SER 2 -6.801 23.845 4.040 435 HA SER 2 HA SER 2 -4.650 23.036 2.430 436 1HB SER 2 HB2 SER 2 -4.436 23.314 4.854 437 2HB SER 2 HB1 SER 2 -5.532 21.959 5.119 438 HG SER 2 HG SER 2 -2.998 21.847 3.845 439 H ALA 3 HN ALA 3 -4.238 21.244 1.269 440 HA ALA 3 HA ALA 3 -6.333 19.557 0.452 441 1HB ALA 3 HB1 ALA 3 -4.463 19.968 -1.002 442 2HB ALA 3 HB2 ALA 3 -4.546 18.239 -0.661 443 3HB ALA 3 HB3 ALA 3 -3.349 19.243 0.156 444 H ALA 4 HN ALA 4 -7.053 17.631 1.154 445 HA ALA 4 HA ALA 4 -5.553 15.772 2.652 446 1HB ALA 4 HB1 ALA 4 -6.465 15.995 4.842 447 2HB ALA 4 HB2 ALA 4 -7.580 17.256 4.315 448 3HB ALA 4 HB3 ALA 4 -5.846 17.578 4.370 449 H SER 5 HN SER 5 -8.113 15.186 4.277 450 HA SER 5 HA SER 5 -9.954 13.873 4.100 451 1HB SER 5 HB1 SER 5 -10.134 15.064 1.322 452 2HB SER 5 HB2 SER 5 -11.413 14.154 2.123 453 HG SER 5 HG SER 5 -11.740 15.789 3.503 454 HA PRO 6 HA PRO 6 -8.098 10.219 2.349 455 1HB PRO 6 HB1 PRO 6 -10.506 8.821 3.264 456 2HB PRO 6 HB2 PRO 6 -8.834 8.621 3.787 457 1HG PRO 6 HG1 PRO 6 -10.712 9.739 5.368 458 2HG PRO 6 HG2 PRO 6 -9.010 10.235 5.419 459 1HD PRO 6 HD1 PRO 6 -11.336 11.574 4.088 460 2HD PRO 6 HD2 PRO 6 -9.994 12.294 5.004 461 H ALA 7 HN ALA 7 -9.636 8.082 1.434 462 HA ALA 7 HA ALA 7 -10.416 7.359 -0.596 463 1HB ALA 7 HB1 ALA 7 -12.578 7.390 -0.052 464 2HB ALA 7 HB2 ALA 7 -12.686 8.864 -1.014 465 3HB ALA 7 HB3 ALA 7 -12.444 8.965 0.730 466 H VAL 8 HN VAL 8 -8.431 9.347 -0.871 467 HA VAL 8 HA VAL 8 -9.256 11.274 -2.833 468 HB VAL 8 HB VAL 8 -7.379 11.682 -1.270 469 1HG1 VAL 8 HG11 VAL 8 -5.775 9.765 -2.937 470 2HG1 VAL 8 HG12 VAL 8 -6.489 9.345 -1.379 471 3HG1 VAL 8 HG13 VAL 8 -5.275 10.621 -1.478 472 1HG2 VAL 8 HG21 VAL 8 -7.243 12.012 -4.182 473 2HG2 VAL 8 HG22 VAL 8 -5.701 12.200 -3.345 474 3HG2 VAL 8 HG23 VAL 8 -7.078 13.206 -2.894 475 H ASP 9 HN ASP 9 -10.248 9.183 -3.912 476 HA ASP 9 HA ASP 9 -10.384 8.082 -5.898 477 1HB ASP 9 HB1 ASP 9 -7.568 9.093 -6.373 478 2HB ASP 9 HB2 ASP 9 -8.542 8.225 -7.556 479 H ILE 10 HN ILE 10 -8.122 7.599 -3.474 480 HA ILE 10 HA ILE 10 -7.219 5.762 -2.501 481 HB ILE 10 HB ILE 10 -9.497 4.769 -3.395 482 1HG1 ILE 10 HG12 ILE 10 -8.801 2.580 -2.383 483 2HG1 ILE 10 HG11 ILE 10 -7.147 3.183 -2.353 484 1HG2 ILE 10 HG21 ILE 10 -9.461 3.330 -5.105 485 2HG2 ILE 10 HG22 ILE 10 -7.884 2.679 -4.653 486 3HG2 ILE 10 HG23 ILE 10 -7.987 4.178 -5.577 487 1HD1 ILE 10 HD11 ILE 10 -7.918 3.582 -0.207 488 2HD1 ILE 10 HD12 ILE 10 -9.511 4.097 -0.768 489 3HD1 ILE 10 HD13 ILE 10 -8.108 5.143 -1.004 490 H GLY 11 HN GLY 11 -7.131 5.717 -6.045 491 1HA GLY 11 HA2 GLY 11 -4.759 4.135 -6.200 492 2HA GLY 11 HA1 GLY 11 -5.478 5.066 -7.506 493 H ASP 12 HN ASP 12 -5.439 7.538 -5.879 494 HA ASP 12 HA ASP 12 -3.029 8.622 -6.771 495 1HB ASP 12 HB2 ASP 12 -5.030 9.960 -6.218 496 2HB ASP 12 HB1 ASP 12 -4.785 9.608 -4.510 497 H ARG 13 HN ARG 13 -3.959 7.602 -3.486 498 HA ARG 13 HA ARG 13 -1.457 8.173 -2.299 499 1HB ARG 13 HB2 ARG 13 -3.588 6.209 -1.443 500 2HB ARG 13 HB1 ARG 13 -2.250 6.754 -0.442 501 1HG ARG 13 HG1 ARG 13 -3.102 9.026 -0.504 502 2HG ARG 13 HG2 ARG 13 -4.422 8.513 -1.557 503 1HD ARG 13 HD2 ARG 13 -5.226 7.006 0.199 504 2HD ARG 13 HD1 ARG 13 -3.921 7.546 1.253 505 HE ARG 13 HE ARG 13 -6.393 8.826 0.886 506 1HH1 ARG 13 HH11 ARG 13 -2.998 9.574 1.134 507 2HH1 ARG 13 HH12 ARG 13 -3.264 11.159 1.779 508 1HH2 ARG 13 HH21 ARG 13 -6.751 10.907 1.735 509 2HH2 ARG 13 HH22 ARG 13 -5.396 11.916 2.122 510 H LEU 14 HN LEU 14 -2.850 5.254 -3.702 511 HA LEU 14 HA LEU 14 -0.819 3.445 -3.050 512 1HB LEU 14 HB2 LEU 14 -2.770 3.575 -5.337 513 2HB LEU 14 HB1 LEU 14 -1.649 2.241 -5.147 514 HG LEU 14 HG LEU 14 -3.442 2.960 -2.864 515 1HD1 LEU 14 HD11 LEU 14 -4.903 1.056 -4.015 516 2HD1 LEU 14 HD12 LEU 14 -4.267 1.821 -5.471 517 3HD1 LEU 14 HD13 LEU 14 -5.187 2.772 -4.307 518 1HD2 LEU 14 HD21 LEU 14 -2.303 0.374 -3.917 519 2HD2 LEU 14 HD22 LEU 14 -3.284 0.549 -2.461 520 3HD2 LEU 14 HD23 LEU 14 -1.690 1.298 -2.546 521 H ASP 15 HN ASP 15 -1.226 5.542 -5.868 522 HA ASP 15 HA ASP 15 1.035 4.671 -7.293 523 1HB ASP 15 HB2 ASP 15 -0.813 6.004 -8.277 524 2HB ASP 15 HB1 ASP 15 -0.276 7.399 -7.351 525 H GLU 16 HN GLU 16 0.568 7.405 -5.073 526 HA GLU 16 HA GLU 16 3.206 8.375 -5.209 527 1HB GLU 16 HB1 GLU 16 1.185 8.612 -2.975 528 2HB GLU 16 HB2 GLU 16 2.664 9.552 -3.097 529 1HG GLU 16 HG1 GLU 16 1.862 10.519 -5.201 530 2HG GLU 16 HG2 GLU 16 0.369 9.599 -5.044 531 H LEU 17 HN LEU 17 1.664 5.983 -3.122 532 HA LEU 17 HA LEU 17 3.765 5.619 -1.299 533 1HB LEU 17 HB1 LEU 17 1.260 4.496 -1.697 534 2HB LEU 17 HB2 LEU 17 2.362 3.155 -1.940 535 HG LEU 17 HG LEU 17 2.219 4.910 0.513 536 1HD1 LEU 17 HD21 LEU 17 1.265 2.135 -0.079 537 2HD1 LEU 17 HD22 LEU 17 0.369 3.496 0.599 538 3HD1 LEU 17 HD23 LEU 17 1.599 2.680 1.565 539 1HD2 LEU 17 HD11 LEU 17 3.926 3.625 1.478 540 2HD2 LEU 17 HD12 LEU 17 4.508 4.041 -0.136 541 3HD2 LEU 17 HD13 LEU 17 3.869 2.429 0.183 542 H GLU 18 HN GLU 18 3.024 4.082 -4.401 543 HA GLU 18 HA GLU 18 5.128 2.211 -4.417 544 1HB GLU 18 HB2 GLU 18 3.128 2.186 -5.926 545 2HB GLU 18 HB1 GLU 18 3.839 3.524 -6.811 546 1HG GLU 18 HG1 GLU 18 4.242 1.437 -7.957 547 2HG GLU 18 HG2 GLU 18 5.747 2.136 -7.388 548 H LYS 19 HN LYS 19 4.854 5.393 -5.985 549 HA LYS 19 HA LYS 19 7.339 5.536 -7.166 550 1HB LYS 19 HB1 LYS 19 5.828 7.793 -5.832 551 2HB LYS 19 HB2 LYS 19 7.113 7.983 -7.016 552 1HG LYS 19 HG2 LYS 19 4.482 6.616 -7.538 553 2HG LYS 19 HG1 LYS 19 4.862 8.283 -7.967 554 1HD LYS 19 HD1 LYS 19 6.659 7.514 -9.421 555 2HD LYS 19 HD2 LYS 19 6.322 5.841 -8.971 556 1HE LYS 19 HE1 LYS 19 4.099 6.009 -9.945 557 2HE LYS 19 HE2 LYS 19 4.390 7.700 -10.353 558 1HZ LYS 19 HZ1 LYS 19 6.419 5.960 -11.375 559 2HZ LYS 19 HZ2 LYS 19 5.491 7.122 -12.180 560 3HZ LYS 19 HZ3 LYS 19 4.882 5.559 -11.960 561 H ALA 20 HN ALA 20 6.409 6.066 -3.837 562 HA ALA 20 HA ALA 20 8.871 7.135 -2.944 563 1HB ALA 20 HB1 ALA 20 7.078 5.591 -1.134 564 2HB ALA 20 HB2 ALA 20 6.517 7.111 -1.830 565 3HB ALA 20 HB3 ALA 20 7.970 7.081 -0.833 566 H LEU 21 HN LEU 21 7.502 3.833 -2.730 567 HA LEU 21 HA LEU 21 9.759 2.682 -1.520 568 1HB LEU 21 HB1 LEU 21 7.496 1.548 -3.115 569 2HB LEU 21 HB2 LEU 21 8.873 0.537 -2.707 570 HG LEU 21 HG LEU 21 8.475 0.899 -0.334 571 1HD1 LEU 21 HD11 LEU 21 6.601 2.901 -1.351 572 2HD1 LEU 21 HD12 LEU 21 7.485 2.829 0.175 573 3HD1 LEU 21 HD13 LEU 21 5.997 1.903 -0.030 574 1HD2 LEU 21 HD21 LEU 21 5.923 0.078 -1.686 575 2HD2 LEU 21 HD22 LEU 21 6.528 -0.436 -0.112 576 3HD2 LEU 21 HD23 LEU 21 7.360 -0.939 -1.583 577 H GLU 22 HN GLU 22 9.069 3.515 -4.827 578 HA GLU 22 HA GLU 22 10.907 1.914 -6.169 579 1HB GLU 22 HB1 GLU 22 10.058 4.767 -6.706 580 2HB GLU 22 HB2 GLU 22 11.060 3.833 -7.809 581 1HG GLU 22 HG1 GLU 22 8.277 3.097 -6.932 582 2HG GLU 22 HG2 GLU 22 8.705 3.845 -8.468 583 H ALA 23 HN ALA 23 11.321 4.883 -4.362 584 HA ALA 23 HA ALA 23 14.177 4.994 -4.865 585 1HB ALA 23 HB1 ALA 23 13.588 6.815 -2.857 586 2HB ALA 23 HB2 ALA 23 12.142 6.802 -3.867 587 3HB ALA 23 HB3 ALA 23 13.714 7.161 -4.582 588 H LEU 24 HN LEU 24 11.933 4.080 -2.346 589 HA LEU 24 HA LEU 24 14.012 3.594 -0.378 590 1HB LEU 24 HB1 LEU 24 11.462 4.442 -0.184 591 2HB LEU 24 HB2 LEU 24 11.206 2.727 0.023 592 HG LEU 24 HG LEU 24 12.675 2.713 1.967 593 1HD1 LEU 24 HD21 LEU 24 14.159 4.556 1.215 594 2HD1 LEU 24 HD22 LEU 24 13.606 4.724 2.880 595 3HD1 LEU 24 HD23 LEU 24 12.871 5.695 1.605 596 1HD2 LEU 24 HD11 LEU 24 10.311 3.130 2.291 597 2HD2 LEU 24 HD12 LEU 24 10.561 4.856 2.032 598 3HD2 LEU 24 HD13 LEU 24 11.257 4.069 3.447 599 H SER 25 HN SER 25 13.312 2.018 -3.017 600 HA SER 25 HA SER 25 12.420 -0.517 -2.406 601 1HB SER 25 HB2 SER 25 13.480 -1.251 -4.468 602 2HB SER 25 HB1 SER 25 12.725 0.323 -4.693 603 HG SER 25 HG SER 25 15.455 -0.328 -4.528 604 H ALA 26 HN ALA 26 13.253 -1.168 -0.426 605 HA ALA 26 HA ALA 26 14.694 -2.171 1.024 606 1HB ALA 26 HB1 ALA 26 15.606 -4.135 0.211 607 2HB ALA 26 HB2 ALA 26 16.025 -3.418 -1.345 608 3HB ALA 26 HB3 ALA 26 14.340 -3.785 -0.967 609 H GLU 27 HN GLU 27 15.524 0.399 0.423 610 HA GLU 27 HA GLU 27 18.200 0.617 -0.422 611 1HB GLU 27 HB2 GLU 27 16.540 2.400 1.360 612 2HB GLU 27 HB1 GLU 27 18.133 2.829 0.753 613 1HG GLU 27 HG1 GLU 27 15.740 2.205 -0.958 614 2HG GLU 27 HG2 GLU 27 16.310 3.822 -0.553 615 H ASP 28 HN ASP 28 16.768 0.003 2.731 616 HA ASP 28 HA ASP 28 19.294 -0.962 3.725 617 1HB ASP 28 HB1 ASP 28 19.367 1.543 4.069 618 2HB ASP 28 HB2 ASP 28 18.008 1.359 5.172 619 H GLY 29 HN GLY 29 17.374 -2.625 3.438 620 1HA GLY 29 HA1 GLY 29 16.009 -4.135 4.502 621 2HA GLY 29 HA2 GLY 29 16.705 -3.548 6.007 622 H HIS 30 HN HIS 30 14.663 -2.030 3.533 623 HA HIS 30 HA HIS 30 13.082 -0.694 5.495 624 1HB HIS 30 HB2 HIS 30 12.946 -0.932 2.502 625 2HB HIS 30 HB1 HIS 30 11.709 -0.064 3.400 626 HD1 HIS 30 HD1 HIS 30 13.179 1.617 5.322 627 HD2 HIS 30 HD2 HIS 30 14.642 0.893 1.500 628 HE1 HIS 30 HE1 HIS 30 14.799 3.482 4.862 629 HE2 HIS 30 HE2 HIS 30 15.608 3.073 2.511 630 H ASP 31 HN ASP 31 12.993 -3.501 5.879 631 HA ASP 31 HA ASP 31 10.795 -4.827 4.846 632 1HB ASP 31 HB1 ASP 31 11.839 -4.988 7.684 633 2HB ASP 31 HB2 ASP 31 10.855 -6.199 6.872 634 H ASP 32 HN ASP 32 10.975 -2.257 7.167 635 HA ASP 32 HA ASP 32 8.523 -2.481 8.455 636 1HB ASP 32 HB1 ASP 32 10.016 0.026 7.657 637 2HB ASP 32 HB2 ASP 32 8.696 -0.034 8.822 638 H VAL 33 HN VAL 33 9.306 -0.972 5.334 639 HA VAL 33 HA VAL 33 6.728 0.077 4.862 640 HB VAL 33 HB VAL 33 8.617 -0.837 2.691 641 1HG1 VAL 33 HG21 VAL 33 7.073 1.628 2.393 642 2HG1 VAL 33 HG22 VAL 33 6.090 0.170 2.533 643 3HG1 VAL 33 HG23 VAL 33 7.314 0.290 1.269 644 1HG2 VAL 33 HG11 VAL 33 8.757 1.976 3.390 645 2HG2 VAL 33 HG12 VAL 33 10.055 0.809 3.139 646 3HG2 VAL 33 HG13 VAL 33 9.274 0.934 4.715 647 H GLY 34 HN GLY 34 8.150 -3.067 4.472 648 1HA GLY 34 HA1 GLY 34 6.145 -4.186 2.793 649 2HA GLY 34 HA2 GLY 34 7.302 -5.082 3.763 650 H GLN 35 HN GLN 35 6.644 -4.252 6.320 651 HA GLN 35 HA GLN 35 4.430 -5.895 6.883 652 1HB GLN 35 HB2 GLN 35 4.669 -5.218 9.175 653 2HB GLN 35 HB1 GLN 35 6.274 -5.403 8.490 654 1HG GLN 35 HG2 GLN 35 6.416 -2.974 8.202 655 2HG GLN 35 HG1 GLN 35 4.823 -2.807 8.936 656 1HE2 GLN 35 HE22 GLN 35 6.355 -5.338 10.413 657 2HE2 GLN 35 HE21 GLN 35 7.013 -4.507 11.774 658 H ARG 36 HN ARG 36 4.777 -2.423 6.477 659 HA ARG 36 HA ARG 36 2.147 -1.731 7.326 660 1HB ARG 36 HB2 ARG 36 4.043 -0.261 5.477 661 2HB ARG 36 HB1 ARG 36 2.599 0.425 6.207 662 1HG ARG 36 HG1 ARG 36 4.956 -0.620 7.757 663 2HG ARG 36 HG2 ARG 36 4.697 1.075 7.338 664 1HD ARG 36 HD1 ARG 36 2.658 1.129 8.610 665 2HD ARG 36 HD2 ARG 36 2.764 -0.600 8.921 666 HE ARG 36 HE ARG 36 5.088 0.632 9.886 667 1HH1 ARG 36 HH11 ARG 36 1.675 0.475 10.568 668 2HH1 ARG 36 HH12 ARG 36 1.869 0.783 12.262 669 1HH2 ARG 36 HH21 ARG 36 5.353 1.036 12.113 670 2HH2 ARG 36 HH22 ARG 36 3.960 1.102 13.139 671 H LEU 37 HN LEU 37 3.633 -1.889 4.114 672 HA LEU 37 HA LEU 37 1.410 -1.503 2.526 673 1HB LEU 37 HB1 LEU 37 4.022 -1.960 2.088 674 2HB LEU 37 HB2 LEU 37 3.394 -3.538 1.663 675 HG LEU 37 HG LEU 37 2.754 -0.902 0.341 676 1HD1 LEU 37 HD21 LEU 37 4.036 -3.427 -0.699 677 2HD1 LEU 37 HD22 LEU 37 4.901 -1.965 -0.223 678 3HD1 LEU 37 HD23 LEU 37 3.787 -1.925 -1.592 679 1HD2 LEU 37 HD11 LEU 37 0.859 -2.760 0.654 680 2HD2 LEU 37 HD12 LEU 37 1.680 -3.435 -0.752 681 3HD2 LEU 37 HD13 LEU 37 1.021 -1.801 -0.818 682 H GLU 38 HN GLU 38 2.628 -4.461 4.000 683 HA GLU 38 HA GLU 38 0.740 -6.193 2.754 684 1HB GLU 38 HB2 GLU 38 3.080 -6.652 3.930 685 2HB GLU 38 HB1 GLU 38 2.050 -6.939 5.325 686 1HG GLU 38 HG2 GLU 38 0.755 -8.537 3.864 687 2HG GLU 38 HG1 GLU 38 2.060 -8.388 2.700 688 H SER 39 HN SER 39 0.979 -4.750 5.995 689 HA SER 39 HA SER 39 -1.270 -5.970 7.110 690 1HB SER 39 HB2 SER 39 -1.273 -4.074 8.719 691 2HB SER 39 HB1 SER 39 0.329 -4.778 8.498 692 HG SER 39 HG SER 39 0.898 -2.805 8.089 693 H LEU 40 HN LEU 40 -0.969 -2.998 5.218 694 HA LEU 40 HA LEU 40 -3.607 -2.084 5.504 695 1HB LEU 40 HB2 LEU 40 -1.874 -1.784 3.052 696 2HB LEU 40 HB1 LEU 40 -3.217 -0.765 3.517 697 HG LEU 40 HG LEU 40 -0.533 -0.950 4.871 698 1HD1 LEU 40 HD21 LEU 40 -0.843 0.357 2.706 699 2HD1 LEU 40 HD22 LEU 40 -0.151 1.219 4.080 700 3HD1 LEU 40 HD23 LEU 40 -1.847 1.455 3.654 701 1HD2 LEU 40 HD11 LEU 40 -3.076 -0.201 5.961 702 2HD2 LEU 40 HD12 LEU 40 -2.003 1.198 5.899 703 3HD2 LEU 40 HD13 LEU 40 -1.497 -0.264 6.745 704 H LEU 41 HN LEU 41 -2.108 -4.220 3.129 705 HA LEU 41 HA LEU 41 -4.443 -4.592 1.570 706 1HB LEU 41 HB2 LEU 41 -2.049 -4.915 0.851 707 2HB LEU 41 HB1 LEU 41 -2.063 -6.423 1.740 708 HG LEU 41 HG LEU 41 -3.553 -7.439 0.236 709 1HD1 LEU 41 HD11 LEU 41 -5.310 -6.002 -0.145 710 2HD1 LEU 41 HD12 LEU 41 -4.475 -5.937 -1.699 711 3HD1 LEU 41 HD13 LEU 41 -4.254 -4.640 -0.523 712 1HD2 LEU 41 HD21 LEU 41 -2.096 -5.702 -1.698 713 2HD2 LEU 41 HD22 LEU 41 -2.326 -7.454 -1.707 714 3HD2 LEU 41 HD23 LEU 41 -1.171 -6.722 -0.592 715 H ARG 42 HN ARG 42 -2.995 -6.458 4.225 716 HA ARG 42 HA ARG 42 -4.700 -8.684 4.057 717 1HB ARG 42 HB1 ARG 42 -3.173 -7.464 6.349 718 2HB ARG 42 HB2 ARG 42 -4.193 -8.878 6.577 719 1HG ARG 42 HG1 ARG 42 -1.914 -8.718 4.616 720 2HG ARG 42 HG2 ARG 42 -1.806 -9.418 6.233 721 1HD ARG 42 HD2 ARG 42 -3.666 -10.351 4.048 722 2HD ARG 42 HD1 ARG 42 -2.147 -11.125 4.488 723 HE ARG 42 HE ARG 42 -3.711 -10.949 6.790 724 1HH1 ARG 42 HH11 ARG 42 -3.775 -12.555 3.696 725 2HH1 ARG 42 HH12 ARG 42 -4.651 -13.927 4.284 726 1HH2 ARG 42 HH21 ARG 42 -4.863 -12.754 7.571 727 2HH2 ARG 42 HH22 ARG 42 -5.270 -14.041 6.485 728 H ARG 43 HN ARG 43 -4.989 -5.634 5.821 729 HA ARG 43 HA ARG 43 -7.516 -6.253 6.993 730 1HB ARG 43 HB2 ARG 43 -6.225 -3.558 6.509 731 2HB ARG 43 HB1 ARG 43 -7.589 -3.865 7.570 732 1HG ARG 43 HG1 ARG 43 -4.819 -4.991 7.926 733 2HG ARG 43 HG2 ARG 43 -5.490 -3.615 8.801 734 1HD ARG 43 HD2 ARG 43 -6.561 -6.432 8.856 735 2HD ARG 43 HD1 ARG 43 -5.605 -5.668 10.126 736 HE ARG 43 HE ARG 43 -7.849 -4.074 9.626 737 1HH1 ARG 43 HH11 ARG 43 -7.053 -7.204 10.934 738 2HH1 ARG 43 HH12 ARG 43 -8.420 -7.250 11.997 739 1HH2 ARG 43 HH21 ARG 43 -9.650 -4.126 11.022 740 2HH2 ARG 43 HH22 ARG 43 -9.896 -5.500 12.047 741 H TRP 44 HN TRP 44 -6.404 -4.670 4.084 742 HA TRP 44 HA TRP 44 -8.793 -3.530 3.171 743 1HB TRP 44 HB2 TRP 44 -6.648 -2.976 2.193 744 2HB TRP 44 HB1 TRP 44 -6.429 -4.635 1.644 745 HD1 TRP 44 HD1 TRP 44 -6.581 -4.569 -0.897 746 HE1 TRP 44 HE1 TRP 44 -8.204 -3.568 -2.619 747 HE3 TRP 44 HE3 TRP 44 -9.639 -1.957 2.272 748 HZ2 TRP 44 HZ2 TRP 44 -10.451 -1.894 -2.636 749 HZ3 TRP 44 HZ3 TRP 44 -11.504 -0.682 1.289 750 HH2 TRP 44 HH2 TRP 44 -11.903 -0.655 -1.100 751 H ASN 45 HN ASN 45 -7.316 -6.658 2.305 752 HA ASN 45 HA ASN 45 -9.489 -7.555 0.737 753 1HB ASN 45 HB2 ASN 45 -7.256 -9.102 2.067 754 2HB ASN 45 HB1 ASN 45 -8.380 -9.782 0.895 755 1HD2 ASN 45 HD21 ASN 45 -5.376 -8.628 1.224 756 2HD2 ASN 45 HD22 ASN 45 -5.087 -8.054 -0.380 757 H SER 46 HN SER 46 -8.568 -8.109 4.110 758 HA SER 46 HA SER 46 -10.386 -10.075 4.795 759 1HB SER 46 HB1 SER 46 -8.644 -9.277 6.330 760 2HB SER 46 HB2 SER 46 -9.481 -7.734 6.493 761 HG SER 46 HG SER 46 -9.871 -9.959 7.877 762 H ARG 47 HN ARG 47 -10.849 -6.564 4.716 763 HA ARG 47 HA ARG 47 -13.510 -6.569 5.657 764 1HB ARG 47 HB1 ARG 47 -12.073 -4.571 3.899 765 2HB ARG 47 HB2 ARG 47 -13.623 -4.289 4.676 766 1HG ARG 47 HG1 ARG 47 -12.598 -4.492 6.862 767 2HG ARG 47 HG2 ARG 47 -11.043 -4.863 6.118 768 1HD ARG 47 HD2 ARG 47 -11.025 -2.659 5.058 769 2HD ARG 47 HD1 ARG 47 -12.577 -2.288 5.804 770 HE ARG 47 HE ARG 47 -10.048 -2.013 7.003 771 1HH1 ARG 47 HH11 ARG 47 -13.276 -3.108 7.735 772 2HH1 ARG 47 HH12 ARG 47 -13.143 -2.771 9.428 773 1HH2 ARG 47 HH21 ARG 47 -9.867 -1.571 9.232 774 2HH2 ARG 47 HH22 ARG 47 -11.206 -1.898 10.279 775 H ARG 48 HN ARG 48 -12.092 -6.840 2.445 776 HA ARG 48 HA ARG 48 -14.375 -6.546 0.878 777 1HB ARG 48 HB1 ARG 48 -11.980 -8.340 0.437 778 2HB ARG 48 HB2 ARG 48 -13.175 -7.952 -0.791 779 1HG ARG 48 HG2 ARG 48 -12.551 -5.630 -0.738 780 2HG ARG 48 HG1 ARG 48 -11.447 -5.923 0.607 781 1HD ARG 48 HD2 ARG 48 -10.273 -5.762 -1.550 782 2HD ARG 48 HD1 ARG 48 -10.066 -7.338 -0.786 783 HE ARG 48 HE ARG 48 -12.249 -7.464 -2.542 784 1HH1 ARG 48 HH11 ARG 48 -8.781 -7.130 -2.613 785 2HH1 ARG 48 HH12 ARG 48 -8.611 -7.886 -4.161 786 1HH2 ARG 48 HH21 ARG 48 -12.034 -8.462 -4.580 787 2HH2 ARG 48 HH22 ARG 48 -10.459 -8.642 -5.280 788 H ALA 49 HN ALA 49 -13.001 -9.478 2.339 789 HA ALA 49 HA ALA 49 -14.925 -11.285 1.383 790 1HB ALA 49 HB1 ALA 49 -14.179 -12.471 3.669 791 2HB ALA 49 HB2 ALA 49 -12.874 -11.293 3.513 792 3HB ALA 49 HB3 ALA 49 -13.174 -12.454 2.219 793 H ASP 50 HN ASP 50 -14.795 -9.301 4.299 794 HA ASP 50 HA ASP 50 -17.064 -10.350 5.585 795 1HB ASP 50 HB2 ASP 50 -15.397 -8.898 6.696 796 2HB ASP 50 HB1 ASP 50 -15.952 -7.537 5.727 797 H ALA 51 HN ALA 51 -18.773 -10.619 4.182 798 HA ALA 51 HA ALA 51 -20.503 -8.413 3.811 799 1HB ALA 51 HB1 ALA 51 -20.538 -8.422 1.318 800 2HB ALA 51 HB2 ALA 51 -19.076 -9.409 1.350 801 3HB ALA 51 HB3 ALA 51 -19.051 -7.776 2.014 802 HA PRO 52 HA PRO 52 -23.224 -11.919 3.870 803 1HB PRO 52 HB2 PRO 52 -25.513 -10.621 3.122 804 2HB PRO 52 HB1 PRO 52 -24.845 -10.571 4.756 805 1HG PRO 52 HG2 PRO 52 -24.598 -8.569 2.544 806 2HG PRO 52 HG1 PRO 52 -24.891 -8.297 4.272 807 1HD PRO 52 HD1 PRO 52 -22.458 -7.960 3.173 808 2HD PRO 52 HD2 PRO 52 -22.662 -8.582 4.822 809 H SER 53 HN SER 53 -23.742 -13.442 2.421 810 HA SER 53 HA SER 53 -23.094 -13.203 -0.289 811 1HB SER 53 HB1 SER 53 -24.203 -15.395 -0.556 812 2HB SER 53 HB2 SER 53 -23.151 -15.365 0.858 813 HG SER 53 HG SER 53 -24.869 -15.379 2.165 814 H THR 54 HN THR 54 -24.297 -12.902 -2.136 815 HA THR 54 HA THR 54 -27.145 -12.678 -2.106 816 HB THR 54 HB THR 54 -26.707 -10.528 -1.092 817 HG1 THR 54 HG1 THR 54 -28.236 -9.820 -2.358 818 1HG2 THR 54 HG21 THR 54 -25.189 -8.954 -1.846 819 2HG2 THR 54 HG22 THR 54 -25.158 -9.614 -3.481 820 3HG2 THR 54 HG23 THR 54 -24.329 -10.459 -2.174 821 H SER 55 HN SER 55 -24.132 -11.868 -3.779 822 HA SER 55 HA SER 55 -24.999 -13.218 -6.151 823 1HB SER 55 HB2 SER 55 -24.652 -10.211 -6.255 824 2HB SER 55 HB1 SER 55 -24.825 -11.260 -7.662 825 HG SER 55 HG SER 55 -26.724 -10.420 -5.820 826 H ALA 56 HN ALA 56 -22.714 -10.787 -4.912 827 HA ALA 56 HA ALA 56 -20.455 -10.571 -5.108 828 1HB ALA 56 HB1 ALA 56 -19.189 -12.783 -5.135 829 2HB ALA 56 HB2 ALA 56 -20.773 -13.558 -5.086 830 3HB ALA 56 HB3 ALA 56 -20.271 -12.493 -3.773 831 H ILE 57 HN ILE 57 -21.791 -10.111 -7.475 832 HA ILE 57 HA ILE 57 -20.890 -11.567 -9.696 833 HB ILE 57 HB ILE 57 -21.628 -8.640 -9.559 834 1HG1 ILE 57 HG11 ILE 57 -23.423 -10.093 -8.748 835 2HG1 ILE 57 HG12 ILE 57 -23.850 -9.393 -10.304 836 1HG2 ILE 57 HG21 ILE 57 -20.344 -9.325 -11.584 837 2HG2 ILE 57 HG22 ILE 57 -21.970 -8.733 -11.924 838 3HG2 ILE 57 HG23 ILE 57 -21.637 -10.465 -11.956 839 1HD1 ILE 57 HD11 ILE 57 -23.746 -12.129 -9.538 840 2HD1 ILE 57 HD12 ILE 57 -22.583 -11.850 -10.834 841 3HD1 ILE 57 HD13 ILE 57 -24.278 -11.420 -11.064 842 H SER 58 HN SER 58 -19.048 -11.564 -10.841 843 HA SER 58 HA SER 58 -16.695 -10.431 -9.780 844 1HB SER 58 HB2 SER 58 -17.208 -11.559 -12.543 845 2HB SER 58 HB1 SER 58 -15.617 -11.237 -11.853 846 HG SER 58 HG SER 58 -17.519 -12.973 -10.670 847 H GLU 59 HN GLU 59 -15.600 -8.594 -10.227 848 HA GLU 59 HA GLU 59 -16.936 -6.386 -11.314 849 1HB GLU 59 HB2 GLU 59 -15.120 -6.144 -9.707 850 2HB GLU 59 HB1 GLU 59 -13.978 -6.811 -10.862 851 1HG GLU 59 HG2 GLU 59 -14.332 -4.899 -12.332 852 2HG GLU 59 HG1 GLU 59 -15.495 -4.232 -11.187 853 H ASP 60 HN ASP 60 -17.039 -5.509 -13.302 854 HA ASP 60 HA ASP 60 -16.466 -7.056 -15.573 855 1HB ASP 60 HB1 ASP 60 -18.207 -5.303 -15.506 856 2HB ASP 60 HB2 ASP 60 -16.952 -4.072 -15.411 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 -4.422 15.839 -6.097 2 2H GLY 1 HT2 GLY 1 -4.169 17.347 -5.376 3 3H GLY 1 HT3 GLY 1 -3.410 15.973 -4.748 4 1HA GLY 1 HA1 GLY 1 -2.898 16.673 -7.543 5 2HA GLY 1 HA2 GLY 1 -2.130 17.642 -6.294 6 H SER 2 HN SER 2 -1.288 15.466 -8.343 7 HA SER 2 HA SER 2 -0.161 13.403 -6.687 8 1HB SER 2 HB1 SER 2 0.329 14.078 -9.598 9 2HB SER 2 HB2 SER 2 0.894 12.622 -8.782 10 HG SER 2 HG SER 2 -1.425 12.283 -8.293 11 H ALA 3 HN ALA 3 0.668 15.847 -5.712 12 HA ALA 3 HA ALA 3 3.143 16.755 -6.686 13 1HB ALA 3 HB1 ALA 3 3.199 18.137 -4.863 14 2HB ALA 3 HB2 ALA 3 2.545 16.912 -3.775 15 3HB ALA 3 HB3 ALA 3 1.479 17.748 -4.904 16 H ALA 4 HN ALA 4 5.207 16.131 -6.351 17 HA ALA 4 HA ALA 4 5.783 13.498 -5.579 18 1HB ALA 4 HB1 ALA 4 7.190 14.799 -7.106 19 2HB ALA 4 HB2 ALA 4 8.125 14.132 -5.768 20 3HB ALA 4 HB3 ALA 4 7.677 15.838 -5.767 21 H SER 5 HN SER 5 6.398 12.572 -3.700 22 HA SER 5 HA SER 5 7.512 13.918 -1.495 23 1HB SER 5 HB1 SER 5 5.631 13.852 0.080 24 2HB SER 5 HB2 SER 5 5.259 14.895 -1.291 25 HG SER 5 HG SER 5 3.929 12.758 -0.423 26 HA PRO 6 HA PRO 6 7.407 9.247 -1.380 27 1HB PRO 6 HB2 PRO 6 9.984 8.916 -2.450 28 2HB PRO 6 HB1 PRO 6 8.451 8.590 -3.254 29 1HG PRO 6 HG1 PRO 6 10.304 10.605 -3.921 30 2HG PRO 6 HG2 PRO 6 8.653 10.445 -4.540 31 1HD PRO 6 HD2 PRO 6 9.714 12.226 -2.415 32 2HD PRO 6 HD1 PRO 6 8.343 12.468 -3.518 33 H ALA 7 HN ALA 7 8.537 7.877 0.003 34 HA ALA 7 HA ALA 7 9.665 7.313 1.880 35 1HB ALA 7 HB1 ALA 7 11.864 9.213 1.536 36 2HB ALA 7 HB2 ALA 7 11.525 8.236 0.108 37 3HB ALA 7 HB3 ALA 7 11.889 7.453 1.645 38 H VAL 8 HN VAL 8 7.743 9.310 2.142 39 HA VAL 8 HA VAL 8 8.726 11.266 3.987 40 HB VAL 8 HB VAL 8 5.888 10.575 3.246 41 1HG1 VAL 8 HG21 VAL 8 6.487 13.168 4.500 42 2HG1 VAL 8 HG22 VAL 8 6.673 11.761 5.552 43 3HG1 VAL 8 HG23 VAL 8 5.129 12.069 4.752 44 1HG2 VAL 8 HG11 VAL 8 6.022 12.047 1.565 45 2HG2 VAL 8 HG12 VAL 8 7.770 11.884 1.738 46 3HG2 VAL 8 HG13 VAL 8 6.924 13.209 2.538 47 H ASP 9 HN ASP 9 9.698 9.329 5.098 48 HA ASP 9 HA ASP 9 9.811 8.032 6.934 49 1HB ASP 9 HB2 ASP 9 7.174 9.340 7.598 50 2HB ASP 9 HB1 ASP 9 8.059 8.288 8.698 51 H ILE 10 HN ILE 10 8.182 7.719 4.420 52 HA ILE 10 HA ILE 10 6.885 6.329 3.294 53 HB ILE 10 HB ILE 10 9.091 5.144 4.083 54 1HG1 ILE 10 HG11 ILE 10 8.577 3.424 2.452 55 2HG1 ILE 10 HG12 ILE 10 6.863 3.784 2.581 56 1HG2 ILE 10 HG21 ILE 10 8.845 3.127 5.152 57 2HG2 ILE 10 HG22 ILE 10 7.111 3.052 4.827 58 3HG2 ILE 10 HG23 ILE 10 7.734 4.174 6.035 59 1HD1 ILE 10 HD11 ILE 10 7.217 6.003 1.668 60 2HD1 ILE 10 HD12 ILE 10 7.881 4.780 0.567 61 3HD1 ILE 10 HD13 ILE 10 8.961 5.717 1.603 62 H GLY 11 HN GLY 11 6.683 4.984 6.631 63 1HA GLY 11 HA2 GLY 11 4.180 3.806 6.272 64 2HA GLY 11 HA1 GLY 11 4.819 4.317 7.810 65 H ASP 12 HN ASP 12 5.004 7.025 6.262 66 HA ASP 12 HA ASP 12 2.653 8.077 7.410 67 1HB ASP 12 HB1 ASP 12 4.795 9.139 5.573 68 2HB ASP 12 HB2 ASP 12 3.446 10.131 6.124 69 H ARG 13 HN ARG 13 3.724 7.238 4.199 70 HA ARG 13 HA ARG 13 1.503 8.251 2.756 71 1HB ARG 13 HB2 ARG 13 3.423 6.000 2.148 72 2HB ARG 13 HB1 ARG 13 2.461 6.866 0.986 73 1HG ARG 13 HG1 ARG 13 3.706 8.906 1.467 74 2HG ARG 13 HG2 ARG 13 4.640 8.031 2.680 75 1HD ARG 13 HD1 ARG 13 5.074 8.219 -0.132 76 2HD ARG 13 HD2 ARG 13 6.096 7.512 1.101 77 HE ARG 13 HE ARG 13 4.564 6.113 -0.807 78 1HH1 ARG 13 HH11 ARG 13 5.404 6.009 2.551 79 2HH1 ARG 13 HH12 ARG 13 5.350 4.281 2.650 80 1HH2 ARG 13 HH21 ARG 13 4.492 3.825 -0.680 81 2HH2 ARG 13 HH22 ARG 13 4.840 3.049 0.824 82 H LEU 14 HN LEU 14 2.550 5.135 3.777 83 HA LEU 14 HA LEU 14 0.561 3.407 3.054 84 1HB LEU 14 HB2 LEU 14 2.501 3.696 5.271 85 2HB LEU 14 HB1 LEU 14 1.500 2.279 5.206 86 HG LEU 14 HG LEU 14 2.925 2.989 2.720 87 1HD1 LEU 14 HD11 LEU 14 4.939 1.719 3.766 88 2HD1 LEU 14 HD12 LEU 14 4.273 2.344 5.279 89 3HD1 LEU 14 HD13 LEU 14 4.748 3.463 3.991 90 1HD2 LEU 14 HD21 LEU 14 3.330 0.512 2.771 91 2HD2 LEU 14 HD22 LEU 14 1.640 1.016 2.706 92 3HD2 LEU 14 HD23 LEU 14 2.336 0.464 4.229 93 H ASP 15 HN ASP 15 0.940 5.138 6.103 94 HA ASP 15 HA ASP 15 -1.274 4.176 7.457 95 1HB ASP 15 HB1 ASP 15 0.677 5.713 8.220 96 2HB ASP 15 HB2 ASP 15 -0.353 7.036 7.683 97 H GLU 16 HN GLU 16 -0.978 7.051 5.414 98 HA GLU 16 HA GLU 16 -3.674 7.836 5.560 99 1HB GLU 16 HB2 GLU 16 -1.653 8.389 3.394 100 2HB GLU 16 HB1 GLU 16 -3.156 9.268 3.639 101 1HG GLU 16 HG2 GLU 16 -2.337 9.953 5.864 102 2HG GLU 16 HG1 GLU 16 -0.808 9.163 5.510 103 H LEU 17 HN LEU 17 -2.006 5.495 3.767 104 HA LEU 17 HA LEU 17 -3.764 5.193 1.563 105 1HB LEU 17 HB1 LEU 17 -1.273 4.495 1.936 106 2HB LEU 17 HB2 LEU 17 -1.940 3.068 2.687 107 HG LEU 17 HG LEU 17 -1.248 2.612 0.421 108 1HD1 LEU 17 HD11 LEU 17 -4.191 2.526 0.949 109 2HD1 LEU 17 HD12 LEU 17 -2.999 1.234 1.087 110 3HD1 LEU 17 HD13 LEU 17 -3.475 1.830 -0.503 111 1HD2 LEU 17 HD21 LEU 17 -1.328 4.471 -0.860 112 2HD2 LEU 17 HD22 LEU 17 -2.856 5.022 -0.169 113 3HD2 LEU 17 HD23 LEU 17 -2.844 3.726 -1.366 114 H GLU 18 HN GLU 18 -3.412 3.585 4.649 115 HA GLU 18 HA GLU 18 -5.504 1.691 4.179 116 1HB GLU 18 HB2 GLU 18 -3.705 1.234 5.804 117 2HB GLU 18 HB1 GLU 18 -4.191 2.642 6.741 118 1HG GLU 18 HG1 GLU 18 -6.293 1.603 7.282 119 2HG GLU 18 HG2 GLU 18 -5.915 0.231 6.250 120 H LYS 19 HN LYS 19 -5.170 4.747 5.806 121 HA LYS 19 HA LYS 19 -7.699 4.841 6.901 122 1HB LYS 19 HB1 LYS 19 -6.030 7.134 5.916 123 2HB LYS 19 HB2 LYS 19 -7.322 7.226 7.111 124 1HG LYS 19 HG1 LYS 19 -5.061 5.356 7.505 125 2HG LYS 19 HG2 LYS 19 -4.843 7.075 7.868 126 1HD LYS 19 HD2 LYS 19 -6.804 6.942 9.379 127 2HD LYS 19 HD1 LYS 19 -6.908 5.214 9.039 128 1HE LYS 19 HE2 LYS 19 -4.532 6.601 10.264 129 2HE LYS 19 HE1 LYS 19 -5.754 5.703 11.164 130 1HZ LYS 19 HZ1 LYS 19 -5.029 3.880 9.376 131 2HZ LYS 19 HZ2 LYS 19 -4.286 4.039 10.887 132 3HZ LYS 19 HZ3 LYS 19 -3.570 4.725 9.518 133 H ALA 20 HN ALA 20 -6.448 5.710 3.751 134 HA ALA 20 HA ALA 20 -8.766 6.921 2.700 135 1HB ALA 20 HB1 ALA 20 -7.555 7.030 0.784 136 2HB ALA 20 HB2 ALA 20 -7.184 5.295 0.853 137 3HB ALA 20 HB3 ALA 20 -6.223 6.444 1.797 138 H LEU 21 HN LEU 21 -7.440 3.752 2.460 139 HA LEU 21 HA LEU 21 -9.373 2.494 0.984 140 1HB LEU 21 HB1 LEU 21 -7.015 1.933 2.285 141 2HB LEU 21 HB2 LEU 21 -8.181 0.859 2.972 142 HG LEU 21 HG LEU 21 -7.952 -0.463 1.275 143 1HD1 LEU 21 HD21 LEU 21 -9.790 0.949 0.431 144 2HD1 LEU 21 HD22 LEU 21 -8.860 0.104 -0.816 145 3HD1 LEU 21 HD23 LEU 21 -8.586 1.823 -0.514 146 1HD2 LEU 21 HD11 LEU 21 -6.425 1.553 -0.278 147 2HD2 LEU 21 HD12 LEU 21 -6.235 -0.206 -0.227 148 3HD2 LEU 21 HD13 LEU 21 -5.731 0.780 1.153 149 H GLU 22 HN GLU 22 -9.052 2.900 4.426 150 HA GLU 22 HA GLU 22 -11.101 1.375 5.339 151 1HB GLU 22 HB2 GLU 22 -10.097 4.049 6.285 152 2HB GLU 22 HB1 GLU 22 -11.352 3.170 7.155 153 1HG GLU 22 HG2 GLU 22 -9.823 1.310 7.509 154 2HG GLU 22 HG1 GLU 22 -8.571 2.159 6.610 155 H ALA 23 HN ALA 23 -11.129 4.366 3.703 156 HA ALA 23 HA ALA 23 -13.902 4.914 4.090 157 1HB ALA 23 HB1 ALA 23 -11.651 6.238 2.914 158 2HB ALA 23 HB2 ALA 23 -13.216 6.916 3.375 159 3HB ALA 23 HB3 ALA 23 -12.989 6.229 1.764 160 H LEU 24 HN LEU 24 -11.885 3.653 1.470 161 HA LEU 24 HA LEU 24 -14.178 3.000 -0.134 162 1HB LEU 24 HB1 LEU 24 -11.250 2.721 -0.508 163 2HB LEU 24 HB2 LEU 24 -12.339 1.809 -1.537 164 HG LEU 24 HG LEU 24 -13.479 4.153 -1.863 165 1HD1 LEU 24 HD11 LEU 24 -10.723 4.783 -0.896 166 2HD1 LEU 24 HD12 LEU 24 -12.269 5.389 -0.296 167 3HD1 LEU 24 HD13 LEU 24 -11.676 5.898 -1.879 168 1HD2 LEU 24 HD21 LEU 24 -12.770 3.619 -3.874 169 2HD2 LEU 24 HD22 LEU 24 -11.391 2.731 -3.228 170 3HD2 LEU 24 HD23 LEU 24 -11.273 4.470 -3.497 171 H SER 25 HN SER 25 -13.447 1.669 2.534 172 HA SER 25 HA SER 25 -12.750 -0.952 2.306 173 1HB SER 25 HB1 SER 25 -14.152 -1.376 4.301 174 2HB SER 25 HB2 SER 25 -13.180 0.082 4.451 175 HG SER 25 HG SER 25 -15.425 0.855 3.380 176 H ALA 26 HN ALA 26 -13.466 -1.711 0.286 177 HA ALA 26 HA ALA 26 -14.815 -2.858 -1.148 178 1HB ALA 26 HB1 ALA 26 -16.513 -3.572 1.186 179 2HB ALA 26 HB2 ALA 26 -14.867 -4.187 1.050 180 3HB ALA 26 HB3 ALA 26 -16.057 -4.563 -0.199 181 H GLU 27 HN GLU 27 -15.456 -0.152 -0.644 182 HA GLU 27 HA GLU 27 -18.146 0.406 -0.263 183 1HB GLU 27 HB1 GLU 27 -15.947 1.840 -1.697 184 2HB GLU 27 HB2 GLU 27 -17.565 2.514 -1.596 185 1HG GLU 27 HG1 GLU 27 -16.028 1.609 0.809 186 2HG GLU 27 HG2 GLU 27 -15.904 3.249 0.166 187 H ASP 28 HN ASP 28 -16.455 -0.448 -3.246 188 HA ASP 28 HA ASP 28 -18.945 -1.183 -4.459 189 1HB ASP 28 HB2 ASP 28 -18.613 1.375 -4.667 190 2HB ASP 28 HB1 ASP 28 -17.417 0.952 -5.881 191 H GLY 29 HN GLY 29 -16.969 -2.780 -3.959 192 1HA GLY 29 HA1 GLY 29 -15.610 -4.360 -4.892 193 2HA GLY 29 HA2 GLY 29 -16.336 -3.929 -6.431 194 H HIS 30 HN HIS 30 -14.295 -2.156 -4.136 195 HA HIS 30 HA HIS 30 -12.778 -1.040 -6.267 196 1HB HIS 30 HB1 HIS 30 -12.495 -0.853 -3.268 197 2HB HIS 30 HB2 HIS 30 -11.369 -0.081 -4.383 198 HD1 HIS 30 HD1 HIS 30 -12.780 1.427 -6.309 199 HD2 HIS 30 HD2 HIS 30 -14.481 0.888 -2.558 200 HE1 HIS 30 HE1 HIS 30 -14.480 3.260 -6.070 201 HE2 HIS 30 HE2 HIS 30 -15.567 2.849 -3.835 202 H ASP 31 HN ASP 31 -12.597 -3.723 -6.537 203 HA ASP 31 HA ASP 31 -10.420 -5.005 -5.354 204 1HB ASP 31 HB2 ASP 31 -11.532 -5.328 -8.152 205 2HB ASP 31 HB1 ASP 31 -10.438 -6.456 -7.364 206 H ASP 32 HN ASP 32 -10.568 -2.434 -7.582 207 HA ASP 32 HA ASP 32 -8.108 -2.746 -8.923 208 1HB ASP 32 HB1 ASP 32 -9.865 -1.211 -9.718 209 2HB ASP 32 HB2 ASP 32 -9.626 -0.214 -8.287 210 H VAL 33 HN VAL 33 -9.047 -1.436 -5.895 211 HA VAL 33 HA VAL 33 -6.704 -0.076 -5.264 212 HB VAL 33 HB VAL 33 -8.664 -1.421 -3.433 213 1HG1 VAL 33 HG21 VAL 33 -6.261 -0.468 -2.703 214 2HG1 VAL 33 HG22 VAL 33 -7.702 -0.360 -1.681 215 3HG1 VAL 33 HG23 VAL 33 -7.207 1.031 -2.645 216 1HG2 VAL 33 HG11 VAL 33 -9.332 0.386 -5.249 217 2HG2 VAL 33 HG12 VAL 33 -8.733 1.487 -4.002 218 3HG2 VAL 33 HG13 VAL 33 -10.048 0.370 -3.634 219 H GLY 34 HN GLY 34 -7.786 -3.371 -4.494 220 1HA GLY 34 HA2 GLY 34 -5.510 -4.139 -3.017 221 2HA GLY 34 HA1 GLY 34 -6.611 -5.228 -3.828 222 H GLN 35 HN GLN 35 -6.243 -4.201 -6.433 223 HA GLN 35 HA GLN 35 -4.069 -5.741 -7.282 224 1HB GLN 35 HB1 GLN 35 -5.779 -3.649 -8.558 225 2HB GLN 35 HB2 GLN 35 -4.428 -4.343 -9.442 226 1HG GLN 35 HG1 GLN 35 -6.739 -5.885 -8.285 227 2HG GLN 35 HG2 GLN 35 -6.576 -5.407 -9.972 228 1HE2 GLN 35 HE21 GLN 35 -6.431 -7.990 -8.149 229 2HE2 GLN 35 HE22 GLN 35 -5.165 -8.881 -8.912 230 H ARG 36 HN ARG 36 -4.439 -2.355 -6.596 231 HA ARG 36 HA ARG 36 -1.894 -1.538 -7.470 232 1HB ARG 36 HB1 ARG 36 -3.925 -0.325 -5.594 233 2HB ARG 36 HB2 ARG 36 -2.474 0.505 -6.143 234 1HG ARG 36 HG2 ARG 36 -4.384 -0.602 -8.143 235 2HG ARG 36 HG1 ARG 36 -4.730 0.932 -7.335 236 1HD ARG 36 HD2 ARG 36 -2.671 1.847 -8.061 237 2HD ARG 36 HD1 ARG 36 -2.141 0.308 -8.711 238 HE ARG 36 HE ARG 36 -3.197 0.867 -10.644 239 1HH1 ARG 36 HH11 ARG 36 -4.815 2.515 -8.034 240 2HH1 ARG 36 HH12 ARG 36 -5.956 3.302 -9.073 241 1HH2 ARG 36 HH21 ARG 36 -4.694 1.895 -12.011 242 2HH2 ARG 36 HH22 ARG 36 -5.888 2.950 -11.331 243 H LEU 37 HN LEU 37 -3.412 -2.221 -4.398 244 HA LEU 37 HA LEU 37 -1.419 -1.796 -2.615 245 1HB LEU 37 HB2 LEU 37 -3.894 -3.332 -2.856 246 2HB LEU 37 HB1 LEU 37 -2.843 -3.788 -1.589 247 HG LEU 37 HG LEU 37 -3.798 -1.087 -2.017 248 1HD1 LEU 37 HD21 LEU 37 -5.667 -1.602 -0.935 249 2HD1 LEU 37 HD22 LEU 37 -4.701 -2.126 0.446 250 3HD1 LEU 37 HD23 LEU 37 -5.118 -3.276 -0.823 251 1HD2 LEU 37 HD11 LEU 37 -2.366 -2.232 0.351 252 2HD2 LEU 37 HD12 LEU 37 -2.773 -0.535 0.082 253 3HD2 LEU 37 HD13 LEU 37 -1.575 -1.330 -0.942 254 H GLU 38 HN GLU 38 -2.213 -4.728 -4.400 255 HA GLU 38 HA GLU 38 -0.265 -6.328 -3.164 256 1HB GLU 38 HB2 GLU 38 -2.348 -7.038 -4.471 257 2HB GLU 38 HB1 GLU 38 -1.380 -6.787 -5.912 258 1HG GLU 38 HG2 GLU 38 0.304 -8.384 -4.879 259 2HG GLU 38 HG1 GLU 38 -0.962 -8.793 -3.723 260 H SER 39 HN SER 39 -0.457 -4.844 -6.295 261 HA SER 39 HA SER 39 1.978 -5.473 -7.401 262 1HB SER 39 HB2 SER 39 0.188 -4.072 -8.475 263 2HB SER 39 HB1 SER 39 0.735 -2.712 -7.502 264 HG SER 39 HG SER 39 1.871 -3.850 -9.738 265 H LEU 40 HN LEU 40 1.241 -2.884 -5.127 266 HA LEU 40 HA LEU 40 3.622 -1.606 -4.903 267 1HB LEU 40 HB1 LEU 40 1.601 -2.337 -2.806 268 2HB LEU 40 HB2 LEU 40 2.912 -1.225 -2.536 269 HG LEU 40 HG LEU 40 0.834 -0.805 -4.658 270 1HD1 LEU 40 HD21 LEU 40 -0.620 -0.151 -3.126 271 2HD1 LEU 40 HD22 LEU 40 0.562 0.966 -2.441 272 3HD1 LEU 40 HD23 LEU 40 0.489 -0.702 -1.871 273 1HD2 LEU 40 HD11 LEU 40 1.649 1.419 -4.753 274 2HD2 LEU 40 HD12 LEU 40 3.055 0.355 -4.844 275 3HD2 LEU 40 HD13 LEU 40 2.662 1.177 -3.332 276 H LEU 41 HN LEU 41 2.498 -4.350 -2.949 277 HA LEU 41 HA LEU 41 5.006 -4.699 -1.675 278 1HB LEU 41 HB2 LEU 41 2.439 -5.983 -1.700 279 2HB LEU 41 HB1 LEU 41 3.761 -7.042 -1.337 280 HG LEU 41 HG LEU 41 2.976 -4.545 0.158 281 1HD1 LEU 41 HD21 LEU 41 2.506 -6.047 1.969 282 2HD1 LEU 41 HD22 LEU 41 3.147 -7.413 1.055 283 3HD1 LEU 41 HD23 LEU 41 1.653 -6.628 0.539 284 1HD2 LEU 41 HD11 LEU 41 5.545 -5.449 -0.168 285 2HD2 LEU 41 HD12 LEU 41 5.036 -6.233 1.333 286 3HD2 LEU 41 HD13 LEU 41 4.955 -4.477 1.182 287 H ARG 42 HN ARG 42 3.304 -6.735 -4.044 288 HA ARG 42 HA ARG 42 5.189 -8.677 -4.304 289 1HB ARG 42 HB2 ARG 42 3.042 -8.757 -5.502 290 2HB ARG 42 HB1 ARG 42 3.548 -7.429 -6.535 291 1HG ARG 42 HG2 ARG 42 3.746 -9.466 -7.761 292 2HG ARG 42 HG1 ARG 42 5.369 -8.869 -7.407 293 1HD ARG 42 HD1 ARG 42 5.228 -11.275 -7.053 294 2HD ARG 42 HD2 ARG 42 5.542 -10.430 -5.538 295 HE ARG 42 HE ARG 42 2.780 -10.764 -5.799 296 1HH1 ARG 42 HH11 ARG 42 5.645 -12.692 -5.345 297 2HH1 ARG 42 HH12 ARG 42 4.821 -13.946 -4.478 298 1HH2 ARG 42 HH21 ARG 42 1.686 -12.406 -4.660 299 2HH2 ARG 42 HH22 ARG 42 2.569 -13.783 -4.089 300 H ARG 43 HN ARG 43 5.304 -5.412 -5.342 301 HA ARG 43 HA ARG 43 7.701 -5.808 -6.890 302 1HB ARG 43 HB1 ARG 43 6.200 -3.272 -6.240 303 2HB ARG 43 HB2 ARG 43 7.612 -3.363 -7.282 304 1HG ARG 43 HG1 ARG 43 4.905 -4.579 -7.778 305 2HG ARG 43 HG2 ARG 43 5.657 -3.241 -8.649 306 1HD ARG 43 HD1 ARG 43 7.447 -4.794 -9.382 307 2HD ARG 43 HD2 ARG 43 6.567 -6.111 -8.602 308 HE ARG 43 HE ARG 43 4.819 -4.839 -10.362 309 1HH1 ARG 43 HH11 ARG 43 7.742 -6.735 -10.466 310 2HH1 ARG 43 HH12 ARG 43 7.396 -7.417 -12.020 311 1HH2 ARG 43 HH21 ARG 43 4.357 -5.734 -12.407 312 2HH2 ARG 43 HH22 ARG 43 5.473 -6.848 -13.123 313 H TRP 44 HN TRP 44 6.599 -4.572 -3.825 314 HA TRP 44 HA TRP 44 9.004 -3.393 -2.952 315 1HB TRP 44 HB2 TRP 44 6.815 -2.886 -1.968 316 2HB TRP 44 HB1 TRP 44 6.694 -4.552 -1.407 317 HD1 TRP 44 HD1 TRP 44 7.129 -4.720 0.998 318 HE1 TRP 44 HE1 TRP 44 8.634 -3.550 2.750 319 HE3 TRP 44 HE3 TRP 44 9.560 -1.474 -2.089 320 HZ2 TRP 44 HZ2 TRP 44 10.612 -1.536 2.770 321 HZ3 TRP 44 HZ3 TRP 44 11.234 0.032 -1.089 322 HH2 TRP 44 HH2 TRP 44 11.727 0.022 1.233 323 H ASN 45 HN ASN 45 7.433 -6.447 -2.011 324 HA ASN 45 HA ASN 45 9.527 -7.482 -0.529 325 1HB ASN 45 HB1 ASN 45 7.238 -8.718 -2.002 326 2HB ASN 45 HB2 ASN 45 8.362 -9.704 -1.086 327 1HD2 ASN 45 HD21 ASN 45 5.548 -8.000 -1.033 328 2HD2 ASN 45 HD22 ASN 45 5.348 -7.857 0.668 329 H SER 46 HN SER 46 8.951 -7.582 -3.933 330 HA SER 46 HA SER 46 10.863 -9.567 -4.583 331 1HB SER 46 HB1 SER 46 9.061 -8.966 -6.117 332 2HB SER 46 HB2 SER 46 9.736 -7.349 -6.288 333 HG SER 46 HG SER 46 10.744 -9.802 -7.230 334 H ARG 47 HN ARG 47 10.998 -6.015 -4.620 335 HA ARG 47 HA ARG 47 13.595 -5.783 -5.628 336 1HB ARG 47 HB1 ARG 47 12.030 -3.963 -3.807 337 2HB ARG 47 HB2 ARG 47 13.563 -3.525 -4.546 338 1HG ARG 47 HG2 ARG 47 12.640 -3.618 -6.727 339 2HG ARG 47 HG1 ARG 47 11.156 -4.368 -6.133 340 1HD ARG 47 HD2 ARG 47 10.617 -2.358 -4.897 341 2HD ARG 47 HD1 ARG 47 12.114 -1.609 -5.426 342 HE ARG 47 HE ARG 47 9.693 -1.638 -6.841 343 1HH1 ARG 47 HH11 ARG 47 13.109 -2.088 -7.381 344 2HH1 ARG 47 HH12 ARG 47 13.044 -1.577 -9.035 345 1HH2 ARG 47 HH21 ARG 47 9.603 -0.963 -9.014 346 2HH2 ARG 47 HH22 ARG 47 11.052 -0.937 -9.962 347 H ARG 48 HN ARG 48 12.398 -6.280 -2.378 348 HA ARG 48 HA ARG 48 14.743 -5.791 -0.940 349 1HB ARG 48 HB2 ARG 48 12.563 -7.823 -0.440 350 2HB ARG 48 HB1 ARG 48 13.792 -7.379 0.726 351 1HG ARG 48 HG1 ARG 48 12.933 -5.010 0.546 352 2HG ARG 48 HG2 ARG 48 11.573 -5.674 -0.362 353 1HD ARG 48 HD1 ARG 48 10.991 -5.436 1.982 354 2HD ARG 48 HD2 ARG 48 11.035 -7.137 1.520 355 HE ARG 48 HE ARG 48 12.596 -7.419 3.142 356 1HH1 ARG 48 HH11 ARG 48 12.817 -4.126 2.010 357 2HH1 ARG 48 HH12 ARG 48 14.128 -3.717 3.065 358 1HH2 ARG 48 HH21 ARG 48 14.326 -6.885 4.528 359 2HH2 ARG 48 HH22 ARG 48 14.984 -5.283 4.494 360 H ALA 49 HN ALA 49 13.461 -8.831 -2.183 361 HA ALA 49 HA ALA 49 15.647 -10.452 -1.590 362 1HB ALA 49 HB1 ALA 49 13.367 -10.644 -3.492 363 2HB ALA 49 HB2 ALA 49 13.773 -11.671 -2.115 364 3HB ALA 49 HB3 ALA 49 14.687 -11.807 -3.618 365 H ASP 50 HN ASP 50 14.968 -8.435 -4.337 366 HA ASP 50 HA ASP 50 16.146 -7.888 -6.214 367 1HB ASP 50 HB2 ASP 50 17.383 -6.746 -4.386 368 2HB ASP 50 HB1 ASP 50 18.475 -8.123 -4.302 369 H ALA 51 HN ALA 51 15.619 -10.665 -6.024 370 HA ALA 51 HA ALA 51 17.317 -11.678 -8.014 371 1HB ALA 51 HB1 ALA 51 18.142 -13.606 -6.342 372 2HB ALA 51 HB2 ALA 51 18.121 -12.240 -5.228 373 3HB ALA 51 HB3 ALA 51 19.092 -12.164 -6.698 374 HA PRO 52 HA PRO 52 13.632 -14.152 -8.319 375 1HB PRO 52 HB2 PRO 52 15.252 -15.876 -10.090 376 2HB PRO 52 HB1 PRO 52 13.759 -14.999 -10.435 377 1HG PRO 52 HG2 PRO 52 16.107 -14.195 -11.436 378 2HG PRO 52 HG1 PRO 52 14.872 -13.033 -10.927 379 1HD PRO 52 HD2 PRO 52 17.365 -13.891 -9.510 380 2HD PRO 52 HD1 PRO 52 16.650 -12.272 -9.650 381 H SER 53 HN SER 53 12.916 -15.715 -7.018 382 HA SER 53 HA SER 53 14.108 -18.230 -6.684 383 1HB SER 53 HB1 SER 53 14.896 -18.051 -4.346 384 2HB SER 53 HB2 SER 53 15.831 -17.024 -5.429 385 HG SER 53 HG SER 53 14.735 -16.246 -3.259 386 H THR 54 HN THR 54 13.296 -18.139 -3.704 387 HA THR 54 HA THR 54 10.566 -17.490 -3.537 388 HB THR 54 HB THR 54 10.195 -19.288 -5.125 389 HG1 THR 54 HG1 THR 54 8.599 -19.197 -3.585 390 1HG2 THR 54 HG21 THR 54 10.767 -21.648 -4.423 391 2HG2 THR 54 HG22 THR 54 11.802 -20.941 -3.183 392 3HG2 THR 54 HG23 THR 54 12.137 -20.640 -4.887 393 H SER 55 HN SER 55 9.918 -17.545 -1.449 394 HA SER 55 HA SER 55 11.786 -17.991 0.591 395 1HB SER 55 HB1 SER 55 8.768 -17.840 0.783 396 2HB SER 55 HB2 SER 55 9.883 -17.695 2.140 397 HG SER 55 HG SER 55 9.060 -15.795 0.477 398 H ALA 56 HN ALA 56 12.358 -19.735 1.728 399 HA ALA 56 HA ALA 56 10.700 -21.921 2.334 400 1HB ALA 56 HB1 ALA 56 11.833 -23.647 0.911 401 2HB ALA 56 HB2 ALA 56 12.545 -22.325 -0.014 402 3HB ALA 56 HB3 ALA 56 10.793 -22.528 0.029 403 H ILE 57 HN ILE 57 13.165 -23.752 1.854 404 HA ILE 57 HA ILE 57 15.291 -22.762 3.421 405 HB ILE 57 HB ILE 57 13.705 -22.861 5.249 406 1HG1 ILE 57 HG11 ILE 57 15.505 -25.214 5.675 407 2HG1 ILE 57 HG12 ILE 57 16.213 -23.634 5.345 408 1HG2 ILE 57 HG21 ILE 57 13.482 -25.745 5.422 409 2HG2 ILE 57 HG22 ILE 57 12.725 -25.106 3.963 410 3HG2 ILE 57 HG23 ILE 57 12.233 -24.506 5.546 411 1HD1 ILE 57 HD11 ILE 57 14.340 -24.301 7.593 412 2HD1 ILE 57 HD12 ILE 57 15.012 -22.709 7.243 413 3HD1 ILE 57 HD13 ILE 57 16.079 -24.032 7.716 414 H SER 58 HN SER 58 17.042 -24.054 3.197 415 HA SER 58 HA SER 58 16.967 -26.864 2.948 416 1HB SER 58 HB2 SER 58 15.985 -26.393 0.754 417 2HB SER 58 HB1 SER 58 17.346 -25.347 0.355 418 HG SER 58 HG SER 58 17.152 -27.957 0.005 419 H GLU 59 HN GLU 59 18.709 -23.935 1.958 420 HA GLU 59 HA GLU 59 20.979 -24.548 3.517 421 1HB GLU 59 HB1 GLU 59 22.611 -24.958 1.735 422 2HB GLU 59 HB2 GLU 59 21.394 -26.225 1.798 423 1HG GLU 59 HG2 GLU 59 20.218 -25.172 -0.066 424 2HG GLU 59 HG1 GLU 59 21.463 -23.931 -0.140 425 H ASP 60 HN ASP 60 22.162 -22.751 3.860 426 HA ASP 60 HA ASP 60 22.741 -20.554 3.841 427 1HB ASP 60 HB2 ASP 60 23.889 -21.173 1.781 428 2HB ASP 60 HB1 ASP 60 22.411 -20.926 0.858 429 1H GLY 1 HT1 GLY 1 4.319 15.845 6.227 430 2H GLY 1 HT2 GLY 1 4.008 17.358 5.539 431 3H GLY 1 HT3 GLY 1 3.243 15.979 4.928 432 1HA GLY 1 HA1 GLY 1 2.849 16.623 7.755 433 2HA GLY 1 HA2 GLY 1 2.018 17.613 6.565 434 H SER 2 HN SER 2 1.287 15.383 8.600 435 HA SER 2 HA SER 2 0.104 13.348 6.949 436 1HB SER 2 HB2 SER 2 -0.261 13.953 9.893 437 2HB SER 2 HB1 SER 2 -0.851 12.511 9.070 438 HG SER 2 HG SER 2 1.442 12.195 8.474 439 H ALA 3 HN ALA 3 -0.779 15.826 6.088 440 HA ALA 3 HA ALA 3 -3.217 16.685 7.184 441 1HB ALA 3 HB1 ALA 3 -3.373 18.100 5.385 442 2HB ALA 3 HB2 ALA 3 -2.728 16.910 4.254 443 3HB ALA 3 HB3 ALA 3 -1.646 17.745 5.367 444 H ALA 4 HN ALA 4 -5.297 16.062 6.905 445 HA ALA 4 HA ALA 4 -5.908 13.447 6.155 446 1HB ALA 4 HB1 ALA 4 -7.321 14.787 7.637 447 2HB ALA 4 HB2 ALA 4 -8.249 14.116 6.296 448 3HB ALA 4 HB3 ALA 4 -7.775 15.815 6.278 449 H SER 5 HN SER 5 -6.481 12.485 4.291 450 HA SER 5 HA SER 5 -7.517 13.835 2.028 451 1HB SER 5 HB2 SER 5 -5.224 14.678 1.842 452 2HB SER 5 HB1 SER 5 -4.600 13.030 1.887 453 HG SER 5 HG SER 5 -4.855 13.032 -0.181 454 HA PRO 6 HA PRO 6 -7.672 9.162 2.018 455 1HB PRO 6 HB2 PRO 6 -9.932 8.653 3.362 456 2HB PRO 6 HB1 PRO 6 -8.396 8.916 4.191 457 1HG PRO 6 HG1 PRO 6 -10.743 10.706 3.943 458 2HG PRO 6 HG2 PRO 6 -9.540 10.600 5.236 459 1HD PRO 6 HD2 PRO 6 -9.624 12.488 3.120 460 2HD PRO 6 HD1 PRO 6 -8.330 12.270 4.313 461 H ALA 7 HN ALA 7 -8.949 7.856 0.703 462 HA ALA 7 HA ALA 7 -10.358 7.315 -0.986 463 1HB ALA 7 HB1 ALA 7 -12.306 9.455 -0.570 464 2HB ALA 7 HB2 ALA 7 -11.962 8.496 0.869 465 3HB ALA 7 HB3 ALA 7 -12.525 7.706 -0.604 466 H VAL 8 HN VAL 8 -8.248 9.290 -1.384 467 HA VAL 8 HA VAL 8 -9.269 11.205 -3.291 468 HB VAL 8 HB VAL 8 -6.422 10.418 -2.625 469 1HG1 VAL 8 HG21 VAL 8 -6.968 13.038 -3.854 470 2HG1 VAL 8 HG22 VAL 8 -7.207 11.649 -4.914 471 3HG1 VAL 8 HG23 VAL 8 -5.646 11.906 -4.136 472 1HG2 VAL 8 HG11 VAL 8 -6.443 11.921 -0.964 473 2HG2 VAL 8 HG12 VAL 8 -8.197 11.755 -1.046 474 3HG2 VAL 8 HG13 VAL 8 -7.396 13.079 -1.892 475 H ASP 9 HN ASP 9 -10.340 9.271 -4.384 476 HA ASP 9 HA ASP 9 -10.557 8.030 -6.275 477 1HB ASP 9 HB2 ASP 9 -7.791 9.080 -6.935 478 2HB ASP 9 HB1 ASP 9 -8.818 8.173 -8.042 479 H ILE 10 HN ILE 10 -8.508 7.551 -3.827 480 HA ILE 10 HA ILE 10 -7.440 5.827 -2.859 481 HB ILE 10 HB ILE 10 -9.679 4.750 -3.555 482 1HG1 ILE 10 HG12 ILE 10 -8.827 2.540 -2.676 483 2HG1 ILE 10 HG11 ILE 10 -7.207 3.225 -2.748 484 1HG2 ILE 10 HG21 ILE 10 -9.792 3.268 -5.242 485 2HG2 ILE 10 HG22 ILE 10 -8.126 2.733 -5.026 486 3HG2 ILE 10 HG23 ILE 10 -8.466 4.225 -5.901 487 1HD1 ILE 10 HD11 ILE 10 -8.052 5.068 -1.251 488 2HD1 ILE 10 HD12 ILE 10 -7.937 3.465 -0.521 489 3HD1 ILE 10 HD13 ILE 10 -9.508 4.095 -1.027 490 H GLY 11 HN GLY 11 -7.431 5.045 -6.375 491 1HA GLY 11 HA2 GLY 11 -4.965 3.740 -6.364 492 2HA GLY 11 HA1 GLY 11 -5.694 4.510 -7.764 493 H ASP 12 HN ASP 12 -5.717 7.167 -6.584 494 HA ASP 12 HA ASP 12 -3.342 8.179 -7.542 495 1HB ASP 12 HB2 ASP 12 -5.126 9.342 -5.396 496 2HB ASP 12 HB1 ASP 12 -3.875 10.235 -6.251 497 H ARG 13 HN ARG 13 -4.138 7.312 -4.189 498 HA ARG 13 HA ARG 13 -1.631 8.145 -3.141 499 1HB ARG 13 HB2 ARG 13 -3.461 6.077 -1.940 500 2HB ARG 13 HB1 ARG 13 -2.272 7.067 -1.107 501 1HG ARG 13 HG2 ARG 13 -3.613 9.068 -1.657 502 2HG ARG 13 HG1 ARG 13 -4.834 8.011 -2.367 503 1HD ARG 13 HD1 ARG 13 -4.089 8.414 0.482 504 2HD ARG 13 HD2 ARG 13 -5.681 8.224 -0.254 505 HE ARG 13 HE ARG 13 -4.208 6.199 0.951 506 1HH1 ARG 13 HH11 ARG 13 -5.943 6.735 -2.014 507 2HH1 ARG 13 HH12 ARG 13 -6.327 5.061 -2.236 508 1HH2 ARG 13 HH21 ARG 13 -4.732 3.995 0.659 509 2HH2 ARG 13 HH22 ARG 13 -5.651 3.514 -0.726 510 H LEU 14 HN LEU 14 -2.909 4.971 -4.168 511 HA LEU 14 HA LEU 14 -0.809 3.367 -3.371 512 1HB LEU 14 HB2 LEU 14 -2.545 3.185 -5.824 513 2HB LEU 14 HB1 LEU 14 -1.320 1.986 -5.468 514 HG LEU 14 HG LEU 14 -3.146 0.942 -4.579 515 1HD1 LEU 14 HD21 LEU 14 -3.331 1.535 -2.097 516 2HD1 LEU 14 HD22 LEU 14 -1.999 2.640 -2.434 517 3HD1 LEU 14 HD23 LEU 14 -1.810 0.915 -2.734 518 1HD2 LEU 14 HD11 LEU 14 -4.964 2.217 -3.369 519 2HD2 LEU 14 HD12 LEU 14 -4.849 2.397 -5.121 520 3HD2 LEU 14 HD13 LEU 14 -4.232 3.665 -4.060 521 H ASP 15 HN ASP 15 -1.063 5.391 -6.255 522 HA ASP 15 HA ASP 15 1.305 4.572 -7.510 523 1HB ASP 15 HB1 ASP 15 -0.196 7.191 -7.574 524 2HB ASP 15 HB2 ASP 15 1.230 6.892 -8.561 525 H GLU 16 HN GLU 16 0.720 7.321 -5.319 526 HA GLU 16 HA GLU 16 3.391 8.184 -5.192 527 1HB GLU 16 HB2 GLU 16 1.234 8.461 -3.090 528 2HB GLU 16 HB1 GLU 16 2.712 9.410 -3.182 529 1HG GLU 16 HG1 GLU 16 1.980 10.318 -5.339 530 2HG GLU 16 HG2 GLU 16 0.484 9.397 -5.205 531 H LEU 17 HN LEU 17 1.588 5.806 -3.343 532 HA LEU 17 HA LEU 17 3.446 5.311 -1.288 533 1HB LEU 17 HB1 LEU 17 0.995 4.465 -1.648 534 2HB LEU 17 HB2 LEU 17 1.756 3.144 -2.513 535 HG LEU 17 HG LEU 17 3.160 2.828 -0.359 536 1HD1 LEU 17 HD21 LEU 17 0.797 4.243 0.850 537 2HD1 LEU 17 HD22 LEU 17 2.361 5.015 0.599 538 3HD1 LEU 17 HD23 LEU 17 2.229 3.622 1.674 539 1HD2 LEU 17 HD11 LEU 17 1.781 1.069 -0.739 540 2HD2 LEU 17 HD12 LEU 17 0.340 2.076 -0.864 541 3HD2 LEU 17 HD13 LEU 17 1.028 1.713 0.719 542 H GLU 18 HN GLU 18 2.979 3.833 -4.495 543 HA GLU 18 HA GLU 18 5.072 1.943 -4.301 544 1HB GLU 18 HB2 GLU 18 3.077 2.067 -5.961 545 2HB GLU 18 HB1 GLU 18 4.139 3.096 -6.912 546 1HG GLU 18 HG2 GLU 18 5.822 1.262 -6.868 547 2HG GLU 18 HG1 GLU 18 4.615 0.244 -6.099 548 H LYS 19 HN LYS 19 4.908 5.047 -6.050 549 HA LYS 19 HA LYS 19 7.465 5.136 -7.058 550 1HB LYS 19 HB2 LYS 19 5.529 7.241 -6.195 551 2HB LYS 19 HB1 LYS 19 7.165 7.725 -6.610 552 1HG LYS 19 HG2 LYS 19 5.565 7.923 -8.481 553 2HG LYS 19 HG1 LYS 19 6.926 6.857 -8.830 554 1HD LYS 19 HD2 LYS 19 5.538 4.913 -8.379 555 2HD LYS 19 HD1 LYS 19 4.177 5.962 -7.985 556 1HE LYS 19 HE2 LYS 19 4.172 6.832 -10.258 557 2HE LYS 19 HE1 LYS 19 5.559 5.820 -10.659 558 1HZ LYS 19 HZ1 LYS 19 4.081 3.893 -9.965 559 2HZ LYS 19 HZ2 LYS 19 3.721 4.646 -11.435 560 3HZ LYS 19 HZ3 LYS 19 2.790 4.982 -10.064 561 H ALA 20 HN ALA 20 6.358 5.907 -3.814 562 HA ALA 20 HA ALA 20 8.754 7.034 -2.859 563 1HB ALA 20 HB1 ALA 20 7.639 7.245 -0.933 564 2HB ALA 20 HB2 ALA 20 7.215 5.533 -0.885 565 3HB ALA 20 HB3 ALA 20 6.249 6.656 -1.842 566 H LEU 21 HN LEU 21 7.483 3.711 -2.609 567 HA LEU 21 HA LEU 21 9.747 2.661 -1.303 568 1HB LEU 21 HB1 LEU 21 7.481 1.456 -2.820 569 2HB LEU 21 HB2 LEU 21 8.874 0.459 -2.428 570 HG LEU 21 HG LEU 21 8.540 0.837 -0.066 571 1HD1 LEU 21 HD11 LEU 21 7.679 2.860 0.386 572 2HD1 LEU 21 HD12 LEU 21 6.167 1.950 0.386 573 3HD1 LEU 21 HD13 LEU 21 6.647 2.866 -1.044 574 1HD2 LEU 21 HD21 LEU 21 7.203 -0.912 -0.137 575 2HD2 LEU 21 HD22 LEU 21 6.717 -0.503 -1.781 576 3HD2 LEU 21 HD23 LEU 21 5.828 0.158 -0.408 577 H GLU 22 HN GLU 22 9.063 3.319 -4.654 578 HA GLU 22 HA GLU 22 10.936 1.658 -5.879 579 1HB GLU 22 HB2 GLU 22 10.098 4.465 -6.638 580 2HB GLU 22 HB1 GLU 22 11.055 3.408 -7.667 581 1HG GLU 22 HG1 GLU 22 9.187 1.772 -7.621 582 2HG GLU 22 HG2 GLU 22 8.232 2.957 -6.735 583 H ALA 23 HN ALA 23 11.282 4.720 -4.232 584 HA ALA 23 HA ALA 23 14.124 4.911 -4.752 585 1HB ALA 23 HB1 ALA 23 12.050 6.665 -3.816 586 2HB ALA 23 HB2 ALA 23 13.665 7.062 -4.400 587 3HB ALA 23 HB3 ALA 23 13.412 6.688 -2.696 588 H LEU 24 HN LEU 24 11.951 4.030 -2.140 589 HA LEU 24 HA LEU 24 14.089 3.556 -0.241 590 1HB LEU 24 HB1 LEU 24 11.549 4.386 0.037 591 2HB LEU 24 HB2 LEU 24 11.296 2.668 0.232 592 HG LEU 24 HG LEU 24 12.794 2.625 2.142 593 1HD1 LEU 24 HD21 LEU 24 14.326 4.405 1.398 594 2HD1 LEU 24 HD22 LEU 24 13.764 4.639 3.052 595 3HD1 LEU 24 HD23 LEU 24 13.073 5.597 1.744 596 1HD2 LEU 24 HD11 LEU 24 10.465 3.084 2.558 597 2HD2 LEU 24 HD12 LEU 24 10.720 4.802 2.254 598 3HD2 LEU 24 HD13 LEU 24 11.458 4.037 3.662 599 H SER 25 HN SER 25 13.345 1.978 -2.854 600 HA SER 25 HA SER 25 12.496 -0.569 -2.267 601 1HB SER 25 HB2 SER 25 13.548 -1.275 -4.333 602 2HB SER 25 HB1 SER 25 12.824 0.316 -4.548 603 HG SER 25 HG SER 25 15.082 1.055 -3.939 604 H ALA 26 HN ALA 26 13.332 -1.225 -0.285 605 HA ALA 26 HA ALA 26 14.770 -2.252 1.149 606 1HB ALA 26 HB1 ALA 26 16.263 -3.422 -1.133 607 2HB ALA 26 HB2 ALA 26 14.534 -3.749 -1.018 608 3HB ALA 26 HB3 ALA 26 15.607 -4.197 0.311 609 H GLU 27 HN GLU 27 15.542 0.361 0.605 610 HA GLU 27 HA GLU 27 18.215 0.671 -0.198 611 1HB GLU 27 HB2 GLU 27 16.495 2.349 1.626 612 2HB GLU 27 HB1 GLU 27 18.089 2.835 1.072 613 1HG GLU 27 HG2 GLU 27 15.721 2.261 -0.691 614 2HG GLU 27 HG1 GLU 27 16.310 3.860 -0.240 615 H ASP 28 HN ASP 28 16.790 -0.125 2.917 616 HA ASP 28 HA ASP 28 19.318 -1.081 3.883 617 1HB ASP 28 HB1 ASP 28 19.540 1.347 4.300 618 2HB ASP 28 HB2 ASP 28 18.070 1.304 5.266 619 H GLY 29 HN GLY 29 17.365 -2.723 3.603 620 1HA GLY 29 HA1 GLY 29 16.032 -4.251 4.687 621 2HA GLY 29 HA2 GLY 29 16.745 -3.667 6.184 622 H HIS 30 HN HIS 30 14.664 -2.164 3.739 623 HA HIS 30 HA HIS 30 13.105 -0.832 5.723 624 1HB HIS 30 HB2 HIS 30 12.961 -1.046 2.730 625 2HB HIS 30 HB1 HIS 30 11.727 -0.182 3.634 626 HD1 HIS 30 HD1 HIS 30 13.166 1.504 5.553 627 HD2 HIS 30 HD2 HIS 30 14.705 0.754 1.767 628 HE1 HIS 30 HE1 HIS 30 14.807 3.358 5.119 629 HE2 HIS 30 HE2 HIS 30 15.791 2.837 2.858 630 H ASP 31 HN ASP 31 12.969 -3.587 6.190 631 HA ASP 31 HA ASP 31 10.783 -4.936 5.137 632 1HB ASP 31 HB1 ASP 31 11.946 -5.022 7.927 633 2HB ASP 31 HB2 ASP 31 10.729 -6.149 7.343 634 H ASP 32 HN ASP 32 10.948 -2.376 7.498 635 HA ASP 32 HA ASP 32 8.461 -2.563 8.702 636 1HB ASP 32 HB1 ASP 32 10.221 -0.965 9.384 637 2HB ASP 32 HB2 ASP 32 9.923 -0.029 7.923 638 H VAL 33 HN VAL 33 9.348 -1.027 5.622 639 HA VAL 33 HA VAL 33 6.816 0.049 5.047 640 HB VAL 33 HB VAL 33 8.728 -0.925 2.927 641 1HG1 VAL 33 HG21 VAL 33 6.251 0.185 2.734 642 2HG1 VAL 33 HG22 VAL 33 7.505 0.282 1.499 643 3HG1 VAL 33 HG23 VAL 33 7.289 1.609 2.643 644 1HG2 VAL 33 HG11 VAL 33 9.474 0.744 4.974 645 2HG2 VAL 33 HG12 VAL 33 8.937 1.878 3.735 646 3HG2 VAL 33 HG13 VAL 33 10.202 0.707 3.368 647 H GLY 34 HN GLY 34 8.203 -3.128 4.589 648 1HA GLY 34 HA1 GLY 34 6.194 -4.182 2.893 649 2HA GLY 34 HA2 GLY 34 7.298 -5.119 3.888 650 H GLN 35 HN GLN 35 6.576 -4.160 6.416 651 HA GLN 35 HA GLN 35 4.315 -5.769 6.960 652 1HB GLN 35 HB2 GLN 35 5.659 -3.697 8.707 653 2HB GLN 35 HB1 GLN 35 4.506 -4.901 9.262 654 1HG GLN 35 HG2 GLN 35 7.224 -5.439 8.088 655 2HG GLN 35 HG1 GLN 35 6.765 -5.583 9.781 656 1HE2 GLN 35 HE22 GLN 35 6.507 -7.599 10.390 657 2HE2 GLN 35 HE21 GLN 35 5.888 -8.890 9.426 658 H ARG 36 HN ARG 36 4.785 -2.285 6.675 659 HA ARG 36 HA ARG 36 2.178 -1.506 7.449 660 1HB ARG 36 HB1 ARG 36 4.192 -0.146 5.644 661 2HB ARG 36 HB2 ARG 36 2.729 0.615 6.252 662 1HG ARG 36 HG1 ARG 36 4.848 -0.505 8.059 663 2HG ARG 36 HG2 ARG 36 4.864 1.158 7.471 664 1HD ARG 36 HD1 ARG 36 2.724 1.586 8.502 665 2HD ARG 36 HD2 ARG 36 2.590 -0.099 8.992 666 HE ARG 36 HE ARG 36 3.745 0.485 10.857 667 1HH1 ARG 36 HH11 ARG 36 4.774 2.582 8.267 668 2HH1 ARG 36 HH12 ARG 36 5.893 3.461 9.255 669 1HH2 ARG 36 HH21 ARG 36 5.212 1.642 12.158 670 2HH2 ARG 36 HH22 ARG 36 6.141 2.927 11.463 671 H LEU 37 HN LEU 37 3.690 -2.010 4.303 672 HA LEU 37 HA LEU 37 1.484 -1.465 2.671 673 1HB LEU 37 HB1 LEU 37 4.101 -2.043 2.286 674 2HB LEU 37 HB2 LEU 37 3.374 -3.557 1.792 675 HG LEU 37 HG LEU 37 2.873 -0.833 0.597 676 1HD1 LEU 37 HD21 LEU 37 4.981 -1.799 -0.065 677 2HD1 LEU 37 HD22 LEU 37 3.847 -1.890 -1.413 678 3HD1 LEU 37 HD23 LEU 37 4.197 -3.331 -0.456 679 1HD2 LEU 37 HD11 LEU 37 1.762 -3.280 -0.644 680 2HD2 LEU 37 HD12 LEU 37 1.144 -1.629 -0.639 681 3HD2 LEU 37 HD13 LEU 37 0.933 -2.653 0.780 682 H GLU 38 HN GLU 38 2.662 -4.486 4.071 683 HA GLU 38 HA GLU 38 0.748 -6.172 2.854 684 1HB GLU 38 HB2 GLU 38 2.982 -6.812 3.911 685 2HB GLU 38 HB1 GLU 38 2.161 -6.716 5.461 686 1HG GLU 38 HG2 GLU 38 1.022 -8.414 3.300 687 2HG GLU 38 HG1 GLU 38 2.404 -8.989 4.225 688 H SER 39 HN SER 39 0.864 -4.499 5.963 689 HA SER 39 HA SER 39 -1.430 -5.616 7.115 690 1HB SER 39 HB2 SER 39 0.159 -4.241 8.394 691 2HB SER 39 HB1 SER 39 -0.314 -2.820 7.462 692 HG SER 39 HG SER 39 -1.518 -3.945 9.610 693 H LEU 40 HN LEU 40 -0.977 -3.011 4.820 694 HA LEU 40 HA LEU 40 -3.495 -1.836 4.839 695 1HB LEU 40 HB1 LEU 40 -1.684 -2.318 2.469 696 2HB LEU 40 HB2 LEU 40 -3.023 -1.190 2.505 697 HG LEU 40 HG LEU 40 -0.590 -0.984 4.275 698 1HD1 LEU 40 HD21 LEU 40 0.509 -0.086 2.577 699 2HD1 LEU 40 HD22 LEU 40 -0.769 1.111 2.369 700 3HD1 LEU 40 HD23 LEU 40 -0.854 -0.428 1.512 701 1HD2 LEU 40 HD11 LEU 40 -1.393 1.122 4.921 702 2HD2 LEU 40 HD12 LEU 40 -2.789 0.048 5.017 703 3HD2 LEU 40 HD13 LEU 40 -2.610 1.141 3.645 704 H LEU 41 HN LEU 41 -2.308 -4.532 2.848 705 HA LEU 41 HA LEU 41 -4.836 -5.005 1.629 706 1HB LEU 41 HB1 LEU 41 -2.192 -6.370 1.626 707 2HB LEU 41 HB2 LEU 41 -3.592 -7.244 1.038 708 HG LEU 41 HG LEU 41 -2.788 -4.541 -0.009 709 1HD1 LEU 41 HD21 LEU 41 -1.704 -5.574 -1.833 710 2HD1 LEU 41 HD22 LEU 41 -2.228 -7.182 -1.325 711 3HD1 LEU 41 HD23 LEU 41 -1.033 -6.302 -0.372 712 1HD2 LEU 41 HD11 LEU 41 -5.108 -6.089 -0.292 713 2HD2 LEU 41 HD12 LEU 41 -4.228 -6.231 -1.816 714 3HD2 LEU 41 HD13 LEU 41 -4.657 -4.638 -1.187 715 H ARG 42 HN ARG 42 -3.039 -6.720 4.197 716 HA ARG 42 HA ARG 42 -4.747 -8.849 4.556 717 1HB ARG 42 HB2 ARG 42 -2.628 -8.572 5.790 718 2HB ARG 42 HB1 ARG 42 -3.357 -7.289 6.744 719 1HG ARG 42 HG2 ARG 42 -3.285 -9.409 7.958 720 2HG ARG 42 HG1 ARG 42 -4.941 -8.857 7.697 721 1HD ARG 42 HD2 ARG 42 -4.735 -11.256 7.295 722 2HD ARG 42 HD1 ARG 42 -5.172 -10.396 5.822 723 HE ARG 42 HE ARG 42 -2.385 -10.656 5.908 724 1HH1 ARG 42 HH11 ARG 42 -5.234 -12.631 5.547 725 2HH1 ARG 42 HH12 ARG 42 -4.434 -13.837 4.597 726 1HH2 ARG 42 HH21 ARG 42 -1.324 -12.241 4.656 727 2HH2 ARG 42 HH22 ARG 42 -2.213 -13.616 4.091 728 H ARG 43 HN ARG 43 -5.100 -5.525 5.589 729 HA ARG 43 HA ARG 43 -7.596 -6.065 6.977 730 1HB ARG 43 HB1 ARG 43 -6.231 -3.426 6.397 731 2HB ARG 43 HB2 ARG 43 -7.596 -3.670 7.479 732 1HG ARG 43 HG1 ARG 43 -4.823 -4.792 7.844 733 2HG ARG 43 HG2 ARG 43 -5.522 -3.430 8.720 734 1HD ARG 43 HD1 ARG 43 -7.246 -4.916 9.635 735 2HD ARG 43 HD2 ARG 43 -6.524 -6.275 8.775 736 HE ARG 43 HE ARG 43 -4.559 -5.075 10.373 737 1HH1 ARG 43 HH11 ARG 43 -7.493 -6.928 10.693 738 2HH1 ARG 43 HH12 ARG 43 -7.027 -7.645 12.200 739 1HH2 ARG 43 HH21 ARG 43 -3.940 -6.013 12.357 740 2HH2 ARG 43 HH22 ARG 43 -5.009 -7.124 13.146 741 H TRP 44 HN TRP 44 -6.432 -4.582 4.009 742 HA TRP 44 HA TRP 44 -8.765 -3.393 3.059 743 1HB TRP 44 HB2 TRP 44 -6.603 -3.029 2.018 744 2HB TRP 44 HB1 TRP 44 -6.515 -4.718 1.534 745 HD1 TRP 44 HD1 TRP 44 -6.630 -4.628 -1.025 746 HE1 TRP 44 HE1 TRP 44 -8.242 -3.619 -2.750 747 HE3 TRP 44 HE3 TRP 44 -9.642 -1.953 2.132 748 HZ2 TRP 44 HZ2 TRP 44 -10.464 -1.911 -2.776 749 HZ3 TRP 44 HZ3 TRP 44 -11.483 -0.655 1.145 750 HH2 TRP 44 HH2 TRP 44 -11.891 -0.636 -1.243 751 H ASN 45 HN ASN 45 -7.476 -6.600 2.189 752 HA ASN 45 HA ASN 45 -9.749 -7.446 0.765 753 1HB ASN 45 HB2 ASN 45 -7.565 -9.071 2.085 754 2HB ASN 45 HB1 ASN 45 -8.736 -9.705 0.935 755 1HD2 ASN 45 HD21 ASN 45 -5.679 -8.591 1.245 756 2HD2 ASN 45 HD22 ASN 45 -5.381 -8.092 -0.381 757 H SER 46 HN SER 46 -8.747 -7.930 4.128 758 HA SER 46 HA SER 46 -10.677 -9.772 4.907 759 1HB SER 46 HB2 SER 46 -8.790 -9.148 6.340 760 2HB SER 46 HB1 SER 46 -9.466 -7.533 6.546 761 HG SER 46 HG SER 46 -10.444 -9.997 7.512 762 H ARG 47 HN ARG 47 -10.841 -6.228 4.880 763 HA ARG 47 HA ARG 47 -13.397 -5.989 6.013 764 1HB ARG 47 HB2 ARG 47 -11.923 -4.173 4.102 765 2HB ARG 47 HB1 ARG 47 -13.420 -3.737 4.910 766 1HG ARG 47 HG2 ARG 47 -12.348 -3.924 7.072 767 2HG ARG 47 HG1 ARG 47 -10.852 -4.460 6.306 768 1HD ARG 47 HD1 ARG 47 -10.672 -2.315 5.150 769 2HD ARG 47 HD2 ARG 47 -12.175 -1.781 5.897 770 HE ARG 47 HE ARG 47 -9.611 -1.663 7.048 771 1HH1 ARG 47 HH11 ARG 47 -12.909 -2.435 7.872 772 2HH1 ARG 47 HH12 ARG 47 -12.722 -2.024 9.543 773 1HH2 ARG 47 HH21 ARG 47 -9.359 -1.121 9.247 774 2HH2 ARG 47 HH22 ARG 47 -10.706 -1.277 10.325 775 H ARG 48 HN ARG 48 -12.346 -6.423 2.671 776 HA ARG 48 HA ARG 48 -14.775 -5.969 1.381 777 1HB ARG 48 HB1 ARG 48 -12.603 -7.939 0.642 778 2HB ARG 48 HB2 ARG 48 -13.885 -7.395 -0.429 779 1HG ARG 48 HG2 ARG 48 -13.025 -5.079 -0.195 780 2HG ARG 48 HG1 ARG 48 -11.675 -5.723 0.740 781 1HD ARG 48 HD2 ARG 48 -11.062 -5.386 -1.604 782 2HD ARG 48 HD1 ARG 48 -10.992 -7.088 -1.155 783 HE ARG 48 HE ARG 48 -12.501 -7.473 -2.806 784 1HH1 ARG 48 HH11 ARG 48 -12.959 -4.207 -1.675 785 2HH1 ARG 48 HH12 ARG 48 -14.254 -3.872 -2.776 786 1HH2 ARG 48 HH21 ARG 48 -14.206 -7.039 -4.255 787 2HH2 ARG 48 HH22 ARG 48 -14.963 -5.481 -4.240 788 H ALA 49 HN ALA 49 -13.425 -9.011 2.634 789 HA ALA 49 HA ALA 49 -15.631 -10.628 1.949 790 1HB ALA 49 HB1 ALA 49 -13.304 -10.902 3.790 791 2HB ALA 49 HB2 ALA 49 -13.767 -11.887 2.402 792 3HB ALA 49 HB3 ALA 49 -14.637 -12.049 3.928 793 H ASP 50 HN ASP 50 -14.791 -8.852 4.884 794 HA ASP 50 HA ASP 50 -15.965 -8.300 6.750 795 1HB ASP 50 HB1 ASP 50 -17.287 -7.117 4.984 796 2HB ASP 50 HB2 ASP 50 -18.366 -8.503 4.921 797 H ALA 51 HN ALA 51 -15.369 -11.016 6.498 798 HA ALA 51 HA ALA 51 -16.988 -12.155 8.471 799 1HB ALA 51 HB1 ALA 51 -17.820 -14.052 6.785 800 2HB ALA 51 HB2 ALA 51 -17.843 -12.673 5.685 801 3HB ALA 51 HB3 ALA 51 -18.788 -12.631 7.174 802 HA PRO 52 HA PRO 52 -13.199 -14.488 8.579 803 1HB PRO 52 HB2 PRO 52 -14.696 -16.288 10.385 804 2HB PRO 52 HB1 PRO 52 -13.209 -15.383 10.680 805 1HG PRO 52 HG1 PRO 52 -15.524 -14.648 11.800 806 2HG PRO 52 HG2 PRO 52 -14.342 -13.448 11.249 807 1HD PRO 52 HD1 PRO 52 -16.880 -14.349 9.942 808 2HD PRO 52 HD2 PRO 52 -16.197 -12.715 10.069 809 H SER 53 HN SER 53 -12.490 -16.011 7.224 810 HA SER 53 HA SER 53 -13.635 -18.551 6.888 811 1HB SER 53 HB2 SER 53 -14.500 -18.348 4.580 812 2HB SER 53 HB1 SER 53 -15.421 -17.359 5.711 813 HG SER 53 HG SER 53 -14.417 -16.518 3.523 814 H THR 54 HN THR 54 -12.919 -18.393 3.889 815 HA THR 54 HA THR 54 -10.208 -17.684 3.650 816 HB THR 54 HB THR 54 -9.756 -19.503 5.190 817 HG1 THR 54 HG1 THR 54 -8.215 -19.342 3.593 818 1HG2 THR 54 HG21 THR 54 -10.305 -21.859 4.468 819 2HG2 THR 54 HG22 THR 54 -11.385 -21.154 3.266 820 3HG2 THR 54 HG23 THR 54 -11.682 -20.885 4.982 821 H SER 55 HN SER 55 -9.615 -17.701 1.541 822 HA SER 55 HA SER 55 -11.537 -18.132 -0.450 823 1HB SER 55 HB2 SER 55 -8.528 -17.945 -0.726 824 2HB SER 55 HB1 SER 55 -9.682 -17.794 -2.048 825 HG SER 55 HG SER 55 -8.829 -15.904 -0.403 826 H ALA 56 HN ALA 56 -12.132 -19.861 -1.587 827 HA ALA 56 HA ALA 56 -10.485 -22.018 -2.304 828 1HB ALA 56 HB1 ALA 56 -11.526 -23.784 -0.871 829 2HB ALA 56 HB2 ALA 56 -12.231 -22.497 0.107 830 3HB ALA 56 HB3 ALA 56 -10.477 -22.663 -0.002 831 H ILE 57 HN ILE 57 -12.908 -23.888 -1.770 832 HA ILE 57 HA ILE 57 -15.122 -22.879 -3.175 833 HB ILE 57 HB ILE 57 -13.632 -22.845 -5.105 834 1HG1 ILE 57 HG11 ILE 57 -15.580 -25.152 -5.307 835 2HG1 ILE 57 HG12 ILE 57 -16.038 -23.454 -5.376 836 1HG2 ILE 57 HG21 ILE 57 -13.330 -25.716 -5.417 837 2HG2 ILE 57 HG22 ILE 57 -12.507 -25.101 -3.984 838 3HG2 ILE 57 HG23 ILE 57 -12.134 -24.429 -5.571 839 1HD1 ILE 57 HD11 ILE 57 -14.172 -24.797 -7.313 840 2HD1 ILE 57 HD12 ILE 57 -14.797 -23.151 -7.408 841 3HD1 ILE 57 HD13 ILE 57 -15.892 -24.523 -7.588 842 H SER 58 HN SER 58 -16.827 -24.223 -2.954 843 HA SER 58 HA SER 58 -16.680 -27.042 -2.840 844 1HB SER 58 HB1 SER 58 -15.621 -26.642 -0.666 845 2HB SER 58 HB2 SER 58 -16.987 -25.645 -0.170 846 HG SER 58 HG SER 58 -16.737 -28.221 0.141 847 H GLU 59 HN GLU 59 -18.429 -24.177 -1.710 848 HA GLU 59 HA GLU 59 -20.758 -24.802 -3.182 849 1HB GLU 59 HB2 GLU 59 -22.300 -25.213 -1.287 850 2HB GLU 59 HB1 GLU 59 -21.127 -26.503 -1.502 851 1HG GLU 59 HG1 GLU 59 -19.799 -25.619 0.336 852 2HG GLU 59 HG2 GLU 59 -20.949 -24.300 0.541 853 H ASP 60 HN ASP 60 -22.006 -23.027 -3.422 854 HA ASP 60 HA ASP 60 -22.655 -20.852 -3.321 855 1HB ASP 60 HB1 ASP 60 -23.501 -21.563 -1.101 856 2HB ASP 60 HB2 ASP 60 -21.962 -21.103 -0.385 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 12.460 23.085 -7.883 2 2H GLY 1 HT2 GLY 1 10.852 23.448 -8.259 3 3H GLY 1 HT3 GLY 1 11.325 21.840 -8.030 4 1HA GLY 1 HA2 GLY 1 11.862 22.331 -5.701 5 2HA GLY 1 HA1 GLY 1 11.265 23.964 -5.957 6 H SER 2 HN SER 2 10.425 21.448 -4.348 7 HA SER 2 HA SER 2 8.486 20.612 -3.513 8 1HB SER 2 HB2 SER 2 7.258 22.924 -5.033 9 2HB SER 2 HB1 SER 2 6.388 21.903 -3.888 10 HG SER 2 HG SER 2 7.154 23.111 -2.374 11 H ALA 3 HN ALA 3 7.242 18.914 -4.038 12 HA ALA 3 HA ALA 3 5.859 18.589 -6.474 13 1HB ALA 3 HB1 ALA 3 8.073 18.333 -7.436 14 2HB ALA 3 HB2 ALA 3 7.210 16.796 -7.481 15 3HB ALA 3 HB3 ALA 3 8.459 17.070 -6.266 16 H ALA 4 HN ALA 4 6.645 15.590 -6.358 17 HA ALA 4 HA ALA 4 4.483 14.745 -4.774 18 1HB ALA 4 HB1 ALA 4 4.850 13.054 -6.183 19 2HB ALA 4 HB2 ALA 4 6.062 12.511 -5.022 20 3HB ALA 4 HB3 ALA 4 6.544 13.493 -6.407 21 H SER 5 HN SER 5 7.979 14.682 -4.174 22 HA SER 5 HA SER 5 9.209 14.445 -2.273 23 1HB SER 5 HB2 SER 5 7.820 16.452 -1.643 24 2HB SER 5 HB1 SER 5 6.716 15.351 -0.819 25 HG SER 5 HG SER 5 9.059 16.353 0.035 26 HA PRO 6 HA PRO 6 6.886 10.422 -1.368 27 1HB PRO 6 HB2 PRO 6 9.254 9.124 -2.486 28 2HB PRO 6 HB1 PRO 6 7.557 8.900 -2.901 29 1HG PRO 6 HG2 PRO 6 9.336 10.129 -4.544 30 2HG PRO 6 HG1 PRO 6 7.603 10.499 -4.533 31 1HD PRO 6 HD2 PRO 6 9.878 12.031 -3.372 32 2HD PRO 6 HD1 PRO 6 8.374 12.619 -4.106 33 H ALA 7 HN ALA 7 8.326 8.322 -0.504 34 HA ALA 7 HA ALA 7 9.261 7.558 1.448 35 1HB ALA 7 HB1 ALA 7 11.569 9.315 1.386 36 2HB ALA 7 HB2 ALA 7 11.200 8.652 -0.206 37 3HB ALA 7 HB3 ALA 7 11.471 7.569 1.159 38 H VAL 8 HN VAL 8 7.406 9.511 1.900 39 HA VAL 8 HA VAL 8 8.398 11.411 3.780 40 HB VAL 8 HB VAL 8 6.460 11.971 2.405 41 1HG1 VAL 8 HG11 VAL 8 4.337 10.654 3.641 42 2HG1 VAL 8 HG12 VAL 8 5.540 9.403 3.329 43 3HG1 VAL 8 HG13 VAL 8 4.941 10.401 2.004 44 1HG2 VAL 8 HG21 VAL 8 4.872 12.498 4.435 45 2HG2 VAL 8 HG22 VAL 8 6.426 13.310 4.255 46 3HG2 VAL 8 HG23 VAL 8 6.264 11.954 5.372 47 H ASP 9 HN ASP 9 9.396 9.249 4.618 48 HA ASP 9 HA ASP 9 9.727 8.066 6.528 49 1HB ASP 9 HB2 ASP 9 8.425 9.824 7.763 50 2HB ASP 9 HB1 ASP 9 6.957 8.927 7.399 51 H ILE 10 HN ILE 10 7.743 7.773 4.144 52 HA ILE 10 HA ILE 10 6.674 6.247 3.002 53 HB ILE 10 HB ILE 10 8.949 5.226 3.583 54 1HG1 ILE 10 HG11 ILE 10 8.343 3.339 2.182 55 2HG1 ILE 10 HG12 ILE 10 6.643 3.624 2.509 56 1HG2 ILE 10 HG21 ILE 10 7.520 4.196 5.686 57 2HG2 ILE 10 HG22 ILE 10 9.087 3.632 5.108 58 3HG2 ILE 10 HG23 ILE 10 7.608 2.853 4.546 59 1HD1 ILE 10 HD11 ILE 10 8.470 5.608 1.172 60 2HD1 ILE 10 HD12 ILE 10 6.719 5.749 1.382 61 3HD1 ILE 10 HD13 ILE 10 7.390 4.503 0.314 62 H GLY 11 HN GLY 11 6.513 5.345 6.459 63 1HA GLY 11 HA2 GLY 11 4.172 3.775 6.116 64 2HA GLY 11 HA1 GLY 11 4.738 4.424 7.634 65 H ASP 12 HN ASP 12 4.814 7.006 5.916 66 HA ASP 12 HA ASP 12 2.281 7.967 6.837 67 1HB ASP 12 HB2 ASP 12 4.272 9.421 6.844 68 2HB ASP 12 HB1 ASP 12 4.426 9.227 5.091 69 H ARG 13 HN ARG 13 3.854 7.083 3.894 70 HA ARG 13 HA ARG 13 1.987 7.830 1.954 71 1HB ARG 13 HB2 ARG 13 3.829 5.446 2.135 72 2HB ARG 13 HB1 ARG 13 3.164 6.094 0.663 73 1HG ARG 13 HG2 ARG 13 4.877 7.758 2.452 74 2HG ARG 13 HG1 ARG 13 5.592 6.633 1.297 75 1HD ARG 13 HD2 ARG 13 5.476 8.850 0.357 76 2HD ARG 13 HD1 ARG 13 4.418 7.746 -0.515 77 HE ARG 13 HE ARG 13 2.927 9.032 1.485 78 1HH1 ARG 13 HH11 ARG 13 4.511 9.763 -1.533 79 2HH1 ARG 13 HH12 ARG 13 3.448 11.076 -1.917 80 1HH2 ARG 13 HH21 ARG 13 1.529 10.755 0.987 81 2HH2 ARG 13 HH22 ARG 13 1.753 11.640 -0.485 82 H LEU 14 HN LEU 14 2.605 4.906 3.652 83 HA LEU 14 HA LEU 14 0.560 3.214 2.791 84 1HB LEU 14 HB2 LEU 14 2.394 3.524 5.121 85 2HB LEU 14 HB1 LEU 14 1.309 2.174 5.077 86 HG LEU 14 HG LEU 14 3.015 2.629 2.691 87 1HD1 LEU 14 HD11 LEU 14 4.007 1.972 5.410 88 2HD1 LEU 14 HD12 LEU 14 4.757 2.934 4.130 89 3HD1 LEU 14 HD13 LEU 14 4.741 1.170 4.019 90 1HD2 LEU 14 HD21 LEU 14 1.477 0.783 2.681 91 2HD2 LEU 14 HD22 LEU 14 2.113 0.195 4.217 92 3HD2 LEU 14 HD23 LEU 14 3.125 0.158 2.773 93 H ASP 15 HN ASP 15 0.922 4.928 5.873 94 HA ASP 15 HA ASP 15 -1.424 4.220 7.095 95 1HB ASP 15 HB1 ASP 15 0.507 5.617 8.015 96 2HB ASP 15 HB2 ASP 15 -0.258 7.001 7.246 97 H GLU 16 HN GLU 16 -0.846 7.131 5.189 98 HA GLU 16 HA GLU 16 -3.441 8.084 5.096 99 1HB GLU 16 HB2 GLU 16 -1.274 8.368 3.018 100 2HB GLU 16 HB1 GLU 16 -2.734 9.343 3.093 101 1HG GLU 16 HG2 GLU 16 -2.031 10.136 5.325 102 2HG GLU 16 HG1 GLU 16 -0.530 9.243 5.132 103 H LEU 17 HN LEU 17 -1.885 5.609 3.229 104 HA LEU 17 HA LEU 17 -3.828 5.428 1.177 105 1HB LEU 17 HB1 LEU 17 -1.364 4.484 1.350 106 2HB LEU 17 HB2 LEU 17 -2.150 3.090 2.049 107 HG LEU 17 HG LEU 17 -2.621 4.221 -0.716 108 1HD1 LEU 17 HD11 LEU 17 -1.729 2.049 -1.448 109 2HD1 LEU 17 HD12 LEU 17 -1.358 1.664 0.232 110 3HD1 LEU 17 HD13 LEU 17 -0.552 3.017 -0.562 111 1HD2 LEU 17 HD21 LEU 17 -4.589 3.231 -0.731 112 2HD2 LEU 17 HD22 LEU 17 -4.344 2.644 0.913 113 3HD2 LEU 17 HD23 LEU 17 -3.789 1.683 -0.457 114 H GLU 18 HN GLU 18 -3.369 4.013 4.301 115 HA GLU 18 HA GLU 18 -5.531 2.153 4.146 116 1HB GLU 18 HB2 GLU 18 -3.660 1.837 5.721 117 2HB GLU 18 HB1 GLU 18 -4.088 3.344 6.521 118 1HG GLU 18 HG1 GLU 18 -6.159 2.413 7.283 119 2HG GLU 18 HG2 GLU 18 -5.879 0.941 6.365 120 H LYS 19 HN LYS 19 -5.040 5.362 5.429 121 HA LYS 19 HA LYS 19 -7.506 5.646 6.633 122 1HB LYS 19 HB1 LYS 19 -6.033 7.857 5.248 123 2HB LYS 19 HB2 LYS 19 -7.031 7.965 6.694 124 1HG LYS 19 HG1 LYS 19 -5.312 6.448 7.779 125 2HG LYS 19 HG2 LYS 19 -4.312 6.777 6.382 126 1HD LYS 19 HD1 LYS 19 -3.754 8.275 8.224 127 2HD LYS 19 HD2 LYS 19 -4.383 9.157 6.831 128 1HE LYS 19 HE2 LYS 19 -6.591 9.232 7.900 129 2HE LYS 19 HE1 LYS 19 -5.927 8.398 9.303 130 1HZ LYS 19 HZ1 LYS 19 -4.418 10.266 9.640 131 2HZ LYS 19 HZ2 LYS 19 -6.031 10.771 9.684 132 3HZ LYS 19 HZ3 LYS 19 -5.089 11.069 8.311 133 H ALA 20 HN ALA 20 -6.375 6.025 3.376 134 HA ALA 20 HA ALA 20 -8.698 7.164 2.250 135 1HB ALA 20 HB1 ALA 20 -6.944 5.372 0.670 136 2HB ALA 20 HB2 ALA 20 -6.208 6.827 1.368 137 3HB ALA 20 HB3 ALA 20 -7.572 6.979 0.250 138 H LEU 21 HN LEU 21 -7.374 3.970 2.338 139 HA LEU 21 HA LEU 21 -9.297 2.587 0.963 140 1HB LEU 21 HB1 LEU 21 -6.977 2.107 2.346 141 2HB LEU 21 HB2 LEU 21 -8.174 1.161 3.146 142 HG LEU 21 HG LEU 21 -8.009 -0.362 1.624 143 1HD1 LEU 21 HD21 LEU 21 -8.528 1.764 -0.398 144 2HD1 LEU 21 HD22 LEU 21 -9.768 0.947 0.554 145 3HD1 LEU 21 HD23 LEU 21 -8.782 0.028 -0.595 146 1HD2 LEU 21 HD11 LEU 21 -6.378 -0.175 -0.151 147 2HD2 LEU 21 HD12 LEU 21 -5.729 0.358 1.406 148 3HD2 LEU 21 HD13 LEU 21 -6.220 1.552 0.196 149 H GLU 22 HN GLU 22 -9.025 3.270 4.373 150 HA GLU 22 HA GLU 22 -11.130 1.885 5.365 151 1HB GLU 22 HB2 GLU 22 -10.111 4.618 6.101 152 2HB GLU 22 HB1 GLU 22 -11.356 3.797 7.036 153 1HG GLU 22 HG2 GLU 22 -9.798 1.962 7.484 154 2HG GLU 22 HG1 GLU 22 -8.553 2.808 6.571 155 H ALA 23 HN ALA 23 -11.067 4.722 3.478 156 HA ALA 23 HA ALA 23 -13.829 5.364 3.805 157 1HB ALA 23 HB1 ALA 23 -12.937 7.296 3.091 158 2HB ALA 23 HB2 ALA 23 -13.029 6.596 1.474 159 3HB ALA 23 HB3 ALA 23 -11.530 6.481 2.401 160 H LEU 24 HN LEU 24 -11.825 3.823 1.334 161 HA LEU 24 HA LEU 24 -14.139 3.135 -0.241 162 1HB LEU 24 HB1 LEU 24 -11.214 2.723 -0.614 163 2HB LEU 24 HB2 LEU 24 -12.382 1.955 -1.673 164 HG LEU 24 HG LEU 24 -13.321 4.356 -1.957 165 1HD1 LEU 24 HD11 LEU 24 -10.665 4.786 -0.679 166 2HD1 LEU 24 HD12 LEU 24 -12.228 5.520 -0.303 167 3HD1 LEU 24 HD13 LEU 24 -11.363 5.987 -1.771 168 1HD2 LEU 24 HD21 LEU 24 -11.166 2.938 -3.251 169 2HD2 LEU 24 HD22 LEU 24 -11.047 4.686 -3.461 170 3HD2 LEU 24 HD23 LEU 24 -12.516 3.837 -3.942 171 H SER 25 HN SER 25 -13.380 1.910 2.481 172 HA SER 25 HA SER 25 -12.693 -0.727 2.329 173 1HB SER 25 HB1 SER 25 -14.054 -1.068 4.370 174 2HB SER 25 HB2 SER 25 -13.066 0.384 4.448 175 HG SER 25 HG SER 25 -15.194 0.785 5.154 176 H ALA 26 HN ALA 26 -13.452 -1.597 0.383 177 HA ALA 26 HA ALA 26 -14.851 -2.756 -0.994 178 1HB ALA 26 HB1 ALA 26 -16.505 -3.376 1.403 179 2HB ALA 26 HB2 ALA 26 -14.875 -4.027 1.236 180 3HB ALA 26 HB3 ALA 26 -16.107 -4.411 0.032 181 H GLU 27 HN GLU 27 -15.438 -0.027 -0.526 182 HA GLU 27 HA GLU 27 -18.133 0.551 -0.137 183 1HB GLU 27 HB1 GLU 27 -15.870 1.979 -1.453 184 2HB GLU 27 HB2 GLU 27 -17.481 2.675 -1.459 185 1HG GLU 27 HG2 GLU 27 -16.033 1.774 1.009 186 2HG GLU 27 HG1 GLU 27 -16.023 3.434 0.409 187 H ASP 28 HN ASP 28 -16.422 -0.263 -3.119 188 HA ASP 28 HA ASP 28 -18.924 -0.910 -4.365 189 1HB ASP 28 HB2 ASP 28 -18.547 1.619 -4.553 190 2HB ASP 28 HB1 ASP 28 -17.285 1.204 -5.702 191 H GLY 29 HN GLY 29 -17.011 -2.569 -3.829 192 1HA GLY 29 HA1 GLY 29 -15.694 -4.197 -4.727 193 2HA GLY 29 HA2 GLY 29 -16.393 -3.764 -6.279 194 H HIS 30 HN HIS 30 -14.320 -2.005 -4.002 195 HA HIS 30 HA HIS 30 -12.737 -0.999 -6.141 196 1HB HIS 30 HB1 HIS 30 -12.503 -0.741 -3.144 197 2HB HIS 30 HB2 HIS 30 -11.312 -0.062 -4.248 198 HD1 HIS 30 HD1 HIS 30 -12.569 1.481 -6.239 199 HD2 HIS 30 HD2 HIS 30 -14.423 1.107 -2.540 200 HE1 HIS 30 HE1 HIS 30 -14.160 3.417 -6.085 201 HE2 HIS 30 HE2 HIS 30 -15.347 3.109 -3.882 202 H ASP 31 HN ASP 31 -12.656 -3.720 -6.298 203 HA ASP 31 HA ASP 31 -10.516 -4.991 -5.037 204 1HB ASP 31 HB1 ASP 31 -10.572 -6.556 -6.974 205 2HB ASP 31 HB2 ASP 31 -12.162 -6.264 -6.279 206 H ASP 32 HN ASP 32 -10.563 -2.508 -7.349 207 HA ASP 32 HA ASP 32 -8.111 -2.981 -8.677 208 1HB ASP 32 HB2 ASP 32 -9.573 -0.387 -8.175 209 2HB ASP 32 HB1 ASP 32 -8.217 -0.576 -9.277 210 H VAL 33 HN VAL 33 -9.027 -1.501 -5.721 211 HA VAL 33 HA VAL 33 -6.672 -0.169 -5.114 212 HB VAL 33 HB VAL 33 -8.645 -1.449 -3.252 213 1HG1 VAL 33 HG21 VAL 33 -7.677 -0.355 -1.529 214 2HG1 VAL 33 HG22 VAL 33 -7.198 1.019 -2.522 215 3HG1 VAL 33 HG23 VAL 33 -6.238 -0.473 -2.548 216 1HG2 VAL 33 HG11 VAL 33 -9.267 0.331 -5.129 217 2HG2 VAL 33 HG12 VAL 33 -8.717 1.437 -3.865 218 3HG2 VAL 33 HG13 VAL 33 -10.033 0.310 -3.539 219 H GLY 34 HN GLY 34 -7.776 -3.430 -4.238 220 1HA GLY 34 HA2 GLY 34 -5.493 -4.159 -2.749 221 2HA GLY 34 HA1 GLY 34 -6.612 -5.269 -3.510 222 H GLN 35 HN GLN 35 -6.276 -4.366 -6.147 223 HA GLN 35 HA GLN 35 -4.144 -5.965 -6.967 224 1HB GLN 35 HB1 GLN 35 -5.758 -3.843 -8.338 225 2HB GLN 35 HB2 GLN 35 -4.517 -4.755 -9.189 226 1HG GLN 35 HG1 GLN 35 -6.954 -5.905 -7.843 227 2HG GLN 35 HG2 GLN 35 -6.758 -5.651 -9.575 228 1HE2 GLN 35 HE22 GLN 35 -6.267 -7.404 -10.655 229 2HE2 GLN 35 HE21 GLN 35 -5.362 -8.753 -10.065 230 H ARG 36 HN ARG 36 -4.404 -2.540 -6.402 231 HA ARG 36 HA ARG 36 -1.801 -1.922 -7.340 232 1HB ARG 36 HB2 ARG 36 -3.616 -0.321 -5.529 233 2HB ARG 36 HB1 ARG 36 -2.201 0.282 -6.382 234 1HG ARG 36 HG2 ARG 36 -4.618 -0.828 -7.766 235 2HG ARG 36 HG1 ARG 36 -4.363 0.888 -7.431 236 1HD ARG 36 HD2 ARG 36 -2.336 0.873 -8.720 237 2HD ARG 36 HD1 ARG 36 -2.467 -0.857 -8.974 238 HE ARG 36 HE ARG 36 -4.790 0.368 -9.955 239 1HH1 ARG 36 HH11 ARG 36 -1.383 0.175 -10.669 240 2HH1 ARG 36 HH12 ARG 36 -1.593 0.445 -12.367 241 1HH2 ARG 36 HH21 ARG 36 -5.074 0.724 -12.191 242 2HH2 ARG 36 HH22 ARG 36 -3.689 0.758 -13.231 243 H LEU 37 HN LEU 37 -3.395 -2.369 -4.256 244 HA LEU 37 HA LEU 37 -1.402 -1.903 -2.473 245 1HB LEU 37 HB1 LEU 37 -3.846 -3.443 -2.620 246 2HB LEU 37 HB2 LEU 37 -2.787 -3.911 -1.338 247 HG LEU 37 HG LEU 37 -3.833 -1.171 -1.877 248 1HD1 LEU 37 HD21 LEU 37 -5.645 -1.760 -0.729 249 2HD1 LEU 37 HD22 LEU 37 -4.617 -2.079 0.671 250 3HD1 LEU 37 HD23 LEU 37 -4.981 -3.375 -0.468 251 1HD2 LEU 37 HD11 LEU 37 -2.299 -2.126 0.530 252 2HD2 LEU 37 HD12 LEU 37 -2.719 -0.465 0.108 253 3HD2 LEU 37 HD13 LEU 37 -1.540 -1.351 -0.860 254 H GLU 38 HN GLU 38 -2.162 -4.802 -4.274 255 HA GLU 38 HA GLU 38 -0.170 -6.407 -3.054 256 1HB GLU 38 HB2 GLU 38 -2.396 -7.019 -4.287 257 2HB GLU 38 HB1 GLU 38 -1.371 -7.038 -5.709 258 1HG GLU 38 HG2 GLU 38 0.092 -8.682 -4.578 259 2HG GLU 38 HG1 GLU 38 -1.045 -8.717 -3.232 260 H SER 39 HN SER 39 -0.545 -4.834 -6.129 261 HA SER 39 HA SER 39 1.839 -5.563 -7.358 262 1HB SER 39 HB1 SER 39 0.368 -2.916 -7.503 263 2HB SER 39 HB2 SER 39 1.678 -3.384 -8.587 264 HG SER 39 HG SER 39 -0.032 -5.371 -8.604 265 H LEU 40 HN LEU 40 1.207 -2.919 -5.095 266 HA LEU 40 HA LEU 40 3.636 -1.684 -5.036 267 1HB LEU 40 HB1 LEU 40 1.651 -2.229 -2.848 268 2HB LEU 40 HB2 LEU 40 3.019 -1.172 -2.657 269 HG LEU 40 HG LEU 40 0.693 -0.782 -4.524 270 1HD1 LEU 40 HD21 LEU 40 1.457 1.250 -2.532 271 2HD1 LEU 40 HD22 LEU 40 0.801 -0.258 -1.887 272 3HD1 LEU 40 HD23 LEU 40 -0.140 0.691 -3.039 273 1HD2 LEU 40 HD11 LEU 40 1.838 0.723 -5.690 274 2HD2 LEU 40 HD12 LEU 40 3.291 0.037 -4.964 275 3HD2 LEU 40 HD13 LEU 40 2.519 1.446 -4.234 276 H LEU 41 HN LEU 41 2.481 -4.327 -2.985 277 HA LEU 41 HA LEU 41 4.970 -4.727 -1.707 278 1HB LEU 41 HB2 LEU 41 2.371 -5.929 -1.731 279 2HB LEU 41 HB1 LEU 41 3.646 -7.060 -1.417 280 HG LEU 41 HG LEU 41 3.003 -4.573 0.152 281 1HD1 LEU 41 HD21 LEU 41 3.128 -7.416 1.092 282 2HD1 LEU 41 HD22 LEU 41 1.647 -6.709 0.443 283 3HD1 LEU 41 HD23 LEU 41 2.387 -6.029 1.893 284 1HD2 LEU 41 HD11 LEU 41 5.524 -5.612 -0.238 285 2HD2 LEU 41 HD12 LEU 41 4.993 -6.346 1.282 286 3HD2 LEU 41 HD13 LEU 41 5.008 -4.591 1.106 287 H ARG 42 HN ARG 42 3.242 -6.763 -4.048 288 HA ARG 42 HA ARG 42 5.095 -8.724 -4.304 289 1HB ARG 42 HB2 ARG 42 2.915 -8.725 -5.485 290 2HB ARG 42 HB1 ARG 42 3.517 -7.495 -6.584 291 1HG ARG 42 HG1 ARG 42 3.590 -9.654 -7.645 292 2HG ARG 42 HG2 ARG 42 5.231 -9.067 -7.377 293 1HD ARG 42 HD1 ARG 42 5.396 -10.463 -5.372 294 2HD ARG 42 HD2 ARG 42 3.761 -11.056 -5.653 295 HE ARG 42 HE ARG 42 5.296 -11.534 -7.947 296 1HH1 ARG 42 HH11 ARG 42 5.040 -12.591 -4.637 297 2HH1 ARG 42 HH12 ARG 42 5.660 -14.176 -4.958 298 1HH2 ARG 42 HH21 ARG 42 6.114 -13.619 -8.380 299 2HH2 ARG 42 HH22 ARG 42 6.271 -14.759 -7.088 300 H ARG 43 HN ARG 43 5.249 -5.472 -5.393 301 HA ARG 43 HA ARG 43 7.639 -5.926 -6.935 302 1HB ARG 43 HB2 ARG 43 6.191 -3.352 -6.316 303 2HB ARG 43 HB1 ARG 43 7.585 -3.492 -7.374 304 1HG ARG 43 HG2 ARG 43 4.838 -4.634 -7.810 305 2HG ARG 43 HG1 ARG 43 5.635 -3.357 -8.732 306 1HD ARG 43 HD1 ARG 43 7.358 -5.016 -9.415 307 2HD ARG 43 HD2 ARG 43 6.411 -6.263 -8.603 308 HE ARG 43 HE ARG 43 4.736 -4.947 -10.402 309 1HH1 ARG 43 HH11 ARG 43 7.546 -7.008 -10.440 310 2HH1 ARG 43 HH12 ARG 43 7.164 -7.717 -11.974 311 1HH2 ARG 43 HH21 ARG 43 4.226 -5.875 -12.421 312 2HH2 ARG 43 HH22 ARG 43 5.278 -7.072 -13.100 313 H TRP 44 HN TRP 44 6.558 -4.654 -3.883 314 HA TRP 44 HA TRP 44 8.999 -3.519 -3.033 315 1HB TRP 44 HB2 TRP 44 6.835 -2.894 -2.059 316 2HB TRP 44 HB1 TRP 44 6.640 -4.541 -1.465 317 HD1 TRP 44 HD1 TRP 44 7.174 -4.803 0.903 318 HE1 TRP 44 HE1 TRP 44 8.723 -3.689 2.643 319 HE3 TRP 44 HE3 TRP 44 9.515 -1.410 -2.141 320 HZ2 TRP 44 HZ2 TRP 44 10.704 -1.690 2.684 321 HZ3 TRP 44 HZ3 TRP 44 11.222 0.052 -1.119 322 HH2 TRP 44 HH2 TRP 44 11.780 -0.074 1.202 323 H ASN 45 HN ASN 45 7.319 -6.509 -2.034 324 HA ASN 45 HA ASN 45 9.367 -7.597 -0.525 325 1HB ASN 45 HB1 ASN 45 7.072 -8.800 -2.023 326 2HB ASN 45 HB2 ASN 45 8.174 -9.800 -1.096 327 1HD2 ASN 45 HD21 ASN 45 5.356 -8.140 -1.059 328 2HD2 ASN 45 HD22 ASN 45 5.156 -7.968 0.641 329 H SER 46 HN SER 46 8.854 -7.647 -3.942 330 HA SER 46 HA SER 46 10.636 -9.710 -4.633 331 1HB SER 46 HB1 SER 46 9.011 -8.824 -6.228 332 2HB SER 46 HB2 SER 46 9.840 -7.269 -6.228 333 HG SER 46 HG SER 46 11.369 -8.067 -7.467 334 H ARG 47 HN ARG 47 11.100 -6.200 -4.415 335 HA ARG 47 HA ARG 47 13.776 -6.113 -5.189 336 1HB ARG 47 HB1 ARG 47 12.302 -4.334 -3.247 337 2HB ARG 47 HB2 ARG 47 13.844 -3.953 -4.001 338 1HG ARG 47 HG2 ARG 47 12.859 -3.837 -6.156 339 2HG ARG 47 HG1 ARG 47 11.340 -4.512 -5.565 340 1HD ARG 47 HD2 ARG 47 11.009 -2.552 -4.171 341 2HD ARG 47 HD1 ARG 47 12.525 -1.877 -4.742 342 HE ARG 47 HE ARG 47 10.040 -1.663 -6.022 343 1HH1 ARG 47 HH11 ARG 47 13.384 -2.310 -6.769 344 2HH1 ARG 47 HH12 ARG 47 13.272 -1.701 -8.386 345 1HH2 ARG 47 HH21 ARG 47 9.888 -0.859 -8.147 346 2HH2 ARG 47 HH22 ARG 47 11.286 -0.876 -9.169 347 H ARG 48 HN ARG 48 12.266 -6.871 -2.136 348 HA ARG 48 HA ARG 48 14.421 -6.715 -0.387 349 1HB ARG 48 HB2 ARG 48 12.203 -8.762 -0.468 350 2HB ARG 48 HB1 ARG 48 13.231 -8.457 0.909 351 1HG ARG 48 HG1 ARG 48 11.235 -6.581 -0.328 352 2HG ARG 48 HG2 ARG 48 11.112 -7.387 1.239 353 1HD ARG 48 HD1 ARG 48 13.273 -5.456 0.478 354 2HD ARG 48 HD2 ARG 48 11.816 -5.010 1.370 355 HE ARG 48 HE ARG 48 13.041 -7.124 2.717 356 1HH1 ARG 48 HH11 ARG 48 13.699 -3.795 1.925 357 2HH1 ARG 48 HH12 ARG 48 14.676 -3.522 3.329 358 1HH2 ARG 48 HH21 ARG 48 14.323 -6.771 4.567 359 2HH2 ARG 48 HH22 ARG 48 15.029 -5.213 4.832 360 H ALA 49 HN ALA 49 13.246 -9.452 -2.239 361 HA ALA 49 HA ALA 49 15.238 -11.290 -1.642 362 1HB ALA 49 HB1 ALA 49 14.537 -12.137 -4.066 363 2HB ALA 49 HB2 ALA 49 13.213 -11.009 -3.772 364 3HB ALA 49 HB3 ALA 49 13.502 -12.342 -2.653 365 H ASP 50 HN ASP 50 15.108 -8.825 -4.086 366 HA ASP 50 HA ASP 50 16.611 -8.077 -5.633 367 1HB ASP 50 HB2 ASP 50 17.601 -7.365 -3.460 368 2HB ASP 50 HB1 ASP 50 18.589 -8.822 -3.473 369 H ALA 51 HN ALA 51 15.862 -10.719 -6.085 370 HA ALA 51 HA ALA 51 17.969 -11.595 -7.780 371 1HB ALA 51 HB1 ALA 51 18.035 -12.584 -5.125 372 2HB ALA 51 HB2 ALA 51 19.061 -13.030 -6.488 373 3HB ALA 51 HB3 ALA 51 17.564 -13.912 -6.186 374 HA PRO 52 HA PRO 52 13.535 -12.906 -8.695 375 1HB PRO 52 HB2 PRO 52 13.346 -11.609 -11.082 376 2HB PRO 52 HB1 PRO 52 12.905 -10.870 -9.542 377 1HG PRO 52 HG1 PRO 52 15.429 -10.589 -11.124 378 2HG PRO 52 HG2 PRO 52 14.490 -9.341 -10.285 379 1HD PRO 52 HD2 PRO 52 16.738 -10.411 -9.236 380 2HD PRO 52 HD1 PRO 52 15.380 -9.880 -8.225 381 H SER 53 HN SER 53 13.535 -12.831 -11.781 382 HA SER 53 HA SER 53 15.554 -14.631 -12.644 383 1HB SER 53 HB2 SER 53 14.285 -16.216 -11.264 384 2HB SER 53 HB1 SER 53 12.811 -15.817 -12.146 385 HG SER 53 HG SER 53 14.938 -16.579 -13.724 386 H THR 54 HN THR 54 14.859 -12.328 -13.757 387 HA THR 54 HA THR 54 14.061 -13.070 -16.386 388 HB THR 54 HB THR 54 11.816 -12.954 -15.485 389 HG1 THR 54 HG1 THR 54 11.012 -11.484 -16.967 390 1HG2 THR 54 HG21 THR 54 10.914 -10.943 -14.470 391 2HG2 THR 54 HG22 THR 54 12.465 -10.125 -14.653 392 3HG2 THR 54 HG23 THR 54 12.316 -11.495 -13.553 393 H SER 55 HN SER 55 14.552 -10.459 -14.059 394 HA SER 55 HA SER 55 15.044 -8.378 -15.862 395 1HB SER 55 HB1 SER 55 16.220 -8.811 -13.104 396 2HB SER 55 HB2 SER 55 16.234 -7.286 -13.991 397 HG SER 55 HG SER 55 14.205 -8.485 -12.587 398 H ALA 56 HN ALA 56 17.241 -10.757 -14.433 399 HA ALA 56 HA ALA 56 19.642 -9.740 -15.454 400 1HB ALA 56 HB1 ALA 56 19.347 -11.535 -13.697 401 2HB ALA 56 HB2 ALA 56 20.619 -11.815 -14.887 402 3HB ALA 56 HB3 ALA 56 19.079 -12.664 -15.026 403 H ILE 57 HN ILE 57 20.708 -9.971 -17.357 404 HA ILE 57 HA ILE 57 19.279 -10.444 -19.697 405 HB ILE 57 HB ILE 57 21.532 -10.528 -20.824 406 1HG1 ILE 57 HG11 ILE 57 23.433 -9.726 -19.358 407 2HG1 ILE 57 HG12 ILE 57 22.435 -10.137 -17.967 408 1HG2 ILE 57 HG21 ILE 57 21.798 -8.088 -19.331 409 2HG2 ILE 57 HG22 ILE 57 20.102 -8.418 -19.684 410 3HG2 ILE 57 HG23 ILE 57 21.275 -8.334 -20.998 411 1HD1 ILE 57 HD11 ILE 57 23.355 -12.143 -18.069 412 2HD1 ILE 57 HD12 ILE 57 24.031 -11.836 -19.670 413 3HD1 ILE 57 HD13 ILE 57 22.368 -12.408 -19.507 414 H SER 58 HN SER 58 19.300 -12.092 -21.232 415 HA SER 58 HA SER 58 19.278 -14.715 -20.141 416 1HB SER 58 HB1 SER 58 19.077 -13.761 -23.007 417 2HB SER 58 HB2 SER 58 18.789 -15.419 -22.484 418 HG SER 58 HG SER 58 16.856 -14.834 -21.967 419 H GLU 59 HN GLU 59 20.401 -15.718 -22.857 420 HA GLU 59 HA GLU 59 23.252 -15.309 -22.489 421 1HB GLU 59 HB2 GLU 59 21.979 -18.039 -22.200 422 2HB GLU 59 HB1 GLU 59 23.707 -17.747 -22.342 423 1HG GLU 59 HG1 GLU 59 23.670 -16.483 -20.255 424 2HG GLU 59 HG2 GLU 59 21.935 -16.767 -20.114 425 H ASP 60 HN ASP 60 21.672 -14.513 -24.592 426 HA ASP 60 HA ASP 60 21.446 -16.332 -26.716 427 1HB ASP 60 HB2 ASP 60 20.294 -14.170 -26.705 428 2HB ASP 60 HB1 ASP 60 21.840 -13.332 -26.808 429 1H GLY 1 HT1 GLY 1 -12.689 22.749 8.728 430 2H GLY 1 HT2 GLY 1 -11.066 23.141 8.999 431 3H GLY 1 HT3 GLY 1 -11.520 21.526 8.788 432 1HA GLY 1 HA2 GLY 1 -12.204 22.001 6.505 433 2HA GLY 1 HA1 GLY 1 -11.672 23.660 6.730 434 H SER 2 HN SER 2 -10.819 21.180 5.067 435 HA SER 2 HA SER 2 -8.899 20.442 4.103 436 1HB SER 2 HB1 SER 2 -8.331 22.838 3.957 437 2HB SER 2 HB2 SER 2 -7.609 22.761 5.564 438 HG SER 2 HG SER 2 -6.486 22.193 3.230 439 H ALA 3 HN ALA 3 -7.586 18.780 4.560 440 HA ALA 3 HA ALA 3 -6.009 18.540 6.891 441 1HB ALA 3 HB1 ALA 3 -8.129 18.216 8.021 442 2HB ALA 3 HB2 ALA 3 -7.222 16.703 8.003 443 3HB ALA 3 HB3 ALA 3 -8.567 16.938 6.887 444 H ALA 4 HN ALA 4 -6.695 15.515 6.864 445 HA ALA 4 HA ALA 4 -4.620 14.710 5.157 446 1HB ALA 4 HB1 ALA 4 -4.889 13.017 6.593 447 2HB ALA 4 HB2 ALA 4 -6.129 12.444 5.477 448 3HB ALA 4 HB3 ALA 4 -6.584 13.410 6.879 449 H SER 5 HN SER 5 -8.139 14.654 4.736 450 HA SER 5 HA SER 5 -9.464 14.379 2.910 451 1HB SER 5 HB1 SER 5 -7.015 15.489 1.522 452 2HB SER 5 HB2 SER 5 -8.597 15.312 0.765 453 HG SER 5 HG SER 5 -9.132 17.120 1.653 454 HA PRO 6 HA PRO 6 -7.086 10.421 1.824 455 1HB PRO 6 HB1 PRO 6 -8.891 8.709 2.982 456 2HB PRO 6 HB2 PRO 6 -7.433 9.300 3.781 457 1HG PRO 6 HG2 PRO 6 -10.256 10.222 4.060 458 2HG PRO 6 HG1 PRO 6 -8.998 10.058 5.298 459 1HD PRO 6 HD2 PRO 6 -9.701 12.446 4.227 460 2HD PRO 6 HD1 PRO 6 -8.056 12.093 4.793 461 H ALA 7 HN ALA 7 -8.742 8.261 1.221 462 HA ALA 7 HA ALA 7 -9.873 7.476 -0.606 463 1HB ALA 7 HB1 ALA 7 -11.998 9.462 -0.507 464 2HB ALA 7 HB2 ALA 7 -11.612 8.789 1.078 465 3HB ALA 7 HB3 ALA 7 -12.064 7.718 -0.249 466 H VAL 8 HN VAL 8 -7.868 9.399 -1.188 467 HA VAL 8 HA VAL 8 -8.857 11.257 -3.135 468 HB VAL 8 HB VAL 8 -6.810 11.645 -1.775 469 1HG1 VAL 8 HG11 VAL 8 -4.844 10.370 -3.300 470 2HG1 VAL 8 HG12 VAL 8 -6.036 9.134 -2.897 471 3HG1 VAL 8 HG13 VAL 8 -5.273 10.074 -1.615 472 1HG2 VAL 8 HG21 VAL 8 -5.376 12.351 -3.829 473 2HG2 VAL 8 HG22 VAL 8 -6.954 13.096 -3.570 474 3HG2 VAL 8 HG23 VAL 8 -6.772 11.807 -4.760 475 H ASP 9 HN ASP 9 -10.006 9.162 -4.018 476 HA ASP 9 HA ASP 9 -10.383 8.015 -5.955 477 1HB ASP 9 HB1 ASP 9 -8.957 9.737 -7.102 478 2HB ASP 9 HB2 ASP 9 -7.555 8.726 -6.777 479 H ILE 10 HN ILE 10 -8.024 7.484 -3.672 480 HA ILE 10 HA ILE 10 -7.144 5.621 -2.713 481 HB ILE 10 HB ILE 10 -9.463 4.667 -3.577 482 1HG1 ILE 10 HG12 ILE 10 -8.804 2.494 -2.530 483 2HG1 ILE 10 HG11 ILE 10 -7.133 3.046 -2.544 484 1HG2 ILE 10 HG21 ILE 10 -7.970 4.030 -5.761 485 2HG2 ILE 10 HG22 ILE 10 -9.454 3.209 -5.275 486 3HG2 ILE 10 HG23 ILE 10 -7.885 2.540 -4.822 487 1HD1 ILE 10 HD11 ILE 10 -9.436 4.073 -0.935 488 2HD1 ILE 10 HD12 ILE 10 -7.990 5.051 -1.203 489 3HD1 ILE 10 HD13 ILE 10 -7.863 3.493 -0.387 490 H GLY 11 HN GLY 11 -7.166 5.578 -6.261 491 1HA GLY 11 HA2 GLY 11 -4.885 3.929 -6.559 492 2HA GLY 11 HA1 GLY 11 -5.533 5.023 -7.774 493 H ASP 12 HN ASP 12 -5.344 7.361 -6.067 494 HA ASP 12 HA ASP 12 -2.730 8.200 -6.729 495 1HB ASP 12 HB2 ASP 12 -4.671 9.734 -6.529 496 2HB ASP 12 HB1 ASP 12 -4.681 9.464 -4.789 497 H ARG 13 HN ARG 13 -4.247 7.212 -3.688 498 HA ARG 13 HA ARG 13 -2.117 7.717 -1.943 499 1HB ARG 13 HB2 ARG 13 -4.077 5.416 -1.788 500 2HB ARG 13 HB1 ARG 13 -3.175 6.115 -0.454 501 1HG ARG 13 HG2 ARG 13 -5.066 7.798 -2.032 502 2HG ARG 13 HG1 ARG 13 -5.664 6.717 -0.775 503 1HD ARG 13 HD2 ARG 13 -5.334 8.916 0.149 504 2HD ARG 13 HD1 ARG 13 -4.156 7.802 0.841 505 HE ARG 13 HE ARG 13 -2.960 9.031 -1.350 506 1HH1 ARG 13 HH11 ARG 13 -4.229 9.904 1.774 507 2HH1 ARG 13 HH12 ARG 13 -3.143 11.236 1.989 508 1HH2 ARG 13 HH21 ARG 13 -1.522 10.785 -1.077 509 2HH2 ARG 13 HH22 ARG 13 -1.604 11.737 0.368 510 H LEU 14 HN LEU 14 -2.999 4.819 -3.744 511 HA LEU 14 HA LEU 14 -0.845 3.196 -2.930 512 1HB LEU 14 HB2 LEU 14 -2.627 3.112 -5.360 513 2HB LEU 14 HB1 LEU 14 -1.485 1.848 -4.948 514 HG LEU 14 HG LEU 14 -3.389 2.578 -2.811 515 1HD1 LEU 14 HD11 LEU 14 -4.268 1.734 -5.496 516 2HD1 LEU 14 HD12 LEU 14 -5.151 2.576 -4.222 517 3HD1 LEU 14 HD13 LEU 14 -4.941 0.827 -4.141 518 1HD2 LEU 14 HD21 LEU 14 -1.816 0.777 -2.515 519 2HD2 LEU 14 HD22 LEU 14 -2.375 0.000 -3.997 520 3HD2 LEU 14 HD23 LEU 14 -3.449 0.115 -2.601 521 H ASP 15 HN ASP 15 -1.342 5.224 -5.789 522 HA ASP 15 HA ASP 15 0.984 4.546 -7.171 523 1HB ASP 15 HB2 ASP 15 -0.930 5.849 -8.105 524 2HB ASP 15 HB1 ASP 15 -0.396 7.239 -7.167 525 H GLU 16 HN GLU 16 0.398 7.224 -4.896 526 HA GLU 16 HA GLU 16 3.010 8.262 -4.966 527 1HB GLU 16 HB1 GLU 16 0.962 8.375 -2.742 528 2HB GLU 16 HB2 GLU 16 2.416 9.358 -2.823 529 1HG GLU 16 HG1 GLU 16 1.602 10.360 -4.911 530 2HG GLU 16 HG2 GLU 16 0.128 9.404 -4.778 531 H LEU 17 HN LEU 17 1.485 5.798 -2.955 532 HA LEU 17 HA LEU 17 3.609 5.374 -1.155 533 1HB LEU 17 HB1 LEU 17 1.324 4.494 -0.833 534 2HB LEU 17 HB2 LEU 17 1.557 3.405 -2.178 535 HG LEU 17 HG LEU 17 2.965 2.004 -0.983 536 1HD1 LEU 17 HD21 LEU 17 3.345 3.951 1.257 537 2HD1 LEU 17 HD22 LEU 17 4.387 3.974 -0.167 538 3HD1 LEU 17 HD23 LEU 17 4.302 2.530 0.842 539 1HD2 LEU 17 HD11 LEU 17 1.832 2.227 1.499 540 2HD2 LEU 17 HD12 LEU 17 1.148 1.351 0.129 541 3HD2 LEU 17 HD13 LEU 17 0.641 3.010 0.458 542 H GLU 18 HN GLU 18 2.915 4.147 -4.379 543 HA GLU 18 HA GLU 18 4.978 2.192 -4.465 544 1HB GLU 18 HB1 GLU 18 2.920 2.450 -6.009 545 2HB GLU 18 HB2 GLU 18 3.896 3.623 -6.879 546 1HG GLU 18 HG2 GLU 18 5.632 1.857 -7.155 547 2HG GLU 18 HG1 GLU 18 4.495 0.711 -6.464 548 H LYS 19 HN LYS 19 4.706 5.432 -5.903 549 HA LYS 19 HA LYS 19 7.260 5.647 -6.961 550 1HB LYS 19 HB1 LYS 19 5.680 7.893 -5.688 551 2HB LYS 19 HB2 LYS 19 6.926 8.050 -6.918 552 1HG LYS 19 HG2 LYS 19 5.510 6.882 -8.518 553 2HG LYS 19 HG1 LYS 19 4.263 6.695 -7.287 554 1HD LYS 19 HD1 LYS 19 3.686 8.554 -8.697 555 2HD LYS 19 HD2 LYS 19 4.140 9.166 -7.106 556 1HE LYS 19 HE2 LYS 19 6.357 9.731 -7.940 557 2HE LYS 19 HE1 LYS 19 5.938 9.080 -9.524 558 1HZ LYS 19 HZ1 LYS 19 4.095 10.769 -9.545 559 2HZ LYS 19 HZ2 LYS 19 5.661 11.396 -9.665 560 3HZ LYS 19 HZ3 LYS 19 4.826 11.483 -8.196 561 H ALA 20 HN ALA 20 6.062 6.089 -3.727 562 HA ALA 20 HA ALA 20 8.386 7.250 -2.612 563 1HB ALA 20 HB1 ALA 20 6.512 5.616 -0.975 564 2HB ALA 20 HB2 ALA 20 5.932 7.103 -1.726 565 3HB ALA 20 HB3 ALA 20 7.290 7.154 -0.601 566 H LEU 21 HN LEU 21 7.165 3.878 -2.633 567 HA LEU 21 HA LEU 21 9.266 2.765 -1.163 568 1HB LEU 21 HB1 LEU 21 7.780 1.443 -3.426 569 2HB LEU 21 HB2 LEU 21 8.750 0.625 -2.218 570 HG LEU 21 HG LEU 21 5.972 1.507 -2.110 571 1HD1 LEU 21 HD21 LEU 21 6.948 -0.241 -0.030 572 2HD1 LEU 21 HD22 LEU 21 7.457 -0.767 -1.633 573 3HD1 LEU 21 HD23 LEU 21 5.744 -0.539 -1.282 574 1HD2 LEU 21 HD11 LEU 21 7.613 1.830 0.383 575 2HD2 LEU 21 HD12 LEU 21 5.894 2.156 0.165 576 3HD2 LEU 21 HD13 LEU 21 7.091 3.188 -0.614 577 H GLU 22 HN GLU 22 8.976 3.473 -4.610 578 HA GLU 22 HA GLU 22 11.167 2.191 -5.637 579 1HB GLU 22 HB1 GLU 22 10.246 5.002 -6.281 580 2HB GLU 22 HB2 GLU 22 11.334 4.046 -7.276 581 1HG GLU 22 HG1 GLU 22 9.554 2.375 -7.578 582 2HG GLU 22 HG2 GLU 22 8.467 3.393 -6.636 583 H ALA 23 HN ALA 23 11.030 5.043 -3.634 584 HA ALA 23 HA ALA 23 13.816 5.680 -3.855 585 1HB ALA 23 HB1 ALA 23 12.842 7.593 -3.202 586 2HB ALA 23 HB2 ALA 23 12.990 6.926 -1.576 587 3HB ALA 23 HB3 ALA 23 11.475 6.760 -2.463 588 H LEU 24 HN LEU 24 11.761 4.065 -1.444 589 HA LEU 24 HA LEU 24 14.071 3.385 0.202 590 1HB LEU 24 HB2 LEU 24 11.169 2.617 0.548 591 2HB LEU 24 HB1 LEU 24 12.443 2.347 1.712 592 HG LEU 24 HG LEU 24 11.092 4.186 2.432 593 1HD1 LEU 24 HD21 LEU 24 13.274 4.539 3.111 594 2HD1 LEU 24 HD22 LEU 24 12.846 6.058 2.321 595 3HD1 LEU 24 HD23 LEU 24 13.838 4.871 1.473 596 1HD2 LEU 24 HD11 LEU 24 10.446 4.679 -0.026 597 2HD2 LEU 24 HD12 LEU 24 11.815 5.789 0.031 598 3HD2 LEU 24 HD13 LEU 24 10.472 5.989 1.157 599 H SER 25 HN SER 25 13.163 2.196 -2.590 600 HA SER 25 HA SER 25 12.448 -0.430 -2.354 601 1HB SER 25 HB2 SER 25 13.464 -0.820 -4.517 602 2HB SER 25 HB1 SER 25 12.683 0.755 -4.497 603 HG SER 25 HG SER 25 14.698 1.004 -5.415 604 H ALA 26 HN ALA 26 13.380 -1.203 -0.427 605 HA ALA 26 HA ALA 26 14.874 -2.332 0.854 606 1HB ALA 26 HB1 ALA 26 16.273 -3.323 -1.572 607 2HB ALA 26 HB2 ALA 26 14.552 -3.671 -1.404 608 3HB ALA 26 HB3 ALA 26 15.686 -4.205 -0.162 609 H GLU 27 HN GLU 27 15.605 0.329 0.429 610 HA GLU 27 HA GLU 27 18.310 0.606 -0.393 611 1HB GLU 27 HB2 GLU 27 16.494 2.380 1.230 612 2HB GLU 27 HB1 GLU 27 18.129 2.837 0.775 613 1HG GLU 27 HG1 GLU 27 15.930 2.139 -1.153 614 2HG GLU 27 HG2 GLU 27 16.417 3.774 -0.713 615 H ASP 28 HN ASP 28 16.774 0.124 2.756 616 HA ASP 28 HA ASP 28 19.319 -0.730 3.844 617 1HB ASP 28 HB1 ASP 28 19.331 1.728 4.178 618 2HB ASP 28 HB2 ASP 28 17.835 1.592 5.093 619 H GLY 29 HN GLY 29 17.403 -2.457 3.476 620 1HA GLY 29 HA1 GLY 29 16.097 -4.028 4.523 621 2HA GLY 29 HA2 GLY 29 16.794 -3.453 6.031 622 H HIS 30 HN HIS 30 14.699 -1.892 3.632 623 HA HIS 30 HA HIS 30 13.080 -0.702 5.659 624 1HB HIS 30 HB2 HIS 30 12.966 -0.792 2.657 625 2HB HIS 30 HB1 HIS 30 11.680 -0.032 3.582 626 HD1 HIS 30 HD1 HIS 30 13.021 1.649 5.583 627 HD2 HIS 30 HD2 HIS 30 14.602 1.142 1.773 628 HE1 HIS 30 HE1 HIS 30 14.546 3.614 5.225 629 HE2 HIS 30 HE2 HIS 30 15.569 3.236 2.953 630 H ASP 31 HN ASP 31 13.093 -3.564 5.836 631 HA ASP 31 HA ASP 31 10.936 -4.877 4.736 632 1HB ASP 31 HB1 ASP 31 10.977 -6.323 6.761 633 2HB ASP 31 HB2 ASP 31 12.572 -6.066 6.063 634 H ASP 32 HN ASP 32 10.985 -2.435 7.197 635 HA ASP 32 HA ASP 32 8.517 -2.854 8.421 636 1HB ASP 32 HB1 ASP 32 9.884 -0.221 7.822 637 2HB ASP 32 HB2 ASP 32 8.578 -0.451 8.978 638 H VAL 33 HN VAL 33 9.331 -1.115 5.439 639 HA VAL 33 HA VAL 33 6.799 -0.062 4.901 640 HB VAL 33 HB VAL 33 8.714 -0.996 2.768 641 1HG1 VAL 33 HG21 VAL 33 7.509 0.236 1.325 642 2HG1 VAL 33 HG22 VAL 33 7.175 1.498 2.513 643 3HG1 VAL 33 HG23 VAL 33 6.224 0.011 2.511 644 1HG2 VAL 33 HG11 VAL 33 9.384 0.707 4.824 645 2HG2 VAL 33 HG12 VAL 33 8.864 1.809 3.548 646 3HG2 VAL 33 HG13 VAL 33 10.156 0.648 3.239 647 H GLY 34 HN GLY 34 8.173 -3.230 4.338 648 1HA GLY 34 HA1 GLY 34 6.091 -4.230 2.682 649 2HA GLY 34 HA2 GLY 34 7.251 -5.196 3.581 650 H GLN 35 HN GLN 35 6.663 -4.316 6.172 651 HA GLN 35 HA GLN 35 4.505 -5.984 6.842 652 1HB GLN 35 HB1 GLN 35 5.854 -3.808 8.450 653 2HB GLN 35 HB2 GLN 35 4.722 -4.979 9.113 654 1HG GLN 35 HG2 GLN 35 7.356 -5.645 7.818 655 2HG GLN 35 HG1 GLN 35 7.056 -5.573 9.553 656 1HE2 GLN 35 HE22 GLN 35 6.749 -7.461 10.461 657 2HE2 GLN 35 HE21 GLN 35 6.064 -8.861 9.713 658 H ARG 36 HN ARG 36 4.768 -2.465 6.567 659 HA ARG 36 HA ARG 36 2.118 -1.886 7.383 660 1HB ARG 36 HB2 ARG 36 3.956 -0.290 5.584 661 2HB ARG 36 HB1 ARG 36 2.512 0.321 6.378 662 1HG ARG 36 HG1 ARG 36 4.948 -0.722 7.803 663 2HG ARG 36 HG2 ARG 36 4.591 0.980 7.513 664 1HD ARG 36 HD1 ARG 36 2.561 0.806 8.827 665 2HD ARG 36 HD2 ARG 36 2.836 -0.916 9.058 666 HE ARG 36 HE ARG 36 5.077 0.461 10.000 667 1HH1 ARG 36 HH11 ARG 36 1.706 0.055 10.774 668 2HH1 ARG 36 HH12 ARG 36 1.930 0.319 12.470 669 1HH2 ARG 36 HH21 ARG 36 5.383 0.810 12.231 670 2HH2 ARG 36 HH22 ARG 36 4.021 0.749 13.299 671 H LEU 37 HN LEU 37 3.639 -2.153 4.197 672 HA LEU 37 HA LEU 37 1.420 -1.672 2.591 673 1HB LEU 37 HB1 LEU 37 4.048 -2.277 2.188 674 2HB LEU 37 HB2 LEU 37 3.278 -3.756 1.655 675 HG LEU 37 HG LEU 37 2.799 -0.989 0.544 676 1HD1 LEU 37 HD21 LEU 37 4.947 -2.021 -0.060 677 2HD1 LEU 37 HD22 LEU 37 3.869 -1.857 -1.447 678 3HD1 LEU 37 HD23 LEU 37 4.082 -3.430 -0.677 679 1HD2 LEU 37 HD11 LEU 37 1.716 -3.400 -0.796 680 2HD2 LEU 37 HD12 LEU 37 1.080 -1.757 -0.730 681 3HD2 LEU 37 HD13 LEU 37 0.870 -2.838 0.646 682 H GLU 38 HN GLU 38 2.585 -4.632 4.089 683 HA GLU 38 HA GLU 38 0.665 -6.358 2.896 684 1HB GLU 38 HB2 GLU 38 2.961 -6.670 4.451 685 2HB GLU 38 HB1 GLU 38 1.659 -7.275 5.467 686 1HG GLU 38 HG2 GLU 38 0.952 -8.677 3.490 687 2HG GLU 38 HG1 GLU 38 2.476 -8.222 2.741 688 H SER 39 HN SER 39 0.853 -4.591 5.943 689 HA SER 39 HA SER 39 -1.413 -5.708 7.173 690 1HB SER 39 HB1 SER 39 -0.181 -2.963 7.515 691 2HB SER 39 HB2 SER 39 -1.393 -3.662 8.588 692 HG SER 39 HG SER 39 0.380 -5.487 8.513 693 H LEU 40 HN LEU 40 -1.020 -2.898 5.061 694 HA LEU 40 HA LEU 40 -3.636 -1.912 5.204 695 1HB LEU 40 HB2 LEU 40 -1.841 -1.859 2.779 696 2HB LEU 40 HB1 LEU 40 -3.168 -0.774 3.122 697 HG LEU 40 HG LEU 40 -0.538 -0.910 4.586 698 1HD1 LEU 40 HD21 LEU 40 -1.701 1.408 3.080 699 2HD1 LEU 40 HD22 LEU 40 -0.719 0.179 2.282 700 3HD1 LEU 40 HD23 LEU 40 -0.033 1.144 3.590 701 1HD2 LEU 40 HD11 LEU 40 -1.361 0.320 6.254 702 2HD2 LEU 40 HD12 LEU 40 -2.943 -0.232 5.705 703 3HD2 LEU 40 HD13 LEU 40 -2.315 1.324 5.161 704 H LEU 41 HN LEU 41 -2.144 -4.180 2.943 705 HA LEU 41 HA LEU 41 -4.507 -4.652 1.449 706 1HB LEU 41 HB2 LEU 41 -2.120 -4.931 0.687 707 2HB LEU 41 HB1 LEU 41 -2.073 -6.411 1.621 708 HG LEU 41 HG LEU 41 -3.582 -7.504 0.184 709 1HD1 LEU 41 HD11 LEU 41 -5.365 -6.131 -0.254 710 2HD1 LEU 41 HD12 LEU 41 -4.521 -6.056 -1.803 711 3HD1 LEU 41 HD13 LEU 41 -4.341 -4.745 -0.636 712 1HD2 LEU 41 HD21 LEU 41 -2.409 -7.533 -1.816 713 2HD2 LEU 41 HD22 LEU 41 -1.226 -6.863 -0.691 714 3HD2 LEU 41 HD23 LEU 41 -2.113 -5.793 -1.781 715 H ARG 42 HN ARG 42 -2.971 -6.340 4.155 716 HA ARG 42 HA ARG 42 -4.558 -8.658 4.100 717 1HB ARG 42 HB1 ARG 42 -2.524 -8.494 5.462 718 2HB ARG 42 HB2 ARG 42 -3.287 -7.281 6.477 719 1HG ARG 42 HG2 ARG 42 -3.291 -9.433 7.578 720 2HG ARG 42 HG1 ARG 42 -4.939 -8.934 7.207 721 1HD ARG 42 HD2 ARG 42 -4.942 -10.385 5.240 722 2HD ARG 42 HD1 ARG 42 -3.287 -10.875 5.597 723 HE ARG 42 HE ARG 42 -4.853 -11.406 7.848 724 1HH1 ARG 42 HH11 ARG 42 -4.525 -12.488 4.551 725 2HH1 ARG 42 HH12 ARG 42 -5.080 -14.093 4.887 726 1HH2 ARG 42 HH21 ARG 42 -5.585 -13.519 8.299 727 2HH2 ARG 42 HH22 ARG 42 -5.682 -14.679 7.016 728 H ARG 43 HN ARG 43 -4.970 -5.571 5.785 729 HA ARG 43 HA ARG 43 -7.478 -6.276 6.959 730 1HB ARG 43 HB1 ARG 43 -6.298 -3.530 6.481 731 2HB ARG 43 HB2 ARG 43 -7.628 -3.908 7.563 732 1HG ARG 43 HG2 ARG 43 -4.786 -4.859 7.858 733 2HG ARG 43 HG1 ARG 43 -5.559 -3.575 8.791 734 1HD ARG 43 HD1 ARG 43 -7.177 -5.202 9.665 735 2HD ARG 43 HD2 ARG 43 -6.371 -6.479 8.754 736 HE ARG 43 HE ARG 43 -4.477 -5.205 10.378 737 1HH1 ARG 43 HH11 ARG 43 -7.280 -7.257 10.658 738 2HH1 ARG 43 HH12 ARG 43 -6.756 -7.988 12.139 739 1HH2 ARG 43 HH21 ARG 43 -3.780 -6.162 12.327 740 2HH2 ARG 43 HH22 ARG 43 -4.768 -7.366 13.087 741 H TRP 44 HN TRP 44 -6.412 -4.621 4.064 742 HA TRP 44 HA TRP 44 -8.820 -3.557 3.140 743 1HB TRP 44 HB2 TRP 44 -6.680 -2.997 2.143 744 2HB TRP 44 HB1 TRP 44 -6.462 -4.657 1.600 745 HD1 TRP 44 HD1 TRP 44 -6.686 -4.662 -0.929 746 HE1 TRP 44 HE1 TRP 44 -8.314 -3.655 -2.643 747 HE3 TRP 44 HE3 TRP 44 -9.613 -1.901 2.239 748 HZ2 TRP 44 HZ2 TRP 44 -10.514 -1.920 -2.654 749 HZ3 TRP 44 HZ3 TRP 44 -11.463 -0.597 1.263 750 HH2 TRP 44 HH2 TRP 44 -11.903 -0.607 -1.120 751 H ASN 45 HN ASN 45 -7.310 -6.693 2.381 752 HA ASN 45 HA ASN 45 -9.466 -7.660 0.822 753 1HB ASN 45 HB2 ASN 45 -7.211 -9.121 2.211 754 2HB ASN 45 HB1 ASN 45 -8.344 -9.883 1.102 755 1HD2 ASN 45 HD21 ASN 45 -5.349 -8.692 1.304 756 2HD2 ASN 45 HD22 ASN 45 -5.095 -8.204 -0.334 757 H SER 46 HN SER 46 -8.601 -7.973 4.227 758 HA SER 46 HA SER 46 -10.387 -9.942 5.010 759 1HB SER 46 HB2 SER 46 -8.686 -9.018 6.517 760 2HB SER 46 HB1 SER 46 -9.544 -7.479 6.560 761 HG SER 46 HG SER 46 -11.079 -8.342 7.794 762 H ARG 47 HN ARG 47 -10.892 -6.467 4.631 763 HA ARG 47 HA ARG 47 -13.549 -6.382 5.559 764 1HB ARG 47 HB2 ARG 47 -12.165 -4.597 3.548 765 2HB ARG 47 HB1 ARG 47 -13.681 -4.230 4.355 766 1HG ARG 47 HG2 ARG 47 -12.566 -4.171 6.500 767 2HG ARG 47 HG1 ARG 47 -11.041 -4.639 5.744 768 1HD ARG 47 HD1 ARG 47 -11.073 -2.576 4.422 769 2HD ARG 47 HD2 ARG 47 -12.586 -2.108 5.194 770 HE ARG 47 HE ARG 47 -10.000 -1.712 6.226 771 1HH1 ARG 47 HH11 ARG 47 -13.188 -2.689 7.242 772 2HH1 ARG 47 HH12 ARG 47 -12.970 -2.156 8.875 773 1HH2 ARG 47 HH21 ARG 47 -9.706 -1.009 8.373 774 2HH2 ARG 47 HH22 ARG 47 -10.992 -1.201 9.518 775 H ARG 48 HN ARG 48 -12.135 -7.054 2.415 776 HA ARG 48 HA ARG 48 -14.388 -6.924 0.797 777 1HB ARG 48 HB1 ARG 48 -12.094 -8.885 0.598 778 2HB ARG 48 HB2 ARG 48 -13.210 -8.478 -0.695 779 1HG ARG 48 HG1 ARG 48 -11.305 -6.557 0.626 780 2HG ARG 48 HG2 ARG 48 -11.053 -7.348 -0.933 781 1HD ARG 48 HD1 ARG 48 -13.306 -5.464 -0.246 782 2HD ARG 48 HD2 ARG 48 -11.886 -5.069 -1.214 783 HE ARG 48 HE ARG 48 -13.131 -7.273 -2.381 784 1HH1 ARG 48 HH11 ARG 48 -13.780 -3.904 -1.777 785 2HH1 ARG 48 HH12 ARG 48 -14.800 -3.720 -3.166 786 1HH2 ARG 48 HH21 ARG 48 -14.469 -7.041 -4.209 787 2HH2 ARG 48 HH22 ARG 48 -15.192 -5.506 -4.548 788 H ALA 49 HN ALA 49 -13.114 -9.677 2.641 789 HA ALA 49 HA ALA 49 -15.090 -11.531 1.891 790 1HB ALA 49 HB1 ALA 49 -14.371 -12.466 4.297 791 2HB ALA 49 HB2 ALA 49 -13.035 -11.352 4.008 792 3HB ALA 49 HB3 ALA 49 -13.371 -12.644 2.856 793 H ASP 50 HN ASP 50 -14.883 -9.271 4.603 794 HA ASP 50 HA ASP 50 -16.411 -8.538 6.119 795 1HB ASP 50 HB2 ASP 50 -17.494 -7.785 3.996 796 2HB ASP 50 HB1 ASP 50 -18.426 -9.278 3.985 797 H ALA 51 HN ALA 51 -15.563 -11.083 6.596 798 HA ALA 51 HA ALA 51 -17.600 -12.105 8.271 799 1HB ALA 51 HB1 ALA 51 -17.696 -13.033 5.592 800 2HB ALA 51 HB2 ALA 51 -18.672 -13.547 6.968 801 3HB ALA 51 HB3 ALA 51 -17.153 -14.366 6.609 802 HA PRO 52 HA PRO 52 -13.059 -13.282 8.964 803 1HB PRO 52 HB1 PRO 52 -12.819 -12.005 11.367 804 2HB PRO 52 HB2 PRO 52 -12.426 -11.254 9.820 805 1HG PRO 52 HG1 PRO 52 -14.917 -11.016 11.464 806 2HG PRO 52 HG2 PRO 52 -14.012 -9.748 10.618 807 1HD PRO 52 HD2 PRO 52 -16.263 -10.812 9.596 808 2HD PRO 52 HD1 PRO 52 -14.914 -10.303 8.561 809 H SER 53 HN SER 53 -12.943 -13.236 12.053 810 HA SER 53 HA SER 53 -14.880 -15.099 12.967 811 1HB SER 53 HB2 SER 53 -13.619 -16.635 11.524 812 2HB SER 53 HB1 SER 53 -12.126 -16.204 12.358 813 HG SER 53 HG SER 53 -14.197 -17.058 13.978 814 H THR 54 HN THR 54 -14.203 -12.787 14.077 815 HA THR 54 HA THR 54 -13.298 -13.530 16.669 816 HB THR 54 HB THR 54 -11.089 -13.364 15.696 817 HG1 THR 54 HG1 THR 54 -10.266 -11.904 17.168 818 1HG2 THR 54 HG21 THR 54 -10.262 -11.330 14.661 819 2HG2 THR 54 HG22 THR 54 -11.821 -10.543 14.903 820 3HG2 THR 54 HG23 THR 54 -11.684 -11.905 13.790 821 H SER 55 HN SER 55 -13.916 -10.909 14.382 822 HA SER 55 HA SER 55 -14.390 -8.855 16.221 823 1HB SER 55 HB1 SER 55 -15.639 -9.282 13.495 824 2HB SER 55 HB2 SER 55 -15.655 -7.766 14.398 825 HG SER 55 HG SER 55 -13.653 -8.905 12.914 826 H ALA 56 HN ALA 56 -16.590 -11.255 14.827 827 HA ALA 56 HA ALA 56 -18.975 -10.291 15.932 828 1HB ALA 56 HB1 ALA 56 -18.705 -12.062 14.148 829 2HB ALA 56 HB2 ALA 56 -19.933 -12.380 15.373 830 3HB ALA 56 HB3 ALA 56 -18.374 -13.200 15.454 831 H ILE 57 HN ILE 57 -19.981 -10.562 17.862 832 HA ILE 57 HA ILE 57 -18.482 -11.010 20.164 833 HB ILE 57 HB ILE 57 -20.723 -11.222 21.328 834 1HG1 ILE 57 HG12 ILE 57 -22.652 -10.394 19.846 835 2HG1 ILE 57 HG11 ILE 57 -21.659 -10.885 18.481 836 1HG2 ILE 57 HG21 ILE 57 -21.115 -8.760 19.907 837 2HG2 ILE 57 HG22 ILE 57 -19.398 -9.030 20.206 838 3HG2 ILE 57 HG23 ILE 57 -20.537 -9.025 21.552 839 1HD1 ILE 57 HD11 ILE 57 -22.599 -12.876 18.665 840 2HD1 ILE 57 HD12 ILE 57 -23.310 -12.472 20.228 841 3HD1 ILE 57 HD13 ILE 57 -21.662 -13.095 20.142 842 H SER 58 HN SER 58 -18.363 -12.692 21.643 843 HA SER 58 HA SER 58 -18.305 -15.297 20.524 844 1HB SER 58 HB2 SER 58 -16.780 -14.475 22.331 845 2HB SER 58 HB1 SER 58 -18.141 -14.530 23.448 846 HG SER 58 HG SER 58 -16.532 -16.520 22.650 847 H GLU 59 HN GLU 59 -19.329 -16.353 23.283 848 HA GLU 59 HA GLU 59 -22.195 -16.023 22.994 849 1HB GLU 59 HB2 GLU 59 -20.860 -18.711 22.611 850 2HB GLU 59 HB1 GLU 59 -22.587 -18.476 22.834 851 1HG GLU 59 HG1 GLU 59 -22.678 -17.172 20.771 852 2HG GLU 59 HG2 GLU 59 -20.946 -17.411 20.548 853 H ASP 60 HN ASP 60 -20.589 -15.218 25.070 854 HA ASP 60 HA ASP 60 -20.258 -17.069 27.154 855 1HB ASP 60 HB2 ASP 60 -19.160 -14.879 27.152 856 2HB ASP 60 HB1 ASP 60 -20.723 -14.083 27.311 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 12.348 20.051 -13.114 2 2H GLY 1 HT2 GLY 1 10.812 19.740 -13.750 3 3H GLY 1 HT3 GLY 1 11.551 18.606 -12.735 4 1HA GLY 1 HA2 GLY 1 11.582 20.666 -11.096 5 2HA GLY 1 HA1 GLY 1 10.184 21.098 -12.070 6 H SER 2 HN SER 2 11.346 17.904 -11.044 7 HA SER 2 HA SER 2 8.737 17.039 -10.336 8 1HB SER 2 HB1 SER 2 9.956 15.041 -9.399 9 2HB SER 2 HB2 SER 2 10.325 15.402 -11.084 10 HG SER 2 HG SER 2 12.322 15.662 -10.530 11 H ALA 3 HN ALA 3 9.919 15.611 -7.872 12 HA ALA 3 HA ALA 3 10.388 17.561 -5.884 13 1HB ALA 3 HB1 ALA 3 8.177 17.258 -4.680 14 2HB ALA 3 HB2 ALA 3 7.549 16.624 -6.200 15 3HB ALA 3 HB3 ALA 3 8.153 18.279 -6.118 16 H ALA 4 HN ALA 4 11.201 16.605 -4.109 17 HA ALA 4 HA ALA 4 11.440 13.735 -4.081 18 1HB ALA 4 HB1 ALA 4 12.450 15.776 -2.105 19 2HB ALA 4 HB2 ALA 4 13.337 15.174 -3.504 20 3HB ALA 4 HB3 ALA 4 12.925 14.079 -2.184 21 H SER 5 HN SER 5 8.767 14.369 -3.793 22 HA SER 5 HA SER 5 7.941 14.539 -1.096 23 1HB SER 5 HB1 SER 5 5.706 13.917 -1.927 24 2HB SER 5 HB2 SER 5 6.440 15.196 -2.893 25 HG SER 5 HG SER 5 5.519 12.857 -3.711 26 HA PRO 6 HA PRO 6 7.288 9.657 -1.680 27 1HB PRO 6 HB2 PRO 6 9.708 8.715 -2.770 28 2HB PRO 6 HB1 PRO 6 8.106 8.632 -3.498 29 1HG PRO 6 HG2 PRO 6 10.321 10.523 -4.012 30 2HG PRO 6 HG1 PRO 6 9.006 10.017 -5.082 31 1HD PRO 6 HD2 PRO 6 9.112 12.467 -3.922 32 2HD PRO 6 HD1 PRO 6 7.587 11.650 -4.315 33 H ALA 7 HN ALA 7 8.309 8.049 -0.372 34 HA ALA 7 HA ALA 7 9.400 7.348 1.480 35 1HB ALA 7 HB1 ALA 7 11.784 8.759 1.577 36 2HB ALA 7 HB2 ALA 7 11.400 8.670 -0.142 37 3HB ALA 7 HB3 ALA 7 11.516 7.192 0.813 38 H VAL 8 HN VAL 8 7.571 9.333 1.779 39 HA VAL 8 HA VAL 8 8.539 11.342 3.563 40 HB VAL 8 HB VAL 8 6.608 11.820 2.132 41 1HG1 VAL 8 HG11 VAL 8 5.182 10.142 1.791 42 2HG1 VAL 8 HG12 VAL 8 4.450 10.610 3.326 43 3HG1 VAL 8 HG13 VAL 8 5.656 9.324 3.280 44 1HG2 VAL 8 HG21 VAL 8 5.007 12.228 4.324 45 2HG2 VAL 8 HG22 VAL 8 6.286 13.306 3.766 46 3HG2 VAL 8 HG23 VAL 8 6.620 12.120 5.029 47 H ASP 9 HN ASP 9 9.517 9.202 4.480 48 HA ASP 9 HA ASP 9 9.819 8.006 6.366 49 1HB ASP 9 HB1 ASP 9 7.209 9.259 7.225 50 2HB ASP 9 HB2 ASP 9 8.201 8.232 8.255 51 H ILE 10 HN ILE 10 7.925 7.731 3.997 52 HA ILE 10 HA ILE 10 6.662 6.295 2.920 53 HB ILE 10 HB ILE 10 8.870 5.117 3.531 54 1HG1 ILE 10 HG11 ILE 10 8.168 3.300 2.106 55 2HG1 ILE 10 HG12 ILE 10 6.479 3.646 2.448 56 1HG2 ILE 10 HG21 ILE 10 8.260 2.816 4.466 57 2HG2 ILE 10 HG22 ILE 10 6.835 3.622 5.123 58 3HG2 ILE 10 HG23 ILE 10 8.448 4.157 5.594 59 1HD1 ILE 10 HD11 ILE 10 7.286 4.496 0.237 60 2HD1 ILE 10 HD12 ILE 10 8.350 5.600 1.119 61 3HD1 ILE 10 HD13 ILE 10 6.595 5.736 1.297 62 H GLY 11 HN GLY 11 6.551 5.212 6.334 63 1HA GLY 11 HA2 GLY 11 4.094 3.891 6.104 64 2HA GLY 11 HA1 GLY 11 4.758 4.521 7.589 65 H ASP 12 HN ASP 12 4.831 7.128 5.869 66 HA ASP 12 HA ASP 12 2.455 8.167 6.987 67 1HB ASP 12 HB1 ASP 12 4.601 9.216 5.139 68 2HB ASP 12 HB2 ASP 12 3.185 10.176 5.561 69 H ARG 13 HN ARG 13 3.539 7.128 3.857 70 HA ARG 13 HA ARG 13 1.285 7.996 2.356 71 1HB ARG 13 HB2 ARG 13 3.469 5.951 1.936 72 2HB ARG 13 HB1 ARG 13 2.310 6.400 0.704 73 1HG ARG 13 HG2 ARG 13 3.092 8.740 0.889 74 2HG ARG 13 HG1 ARG 13 4.300 8.187 2.053 75 1HD ARG 13 HD2 ARG 13 5.450 6.946 0.442 76 2HD ARG 13 HD1 ARG 13 4.112 7.023 -0.697 77 HE ARG 13 HE ARG 13 6.219 8.856 -0.510 78 1HH1 ARG 13 HH11 ARG 13 2.742 8.838 -0.820 79 2HH1 ARG 13 HH12 ARG 13 2.679 10.373 -1.619 80 1HH2 ARG 13 HH21 ARG 13 6.134 10.882 -1.559 81 2HH2 ARG 13 HH22 ARG 13 4.602 11.531 -2.040 82 H LEU 14 HN LEU 14 2.448 5.049 3.658 83 HA LEU 14 HA LEU 14 0.499 3.201 3.002 84 1HB LEU 14 HB2 LEU 14 2.487 3.645 5.153 85 2HB LEU 14 HB1 LEU 14 1.522 2.201 5.177 86 HG LEU 14 HG LEU 14 2.888 2.846 2.633 87 1HD1 LEU 14 HD11 LEU 14 4.276 2.392 5.186 88 2HD1 LEU 14 HD12 LEU 14 4.770 3.310 3.758 89 3HD1 LEU 14 HD13 LEU 14 4.888 1.545 3.765 90 1HD2 LEU 14 HD21 LEU 14 2.293 0.384 4.224 91 2HD2 LEU 14 HD22 LEU 14 3.347 0.364 2.809 92 3HD2 LEU 14 HD23 LEU 14 1.662 0.860 2.650 93 H ASP 15 HN ASP 15 0.913 5.071 5.969 94 HA ASP 15 HA ASP 15 -1.274 4.137 7.399 95 1HB ASP 15 HB1 ASP 15 0.666 5.703 8.115 96 2HB ASP 15 HB2 ASP 15 -0.348 7.002 7.502 97 H GLU 16 HN GLU 16 -1.006 7.006 5.350 98 HA GLU 16 HA GLU 16 -3.697 7.770 5.522 99 1HB GLU 16 HB2 GLU 16 -1.692 8.365 3.354 100 2HB GLU 16 HB1 GLU 16 -3.205 9.226 3.609 101 1HG GLU 16 HG2 GLU 16 -2.392 9.891 5.845 102 2HG GLU 16 HG1 GLU 16 -0.855 9.121 5.480 103 H LEU 17 HN LEU 17 -2.041 5.460 3.653 104 HA LEU 17 HA LEU 17 -3.821 5.166 1.474 105 1HB LEU 17 HB1 LEU 17 -1.372 4.369 1.794 106 2HB LEU 17 HB2 LEU 17 -2.052 3.016 2.660 107 HG LEU 17 HG LEU 17 -1.714 2.096 0.604 108 1HD1 LEU 17 HD11 LEU 17 -3.816 1.899 -0.605 109 2HD1 LEU 17 HD12 LEU 17 -4.464 3.264 0.305 110 3HD1 LEU 17 HD13 LEU 17 -4.042 1.769 1.139 111 1HD2 LEU 17 HD21 LEU 17 -1.202 4.553 -0.259 112 2HD2 LEU 17 HD22 LEU 17 -2.746 4.287 -1.072 113 3HD2 LEU 17 HD23 LEU 17 -1.404 3.174 -1.340 114 H GLU 18 HN GLU 18 -3.431 3.460 4.521 115 HA GLU 18 HA GLU 18 -5.589 1.665 4.138 116 1HB GLU 18 HB2 GLU 18 -3.852 1.102 5.714 117 2HB GLU 18 HB1 GLU 18 -4.099 2.611 6.586 118 1HG GLU 18 HG2 GLU 18 -5.021 0.725 7.789 119 2HG GLU 18 HG1 GLU 18 -6.279 1.859 7.314 120 H LYS 19 HN LYS 19 -5.185 4.737 5.722 121 HA LYS 19 HA LYS 19 -7.713 4.860 6.840 122 1HB LYS 19 HB2 LYS 19 -5.946 7.099 5.894 123 2HB LYS 19 HB1 LYS 19 -7.282 7.258 7.036 124 1HG LYS 19 HG1 LYS 19 -5.092 5.311 7.517 125 2HG LYS 19 HG2 LYS 19 -4.860 7.020 7.913 126 1HD LYS 19 HD2 LYS 19 -7.023 5.190 8.963 127 2HD LYS 19 HD1 LYS 19 -5.624 5.766 9.867 128 1HE LYS 19 HE1 LYS 19 -6.428 8.060 9.670 129 2HE LYS 19 HE2 LYS 19 -7.812 7.501 8.731 130 1HZ LYS 19 HZ1 LYS 19 -8.804 7.483 10.729 131 2HZ LYS 19 HZ2 LYS 19 -7.352 7.392 11.589 132 3HZ LYS 19 HZ3 LYS 19 -8.029 5.992 10.922 133 H ALA 20 HN ALA 20 -6.422 5.679 3.714 134 HA ALA 20 HA ALA 20 -8.694 6.948 2.626 135 1HB ALA 20 HB1 ALA 20 -6.193 6.592 1.747 136 2HB ALA 20 HB2 ALA 20 -7.532 6.899 0.634 137 3HB ALA 20 HB3 ALA 20 -6.972 5.236 0.920 138 H LEU 21 HN LEU 21 -7.449 3.745 2.487 139 HA LEU 21 HA LEU 21 -9.338 2.482 0.967 140 1HB LEU 21 HB1 LEU 21 -7.067 1.910 2.403 141 2HB LEU 21 HB2 LEU 21 -8.295 0.898 3.072 142 HG LEU 21 HG LEU 21 -7.996 -0.503 1.455 143 1HD1 LEU 21 HD21 LEU 21 -9.801 0.866 0.470 144 2HD1 LEU 21 HD22 LEU 21 -8.823 -0.037 -0.699 145 3HD1 LEU 21 HD23 LEU 21 -8.560 1.694 -0.470 146 1HD2 LEU 21 HD11 LEU 21 -5.771 0.741 1.344 147 2HD2 LEU 21 HD12 LEU 21 -6.422 1.415 -0.157 148 3HD2 LEU 21 HD13 LEU 21 -6.227 -0.335 0.019 149 H GLU 22 HN GLU 22 -9.187 2.965 4.424 150 HA GLU 22 HA GLU 22 -11.301 1.507 5.270 151 1HB GLU 22 HB1 GLU 22 -10.417 4.242 6.167 152 2HB GLU 22 HB2 GLU 22 -11.645 3.312 7.020 153 1HG GLU 22 HG2 GLU 22 -9.999 1.528 7.406 154 2HG GLU 22 HG1 GLU 22 -8.776 2.509 6.600 155 H ALA 23 HN ALA 23 -11.239 4.455 3.546 156 HA ALA 23 HA ALA 23 -14.052 4.951 3.729 157 1HB ALA 23 HB1 ALA 23 -13.081 6.954 3.300 158 2HB ALA 23 HB2 ALA 23 -13.268 6.448 1.621 159 3HB ALA 23 HB3 ALA 23 -11.721 6.222 2.443 160 H LEU 24 HN LEU 24 -11.798 3.736 1.292 161 HA LEU 24 HA LEU 24 -13.851 3.078 -0.594 162 1HB LEU 24 HB1 LEU 24 -10.940 2.342 -0.435 163 2HB LEU 24 HB2 LEU 24 -11.983 1.845 -1.749 164 HG LEU 24 HG LEU 24 -10.598 3.754 -2.359 165 1HD1 LEU 24 HD21 LEU 24 -12.306 4.089 -3.714 166 2HD1 LEU 24 HD22 LEU 24 -12.814 5.350 -2.591 167 3HD1 LEU 24 HD23 LEU 24 -13.490 3.724 -2.455 168 1HD2 LEU 24 HD11 LEU 24 -10.409 4.706 -0.117 169 2HD2 LEU 24 HD12 LEU 24 -12.086 5.240 -0.224 170 3HD2 LEU 24 HD13 LEU 24 -10.877 5.901 -1.328 171 H SER 25 HN SER 25 -13.535 1.846 2.239 172 HA SER 25 HA SER 25 -12.963 -0.810 2.230 173 1HB SER 25 HB1 SER 25 -14.581 -1.047 4.084 174 2HB SER 25 HB2 SER 25 -13.552 0.368 4.252 175 HG SER 25 HG SER 25 -15.430 1.306 4.534 176 H ALA 26 HN ALA 26 -13.522 -1.550 0.122 177 HA ALA 26 HA ALA 26 -14.808 -2.595 -1.447 178 1HB ALA 26 HB1 ALA 26 -14.690 -4.126 0.589 179 2HB ALA 26 HB2 ALA 26 -15.922 -4.471 -0.626 180 3HB ALA 26 HB3 ALA 26 -16.362 -3.648 0.872 181 H GLU 27 HN GLU 27 -15.765 0.001 -0.566 182 HA GLU 27 HA GLU 27 -18.560 0.057 -0.324 183 1HB GLU 27 HB2 GLU 27 -16.493 2.080 -1.033 184 2HB GLU 27 HB1 GLU 27 -18.191 2.480 -1.203 185 1HG GLU 27 HG2 GLU 27 -18.464 1.742 1.202 186 2HG GLU 27 HG1 GLU 27 -16.706 1.702 1.287 187 H ASP 28 HN ASP 28 -16.520 -0.109 -3.150 188 HA ASP 28 HA ASP 28 -18.885 -0.553 -4.746 189 1HB ASP 28 HB2 ASP 28 -18.349 1.952 -4.587 190 2HB ASP 28 HB1 ASP 28 -16.994 1.579 -5.642 191 H GLY 29 HN GLY 29 -17.114 -2.372 -4.173 192 1HA GLY 29 HA1 GLY 29 -15.728 -3.949 -5.059 193 2HA GLY 29 HA2 GLY 29 -16.360 -3.434 -6.612 194 H HIS 30 HN HIS 30 -14.289 -1.855 -4.191 195 HA HIS 30 HA HIS 30 -12.617 -0.827 -6.260 196 1HB HIS 30 HB1 HIS 30 -12.417 -0.668 -3.253 197 2HB HIS 30 HB2 HIS 30 -11.238 0.058 -4.340 198 HD1 HIS 30 HD1 HIS 30 -12.565 1.620 -6.298 199 HD2 HIS 30 HD2 HIS 30 -14.296 1.172 -2.551 200 HE1 HIS 30 HE1 HIS 30 -14.190 3.523 -6.076 201 HE2 HIS 30 HE2 HIS 30 -15.179 3.266 -3.773 202 H ASP 31 HN ASP 31 -12.638 -3.532 -6.488 203 HA ASP 31 HA ASP 31 -10.599 -4.951 -5.215 204 1HB ASP 31 HB2 ASP 31 -12.289 -6.055 -6.590 205 2HB ASP 31 HB1 ASP 31 -11.673 -5.250 -8.031 206 H ASP 32 HN ASP 32 -10.463 -2.440 -7.523 207 HA ASP 32 HA ASP 32 -7.960 -3.008 -8.730 208 1HB ASP 32 HB1 ASP 32 -9.534 -1.433 -9.750 209 2HB ASP 32 HB2 ASP 32 -9.390 -0.371 -8.352 210 H VAL 33 HN VAL 33 -8.955 -1.519 -5.800 211 HA VAL 33 HA VAL 33 -6.599 -0.202 -5.151 212 HB VAL 33 HB VAL 33 -8.609 -1.470 -3.320 213 1HG1 VAL 33 HG21 VAL 33 -7.612 -0.439 -1.572 214 2HG1 VAL 33 HG22 VAL 33 -7.124 0.958 -2.530 215 3HG1 VAL 33 HG23 VAL 33 -6.177 -0.539 -2.600 216 1HG2 VAL 33 HG11 VAL 33 -8.572 1.426 -3.978 217 2HG2 VAL 33 HG12 VAL 33 -9.925 0.381 -3.544 218 3HG2 VAL 33 HG13 VAL 33 -9.230 0.298 -5.167 219 H GLY 34 HN GLY 34 -7.742 -3.460 -4.271 220 1HA GLY 34 HA2 GLY 34 -5.406 -4.190 -2.838 221 2HA GLY 34 HA1 GLY 34 -6.576 -5.306 -3.515 222 H GLN 35 HN GLN 35 -6.229 -4.067 -6.176 223 HA GLN 35 HA GLN 35 -4.203 -5.766 -7.160 224 1HB GLN 35 HB2 GLN 35 -6.100 -5.322 -8.531 225 2HB GLN 35 HB1 GLN 35 -5.906 -3.588 -8.347 226 1HG GLN 35 HG2 GLN 35 -5.258 -4.226 -10.535 227 2HG GLN 35 HG1 GLN 35 -3.835 -3.708 -9.639 228 1HE2 GLN 35 HE22 GLN 35 -2.117 -4.916 -9.968 229 2HE2 GLN 35 HE21 GLN 35 -2.108 -6.606 -10.326 230 H ARG 36 HN ARG 36 -4.485 -2.373 -6.477 231 HA ARG 36 HA ARG 36 -1.954 -1.604 -7.464 232 1HB ARG 36 HB2 ARG 36 -3.775 -0.275 -5.453 233 2HB ARG 36 HB1 ARG 36 -2.421 0.490 -6.272 234 1HG ARG 36 HG1 ARG 36 -4.528 -0.703 -7.967 235 2HG ARG 36 HG2 ARG 36 -4.914 0.781 -7.090 236 1HD ARG 36 HD2 ARG 36 -2.974 1.855 -8.019 237 2HD ARG 36 HD1 ARG 36 -2.531 0.382 -8.870 238 HE ARG 36 HE ARG 36 -5.147 1.189 -9.590 239 1HH1 ARG 36 HH11 ARG 36 -1.798 2.004 -10.081 240 2HH1 ARG 36 HH12 ARG 36 -2.068 2.737 -11.627 241 1HH2 ARG 36 HH21 ARG 36 -5.515 2.153 -11.625 242 2HH2 ARG 36 HH22 ARG 36 -4.181 2.822 -12.504 243 H LEU 37 HN LEU 37 -3.396 -2.263 -4.348 244 HA LEU 37 HA LEU 37 -1.364 -1.835 -2.607 245 1HB LEU 37 HB2 LEU 37 -3.830 -3.416 -2.783 246 2HB LEU 37 HB1 LEU 37 -2.735 -3.829 -1.536 247 HG LEU 37 HG LEU 37 -3.742 -1.147 -1.959 248 1HD1 LEU 37 HD21 LEU 37 -5.052 -3.350 -0.784 249 2HD1 LEU 37 HD22 LEU 37 -5.608 -1.676 -0.880 250 3HD1 LEU 37 HD23 LEU 37 -4.640 -2.211 0.496 251 1HD2 LEU 37 HD11 LEU 37 -1.537 -1.316 -0.893 252 2HD2 LEU 37 HD12 LEU 37 -2.262 -2.318 0.365 253 3HD2 LEU 37 HD13 LEU 37 -2.753 -0.632 0.186 254 H GLU 38 HN GLU 38 -2.249 -4.793 -4.319 255 HA GLU 38 HA GLU 38 -0.247 -6.391 -3.183 256 1HB GLU 38 HB2 GLU 38 -2.356 -7.089 -4.458 257 2HB GLU 38 HB1 GLU 38 -1.424 -6.812 -5.916 258 1HG GLU 38 HG2 GLU 38 0.288 -8.420 -4.956 259 2HG GLU 38 HG1 GLU 38 -0.937 -8.846 -3.763 260 H SER 39 HN SER 39 -0.529 -4.742 -6.210 261 HA SER 39 HA SER 39 1.884 -5.336 -7.421 262 1HB SER 39 HB2 SER 39 0.038 -3.920 -8.391 263 2HB SER 39 HB1 SER 39 0.612 -2.586 -7.398 264 HG SER 39 HG SER 39 1.777 -2.239 -9.137 265 H LEU 40 HN LEU 40 1.166 -2.863 -5.009 266 HA LEU 40 HA LEU 40 3.535 -1.550 -4.808 267 1HB LEU 40 HB1 LEU 40 1.648 -2.420 -2.632 268 2HB LEU 40 HB2 LEU 40 2.924 -1.258 -2.418 269 HG LEU 40 HG LEU 40 0.552 -0.915 -4.233 270 1HD1 LEU 40 HD21 LEU 40 -0.531 -0.205 -2.437 271 2HD1 LEU 40 HD22 LEU 40 0.704 1.030 -2.186 272 3HD1 LEU 40 HD23 LEU 40 0.875 -0.558 -1.434 273 1HD2 LEU 40 HD11 LEU 40 1.994 1.477 -3.569 274 2HD2 LEU 40 HD12 LEU 40 1.584 0.817 -5.153 275 3HD2 LEU 40 HD13 LEU 40 3.062 0.303 -4.338 276 H LEU 41 HN LEU 41 2.502 -4.376 -2.932 277 HA LEU 41 HA LEU 41 5.044 -4.764 -1.749 278 1HB LEU 41 HB2 LEU 41 2.482 -6.089 -1.776 279 2HB LEU 41 HB1 LEU 41 3.837 -7.099 -1.400 280 HG LEU 41 HG LEU 41 3.008 -4.596 0.062 281 1HD1 LEU 41 HD21 LEU 41 2.450 -6.058 1.868 282 2HD1 LEU 41 HD22 LEU 41 3.117 -7.449 1.011 283 3HD1 LEU 41 HD23 LEU 41 1.648 -6.668 0.421 284 1HD2 LEU 41 HD11 LEU 41 5.566 -5.489 -0.203 285 2HD2 LEU 41 HD12 LEU 41 5.033 -6.332 1.257 286 3HD2 LEU 41 HD13 LEU 41 4.947 -4.572 1.174 287 H ARG 42 HN ARG 42 3.288 -6.712 -4.156 288 HA ARG 42 HA ARG 42 5.155 -8.649 -4.531 289 1HB ARG 42 HB2 ARG 42 2.996 -8.660 -5.707 290 2HB ARG 42 HB1 ARG 42 3.500 -7.290 -6.684 291 1HG ARG 42 HG2 ARG 42 3.676 -9.261 -8.009 292 2HG ARG 42 HG1 ARG 42 5.309 -8.708 -7.631 293 1HD ARG 42 HD2 ARG 42 5.132 -11.125 -7.397 294 2HD ARG 42 HD1 ARG 42 5.457 -10.363 -5.839 295 HE ARG 42 HE ARG 42 2.690 -10.643 -6.120 296 1HH1 ARG 42 HH11 ARG 42 5.527 -12.630 -5.755 297 2HH1 ARG 42 HH12 ARG 42 4.683 -13.912 -4.955 298 1HH2 ARG 42 HH21 ARG 42 1.569 -12.324 -5.068 299 2HH2 ARG 42 HH22 ARG 42 2.432 -13.739 -4.564 300 H ARG 43 HN ARG 43 5.291 -5.341 -5.407 301 HA ARG 43 HA ARG 43 7.675 -5.686 -6.991 302 1HB ARG 43 HB2 ARG 43 6.194 -3.165 -6.244 303 2HB ARG 43 HB1 ARG 43 7.585 -3.237 -7.312 304 1HG ARG 43 HG2 ARG 43 4.855 -4.402 -7.795 305 2HG ARG 43 HG1 ARG 43 5.613 -3.056 -8.644 306 1HD ARG 43 HD2 ARG 43 7.370 -4.628 -9.438 307 2HD ARG 43 HD1 ARG 43 6.459 -5.944 -8.694 308 HE ARG 43 HE ARG 43 4.735 -4.567 -10.396 309 1HH1 ARG 43 HH11 ARG 43 7.606 -6.533 -10.592 310 2HH1 ARG 43 HH12 ARG 43 7.230 -7.153 -12.165 311 1HH2 ARG 43 HH21 ARG 43 4.232 -5.377 -12.467 312 2HH2 ARG 43 HH22 ARG 43 5.312 -6.495 -13.231 313 H TRP 44 HN TRP 44 6.579 -4.543 -3.887 314 HA TRP 44 HA TRP 44 9.011 -3.422 -2.993 315 1HB TRP 44 HB2 TRP 44 6.844 -2.842 -2.012 316 2HB TRP 44 HB1 TRP 44 6.651 -4.508 -1.474 317 HD1 TRP 44 HD1 TRP 44 7.124 -4.801 0.906 318 HE1 TRP 44 HE1 TRP 44 8.675 -3.740 2.689 319 HE3 TRP 44 HE3 TRP 44 9.571 -1.420 -2.055 320 HZ2 TRP 44 HZ2 TRP 44 10.687 -1.777 2.782 321 HZ3 TRP 44 HZ3 TRP 44 11.284 0.005 -0.997 322 HH2 TRP 44 HH2 TRP 44 11.819 -0.165 1.328 323 H ASN 45 HN ASN 45 7.349 -6.450 -2.104 324 HA ASN 45 HA ASN 45 9.366 -7.555 -0.579 325 1HB ASN 45 HB1 ASN 45 7.127 -8.729 -2.175 326 2HB ASN 45 HB2 ASN 45 8.207 -9.750 -1.247 327 1HD2 ASN 45 HD21 ASN 45 5.403 -8.039 -1.245 328 2HD2 ASN 45 HD22 ASN 45 5.146 -7.935 0.450 329 H SER 46 HN SER 46 8.913 -7.609 -4.009 330 HA SER 46 HA SER 46 10.819 -9.594 -4.633 331 1HB SER 46 HB2 SER 46 9.086 -8.840 -6.214 332 2HB SER 46 HB1 SER 46 9.889 -7.275 -6.330 333 HG SER 46 HG SER 46 10.423 -9.542 -7.654 334 H ARG 47 HN ARG 47 11.041 -6.053 -4.517 335 HA ARG 47 HA ARG 47 13.691 -5.817 -5.365 336 1HB ARG 47 HB2 ARG 47 12.082 -4.076 -3.501 337 2HB ARG 47 HB1 ARG 47 13.640 -3.624 -4.178 338 1HG ARG 47 HG2 ARG 47 12.777 -3.569 -6.377 339 2HG ARG 47 HG1 ARG 47 11.278 -4.359 -5.880 340 1HD ARG 47 HD1 ARG 47 10.685 -2.431 -4.544 341 2HD ARG 47 HD2 ARG 47 12.196 -1.644 -4.975 342 HE ARG 47 HE ARG 47 9.826 -1.597 -6.474 343 1HH1 ARG 47 HH11 ARG 47 13.261 -2.004 -6.918 344 2HH1 ARG 47 HH12 ARG 47 13.252 -1.392 -8.538 345 1HH2 ARG 47 HH21 ARG 47 9.809 -0.790 -8.603 346 2HH2 ARG 47 HH22 ARG 47 11.292 -0.702 -9.496 347 H ARG 48 HN ARG 48 12.312 -6.534 -2.237 348 HA ARG 48 HA ARG 48 14.515 -6.160 -0.585 349 1HB ARG 48 HB2 ARG 48 12.335 -8.246 -0.501 350 2HB ARG 48 HB1 ARG 48 13.488 -7.998 0.793 351 1HG ARG 48 HG1 ARG 48 12.668 -5.729 1.113 352 2HG ARG 48 HG2 ARG 48 11.542 -5.941 -0.228 353 1HD ARG 48 HD1 ARG 48 10.416 -6.242 1.910 354 2HD ARG 48 HD2 ARG 48 10.430 -7.742 0.982 355 HE ARG 48 HE ARG 48 12.652 -7.730 2.682 356 1HH1 ARG 48 HH11 ARG 48 9.176 -7.891 2.859 357 2HH1 ARG 48 HH12 ARG 48 9.166 -8.812 4.326 358 1HH2 ARG 48 HH21 ARG 48 12.648 -8.942 4.611 359 2HH2 ARG 48 HH22 ARG 48 11.140 -9.408 5.323 360 H ALA 49 HN ALA 49 13.478 -9.055 -2.310 361 HA ALA 49 HA ALA 49 15.601 -10.724 -1.670 362 1HB ALA 49 HB1 ALA 49 14.962 -11.673 -4.081 363 2HB ALA 49 HB2 ALA 49 13.553 -10.647 -3.798 364 3HB ALA 49 HB3 ALA 49 13.954 -11.933 -2.658 365 H ASP 50 HN ASP 50 15.231 -8.418 -4.259 366 HA ASP 50 HA ASP 50 17.803 -9.015 -5.420 367 1HB ASP 50 HB2 ASP 50 15.799 -6.826 -6.004 368 2HB ASP 50 HB1 ASP 50 17.263 -7.116 -6.934 369 H ALA 51 HN ALA 51 18.249 -8.417 -2.817 370 HA ALA 51 HA ALA 51 18.671 -5.767 -2.109 371 1HB ALA 51 HB1 ALA 51 19.034 -6.979 -0.262 372 2HB ALA 51 HB2 ALA 51 20.704 -7.047 -0.821 373 3HB ALA 51 HB3 ALA 51 19.602 -8.378 -1.173 374 HA PRO 52 HA PRO 52 21.870 -4.410 -4.870 375 1HB PRO 52 HB2 PRO 52 22.513 -2.510 -2.689 376 2HB PRO 52 HB1 PRO 52 22.084 -2.189 -4.371 377 1HG PRO 52 HG2 PRO 52 20.350 -1.716 -2.399 378 2HG PRO 52 HG1 PRO 52 19.809 -2.360 -3.961 379 1HD PRO 52 HD2 PRO 52 20.225 -3.787 -1.361 380 2HD PRO 52 HD1 PRO 52 18.930 -3.986 -2.561 381 H SER 53 HN SER 53 22.566 -4.881 -1.431 382 HA SER 53 HA SER 53 25.400 -5.054 -1.813 383 1HB SER 53 HB2 SER 53 25.476 -5.681 0.554 384 2HB SER 53 HB1 SER 53 24.425 -4.286 0.317 385 HG SER 53 HG SER 53 23.833 -6.635 1.411 386 H THR 54 HN THR 54 24.443 -6.783 -3.625 387 HA THR 54 HA THR 54 24.006 -9.425 -2.837 388 HB THR 54 HB THR 54 24.741 -10.069 -5.103 389 HG1 THR 54 HG1 THR 54 25.130 -7.554 -6.056 390 1HG2 THR 54 HG21 THR 54 23.022 -8.957 -6.301 391 2HG2 THR 54 HG22 THR 54 23.117 -7.536 -5.259 392 3HG2 THR 54 HG23 THR 54 22.472 -9.052 -4.627 393 H SER 55 HN SER 55 25.313 -11.107 -2.314 394 HA SER 55 HA SER 55 28.100 -11.193 -2.805 395 1HB SER 55 HB1 SER 55 28.159 -9.482 -1.038 396 2HB SER 55 HB2 SER 55 27.283 -10.565 0.044 397 HG SER 55 HG SER 55 29.140 -11.375 0.550 398 H ALA 56 HN ALA 56 26.048 -12.955 -3.280 399 HA ALA 56 HA ALA 56 25.936 -14.972 -1.229 400 1HB ALA 56 HB1 ALA 56 24.075 -15.463 -2.331 401 2HB ALA 56 HB2 ALA 56 25.056 -16.060 -3.670 402 3HB ALA 56 HB3 ALA 56 24.525 -14.379 -3.646 403 H ILE 57 HN ILE 57 28.585 -14.484 -1.808 404 HA ILE 57 HA ILE 57 29.743 -16.121 -3.761 405 HB ILE 57 HB ILE 57 31.021 -14.380 -2.652 406 1HG1 ILE 57 HG11 ILE 57 33.088 -15.663 -2.156 407 2HG1 ILE 57 HG12 ILE 57 32.139 -17.144 -2.132 408 1HG2 ILE 57 HG21 ILE 57 31.742 -15.624 -0.209 409 2HG2 ILE 57 HG22 ILE 57 29.983 -15.568 -0.299 410 3HG2 ILE 57 HG23 ILE 57 30.921 -14.083 -0.461 411 1HD1 ILE 57 HD11 ILE 57 33.448 -16.549 -4.253 412 2HD1 ILE 57 HD12 ILE 57 32.158 -15.382 -4.544 413 3HD1 ILE 57 HD13 ILE 57 31.782 -17.100 -4.420 414 H SER 58 HN SER 58 30.275 -18.231 -3.847 415 HA SER 58 HA SER 58 29.039 -20.048 -2.049 416 1HB SER 58 HB1 SER 58 30.215 -21.792 -3.393 417 2HB SER 58 HB2 SER 58 29.315 -20.644 -4.382 418 HG SER 58 HG SER 58 31.113 -20.209 -5.341 419 H GLU 59 HN GLU 59 31.584 -21.838 -2.373 420 HA GLU 59 HA GLU 59 32.446 -21.663 0.282 421 1HB GLU 59 HB2 GLU 59 33.869 -22.888 -2.088 422 2HB GLU 59 HB1 GLU 59 34.261 -23.188 -0.400 423 1HG GLU 59 HG2 GLU 59 31.642 -23.855 -1.726 424 2HG GLU 59 HG1 GLU 59 32.944 -24.996 -1.395 425 H ASP 60 HN ASP 60 34.035 -20.579 1.294 426 HA ASP 60 HA ASP 60 36.305 -19.464 0.043 427 1HB ASP 60 HB2 ASP 60 34.677 -17.882 -0.886 428 2HB ASP 60 HB1 ASP 60 34.107 -17.501 0.733 429 1H GLY 1 HT1 GLY 1 -12.297 19.733 13.873 430 2H GLY 1 HT2 GLY 1 -10.753 19.415 14.487 431 3H GLY 1 HT3 GLY 1 -11.506 18.291 13.472 432 1HA GLY 1 HA2 GLY 1 -11.554 20.377 11.859 433 2HA GLY 1 HA1 GLY 1 -10.132 20.776 12.810 434 H SER 2 HN SER 2 -11.379 17.632 11.728 435 HA SER 2 HA SER 2 -8.801 16.700 10.995 436 1HB SER 2 HB1 SER 2 -11.492 15.574 10.181 437 2HB SER 2 HB2 SER 2 -9.950 14.720 10.184 438 HG SER 2 HG SER 2 -11.690 15.047 12.190 439 H ALA 3 HN ALA 3 -10.086 15.411 8.488 440 HA ALA 3 HA ALA 3 -10.474 17.426 6.561 441 1HB ALA 3 HB1 ALA 3 -8.278 17.066 5.333 442 2HB ALA 3 HB2 ALA 3 -7.665 16.391 6.843 443 3HB ALA 3 HB3 ALA 3 -8.217 18.065 6.784 444 H ALA 4 HN ALA 4 -11.315 16.543 4.751 445 HA ALA 4 HA ALA 4 -11.696 13.697 4.679 446 1HB ALA 4 HB1 ALA 4 -12.529 15.814 2.698 447 2HB ALA 4 HB2 ALA 4 -13.497 15.214 4.045 448 3HB ALA 4 HB3 ALA 4 -13.078 14.137 2.713 449 H SER 5 HN SER 5 -8.972 14.355 4.458 450 HA SER 5 HA SER 5 -8.006 14.405 1.822 451 1HB SER 5 HB2 SER 5 -6.578 14.964 3.716 452 2HB SER 5 HB1 SER 5 -6.709 13.317 4.330 453 HG SER 5 HG SER 5 -5.058 12.897 3.127 454 HA PRO 6 HA PRO 6 -7.675 9.487 2.477 455 1HB PRO 6 HB2 PRO 6 -10.288 9.244 3.879 456 2HB PRO 6 HB1 PRO 6 -8.812 8.294 4.075 457 1HG PRO 6 HG1 PRO 6 -9.521 10.128 5.881 458 2HG PRO 6 HG2 PRO 6 -7.823 9.869 5.447 459 1HD PRO 6 HD2 PRO 6 -9.661 12.081 4.676 460 2HD PRO 6 HD1 PRO 6 -7.912 12.115 4.976 461 H ALA 7 HN ALA 7 -8.789 7.962 1.151 462 HA ALA 7 HA ALA 7 -10.060 7.304 -0.611 463 1HB ALA 7 HB1 ALA 7 -12.308 8.929 -0.657 464 2HB ALA 7 HB2 ALA 7 -11.878 8.823 1.050 465 3HB ALA 7 HB3 ALA 7 -12.161 7.353 0.118 466 H VAL 8 HN VAL 8 -8.054 9.211 -1.000 467 HA VAL 8 HA VAL 8 -9.006 11.283 -2.758 468 HB VAL 8 HB VAL 8 -6.959 11.525 -1.360 469 1HG1 VAL 8 HG11 VAL 8 -5.553 9.815 -1.288 470 2HG1 VAL 8 HG12 VAL 8 -4.959 10.362 -2.856 471 3HG1 VAL 8 HG13 VAL 8 -6.202 9.115 -2.771 472 1HG2 VAL 8 HG21 VAL 8 -5.498 12.140 -3.571 473 2HG2 VAL 8 HG22 VAL 8 -6.777 13.152 -2.902 474 3HG2 VAL 8 HG23 VAL 8 -7.127 12.059 -4.241 475 H ASP 9 HN ASP 9 -10.150 9.196 -3.757 476 HA ASP 9 HA ASP 9 -10.540 8.158 -5.745 477 1HB ASP 9 HB1 ASP 9 -7.791 9.160 -6.530 478 2HB ASP 9 HB2 ASP 9 -8.901 8.316 -7.606 479 H ILE 10 HN ILE 10 -8.263 7.558 -3.485 480 HA ILE 10 HA ILE 10 -7.289 5.714 -2.621 481 HB ILE 10 HB ILE 10 -9.585 4.741 -3.440 482 1HG1 ILE 10 HG11 ILE 10 -8.971 2.596 -2.478 483 2HG1 ILE 10 HG12 ILE 10 -7.273 2.931 -2.755 484 1HG2 ILE 10 HG21 ILE 10 -8.995 2.632 -4.829 485 2HG2 ILE 10 HG22 ILE 10 -7.629 3.597 -5.386 486 3HG2 ILE 10 HG23 ILE 10 -9.278 4.164 -5.653 487 1HD1 ILE 10 HD11 ILE 10 -7.501 3.384 -0.515 488 2HD1 ILE 10 HD12 ILE 10 -9.112 4.074 -0.717 489 3HD1 ILE 10 HD13 ILE 10 -7.691 4.986 -1.231 490 H GLY 11 HN GLY 11 -7.323 5.523 -6.196 491 1HA GLY 11 HA2 GLY 11 -4.973 4.004 -6.432 492 2HA GLY 11 HA1 GLY 11 -5.652 5.034 -7.682 493 H ASP 12 HN ASP 12 -5.464 7.477 -6.117 494 HA ASP 12 HA ASP 12 -2.977 8.390 -6.935 495 1HB ASP 12 HB2 ASP 12 -4.806 9.457 -4.779 496 2HB ASP 12 HB1 ASP 12 -3.399 10.322 -5.389 497 H ARG 13 HN ARG 13 -3.971 7.410 -3.652 498 HA ARG 13 HA ARG 13 -1.441 7.849 -2.474 499 1HB ARG 13 HB2 ARG 13 -3.700 6.027 -1.635 500 2HB ARG 13 HB1 ARG 13 -2.291 6.383 -0.644 501 1HG ARG 13 HG2 ARG 13 -2.905 8.747 -0.622 502 2HG ARG 13 HG1 ARG 13 -4.322 8.382 -1.608 503 1HD ARG 13 HD2 ARG 13 -5.167 6.914 0.154 504 2HD ARG 13 HD1 ARG 13 -3.754 7.284 1.140 505 HE ARG 13 HE ARG 13 -6.102 8.818 0.958 506 1HH1 ARG 13 HH11 ARG 13 -2.639 9.202 1.045 507 2HH1 ARG 13 HH12 ARG 13 -2.704 10.779 1.758 508 1HH2 ARG 13 HH21 ARG 13 -6.195 10.890 1.895 509 2HH2 ARG 13 HH22 ARG 13 -4.725 11.737 2.242 510 H LEU 14 HN LEU 14 -2.952 4.993 -3.902 511 HA LEU 14 HA LEU 14 -1.015 3.093 -3.256 512 1HB LEU 14 HB2 LEU 14 -2.987 3.370 -5.492 513 2HB LEU 14 HB1 LEU 14 -1.818 2.068 -5.528 514 HG LEU 14 HG LEU 14 -4.050 1.421 -4.621 515 1HD1 LEU 14 HD11 LEU 14 -3.204 0.085 -2.855 516 2HD1 LEU 14 HD12 LEU 14 -1.857 1.190 -2.588 517 3HD1 LEU 14 HD13 LEU 14 -1.936 0.238 -4.071 518 1HD2 LEU 14 HD21 LEU 14 -3.369 3.552 -2.695 519 2HD2 LEU 14 HD22 LEU 14 -4.194 2.115 -2.088 520 3HD2 LEU 14 HD23 LEU 14 -4.927 3.079 -3.369 521 H ASP 15 HN ASP 15 -1.266 5.205 -6.092 522 HA ASP 15 HA ASP 15 1.021 4.255 -7.421 523 1HB ASP 15 HB2 ASP 15 -0.747 5.582 -8.515 524 2HB ASP 15 HB1 ASP 15 -0.259 6.991 -7.580 525 H GLU 16 HN GLU 16 0.573 7.099 -5.325 526 HA GLU 16 HA GLU 16 3.233 7.989 -5.439 527 1HB GLU 16 HB2 GLU 16 1.177 8.368 -3.256 528 2HB GLU 16 HB1 GLU 16 2.684 9.264 -3.387 529 1HG GLU 16 HG1 GLU 16 1.949 10.156 -5.550 530 2HG GLU 16 HG2 GLU 16 0.427 9.288 -5.378 531 H LEU 17 HN LEU 17 1.622 5.725 -3.255 532 HA LEU 17 HA LEU 17 3.699 5.441 -1.388 533 1HB LEU 17 HB1 LEU 17 1.268 4.566 -1.308 534 2HB LEU 17 HB2 LEU 17 1.890 3.177 -2.177 535 HG LEU 17 HG LEU 17 3.152 4.067 0.395 536 1HD1 LEU 17 HD21 LEU 17 0.528 3.519 0.364 537 2HD1 LEU 17 HD22 LEU 17 1.599 3.136 1.716 538 3HD1 LEU 17 HD23 LEU 17 1.183 1.890 0.537 539 1HD2 LEU 17 HD11 LEU 17 3.475 1.490 0.446 540 2HD2 LEU 17 HD12 LEU 17 4.513 2.493 -0.565 541 3HD2 LEU 17 HD13 LEU 17 3.169 1.609 -1.287 542 H GLU 18 HN GLU 18 3.008 3.735 -4.430 543 HA GLU 18 HA GLU 18 5.128 1.862 -4.254 544 1HB GLU 18 HB2 GLU 18 3.041 1.989 -5.865 545 2HB GLU 18 HB1 GLU 18 4.146 2.882 -6.896 546 1HG GLU 18 HG2 GLU 18 4.687 0.124 -5.823 547 2HG GLU 18 HG1 GLU 18 3.988 0.459 -7.402 548 H LYS 19 HN LYS 19 4.808 4.908 -6.056 549 HA LYS 19 HA LYS 19 7.322 5.065 -7.180 550 1HB LYS 19 HB2 LYS 19 5.668 7.332 -6.039 551 2HB LYS 19 HB1 LYS 19 7.000 7.517 -7.171 552 1HG LYS 19 HG2 LYS 19 4.517 5.935 -7.777 553 2HG LYS 19 HG1 LYS 19 4.716 7.640 -8.178 554 1HD LYS 19 HD1 LYS 19 6.534 5.427 -9.123 555 2HD LYS 19 HD2 LYS 19 5.220 6.124 -10.072 556 1HE LYS 19 HE1 LYS 19 6.298 8.325 -9.924 557 2HE LYS 19 HE2 LYS 19 7.625 7.603 -9.014 558 1HZ LYS 19 HZ1 LYS 19 8.505 7.515 -11.084 559 2HZ LYS 19 HZ2 LYS 19 7.006 7.419 -11.861 560 3HZ LYS 19 HZ3 LYS 19 7.668 6.045 -11.128 561 H ALA 20 HN ALA 20 6.253 5.809 -3.940 562 HA ALA 20 HA ALA 20 8.647 7.009 -3.030 563 1HB ALA 20 HB1 ALA 20 6.272 7.070 -2.022 564 2HB ALA 20 HB2 ALA 20 7.662 7.050 -0.937 565 3HB ALA 20 HB3 ALA 20 6.749 5.570 -1.226 566 H LEU 21 HN LEU 21 7.364 3.692 -2.770 567 HA LEU 21 HA LEU 21 9.439 2.630 -1.232 568 1HB LEU 21 HB1 LEU 21 7.905 1.208 -3.396 569 2HB LEU 21 HB2 LEU 21 8.838 0.442 -2.128 570 HG LEU 21 HG LEU 21 6.096 1.471 -2.099 571 1HD1 LEU 21 HD21 LEU 21 7.425 -0.865 -1.531 572 2HD1 LEU 21 HD22 LEU 21 5.744 -0.504 -1.138 573 3HD1 LEU 21 HD23 LEU 21 7.006 -0.235 0.061 574 1HD2 LEU 21 HD11 LEU 21 6.566 3.114 -0.610 575 2HD2 LEU 21 HD12 LEU 21 8.050 2.341 -0.056 576 3HD2 LEU 21 HD13 LEU 21 6.486 1.754 0.508 577 H GLU 22 HN GLU 22 9.170 3.161 -4.703 578 HA GLU 22 HA GLU 22 11.287 1.723 -5.678 579 1HB GLU 22 HB1 GLU 22 10.471 4.527 -6.464 580 2HB GLU 22 HB2 GLU 22 11.519 3.483 -7.414 581 1HG GLU 22 HG2 GLU 22 9.686 1.866 -7.631 582 2HG GLU 22 HG1 GLU 22 8.640 2.951 -6.717 583 H ALA 23 HN ALA 23 11.347 4.816 -4.002 584 HA ALA 23 HA ALA 23 14.168 5.206 -4.270 585 1HB ALA 23 HB1 ALA 23 13.261 7.236 -3.867 586 2HB ALA 23 HB2 ALA 23 13.513 6.782 -2.181 587 3HB ALA 23 HB3 ALA 23 11.928 6.572 -2.923 588 H LEU 24 HN LEU 24 12.027 3.969 -1.746 589 HA LEU 24 HA LEU 24 14.253 3.368 0.024 590 1HB LEU 24 HB1 LEU 24 11.294 2.860 0.312 591 2HB LEU 24 HB2 LEU 24 12.494 2.641 1.570 592 HG LEU 24 HG LEU 24 12.057 5.317 0.277 593 1HD1 LEU 24 HD11 LEU 24 10.082 3.956 1.606 594 2HD1 LEU 24 HD12 LEU 24 10.188 5.706 1.410 595 3HD1 LEU 24 HD13 LEU 24 10.813 4.944 2.872 596 1HD2 LEU 24 HD21 LEU 24 12.864 4.869 3.102 597 2HD2 LEU 24 HD22 LEU 24 13.306 6.166 1.993 598 3HD2 LEU 24 HD23 LEU 24 14.054 4.578 1.833 599 H SER 25 HN SER 25 13.417 1.970 -2.648 600 HA SER 25 HA SER 25 12.562 -0.596 -2.223 601 1HB SER 25 HB2 SER 25 13.594 -1.181 -4.328 602 2HB SER 25 HB1 SER 25 12.909 0.436 -4.439 603 HG SER 25 HG SER 25 14.826 1.204 -4.796 604 H ALA 26 HN ALA 26 13.459 -1.184 -0.182 605 HA ALA 26 HA ALA 26 14.892 -2.260 1.211 606 1HB ALA 26 HB1 ALA 26 14.410 -3.827 -0.839 607 2HB ALA 26 HB2 ALA 26 15.567 -4.288 0.411 608 3HB ALA 26 HB3 ALA 26 16.140 -3.620 -1.119 609 H GLU 27 HN GLU 27 15.872 0.289 0.407 610 HA GLU 27 HA GLU 27 18.639 0.054 -0.303 611 1HB GLU 27 HB1 GLU 27 16.945 2.354 0.634 612 2HB GLU 27 HB2 GLU 27 18.681 2.516 0.425 613 1HG GLU 27 HG1 GLU 27 18.347 1.710 -1.942 614 2HG GLU 27 HG2 GLU 27 16.618 1.906 -1.667 615 H ASP 28 HN ASP 28 16.841 0.224 2.692 616 HA ASP 28 HA ASP 28 19.297 -0.372 4.142 617 1HB ASP 28 HB1 ASP 28 18.960 2.136 4.138 618 2HB ASP 28 HB2 ASP 28 17.489 1.865 5.063 619 H GLY 29 HN GLY 29 17.553 -2.279 3.717 620 1HA GLY 29 HA1 GLY 29 16.151 -3.812 4.696 621 2HA GLY 29 HA2 GLY 29 16.809 -3.220 6.214 622 H HIS 30 HN HIS 30 14.703 -1.745 3.759 623 HA HIS 30 HA HIS 30 13.047 -0.554 5.760 624 1HB HIS 30 HB2 HIS 30 12.944 -0.690 2.760 625 2HB HIS 30 HB1 HIS 30 11.643 0.056 3.676 626 HD1 HIS 30 HD1 HIS 30 12.929 1.798 5.645 627 HD2 HIS 30 HD2 HIS 30 14.565 1.256 1.865 628 HE1 HIS 30 HE1 HIS 30 14.420 3.788 5.269 629 HE2 HIS 30 HE2 HIS 30 15.336 3.479 2.942 630 H ASP 31 HN ASP 31 13.121 -3.406 5.994 631 HA ASP 31 HA ASP 31 11.020 -4.813 4.915 632 1HB ASP 31 HB2 ASP 31 12.677 -5.876 6.342 633 2HB ASP 31 HB1 ASP 31 12.108 -4.958 7.734 634 H ASP 32 HN ASP 32 10.971 -2.344 7.371 635 HA ASP 32 HA ASP 32 8.484 -2.770 8.526 636 1HB ASP 32 HB1 ASP 32 10.124 -1.092 9.317 637 2HB ASP 32 HB2 ASP 32 9.771 -0.102 7.904 638 H VAL 33 HN VAL 33 9.320 -1.060 5.529 639 HA VAL 33 HA VAL 33 6.796 -0.037 4.939 640 HB VAL 33 HB VAL 33 8.695 -1.031 2.823 641 1HG1 VAL 33 HG21 VAL 33 7.525 0.237 1.373 642 2HG1 VAL 33 HG22 VAL 33 7.193 1.494 2.567 643 3HG1 VAL 33 HG23 VAL 33 6.231 0.014 2.552 644 1HG2 VAL 33 HG11 VAL 33 8.884 1.781 3.635 645 2HG2 VAL 33 HG12 VAL 33 10.155 0.632 3.216 646 3HG2 VAL 33 HG13 VAL 33 9.468 0.632 4.840 647 H GLY 34 HN GLY 34 8.181 -3.215 4.363 648 1HA GLY 34 HA1 GLY 34 6.031 -4.226 2.798 649 2HA GLY 34 HA2 GLY 34 7.232 -5.186 3.649 650 H GLN 35 HN GLN 35 6.703 -4.108 6.240 651 HA GLN 35 HA GLN 35 4.671 -5.848 7.108 652 1HB GLN 35 HB1 GLN 35 6.473 -5.193 8.585 653 2HB GLN 35 HB2 GLN 35 5.998 -3.506 8.482 654 1HG GLN 35 HG1 GLN 35 5.319 -4.484 10.593 655 2HG GLN 35 HG2 GLN 35 3.920 -4.001 9.638 656 1HE2 GLN 35 HE22 GLN 35 2.324 -5.384 9.760 657 2HE2 GLN 35 HE21 GLN 35 2.462 -7.100 9.903 658 H ARG 36 HN ARG 36 4.727 -2.309 6.760 659 HA ARG 36 HA ARG 36 2.015 -1.952 7.541 660 1HB ARG 36 HB2 ARG 36 3.862 -0.141 5.975 661 2HB ARG 36 HB1 ARG 36 2.300 0.338 6.626 662 1HG ARG 36 HG2 ARG 36 3.110 -0.095 8.890 663 2HG ARG 36 HG1 ARG 36 4.678 -0.572 8.235 664 1HD ARG 36 HD1 ARG 36 4.972 1.661 7.302 665 2HD ARG 36 HD2 ARG 36 3.398 2.140 7.932 666 HE ARG 36 HE ARG 36 5.842 2.075 9.362 667 1HH1 ARG 36 HH11 ARG 36 2.421 1.503 9.725 668 2HH1 ARG 36 HH12 ARG 36 2.423 1.807 11.430 669 1HH2 ARG 36 HH21 ARG 36 5.851 2.473 11.603 670 2HH2 ARG 36 HH22 ARG 36 4.372 2.359 12.497 671 H LEU 37 HN LEU 37 3.666 -2.095 4.416 672 HA LEU 37 HA LEU 37 1.502 -1.571 2.739 673 1HB LEU 37 HB1 LEU 37 4.130 -2.137 2.376 674 2HB LEU 37 HB2 LEU 37 3.412 -3.644 1.849 675 HG LEU 37 HG LEU 37 2.912 -0.901 0.698 676 1HD1 LEU 37 HD21 LEU 37 4.246 -3.377 -0.392 677 2HD1 LEU 37 HD22 LEU 37 5.020 -1.845 0.013 678 3HD1 LEU 37 HD23 LEU 37 3.884 -1.929 -1.332 679 1HD2 LEU 37 HD11 LEU 37 0.941 -2.633 0.845 680 2HD2 LEU 37 HD12 LEU 37 1.791 -3.381 -0.507 681 3HD2 LEU 37 HD13 LEU 37 1.232 -1.713 -0.631 682 H GLU 38 HN GLU 38 2.695 -4.614 4.072 683 HA GLU 38 HA GLU 38 0.753 -6.267 2.839 684 1HB GLU 38 HB2 GLU 38 3.008 -6.952 3.823 685 2HB GLU 38 HB1 GLU 38 2.232 -6.874 5.398 686 1HG GLU 38 HG2 GLU 38 1.013 -8.523 3.244 687 2HG GLU 38 HG1 GLU 38 2.417 -9.128 4.115 688 H SER 39 HN SER 39 0.944 -4.541 5.888 689 HA SER 39 HA SER 39 -1.310 -5.659 7.145 690 1HB SER 39 HB2 SER 39 0.324 -4.279 8.360 691 2HB SER 39 HB1 SER 39 -0.156 -2.868 7.417 692 HG SER 39 HG SER 39 -1.443 -2.628 9.093 693 H LEU 40 HN LEU 40 -0.908 -3.068 4.816 694 HA LEU 40 HA LEU 40 -3.434 -1.904 4.899 695 1HB LEU 40 HB1 LEU 40 -1.698 -2.361 2.470 696 2HB LEU 40 HB2 LEU 40 -3.018 -1.215 2.579 697 HG LEU 40 HG LEU 40 -0.474 -1.081 4.197 698 1HD1 LEU 40 HD21 LEU 40 0.457 -0.137 2.421 699 2HD1 LEU 40 HD22 LEU 40 -0.773 1.127 2.474 700 3HD1 LEU 40 HD23 LEU 40 -1.038 -0.321 1.504 701 1HD2 LEU 40 HD11 LEU 40 -2.006 1.347 3.974 702 2HD2 LEU 40 HD12 LEU 40 -1.418 0.516 5.414 703 3HD2 LEU 40 HD13 LEU 40 -2.964 0.057 4.699 704 H LEU 41 HN LEU 41 -2.254 -4.581 2.891 705 HA LEU 41 HA LEU 41 -4.791 -5.091 1.708 706 1HB LEU 41 HB1 LEU 41 -2.139 -6.451 1.694 707 2HB LEU 41 HB2 LEU 41 -3.544 -7.310 1.097 708 HG LEU 41 HG LEU 41 -2.734 -4.599 0.073 709 1HD1 LEU 41 HD21 LEU 41 -1.633 -5.617 -1.754 710 2HD1 LEU 41 HD22 LEU 41 -2.143 -7.231 -1.253 711 3HD1 LEU 41 HD23 LEU 41 -0.962 -6.341 -0.291 712 1HD2 LEU 41 HD11 LEU 41 -5.051 -6.128 -0.226 713 2HD2 LEU 41 HD12 LEU 41 -4.159 -6.315 -1.739 714 3HD2 LEU 41 HD13 LEU 41 -4.575 -4.704 -1.152 715 H ARG 42 HN ARG 42 -2.999 -6.612 4.374 716 HA ARG 42 HA ARG 42 -4.636 -8.818 4.758 717 1HB ARG 42 HB1 ARG 42 -2.536 -8.463 5.995 718 2HB ARG 42 HB2 ARG 42 -3.285 -7.153 6.894 719 1HG ARG 42 HG2 ARG 42 -3.189 -9.217 8.196 720 2HG ARG 42 HG1 ARG 42 -4.853 -8.707 7.904 721 1HD ARG 42 HD2 ARG 42 -4.611 -11.113 7.606 722 2HD ARG 42 HD1 ARG 42 -5.038 -10.326 6.087 723 HE ARG 42 HE ARG 42 -2.251 -10.542 6.222 724 1HH1 ARG 42 HH11 ARG 42 -5.066 -12.577 5.927 725 2HH1 ARG 42 HH12 ARG 42 -4.236 -13.816 5.047 726 1HH2 ARG 42 HH21 ARG 42 -1.152 -12.170 5.061 727 2HH2 ARG 42 HH22 ARG 42 -2.013 -13.585 4.555 728 H ARG 43 HN ARG 43 -5.056 -5.478 5.746 729 HA ARG 43 HA ARG 43 -7.545 -6.033 7.129 730 1HB ARG 43 HB1 ARG 43 -6.275 -3.373 6.451 731 2HB ARG 43 HB2 ARG 43 -7.599 -3.637 7.573 732 1HG ARG 43 HG1 ARG 43 -4.781 -4.647 7.896 733 2HG ARG 43 HG2 ARG 43 -5.503 -3.284 8.748 734 1HD ARG 43 HD2 ARG 43 -7.153 -4.799 9.752 735 2HD ARG 43 HD1 ARG 43 -6.397 -6.158 8.920 736 HE ARG 43 HE ARG 43 -4.444 -4.833 10.430 737 1HH1 ARG 43 HH11 ARG 43 -7.298 -6.777 10.885 738 2HH1 ARG 43 HH12 ARG 43 -6.775 -7.421 12.404 739 1HH2 ARG 43 HH21 ARG 43 -3.746 -5.675 12.430 740 2HH2 ARG 43 HH22 ARG 43 -4.756 -6.795 13.283 741 H TRP 44 HN TRP 44 -6.430 -4.566 4.137 742 HA TRP 44 HA TRP 44 -8.807 -3.496 3.153 743 1HB TRP 44 HB2 TRP 44 -6.633 -3.051 2.154 744 2HB TRP 44 HB1 TRP 44 -6.484 -4.734 1.665 745 HD1 TRP 44 HD1 TRP 44 -6.591 -4.685 -0.886 746 HE1 TRP 44 HE1 TRP 44 -8.187 -3.702 -2.638 747 HE3 TRP 44 HE3 TRP 44 -9.663 -1.996 2.209 748 HZ2 TRP 44 HZ2 TRP 44 -10.411 -2.006 -2.710 749 HZ3 TRP 44 HZ3 TRP 44 -11.494 -0.708 1.178 750 HH2 TRP 44 HH2 TRP 44 -11.863 -0.721 -1.214 751 H ASN 45 HN ASN 45 -7.363 -6.662 2.395 752 HA ASN 45 HA ASN 45 -9.510 -7.642 0.886 753 1HB ASN 45 HB2 ASN 45 -7.367 -9.129 2.414 754 2HB ASN 45 HB1 ASN 45 -8.457 -9.870 1.246 755 1HD2 ASN 45 HD22 ASN 45 -5.454 -8.654 1.637 756 2HD2 ASN 45 HD21 ASN 45 -5.088 -8.233 0.003 757 H SER 46 HN SER 46 -8.738 -7.986 4.334 758 HA SER 46 HA SER 46 -10.706 -9.826 5.026 759 1HB SER 46 HB1 SER 46 -9.528 -7.549 6.628 760 2HB SER 46 HB2 SER 46 -10.594 -8.772 7.316 761 HG SER 46 HG SER 46 -8.942 -10.038 7.445 762 H ARG 47 HN ARG 47 -10.892 -6.295 4.822 763 HA ARG 47 HA ARG 47 -13.523 -6.009 5.745 764 1HB ARG 47 HB1 ARG 47 -11.956 -4.312 3.794 765 2HB ARG 47 HB2 ARG 47 -13.484 -3.835 4.519 766 1HG ARG 47 HG2 ARG 47 -12.489 -3.884 6.725 767 2HG ARG 47 HG1 ARG 47 -10.965 -4.456 6.047 768 1HD ARG 47 HD2 ARG 47 -10.759 -2.382 4.766 769 2HD ARG 47 HD1 ARG 47 -12.283 -1.813 5.439 770 HE ARG 47 HE ARG 47 -9.752 -1.614 6.651 771 1HH1 ARG 47 HH11 ARG 47 -13.066 -2.366 7.432 772 2HH1 ARG 47 HH12 ARG 47 -12.924 -1.864 9.083 773 1HH2 ARG 47 HH21 ARG 47 -9.559 -0.954 8.823 774 2HH2 ARG 47 HH22 ARG 47 -10.932 -1.063 9.874 775 H ARG 48 HN ARG 48 -12.219 -6.750 2.565 776 HA ARG 48 HA ARG 48 -14.506 -6.407 1.011 777 1HB ARG 48 HB1 ARG 48 -12.314 -8.470 0.721 778 2HB ARG 48 HB2 ARG 48 -13.488 -8.073 -0.523 779 1HG ARG 48 HG2 ARG 48 -12.621 -5.815 -0.660 780 2HG ARG 48 HG1 ARG 48 -11.484 -6.154 0.645 781 1HD ARG 48 HD1 ARG 48 -10.422 -6.284 -1.567 782 2HD ARG 48 HD2 ARG 48 -10.376 -7.826 -0.713 783 HE ARG 48 HE ARG 48 -12.653 -7.766 -2.348 784 1HH1 ARG 48 HH11 ARG 48 -9.181 -7.897 -2.613 785 2HH1 ARG 48 HH12 ARG 48 -9.200 -8.755 -4.117 786 1HH2 ARG 48 HH21 ARG 48 -12.687 -8.897 -4.327 787 2HH2 ARG 48 HH22 ARG 48 -11.192 -9.323 -5.091 788 H ALA 49 HN ALA 49 -13.371 -9.275 2.770 789 HA ALA 49 HA ALA 49 -15.486 -10.981 2.051 790 1HB ALA 49 HB1 ALA 49 -14.775 -11.998 4.424 791 2HB ALA 49 HB2 ALA 49 -13.376 -10.968 4.123 792 3HB ALA 49 HB3 ALA 49 -13.818 -12.217 2.960 793 H ASP 50 HN ASP 50 -15.039 -8.814 4.814 794 HA ASP 50 HA ASP 50 -17.603 -9.463 5.954 795 1HB ASP 50 HB2 ASP 50 -15.668 -7.235 6.630 796 2HB ASP 50 HB1 ASP 50 -17.070 -7.700 7.589 797 H ALA 51 HN ALA 51 -18.058 -8.738 3.379 798 HA ALA 51 HA ALA 51 -18.504 -6.064 2.800 799 1HB ALA 51 HB1 ALA 51 -18.888 -7.182 0.900 800 2HB ALA 51 HB2 ALA 51 -20.548 -7.308 1.481 801 3HB ALA 51 HB3 ALA 51 -19.417 -8.634 1.750 802 HA PRO 52 HA PRO 52 -21.695 -4.832 5.631 803 1HB PRO 52 HB2 PRO 52 -22.418 -2.906 3.495 804 2HB PRO 52 HB1 PRO 52 -21.980 -2.606 5.180 805 1HG PRO 52 HG2 PRO 52 -20.282 -2.046 3.200 806 2HG PRO 52 HG1 PRO 52 -19.706 -2.704 4.744 807 1HD PRO 52 HD2 PRO 52 -20.096 -4.088 2.120 808 2HD PRO 52 HD1 PRO 52 -18.795 -4.280 3.314 809 H SER 53 HN SER 53 -22.389 -5.299 2.202 810 HA SER 53 HA SER 53 -25.221 -5.529 2.557 811 1HB SER 53 HB1 SER 53 -24.306 -4.744 0.439 812 2HB SER 53 HB2 SER 53 -23.446 -6.267 0.219 813 HG SER 53 HG SER 53 -25.186 -6.985 -0.675 814 H THR 54 HN THR 54 -24.222 -7.236 4.389 815 HA THR 54 HA THR 54 -23.757 -9.877 3.583 816 HB THR 54 HB THR 54 -24.424 -10.530 5.869 817 HG1 THR 54 HG1 THR 54 -24.801 -8.053 6.876 818 1HG2 THR 54 HG21 THR 54 -22.672 -9.421 7.011 819 2HG2 THR 54 HG22 THR 54 -22.822 -7.983 6.000 820 3HG2 THR 54 HG23 THR 54 -22.178 -9.478 5.320 821 H SER 55 HN SER 55 -25.061 -11.568 3.087 822 HA SER 55 HA SER 55 -27.827 -11.696 3.665 823 1HB SER 55 HB1 SER 55 -27.969 -9.964 1.924 824 2HB SER 55 HB2 SER 55 -27.118 -11.022 0.797 825 HG SER 55 HG SER 55 -28.981 -11.847 0.346 826 H ALA 56 HN ALA 56 -25.738 -13.440 4.046 827 HA ALA 56 HA ALA 56 -25.677 -15.427 1.963 828 1HB ALA 56 HB1 ALA 56 -23.766 -15.902 2.987 829 2HB ALA 56 HB2 ALA 56 -24.687 -16.538 4.349 830 3HB ALA 56 HB3 ALA 56 -24.185 -14.848 4.337 831 H ILE 57 HN ILE 57 -28.304 -14.991 2.636 832 HA ILE 57 HA ILE 57 -29.378 -16.648 4.618 833 HB ILE 57 HB ILE 57 -30.717 -14.928 3.551 834 1HG1 ILE 57 HG12 ILE 57 -32.777 -16.239 3.118 835 2HG1 ILE 57 HG11 ILE 57 -31.809 -17.706 3.053 836 1HG2 ILE 57 HG21 ILE 57 -31.497 -16.173 1.126 837 2HG2 ILE 57 HG22 ILE 57 -29.736 -16.095 1.158 838 3HG2 ILE 57 HG23 ILE 57 -30.687 -14.623 1.357 839 1HD1 ILE 57 HD11 ILE 57 -33.054 -17.146 5.220 840 2HD1 ILE 57 HD12 ILE 57 -31.775 -15.959 5.477 841 3HD1 ILE 57 HD13 ILE 57 -31.373 -17.670 5.328 842 H SER 58 HN SER 58 -29.933 -18.758 4.705 843 HA SER 58 HA SER 58 -28.697 -20.583 2.919 844 1HB SER 58 HB2 SER 58 -30.808 -21.103 5.026 845 2HB SER 58 HB1 SER 58 -29.782 -22.321 4.269 846 HG SER 58 HG SER 58 -29.260 -20.796 6.387 847 H GLU 59 HN GLU 59 -31.225 -22.376 3.219 848 HA GLU 59 HA GLU 59 -32.101 -22.163 0.563 849 1HB GLU 59 HB2 GLU 59 -33.468 -23.485 2.915 850 2HB GLU 59 HB1 GLU 59 -33.870 -23.752 1.224 851 1HG GLU 59 HG2 GLU 59 -31.218 -24.383 2.502 852 2HG GLU 59 HG1 GLU 59 -32.497 -25.549 2.168 853 H ASP 60 HN ASP 60 -33.743 -21.098 -0.399 854 HA ASP 60 HA ASP 60 -36.012 -20.067 0.925 855 1HB ASP 60 HB1 ASP 60 -34.410 -18.469 1.867 856 2HB ASP 60 HB2 ASP 60 -33.871 -18.038 0.249 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 -1.547 15.607 -10.379 2 2H GLY 1 HT2 GLY 1 -1.604 16.970 -9.380 3 3H GLY 1 HT3 GLY 1 -1.006 15.506 -8.779 4 1HA GLY 1 HA1 GLY 1 0.860 15.600 -10.310 5 2HA GLY 1 HA2 GLY 1 0.241 17.119 -10.936 6 H SER 2 HN SER 2 1.716 18.584 -10.335 7 HA SER 2 HA SER 2 3.017 19.915 -9.031 8 1HB SER 2 HB2 SER 2 0.870 20.414 -7.943 9 2HB SER 2 HB1 SER 2 1.094 19.039 -6.861 10 HG SER 2 HG SER 2 2.577 20.117 -5.761 11 H ALA 3 HN ALA 3 4.106 17.458 -9.486 12 HA ALA 3 HA ALA 3 5.725 16.023 -8.788 13 1HB ALA 3 HB1 ALA 3 7.356 16.853 -7.305 14 2HB ALA 3 HB2 ALA 3 6.191 17.888 -6.476 15 3HB ALA 3 HB3 ALA 3 6.697 18.271 -8.121 16 H ALA 4 HN ALA 4 6.393 15.988 -5.749 17 HA ALA 4 HA ALA 4 4.115 14.977 -4.413 18 1HB ALA 4 HB1 ALA 4 4.533 12.623 -4.428 19 2HB ALA 4 HB2 ALA 4 6.022 12.838 -5.349 20 3HB ALA 4 HB3 ALA 4 4.462 13.169 -6.103 21 H SER 5 HN SER 5 5.952 12.825 -3.169 22 HA SER 5 HA SER 5 8.173 14.101 -2.014 23 1HB SER 5 HB2 SER 5 7.308 14.495 0.269 24 2HB SER 5 HB1 SER 5 6.510 15.524 -0.919 25 HG SER 5 HG SER 5 5.227 13.149 -0.589 26 HA PRO 6 HA PRO 6 7.353 9.421 -1.520 27 1HB PRO 6 HB2 PRO 6 9.813 8.812 -2.675 28 2HB PRO 6 HB1 PRO 6 8.239 8.692 -3.459 29 1HG PRO 6 HG1 PRO 6 10.297 10.839 -3.641 30 2HG PRO 6 HG2 PRO 6 9.180 10.248 -4.881 31 1HD PRO 6 HD2 PRO 6 8.793 12.588 -3.605 32 2HD PRO 6 HD1 PRO 6 7.440 11.563 -4.121 33 H ALA 7 HN ALA 7 8.490 8.003 -0.173 34 HA ALA 7 HA ALA 7 9.693 7.414 1.649 35 1HB ALA 7 HB1 ALA 7 11.518 8.681 -0.122 36 2HB ALA 7 HB2 ALA 7 11.831 7.427 1.077 37 3HB ALA 7 HB3 ALA 7 11.944 9.128 1.529 38 H VAL 8 HN VAL 8 7.760 9.347 1.967 39 HA VAL 8 HA VAL 8 8.748 11.340 3.774 40 HB VAL 8 HB VAL 8 6.854 11.882 2.313 41 1HG1 VAL 8 HG11 VAL 8 5.254 10.391 1.964 42 2HG1 VAL 8 HG12 VAL 8 4.700 10.636 3.621 43 3HG1 VAL 8 HG13 VAL 8 5.877 9.372 3.262 44 1HG2 VAL 8 HG21 VAL 8 6.612 12.016 5.270 45 2HG2 VAL 8 HG22 VAL 8 5.239 12.534 4.291 46 3HG2 VAL 8 HG23 VAL 8 6.809 13.311 4.088 47 H ASP 9 HN ASP 9 9.646 9.123 4.632 48 HA ASP 9 HA ASP 9 9.903 7.958 6.566 49 1HB ASP 9 HB2 ASP 9 8.612 9.774 7.752 50 2HB ASP 9 HB1 ASP 9 7.139 8.885 7.381 51 H ILE 10 HN ILE 10 7.893 7.758 4.165 52 HA ILE 10 HA ILE 10 6.782 6.274 3.005 53 HB ILE 10 HB ILE 10 9.027 5.159 3.620 54 1HG1 ILE 10 HG11 ILE 10 8.389 3.350 2.129 55 2HG1 ILE 10 HG12 ILE 10 6.692 3.691 2.415 56 1HG2 ILE 10 HG21 ILE 10 7.477 2.848 4.486 57 2HG2 ILE 10 HG22 ILE 10 7.550 4.154 5.669 58 3HG2 ILE 10 HG23 ILE 10 9.039 3.447 5.043 59 1HD1 ILE 10 HD11 ILE 10 8.633 5.639 1.178 60 2HD1 ILE 10 HD12 ILE 10 6.883 5.844 1.345 61 3HD1 ILE 10 HD13 ILE 10 7.533 4.599 0.264 62 H GLY 11 HN GLY 11 6.586 5.438 6.466 63 1HA GLY 11 HA2 GLY 11 4.200 3.924 6.148 64 2HA GLY 11 HA1 GLY 11 4.792 4.575 7.655 65 H ASP 12 HN ASP 12 4.963 7.126 5.900 66 HA ASP 12 HA ASP 12 2.471 8.200 6.806 67 1HB ASP 12 HB2 ASP 12 4.514 9.580 6.772 68 2HB ASP 12 HB1 ASP 12 4.649 9.346 5.024 69 H ARG 13 HN ARG 13 3.998 7.191 3.885 70 HA ARG 13 HA ARG 13 2.146 7.958 1.934 71 1HB ARG 13 HB2 ARG 13 3.930 5.533 2.156 72 2HB ARG 13 HB1 ARG 13 3.276 6.170 0.672 73 1HG ARG 13 HG2 ARG 13 5.050 7.802 2.437 74 2HG ARG 13 HG1 ARG 13 5.712 6.669 1.258 75 1HD ARG 13 HD2 ARG 13 5.630 8.905 0.344 76 2HD ARG 13 HD1 ARG 13 4.540 7.829 -0.523 77 HE ARG 13 HE ARG 13 3.096 9.123 1.503 78 1HH1 ARG 13 HH11 ARG 13 4.683 9.871 -1.509 79 2HH1 ARG 13 HH12 ARG 13 3.650 11.214 -1.864 80 1HH2 ARG 13 HH21 ARG 13 1.735 10.885 1.043 81 2HH2 ARG 13 HH22 ARG 13 1.975 11.793 -0.413 82 H LEU 14 HN LEU 14 2.704 5.022 3.652 83 HA LEU 14 HA LEU 14 0.614 3.387 2.823 84 1HB LEU 14 HB2 LEU 14 2.467 3.680 5.129 85 2HB LEU 14 HB1 LEU 14 1.303 2.396 5.167 86 HG LEU 14 HG LEU 14 2.988 2.651 2.739 87 1HD1 LEU 14 HD11 LEU 14 3.978 1.983 5.465 88 2HD1 LEU 14 HD12 LEU 14 4.738 2.944 4.189 89 3HD1 LEU 14 HD13 LEU 14 4.675 1.183 4.054 90 1HD2 LEU 14 HD21 LEU 14 2.934 0.193 2.892 91 2HD2 LEU 14 HD22 LEU 14 1.320 0.906 2.853 92 3HD2 LEU 14 HD23 LEU 14 1.992 0.327 4.377 93 H ASP 15 HN ASP 15 0.986 5.210 5.837 94 HA ASP 15 HA ASP 15 -1.350 4.564 7.099 95 1HB ASP 15 HB1 ASP 15 0.543 5.994 7.968 96 2HB ASP 15 HB2 ASP 15 -0.157 7.338 7.079 97 H GLU 16 HN GLU 16 -0.779 7.205 4.839 98 HA GLU 16 HA GLU 16 -3.389 8.193 4.799 99 1HB GLU 16 HB2 GLU 16 -1.296 8.324 2.634 100 2HB GLU 16 HB1 GLU 16 -2.738 9.325 2.715 101 1HG GLU 16 HG2 GLU 16 -1.929 10.232 4.866 102 2HG GLU 16 HG1 GLU 16 -0.449 9.307 4.661 103 H LEU 17 HN LEU 17 -1.915 5.529 3.211 104 HA LEU 17 HA LEU 17 -3.835 5.188 1.143 105 1HB LEU 17 HB1 LEU 17 -1.494 4.297 1.069 106 2HB LEU 17 HB2 LEU 17 -1.923 3.181 2.342 107 HG LEU 17 HG LEU 17 -3.424 1.979 0.933 108 1HD1 LEU 17 HD11 LEU 17 -2.892 3.634 -1.461 109 2HD1 LEU 17 HD12 LEU 17 -4.018 4.273 -0.263 110 3HD1 LEU 17 HD13 LEU 17 -4.326 2.707 -1.014 111 1HD2 LEU 17 HD21 LEU 17 -1.226 1.241 0.605 112 2HD2 LEU 17 HD22 LEU 17 -0.805 2.653 -0.367 113 3HD2 LEU 17 HD23 LEU 17 -1.895 1.424 -1.016 114 H GLU 18 HN GLU 18 -3.250 3.669 4.218 115 HA GLU 18 HA GLU 18 -5.403 1.844 4.111 116 1HB GLU 18 HB2 GLU 18 -3.507 1.510 5.630 117 2HB GLU 18 HB1 GLU 18 -3.916 2.999 6.476 118 1HG GLU 18 HG1 GLU 18 -5.988 2.030 7.246 119 2HG GLU 18 HG2 GLU 18 -5.661 0.560 6.337 120 H LYS 19 HN LYS 19 -4.999 5.021 5.474 121 HA LYS 19 HA LYS 19 -7.501 5.166 6.657 122 1HB LYS 19 HB2 LYS 19 -5.781 7.381 5.577 123 2HB LYS 19 HB1 LYS 19 -7.102 7.575 6.731 124 1HG LYS 19 HG1 LYS 19 -4.867 5.692 7.264 125 2HG LYS 19 HG2 LYS 19 -4.673 7.419 7.591 126 1HD LYS 19 HD2 LYS 19 -6.731 5.542 8.756 127 2HD LYS 19 HD1 LYS 19 -5.383 6.289 9.612 128 1HE LYS 19 HE1 LYS 19 -7.672 7.781 8.350 129 2HE LYS 19 HE2 LYS 19 -7.543 7.394 10.065 130 1HZ LYS 19 HZ1 LYS 19 -6.432 9.279 10.304 131 2HZ LYS 19 HZ2 LYS 19 -6.386 9.544 8.634 132 3HZ LYS 19 HZ3 LYS 19 -5.173 8.629 9.377 133 H ALA 20 HN ALA 20 -6.283 5.894 3.472 134 HA ALA 20 HA ALA 20 -8.598 7.084 2.386 135 1HB ALA 20 HB1 ALA 20 -6.777 5.319 0.805 136 2HB ALA 20 HB2 ALA 20 -6.176 6.865 1.430 137 3HB ALA 20 HB3 ALA 20 -7.546 6.840 0.311 138 H LEU 21 HN LEU 21 -7.340 3.888 2.429 139 HA LEU 21 HA LEU 21 -9.264 2.555 0.989 140 1HB LEU 21 HB1 LEU 21 -6.945 2.044 2.387 141 2HB LEU 21 HB2 LEU 21 -8.154 1.057 3.121 142 HG LEU 21 HG LEU 21 -7.921 -0.398 1.546 143 1HD1 LEU 21 HD21 LEU 21 -8.775 0.013 -0.606 144 2HD1 LEU 21 HD22 LEU 21 -8.445 1.742 -0.455 145 3HD1 LEU 21 HD23 LEU 21 -9.703 0.995 0.534 146 1HD2 LEU 21 HD11 LEU 21 -6.205 1.602 0.143 147 2HD2 LEU 21 HD12 LEU 21 -6.277 -0.138 -0.177 148 3HD2 LEU 21 HD13 LEU 21 -5.659 0.455 1.371 149 H GLU 22 HN GLU 22 -8.982 3.200 4.404 150 HA GLU 22 HA GLU 22 -11.081 1.792 5.385 151 1HB GLU 22 HB2 GLU 22 -10.085 4.526 6.157 152 2HB GLU 22 HB1 GLU 22 -11.321 3.678 7.080 153 1HG GLU 22 HG2 GLU 22 -9.728 1.842 7.475 154 2HG GLU 22 HG1 GLU 22 -8.495 2.759 6.614 155 H ALA 23 HN ALA 23 -11.031 4.615 3.488 156 HA ALA 23 HA ALA 23 -13.796 5.250 3.827 157 1HB ALA 23 HB1 ALA 23 -11.505 6.386 2.440 158 2HB ALA 23 HB2 ALA 23 -12.936 7.187 3.096 159 3HB ALA 23 HB3 ALA 23 -12.987 6.472 1.484 160 H LEU 24 HN LEU 24 -11.780 3.749 1.338 161 HA LEU 24 HA LEU 24 -14.093 3.024 -0.221 162 1HB LEU 24 HB1 LEU 24 -11.167 2.649 -0.612 163 2HB LEU 24 HB2 LEU 24 -12.329 1.852 -1.656 164 HG LEU 24 HG LEU 24 -13.312 4.225 -1.966 165 1HD1 LEU 24 HD11 LEU 24 -10.666 4.740 -0.694 166 2HD1 LEU 24 HD12 LEU 24 -12.250 5.420 -0.306 167 3HD1 LEU 24 HD13 LEU 24 -11.414 5.915 -1.782 168 1HD2 LEU 24 HD21 LEU 24 -11.137 2.841 -3.246 169 2HD2 LEU 24 HD22 LEU 24 -11.018 4.590 -3.450 170 3HD2 LEU 24 HD23 LEU 24 -12.483 3.740 -3.946 171 H SER 25 HN SER 25 -13.328 1.802 2.499 172 HA SER 25 HA SER 25 -12.613 -0.822 2.376 173 1HB SER 25 HB2 SER 25 -14.812 0.347 4.089 174 2HB SER 25 HB1 SER 25 -13.995 -1.185 4.383 175 HG SER 25 HG SER 25 -13.260 1.018 5.370 176 H ALA 26 HN ALA 26 -13.323 -1.716 0.394 177 HA ALA 26 HA ALA 26 -14.689 -2.901 -0.996 178 1HB ALA 26 HB1 ALA 26 -14.697 -4.191 1.206 179 2HB ALA 26 HB2 ALA 26 -15.957 -4.563 0.028 180 3HB ALA 26 HB3 ALA 26 -16.319 -3.537 1.417 181 H GLU 27 HN GLU 27 -15.336 -0.182 -0.533 182 HA GLU 27 HA GLU 27 -18.026 0.367 -0.150 183 1HB GLU 27 HB2 GLU 27 -15.814 1.785 -1.567 184 2HB GLU 27 HB1 GLU 27 -17.433 2.461 -1.533 185 1HG GLU 27 HG1 GLU 27 -15.922 1.624 0.918 186 2HG GLU 27 HG2 GLU 27 -15.880 3.264 0.264 187 H ASP 28 HN ASP 28 -16.345 -0.512 -3.131 188 HA ASP 28 HA ASP 28 -18.833 -1.281 -4.321 189 1HB ASP 28 HB2 ASP 28 -18.527 1.283 -4.559 190 2HB ASP 28 HB1 ASP 28 -17.348 0.851 -5.787 191 H GLY 29 HN GLY 29 -16.830 -2.839 -3.809 192 1HA GLY 29 HA1 GLY 29 -15.457 -4.414 -4.720 193 2HA GLY 29 HA2 GLY 29 -16.192 -4.018 -6.265 194 H HIS 30 HN HIS 30 -14.162 -2.194 -3.999 195 HA HIS 30 HA HIS 30 -12.665 -1.079 -6.145 196 1HB HIS 30 HB1 HIS 30 -12.425 -0.862 -3.149 197 2HB HIS 30 HB2 HIS 30 -11.233 -0.148 -4.231 198 HD1 HIS 30 HD1 HIS 30 -12.507 1.389 -6.221 199 HD2 HIS 30 HD2 HIS 30 -14.372 0.957 -2.533 200 HE1 HIS 30 HE1 HIS 30 -14.131 3.297 -6.059 201 HE2 HIS 30 HE2 HIS 30 -15.321 2.954 -3.864 202 H ASP 31 HN ASP 31 -12.457 -3.737 -6.434 203 HA ASP 31 HA ASP 31 -10.285 -5.027 -5.246 204 1HB ASP 31 HB2 ASP 31 -11.958 -6.178 -6.645 205 2HB ASP 31 HB1 ASP 31 -11.354 -5.335 -8.065 206 H ASP 32 HN ASP 32 -10.429 -2.473 -7.518 207 HA ASP 32 HA ASP 32 -7.922 -2.780 -8.782 208 1HB ASP 32 HB2 ASP 32 -9.620 -1.307 -9.727 209 2HB ASP 32 HB1 ASP 32 -9.573 -0.296 -8.287 210 H VAL 33 HN VAL 33 -8.932 -1.571 -5.755 211 HA VAL 33 HA VAL 33 -6.611 -0.109 -5.131 212 HB VAL 33 HB VAL 33 -8.597 -1.443 -3.316 213 1HG1 VAL 33 HG21 VAL 33 -6.189 -0.484 -2.574 214 2HG1 VAL 33 HG22 VAL 33 -7.633 -0.407 -1.553 215 3HG1 VAL 33 HG23 VAL 33 -7.153 1.001 -2.499 216 1HG2 VAL 33 HG11 VAL 33 -8.665 1.462 -3.841 217 2HG2 VAL 33 HG12 VAL 33 -9.983 0.324 -3.566 218 3HG2 VAL 33 HG13 VAL 33 -9.196 0.398 -5.147 219 H GLY 34 HN GLY 34 -7.724 -3.386 -4.389 220 1HA GLY 34 HA2 GLY 34 -5.421 -4.151 -2.920 221 2HA GLY 34 HA1 GLY 34 -6.607 -5.238 -3.614 222 H GLN 35 HN GLN 35 -6.213 -4.120 -6.314 223 HA GLN 35 HA GLN 35 -4.178 -5.894 -7.143 224 1HB GLN 35 HB1 GLN 35 -4.866 -5.448 -9.285 225 2HB GLN 35 HB2 GLN 35 -6.281 -4.882 -8.407 226 1HG GLN 35 HG1 GLN 35 -5.518 -2.603 -8.563 227 2HG GLN 35 HG2 GLN 35 -4.041 -3.125 -9.369 228 1HE2 GLN 35 HE22 GLN 35 -4.086 -2.718 -11.447 229 2HE2 GLN 35 HE21 GLN 35 -5.463 -2.829 -12.484 230 H ARG 36 HN ARG 36 -4.335 -2.475 -6.581 231 HA ARG 36 HA ARG 36 -1.720 -1.923 -7.529 232 1HB ARG 36 HB2 ARG 36 -3.520 -0.283 -5.737 233 2HB ARG 36 HB1 ARG 36 -2.068 0.291 -6.548 234 1HG ARG 36 HG2 ARG 36 -4.477 -0.745 -8.001 235 2HG ARG 36 HG1 ARG 36 -4.179 0.962 -7.653 236 1HD ARG 36 HD2 ARG 36 -2.121 0.887 -8.885 237 2HD ARG 36 HD1 ARG 36 -2.298 -0.837 -9.149 238 HE ARG 36 HE ARG 36 -4.554 0.452 -10.192 239 1HH1 ARG 36 HH11 ARG 36 -1.132 0.194 -10.804 240 2HH1 ARG 36 HH12 ARG 36 -1.285 0.475 -12.506 241 1HH2 ARG 36 HH21 ARG 36 -4.763 0.823 -12.432 242 2HH2 ARG 36 HH22 ARG 36 -3.348 0.833 -13.431 243 H LEU 37 HN LEU 37 -3.334 -2.380 -4.455 244 HA LEU 37 HA LEU 37 -1.326 -1.929 -2.671 245 1HB LEU 37 HB2 LEU 37 -3.843 -3.415 -2.830 246 2HB LEU 37 HB1 LEU 37 -2.783 -3.840 -1.557 247 HG LEU 37 HG LEU 37 -3.703 -1.145 -2.078 248 1HD1 LEU 37 HD21 LEU 37 -4.577 -2.053 0.440 249 2HD1 LEU 37 HD22 LEU 37 -5.015 -3.272 -0.755 250 3HD1 LEU 37 HD23 LEU 37 -5.563 -1.607 -0.953 251 1HD2 LEU 37 HD11 LEU 37 -2.760 -0.758 0.243 252 2HD2 LEU 37 HD12 LEU 37 -1.596 -1.008 -1.061 253 3HD2 LEU 37 HD13 LEU 37 -1.977 -2.330 0.045 254 H GLU 38 HN GLU 38 -2.255 -4.893 -4.334 255 HA GLU 38 HA GLU 38 -0.322 -6.511 -3.090 256 1HB GLU 38 HB2 GLU 38 -2.482 -7.171 -4.329 257 2HB GLU 38 HB1 GLU 38 -1.510 -7.076 -5.783 258 1HG GLU 38 HG2 GLU 38 0.038 -8.734 -4.820 259 2HG GLU 38 HG1 GLU 38 -1.023 -8.874 -3.420 260 H SER 39 HN SER 39 -0.573 -5.060 -6.230 261 HA SER 39 HA SER 39 1.844 -5.814 -7.352 262 1HB SER 39 HB1 SER 39 0.281 -3.243 -7.636 263 2HB SER 39 HB2 SER 39 1.722 -3.587 -8.590 264 HG SER 39 HG SER 39 0.635 -5.002 -9.735 265 H LEU 40 HN LEU 40 1.130 -3.206 -5.101 266 HA LEU 40 HA LEU 40 3.512 -1.875 -5.025 267 1HB LEU 40 HB1 LEU 40 1.440 -2.472 -2.953 268 2HB LEU 40 HB2 LEU 40 2.850 -1.525 -2.574 269 HG LEU 40 HG LEU 40 0.627 -0.853 -4.475 270 1HD1 LEU 40 HD11 LEU 40 1.600 1.110 -2.534 271 2HD1 LEU 40 HD12 LEU 40 0.897 -0.347 -1.827 272 3HD1 LEU 40 HD13 LEU 40 -0.048 0.633 -2.948 273 1HD2 LEU 40 HD21 LEU 40 2.570 1.227 -4.289 274 2HD2 LEU 40 HD22 LEU 40 1.940 0.409 -5.718 275 3HD2 LEU 40 HD23 LEU 40 3.335 -0.253 -4.867 276 H LEU 41 HN LEU 41 2.454 -4.597 -3.026 277 HA LEU 41 HA LEU 41 4.965 -4.898 -1.755 278 1HB LEU 41 HB2 LEU 41 2.429 -6.269 -1.813 279 2HB LEU 41 HB1 LEU 41 3.792 -7.249 -1.381 280 HG LEU 41 HG LEU 41 2.900 -4.724 -0.002 281 1HD1 LEU 41 HD21 LEU 41 2.958 -7.588 0.920 282 2HD1 LEU 41 HD22 LEU 41 1.510 -6.709 0.422 283 3HD1 LEU 41 HD23 LEU 41 2.403 -6.201 1.856 284 1HD2 LEU 41 HD11 LEU 41 5.472 -5.612 -0.181 285 2HD2 LEU 41 HD12 LEU 41 4.900 -6.409 1.293 286 3HD2 LEU 41 HD13 LEU 41 4.813 -4.653 1.148 287 H ARG 42 HN ARG 42 3.312 -6.963 -4.139 288 HA ARG 42 HA ARG 42 5.250 -8.860 -4.388 289 1HB ARG 42 HB1 ARG 42 3.110 -8.995 -5.597 290 2HB ARG 42 HB2 ARG 42 3.592 -7.662 -6.633 291 1HG ARG 42 HG2 ARG 42 3.847 -9.708 -7.840 292 2HG ARG 42 HG1 ARG 42 5.450 -9.061 -7.487 293 1HD ARG 42 HD2 ARG 42 5.377 -11.467 -7.110 294 2HD ARG 42 HD1 ARG 42 5.662 -10.599 -5.604 295 HE ARG 42 HE ARG 42 3.781 -11.585 -4.806 296 1HH1 ARG 42 HH11 ARG 42 3.468 -11.333 -8.271 297 2HH1 ARG 42 HH12 ARG 42 1.912 -12.091 -8.312 298 1HH2 ARG 42 HH21 ARG 42 1.733 -12.584 -4.856 299 2HH2 ARG 42 HH22 ARG 42 0.926 -12.801 -6.373 300 H ARG 43 HN ARG 43 5.294 -5.591 -5.392 301 HA ARG 43 HA ARG 43 7.712 -5.919 -6.928 302 1HB ARG 43 HB2 ARG 43 6.096 -3.446 -6.312 303 2HB ARG 43 HB1 ARG 43 7.543 -3.466 -7.309 304 1HG ARG 43 HG2 ARG 43 4.954 -4.885 -7.897 305 2HG ARG 43 HG1 ARG 43 5.560 -3.430 -8.691 306 1HD ARG 43 HD2 ARG 43 6.856 -6.151 -8.743 307 2HD ARG 43 HD1 ARG 43 5.949 -5.410 -10.060 308 HE ARG 43 HE ARG 43 8.022 -3.678 -9.336 309 1HH1 ARG 43 HH11 ARG 43 7.574 -6.816 -10.783 310 2HH1 ARG 43 HH12 ARG 43 9.022 -6.730 -11.729 311 1HH2 ARG 43 HH21 ARG 43 9.931 -3.555 -10.579 312 2HH2 ARG 43 HH22 ARG 43 10.362 -4.877 -11.613 313 H TRP 44 HN TRP 44 6.528 -4.717 -3.879 314 HA TRP 44 HA TRP 44 8.916 -3.487 -3.004 315 1HB TRP 44 HB2 TRP 44 6.741 -2.915 -2.046 316 2HB TRP 44 HB1 TRP 44 6.565 -4.571 -1.467 317 HD1 TRP 44 HD1 TRP 44 7.045 -4.799 0.926 318 HE1 TRP 44 HE1 TRP 44 8.602 -3.689 2.670 319 HE3 TRP 44 HE3 TRP 44 9.434 -1.460 -2.129 320 HZ2 TRP 44 HZ2 TRP 44 10.606 -1.710 2.700 321 HZ3 TRP 44 HZ3 TRP 44 11.154 -0.010 -1.121 322 HH2 TRP 44 HH2 TRP 44 11.705 -0.118 1.206 323 H ASN 45 HN ASN 45 7.335 -6.530 -2.015 324 HA ASN 45 HA ASN 45 9.381 -7.517 -0.445 325 1HB ASN 45 HB1 ASN 45 7.190 -8.820 -2.010 326 2HB ASN 45 HB2 ASN 45 8.296 -9.770 -1.037 327 1HD2 ASN 45 HD21 ASN 45 5.437 -8.156 -1.116 328 2HD2 ASN 45 HD22 ASN 45 5.165 -7.998 0.571 329 H SER 46 HN SER 46 8.947 -7.695 -3.873 330 HA SER 46 HA SER 46 10.908 -9.641 -4.435 331 1HB SER 46 HB2 SER 46 9.196 -9.012 -6.062 332 2HB SER 46 HB1 SER 46 9.887 -7.393 -6.173 333 HG SER 46 HG SER 46 10.898 -9.833 -7.126 334 H ARG 47 HN ARG 47 11.044 -6.095 -4.427 335 HA ARG 47 HA ARG 47 13.691 -5.819 -5.269 336 1HB ARG 47 HB1 ARG 47 12.037 -4.063 -3.460 337 2HB ARG 47 HB2 ARG 47 13.583 -3.592 -4.154 338 1HG ARG 47 HG2 ARG 47 12.717 -3.609 -6.346 339 2HG ARG 47 HG1 ARG 47 11.250 -4.447 -5.838 340 1HD ARG 47 HD2 ARG 47 10.583 -2.513 -4.537 341 2HD ARG 47 HD1 ARG 47 12.057 -1.676 -4.999 342 HE ARG 47 HE ARG 47 10.696 -2.434 -7.325 343 1HH1 ARG 47 HH11 ARG 47 10.359 -0.245 -4.636 344 2HH1 ARG 47 HH12 ARG 47 9.431 0.913 -5.528 345 1HH2 ARG 47 HH21 ARG 47 9.474 -0.915 -8.509 346 2HH2 ARG 47 HH22 ARG 47 8.927 0.533 -7.730 347 H ARG 48 HN ARG 48 12.317 -6.429 -2.110 348 HA ARG 48 HA ARG 48 14.553 -5.970 -0.507 349 1HB ARG 48 HB2 ARG 48 12.344 -8.012 -0.250 350 2HB ARG 48 HB1 ARG 48 13.512 -7.676 1.011 351 1HG ARG 48 HG2 ARG 48 12.722 -5.356 1.113 352 2HG ARG 48 HG1 ARG 48 11.538 -5.718 -0.144 353 1HD ARG 48 HD1 ARG 48 10.498 -5.794 2.045 354 2HD ARG 48 HD2 ARG 48 10.515 -7.396 1.310 355 HE ARG 48 HE ARG 48 11.678 -8.098 3.126 356 1HH1 ARG 48 HH11 ARG 48 12.355 -4.708 2.670 357 2HH1 ARG 48 HH12 ARG 48 13.401 -4.601 4.046 358 1HH2 ARG 48 HH21 ARG 48 13.054 -7.963 4.938 359 2HH2 ARG 48 HH22 ARG 48 13.798 -6.450 5.334 360 H ALA 49 HN ALA 49 13.432 -8.958 -2.006 361 HA ALA 49 HA ALA 49 15.578 -10.589 -1.301 362 1HB ALA 49 HB1 ALA 49 13.824 -11.830 -2.078 363 2HB ALA 49 HB2 ALA 49 14.828 -11.798 -3.528 364 3HB ALA 49 HB3 ALA 49 13.460 -10.693 -3.378 365 H ASP 50 HN ASP 50 15.156 -8.367 -3.925 366 HA ASP 50 HA ASP 50 17.391 -9.166 -5.471 367 1HB ASP 50 HB2 ASP 50 15.575 -7.825 -6.420 368 2HB ASP 50 HB1 ASP 50 15.988 -6.489 -5.353 369 H ALA 51 HN ALA 51 19.057 -9.423 -3.885 370 HA ALA 51 HA ALA 51 20.728 -7.135 -3.642 371 1HB ALA 51 HB1 ALA 51 20.503 -7.900 -0.925 372 2HB ALA 51 HB2 ALA 51 18.878 -7.567 -1.526 373 3HB ALA 51 HB3 ALA 51 20.137 -6.339 -1.659 374 HA PRO 52 HA PRO 52 23.618 -10.502 -3.726 375 1HB PRO 52 HB2 PRO 52 25.853 -9.082 -3.026 376 2HB PRO 52 HB1 PRO 52 25.158 -9.087 -4.651 377 1HG PRO 52 HG2 PRO 52 24.848 -7.071 -2.461 378 2HG PRO 52 HG1 PRO 52 25.092 -6.810 -4.199 379 1HD PRO 52 HD2 PRO 52 22.668 -6.582 -3.051 380 2HD PRO 52 HD1 PRO 52 22.868 -7.212 -4.696 381 H SER 53 HN SER 53 24.277 -11.981 -2.282 382 HA SER 53 HA SER 53 23.642 -11.776 0.432 383 1HB SER 53 HB1 SER 53 24.967 -13.872 0.691 384 2HB SER 53 HB2 SER 53 23.826 -13.940 -0.651 385 HG SER 53 HG SER 53 25.454 -14.316 -1.896 386 H THR 54 HN THR 54 24.779 -11.286 2.245 387 HA THR 54 HA THR 54 26.838 -9.426 2.133 388 HB THR 54 HB THR 54 25.456 -9.640 4.112 389 HG1 THR 54 HG1 THR 54 28.048 -10.369 4.979 390 1HG2 THR 54 HG21 THR 54 25.625 -12.295 3.856 391 2HG2 THR 54 HG22 THR 54 25.221 -11.514 5.384 392 3HG2 THR 54 HG23 THR 54 26.870 -12.058 5.083 393 H SER 55 HN SER 55 29.016 -9.503 2.172 394 HA SER 55 HA SER 55 30.358 -11.796 1.264 395 1HB SER 55 HB1 SER 55 32.428 -10.512 1.685 396 2HB SER 55 HB2 SER 55 31.211 -9.538 0.858 397 HG SER 55 HG SER 55 32.229 -9.310 3.432 398 H ALA 56 HN ALA 56 31.538 -13.356 2.265 399 HA ALA 56 HA ALA 56 32.367 -13.249 4.976 400 1HB ALA 56 HB1 ALA 56 30.883 -14.810 5.998 401 2HB ALA 56 HB2 ALA 56 30.063 -15.122 4.468 402 3HB ALA 56 HB3 ALA 56 29.895 -13.553 5.253 403 H ILE 57 HN ILE 57 31.372 -15.415 2.345 404 HA ILE 57 HA ILE 57 33.937 -16.508 1.990 405 HB ILE 57 HB ILE 57 33.547 -17.626 4.115 406 1HG1 ILE 57 HG12 ILE 57 33.831 -19.974 3.366 407 2HG1 ILE 57 HG11 ILE 57 33.323 -19.501 1.748 408 1HG2 ILE 57 HG21 ILE 57 31.085 -17.580 4.023 409 2HG2 ILE 57 HG22 ILE 57 31.723 -19.167 4.456 410 3HG2 ILE 57 HG23 ILE 57 31.127 -18.870 2.822 411 1HD1 ILE 57 HD11 ILE 57 35.413 -19.005 1.248 412 2HD1 ILE 57 HD12 ILE 57 35.915 -19.446 2.880 413 3HD1 ILE 57 HD13 ILE 57 35.435 -17.787 2.522 414 H SER 58 HN SER 58 34.053 -17.483 0.040 415 HA SER 58 HA SER 58 31.822 -17.414 -1.689 416 1HB SER 58 HB1 SER 58 34.486 -18.810 -2.039 417 2HB SER 58 HB2 SER 58 33.317 -18.512 -3.323 418 HG SER 58 HG SER 58 35.193 -16.944 -2.815 419 H GLU 59 HN GLU 59 33.615 -20.181 -0.324 420 HA GLU 59 HA GLU 59 31.833 -22.124 -1.364 421 1HB GLU 59 HB2 GLU 59 32.991 -23.697 0.130 422 2HB GLU 59 HB1 GLU 59 34.116 -22.712 -0.797 423 1HG GLU 59 HG1 GLU 59 34.445 -21.270 1.137 424 2HG GLU 59 HG2 GLU 59 33.319 -22.258 2.064 425 H ASP 60 HN ASP 60 30.056 -23.074 -0.520 426 HA ASP 60 HA ASP 60 29.319 -22.993 2.208 427 1HB ASP 60 HB1 ASP 60 28.906 -20.612 1.683 428 2HB ASP 60 HB2 ASP 60 27.799 -21.096 0.403 429 1H GLY 1 HT1 GLY 1 1.634 15.569 10.548 430 2H GLY 1 HT2 GLY 1 1.634 16.946 9.566 431 3H GLY 1 HT3 GLY 1 1.032 15.482 8.970 432 1HA GLY 1 HA2 GLY 1 -0.774 15.532 10.576 433 2HA GLY 1 HA1 GLY 1 -0.148 17.051 11.197 434 H SER 2 HN SER 2 -1.667 18.503 10.673 435 HA SER 2 HA SER 2 -3.043 19.827 9.439 436 1HB SER 2 HB2 SER 2 -0.947 20.381 8.281 437 2HB SER 2 HB1 SER 2 -1.184 19.017 7.189 438 HG SER 2 HG SER 2 -2.739 20.077 6.167 439 H ALA 3 HN ALA 3 -4.078 17.352 9.899 440 HA ALA 3 HA ALA 3 -5.692 15.895 9.235 441 1HB ALA 3 HB1 ALA 3 -7.383 16.711 7.813 442 2HB ALA 3 HB2 ALA 3 -6.265 17.774 6.960 443 3HB ALA 3 HB3 ALA 3 -6.727 18.132 8.624 444 H ALA 4 HN ALA 4 -6.442 15.896 6.209 445 HA ALA 4 HA ALA 4 -4.192 14.946 4.794 446 1HB ALA 4 HB1 ALA 4 -4.556 12.579 4.795 447 2HB ALA 4 HB2 ALA 4 -6.008 12.752 5.781 448 3HB ALA 4 HB3 ALA 4 -4.426 13.113 6.471 449 H SER 5 HN SER 5 -6.051 12.750 3.629 450 HA SER 5 HA SER 5 -8.303 14.048 2.528 451 1HB SER 5 HB1 SER 5 -7.510 14.310 0.202 452 2HB SER 5 HB2 SER 5 -6.638 15.364 1.311 453 HG SER 5 HG SER 5 -5.432 12.948 1.061 454 HA PRO 6 HA PRO 6 -7.693 9.330 2.219 455 1HB PRO 6 HB2 PRO 6 -10.060 8.825 3.565 456 2HB PRO 6 HB1 PRO 6 -8.453 8.804 4.296 457 1HG PRO 6 HG2 PRO 6 -10.511 10.969 4.300 458 2HG PRO 6 HG1 PRO 6 -9.432 10.445 5.604 459 1HD PRO 6 HD1 PRO 6 -8.932 12.665 4.192 460 2HD PRO 6 HD2 PRO 6 -7.618 11.605 4.737 461 H ALA 7 HN ALA 7 -8.898 7.951 0.905 462 HA ALA 7 HA ALA 7 -10.280 7.355 -0.794 463 1HB ALA 7 HB1 ALA 7 -11.941 8.786 1.006 464 2HB ALA 7 HB2 ALA 7 -12.397 7.546 -0.162 465 3HB ALA 7 HB3 ALA 7 -12.394 9.244 -0.636 466 H VAL 8 HN VAL 8 -8.210 9.277 -1.192 467 HA VAL 8 HA VAL 8 -9.213 11.280 -3.014 468 HB VAL 8 HB VAL 8 -7.196 11.623 -1.563 469 1HG1 VAL 8 HG11 VAL 8 -5.528 10.184 -1.544 470 2HG1 VAL 8 HG12 VAL 8 -5.227 10.483 -3.257 471 3HG1 VAL 8 HG13 VAL 8 -6.352 9.214 -2.767 472 1HG2 VAL 8 HG21 VAL 8 -7.144 12.036 -4.523 473 2HG2 VAL 8 HG22 VAL 8 -5.767 12.537 -3.541 474 3HG2 VAL 8 HG23 VAL 8 -7.366 13.215 -3.230 475 H ASP 9 HN ASP 9 -10.206 9.035 -3.909 476 HA ASP 9 HA ASP 9 -10.528 7.988 -5.920 477 1HB ASP 9 HB2 ASP 9 -9.208 9.776 -7.042 478 2HB ASP 9 HB1 ASP 9 -7.734 8.893 -6.665 479 H ILE 10 HN ILE 10 -8.110 7.532 -3.656 480 HA ILE 10 HA ILE 10 -7.168 5.689 -2.712 481 HB ILE 10 HB ILE 10 -9.468 4.665 -3.565 482 1HG1 ILE 10 HG12 ILE 10 -8.730 2.511 -2.524 483 2HG1 ILE 10 HG11 ILE 10 -7.080 3.122 -2.539 484 1HG2 ILE 10 HG21 ILE 10 -7.818 2.597 -4.819 485 2HG2 ILE 10 HG22 ILE 10 -7.970 4.083 -5.755 486 3HG2 ILE 10 HG23 ILE 10 -9.416 3.201 -5.260 487 1HD1 ILE 10 HD11 ILE 10 -9.418 4.088 -0.935 488 2HD1 ILE 10 HD12 ILE 10 -7.978 5.081 -1.179 489 3HD1 ILE 10 HD13 ILE 10 -7.844 3.518 -0.374 490 H GLY 11 HN GLY 11 -7.227 5.726 -6.251 491 1HA GLY 11 HA2 GLY 11 -4.909 4.134 -6.614 492 2HA GLY 11 HA1 GLY 11 -5.600 5.239 -7.797 493 H ASP 12 HN ASP 12 -5.460 7.543 -6.048 494 HA ASP 12 HA ASP 12 -2.877 8.474 -6.706 495 1HB ASP 12 HB2 ASP 12 -4.854 9.948 -6.448 496 2HB ASP 12 HB1 ASP 12 -4.853 9.621 -4.717 497 H ARG 13 HN ARG 13 -4.347 7.411 -3.662 498 HA ARG 13 HA ARG 13 -2.186 7.902 -1.947 499 1HB ARG 13 HB2 ARG 13 -4.122 5.586 -1.765 500 2HB ARG 13 HB1 ARG 13 -3.228 6.322 -0.444 501 1HG ARG 13 HG2 ARG 13 -5.150 7.959 -2.029 502 2HG ARG 13 HG1 ARG 13 -5.739 6.861 -0.781 503 1HD ARG 13 HD2 ARG 13 -5.458 9.061 0.154 504 2HD ARG 13 HD1 ARG 13 -4.263 7.970 0.851 505 HE ARG 13 HE ARG 13 -3.060 9.216 -1.315 506 1HH1 ARG 13 HH11 ARG 13 -4.440 10.111 1.754 507 2HH1 ARG 13 HH12 ARG 13 -3.393 11.472 1.977 508 1HH2 ARG 13 HH21 ARG 13 -1.673 11.009 -1.032 509 2HH2 ARG 13 HH22 ARG 13 -1.820 11.983 0.392 510 H LEU 14 HN LEU 14 -3.104 5.026 -3.773 511 HA LEU 14 HA LEU 14 -0.969 3.367 -3.011 512 1HB LEU 14 HB2 LEU 14 -2.771 3.401 -5.424 513 2HB LEU 14 HB1 LEU 14 -1.577 2.146 -5.157 514 HG LEU 14 HG LEU 14 -3.518 2.684 -2.966 515 1HD1 LEU 14 HD11 LEU 14 -4.222 1.668 -5.664 516 2HD1 LEU 14 HD12 LEU 14 -5.198 2.561 -4.497 517 3HD1 LEU 14 HD13 LEU 14 -4.908 0.837 -4.267 518 1HD2 LEU 14 HD21 LEU 14 -3.320 0.246 -2.723 519 2HD2 LEU 14 HD22 LEU 14 -1.749 1.046 -2.672 520 3HD2 LEU 14 HD23 LEU 14 -2.263 0.204 -4.134 521 H ASP 15 HN ASP 15 -1.400 5.504 -5.804 522 HA ASP 15 HA ASP 15 0.933 4.859 -7.181 523 1HB ASP 15 HB2 ASP 15 -0.913 6.244 -8.098 524 2HB ASP 15 HB1 ASP 15 -0.421 7.563 -7.043 525 H GLU 16 HN GLU 16 0.359 7.352 -4.720 526 HA GLU 16 HA GLU 16 2.975 8.390 -4.711 527 1HB GLU 16 HB1 GLU 16 0.916 8.358 -2.499 528 2HB GLU 16 HB2 GLU 16 2.369 9.345 -2.511 529 1HG GLU 16 HG1 GLU 16 1.565 10.486 -4.525 530 2HG GLU 16 HG2 GLU 16 0.097 9.513 -4.479 531 H LEU 17 HN LEU 17 1.442 5.776 -2.895 532 HA LEU 17 HA LEU 17 3.569 5.268 -1.114 533 1HB LEU 17 HB1 LEU 17 1.267 4.382 -0.852 534 2HB LEU 17 HB2 LEU 17 1.555 3.304 -2.200 535 HG LEU 17 HG LEU 17 3.148 2.032 -0.976 536 1HD1 LEU 17 HD11 LEU 17 2.991 3.532 1.543 537 2HD1 LEU 17 HD12 LEU 17 3.857 4.353 0.243 538 3HD1 LEU 17 HD13 LEU 17 4.369 2.749 0.768 539 1HD2 LEU 17 HD21 LEU 17 1.109 1.224 -0.314 540 2HD2 LEU 17 HD22 LEU 17 0.638 2.736 0.468 541 3HD2 LEU 17 HD23 LEU 17 1.809 1.664 1.244 542 H GLU 18 HN GLU 18 2.778 3.962 -4.317 543 HA GLU 18 HA GLU 18 4.868 2.072 -4.453 544 1HB GLU 18 HB2 GLU 18 2.803 2.255 -5.953 545 2HB GLU 18 HB1 GLU 18 3.681 3.503 -6.828 546 1HG GLU 18 HG2 GLU 18 5.486 1.863 -7.247 547 2HG GLU 18 HG1 GLU 18 4.496 0.630 -6.481 548 H LYS 19 HN LYS 19 4.578 5.292 -5.932 549 HA LYS 19 HA LYS 19 7.121 5.489 -7.014 550 1HB LYS 19 HB2 LYS 19 5.458 7.706 -5.794 551 2HB LYS 19 HB1 LYS 19 6.796 7.927 -6.912 552 1HG LYS 19 HG2 LYS 19 4.285 6.410 -7.579 553 2HG LYS 19 HG1 LYS 19 4.539 8.117 -7.941 554 1HD LYS 19 HD1 LYS 19 6.300 5.874 -8.922 555 2HD LYS 19 HD2 LYS 19 5.009 6.624 -9.862 556 1HE LYS 19 HE1 LYS 19 7.452 8.012 -8.769 557 2HE LYS 19 HE2 LYS 19 7.174 7.571 -10.453 558 1HZ LYS 19 HZ1 LYS 19 6.264 9.568 -10.678 559 2HZ LYS 19 HZ2 LYS 19 6.257 9.850 -9.011 560 3HZ LYS 19 HZ3 LYS 19 4.968 9.027 -9.733 561 H ALA 20 HN ALA 20 5.959 6.014 -3.770 562 HA ALA 20 HA ALA 20 8.297 7.191 -2.710 563 1HB ALA 20 HB1 ALA 20 6.353 5.579 -1.101 564 2HB ALA 20 HB2 ALA 20 5.929 7.166 -1.744 565 3HB ALA 20 HB3 ALA 20 7.280 7.000 -0.622 566 H LEU 21 HN LEU 21 7.095 3.821 -2.664 567 HA LEU 21 HA LEU 21 9.215 2.738 -1.198 568 1HB LEU 21 HB1 LEU 21 7.708 1.371 -3.416 569 2HB LEU 21 HB2 LEU 21 8.668 0.580 -2.183 570 HG LEU 21 HG LEU 21 5.897 1.491 -2.112 571 1HD1 LEU 21 HD21 LEU 21 6.333 -0.797 -1.849 572 2HD1 LEU 21 HD22 LEU 21 5.912 -0.211 -0.240 573 3HD1 LEU 21 HD23 LEU 21 7.599 -0.497 -0.661 574 1HD2 LEU 21 HD11 LEU 21 7.035 3.205 -0.662 575 2HD2 LEU 21 HD12 LEU 21 7.519 1.870 0.383 576 3HD2 LEU 21 HD13 LEU 21 5.809 2.220 0.133 577 H GLU 22 HN GLU 22 8.885 3.410 -4.647 578 HA GLU 22 HA GLU 22 11.044 2.095 -5.696 579 1HB GLU 22 HB1 GLU 22 10.153 4.915 -6.340 580 2HB GLU 22 HB2 GLU 22 11.220 3.944 -7.343 581 1HG GLU 22 HG1 GLU 22 9.414 2.291 -7.616 582 2HG GLU 22 HG2 GLU 22 8.350 3.333 -6.675 583 H ALA 23 HN ALA 23 10.980 4.961 -3.708 584 HA ALA 23 HA ALA 23 13.772 5.553 -3.973 585 1HB ALA 23 HB1 ALA 23 11.467 6.685 -2.581 586 2HB ALA 23 HB2 ALA 23 12.873 7.485 -3.284 587 3HB ALA 23 HB3 ALA 23 12.970 6.794 -1.664 588 H LEU 24 HN LEU 24 11.735 4.006 -1.499 589 HA LEU 24 HA LEU 24 14.062 3.279 0.098 590 1HB LEU 24 HB2 LEU 24 11.157 2.552 0.503 591 2HB LEU 24 HB1 LEU 24 12.449 2.287 1.648 592 HG LEU 24 HG LEU 24 11.119 4.147 2.363 593 1HD1 LEU 24 HD21 LEU 24 13.325 4.464 3.003 594 2HD1 LEU 24 HD22 LEU 24 12.887 5.990 2.238 595 3HD1 LEU 24 HD23 LEU 24 13.857 4.809 1.358 596 1HD2 LEU 24 HD11 LEU 24 10.430 4.626 -0.074 597 2HD2 LEU 24 HD12 LEU 24 11.833 5.694 -0.081 598 3HD2 LEU 24 HD13 LEU 24 10.528 5.959 1.077 599 H SER 25 HN SER 25 13.080 2.099 -2.669 600 HA SER 25 HA SER 25 12.314 -0.507 -2.424 601 1HB SER 25 HB1 SER 25 13.314 -0.924 -4.597 602 2HB SER 25 HB2 SER 25 12.552 0.663 -4.571 603 HG SER 25 HG SER 25 14.432 1.261 -5.315 604 H ALA 26 HN ALA 26 13.233 -1.306 -0.511 605 HA ALA 26 HA ALA 26 14.705 -2.466 0.769 606 1HB ALA 26 HB1 ALA 26 14.335 -3.831 -1.441 607 2HB ALA 26 HB2 ALA 26 15.530 -4.348 -0.249 608 3HB ALA 26 HB3 ALA 26 16.045 -3.475 -1.693 609 H GLU 27 HN GLU 27 15.489 0.169 0.374 610 HA GLU 27 HA GLU 27 18.175 0.440 -0.479 611 1HB GLU 27 HB1 GLU 27 16.437 2.162 1.283 612 2HB GLU 27 HB2 GLU 27 18.060 2.619 0.787 613 1HG GLU 27 HG1 GLU 27 15.813 2.006 -1.114 614 2HG GLU 27 HG2 GLU 27 16.257 3.626 -0.577 615 H ASP 28 HN ASP 28 16.713 -0.144 2.688 616 HA ASP 28 HA ASP 28 19.231 -1.157 3.672 617 1HB ASP 28 HB1 ASP 28 19.337 1.348 4.002 618 2HB ASP 28 HB2 ASP 28 17.984 1.188 5.114 619 H GLY 29 HN GLY 29 17.274 -2.787 3.396 620 1HA GLY 29 HA1 GLY 29 15.875 -4.262 4.463 621 2HA GLY 29 HA2 GLY 29 16.637 -3.730 5.955 622 H HIS 30 HN HIS 30 14.560 -2.093 3.586 623 HA HIS 30 HA HIS 30 13.081 -0.766 5.635 624 1HB HIS 30 HB2 HIS 30 12.898 -0.903 2.645 625 2HB HIS 30 HB1 HIS 30 11.632 -0.107 3.567 626 HD1 HIS 30 HD1 HIS 30 13.006 1.586 5.527 627 HD2 HIS 30 HD2 HIS 30 14.573 0.980 1.726 628 HE1 HIS 30 HE1 HIS 30 14.560 3.521 5.129 629 HE2 HIS 30 HE2 HIS 30 15.572 3.084 2.862 630 H ASP 31 HN ASP 31 12.918 -3.551 6.008 631 HA ASP 31 HA ASP 31 10.706 -4.851 5.000 632 1HB ASP 31 HB1 ASP 31 12.383 -5.896 6.489 633 2HB ASP 31 HB2 ASP 31 11.732 -4.983 7.844 634 H ASP 32 HN ASP 32 10.893 -2.279 7.339 635 HA ASP 32 HA ASP 32 8.420 -2.448 8.577 636 1HB ASP 32 HB1 ASP 32 10.195 -0.829 9.192 637 2HB ASP 32 HB2 ASP 32 9.849 0.082 7.728 638 H VAL 33 HN VAL 33 9.278 -1.050 5.437 639 HA VAL 33 HA VAL 33 6.733 0.024 4.860 640 HB VAL 33 HB VAL 33 8.645 -0.986 2.765 641 1HG1 VAL 33 HG21 VAL 33 6.177 0.047 2.488 642 2HG1 VAL 33 HG22 VAL 33 7.464 0.247 1.300 643 3HG1 VAL 33 HG23 VAL 33 7.138 1.527 2.469 644 1HG2 VAL 33 HG11 VAL 33 8.872 1.832 3.440 645 2HG2 VAL 33 HG12 VAL 33 10.133 0.621 3.208 646 3HG2 VAL 33 HG13 VAL 33 9.341 0.779 4.775 647 H GLY 34 HN GLY 34 8.145 -3.144 4.516 648 1HA GLY 34 HA1 GLY 34 6.132 -4.263 2.849 649 2HA GLY 34 HA2 GLY 34 7.290 -5.156 3.817 650 H GLN 35 HN GLN 35 6.613 -4.275 6.379 651 HA GLN 35 HA GLN 35 4.423 -5.954 6.947 652 1HB GLN 35 HB2 GLN 35 4.647 -5.261 9.237 653 2HB GLN 35 HB1 GLN 35 6.256 -5.434 8.554 654 1HG GLN 35 HG1 GLN 35 6.392 -3.012 8.271 655 2HG GLN 35 HG2 GLN 35 4.782 -2.844 8.969 656 1HE2 GLN 35 HE22 GLN 35 4.756 -2.315 11.022 657 2HE2 GLN 35 HE21 GLN 35 5.977 -2.680 12.190 658 H ARG 36 HN ARG 36 4.710 -2.455 6.612 659 HA ARG 36 HA ARG 36 2.041 -1.863 7.422 660 1HB ARG 36 HB2 ARG 36 3.939 -0.260 5.693 661 2HB ARG 36 HB1 ARG 36 2.469 0.352 6.436 662 1HG ARG 36 HG2 ARG 36 4.837 -0.713 7.957 663 2HG ARG 36 HG1 ARG 36 4.523 0.995 7.639 664 1HD ARG 36 HD1 ARG 36 2.442 0.872 8.870 665 2HD ARG 36 HD2 ARG 36 2.667 -0.856 9.120 666 HE ARG 36 HE ARG 36 4.897 0.483 10.149 667 1HH1 ARG 36 HH11 ARG 36 1.489 0.130 10.788 668 2HH1 ARG 36 HH12 ARG 36 1.651 0.400 12.492 669 1HH2 ARG 36 HH21 ARG 36 5.118 0.838 12.389 670 2HH2 ARG 36 HH22 ARG 36 3.714 0.802 13.402 671 H LEU 37 HN LEU 37 3.647 -2.127 4.284 672 HA LEU 37 HA LEU 37 1.430 -1.631 2.650 673 1HB LEU 37 HB1 LEU 37 3.888 -1.698 2.031 674 2HB LEU 37 HB2 LEU 37 3.751 -3.441 2.002 675 HG LEU 37 HG LEU 37 2.209 -3.338 0.138 676 1HD1 LEU 37 HD11 LEU 37 2.421 -0.555 -0.527 677 2HD1 LEU 37 HD12 LEU 37 1.673 -0.756 1.057 678 3HD1 LEU 37 HD13 LEU 37 0.979 -1.559 -0.354 679 1HD2 LEU 37 HD21 LEU 37 3.774 -1.956 -1.447 680 2HD2 LEU 37 HD22 LEU 37 4.334 -3.455 -0.702 681 3HD2 LEU 37 HD23 LEU 37 4.807 -1.898 -0.017 682 H GLU 38 HN GLU 38 2.626 -4.561 4.159 683 HA GLU 38 HA GLU 38 0.823 -6.322 2.803 684 1HB GLU 38 HB2 GLU 38 3.117 -6.730 4.158 685 2HB GLU 38 HB1 GLU 38 1.962 -7.110 5.427 686 1HG GLU 38 HG2 GLU 38 0.869 -8.658 3.733 687 2HG GLU 38 HG1 GLU 38 2.325 -8.447 2.773 688 H SER 39 HN SER 39 0.951 -4.814 6.002 689 HA SER 39 HA SER 39 -1.330 -5.986 7.109 690 1HB SER 39 HB1 SER 39 0.355 -4.629 8.369 691 2HB SER 39 HB2 SER 39 -0.315 -3.179 7.626 692 HG SER 39 HG SER 39 -1.247 -4.645 9.720 693 H LEU 40 HN LEU 40 -0.923 -3.149 5.069 694 HA LEU 40 HA LEU 40 -3.478 -2.073 5.190 695 1HB LEU 40 HB1 LEU 40 -1.231 -2.002 3.286 696 2HB LEU 40 HB2 LEU 40 -2.797 -1.646 2.588 697 HG LEU 40 HG LEU 40 -3.103 0.239 4.024 698 1HD1 LEU 40 HD21 LEU 40 -1.615 0.877 5.775 699 2HD1 LEU 40 HD22 LEU 40 -0.506 -0.436 5.382 700 3HD1 LEU 40 HD23 LEU 40 -2.099 -0.797 6.047 701 1HD2 LEU 40 HD11 LEU 40 -1.788 1.549 2.804 702 2HD2 LEU 40 HD12 LEU 40 -1.117 0.067 2.123 703 3HD2 LEU 40 HD13 LEU 40 -0.320 0.849 3.488 704 H LEU 41 HN LEU 41 -2.206 -4.650 3.121 705 HA LEU 41 HA LEU 41 -4.688 -5.031 1.751 706 1HB LEU 41 HB1 LEU 41 -2.030 -6.339 1.742 707 2HB LEU 41 HB2 LEU 41 -3.391 -7.277 1.165 708 HG LEU 41 HG LEU 41 -2.662 -4.557 0.099 709 1HD1 LEU 41 HD21 LEU 41 -2.132 -7.224 -1.185 710 2HD1 LEU 41 HD22 LEU 41 -0.913 -6.284 -0.325 711 3HD1 LEU 41 HD23 LEU 41 -1.670 -5.628 -1.777 712 1HD2 LEU 41 HD11 LEU 41 -5.014 -6.023 -0.082 713 2HD2 LEU 41 HD12 LEU 41 -4.184 -6.316 -1.612 714 3HD2 LEU 41 HD13 LEU 41 -4.528 -4.664 -1.097 715 H ARG 42 HN ARG 42 -2.994 -6.817 4.333 716 HA ARG 42 HA ARG 42 -4.733 -8.959 4.554 717 1HB ARG 42 HB2 ARG 42 -2.643 -8.785 5.840 718 2HB ARG 42 HB1 ARG 42 -3.340 -7.497 6.808 719 1HG ARG 42 HG2 ARG 42 -3.358 -9.641 7.980 720 2HG ARG 42 HG1 ARG 42 -4.990 -9.026 7.711 721 1HD ARG 42 HD1 ARG 42 -4.873 -11.419 7.263 722 2HD ARG 42 HD2 ARG 42 -5.245 -10.517 5.797 723 HE ARG 42 HE ARG 42 -3.372 -11.417 4.884 724 1HH1 ARG 42 HH11 ARG 42 -2.944 -11.330 8.343 725 2HH1 ARG 42 HH12 ARG 42 -1.385 -12.082 8.296 726 1HH2 ARG 42 HH21 ARG 42 -1.323 -12.409 4.817 727 2HH2 ARG 42 HH22 ARG 42 -0.464 -12.695 6.292 728 H ARG 43 HN ARG 43 -5.037 -5.669 5.687 729 HA ARG 43 HA ARG 43 -7.549 -6.173 7.044 730 1HB ARG 43 HB2 ARG 43 -6.127 -3.565 6.464 731 2HB ARG 43 HB1 ARG 43 -7.514 -3.766 7.525 732 1HG ARG 43 HG2 ARG 43 -4.797 -4.997 7.947 733 2HG ARG 43 HG1 ARG 43 -5.422 -3.567 8.773 734 1HD ARG 43 HD2 ARG 43 -6.601 -6.340 8.903 735 2HD ARG 43 HD1 ARG 43 -5.633 -5.570 10.160 736 HE ARG 43 HE ARG 43 -7.808 -3.910 9.583 737 1HH1 ARG 43 HH11 ARG 43 -7.157 -7.034 10.983 738 2HH1 ARG 43 HH12 ARG 43 -8.539 -6.997 12.025 739 1HH2 ARG 43 HH21 ARG 43 -9.629 -3.853 10.952 740 2HH2 ARG 43 HH22 ARG 43 -9.945 -5.189 12.007 741 H TRP 44 HN TRP 44 -6.365 -4.648 4.100 742 HA TRP 44 HA TRP 44 -8.716 -3.479 3.159 743 1HB TRP 44 HB2 TRP 44 -6.561 -3.021 2.150 744 2HB TRP 44 HB1 TRP 44 -6.407 -4.697 1.631 745 HD1 TRP 44 HD1 TRP 44 -6.553 -4.634 -0.919 746 HE1 TRP 44 HE1 TRP 44 -8.171 -3.627 -2.641 747 HE3 TRP 44 HE3 TRP 44 -9.549 -1.939 2.242 748 HZ2 TRP 44 HZ2 TRP 44 -10.390 -1.916 -2.663 749 HZ3 TRP 44 HZ3 TRP 44 -11.394 -0.641 1.257 750 HH2 TRP 44 HH2 TRP 44 -11.809 -0.631 -1.131 751 H ASN 45 HN ASN 45 -7.333 -6.619 2.194 752 HA ASN 45 HA ASN 45 -9.528 -7.493 0.697 753 1HB ASN 45 HB2 ASN 45 -7.405 -9.107 2.124 754 2HB ASN 45 HB1 ASN 45 -8.513 -9.749 0.917 755 1HD2 ASN 45 HD22 ASN 45 -5.480 -8.643 1.375 756 2HD2 ASN 45 HD21 ASN 45 -5.102 -8.132 -0.231 757 H SER 46 HN SER 46 -8.702 -7.974 4.106 758 HA SER 46 HA SER 46 -10.661 -9.825 4.787 759 1HB SER 46 HB2 SER 46 -8.865 -9.170 6.323 760 2HB SER 46 HB1 SER 46 -9.567 -7.559 6.475 761 HG SER 46 HG SER 46 -10.541 -10.021 7.435 762 H ARG 47 HN ARG 47 -10.836 -6.289 4.688 763 HA ARG 47 HA ARG 47 -13.455 -6.026 5.663 764 1HB ARG 47 HB1 ARG 47 -11.891 -4.254 3.777 765 2HB ARG 47 HB2 ARG 47 -13.407 -3.798 4.544 766 1HG ARG 47 HG1 ARG 47 -12.410 -3.893 6.718 767 2HG ARG 47 HG2 ARG 47 -10.921 -4.562 6.055 768 1HD ARG 47 HD1 ARG 47 -10.561 -2.493 4.793 769 2HD ARG 47 HD2 ARG 47 -12.038 -1.824 5.479 770 HE ARG 47 HE ARG 47 -10.428 -2.596 7.603 771 1HH1 ARG 47 HH11 ARG 47 -10.321 -0.322 4.968 772 2HH1 ARG 47 HH12 ARG 47 -9.352 0.827 5.829 773 1HH2 ARG 47 HH21 ARG 47 -9.153 -1.090 8.746 774 2HH2 ARG 47 HH22 ARG 47 -8.689 0.391 7.977 775 H ARG 48 HN ARG 48 -12.191 -6.568 2.418 776 HA ARG 48 HA ARG 48 -14.517 -6.155 0.938 777 1HB ARG 48 HB1 ARG 48 -12.299 -8.155 0.457 778 2HB ARG 48 HB2 ARG 48 -13.506 -7.687 -0.730 779 1HG ARG 48 HG1 ARG 48 -12.679 -5.397 -0.689 780 2HG ARG 48 HG2 ARG 48 -11.483 -5.846 0.527 781 1HD ARG 48 HD2 ARG 48 -10.511 -5.765 -1.723 782 2HD ARG 48 HD1 ARG 48 -10.434 -7.382 -1.030 783 HE ARG 48 HE ARG 48 -11.634 -8.092 -2.821 784 1HH1 ARG 48 HH11 ARG 48 -12.410 -4.736 -2.278 785 2HH1 ARG 48 HH12 ARG 48 -13.499 -4.640 -3.621 786 1HH2 ARG 48 HH21 ARG 48 -13.064 -7.970 -4.589 787 2HH2 ARG 48 HH22 ARG 48 -13.870 -6.476 -4.934 788 H ALA 49 HN ALA 49 -13.295 -9.120 2.462 789 HA ALA 49 HA ALA 49 -15.418 -10.796 1.678 790 1HB ALA 49 HB1 ALA 49 -13.655 -12.042 2.411 791 2HB ALA 49 HB2 ALA 49 -14.618 -12.029 3.888 792 3HB ALA 49 HB3 ALA 49 -13.259 -10.920 3.713 793 H ASP 50 HN ASP 50 -14.923 -8.730 4.488 794 HA ASP 50 HA ASP 50 -17.149 -9.562 5.990 795 1HB ASP 50 HB1 ASP 50 -15.337 -8.233 6.958 796 2HB ASP 50 HB2 ASP 50 -15.766 -6.871 5.930 797 H ALA 51 HN ALA 51 -18.890 -9.779 4.539 798 HA ALA 51 HA ALA 51 -20.556 -7.490 4.332 799 1HB ALA 51 HB1 ALA 51 -20.396 -8.248 1.604 800 2HB ALA 51 HB2 ALA 51 -18.763 -7.895 2.167 801 3HB ALA 51 HB3 ALA 51 -20.033 -6.683 2.333 802 HA PRO 52 HA PRO 52 -23.433 -10.865 4.481 803 1HB PRO 52 HB2 PRO 52 -25.689 -9.455 3.826 804 2HB PRO 52 HB1 PRO 52 -24.959 -9.457 5.436 805 1HG PRO 52 HG2 PRO 52 -24.699 -7.442 3.237 806 2HG PRO 52 HG1 PRO 52 -24.915 -7.179 4.978 807 1HD PRO 52 HD1 PRO 52 -22.512 -6.940 3.795 808 2HD PRO 52 HD2 PRO 52 -22.682 -7.581 5.441 809 H SER 53 HN SER 53 -24.137 -12.345 3.059 810 HA SER 53 HA SER 53 -23.549 -12.173 0.334 811 1HB SER 53 HB2 SER 53 -25.538 -14.014 1.688 812 2HB SER 53 HB1 SER 53 -24.810 -14.264 0.101 813 HG SER 53 HG SER 53 -23.852 -14.941 2.491 814 H THR 54 HN THR 54 -24.723 -11.674 -1.465 815 HA THR 54 HA THR 54 -26.778 -9.802 -1.298 816 HB THR 54 HB THR 54 -25.435 -9.989 -3.306 817 HG1 THR 54 HG1 THR 54 -28.052 -10.726 -4.101 818 1HG2 THR 54 HG21 THR 54 -25.558 -12.640 -3.072 819 2HG2 THR 54 HG22 THR 54 -25.223 -11.847 -4.612 820 3HG2 THR 54 HG23 THR 54 -26.851 -12.420 -4.251 821 H SER 55 HN SER 55 -28.953 -9.901 -1.241 822 HA SER 55 HA SER 55 -30.250 -12.212 -0.337 823 1HB SER 55 HB1 SER 55 -32.344 -10.951 -0.697 824 2HB SER 55 HB2 SER 55 -31.118 -9.967 0.104 825 HG SER 55 HG SER 55 -32.212 -9.731 -2.435 826 H ALA 56 HN ALA 56 -31.416 -13.791 -1.315 827 HA ALA 56 HA ALA 56 -32.333 -13.682 -3.997 828 1HB ALA 56 HB1 ALA 56 -30.847 -15.189 -5.086 829 2HB ALA 56 HB2 ALA 56 -29.982 -15.517 -3.584 830 3HB ALA 56 HB3 ALA 56 -29.859 -13.931 -4.343 831 H ILE 57 HN ILE 57 -31.199 -15.855 -1.427 832 HA ILE 57 HA ILE 57 -33.728 -17.004 -0.989 833 HB ILE 57 HB ILE 57 -33.394 -18.090 -3.143 834 1HG1 ILE 57 HG12 ILE 57 -33.608 -20.451 -2.415 835 2HG1 ILE 57 HG11 ILE 57 -33.051 -19.987 -0.810 836 1HG2 ILE 57 HG21 ILE 57 -30.932 -18.004 -3.151 837 2HG2 ILE 57 HG22 ILE 57 -31.558 -19.599 -3.568 838 3HG2 ILE 57 HG23 ILE 57 -30.902 -19.302 -1.958 839 1HD1 ILE 57 HD11 ILE 57 -35.131 -19.539 -0.230 840 2HD1 ILE 57 HD12 ILE 57 -35.684 -19.963 -1.851 841 3HD1 ILE 57 HD13 ILE 57 -35.218 -18.301 -1.483 842 H SER 58 HN SER 58 -33.749 -18.014 0.946 843 HA SER 58 HA SER 58 -31.453 -17.923 2.589 844 1HB SER 58 HB2 SER 58 -34.079 -19.364 3.027 845 2HB SER 58 HB1 SER 58 -32.866 -19.060 4.268 846 HG SER 58 HG SER 58 -34.786 -17.518 3.847 847 H GLU 59 HN GLU 59 -33.257 -20.701 1.265 848 HA GLU 59 HA GLU 59 -31.405 -22.631 2.216 849 1HB GLU 59 HB2 GLU 59 -32.602 -24.204 0.749 850 2HB GLU 59 HB1 GLU 59 -33.706 -23.241 1.721 851 1HG GLU 59 HG1 GLU 59 -34.141 -21.795 -0.197 852 2HG GLU 59 HG2 GLU 59 -33.032 -22.759 -1.172 853 H ASP 60 HN ASP 60 -29.633 -23.510 1.305 854 HA ASP 60 HA ASP 60 -29.001 -23.465 -1.437 855 1HB ASP 60 HB1 ASP 60 -28.685 -21.065 -1.091 856 2HB ASP 60 HB2 ASP 60 -27.575 -21.388 0.239 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 6.274 19.477 -9.636 2 2H GLY 1 HT2 GLY 1 6.472 21.157 -9.577 3 3H GLY 1 HT3 GLY 1 7.201 20.179 -8.406 4 1HA GLY 1 HA2 GLY 1 7.853 19.997 -11.289 5 2HA GLY 1 HA1 GLY 1 8.726 21.043 -10.182 6 H SER 2 HN SER 2 8.816 19.423 -7.926 7 HA SER 2 HA SER 2 9.708 16.794 -8.454 8 1HB SER 2 HB1 SER 2 12.144 17.184 -7.959 9 2HB SER 2 HB2 SER 2 11.612 17.802 -9.522 10 HG SER 2 HG SER 2 12.265 19.681 -8.890 11 H ALA 3 HN ALA 3 7.974 17.774 -6.613 12 HA ALA 3 HA ALA 3 9.047 18.425 -4.100 13 1HB ALA 3 HB1 ALA 3 6.904 18.548 -3.486 14 2HB ALA 3 HB2 ALA 3 6.588 16.879 -3.957 15 3HB ALA 3 HB3 ALA 3 6.516 18.164 -5.162 16 H ALA 4 HN ALA 4 9.876 17.242 -2.480 17 HA ALA 4 HA ALA 4 10.572 14.496 -2.991 18 1HB ALA 4 HB1 ALA 4 11.069 16.125 -0.504 19 2HB ALA 4 HB2 ALA 4 12.123 16.108 -1.919 20 3HB ALA 4 HB3 ALA 4 11.883 14.634 -0.981 21 H SER 5 HN SER 5 7.847 14.584 -2.912 22 HA SER 5 HA SER 5 6.672 14.171 -0.400 23 1HB SER 5 HB2 SER 5 5.818 13.144 -3.114 24 2HB SER 5 HB1 SER 5 4.822 13.088 -1.659 25 HG SER 5 HG SER 5 4.254 15.036 -2.140 26 HA PRO 6 HA PRO 6 7.215 9.380 -1.352 27 1HB PRO 6 HB2 PRO 6 9.630 8.925 -2.653 28 2HB PRO 6 HB1 PRO 6 8.025 8.789 -3.371 29 1HG PRO 6 HG2 PRO 6 9.994 11.023 -3.522 30 2HG PRO 6 HG1 PRO 6 8.856 10.446 -4.752 31 1HD PRO 6 HD1 PRO 6 8.420 12.702 -3.348 32 2HD PRO 6 HD2 PRO 6 7.091 11.641 -3.860 33 H ALA 7 HN ALA 7 8.440 7.991 -0.075 34 HA ALA 7 HA ALA 7 9.734 7.417 1.688 35 1HB ALA 7 HB1 ALA 7 11.468 8.929 -0.088 36 2HB ALA 7 HB2 ALA 7 11.780 7.438 0.800 37 3HB ALA 7 HB3 ALA 7 11.993 9.000 1.594 38 H VAL 8 HN VAL 8 7.794 9.370 2.031 39 HA VAL 8 HA VAL 8 8.810 11.354 3.830 40 HB VAL 8 HB VAL 8 6.885 11.904 2.417 41 1HG1 VAL 8 HG11 VAL 8 5.924 9.375 3.407 42 2HG1 VAL 8 HG12 VAL 8 5.361 10.337 2.041 43 3HG1 VAL 8 HG13 VAL 8 4.733 10.651 3.658 44 1HG2 VAL 8 HG21 VAL 8 5.274 12.385 4.521 45 2HG2 VAL 8 HG22 VAL 8 6.714 13.333 4.150 46 3HG2 VAL 8 HG23 VAL 8 6.790 12.048 5.356 47 H ASP 9 HN ASP 9 9.733 9.144 4.672 48 HA ASP 9 HA ASP 9 10.033 7.937 6.559 49 1HB ASP 9 HB1 ASP 9 7.384 9.114 7.405 50 2HB ASP 9 HB2 ASP 9 8.377 8.075 8.421 51 H ILE 10 HN ILE 10 8.046 7.745 4.191 52 HA ILE 10 HA ILE 10 6.847 6.304 3.064 53 HB ILE 10 HB ILE 10 9.074 5.138 3.638 54 1HG1 ILE 10 HG11 ILE 10 8.370 3.348 2.156 55 2HG1 ILE 10 HG12 ILE 10 6.686 3.723 2.475 56 1HG2 ILE 10 HG21 ILE 10 7.475 2.867 4.539 57 2HG2 ILE 10 HG22 ILE 10 7.639 4.165 5.721 58 3HG2 ILE 10 HG23 ILE 10 9.078 3.406 5.040 59 1HD1 ILE 10 HD11 ILE 10 6.886 5.865 1.396 60 2HD1 ILE 10 HD12 ILE 10 7.529 4.623 0.308 61 3HD1 ILE 10 HD13 ILE 10 8.635 5.655 1.222 62 H GLY 11 HN GLY 11 6.688 5.335 6.511 63 1HA GLY 11 HA2 GLY 11 4.261 3.914 6.200 64 2HA GLY 11 HA1 GLY 11 4.868 4.549 7.708 65 H ASP 12 HN ASP 12 5.056 7.108 5.971 66 HA ASP 12 HA ASP 12 2.592 8.214 6.903 67 1HB ASP 12 HB2 ASP 12 4.622 9.577 6.872 68 2HB ASP 12 HB1 ASP 12 4.807 9.297 5.134 69 H ARG 13 HN ARG 13 4.053 7.188 3.952 70 HA ARG 13 HA ARG 13 2.172 8.007 2.042 71 1HB ARG 13 HB2 ARG 13 3.947 5.567 2.180 72 2HB ARG 13 HB1 ARG 13 3.279 6.252 0.724 73 1HG ARG 13 HG2 ARG 13 5.078 7.840 2.501 74 2HG ARG 13 HG1 ARG 13 5.732 6.710 1.314 75 1HD ARG 13 HD2 ARG 13 5.656 8.958 0.423 76 2HD ARG 13 HD1 ARG 13 4.575 7.883 -0.458 77 HE ARG 13 HE ARG 13 3.129 9.170 1.581 78 1HH1 ARG 13 HH11 ARG 13 4.666 9.888 -1.463 79 2HH1 ARG 13 HH12 ARG 13 3.612 11.215 -1.825 80 1HH2 ARG 13 HH21 ARG 13 1.741 10.909 1.113 81 2HH2 ARG 13 HH22 ARG 13 1.950 11.796 -0.360 82 H LEU 14 HN LEU 14 2.760 5.058 3.708 83 HA LEU 14 HA LEU 14 0.674 3.415 2.887 84 1HB LEU 14 HB2 LEU 14 2.544 3.703 5.182 85 2HB LEU 14 HB1 LEU 14 1.416 2.385 5.188 86 HG LEU 14 HG LEU 14 3.086 2.764 2.760 87 1HD1 LEU 14 HD11 LEU 14 4.759 1.229 4.085 88 2HD1 LEU 14 HD12 LEU 14 4.110 2.132 5.456 89 3HD1 LEU 14 HD13 LEU 14 4.878 2.991 4.115 90 1HD2 LEU 14 HD21 LEU 14 1.547 0.971 2.718 91 2HD2 LEU 14 HD22 LEU 14 2.054 0.414 4.312 92 3HD2 LEU 14 HD23 LEU 14 3.151 0.273 2.938 93 H ASP 15 HN ASP 15 1.075 5.226 5.902 94 HA ASP 15 HA ASP 15 -1.236 4.542 7.199 95 1HB ASP 15 HB1 ASP 15 0.671 5.981 8.041 96 2HB ASP 15 HB2 ASP 15 -0.074 7.330 7.194 97 H GLU 16 HN GLU 16 -0.721 7.247 4.991 98 HA GLU 16 HA GLU 16 -3.346 8.196 4.996 99 1HB GLU 16 HB2 GLU 16 -1.272 8.406 2.820 100 2HB GLU 16 HB1 GLU 16 -2.744 9.361 2.908 101 1HG GLU 16 HG2 GLU 16 -1.943 10.233 5.105 102 2HG GLU 16 HG1 GLU 16 -0.416 9.420 4.796 103 H LEU 17 HN LEU 17 -1.847 5.592 3.339 104 HA LEU 17 HA LEU 17 -3.736 5.271 1.258 105 1HB LEU 17 HB1 LEU 17 -1.435 4.317 1.206 106 2HB LEU 17 HB2 LEU 17 -1.879 3.239 2.505 107 HG LEU 17 HG LEU 17 -3.184 1.892 1.161 108 1HD1 LEU 17 HD11 LEU 17 -4.459 3.944 0.301 109 2HD1 LEU 17 HD12 LEU 17 -4.365 2.525 -0.742 110 3HD1 LEU 17 HD13 LEU 17 -3.318 3.912 -1.045 111 1HD2 LEU 17 HD21 LEU 17 -1.209 1.283 0.258 112 2HD2 LEU 17 HD22 LEU 17 -0.791 2.930 -0.218 113 3HD2 LEU 17 HD23 LEU 17 -1.915 1.985 -1.197 114 H GLU 18 HN GLU 18 -3.276 3.718 4.345 115 HA GLU 18 HA GLU 18 -5.495 1.973 4.168 116 1HB GLU 18 HB2 GLU 18 -3.643 1.612 5.763 117 2HB GLU 18 HB1 GLU 18 -4.081 3.097 6.598 118 1HG GLU 18 HG2 GLU 18 -6.181 2.143 7.280 119 2HG GLU 18 HG1 GLU 18 -5.851 0.685 6.354 120 H LYS 19 HN LYS 19 -5.003 5.138 5.529 121 HA LYS 19 HA LYS 19 -7.497 5.431 6.669 122 1HB LYS 19 HB1 LYS 19 -5.749 7.542 5.429 123 2HB LYS 19 HB2 LYS 19 -7.028 7.825 6.611 124 1HG LYS 19 HG1 LYS 19 -4.898 5.879 7.253 125 2HG LYS 19 HG2 LYS 19 -4.503 7.604 7.322 126 1HD LYS 19 HD1 LYS 19 -6.738 6.214 8.793 127 2HD LYS 19 HD2 LYS 19 -5.220 6.762 9.506 128 1HE LYS 19 HE2 LYS 19 -5.784 9.067 8.992 129 2HE LYS 19 HE1 LYS 19 -7.272 8.545 8.203 130 1HZ LYS 19 HZ1 LYS 19 -7.940 9.193 10.317 131 2HZ LYS 19 HZ2 LYS 19 -6.601 8.493 11.078 132 3HZ LYS 19 HZ3 LYS 19 -7.826 7.510 10.452 133 H ALA 20 HN ALA 20 -6.286 5.905 3.443 134 HA ALA 20 HA ALA 20 -8.593 7.088 2.312 135 1HB ALA 20 HB1 ALA 20 -7.440 6.981 0.335 136 2HB ALA 20 HB2 ALA 20 -6.887 5.323 0.667 137 3HB ALA 20 HB3 ALA 20 -6.084 6.701 1.439 138 H LEU 21 HN LEU 21 -7.296 3.891 2.321 139 HA LEU 21 HA LEU 21 -9.220 2.564 0.895 140 1HB LEU 21 HB1 LEU 21 -6.897 2.042 2.273 141 2HB LEU 21 HB2 LEU 21 -8.098 1.045 3.009 142 HG LEU 21 HG LEU 21 -7.863 -0.397 1.417 143 1HD1 LEU 21 HD21 LEU 21 -9.678 0.987 0.459 144 2HD1 LEU 21 HD22 LEU 21 -8.762 0.026 -0.713 145 3HD1 LEU 21 HD23 LEU 21 -8.453 1.757 -0.547 146 1HD2 LEU 21 HD11 LEU 21 -5.613 0.539 1.211 147 2HD2 LEU 21 HD12 LEU 21 -6.221 1.614 -0.057 148 3HD2 LEU 21 HD13 LEU 21 -6.237 -0.140 -0.296 149 H GLU 22 HN GLU 22 -8.944 3.153 4.318 150 HA GLU 22 HA GLU 22 -11.041 1.733 5.282 151 1HB GLU 22 HB1 GLU 22 -10.013 4.442 6.081 152 2HB GLU 22 HB2 GLU 22 -11.285 3.629 6.985 153 1HG GLU 22 HG1 GLU 22 -9.760 1.755 7.419 154 2HG GLU 22 HG2 GLU 22 -8.487 2.610 6.549 155 H ALA 23 HN ALA 23 -10.993 4.622 3.467 156 HA ALA 23 HA ALA 23 -13.751 5.251 3.813 157 1HB ALA 23 HB1 ALA 23 -11.465 6.389 2.428 158 2HB ALA 23 HB2 ALA 23 -12.901 7.189 3.074 159 3HB ALA 23 HB3 ALA 23 -12.940 6.473 1.461 160 H LEU 24 HN LEU 24 -11.767 3.762 1.292 161 HA LEU 24 HA LEU 24 -14.098 3.048 -0.245 162 1HB LEU 24 HB1 LEU 24 -11.175 2.670 -0.659 163 2HB LEU 24 HB2 LEU 24 -12.344 1.872 -1.695 164 HG LEU 24 HG LEU 24 -13.330 4.256 -1.982 165 1HD1 LEU 24 HD11 LEU 24 -10.645 4.747 -0.782 166 2HD1 LEU 24 HD12 LEU 24 -12.212 5.438 -0.346 167 3HD1 LEU 24 HD13 LEU 24 -11.416 5.929 -1.845 168 1HD2 LEU 24 HD21 LEU 24 -11.103 4.616 -3.539 169 2HD2 LEU 24 HD22 LEU 24 -12.558 3.716 -3.975 170 3HD2 LEU 24 HD23 LEU 24 -11.165 2.868 -3.302 171 H SER 25 HN SER 25 -13.290 1.846 2.467 172 HA SER 25 HA SER 25 -12.584 -0.784 2.333 173 1HB SER 25 HB1 SER 25 -13.911 -1.115 4.395 174 2HB SER 25 HB2 SER 25 -12.940 0.350 4.444 175 HG SER 25 HG SER 25 -14.868 1.065 5.077 176 H ALA 26 HN ALA 26 -13.355 -1.698 0.416 177 HA ALA 26 HA ALA 26 -14.761 -2.891 -0.924 178 1HB ALA 26 HB1 ALA 26 -16.339 -3.482 1.536 179 2HB ALA 26 HB2 ALA 26 -14.724 -4.148 1.297 180 3HB ALA 26 HB3 ALA 26 -16.016 -4.530 0.156 181 H GLU 27 HN GLU 27 -15.383 -0.154 -0.436 182 HA GLU 27 HA GLU 27 -18.077 0.400 -0.041 183 1HB GLU 27 HB2 GLU 27 -15.836 1.818 -1.406 184 2HB GLU 27 HB1 GLU 27 -17.452 2.498 -1.441 185 1HG GLU 27 HG1 GLU 27 -16.107 1.666 1.101 186 2HG GLU 27 HG2 GLU 27 -15.904 3.277 0.407 187 H ASP 28 HN ASP 28 -16.394 -0.469 -3.024 188 HA ASP 28 HA ASP 28 -18.898 -1.167 -4.232 189 1HB ASP 28 HB2 ASP 28 -18.554 1.370 -4.462 190 2HB ASP 28 HB1 ASP 28 -17.312 0.948 -5.629 191 H GLY 29 HN GLY 29 -16.935 -2.781 -3.699 192 1HA GLY 29 HA1 GLY 29 -15.583 -4.384 -4.594 193 2HA GLY 29 HA2 GLY 29 -16.345 -4.014 -6.132 194 H HIS 30 HN HIS 30 -14.240 -2.166 -3.956 195 HA HIS 30 HA HIS 30 -12.778 -1.121 -6.158 196 1HB HIS 30 HB1 HIS 30 -12.455 -0.850 -3.175 197 2HB HIS 30 HB2 HIS 30 -11.291 -0.167 -4.304 198 HD1 HIS 30 HD1 HIS 30 -12.603 1.354 -6.278 199 HD2 HIS 30 HD2 HIS 30 -14.375 0.987 -2.538 200 HE1 HIS 30 HE1 HIS 30 -14.207 3.276 -6.101 201 HE2 HIS 30 HE2 HIS 30 -15.331 2.984 -3.865 202 H ASP 31 HN ASP 31 -12.621 -3.811 -6.360 203 HA ASP 31 HA ASP 31 -10.431 -5.086 -5.203 204 1HB ASP 31 HB2 ASP 31 -12.101 -6.302 -6.502 205 2HB ASP 31 HB1 ASP 31 -11.617 -5.452 -7.964 206 H ASP 32 HN ASP 32 -10.585 -2.559 -7.488 207 HA ASP 32 HA ASP 32 -8.141 -2.931 -8.847 208 1HB ASP 32 HB2 ASP 32 -9.627 -0.369 -8.257 209 2HB ASP 32 HB1 ASP 32 -8.327 -0.543 -9.432 210 H VAL 33 HN VAL 33 -9.035 -1.509 -5.850 211 HA VAL 33 HA VAL 33 -6.677 -0.163 -5.268 212 HB VAL 33 HB VAL 33 -8.619 -1.473 -3.391 213 1HG1 VAL 33 HG21 VAL 33 -6.211 -0.520 -2.692 214 2HG1 VAL 33 HG22 VAL 33 -7.645 -0.378 -1.664 215 3HG1 VAL 33 HG23 VAL 33 -7.144 0.987 -2.661 216 1HG2 VAL 33 HG11 VAL 33 -8.709 1.422 -3.961 217 2HG2 VAL 33 HG12 VAL 33 -10.017 0.285 -3.637 218 3HG2 VAL 33 HG13 VAL 33 -9.268 0.336 -5.236 219 H GLY 34 HN GLY 34 -7.763 -3.436 -4.430 220 1HA GLY 34 HA2 GLY 34 -5.487 -4.193 -2.963 221 2HA GLY 34 HA1 GLY 34 -6.595 -5.291 -3.755 222 H GLN 35 HN GLN 35 -6.196 -4.242 -6.386 223 HA GLN 35 HA GLN 35 -4.041 -5.839 -7.209 224 1HB GLN 35 HB1 GLN 35 -5.836 -3.848 -8.481 225 2HB GLN 35 HB2 GLN 35 -4.383 -4.313 -9.358 226 1HG GLN 35 HG2 GLN 35 -6.498 -6.206 -8.364 227 2HG GLN 35 HG1 GLN 35 -6.367 -5.603 -10.014 228 1HE2 GLN 35 HE21 GLN 35 -5.498 -7.004 -11.344 229 2HE2 GLN 35 HE22 GLN 35 -4.276 -8.161 -10.963 230 H ARG 36 HN ARG 36 -4.373 -2.435 -6.608 231 HA ARG 36 HA ARG 36 -1.804 -1.677 -7.483 232 1HB ARG 36 HB1 ARG 36 -3.678 -0.319 -5.542 233 2HB ARG 36 HB2 ARG 36 -2.325 0.435 -6.374 234 1HG ARG 36 HG1 ARG 36 -4.435 -0.830 -8.023 235 2HG ARG 36 HG2 ARG 36 -4.795 0.706 -7.227 236 1HD ARG 36 HD2 ARG 36 -2.862 1.709 -8.234 237 2HD ARG 36 HD1 ARG 36 -2.404 0.179 -8.967 238 HE ARG 36 HE ARG 36 -5.017 0.930 -9.770 239 1HH1 ARG 36 HH11 ARG 36 -1.657 1.679 -10.298 240 2HH1 ARG 36 HH12 ARG 36 -1.911 2.292 -11.898 241 1HH2 ARG 36 HH21 ARG 36 -5.363 1.738 -11.877 242 2HH2 ARG 36 HH22 ARG 36 -4.018 2.326 -12.795 243 H LEU 37 HN LEU 37 -3.356 -2.337 -4.422 244 HA LEU 37 HA LEU 37 -1.356 -1.882 -2.633 245 1HB LEU 37 HB2 LEU 37 -3.854 -3.387 -2.841 246 2HB LEU 37 HB1 LEU 37 -2.804 -3.838 -1.570 247 HG LEU 37 HG LEU 37 -3.735 -1.139 -2.042 248 1HD1 LEU 37 HD21 LEU 37 -4.626 -2.075 0.450 249 2HD1 LEU 37 HD22 LEU 37 -5.026 -3.305 -0.749 250 3HD1 LEU 37 HD23 LEU 37 -5.604 -1.650 -0.956 251 1HD2 LEU 37 HD11 LEU 37 -1.611 -1.058 -1.013 252 2HD2 LEU 37 HD12 LEU 37 -2.057 -2.338 0.115 253 3HD2 LEU 37 HD13 LEU 37 -2.798 -0.741 0.254 254 H GLU 38 HN GLU 38 -2.225 -4.834 -4.349 255 HA GLU 38 HA GLU 38 -0.290 -6.447 -3.111 256 1HB GLU 38 HB2 GLU 38 -2.441 -7.071 -4.429 257 2HB GLU 38 HB1 GLU 38 -1.392 -7.017 -5.832 258 1HG GLU 38 HG2 GLU 38 0.073 -8.686 -4.760 259 2HG GLU 38 HG1 GLU 38 -1.061 -8.780 -3.415 260 H SER 39 HN SER 39 -0.515 -4.895 -6.199 261 HA SER 39 HA SER 39 1.912 -5.604 -7.347 262 1HB SER 39 HB2 SER 39 0.097 -4.223 -8.427 263 2HB SER 39 HB1 SER 39 0.670 -2.845 -7.499 264 HG SER 39 HG SER 39 1.930 -4.217 -9.599 265 H LEU 40 HN LEU 40 1.149 -3.025 -5.077 266 HA LEU 40 HA LEU 40 3.507 -1.699 -4.869 267 1HB LEU 40 HB1 LEU 40 1.407 -2.421 -2.870 268 2HB LEU 40 HB2 LEU 40 2.807 -1.496 -2.407 269 HG LEU 40 HG LEU 40 0.728 -0.694 -4.431 270 1HD1 LEU 40 HD21 LEU 40 -0.185 0.638 -2.851 271 2HD1 LEU 40 HD22 LEU 40 1.358 0.939 -2.052 272 3HD1 LEU 40 HD23 LEU 40 0.497 -0.577 -1.769 273 1HD2 LEU 40 HD11 LEU 40 2.000 1.055 -5.082 274 2HD2 LEU 40 HD12 LEU 40 3.315 -0.033 -4.637 275 3HD2 LEU 40 HD13 LEU 40 2.780 1.214 -3.508 276 H LEU 41 HN LEU 41 2.461 -4.506 -2.985 277 HA LEU 41 HA LEU 41 4.978 -4.828 -1.719 278 1HB LEU 41 HB2 LEU 41 2.439 -6.192 -1.795 279 2HB LEU 41 HB1 LEU 41 3.801 -7.178 -1.377 280 HG LEU 41 HG LEU 41 2.888 -4.681 0.039 281 1HD1 LEU 41 HD21 LEU 41 1.516 -6.657 0.463 282 2HD1 LEU 41 HD22 LEU 41 2.461 -6.221 1.889 283 3HD1 LEU 41 HD23 LEU 41 2.968 -7.571 0.875 284 1HD2 LEU 41 HD11 LEU 41 4.810 -4.576 1.157 285 2HD2 LEU 41 HD12 LEU 41 5.478 -5.564 -0.147 286 3HD2 LEU 41 HD13 LEU 41 4.898 -6.329 1.341 287 H ARG 42 HN ARG 42 3.298 -6.858 -4.110 288 HA ARG 42 HA ARG 42 5.217 -8.754 -4.427 289 1HB ARG 42 HB2 ARG 42 3.012 -8.754 -5.597 290 2HB ARG 42 HB1 ARG 42 3.602 -7.500 -6.675 291 1HG ARG 42 HG2 ARG 42 4.956 -10.168 -6.477 292 2HG ARG 42 HG1 ARG 42 3.573 -9.894 -7.537 293 1HD ARG 42 HD1 ARG 42 4.808 -8.078 -8.646 294 2HD ARG 42 HD2 ARG 42 6.197 -8.411 -7.614 295 HE ARG 42 HE ARG 42 6.755 -10.075 -9.055 296 1HH1 ARG 42 HH11 ARG 42 3.320 -9.533 -9.310 297 2HH1 ARG 42 HH12 ARG 42 3.097 -10.720 -10.552 298 1HH2 ARG 42 HH21 ARG 42 6.468 -11.637 -10.689 299 2HH2 ARG 42 HH22 ARG 42 4.885 -11.915 -11.335 300 H ARG 43 HN ARG 43 5.263 -5.461 -5.402 301 HA ARG 43 HA ARG 43 7.678 -5.777 -6.939 302 1HB ARG 43 HB1 ARG 43 6.140 -3.275 -6.241 303 2HB ARG 43 HB2 ARG 43 7.540 -3.337 -7.302 304 1HG ARG 43 HG2 ARG 43 4.836 -4.565 -7.782 305 2HG ARG 43 HG1 ARG 43 5.571 -3.216 -8.646 306 1HD ARG 43 HD1 ARG 43 7.360 -4.756 -9.413 307 2HD ARG 43 HD2 ARG 43 6.488 -6.083 -8.645 308 HE ARG 43 HE ARG 43 4.726 -4.786 -10.372 309 1HH1 ARG 43 HH11 ARG 43 7.646 -6.683 -10.527 310 2HH1 ARG 43 HH12 ARG 43 7.287 -7.344 -12.087 311 1HH2 ARG 43 HH21 ARG 43 4.245 -5.653 -12.426 312 2HH2 ARG 43 HH22 ARG 43 5.354 -6.758 -13.166 313 H TRP 44 HN TRP 44 6.526 -4.586 -3.866 314 HA TRP 44 HA TRP 44 8.927 -3.416 -2.972 315 1HB TRP 44 HB2 TRP 44 6.749 -2.871 -1.995 316 2HB TRP 44 HB1 TRP 44 6.590 -4.536 -1.441 317 HD1 TRP 44 HD1 TRP 44 7.070 -4.786 0.942 318 HE1 TRP 44 HE1 TRP 44 8.625 -3.699 2.700 319 HE3 TRP 44 HE3 TRP 44 9.458 -1.402 -2.069 320 HZ2 TRP 44 HZ2 TRP 44 10.622 -1.719 2.759 321 HZ3 TRP 44 HZ3 TRP 44 11.171 0.038 -1.032 322 HH2 TRP 44 HH2 TRP 44 11.719 -0.105 1.292 323 H ASN 45 HN ASN 45 7.337 -6.472 -2.046 324 HA ASN 45 HA ASN 45 9.406 -7.509 -0.532 325 1HB ASN 45 HB1 ASN 45 7.165 -8.767 -2.067 326 2HB ASN 45 HB2 ASN 45 8.273 -9.733 -1.111 327 1HD2 ASN 45 HD21 ASN 45 5.435 -8.079 -1.148 328 2HD2 ASN 45 HD22 ASN 45 5.187 -7.920 0.544 329 H SER 46 HN SER 46 8.888 -7.621 -3.954 330 HA SER 46 HA SER 46 10.786 -9.597 -4.604 331 1HB SER 46 HB2 SER 46 9.079 -8.868 -6.193 332 2HB SER 46 HB1 SER 46 9.814 -7.268 -6.263 333 HG SER 46 HG SER 46 10.512 -9.554 -7.562 334 H ARG 47 HN ARG 47 11.038 -6.056 -4.518 335 HA ARG 47 HA ARG 47 13.701 -5.876 -5.354 336 1HB ARG 47 HB2 ARG 47 12.006 -4.076 -3.638 337 2HB ARG 47 HB1 ARG 47 13.646 -3.658 -4.118 338 1HG ARG 47 HG2 ARG 47 13.056 -3.607 -6.413 339 2HG ARG 47 HG1 ARG 47 11.481 -4.337 -6.089 340 1HD ARG 47 HD1 ARG 47 10.717 -2.398 -4.980 341 2HD ARG 47 HD2 ARG 47 12.326 -1.696 -4.947 342 HE ARG 47 HE ARG 47 11.861 -0.794 -6.980 343 1HH1 ARG 47 HH11 ARG 47 9.966 -3.697 -6.641 344 2HH1 ARG 47 HH12 ARG 47 9.187 -3.521 -8.177 345 1HH2 ARG 47 HH21 ARG 47 10.843 -0.556 -9.001 346 2HH2 ARG 47 HH22 ARG 47 9.686 -1.737 -9.519 347 H ARG 48 HN ARG 48 12.281 -6.482 -2.220 348 HA ARG 48 HA ARG 48 14.491 -6.098 -0.568 349 1HB ARG 48 HB2 ARG 48 12.253 -8.120 -0.419 350 2HB ARG 48 HB1 ARG 48 13.408 -7.856 0.870 351 1HG ARG 48 HG1 ARG 48 12.647 -5.554 1.102 352 2HG ARG 48 HG2 ARG 48 11.513 -5.792 -0.232 353 1HD ARG 48 HD2 ARG 48 10.393 -5.985 1.929 354 2HD ARG 48 HD1 ARG 48 10.354 -7.510 1.043 355 HE ARG 48 HE ARG 48 12.588 -7.511 2.733 356 1HH1 ARG 48 HH11 ARG 48 9.110 -7.592 2.917 357 2HH1 ARG 48 HH12 ARG 48 9.081 -8.478 4.404 358 1HH2 ARG 48 HH21 ARG 48 12.560 -8.679 4.688 359 2HH2 ARG 48 HH22 ARG 48 11.043 -9.096 5.412 360 H ALA 49 HN ALA 49 13.372 -9.021 -2.190 361 HA ALA 49 HA ALA 49 15.433 -10.734 -1.478 362 1HB ALA 49 HB1 ALA 49 14.776 -11.747 -3.861 363 2HB ALA 49 HB2 ALA 49 13.401 -10.667 -3.621 364 3HB ALA 49 HB3 ALA 49 13.755 -11.924 -2.433 365 H ASP 50 HN ASP 50 15.241 -8.357 -3.991 366 HA ASP 50 HA ASP 50 17.665 -9.164 -5.303 367 1HB ASP 50 HB2 ASP 50 16.008 -6.649 -5.568 368 2HB ASP 50 HB1 ASP 50 17.354 -7.083 -6.613 369 H ALA 51 HN ALA 51 18.272 -8.870 -2.655 370 HA ALA 51 HA ALA 51 20.440 -7.057 -2.732 371 1HB ALA 51 HB1 ALA 51 19.479 -5.177 -2.038 372 2HB ALA 51 HB2 ALA 51 19.161 -5.977 -0.498 373 3HB ALA 51 HB3 ALA 51 17.941 -5.998 -1.771 374 HA PRO 52 HA PRO 52 21.547 -10.077 0.346 375 1HB PRO 52 HB2 PRO 52 24.058 -9.249 0.825 376 2HB PRO 52 HB1 PRO 52 23.607 -10.026 -0.698 377 1HG PRO 52 HG1 PRO 52 23.969 -7.116 -0.085 378 2HG PRO 52 HG2 PRO 52 24.510 -8.036 -1.502 379 1HD PRO 52 HD2 PRO 52 22.259 -6.480 -1.471 380 2HD PRO 52 HD1 PRO 52 22.463 -7.891 -2.525 381 H SER 53 HN SER 53 19.924 -7.961 1.322 382 HA SER 53 HA SER 53 19.363 -6.882 3.242 383 1HB SER 53 HB1 SER 53 21.443 -8.733 4.432 384 2HB SER 53 HB2 SER 53 20.251 -7.816 5.351 385 HG SER 53 HG SER 53 19.046 -9.508 5.054 386 H THR 54 HN THR 54 20.999 -5.402 1.702 387 HA THR 54 HA THR 54 23.403 -4.508 2.780 388 HB THR 54 HB THR 54 23.051 -2.434 1.500 389 HG1 THR 54 HG1 THR 54 20.414 -3.415 1.440 390 1HG2 THR 54 HG21 THR 54 23.490 -4.877 0.495 391 2HG2 THR 54 HG22 THR 54 23.386 -3.435 -0.514 392 3HG2 THR 54 HG23 THR 54 21.987 -4.495 -0.343 393 H SER 55 HN SER 55 23.972 -3.067 4.319 394 HA SER 55 HA SER 55 22.244 -1.127 5.445 395 1HB SER 55 HB2 SER 55 21.176 -3.077 6.480 396 2HB SER 55 HB1 SER 55 22.732 -3.599 7.127 397 HG SER 55 HG SER 55 21.097 -2.171 8.405 398 H ALA 56 HN ALA 56 23.400 0.377 6.542 399 HA ALA 56 HA ALA 56 25.210 1.511 7.329 400 1HB ALA 56 HB1 ALA 56 25.145 -0.950 8.712 401 2HB ALA 56 HB2 ALA 56 25.873 0.572 9.227 402 3HB ALA 56 HB3 ALA 56 26.835 -0.608 8.338 403 H ILE 57 HN ILE 57 25.298 0.916 4.654 404 HA ILE 57 HA ILE 57 27.629 -0.357 3.751 405 HB ILE 57 HB ILE 57 25.701 0.186 2.314 406 1HG1 ILE 57 HG12 ILE 57 28.124 -0.169 1.471 407 2HG1 ILE 57 HG11 ILE 57 26.929 0.467 0.350 408 1HG2 ILE 57 HG21 ILE 57 26.688 3.011 2.599 409 2HG2 ILE 57 HG22 ILE 57 25.130 2.362 3.109 410 3HG2 ILE 57 HG23 ILE 57 25.514 2.482 1.392 411 1HD1 ILE 57 HD11 ILE 57 27.783 2.728 0.766 412 2HD1 ILE 57 HD12 ILE 57 29.002 1.642 0.098 413 3HD1 ILE 57 HD13 ILE 57 29.021 2.041 1.816 414 H SER 58 HN SER 58 29.693 0.274 3.535 415 HA SER 58 HA SER 58 30.568 2.962 3.424 416 1HB SER 58 HB2 SER 58 29.968 2.954 5.807 417 2HB SER 58 HB1 SER 58 30.995 1.545 6.067 418 HG SER 58 HG SER 58 31.731 4.197 5.481 419 H GLU 59 HN GLU 59 31.066 0.783 1.848 420 HA GLU 59 HA GLU 59 33.377 -0.686 2.468 421 1HB GLU 59 HB2 GLU 59 31.845 -1.321 0.666 422 2HB GLU 59 HB1 GLU 59 32.290 0.121 -0.236 423 1HG GLU 59 HG1 GLU 59 34.580 -0.705 -0.429 424 2HG GLU 59 HG2 GLU 59 34.133 -2.151 0.475 425 H ASP 60 HN ASP 60 35.511 -0.289 2.263 426 HA ASP 60 HA ASP 60 36.646 1.713 0.630 427 1HB ASP 60 HB2 ASP 60 35.652 3.234 2.279 428 2HB ASP 60 HB1 ASP 60 36.481 2.382 3.577 429 1H GLY 1 HT1 GLY 1 -6.404 19.333 9.963 430 2H GLY 1 HT2 GLY 1 -6.675 21.003 9.962 431 3H GLY 1 HT3 GLY 1 -7.441 20.022 8.817 432 1HA GLY 1 HA1 GLY 1 -7.885 19.716 11.727 433 2HA GLY 1 HA2 GLY 1 -8.861 20.788 10.736 434 H SER 2 HN SER 2 -9.144 19.320 8.428 435 HA SER 2 HA SER 2 -9.979 16.635 8.972 436 1HB SER 2 HB1 SER 2 -12.149 18.678 8.428 437 2HB SER 2 HB2 SER 2 -12.370 16.942 8.626 438 HG SER 2 HG SER 2 -12.289 18.838 10.503 439 H ALA 3 HN ALA 3 -8.220 17.670 7.121 440 HA ALA 3 HA ALA 3 -9.272 18.291 4.607 441 1HB ALA 3 HB1 ALA 3 -7.129 18.393 4.003 442 2HB ALA 3 HB2 ALA 3 -6.837 16.714 4.461 443 3HB ALA 3 HB3 ALA 3 -6.747 17.988 5.677 444 H ALA 4 HN ALA 4 -10.129 17.123 2.994 445 HA ALA 4 HA ALA 4 -10.860 14.390 3.502 446 1HB ALA 4 HB1 ALA 4 -11.317 16.034 1.016 447 2HB ALA 4 HB2 ALA 4 -12.390 15.999 2.416 448 3HB ALA 4 HB3 ALA 4 -12.138 14.537 1.462 449 H SER 5 HN SER 5 -8.099 14.564 3.403 450 HA SER 5 HA SER 5 -6.935 14.056 0.911 451 1HB SER 5 HB1 SER 5 -5.638 14.610 2.938 452 2HB SER 5 HB2 SER 5 -6.043 13.036 3.619 453 HG SER 5 HG SER 5 -4.083 13.678 1.909 454 HA PRO 6 HA PRO 6 -7.538 9.306 2.002 455 1HB PRO 6 HB2 PRO 6 -9.837 8.855 3.456 456 2HB PRO 6 HB1 PRO 6 -8.208 8.880 4.138 457 1HG PRO 6 HG2 PRO 6 -10.284 11.030 4.102 458 2HG PRO 6 HG1 PRO 6 -9.178 10.561 5.407 459 1HD PRO 6 HD1 PRO 6 -8.718 12.724 3.890 460 2HD PRO 6 HD2 PRO 6 -7.389 11.697 4.466 461 H ALA 7 HN ALA 7 -8.837 7.917 0.773 462 HA ALA 7 HA ALA 7 -10.296 7.326 -0.864 463 1HB ALA 7 HB1 ALA 7 -11.859 9.013 0.905 464 2HB ALA 7 HB2 ALA 7 -12.309 7.526 0.071 465 3HB ALA 7 HB3 ALA 7 -12.433 9.076 -0.762 466 H VAL 8 HN VAL 8 -8.221 9.246 -1.337 467 HA VAL 8 HA VAL 8 -9.257 11.233 -3.153 468 HB VAL 8 HB VAL 8 -7.206 11.584 -1.771 469 1HG1 VAL 8 HG11 VAL 8 -6.401 9.147 -3.035 470 2HG1 VAL 8 HG12 VAL 8 -5.651 10.021 -1.700 471 3HG1 VAL 8 HG13 VAL 8 -5.226 10.421 -3.365 472 1HG2 VAL 8 HG21 VAL 8 -5.785 12.314 -3.901 473 2HG2 VAL 8 HG22 VAL 8 -7.253 13.162 -3.413 474 3HG2 VAL 8 HG23 VAL 8 -7.313 11.969 -4.712 475 H ASP 9 HN ASP 9 -10.315 9.023 -4.023 476 HA ASP 9 HA ASP 9 -10.692 7.909 -5.980 477 1HB ASP 9 HB1 ASP 9 -7.977 8.952 -6.833 478 2HB ASP 9 HB2 ASP 9 -9.085 8.050 -7.863 479 H ILE 10 HN ILE 10 -8.302 7.499 -3.755 480 HA ILE 10 HA ILE 10 -7.264 5.710 -2.835 481 HB ILE 10 HB ILE 10 -9.532 4.611 -3.641 482 1HG1 ILE 10 HG12 ILE 10 -8.706 2.476 -2.623 483 2HG1 ILE 10 HG11 ILE 10 -7.077 3.141 -2.671 484 1HG2 ILE 10 HG21 ILE 10 -7.842 2.602 -4.946 485 2HG2 ILE 10 HG22 ILE 10 -8.098 4.078 -5.875 486 3HG2 ILE 10 HG23 ILE 10 -9.482 3.133 -5.323 487 1HD1 ILE 10 HD11 ILE 10 -7.982 5.060 -1.283 488 2HD1 ILE 10 HD12 ILE 10 -7.835 3.493 -0.485 489 3HD1 ILE 10 HD13 ILE 10 -9.415 4.059 -1.034 490 H GLY 11 HN GLY 11 -7.371 5.486 -6.401 491 1HA GLY 11 HA2 GLY 11 -4.999 4.037 -6.731 492 2HA GLY 11 HA1 GLY 11 -5.692 5.132 -7.920 493 H ASP 12 HN ASP 12 -5.586 7.458 -6.237 494 HA ASP 12 HA ASP 12 -3.018 8.411 -6.867 495 1HB ASP 12 HB2 ASP 12 -4.995 9.868 -6.602 496 2HB ASP 12 HB1 ASP 12 -5.017 9.517 -4.878 497 H ARG 13 HN ARG 13 -4.443 7.232 -3.856 498 HA ARG 13 HA ARG 13 -2.270 7.756 -2.143 499 1HB ARG 13 HB2 ARG 13 -4.220 5.451 -1.953 500 2HB ARG 13 HB1 ARG 13 -3.299 6.164 -0.638 501 1HG ARG 13 HG2 ARG 13 -5.227 7.833 -2.185 502 2HG ARG 13 HG1 ARG 13 -5.805 6.741 -0.928 503 1HD ARG 13 HD2 ARG 13 -5.484 8.930 0.011 504 2HD ARG 13 HD1 ARG 13 -4.280 7.830 0.676 505 HE ARG 13 HE ARG 13 -3.132 9.090 -1.519 506 1HH1 ARG 13 HH11 ARG 13 -4.386 9.934 1.618 507 2HH1 ARG 13 HH12 ARG 13 -3.323 11.284 1.826 508 1HH2 ARG 13 HH21 ARG 13 -1.725 10.870 -1.256 509 2HH2 ARG 13 HH22 ARG 13 -1.810 11.817 0.192 510 H LEU 14 HN LEU 14 -3.199 4.877 -3.973 511 HA LEU 14 HA LEU 14 -1.092 3.196 -3.228 512 1HB LEU 14 HB2 LEU 14 -2.878 3.324 -5.641 513 2HB LEU 14 HB1 LEU 14 -1.608 2.124 -5.528 514 HG LEU 14 HG LEU 14 -3.864 1.288 -4.879 515 1HD1 LEU 14 HD11 LEU 14 -1.665 1.257 -2.846 516 2HD1 LEU 14 HD12 LEU 14 -2.014 0.066 -4.100 517 3HD1 LEU 14 HD13 LEU 14 -3.112 0.254 -2.732 518 1HD2 LEU 14 HD21 LEU 14 -3.589 3.423 -2.845 519 2HD2 LEU 14 HD22 LEU 14 -4.457 1.939 -2.453 520 3HD2 LEU 14 HD23 LEU 14 -4.989 2.942 -3.803 521 H ASP 15 HN ASP 15 -1.411 5.422 -5.962 522 HA ASP 15 HA ASP 15 0.966 4.797 -7.274 523 1HB ASP 15 HB2 ASP 15 -0.814 6.144 -8.288 524 2HB ASP 15 HB1 ASP 15 -0.475 7.452 -7.161 525 H GLU 16 HN GLU 16 0.346 7.330 -4.840 526 HA GLU 16 HA GLU 16 2.965 8.347 -4.813 527 1HB GLU 16 HB1 GLU 16 0.868 8.358 -2.640 528 2HB GLU 16 HB2 GLU 16 2.362 9.280 -2.580 529 1HG GLU 16 HG1 GLU 16 1.647 10.410 -4.692 530 2HG GLU 16 HG2 GLU 16 0.089 9.605 -4.517 531 H LEU 17 HN LEU 17 1.421 5.809 -2.879 532 HA LEU 17 HA LEU 17 3.564 5.331 -1.124 533 1HB LEU 17 HB1 LEU 17 1.286 4.450 -0.792 534 2HB LEU 17 HB2 LEU 17 1.515 3.366 -2.147 535 HG LEU 17 HG LEU 17 3.103 2.057 -0.970 536 1HD1 LEU 17 HD11 LEU 17 4.019 4.314 0.143 537 2HD1 LEU 17 HD12 LEU 17 4.372 2.712 0.790 538 3HD1 LEU 17 HD13 LEU 17 3.083 3.686 1.501 539 1HD2 LEU 17 HD21 LEU 17 1.189 1.222 -0.120 540 2HD2 LEU 17 HD22 LEU 17 0.619 2.799 0.432 541 3HD2 LEU 17 HD23 LEU 17 1.812 1.909 1.380 542 H GLU 18 HN GLU 18 2.784 3.976 -4.311 543 HA GLU 18 HA GLU 18 4.839 2.049 -4.384 544 1HB GLU 18 HB2 GLU 18 2.807 2.265 -5.930 545 2HB GLU 18 HB1 GLU 18 3.750 3.459 -6.812 546 1HG GLU 18 HG1 GLU 18 5.524 1.724 -7.086 547 2HG GLU 18 HG2 GLU 18 4.407 0.559 -6.395 548 H LYS 19 HN LYS 19 4.671 5.240 -5.962 549 HA LYS 19 HA LYS 19 7.277 5.298 -6.927 550 1HB LYS 19 HB1 LYS 19 5.602 7.631 -5.972 551 2HB LYS 19 HB2 LYS 19 7.018 7.745 -7.008 552 1HG LYS 19 HG1 LYS 19 5.840 6.395 -8.709 553 2HG LYS 19 HG2 LYS 19 4.409 6.400 -7.676 554 1HD LYS 19 HD2 LYS 19 4.205 8.105 -9.380 555 2HD LYS 19 HD1 LYS 19 4.354 8.851 -7.789 556 1HE LYS 19 HE2 LYS 19 5.714 10.061 -9.367 557 2HE LYS 19 HE1 LYS 19 6.754 9.220 -8.219 558 1HZ LYS 19 HZ1 LYS 19 7.587 8.989 -10.461 559 2HZ LYS 19 HZ2 LYS 19 6.123 8.318 -10.976 560 3HZ LYS 19 HZ3 LYS 19 7.095 7.481 -9.874 561 H ALA 20 HN ALA 20 5.975 5.944 -3.772 562 HA ALA 20 HA ALA 20 8.255 7.184 -2.648 563 1HB ALA 20 HB1 ALA 20 7.122 7.134 -0.654 564 2HB ALA 20 HB2 ALA 20 6.387 5.566 -0.985 565 3HB ALA 20 HB3 ALA 20 5.785 7.011 -1.797 566 H LEU 21 HN LEU 21 7.094 3.805 -2.619 567 HA LEU 21 HA LEU 21 9.179 2.755 -1.067 568 1HB LEU 21 HB1 LEU 21 7.711 1.359 -3.296 569 2HB LEU 21 HB2 LEU 21 8.662 0.580 -2.049 570 HG LEU 21 HG LEU 21 5.888 1.488 -2.006 571 1HD1 LEU 21 HD21 LEU 21 7.583 -0.499 -0.545 572 2HD1 LEU 21 HD22 LEU 21 6.316 -0.798 -1.732 573 3HD1 LEU 21 HD23 LEU 21 5.897 -0.210 -0.123 574 1HD2 LEU 21 HD11 LEU 21 5.792 2.204 0.252 575 2HD2 LEU 21 HD12 LEU 21 6.996 3.209 -0.554 576 3HD2 LEU 21 HD13 LEU 21 7.509 1.883 0.491 577 H GLU 22 HN GLU 22 8.916 3.370 -4.530 578 HA GLU 22 HA GLU 22 11.089 2.047 -5.528 579 1HB GLU 22 HB2 GLU 22 10.210 4.862 -6.211 580 2HB GLU 22 HB1 GLU 22 11.305 3.889 -7.184 581 1HG GLU 22 HG1 GLU 22 9.512 2.222 -7.476 582 2HG GLU 22 HG2 GLU 22 8.422 3.275 -6.578 583 H ALA 23 HN ALA 23 11.015 4.939 -3.570 584 HA ALA 23 HA ALA 23 13.814 5.508 -3.799 585 1HB ALA 23 HB1 ALA 23 11.502 6.652 -2.421 586 2HB ALA 23 HB2 ALA 23 12.906 7.446 -3.132 587 3HB ALA 23 HB3 ALA 23 13.006 6.765 -1.507 588 H LEU 24 HN LEU 24 11.738 4.015 -1.319 589 HA LEU 24 HA LEU 24 14.034 3.269 0.301 590 1HB LEU 24 HB2 LEU 24 11.119 2.535 0.628 591 2HB LEU 24 HB1 LEU 24 12.383 2.241 1.798 592 HG LEU 24 HG LEU 24 11.042 4.099 2.509 593 1HD1 LEU 24 HD21 LEU 24 12.844 5.935 2.432 594 2HD1 LEU 24 HD22 LEU 24 13.823 4.715 1.617 595 3HD1 LEU 24 HD23 LEU 24 13.207 4.412 3.241 596 1HD2 LEU 24 HD11 LEU 24 10.387 4.645 0.099 597 2HD2 LEU 24 HD12 LEU 24 11.840 5.646 0.082 598 3HD2 LEU 24 HD13 LEU 24 10.555 5.977 1.245 599 H SER 25 HN SER 25 13.106 2.130 -2.497 600 HA SER 25 HA SER 25 12.359 -0.484 -2.330 601 1HB SER 25 HB2 SER 25 13.375 -0.833 -4.495 602 2HB SER 25 HB1 SER 25 12.637 0.764 -4.435 603 HG SER 25 HG SER 25 14.569 1.251 -5.211 604 H ALA 26 HN ALA 26 13.277 -1.276 -0.391 605 HA ALA 26 HA ALA 26 14.755 -2.426 0.893 606 1HB ALA 26 HB1 ALA 26 15.969 -3.551 -1.583 607 2HB ALA 26 HB2 ALA 26 14.256 -3.828 -1.265 608 3HB ALA 26 HB3 ALA 26 15.468 -4.364 -0.100 609 H GLU 27 HN GLU 27 15.676 0.190 0.322 610 HA GLU 27 HA GLU 27 18.404 0.114 -0.515 611 1HB GLU 27 HB1 GLU 27 16.730 2.240 0.794 612 2HB GLU 27 HB2 GLU 27 18.442 2.470 0.471 613 1HG GLU 27 HG2 GLU 27 17.847 1.817 -1.947 614 2HG GLU 27 HG1 GLU 27 16.186 2.155 -1.465 615 H ASP 28 HN ASP 28 16.784 -0.154 2.575 616 HA ASP 28 HA ASP 28 19.295 -0.934 3.789 617 1HB ASP 28 HB1 ASP 28 19.234 1.543 4.044 618 2HB ASP 28 HB2 ASP 28 17.729 1.385 4.940 619 H GLY 29 HN GLY 29 17.359 -2.669 3.365 620 1HA GLY 29 HA1 GLY 29 15.973 -4.199 4.374 621 2HA GLY 29 HA2 GLY 29 16.737 -3.707 5.879 622 H HIS 30 HN HIS 30 14.598 -2.042 3.588 623 HA HIS 30 HA HIS 30 13.114 -0.816 5.694 624 1HB HIS 30 HB2 HIS 30 12.898 -0.859 2.702 625 2HB HIS 30 HB1 HIS 30 11.642 -0.100 3.669 626 HD1 HIS 30 HD1 HIS 30 13.020 1.546 5.655 627 HD2 HIS 30 HD2 HIS 30 14.573 1.050 1.832 628 HE1 HIS 30 HE1 HIS 30 14.573 3.492 5.306 629 HE2 HIS 30 HE2 HIS 30 15.455 3.205 2.963 630 H ASP 31 HN ASP 31 13.009 -3.620 5.962 631 HA ASP 31 HA ASP 31 10.818 -4.934 4.939 632 1HB ASP 31 HB1 ASP 31 12.428 -6.079 6.341 633 2HB ASP 31 HB2 ASP 31 11.982 -5.091 7.727 634 H ASP 32 HN ASP 32 10.950 -2.434 7.363 635 HA ASP 32 HA ASP 32 8.472 -2.710 8.576 636 1HB ASP 32 HB2 ASP 32 9.924 -0.148 7.881 637 2HB ASP 32 HB1 ASP 32 8.617 -0.293 9.052 638 H VAL 33 HN VAL 33 9.321 -1.083 5.537 639 HA VAL 33 HA VAL 33 6.812 0.023 4.983 640 HB VAL 33 HB VAL 33 8.686 -1.006 2.864 641 1HG1 VAL 33 HG21 VAL 33 6.238 0.057 2.585 642 2HG1 VAL 33 HG22 VAL 33 7.534 0.273 1.410 643 3HG1 VAL 33 HG23 VAL 33 7.206 1.532 2.604 644 1HG2 VAL 33 HG11 VAL 33 8.959 1.801 3.564 645 2HG2 VAL 33 HG12 VAL 33 10.199 0.570 3.329 646 3HG2 VAL 33 HG13 VAL 33 9.404 0.732 4.894 647 H GLY 34 HN GLY 34 8.149 -3.165 4.343 648 1HA GLY 34 HA1 GLY 34 5.973 -4.119 2.782 649 2HA GLY 34 HA2 GLY 34 7.185 -5.107 3.580 650 H GLN 35 HN GLN 35 6.692 -4.163 6.227 651 HA GLN 35 HA GLN 35 4.676 -5.947 7.016 652 1HB GLN 35 HB2 GLN 35 6.604 -5.138 8.417 653 2HB GLN 35 HB1 GLN 35 5.741 -3.620 8.622 654 1HG GLN 35 HG1 GLN 35 5.409 -5.004 10.550 655 2HG GLN 35 HG2 GLN 35 3.889 -4.844 9.671 656 1HE2 GLN 35 HE22 GLN 35 5.747 -6.956 11.293 657 2HE2 GLN 35 HE21 GLN 35 5.245 -8.436 10.559 658 H ARG 36 HN ARG 36 4.684 -2.407 6.735 659 HA ARG 36 HA ARG 36 1.962 -2.119 7.557 660 1HB ARG 36 HB1 ARG 36 3.776 -0.205 6.076 661 2HB ARG 36 HB2 ARG 36 2.209 0.212 6.758 662 1HG ARG 36 HG1 ARG 36 3.066 -0.372 8.997 663 2HG ARG 36 HG2 ARG 36 4.647 -0.679 8.279 664 1HD ARG 36 HD1 ARG 36 4.768 1.627 7.520 665 2HD ARG 36 HD2 ARG 36 3.171 1.946 8.192 666 HE ARG 36 HE ARG 36 5.633 1.943 9.600 667 1HH1 ARG 36 HH11 ARG 36 2.253 1.155 9.934 668 2HH1 ARG 36 HH12 ARG 36 2.250 1.341 11.655 669 1HH2 ARG 36 HH21 ARG 36 5.636 2.185 11.864 670 2HH2 ARG 36 HH22 ARG 36 4.172 1.927 12.753 671 H LEU 37 HN LEU 37 3.636 -2.100 4.440 672 HA LEU 37 HA LEU 37 1.451 -1.559 2.785 673 1HB LEU 37 HB1 LEU 37 3.886 -1.608 2.144 674 2HB LEU 37 HB2 LEU 37 3.789 -3.354 2.138 675 HG LEU 37 HG LEU 37 2.243 -3.314 0.278 676 1HD1 LEU 37 HD11 LEU 37 1.615 -0.754 1.163 677 2HD1 LEU 37 HD12 LEU 37 0.981 -1.569 -0.269 678 3HD1 LEU 37 HD13 LEU 37 2.395 -0.520 -0.401 679 1HD2 LEU 37 HD21 LEU 37 3.773 -1.886 -1.322 680 2HD2 LEU 37 HD22 LEU 37 4.344 -3.393 -0.600 681 3HD2 LEU 37 HD23 LEU 37 4.815 -1.844 0.102 682 H GLU 38 HN GLU 38 2.649 -4.551 4.171 683 HA GLU 38 HA GLU 38 0.842 -6.266 2.785 684 1HB GLU 38 HB2 GLU 38 3.099 -6.734 4.153 685 2HB GLU 38 HB1 GLU 38 1.941 -7.061 5.435 686 1HG GLU 38 HG2 GLU 38 0.799 -8.608 3.774 687 2HG GLU 38 HG1 GLU 38 2.251 -8.450 2.801 688 H SER 39 HN SER 39 0.910 -4.704 5.946 689 HA SER 39 HA SER 39 -1.397 -5.841 7.044 690 1HB SER 39 HB1 SER 39 0.188 -4.523 8.378 691 2HB SER 39 HB2 SER 39 -0.255 -3.069 7.485 692 HG SER 39 HG SER 39 -1.559 -4.337 9.538 693 H LEU 40 HN LEU 40 -0.928 -3.147 4.845 694 HA LEU 40 HA LEU 40 -3.444 -1.977 4.906 695 1HB LEU 40 HB1 LEU 40 -1.605 -2.376 2.544 696 2HB LEU 40 HB2 LEU 40 -2.994 -1.309 2.550 697 HG LEU 40 HG LEU 40 -0.538 -1.010 4.281 698 1HD1 LEU 40 HD21 LEU 40 0.039 0.830 2.892 699 2HD1 LEU 40 HD22 LEU 40 -1.490 0.734 2.019 700 3HD1 LEU 40 HD23 LEU 40 -0.283 -0.539 1.828 701 1HD2 LEU 40 HD11 LEU 40 -1.508 0.760 5.327 702 2HD2 LEU 40 HD12 LEU 40 -2.953 -0.207 5.031 703 3HD2 LEU 40 HD13 LEU 40 -2.556 1.137 3.960 704 H LEU 41 HN LEU 41 -2.264 -4.658 2.911 705 HA LEU 41 HA LEU 41 -4.800 -5.109 1.680 706 1HB LEU 41 HB1 LEU 41 -2.156 -6.483 1.654 707 2HB LEU 41 HB2 LEU 41 -3.562 -7.329 1.043 708 HG LEU 41 HG LEU 41 -2.722 -4.614 0.055 709 1HD1 LEU 41 HD21 LEU 41 -0.971 -6.315 -0.375 710 2HD1 LEU 41 HD22 LEU 41 -1.720 -5.673 -1.839 711 3HD1 LEU 41 HD23 LEU 41 -2.173 -7.272 -1.245 712 1HD2 LEU 41 HD11 LEU 41 -4.560 -4.665 -1.183 713 2HD2 LEU 41 HD12 LEU 41 -5.083 -6.051 -0.226 714 3HD2 LEU 41 HD13 LEU 41 -4.218 -6.303 -1.743 715 H ARG 42 HN ARG 42 -3.019 -6.692 4.316 716 HA ARG 42 HA ARG 42 -4.677 -8.885 4.682 717 1HB ARG 42 HB2 ARG 42 -2.519 -8.407 5.901 718 2HB ARG 42 HB1 ARG 42 -3.410 -7.280 6.913 719 1HG ARG 42 HG2 ARG 42 -4.210 -10.160 6.673 720 2HG ARG 42 HG1 ARG 42 -2.992 -9.618 7.828 721 1HD ARG 42 HD1 ARG 42 -4.609 -8.110 8.848 722 2HD ARG 42 HD2 ARG 42 -5.827 -8.604 7.674 723 HE ARG 42 HE ARG 42 -6.284 -10.345 9.054 724 1HH1 ARG 42 HH11 ARG 42 -2.934 -9.483 9.502 725 2HH1 ARG 42 HH12 ARG 42 -2.652 -10.696 10.706 726 1HH2 ARG 42 HH21 ARG 42 -5.919 -11.939 10.639 727 2HH2 ARG 42 HH22 ARG 42 -4.348 -12.090 11.352 728 H ARG 43 HN ARG 43 -5.048 -5.547 5.667 729 HA ARG 43 HA ARG 43 -7.558 -6.055 7.035 730 1HB ARG 43 HB1 ARG 43 -6.197 -3.426 6.408 731 2HB ARG 43 HB2 ARG 43 -7.546 -3.661 7.509 732 1HG ARG 43 HG1 ARG 43 -4.765 -4.761 7.857 733 2HG ARG 43 HG2 ARG 43 -5.463 -3.394 8.724 734 1HD ARG 43 HD1 ARG 43 -7.166 -4.880 9.677 735 2HD ARG 43 HD2 ARG 43 -6.444 -6.244 8.825 736 HE ARG 43 HE ARG 43 -4.469 -5.011 10.386 737 1HH1 ARG 43 HH11 ARG 43 -7.384 -6.884 10.760 738 2HH1 ARG 43 HH12 ARG 43 -6.897 -7.579 12.270 739 1HH2 ARG 43 HH21 ARG 43 -3.820 -5.921 12.372 740 2HH2 ARG 43 HH22 ARG 43 -4.872 -7.031 13.187 741 H TRP 44 HN TRP 44 -6.377 -4.597 4.057 742 HA TRP 44 HA TRP 44 -8.729 -3.449 3.086 743 1HB TRP 44 HB2 TRP 44 -6.560 -3.026 2.074 744 2HB TRP 44 HB1 TRP 44 -6.433 -4.708 1.574 745 HD1 TRP 44 HD1 TRP 44 -6.589 -4.661 -0.979 746 HE1 TRP 44 HE1 TRP 44 -8.209 -3.652 -2.699 747 HE3 TRP 44 HE3 TRP 44 -9.538 -1.914 2.180 748 HZ2 TRP 44 HZ2 TRP 44 -10.413 -1.919 -2.719 749 HZ3 TRP 44 HZ3 TRP 44 -11.378 -0.607 1.199 750 HH2 TRP 44 HH2 TRP 44 -11.810 -0.611 -1.187 751 H ASN 45 HN ASN 45 -7.333 -6.605 2.206 752 HA ASN 45 HA ASN 45 -9.541 -7.527 0.743 753 1HB ASN 45 HB2 ASN 45 -7.361 -9.086 2.148 754 2HB ASN 45 HB1 ASN 45 -8.482 -9.762 0.971 755 1HD2 ASN 45 HD22 ASN 45 -5.460 -8.595 1.354 756 2HD2 ASN 45 HD21 ASN 45 -5.124 -8.098 -0.264 757 H SER 46 HN SER 46 -8.656 -7.909 4.148 758 HA SER 46 HA SER 46 -10.526 -9.809 4.911 759 1HB SER 46 HB1 SER 46 -8.763 -9.010 6.415 760 2HB SER 46 HB2 SER 46 -9.541 -7.432 6.507 761 HG SER 46 HG SER 46 -10.179 -9.796 7.771 762 H ARG 47 HN ARG 47 -10.876 -6.286 4.728 763 HA ARG 47 HA ARG 47 -13.522 -6.159 5.669 764 1HB ARG 47 HB2 ARG 47 -11.927 -4.318 3.890 765 2HB ARG 47 HB1 ARG 47 -13.559 -3.943 4.427 766 1HG ARG 47 HG2 ARG 47 -12.853 -3.969 6.733 767 2HG ARG 47 HG1 ARG 47 -11.231 -4.477 6.260 768 1HD ARG 47 HD2 ARG 47 -10.836 -2.397 5.142 769 2HD ARG 47 HD1 ARG 47 -12.510 -1.902 5.368 770 HE ARG 47 HE ARG 47 -11.852 -1.048 7.364 771 1HH1 ARG 47 HH11 ARG 47 -9.802 -3.781 6.659 772 2HH1 ARG 47 HH12 ARG 47 -8.886 -3.629 8.120 773 1HH2 ARG 47 HH21 ARG 47 -10.647 -0.845 9.285 774 2HH2 ARG 47 HH22 ARG 47 -9.365 -1.963 9.610 775 H ARG 48 HN ARG 48 -12.174 -6.703 2.466 776 HA ARG 48 HA ARG 48 -14.462 -6.384 0.911 777 1HB ARG 48 HB1 ARG 48 -12.200 -8.360 0.564 778 2HB ARG 48 HB2 ARG 48 -13.384 -7.968 -0.671 779 1HG ARG 48 HG1 ARG 48 -12.600 -5.676 -0.739 780 2HG ARG 48 HG2 ARG 48 -11.454 -6.014 0.561 781 1HD ARG 48 HD2 ARG 48 -10.386 -6.041 -1.655 782 2HD ARG 48 HD1 ARG 48 -10.280 -7.601 -0.840 783 HE ARG 48 HE ARG 48 -12.558 -7.582 -2.478 784 1HH1 ARG 48 HH11 ARG 48 -9.082 -7.602 -2.726 785 2HH1 ARG 48 HH12 ARG 48 -9.066 -8.430 -4.247 786 1HH2 ARG 48 HH21 ARG 48 -12.547 -8.674 -4.480 787 2HH2 ARG 48 HH22 ARG 48 -11.036 -9.039 -5.245 788 H ALA 49 HN ALA 49 -13.249 -9.267 2.583 789 HA ALA 49 HA ALA 49 -15.282 -11.031 1.784 790 1HB ALA 49 HB1 ALA 49 -14.570 -12.082 4.143 791 2HB ALA 49 HB2 ALA 49 -13.207 -10.991 3.889 792 3HB ALA 49 HB3 ALA 49 -13.585 -12.227 2.688 793 H ASP 50 HN ASP 50 -15.059 -8.731 4.425 794 HA ASP 50 HA ASP 50 -17.459 -9.608 5.728 795 1HB ASP 50 HB2 ASP 50 -15.868 -7.052 6.044 796 2HB ASP 50 HB1 ASP 50 -17.168 -7.577 7.109 797 H ALA 51 HN ALA 51 -18.098 -9.246 3.094 798 HA ALA 51 HA ALA 51 -20.295 -7.464 3.250 799 1HB ALA 51 HB1 ALA 51 -19.373 -5.562 2.561 800 2HB ALA 51 HB2 ALA 51 -19.060 -6.338 1.009 801 3HB ALA 51 HB3 ALA 51 -17.826 -6.357 2.269 802 HA PRO 52 HA PRO 52 -21.412 -10.466 0.156 803 1HB PRO 52 HB2 PRO 52 -23.949 -9.681 -0.252 804 2HB PRO 52 HB1 PRO 52 -23.448 -10.476 1.246 805 1HG PRO 52 HG1 PRO 52 -23.880 -7.563 0.697 806 2HG PRO 52 HG2 PRO 52 -24.370 -8.519 2.107 807 1HD PRO 52 HD1 PRO 52 -22.154 -6.919 2.059 808 2HD PRO 52 HD2 PRO 52 -22.302 -8.357 3.085 809 H SER 53 HN SER 53 -19.851 -8.314 -0.828 810 HA SER 53 HA SER 53 -19.356 -7.193 -2.742 811 1HB SER 53 HB2 SER 53 -21.436 -9.059 -3.911 812 2HB SER 53 HB1 SER 53 -20.282 -8.109 -4.844 813 HG SER 53 HG SER 53 -19.041 -9.783 -4.605 814 H THR 54 HN THR 54 -20.987 -5.775 -1.133 815 HA THR 54 HA THR 54 -23.430 -4.903 -2.138 816 HB THR 54 HB THR 54 -23.082 -2.845 -0.830 817 HG1 THR 54 HG1 THR 54 -20.428 -3.767 -0.876 818 1HG2 THR 54 HG21 THR 54 -23.453 -5.313 0.143 819 2HG2 THR 54 HG22 THR 54 -23.349 -3.886 1.174 820 3HG2 THR 54 HG23 THR 54 -21.936 -4.916 0.950 821 H SER 55 HN SER 55 -24.059 -3.449 -3.644 822 HA SER 55 HA SER 55 -22.395 -1.457 -4.767 823 1HB SER 55 HB2 SER 55 -21.297 -3.362 -5.849 824 2HB SER 55 HB1 SER 55 -22.849 -3.914 -6.481 825 HG SER 55 HG SER 55 -21.304 -2.469 -7.799 826 H ALA 56 HN ALA 56 -23.597 0.039 -5.811 827 HA ALA 56 HA ALA 56 -25.431 1.147 -6.565 828 1HB ALA 56 HB1 ALA 56 -25.324 -1.278 -7.996 829 2HB ALA 56 HB2 ALA 56 -26.096 0.234 -8.473 830 3HB ALA 56 HB3 ALA 56 -27.018 -0.991 -7.600 831 H ILE 57 HN ILE 57 -25.526 0.565 -3.898 832 HA ILE 57 HA ILE 57 -27.793 -0.802 -2.986 833 HB ILE 57 HB ILE 57 -26.027 -0.135 -1.455 834 1HG1 ILE 57 HG12 ILE 57 -28.759 1.023 -0.893 835 2HG1 ILE 57 HG11 ILE 57 -28.141 -0.555 -0.425 836 1HG2 ILE 57 HG21 ILE 57 -26.962 2.695 -1.915 837 2HG2 ILE 57 HG22 ILE 57 -25.448 2.002 -2.497 838 3HG2 ILE 57 HG23 ILE 57 -25.727 2.183 -0.765 839 1HD1 ILE 57 HD11 ILE 57 -26.399 1.284 0.730 840 2HD1 ILE 57 HD12 ILE 57 -27.632 0.313 1.536 841 3HD1 ILE 57 HD13 ILE 57 -28.018 1.938 0.974 842 H SER 58 HN SER 58 -29.888 -0.223 -2.632 843 HA SER 58 HA SER 58 -30.889 2.407 -2.673 844 1HB SER 58 HB2 SER 58 -30.343 2.296 -5.073 845 2HB SER 58 HB1 SER 58 -31.340 0.850 -5.233 846 HG SER 58 HG SER 58 -32.180 3.477 -4.586 847 H GLU 59 HN GLU 59 -31.218 0.230 -1.012 848 HA GLU 59 HA GLU 59 -33.518 -1.313 -1.508 849 1HB GLU 59 HB2 GLU 59 -31.871 -1.896 0.212 850 2HB GLU 59 HB1 GLU 59 -32.316 -0.468 1.136 851 1HG GLU 59 HG1 GLU 59 -34.566 -1.364 1.443 852 2HG GLU 59 HG2 GLU 59 -34.121 -2.795 0.515 853 H ASP 60 HN ASP 60 -35.644 -0.948 -1.221 854 HA ASP 60 HA ASP 60 -36.751 1.008 0.482 855 1HB ASP 60 HB2 ASP 60 -35.847 2.586 -1.160 856 2HB ASP 60 HB1 ASP 60 -36.688 1.740 -2.454 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 0.974 22.645 -5.909 2 2H GLY 1 HT2 GLY 1 2.334 22.896 -6.881 3 3H GLY 1 HT3 GLY 1 2.314 23.475 -5.292 4 1HA GLY 1 HA1 GLY 1 1.866 20.915 -4.806 5 2HA GLY 1 HA2 GLY 1 2.797 20.782 -6.290 6 H SER 2 HN SER 2 3.248 20.320 -3.251 7 HA SER 2 HA SER 2 6.028 20.787 -3.278 8 1HB SER 2 HB1 SER 2 5.393 23.127 -2.923 9 2HB SER 2 HB2 SER 2 4.425 22.665 -1.526 10 HG SER 2 HG SER 2 6.890 21.689 -1.230 11 H ALA 3 HN ALA 3 3.180 20.476 -1.190 12 HA ALA 3 HA ALA 3 4.440 19.235 0.985 13 1HB ALA 3 HB1 ALA 3 1.847 20.008 0.331 14 2HB ALA 3 HB2 ALA 3 2.395 19.314 1.857 15 3HB ALA 3 HB3 ALA 3 1.747 18.267 0.595 16 H ALA 4 HN ALA 4 2.899 17.857 -1.898 17 HA ALA 4 HA ALA 4 3.129 15.156 -1.192 18 1HB ALA 4 HB1 ALA 4 1.985 16.456 -3.246 19 2HB ALA 4 HB2 ALA 4 2.301 14.721 -3.248 20 3HB ALA 4 HB3 ALA 4 3.421 15.822 -4.051 21 H SER 5 HN SER 5 4.737 13.708 -1.278 22 HA SER 5 HA SER 5 7.019 13.862 -2.913 23 1HB SER 5 HB2 SER 5 8.735 14.336 -1.183 24 2HB SER 5 HB1 SER 5 7.681 15.721 -1.472 25 HG SER 5 HG SER 5 7.604 13.898 0.694 26 HA PRO 6 HA PRO 6 6.844 9.652 -1.519 27 1HB PRO 6 HB2 PRO 6 9.340 9.101 -2.852 28 2HB PRO 6 HB1 PRO 6 7.710 8.625 -3.320 29 1HG PRO 6 HG2 PRO 6 9.234 10.451 -4.698 30 2HG PRO 6 HG1 PRO 6 7.467 10.376 -4.752 31 1HD PRO 6 HD2 PRO 6 9.240 12.240 -3.252 32 2HD PRO 6 HD1 PRO 6 7.656 12.537 -3.997 33 H ALA 7 HN ALA 7 8.149 8.076 -0.354 34 HA ALA 7 HA ALA 7 9.411 7.466 1.429 35 1HB ALA 7 HB1 ALA 7 11.390 7.526 0.303 36 2HB ALA 7 HB2 ALA 7 11.715 8.807 1.470 37 3HB ALA 7 HB3 ALA 7 11.201 9.214 -0.167 38 H VAL 8 HN VAL 8 7.474 9.398 1.820 39 HA VAL 8 HA VAL 8 8.470 11.387 3.614 40 HB VAL 8 HB VAL 8 6.500 11.887 2.259 41 1HG1 VAL 8 HG11 VAL 8 4.357 10.659 3.365 42 2HG1 VAL 8 HG12 VAL 8 5.559 9.370 3.442 43 3HG1 VAL 8 HG13 VAL 8 5.165 10.119 1.893 44 1HG2 VAL 8 HG21 VAL 8 6.741 13.085 4.337 45 2HG2 VAL 8 HG22 VAL 8 5.953 11.777 5.220 46 3HG2 VAL 8 HG23 VAL 8 5.035 12.735 4.058 47 H ASP 9 HN ASP 9 9.507 9.257 4.469 48 HA ASP 9 HA ASP 9 9.873 8.042 6.333 49 1HB ASP 9 HB2 ASP 9 7.228 9.175 7.242 50 2HB ASP 9 HB1 ASP 9 8.258 8.155 8.237 51 H ILE 10 HN ILE 10 7.935 7.752 3.983 52 HA ILE 10 HA ILE 10 6.765 6.266 2.878 53 HB ILE 10 HB ILE 10 9.000 5.158 3.533 54 1HG1 ILE 10 HG11 ILE 10 8.377 3.311 2.100 55 2HG1 ILE 10 HG12 ILE 10 6.675 3.635 2.384 56 1HG2 ILE 10 HG21 ILE 10 9.012 3.547 5.049 57 2HG2 ILE 10 HG22 ILE 10 7.500 2.859 4.453 58 3HG2 ILE 10 HG23 ILE 10 7.468 4.206 5.590 59 1HD1 ILE 10 HD11 ILE 10 7.404 4.511 0.220 60 2HD1 ILE 10 HD12 ILE 10 8.612 5.511 1.036 61 3HD1 ILE 10 HD13 ILE 10 6.891 5.809 1.309 62 H GLY 11 HN GLY 11 6.615 5.256 6.315 63 1HA GLY 11 HA2 GLY 11 4.197 3.845 6.029 64 2HA GLY 11 HA1 GLY 11 4.827 4.465 7.531 65 H ASP 12 HN ASP 12 4.870 7.094 5.834 66 HA ASP 12 HA ASP 12 2.460 8.081 6.936 67 1HB ASP 12 HB1 ASP 12 4.572 9.172 5.076 68 2HB ASP 12 HB2 ASP 12 3.145 10.103 5.523 69 H ARG 13 HN ARG 13 3.634 7.103 3.824 70 HA ARG 13 HA ARG 13 1.446 7.899 2.230 71 1HB ARG 13 HB2 ARG 13 3.487 5.690 1.966 72 2HB ARG 13 HB1 ARG 13 2.503 6.308 0.663 73 1HG ARG 13 HG1 ARG 13 3.716 8.552 1.737 74 2HG ARG 13 HG2 ARG 13 4.961 7.307 1.787 75 1HD ARG 13 HD2 ARG 13 5.188 8.383 -0.293 76 2HD ARG 13 HD1 ARG 13 4.426 6.829 -0.618 77 HE ARG 13 HE ARG 13 2.681 7.975 -1.511 78 1HH1 ARG 13 HH11 ARG 13 4.232 10.043 0.826 79 2HH1 ARG 13 HH12 ARG 13 3.134 11.360 0.582 80 1HH2 ARG 13 HH21 ARG 13 1.226 9.707 -1.831 81 2HH2 ARG 13 HH22 ARG 13 1.430 11.170 -0.926 82 H LEU 14 HN LEU 14 2.478 4.946 3.651 83 HA LEU 14 HA LEU 14 0.481 3.150 2.997 84 1HB LEU 14 HB2 LEU 14 2.443 3.568 5.186 85 2HB LEU 14 HB1 LEU 14 1.450 2.145 5.191 86 HG LEU 14 HG LEU 14 2.930 2.764 2.695 87 1HD1 LEU 14 HD11 LEU 14 4.741 3.186 3.997 88 2HD1 LEU 14 HD12 LEU 14 4.861 1.427 3.840 89 3HD1 LEU 14 HD13 LEU 14 4.181 2.139 5.309 90 1HD2 LEU 14 HD21 LEU 14 3.282 0.258 2.853 91 2HD2 LEU 14 HD22 LEU 14 1.624 0.820 2.628 92 3HD2 LEU 14 HD23 LEU 14 2.169 0.298 4.222 93 H ASP 15 HN ASP 15 0.930 4.999 5.974 94 HA ASP 15 HA ASP 15 -1.288 4.156 7.387 95 1HB ASP 15 HB1 ASP 15 0.671 5.677 8.108 96 2HB ASP 15 HB2 ASP 15 -0.288 6.999 7.453 97 H GLU 16 HN GLU 16 -0.955 6.985 5.294 98 HA GLU 16 HA GLU 16 -3.630 7.806 5.443 99 1HB GLU 16 HB2 GLU 16 -1.593 8.328 3.285 100 2HB GLU 16 HB1 GLU 16 -3.092 9.218 3.506 101 1HG GLU 16 HG2 GLU 16 -2.303 9.913 5.739 102 2HG GLU 16 HG1 GLU 16 -0.780 9.095 5.427 103 H LEU 17 HN LEU 17 -2.017 5.432 3.597 104 HA LEU 17 HA LEU 17 -3.838 5.156 1.441 105 1HB LEU 17 HB1 LEU 17 -1.389 4.317 1.723 106 2HB LEU 17 HB2 LEU 17 -2.088 2.969 2.583 107 HG LEU 17 HG LEU 17 -1.907 2.005 0.545 108 1HD1 LEU 17 HD21 LEU 17 -3.953 1.942 -0.650 109 2HD1 LEU 17 HD22 LEU 17 -4.421 3.535 -0.057 110 3HD1 LEU 17 HD23 LEU 17 -4.346 2.168 1.054 111 1HD2 LEU 17 HD11 LEU 17 -2.613 4.220 -1.224 112 2HD2 LEU 17 HD12 LEU 17 -1.279 3.069 -1.308 113 3HD2 LEU 17 HD13 LEU 17 -1.157 4.482 -0.261 114 H GLU 18 HN GLU 18 -3.423 3.530 4.518 115 HA GLU 18 HA GLU 18 -5.577 1.710 4.209 116 1HB GLU 18 HB2 GLU 18 -3.748 1.312 5.809 117 2HB GLU 18 HB1 GLU 18 -4.209 2.759 6.697 118 1HG GLU 18 HG2 GLU 18 -6.303 1.754 7.325 119 2HG GLU 18 HG1 GLU 18 -5.951 0.338 6.343 120 H LYS 19 HN LYS 19 -5.174 4.823 5.698 121 HA LYS 19 HA LYS 19 -7.710 4.997 6.793 122 1HB LYS 19 HB2 LYS 19 -5.928 7.214 5.818 123 2HB LYS 19 HB1 LYS 19 -7.259 7.385 6.964 124 1HG LYS 19 HG1 LYS 19 -5.087 5.430 7.475 125 2HG LYS 19 HG2 LYS 19 -4.818 7.144 7.819 126 1HD LYS 19 HD1 LYS 19 -6.813 7.126 9.273 127 2HD LYS 19 HD2 LYS 19 -7.031 5.411 8.924 128 1HE LYS 19 HE1 LYS 19 -4.823 4.955 9.913 129 2HE LYS 19 HE2 LYS 19 -4.664 6.663 10.310 130 1HZ LYS 19 HZ1 LYS 19 -6.967 6.187 11.471 131 2HZ LYS 19 HZ2 LYS 19 -5.498 5.899 12.259 132 3HZ LYS 19 HZ3 LYS 19 -6.340 4.617 11.548 133 H ALA 20 HN ALA 20 -6.383 5.773 3.660 134 HA ALA 20 HA ALA 20 -8.641 7.032 2.535 135 1HB ALA 20 HB1 ALA 20 -7.495 6.894 0.522 136 2HB ALA 20 HB2 ALA 20 -6.876 5.272 0.904 137 3HB ALA 20 HB3 ALA 20 -6.156 6.701 1.664 138 H LEU 21 HN LEU 21 -7.420 3.822 2.474 139 HA LEU 21 HA LEU 21 -9.303 2.522 0.981 140 1HB LEU 21 HB1 LEU 21 -7.055 1.973 2.465 141 2HB LEU 21 HB2 LEU 21 -8.303 1.005 3.158 142 HG LEU 21 HG LEU 21 -8.014 -0.461 1.600 143 1HD1 LEU 21 HD21 LEU 21 -9.771 0.944 0.539 144 2HD1 LEU 21 HD22 LEU 21 -8.833 -0.079 -0.559 145 3HD1 LEU 21 HD23 LEU 21 -8.486 1.647 -0.442 146 1HD2 LEU 21 HD11 LEU 21 -5.750 0.407 1.467 147 2HD2 LEU 21 HD12 LEU 21 -6.281 1.529 0.208 148 3HD2 LEU 21 HD13 LEU 21 -6.333 -0.218 -0.079 149 H GLU 22 HN GLU 22 -9.185 3.116 4.425 150 HA GLU 22 HA GLU 22 -11.323 1.703 5.290 151 1HB GLU 22 HB2 GLU 22 -10.414 4.450 6.124 152 2HB GLU 22 HB1 GLU 22 -11.662 3.560 6.988 153 1HG GLU 22 HG2 GLU 22 -10.045 1.767 7.439 154 2HG GLU 22 HG1 GLU 22 -8.801 2.705 6.618 155 H ALA 23 HN ALA 23 -11.215 4.582 3.461 156 HA ALA 23 HA ALA 23 -14.019 5.132 3.622 157 1HB ALA 23 HB1 ALA 23 -13.043 7.103 3.096 158 2HB ALA 23 HB2 ALA 23 -13.187 6.515 1.439 159 3HB ALA 23 HB3 ALA 23 -11.666 6.322 2.316 160 H LEU 24 HN LEU 24 -11.781 3.771 1.251 161 HA LEU 24 HA LEU 24 -13.849 3.063 -0.613 162 1HB LEU 24 HB1 LEU 24 -10.950 2.278 -0.434 163 2HB LEU 24 HB2 LEU 24 -12.006 1.802 -1.744 164 HG LEU 24 HG LEU 24 -10.508 3.677 -2.300 165 1HD1 LEU 24 HD21 LEU 24 -12.085 3.964 -3.801 166 2HD1 LEU 24 HD22 LEU 24 -12.709 5.245 -2.761 167 3HD1 LEU 24 HD23 LEU 24 -13.369 3.611 -2.643 168 1HD2 LEU 24 HD11 LEU 24 -10.841 5.849 -1.360 169 2HD2 LEU 24 HD12 LEU 24 -10.513 4.694 -0.066 170 3HD2 LEU 24 HD13 LEU 24 -12.163 5.248 -0.357 171 H SER 25 HN SER 25 -13.500 1.940 2.267 172 HA SER 25 HA SER 25 -12.941 -0.717 2.362 173 1HB SER 25 HB1 SER 25 -13.505 0.475 4.357 174 2HB SER 25 HB2 SER 25 -15.149 0.756 3.790 175 HG SER 25 HG SER 25 -15.651 -1.083 4.641 176 H ALA 26 HN ALA 26 -13.491 -1.622 0.342 177 HA ALA 26 HA ALA 26 -14.788 -2.734 -1.185 178 1HB ALA 26 HB1 ALA 26 -14.715 -4.161 0.904 179 2HB ALA 26 HB2 ALA 26 -16.007 -4.509 -0.247 180 3HB ALA 26 HB3 ALA 26 -16.352 -3.587 1.218 181 H GLU 27 HN GLU 27 -15.647 -0.075 -0.513 182 HA GLU 27 HA GLU 27 -18.407 0.177 -0.226 183 1HB GLU 27 HB1 GLU 27 -16.308 1.977 -1.364 184 2HB GLU 27 HB2 GLU 27 -17.994 2.456 -1.283 185 1HG GLU 27 HG1 GLU 27 -16.418 1.511 1.086 186 2HG GLU 27 HG2 GLU 27 -16.558 3.211 0.630 187 H ASP 28 HN ASP 28 -16.468 -0.284 -3.125 188 HA ASP 28 HA ASP 28 -18.870 -0.934 -4.580 189 1HB ASP 28 HB2 ASP 28 -18.429 1.614 -4.605 190 2HB ASP 28 HB1 ASP 28 -17.153 1.210 -5.741 191 H GLY 29 HN GLY 29 -16.968 -2.616 -3.985 192 1HA GLY 29 HA1 GLY 29 -15.553 -4.176 -4.857 193 2HA GLY 29 HA2 GLY 29 -16.246 -3.751 -6.411 194 H HIS 30 HN HIS 30 -14.188 -2.015 -4.092 195 HA HIS 30 HA HIS 30 -12.630 -0.941 -6.223 196 1HB HIS 30 HB1 HIS 30 -12.379 -0.731 -3.224 197 2HB HIS 30 HB2 HIS 30 -11.218 -0.001 -4.332 198 HD1 HIS 30 HD1 HIS 30 -12.597 1.492 -6.314 199 HD2 HIS 30 HD2 HIS 30 -14.280 1.098 -2.539 200 HE1 HIS 30 HE1 HIS 30 -14.251 3.372 -6.114 201 HE2 HIS 30 HE2 HIS 30 -15.333 3.048 -3.862 202 H ASP 31 HN ASP 31 -12.513 -3.612 -6.486 203 HA ASP 31 HA ASP 31 -10.418 -4.977 -5.259 204 1HB ASP 31 HB1 ASP 31 -12.057 -6.111 -6.663 205 2HB ASP 31 HB2 ASP 31 -11.482 -5.242 -8.080 206 H ASP 32 HN ASP 32 -10.362 -2.404 -7.512 207 HA ASP 32 HA ASP 32 -7.836 -2.846 -8.722 208 1HB ASP 32 HB1 ASP 32 -9.291 -0.242 -8.224 209 2HB ASP 32 HB2 ASP 32 -7.932 -0.458 -9.319 210 H VAL 33 HN VAL 33 -8.893 -1.460 -5.759 211 HA VAL 33 HA VAL 33 -6.549 -0.156 -5.039 212 HB VAL 33 HB VAL 33 -8.578 -1.475 -3.265 213 1HG1 VAL 33 HG21 VAL 33 -6.162 -0.516 -2.513 214 2HG1 VAL 33 HG22 VAL 33 -7.603 -0.471 -1.490 215 3HG1 VAL 33 HG23 VAL 33 -7.139 0.957 -2.414 216 1HG2 VAL 33 HG11 VAL 33 -8.587 1.432 -3.844 217 2HG2 VAL 33 HG12 VAL 33 -9.927 0.341 -3.491 218 3HG2 VAL 33 HG13 VAL 33 -9.182 0.335 -5.093 219 H GLY 34 HN GLY 34 -7.722 -3.427 -4.278 220 1HA GLY 34 HA2 GLY 34 -5.404 -4.205 -2.828 221 2HA GLY 34 HA1 GLY 34 -6.595 -5.292 -3.516 222 H GLN 35 HN GLN 35 -6.245 -4.097 -6.179 223 HA GLN 35 HA GLN 35 -4.197 -5.807 -7.108 224 1HB GLN 35 HB1 GLN 35 -5.709 -5.619 -8.783 225 2HB GLN 35 HB2 GLN 35 -6.222 -4.024 -8.262 226 1HG GLN 35 HG2 GLN 35 -4.460 -2.979 -9.411 227 2HG GLN 35 HG1 GLN 35 -3.650 -4.514 -9.724 228 1HE2 GLN 35 HE21 GLN 35 -6.912 -4.972 -10.071 229 2HE2 GLN 35 HE22 GLN 35 -7.046 -4.748 -11.775 230 H ARG 36 HN ARG 36 -4.443 -2.408 -6.449 231 HA ARG 36 HA ARG 36 -1.878 -1.749 -7.472 232 1HB ARG 36 HB2 ARG 36 -3.684 -0.222 -5.588 233 2HB ARG 36 HB1 ARG 36 -2.250 0.419 -6.376 234 1HG ARG 36 HG2 ARG 36 -4.622 -0.606 -7.888 235 2HG ARG 36 HG1 ARG 36 -4.403 1.084 -7.423 236 1HD ARG 36 HD2 ARG 36 -2.273 1.116 -8.602 237 2HD ARG 36 HD1 ARG 36 -2.508 -0.552 -9.080 238 HE ARG 36 HE ARG 36 -3.519 1.701 -10.408 239 1HH1 ARG 36 HH11 ARG 36 -4.571 -1.453 -9.362 240 2HH1 ARG 36 HH12 ARG 36 -5.756 -1.612 -10.613 241 1HH2 ARG 36 HH21 ARG 36 -5.076 1.496 -12.056 242 2HH2 ARG 36 HH22 ARG 36 -6.043 0.062 -12.144 243 H LEU 37 HN LEU 37 -3.381 -2.306 -4.363 244 HA LEU 37 HA LEU 37 -1.367 -1.857 -2.602 245 1HB LEU 37 HB2 LEU 37 -3.832 -3.436 -2.784 246 2HB LEU 37 HB1 LEU 37 -2.743 -3.853 -1.533 247 HG LEU 37 HG LEU 37 -3.757 -1.172 -1.957 248 1HD1 LEU 37 HD21 LEU 37 -5.059 -3.369 -0.785 249 2HD1 LEU 37 HD22 LEU 37 -5.604 -1.691 -0.845 250 3HD1 LEU 37 HD23 LEU 37 -4.623 -2.256 0.510 251 1HD2 LEU 37 HD11 LEU 37 -1.541 -1.326 -0.906 252 2HD2 LEU 37 HD12 LEU 37 -2.252 -2.331 0.359 253 3HD2 LEU 37 HD13 LEU 37 -2.754 -0.647 0.183 254 H GLU 38 HN GLU 38 -2.240 -4.829 -4.290 255 HA GLU 38 HA GLU 38 -0.236 -6.413 -3.136 256 1HB GLU 38 HB2 GLU 38 -2.340 -7.150 -4.378 257 2HB GLU 38 HB1 GLU 38 -1.442 -6.854 -5.854 258 1HG GLU 38 HG2 GLU 38 0.309 -8.441 -4.960 259 2HG GLU 38 HG1 GLU 38 -0.858 -8.877 -3.715 260 H SER 39 HN SER 39 -0.530 -4.860 -6.217 261 HA SER 39 HA SER 39 1.877 -5.463 -7.415 262 1HB SER 39 HB2 SER 39 0.038 -4.066 -8.412 263 2HB SER 39 HB1 SER 39 0.604 -2.715 -7.439 264 HG SER 39 HG SER 39 2.732 -3.585 -8.627 265 H LEU 40 HN LEU 40 1.182 -2.915 -5.075 266 HA LEU 40 HA LEU 40 3.566 -1.626 -4.910 267 1HB LEU 40 HB1 LEU 40 1.606 -2.378 -2.761 268 2HB LEU 40 HB2 LEU 40 2.939 -1.288 -2.507 269 HG LEU 40 HG LEU 40 0.682 -0.829 -4.441 270 1HD1 LEU 40 HD21 LEU 40 0.777 -0.546 -1.643 271 2HD1 LEU 40 HD22 LEU 40 -0.477 0.014 -2.751 272 3HD1 LEU 40 HD23 LEU 40 0.863 1.081 -2.325 273 1HD2 LEU 40 HD11 LEU 40 2.539 1.300 -3.536 274 2HD2 LEU 40 HD12 LEU 40 1.660 1.133 -5.055 275 3HD2 LEU 40 HD13 LEU 40 3.109 0.166 -4.765 276 H LEU 41 HN LEU 41 2.499 -4.401 -2.979 277 HA LEU 41 HA LEU 41 5.024 -4.768 -1.752 278 1HB LEU 41 HB2 LEU 41 2.458 -6.070 -1.774 279 2HB LEU 41 HB1 LEU 41 3.795 -7.109 -1.411 280 HG LEU 41 HG LEU 41 3.011 -4.603 0.072 281 1HD1 LEU 41 HD21 LEU 41 3.140 -7.446 1.042 282 2HD1 LEU 41 HD22 LEU 41 1.663 -6.705 0.422 283 3HD1 LEU 41 HD23 LEU 41 2.439 -6.054 1.865 284 1HD2 LEU 41 HD11 LEU 41 5.561 -5.492 -0.233 285 2HD2 LEU 41 HD12 LEU 41 5.049 -6.357 1.223 286 3HD2 LEU 41 HD13 LEU 41 4.961 -4.596 1.166 287 H ARG 42 HN ARG 42 3.296 -6.784 -4.124 288 HA ARG 42 HA ARG 42 5.181 -8.715 -4.437 289 1HB ARG 42 HB1 ARG 42 2.930 -8.567 -5.608 290 2HB ARG 42 HB2 ARG 42 3.675 -7.473 -6.761 291 1HG ARG 42 HG1 ARG 42 4.691 -10.259 -6.290 292 2HG ARG 42 HG2 ARG 42 3.433 -9.884 -7.468 293 1HD ARG 42 HD1 ARG 42 4.974 -8.337 -8.596 294 2HD ARG 42 HD2 ARG 42 6.231 -8.762 -7.437 295 HE ARG 42 HE ARG 42 5.268 -11.103 -8.654 296 1HH1 ARG 42 HH11 ARG 42 7.154 -8.267 -9.388 297 2HH1 ARG 42 HH12 ARG 42 8.077 -9.045 -10.629 298 1HH2 ARG 42 HH21 ARG 42 6.477 -12.135 -10.287 299 2HH2 ARG 42 HH22 ARG 42 7.691 -11.243 -11.142 300 H ARG 43 HN ARG 43 5.263 -5.430 -5.450 301 HA ARG 43 HA ARG 43 7.666 -5.787 -6.995 302 1HB ARG 43 HB1 ARG 43 6.174 -3.260 -6.291 303 2HB ARG 43 HB2 ARG 43 7.564 -3.346 -7.360 304 1HG ARG 43 HG2 ARG 43 4.840 -4.535 -7.820 305 2HG ARG 43 HG1 ARG 43 5.587 -3.196 -8.689 306 1HD ARG 43 HD2 ARG 43 7.351 -4.766 -9.466 307 2HD ARG 43 HD1 ARG 43 6.455 -6.078 -8.698 308 HE ARG 43 HE ARG 43 4.709 -4.747 -10.412 309 1HH1 ARG 43 HH11 ARG 43 7.606 -6.674 -10.599 310 2HH1 ARG 43 HH12 ARG 43 7.229 -7.320 -12.162 311 1HH2 ARG 43 HH21 ARG 43 4.206 -5.592 -12.468 312 2HH2 ARG 43 HH22 ARG 43 5.298 -6.704 -13.224 313 H TRP 44 HN TRP 44 6.567 -4.591 -3.910 314 HA TRP 44 HA TRP 44 8.992 -3.441 -3.039 315 1HB TRP 44 HB2 TRP 44 6.829 -2.867 -2.053 316 2HB TRP 44 HB1 TRP 44 6.645 -4.529 -1.501 317 HD1 TRP 44 HD1 TRP 44 7.116 -4.799 0.880 318 HE1 TRP 44 HE1 TRP 44 8.666 -3.730 2.654 319 HE3 TRP 44 HE3 TRP 44 9.562 -1.437 -2.102 320 HZ2 TRP 44 HZ2 TRP 44 10.684 -1.773 2.735 321 HZ3 TRP 44 HZ3 TRP 44 11.288 -0.019 -1.054 322 HH2 TRP 44 HH2 TRP 44 11.819 -0.170 1.275 323 H ASN 45 HN ASN 45 7.364 -6.469 -2.074 324 HA ASN 45 HA ASN 45 9.408 -7.532 -0.559 325 1HB ASN 45 HB1 ASN 45 7.173 -8.758 -2.122 326 2HB ASN 45 HB2 ASN 45 8.276 -9.753 -1.192 327 1HD2 ASN 45 HD21 ASN 45 5.444 -8.087 -1.182 328 2HD2 ASN 45 HD22 ASN 45 5.202 -7.968 0.515 329 H SER 46 HN SER 46 8.950 -7.587 -3.983 330 HA SER 46 HA SER 46 10.863 -9.562 -4.623 331 1HB SER 46 HB1 SER 46 9.152 -8.847 -6.217 332 2HB SER 46 HB2 SER 46 9.874 -7.239 -6.283 333 HG SER 46 HG SER 46 10.528 -8.606 -8.026 334 H ARG 47 HN ARG 47 11.058 -6.021 -4.497 335 HA ARG 47 HA ARG 47 13.702 -5.750 -5.345 336 1HB ARG 47 HB1 ARG 47 12.092 -4.044 -3.447 337 2HB ARG 47 HB2 ARG 47 13.633 -3.566 -4.151 338 1HG ARG 47 HG1 ARG 47 12.728 -3.499 -6.329 339 2HG ARG 47 HG2 ARG 47 11.256 -4.328 -5.819 340 1HD ARG 47 HD1 ARG 47 10.650 -2.426 -4.443 341 2HD ARG 47 HD2 ARG 47 12.128 -1.600 -4.907 342 HE ARG 47 HE ARG 47 9.720 -1.600 -6.342 343 1HH1 ARG 47 HH11 ARG 47 13.152 -1.921 -6.879 344 2HH1 ARG 47 HH12 ARG 47 13.085 -1.298 -8.494 345 1HH2 ARG 47 HH21 ARG 47 9.629 -0.778 -8.465 346 2HH2 ARG 47 HH22 ARG 47 11.085 -0.648 -9.394 347 H ARG 48 HN ARG 48 12.341 -6.476 -2.207 348 HA ARG 48 HA ARG 48 14.572 -6.108 -0.582 349 1HB ARG 48 HB2 ARG 48 12.366 -8.166 -0.448 350 2HB ARG 48 HB1 ARG 48 13.537 -7.915 0.828 351 1HG ARG 48 HG1 ARG 48 12.748 -5.620 1.109 352 2HG ARG 48 HG2 ARG 48 11.581 -5.867 -0.191 353 1HD ARG 48 HD1 ARG 48 10.524 -6.109 1.989 354 2HD ARG 48 HD2 ARG 48 10.504 -7.631 1.097 355 HE ARG 48 HE ARG 48 12.780 -7.590 2.722 356 1HH1 ARG 48 HH11 ARG 48 9.312 -7.720 3.026 357 2HH1 ARG 48 HH12 ARG 48 9.347 -8.605 4.514 358 1HH2 ARG 48 HH21 ARG 48 12.836 -8.758 4.677 359 2HH2 ARG 48 HH22 ARG 48 11.351 -9.195 5.452 360 H ALA 49 HN ALA 49 13.470 -9.009 -2.256 361 HA ALA 49 HA ALA 49 15.587 -10.691 -1.626 362 1HB ALA 49 HB1 ALA 49 14.885 -11.694 -3.991 363 2HB ALA 49 HB2 ALA 49 13.499 -10.636 -3.718 364 3HB ALA 49 HB3 ALA 49 13.895 -11.895 -2.545 365 H ASP 50 HN ASP 50 15.251 -8.303 -4.119 366 HA ASP 50 HA ASP 50 17.692 -9.027 -5.468 367 1HB ASP 50 HB1 ASP 50 15.774 -8.039 -6.684 368 2HB ASP 50 HB2 ASP 50 15.989 -6.544 -5.777 369 H ALA 51 HN ALA 51 18.364 -8.690 -2.876 370 HA ALA 51 HA ALA 51 19.093 -6.157 -2.011 371 1HB ALA 51 HB1 ALA 51 19.619 -8.881 -1.237 372 2HB ALA 51 HB2 ALA 51 19.545 -7.425 -0.245 373 3HB ALA 51 HB3 ALA 51 21.056 -7.879 -1.035 374 HA PRO 52 HA PRO 52 22.277 -4.867 -4.813 375 1HB PRO 52 HB2 PRO 52 23.599 -3.229 -3.011 376 2HB PRO 52 HB1 PRO 52 22.192 -2.753 -3.967 377 1HG PRO 52 HG2 PRO 52 22.326 -3.702 -1.132 378 2HG PRO 52 HG1 PRO 52 21.343 -2.402 -1.834 379 1HD PRO 52 HD1 PRO 52 20.266 -4.789 -1.279 380 2HD PRO 52 HD2 PRO 52 19.802 -3.893 -2.740 381 H SER 53 HN SER 53 24.181 -5.731 -5.361 382 HA SER 53 HA SER 53 26.077 -6.982 -5.282 383 1HB SER 53 HB2 SER 53 26.850 -4.981 -4.019 384 2HB SER 53 HB1 SER 53 26.373 -5.775 -2.518 385 HG SER 53 HG SER 53 28.663 -5.956 -3.264 386 H THR 54 HN THR 54 27.014 -7.841 -2.395 387 HA THR 54 HA THR 54 25.062 -9.778 -1.600 388 HB THR 54 HB THR 54 27.566 -10.775 -2.977 389 HG1 THR 54 HG1 THR 54 25.830 -10.223 -4.396 390 1HG2 THR 54 HG21 THR 54 25.412 -12.263 -1.473 391 2HG2 THR 54 HG22 THR 54 27.119 -12.147 -1.043 392 3HG2 THR 54 HG23 THR 54 26.631 -13.030 -2.491 393 H SER 55 HN SER 55 28.507 -8.914 -1.559 394 HA SER 55 HA SER 55 28.575 -8.509 1.228 395 1HB SER 55 HB1 SER 55 29.999 -10.416 1.894 396 2HB SER 55 HB2 SER 55 28.408 -10.949 1.351 397 HG SER 55 HG SER 55 29.950 -10.891 -0.778 398 H ALA 56 HN ALA 56 29.402 -7.037 -0.949 399 HA ALA 56 HA ALA 56 32.235 -7.324 -1.354 400 1HB ALA 56 HB1 ALA 56 31.928 -5.061 -2.509 401 2HB ALA 56 HB2 ALA 56 30.204 -5.294 -2.222 402 3HB ALA 56 HB3 ALA 56 31.098 -6.453 -3.203 403 H ILE 57 HN ILE 57 31.791 -7.163 1.353 404 HA ILE 57 HA ILE 57 31.915 -4.597 2.476 405 HB ILE 57 HB ILE 57 33.094 -7.159 3.553 406 1HG1 ILE 57 HG12 ILE 57 30.698 -7.357 3.099 407 2HG1 ILE 57 HG11 ILE 57 31.001 -7.330 4.834 408 1HG2 ILE 57 HG21 ILE 57 33.793 -6.027 5.327 409 2HG2 ILE 57 HG22 ILE 57 32.196 -5.314 5.553 410 3HG2 ILE 57 HG23 ILE 57 33.368 -4.533 4.492 411 1HD1 ILE 57 HD11 ILE 57 29.508 -5.717 5.007 412 2HD1 ILE 57 HD12 ILE 57 29.354 -5.614 3.253 413 3HD1 ILE 57 HD13 ILE 57 30.588 -4.669 4.087 414 H SER 58 HN SER 58 34.504 -6.833 1.522 415 HA SER 58 HA SER 58 36.729 -6.540 1.159 416 1HB SER 58 HB2 SER 58 35.849 -3.701 0.575 417 2HB SER 58 HB1 SER 58 37.411 -4.393 0.136 418 HG SER 58 HG SER 58 34.871 -5.297 -0.756 419 H GLU 59 HN GLU 59 37.905 -3.706 1.659 420 HA GLU 59 HA GLU 59 39.019 -4.247 4.174 421 1HB GLU 59 HB1 GLU 59 38.843 -1.626 2.677 422 2HB GLU 59 HB2 GLU 59 39.881 -1.925 4.064 423 1HG GLU 59 HG1 GLU 59 41.086 -3.630 2.809 424 2HG GLU 59 HG2 GLU 59 40.033 -3.357 1.420 425 H ASP 60 HN ASP 60 38.479 -3.691 6.213 426 HA ASP 60 HA ASP 60 35.835 -3.011 6.842 427 1HB ASP 60 HB1 ASP 60 36.676 -2.761 9.164 428 2HB ASP 60 HB2 ASP 60 37.216 -4.250 8.400 429 1H GLY 1 HT1 GLY 1 -1.235 22.541 6.282 430 2H GLY 1 HT2 GLY 1 -2.567 22.748 7.302 431 3H GLY 1 HT3 GLY 1 -2.610 23.354 5.724 432 1HA GLY 1 HA1 GLY 1 -2.128 20.812 5.180 433 2HA GLY 1 HA2 GLY 1 -3.009 20.636 6.690 434 H SER 2 HN SER 2 -3.549 20.214 3.660 435 HA SER 2 HA SER 2 -6.334 20.628 3.782 436 1HB SER 2 HB2 SER 2 -5.753 22.986 3.448 437 2HB SER 2 HB1 SER 2 -4.823 22.566 2.011 438 HG SER 2 HG SER 2 -7.288 21.552 1.796 439 H ALA 3 HN ALA 3 -3.546 20.393 1.605 440 HA ALA 3 HA ALA 3 -4.847 19.180 -0.556 441 1HB ALA 3 HB1 ALA 3 -2.248 19.957 0.044 442 2HB ALA 3 HB2 ALA 3 -2.825 19.278 -1.477 443 3HB ALA 3 HB3 ALA 3 -2.140 18.221 -0.242 444 H ALA 4 HN ALA 4 -3.175 17.734 2.224 445 HA ALA 4 HA ALA 4 -3.490 15.048 1.460 446 1HB ALA 4 HB1 ALA 4 -2.182 16.295 3.464 447 2HB ALA 4 HB2 ALA 4 -2.489 14.559 3.420 448 3HB ALA 4 HB3 ALA 4 -3.548 15.618 4.350 449 H SER 5 HN SER 5 -5.129 13.617 1.654 450 HA SER 5 HA SER 5 -7.271 13.844 3.475 451 1HB SER 5 HB2 SER 5 -9.099 14.353 1.889 452 2HB SER 5 HB1 SER 5 -7.975 15.702 2.049 453 HG SER 5 HG SER 5 -7.965 13.778 -0.039 454 HA PRO 6 HA PRO 6 -7.287 9.562 2.282 455 1HB PRO 6 HB1 PRO 6 -9.828 9.406 3.757 456 2HB PRO 6 HB2 PRO 6 -8.300 8.580 4.066 457 1HG PRO 6 HG1 PRO 6 -9.183 10.551 5.659 458 2HG PRO 6 HG2 PRO 6 -7.459 10.324 5.322 459 1HD PRO 6 HD2 PRO 6 -9.373 12.305 4.146 460 2HD PRO 6 HD1 PRO 6 -7.691 12.538 4.667 461 H ALA 7 HN ALA 7 -8.614 8.048 1.116 462 HA ALA 7 HA ALA 7 -9.992 7.429 -0.580 463 1HB ALA 7 HB1 ALA 7 -11.977 7.628 0.463 464 2HB ALA 7 HB2 ALA 7 -12.189 8.996 -0.629 465 3HB ALA 7 HB3 ALA 7 -11.639 9.264 1.025 466 H VAL 8 HN VAL 8 -7.918 9.282 -1.094 467 HA VAL 8 HA VAL 8 -8.909 11.294 -2.904 468 HB VAL 8 HB VAL 8 -6.825 11.560 -1.545 469 1HG1 VAL 8 HG11 VAL 8 -4.848 10.430 -3.060 470 2HG1 VAL 8 HG12 VAL 8 -6.076 9.166 -3.010 471 3HG1 VAL 8 HG13 VAL 8 -5.434 9.833 -1.509 472 1HG2 VAL 8 HG21 VAL 8 -7.291 12.945 -3.532 473 2HG2 VAL 8 HG22 VAL 8 -6.407 11.786 -4.525 474 3HG2 VAL 8 HG23 VAL 8 -5.564 12.699 -3.274 475 H ASP 9 HN ASP 9 -10.057 9.130 -3.760 476 HA ASP 9 HA ASP 9 -10.507 8.044 -5.714 477 1HB ASP 9 HB1 ASP 9 -7.765 8.969 -6.602 478 2HB ASP 9 HB2 ASP 9 -8.921 8.117 -7.617 479 H ILE 10 HN ILE 10 -8.171 7.489 -3.488 480 HA ILE 10 HA ILE 10 -7.226 5.641 -2.583 481 HB ILE 10 HB ILE 10 -9.535 4.672 -3.381 482 1HG1 ILE 10 HG12 ILE 10 -8.905 2.530 -2.387 483 2HG1 ILE 10 HG11 ILE 10 -7.209 2.900 -2.633 484 1HG2 ILE 10 HG21 ILE 10 -9.599 3.335 -5.170 485 2HG2 ILE 10 HG22 ILE 10 -8.046 2.593 -4.781 486 3HG2 ILE 10 HG23 ILE 10 -8.097 4.126 -5.651 487 1HD1 ILE 10 HD11 ILE 10 -7.473 3.413 -0.418 488 2HD1 ILE 10 HD12 ILE 10 -9.119 4.008 -0.645 489 3HD1 ILE 10 HD13 ILE 10 -7.746 4.987 -1.167 490 H GLY 11 HN GLY 11 -7.248 5.589 -6.137 491 1HA GLY 11 HA2 GLY 11 -4.939 3.961 -6.391 492 2HA GLY 11 HA1 GLY 11 -5.627 4.983 -7.643 493 H ASP 12 HN ASP 12 -5.430 7.407 -6.009 494 HA ASP 12 HA ASP 12 -2.923 8.309 -6.858 495 1HB ASP 12 HB2 ASP 12 -4.801 9.441 -4.778 496 2HB ASP 12 HB1 ASP 12 -3.386 10.288 -5.393 497 H ARG 13 HN ARG 13 -4.009 7.396 -3.580 498 HA ARG 13 HA ARG 13 -1.541 7.899 -2.317 499 1HB ARG 13 HB2 ARG 13 -3.536 5.799 -1.467 500 2HB ARG 13 HB1 ARG 13 -2.381 6.650 -0.451 501 1HG ARG 13 HG2 ARG 13 -3.813 8.717 -1.459 502 2HG ARG 13 HG1 ARG 13 -5.040 7.454 -1.371 503 1HD ARG 13 HD2 ARG 13 -5.091 8.617 0.699 504 2HD ARG 13 HD1 ARG 13 -4.323 7.058 1.004 505 HE ARG 13 HE ARG 13 -2.487 8.195 1.689 506 1HH1 ARG 13 HH11 ARG 13 -4.263 10.231 -0.511 507 2HH1 ARG 13 HH12 ARG 13 -3.163 11.562 -0.370 508 1HH2 ARG 13 HH21 ARG 13 -1.035 9.937 1.876 509 2HH2 ARG 13 HH22 ARG 13 -1.329 11.396 0.989 510 H LEU 14 HN LEU 14 -2.915 5.024 -3.802 511 HA LEU 14 HA LEU 14 -0.906 3.192 -3.127 512 1HB LEU 14 HB2 LEU 14 -2.836 3.318 -5.437 513 2HB LEU 14 HB1 LEU 14 -1.773 1.951 -5.159 514 HG LEU 14 HG LEU 14 -3.572 2.849 -2.946 515 1HD1 LEU 14 HD11 LEU 14 -5.331 2.646 -4.346 516 2HD1 LEU 14 HD12 LEU 14 -5.066 0.922 -4.079 517 3HD1 LEU 14 HD13 LEU 14 -4.423 1.700 -5.526 518 1HD2 LEU 14 HD21 LEU 14 -3.572 0.370 -2.559 519 2HD2 LEU 14 HD22 LEU 14 -1.997 1.149 -2.405 520 3HD2 LEU 14 HD23 LEU 14 -2.391 0.238 -3.864 521 H ASP 15 HN ASP 15 -1.305 5.223 -6.007 522 HA ASP 15 HA ASP 15 0.963 4.300 -7.386 523 1HB ASP 15 HB2 ASP 15 -0.828 5.572 -8.479 524 2HB ASP 15 HB1 ASP 15 -0.400 6.998 -7.539 525 H GLU 16 HN GLU 16 0.508 7.090 -5.236 526 HA GLU 16 HA GLU 16 3.158 8.040 -5.420 527 1HB GLU 16 HB1 GLU 16 1.123 8.399 -3.214 528 2HB GLU 16 HB2 GLU 16 2.617 9.311 -3.361 529 1HG GLU 16 HG1 GLU 16 1.853 10.204 -5.508 530 2HG GLU 16 HG2 GLU 16 0.348 9.307 -5.336 531 H LEU 17 HN LEU 17 1.580 5.771 -3.217 532 HA LEU 17 HA LEU 17 3.694 5.477 -1.384 533 1HB LEU 17 HB1 LEU 17 1.233 4.585 -1.321 534 2HB LEU 17 HB2 LEU 17 1.912 3.182 -2.122 535 HG LEU 17 HG LEU 17 3.036 4.221 0.469 536 1HD1 LEU 17 HD11 LEU 17 1.559 3.053 1.738 537 2HD1 LEU 17 HD12 LEU 17 1.193 1.900 0.452 538 3HD1 LEU 17 HD13 LEU 17 0.494 3.518 0.408 539 1HD2 LEU 17 HD21 LEU 17 3.427 1.568 0.467 540 2HD2 LEU 17 HD22 LEU 17 4.579 2.726 -0.197 541 3HD2 LEU 17 HD23 LEU 17 3.461 1.882 -1.269 542 H GLU 18 HN GLU 18 2.950 3.886 -4.455 543 HA GLU 18 HA GLU 18 5.010 1.945 -4.366 544 1HB GLU 18 HB2 GLU 18 2.961 2.084 -5.942 545 2HB GLU 18 HB1 GLU 18 3.960 3.154 -6.915 546 1HG GLU 18 HG1 GLU 18 5.671 1.339 -6.993 547 2HG GLU 18 HG2 GLU 18 4.502 0.285 -6.216 548 H LYS 19 HN LYS 19 4.783 5.069 -6.048 549 HA LYS 19 HA LYS 19 7.339 5.161 -7.129 550 1HB LYS 19 HB2 LYS 19 5.721 7.479 -6.042 551 2HB LYS 19 HB1 LYS 19 7.058 7.602 -7.177 552 1HG LYS 19 HG2 LYS 19 4.472 6.161 -7.721 553 2HG LYS 19 HG1 LYS 19 4.847 7.803 -8.244 554 1HD LYS 19 HD2 LYS 19 6.744 6.954 -9.541 555 2HD LYS 19 HD1 LYS 19 6.357 5.312 -9.025 556 1HE LYS 19 HE2 LYS 19 4.197 5.454 -10.132 557 2HE LYS 19 HE1 LYS 19 4.533 7.116 -10.607 558 1HZ LYS 19 HZ1 LYS 19 6.555 6.144 -11.773 559 2HZ LYS 19 HZ2 LYS 19 5.044 5.855 -12.476 560 3HZ LYS 19 HZ3 LYS 19 5.807 4.637 -11.584 561 H ALA 20 HN ALA 20 6.157 5.888 -3.932 562 HA ALA 20 HA ALA 20 8.478 7.104 -2.900 563 1HB ALA 20 HB1 ALA 20 7.422 7.044 -0.845 564 2HB ALA 20 HB2 ALA 20 6.592 5.529 -1.200 565 3HB ALA 20 HB3 ALA 20 6.065 7.026 -1.969 566 H LEU 21 HN LEU 21 7.296 3.738 -2.736 567 HA LEU 21 HA LEU 21 9.387 2.699 -1.208 568 1HB LEU 21 HB1 LEU 21 7.944 1.272 -3.431 569 2HB LEU 21 HB2 LEU 21 8.849 0.518 -2.135 570 HG LEU 21 HG LEU 21 6.093 1.531 -2.181 571 1HD1 LEU 21 HD21 LEU 21 7.637 -0.560 -0.684 572 2HD1 LEU 21 HD22 LEU 21 6.450 -0.793 -1.966 573 3HD1 LEU 21 HD23 LEU 21 5.934 -0.219 -0.380 574 1HD2 LEU 21 HD11 LEU 21 5.993 2.177 0.107 575 2HD2 LEU 21 HD12 LEU 21 7.234 3.161 -0.669 576 3HD2 LEU 21 HD13 LEU 21 7.696 1.796 0.346 577 H GLU 22 HN GLU 22 9.141 3.287 -4.678 578 HA GLU 22 HA GLU 22 11.323 1.949 -5.648 579 1HB GLU 22 HB1 GLU 22 10.453 4.753 -6.382 580 2HB GLU 22 HB2 GLU 22 11.522 3.744 -7.343 581 1HG GLU 22 HG1 GLU 22 9.708 2.102 -7.596 582 2HG GLU 22 HG2 GLU 22 8.641 3.173 -6.691 583 H ALA 23 HN ALA 23 11.233 4.919 -3.792 584 HA ALA 23 HA ALA 23 14.021 5.499 -4.030 585 1HB ALA 23 HB1 ALA 23 13.040 7.435 -3.437 586 2HB ALA 23 HB2 ALA 23 13.252 6.832 -1.793 587 3HB ALA 23 HB3 ALA 23 11.706 6.625 -2.615 588 H LEU 24 HN LEU 24 11.984 4.005 -1.530 589 HA LEU 24 HA LEU 24 14.329 3.327 0.064 590 1HB LEU 24 HB1 LEU 24 11.433 2.693 0.609 591 2HB LEU 24 HB2 LEU 24 12.764 2.551 1.737 592 HG LEU 24 HG LEU 24 13.012 5.128 1.296 593 1HD1 LEU 24 HD11 LEU 24 10.441 5.854 1.168 594 2HD1 LEU 24 HD12 LEU 24 10.398 4.422 0.138 595 3HD1 LEU 24 HD13 LEU 24 11.492 5.752 -0.245 596 1HD2 LEU 24 HD21 LEU 24 10.757 4.074 2.987 597 2HD2 LEU 24 HD22 LEU 24 11.679 5.557 3.233 598 3HD2 LEU 24 HD23 LEU 24 12.459 3.990 3.435 599 H SER 25 HN SER 25 13.330 2.059 -2.612 600 HA SER 25 HA SER 25 12.486 -0.517 -2.291 601 1HB SER 25 HB1 SER 25 13.470 -1.018 -4.439 602 2HB SER 25 HB2 SER 25 12.821 0.618 -4.466 603 HG SER 25 HG SER 25 15.337 -0.194 -4.908 604 H ALA 26 HN ALA 26 13.376 -1.285 -0.332 605 HA ALA 26 HA ALA 26 14.826 -2.432 0.992 606 1HB ALA 26 HB1 ALA 26 14.412 -3.874 -1.147 607 2HB ALA 26 HB2 ALA 26 15.629 -4.361 0.034 608 3HB ALA 26 HB3 ALA 26 16.118 -3.548 -1.454 609 H GLU 27 HN GLU 27 15.673 0.185 0.420 610 HA GLU 27 HA GLU 27 18.408 0.267 -0.361 611 1HB GLU 27 HB2 GLU 27 16.653 2.255 1.074 612 2HB GLU 27 HB1 GLU 27 18.316 2.590 0.620 613 1HG GLU 27 HG1 GLU 27 16.146 1.829 -1.316 614 2HG GLU 27 HG2 GLU 27 16.640 3.484 -0.962 615 H ASP 28 HN ASP 28 16.765 -0.018 2.742 616 HA ASP 28 HA ASP 28 19.270 -0.808 3.969 617 1HB ASP 28 HB1 ASP 28 19.221 1.668 4.201 618 2HB ASP 28 HB2 ASP 28 17.703 1.528 5.080 619 H GLY 29 HN GLY 29 17.369 -2.566 3.574 620 1HA GLY 29 HA1 GLY 29 15.990 -4.091 4.601 621 2HA GLY 29 HA2 GLY 29 16.705 -3.537 6.108 622 H HIS 30 HN HIS 30 14.607 -1.977 3.710 623 HA HIS 30 HA HIS 30 13.042 -0.717 5.739 624 1HB HIS 30 HB2 HIS 30 12.901 -0.848 2.741 625 2HB HIS 30 HB1 HIS 30 11.634 -0.053 3.663 626 HD1 HIS 30 HD1 HIS 30 12.943 1.675 5.597 627 HD2 HIS 30 HD2 HIS 30 14.648 0.989 1.870 628 HE1 HIS 30 HE1 HIS 30 14.532 3.589 5.226 629 HE2 HIS 30 HE2 HIS 30 15.503 3.189 2.935 630 H ASP 31 HN ASP 31 12.972 -3.510 6.079 631 HA ASP 31 HA ASP 31 10.843 -4.898 5.024 632 1HB ASP 31 HB2 ASP 31 12.495 -5.876 6.574 633 2HB ASP 31 HB1 ASP 31 11.800 -4.950 7.898 634 H ASP 32 HN ASP 32 10.860 -2.358 7.425 635 HA ASP 32 HA ASP 32 8.342 -2.618 8.535 636 1HB ASP 32 HB2 ASP 32 9.809 -0.066 7.840 637 2HB ASP 32 HB1 ASP 32 8.442 -0.179 8.941 638 H VAL 33 HN VAL 33 9.275 -1.059 5.482 639 HA VAL 33 HA VAL 33 6.762 -0.007 4.841 640 HB VAL 33 HB VAL 33 8.707 -1.026 2.779 641 1HG1 VAL 33 HG21 VAL 33 6.241 0.015 2.454 642 2HG1 VAL 33 HG22 VAL 33 7.551 0.201 1.287 643 3HG1 VAL 33 HG23 VAL 33 7.212 1.489 2.445 644 1HG2 VAL 33 HG11 VAL 33 8.877 1.798 3.532 645 2HG2 VAL 33 HG12 VAL 33 10.159 0.634 3.195 646 3HG2 VAL 33 HG13 VAL 33 9.412 0.687 4.792 647 H GLY 34 HN GLY 34 8.161 -3.190 4.362 648 1HA GLY 34 HA1 GLY 34 6.055 -4.233 2.757 649 2HA GLY 34 HA2 GLY 34 7.235 -5.176 3.654 650 H GLN 35 HN GLN 35 6.659 -4.080 6.212 651 HA GLN 35 HA GLN 35 4.556 -5.772 7.034 652 1HB GLN 35 HB2 GLN 35 6.344 -5.244 8.555 653 2HB GLN 35 HB1 GLN 35 6.004 -3.525 8.439 654 1HG GLN 35 HG2 GLN 35 3.910 -3.815 9.590 655 2HG GLN 35 HG1 GLN 35 4.134 -5.563 9.619 656 1HE2 GLN 35 HE22 GLN 35 7.134 -4.430 10.030 657 2HE2 GLN 35 HE21 GLN 35 7.201 -4.332 11.751 658 H ARG 36 HN ARG 36 4.779 -2.267 6.589 659 HA ARG 36 HA ARG 36 2.131 -1.673 7.416 660 1HB ARG 36 HB1 ARG 36 3.964 -0.140 5.559 661 2HB ARG 36 HB2 ARG 36 2.508 0.498 6.303 662 1HG ARG 36 HG1 ARG 36 4.908 -0.476 7.833 663 2HG ARG 36 HG2 ARG 36 4.601 1.209 7.412 664 1HD ARG 36 HD1 ARG 36 2.524 1.165 8.674 665 2HD ARG 36 HD2 ARG 36 2.779 -0.533 9.054 666 HE ARG 36 HE ARG 36 3.834 1.654 10.460 667 1HH1 ARG 36 HH11 ARG 36 4.802 -1.470 9.250 668 2HH1 ARG 36 HH12 ARG 36 6.023 -1.700 10.457 669 1HH2 ARG 36 HH21 ARG 36 5.437 1.358 12.048 670 2HH2 ARG 36 HH22 ARG 36 6.384 -0.093 12.047 671 H LEU 37 HN LEU 37 3.649 -2.066 4.256 672 HA LEU 37 HA LEU 37 1.446 -1.625 2.618 673 1HB LEU 37 HB1 LEU 37 4.087 -2.252 2.279 674 2HB LEU 37 HB2 LEU 37 3.304 -3.717 1.728 675 HG LEU 37 HG LEU 37 2.895 -0.936 0.631 676 1HD1 LEU 37 HD21 LEU 37 4.220 -3.408 -0.477 677 2HD1 LEU 37 HD22 LEU 37 4.993 -1.880 -0.056 678 3HD1 LEU 37 HD23 LEU 37 3.871 -1.955 -1.413 679 1HD2 LEU 37 HD11 LEU 37 0.877 -2.573 0.709 680 2HD2 LEU 37 HD12 LEU 37 1.738 -3.406 -0.586 681 3HD2 LEU 37 HD13 LEU 37 1.255 -1.721 -0.788 682 H GLU 38 HN GLU 38 2.676 -4.630 4.018 683 HA GLU 38 HA GLU 38 0.729 -6.322 2.861 684 1HB GLU 38 HB2 GLU 38 3.009 -6.930 3.886 685 2HB GLU 38 HB1 GLU 38 2.186 -6.883 5.437 686 1HG GLU 38 HG2 GLU 38 1.074 -8.547 3.236 687 2HG GLU 38 HG1 GLU 38 2.467 -9.122 4.146 688 H SER 39 HN SER 39 0.936 -4.572 5.909 689 HA SER 39 HA SER 39 -1.317 -5.681 7.169 690 1HB SER 39 HB2 SER 39 0.319 -4.296 8.375 691 2HB SER 39 HB1 SER 39 -0.171 -2.887 7.434 692 HG SER 39 HG SER 39 -2.375 -3.842 8.440 693 H LEU 40 HN LEU 40 -0.931 -3.089 4.836 694 HA LEU 40 HA LEU 40 -3.464 -1.937 4.932 695 1HB LEU 40 HB1 LEU 40 -1.707 -2.373 2.514 696 2HB LEU 40 HB2 LEU 40 -3.061 -1.265 2.592 697 HG LEU 40 HG LEU 40 -0.546 -1.042 4.244 698 1HD1 LEU 40 HD21 LEU 40 -1.125 -0.290 1.540 699 2HD1 LEU 40 HD22 LEU 40 0.374 -0.116 2.452 700 3HD1 LEU 40 HD23 LEU 40 -0.854 1.148 2.522 701 1HD2 LEU 40 HD11 LEU 40 -2.433 1.206 3.884 702 2HD2 LEU 40 HD12 LEU 40 -1.420 0.782 5.264 703 3HD2 LEU 40 HD13 LEU 40 -2.923 -0.093 4.972 704 H LEU 41 HN LEU 41 -2.287 -4.600 2.897 705 HA LEU 41 HA LEU 41 -4.825 -5.107 1.721 706 1HB LEU 41 HB1 LEU 41 -2.178 -6.474 1.706 707 2HB LEU 41 HB2 LEU 41 -3.583 -7.328 1.104 708 HG LEU 41 HG LEU 41 -2.759 -4.619 0.087 709 1HD1 LEU 41 HD21 LEU 41 -2.188 -7.250 -1.245 710 2HD1 LEU 41 HD22 LEU 41 -1.000 -6.376 -0.278 711 3HD1 LEU 41 HD23 LEU 41 -1.663 -5.640 -1.739 712 1HD2 LEU 41 HD11 LEU 41 -5.092 -6.106 -0.206 713 2HD2 LEU 41 HD12 LEU 41 -4.204 -6.343 -1.713 714 3HD2 LEU 41 HD13 LEU 41 -4.587 -4.711 -1.161 715 H ARG 42 HN ARG 42 -3.017 -6.689 4.346 716 HA ARG 42 HA ARG 42 -4.646 -8.885 4.738 717 1HB ARG 42 HB1 ARG 42 -2.490 -8.264 5.965 718 2HB ARG 42 HB2 ARG 42 -3.490 -7.272 7.015 719 1HG ARG 42 HG1 ARG 42 -3.958 -10.214 6.612 720 2HG ARG 42 HG2 ARG 42 -2.909 -9.566 7.873 721 1HD ARG 42 HD1 ARG 42 -4.783 -8.320 8.807 722 2HD ARG 42 HD2 ARG 42 -5.836 -8.931 7.533 723 HE ARG 42 HE ARG 42 -4.702 -11.122 8.836 724 1HH1 ARG 42 HH11 ARG 42 -6.901 -8.506 9.514 725 2HH1 ARG 42 HH12 ARG 42 -7.800 -9.397 10.697 726 1HH2 ARG 42 HH21 ARG 42 -5.880 -12.303 10.390 727 2HH2 ARG 42 HH22 ARG 42 -7.219 -11.556 11.195 728 H ARG 43 HN ARG 43 -5.065 -5.559 5.804 729 HA ARG 43 HA ARG 43 -7.574 -6.126 7.135 730 1HB ARG 43 HB2 ARG 43 -6.296 -3.457 6.505 731 2HB ARG 43 HB1 ARG 43 -7.624 -3.740 7.619 732 1HG ARG 43 HG1 ARG 43 -4.805 -4.751 7.933 733 2HG ARG 43 HG2 ARG 43 -5.536 -3.408 8.810 734 1HD ARG 43 HD2 ARG 43 -7.181 -4.946 9.780 735 2HD ARG 43 HD1 ARG 43 -6.426 -6.286 8.918 736 HE ARG 43 HE ARG 43 -4.472 -4.999 10.457 737 1HH1 ARG 43 HH11 ARG 43 -7.331 -6.946 10.869 738 2HH1 ARG 43 HH12 ARG 43 -6.808 -7.624 12.374 739 1HH2 ARG 43 HH21 ARG 43 -3.775 -5.887 12.438 740 2HH2 ARG 43 HH22 ARG 43 -4.787 -7.023 13.266 741 H TRP 44 HN TRP 44 -6.436 -4.611 4.170 742 HA TRP 44 HA TRP 44 -8.806 -3.520 3.198 743 1HB TRP 44 HB2 TRP 44 -6.640 -3.063 2.197 744 2HB TRP 44 HB1 TRP 44 -6.485 -4.743 1.695 745 HD1 TRP 44 HD1 TRP 44 -6.609 -4.697 -0.851 746 HE1 TRP 44 HE1 TRP 44 -8.206 -3.701 -2.598 747 HE3 TRP 44 HE3 TRP 44 -9.647 -1.984 2.258 748 HZ2 TRP 44 HZ2 TRP 44 -10.419 -1.989 -2.658 749 HZ3 TRP 44 HZ3 TRP 44 -11.476 -0.686 1.239 750 HH2 TRP 44 HH2 TRP 44 -11.856 -0.694 -1.154 751 H ASN 45 HN ASN 45 -7.367 -6.642 2.254 752 HA ASN 45 HA ASN 45 -9.554 -7.586 0.799 753 1HB ASN 45 HB2 ASN 45 -7.397 -9.131 2.250 754 2HB ASN 45 HB1 ASN 45 -8.508 -9.827 1.076 755 1HD2 ASN 45 HD21 ASN 45 -5.490 -8.647 1.465 756 2HD2 ASN 45 HD22 ASN 45 -5.139 -8.181 -0.161 757 H SER 46 HN SER 46 -8.731 -7.922 4.217 758 HA SER 46 HA SER 46 -10.646 -9.799 4.963 759 1HB SER 46 HB1 SER 46 -8.865 -9.057 6.475 760 2HB SER 46 HB2 SER 46 -9.596 -7.455 6.568 761 HG SER 46 HG SER 46 -10.128 -8.892 8.336 762 H ARG 47 HN ARG 47 -10.892 -6.277 4.719 763 HA ARG 47 HA ARG 47 -13.509 -6.015 5.697 764 1HB ARG 47 HB1 ARG 47 -12.007 -4.310 3.702 765 2HB ARG 47 HB2 ARG 47 -13.518 -3.847 4.472 766 1HG ARG 47 HG2 ARG 47 -12.460 -3.867 6.644 767 2HG ARG 47 HG1 ARG 47 -10.954 -4.442 5.933 768 1HD ARG 47 HD2 ARG 47 -10.789 -2.381 4.621 769 2HD ARG 47 HD1 ARG 47 -12.290 -1.806 5.342 770 HE ARG 47 HE ARG 47 -9.718 -1.606 6.466 771 1HH1 ARG 47 HH11 ARG 47 -13.010 -2.325 7.358 772 2HH1 ARG 47 HH12 ARG 47 -12.814 -1.803 8.998 773 1HH2 ARG 47 HH21 ARG 47 -9.453 -0.919 8.623 774 2HH2 ARG 47 HH22 ARG 47 -10.794 -1.004 9.717 775 H ARG 48 HN ARG 48 -12.258 -6.707 2.478 776 HA ARG 48 HA ARG 48 -14.582 -6.402 0.977 777 1HB ARG 48 HB1 ARG 48 -12.363 -8.428 0.627 778 2HB ARG 48 HB2 ARG 48 -13.568 -8.036 -0.589 779 1HG ARG 48 HG2 ARG 48 -12.739 -5.759 -0.710 780 2HG ARG 48 HG1 ARG 48 -11.560 -6.108 0.556 781 1HD ARG 48 HD1 ARG 48 -10.558 -6.188 -1.684 782 2HD ARG 48 HD2 ARG 48 -10.478 -7.747 -0.864 783 HE ARG 48 HE ARG 48 -12.799 -7.672 -2.433 784 1HH1 ARG 48 HH11 ARG 48 -9.335 -7.768 -2.799 785 2HH1 ARG 48 HH12 ARG 48 -9.390 -8.593 -4.320 786 1HH2 ARG 48 HH21 ARG 48 -12.880 -8.761 -4.434 787 2HH2 ARG 48 HH22 ARG 48 -11.405 -9.157 -5.250 788 H ALA 49 HN ALA 49 -13.365 -9.266 2.689 789 HA ALA 49 HA ALA 49 -15.459 -11.005 1.997 790 1HB ALA 49 HB1 ALA 49 -14.694 -12.028 4.346 791 2HB ALA 49 HB2 ALA 49 -13.322 -10.961 4.045 792 3HB ALA 49 HB3 ALA 49 -13.745 -12.207 2.870 793 H ASP 50 HN ASP 50 -15.068 -8.707 4.633 794 HA ASP 50 HA ASP 50 -17.494 -9.474 5.965 795 1HB ASP 50 HB1 ASP 50 -15.566 -8.514 7.185 796 2HB ASP 50 HB2 ASP 50 -15.791 -6.997 6.321 797 H ALA 51 HN ALA 51 -18.223 -9.072 3.407 798 HA ALA 51 HA ALA 51 -18.966 -6.512 2.612 799 1HB ALA 51 HB1 ALA 51 -19.511 -9.212 1.784 800 2HB ALA 51 HB2 ALA 51 -19.490 -7.729 0.830 801 3HB ALA 51 HB3 ALA 51 -20.965 -8.221 1.663 802 HA PRO 52 HA PRO 52 -22.107 -5.317 5.498 803 1HB PRO 52 HB2 PRO 52 -23.522 -3.643 3.820 804 2HB PRO 52 HB1 PRO 52 -22.063 -3.182 4.703 805 1HG PRO 52 HG2 PRO 52 -22.367 -4.049 1.856 806 2HG PRO 52 HG1 PRO 52 -21.346 -2.768 2.536 807 1HD PRO 52 HD2 PRO 52 -20.324 -5.144 1.834 808 2HD PRO 52 HD1 PRO 52 -19.730 -4.267 3.258 809 H SER 53 HN SER 53 -23.977 -6.212 6.096 810 HA SER 53 HA SER 53 -25.866 -7.473 6.062 811 1HB SER 53 HB2 SER 53 -26.702 -5.480 4.832 812 2HB SER 53 HB1 SER 53 -26.252 -6.258 3.314 813 HG SER 53 HG SER 53 -28.521 -6.475 4.126 814 H THR 54 HN THR 54 -26.869 -8.333 3.198 815 HA THR 54 HA THR 54 -24.913 -10.251 2.354 816 HB THR 54 HB THR 54 -27.404 -11.287 3.728 817 HG1 THR 54 HG1 THR 54 -24.670 -11.210 4.452 818 1HG2 THR 54 HG21 THR 54 -25.190 -12.704 2.245 819 2HG2 THR 54 HG22 THR 54 -26.906 -12.674 1.836 820 3HG2 THR 54 HG23 THR 54 -26.360 -13.518 3.285 821 H SER 55 HN SER 55 -28.366 -9.427 2.391 822 HA SER 55 HA SER 55 -28.506 -8.981 -0.386 823 1HB SER 55 HB1 SER 55 -29.910 -10.904 -1.049 824 2HB SER 55 HB2 SER 55 -28.298 -11.418 -0.551 825 HG SER 55 HG SER 55 -29.769 -11.432 1.616 826 H ALA 56 HN ALA 56 -29.302 -7.567 1.841 827 HA ALA 56 HA ALA 56 -32.116 -7.911 2.320 828 1HB ALA 56 HB1 ALA 56 -31.818 -5.663 3.501 829 2HB ALA 56 HB2 ALA 56 -30.098 -5.854 3.157 830 3HB ALA 56 HB3 ALA 56 -30.938 -7.048 4.147 831 H ILE 57 HN ILE 57 -31.754 -7.698 -0.399 832 HA ILE 57 HA ILE 57 -31.958 -5.120 -1.478 833 HB ILE 57 HB ILE 57 -33.136 -7.687 -2.552 834 1HG1 ILE 57 HG12 ILE 57 -30.721 -7.853 -2.182 835 2HG1 ILE 57 HG11 ILE 57 -31.081 -7.805 -3.905 836 1HG2 ILE 57 HG21 ILE 57 -33.910 -6.540 -4.285 837 2HG2 ILE 57 HG22 ILE 57 -32.331 -5.799 -4.554 838 3HG2 ILE 57 HG23 ILE 57 -33.479 -5.051 -3.443 839 1HD1 ILE 57 HD11 ILE 57 -29.608 -6.173 -4.100 840 2HD1 ILE 57 HD12 ILE 57 -29.409 -6.083 -2.350 841 3HD1 ILE 57 HD13 ILE 57 -30.676 -5.147 -3.144 842 H SER 58 HN SER 58 -34.473 -7.406 -0.451 843 HA SER 58 HA SER 58 -36.688 -7.153 -0.005 844 1HB SER 58 HB2 SER 58 -35.836 -4.303 0.564 845 2HB SER 58 HB1 SER 58 -37.367 -5.025 1.056 846 HG SER 58 HG SER 58 -34.790 -5.925 1.836 847 H GLU 59 HN GLU 59 -37.927 -4.333 -0.443 848 HA GLU 59 HA GLU 59 -39.126 -4.887 -2.918 849 1HB GLU 59 HB1 GLU 59 -38.942 -2.241 -1.464 850 2HB GLU 59 HB2 GLU 59 -40.071 -2.623 -2.757 851 1HG GLU 59 HG1 GLU 59 -41.085 -4.352 -1.353 852 2HG GLU 59 HG2 GLU 59 -39.964 -3.943 -0.055 853 H ASP 60 HN ASP 60 -38.673 -4.313 -4.969 854 HA ASP 60 HA ASP 60 -36.064 -3.570 -5.690 855 1HB ASP 60 HB1 ASP 60 -36.946 -3.396 -7.979 856 2HB ASP 60 HB2 ASP 60 -37.528 -4.852 -7.178 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 11.424 21.153 -5.763 2 2H GLY 1 HT2 GLY 1 10.310 20.040 -6.383 3 3H GLY 1 HT3 GLY 1 11.837 19.516 -5.881 4 1HA GLY 1 HA2 GLY 1 9.929 19.051 -4.315 5 2HA GLY 1 HA1 GLY 1 11.362 19.803 -3.633 6 H SER 2 HN SER 2 8.739 21.214 -5.565 7 HA SER 2 HA SER 2 8.560 23.543 -4.008 8 1HB SER 2 HB2 SER 2 6.489 22.311 -5.843 9 2HB SER 2 HB1 SER 2 6.457 23.967 -5.235 10 HG SER 2 HG SER 2 7.417 23.536 -7.409 11 H ALA 3 HN ALA 3 6.630 20.570 -3.990 12 HA ALA 3 HA ALA 3 6.063 20.742 -1.227 13 1HB ALA 3 HB1 ALA 3 4.027 21.691 -1.075 14 2HB ALA 3 HB2 ALA 3 3.488 21.035 -2.621 15 3HB ALA 3 HB3 ALA 3 4.496 22.481 -2.580 16 H ALA 4 HN ALA 4 7.085 18.721 -2.712 17 HA ALA 4 HA ALA 4 5.333 16.567 -2.117 18 1HB ALA 4 HB1 ALA 4 5.834 16.291 -4.953 19 2HB ALA 4 HB2 ALA 4 4.854 17.713 -4.598 20 3HB ALA 4 HB3 ALA 4 4.328 16.121 -4.052 21 H SER 5 HN SER 5 6.455 14.708 -1.867 22 HA SER 5 HA SER 5 8.811 14.025 -3.275 23 1HB SER 5 HB2 SER 5 9.756 15.842 -1.869 24 2HB SER 5 HB1 SER 5 9.233 14.968 -0.428 25 HG SER 5 HG SER 5 11.513 14.702 -1.401 26 HA PRO 6 HA PRO 6 7.303 10.214 -1.546 27 1HB PRO 6 HB2 PRO 6 9.703 8.913 -2.554 28 2HB PRO 6 HB1 PRO 6 8.033 8.728 -3.084 29 1HG PRO 6 HG1 PRO 6 9.938 9.948 -4.594 30 2HG PRO 6 HG2 PRO 6 8.217 10.349 -4.689 31 1HD PRO 6 HD1 PRO 6 10.429 11.803 -3.304 32 2HD PRO 6 HD2 PRO 6 9.036 12.451 -4.192 33 H ALA 7 HN ALA 7 8.593 8.182 -0.518 34 HA ALA 7 HA ALA 7 9.466 7.465 1.467 35 1HB ALA 7 HB1 ALA 7 11.619 7.302 0.965 36 2HB ALA 7 HB2 ALA 7 11.863 8.922 1.619 37 3HB ALA 7 HB3 ALA 7 11.522 8.706 -0.098 38 H VAL 8 HN VAL 8 7.667 9.492 1.815 39 HA VAL 8 HA VAL 8 8.679 11.410 3.668 40 HB VAL 8 HB VAL 8 6.788 12.019 2.263 41 1HG1 VAL 8 HG21 VAL 8 4.637 10.701 3.517 42 2HG1 VAL 8 HG22 VAL 8 5.817 9.465 3.075 43 3HG1 VAL 8 HG23 VAL 8 5.180 10.556 1.844 44 1HG2 VAL 8 HG11 VAL 8 6.660 12.094 5.199 45 2HG2 VAL 8 HG12 VAL 8 5.148 12.450 4.364 46 3HG2 VAL 8 HG13 VAL 8 6.591 13.406 4.023 47 H ASP 9 HN ASP 9 9.603 9.258 4.574 48 HA ASP 9 HA ASP 9 9.853 8.046 6.462 49 1HB ASP 9 HB2 ASP 9 7.217 9.288 7.256 50 2HB ASP 9 HB1 ASP 9 8.176 8.247 8.302 51 H ILE 10 HN ILE 10 8.015 7.786 4.037 52 HA ILE 10 HA ILE 10 6.772 6.349 2.931 53 HB ILE 10 HB ILE 10 8.975 5.186 3.528 54 1HG1 ILE 10 HG11 ILE 10 8.266 3.326 2.166 55 2HG1 ILE 10 HG12 ILE 10 6.582 3.666 2.531 56 1HG2 ILE 10 HG21 ILE 10 8.634 4.256 5.608 57 2HG2 ILE 10 HG22 ILE 10 8.389 2.891 4.520 58 3HG2 ILE 10 HG23 ILE 10 6.999 3.727 5.215 59 1HD1 ILE 10 HD11 ILE 10 7.413 4.476 0.289 60 2HD1 ILE 10 HD12 ILE 10 8.385 5.657 1.183 61 3HD1 ILE 10 HD13 ILE 10 6.618 5.688 1.309 62 H GLY 11 HN GLY 11 6.637 5.205 6.326 63 1HA GLY 11 HA2 GLY 11 4.166 3.914 6.046 64 2HA GLY 11 HA1 GLY 11 4.836 4.482 7.555 65 H ASP 12 HN ASP 12 4.953 7.146 5.923 66 HA ASP 12 HA ASP 12 2.582 8.172 7.069 67 1HB ASP 12 HB1 ASP 12 4.732 9.290 5.251 68 2HB ASP 12 HB2 ASP 12 3.333 10.236 5.758 69 H ARG 13 HN ARG 13 3.671 7.203 3.922 70 HA ARG 13 HA ARG 13 1.417 8.151 2.457 71 1HB ARG 13 HB2 ARG 13 3.624 6.160 1.904 72 2HB ARG 13 HB1 ARG 13 2.477 6.712 0.704 73 1HG ARG 13 HG1 ARG 13 3.239 9.069 1.319 74 2HG ARG 13 HG2 ARG 13 4.565 8.270 2.162 75 1HD ARG 13 HD2 ARG 13 5.633 7.736 0.265 76 2HD ARG 13 HD1 ARG 13 4.145 7.429 -0.619 77 HE ARG 13 HE ARG 13 4.522 10.205 -0.005 78 1HH1 ARG 13 HH11 ARG 13 5.336 7.714 -2.298 79 2HH1 ARG 13 HH12 ARG 13 5.767 8.832 -3.546 80 1HH2 ARG 13 HH21 ARG 13 5.071 11.673 -1.642 81 2HH2 ARG 13 HH22 ARG 13 5.612 11.080 -3.176 82 H LEU 14 HN LEU 14 2.592 5.137 3.619 83 HA LEU 14 HA LEU 14 0.632 3.322 2.868 84 1HB LEU 14 HB2 LEU 14 2.599 3.668 5.079 85 2HB LEU 14 HB1 LEU 14 1.608 2.243 5.040 86 HG LEU 14 HG LEU 14 2.993 2.880 2.530 87 1HD1 LEU 14 HD11 LEU 14 4.395 2.473 5.094 88 2HD1 LEU 14 HD12 LEU 14 4.851 3.441 3.683 89 3HD1 LEU 14 HD13 LEU 14 5.046 1.681 3.654 90 1HD2 LEU 14 HD21 LEU 14 2.695 0.371 4.163 91 2HD2 LEU 14 HD22 LEU 14 3.376 0.473 2.538 92 3HD2 LEU 14 HD23 LEU 14 1.677 0.866 2.810 93 H ASP 15 HN ASP 15 1.065 5.001 5.952 94 HA ASP 15 HA ASP 15 -1.127 4.061 7.329 95 1HB ASP 15 HB1 ASP 15 0.803 5.641 8.079 96 2HB ASP 15 HB2 ASP 15 -0.248 6.934 7.516 97 H GLU 16 HN GLU 16 -0.870 6.988 5.368 98 HA GLU 16 HA GLU 16 -3.552 7.743 5.553 99 1HB GLU 16 HB2 GLU 16 -1.560 8.357 3.376 100 2HB GLU 16 HB1 GLU 16 -3.081 9.203 3.631 101 1HG GLU 16 HG2 GLU 16 -2.276 9.872 5.870 102 2HG GLU 16 HG1 GLU 16 -0.731 9.121 5.503 103 H LEU 17 HN LEU 17 -1.908 5.498 3.502 104 HA LEU 17 HA LEU 17 -3.805 5.292 1.440 105 1HB LEU 17 HB1 LEU 17 -1.449 4.391 1.396 106 2HB LEU 17 HB2 LEU 17 -1.982 3.112 2.464 107 HG LEU 17 HG LEU 17 -3.536 2.294 0.772 108 1HD1 LEU 17 HD21 LEU 17 -3.452 4.833 -0.228 109 2HD1 LEU 17 HD22 LEU 17 -4.151 3.435 -1.046 110 3HD1 LEU 17 HD23 LEU 17 -2.497 3.932 -1.407 111 1HD2 LEU 17 HD11 LEU 17 -0.798 2.732 -0.397 112 2HD2 LEU 17 HD12 LEU 17 -1.934 1.443 -0.805 113 3HD2 LEU 17 HD13 LEU 17 -1.205 1.503 0.801 114 H GLU 18 HN GLU 18 -3.303 3.449 4.358 115 HA GLU 18 HA GLU 18 -5.485 1.688 4.061 116 1HB GLU 18 HB2 GLU 18 -3.659 1.195 5.608 117 2HB GLU 18 HB1 GLU 18 -4.023 2.648 6.530 118 1HG GLU 18 HG2 GLU 18 -6.126 1.721 7.237 119 2HG GLU 18 HG1 GLU 18 -5.886 0.310 6.215 120 H LYS 19 HN LYS 19 -5.066 4.764 5.636 121 HA LYS 19 HA LYS 19 -7.579 4.864 6.803 122 1HB LYS 19 HB1 LYS 19 -5.873 7.155 5.869 123 2HB LYS 19 HB2 LYS 19 -7.145 7.232 7.087 124 1HG LYS 19 HG1 LYS 19 -4.911 5.309 7.379 125 2HG LYS 19 HG2 LYS 19 -4.660 7.008 7.805 126 1HD LYS 19 HD1 LYS 19 -6.817 5.212 8.918 127 2HD LYS 19 HD2 LYS 19 -5.305 5.594 9.739 128 1HE LYS 19 HE2 LYS 19 -5.901 7.941 9.803 129 2HE LYS 19 HE1 LYS 19 -7.381 7.607 8.906 130 1HZ LYS 19 HZ1 LYS 19 -7.767 7.829 11.298 131 2HZ LYS 19 HZ2 LYS 19 -6.744 6.515 11.591 132 3HZ LYS 19 HZ3 LYS 19 -8.185 6.288 10.736 133 H ALA 20 HN ALA 20 -6.338 5.713 3.668 134 HA ALA 20 HA ALA 20 -8.625 7.004 2.626 135 1HB ALA 20 HB1 ALA 20 -7.504 6.956 0.603 136 2HB ALA 20 HB2 ALA 20 -6.909 5.306 0.892 137 3HB ALA 20 HB3 ALA 20 -6.145 6.682 1.704 138 H LEU 21 HN LEU 21 -7.382 3.807 2.429 139 HA LEU 21 HA LEU 21 -9.280 2.528 0.944 140 1HB LEU 21 HB1 LEU 21 -7.005 1.964 2.382 141 2HB LEU 21 HB2 LEU 21 -8.234 0.969 3.070 142 HG LEU 21 HG LEU 21 -7.951 -0.460 1.478 143 1HD1 LEU 21 HD21 LEU 21 -8.791 -0.031 -0.676 144 2HD1 LEU 21 HD22 LEU 21 -8.501 1.701 -0.492 145 3HD1 LEU 21 HD23 LEU 21 -9.749 0.909 0.473 146 1HD2 LEU 21 HD11 LEU 21 -6.292 -0.179 -0.202 147 2HD2 LEU 21 HD12 LEU 21 -5.702 0.467 1.335 148 3HD2 LEU 21 HD13 LEU 21 -6.275 1.568 0.073 149 H GLU 22 HN GLU 22 -9.110 3.033 4.400 150 HA GLU 22 HA GLU 22 -11.230 1.586 5.256 151 1HB GLU 22 HB2 GLU 22 -10.296 4.301 6.157 152 2HB GLU 22 HB1 GLU 22 -11.548 3.403 7.009 153 1HG GLU 22 HG2 GLU 22 -9.965 1.589 7.424 154 2HG GLU 22 HG1 GLU 22 -8.713 2.492 6.572 155 H ALA 23 HN ALA 23 -11.157 4.521 3.518 156 HA ALA 23 HA ALA 23 -13.963 5.049 3.726 157 1HB ALA 23 HB1 ALA 23 -13.003 7.045 3.259 158 2HB ALA 23 HB2 ALA 23 -13.165 6.512 1.584 159 3HB ALA 23 HB3 ALA 23 -11.631 6.299 2.435 160 H LEU 24 HN LEU 24 -11.739 3.759 1.309 161 HA LEU 24 HA LEU 24 -13.811 3.107 -0.570 162 1HB LEU 24 HB1 LEU 24 -10.911 2.317 -0.426 163 2HB LEU 24 HB2 LEU 24 -11.972 1.885 -1.746 164 HG LEU 24 HG LEU 24 -10.481 3.768 -2.260 165 1HD1 LEU 24 HD21 LEU 24 -13.358 3.761 -2.542 166 2HD1 LEU 24 HD22 LEU 24 -12.089 4.091 -3.724 167 3HD1 LEU 24 HD23 LEU 24 -12.652 5.375 -2.655 168 1HD2 LEU 24 HD11 LEU 24 -10.400 4.731 -0.029 169 2HD2 LEU 24 HD12 LEU 24 -12.079 5.244 -0.198 170 3HD2 LEU 24 HD13 LEU 24 -10.837 5.927 -1.249 171 H SER 25 HN SER 25 -13.446 1.894 2.279 172 HA SER 25 HA SER 25 -12.876 -0.764 2.265 173 1HB SER 25 HB1 SER 25 -14.445 -0.994 4.161 174 2HB SER 25 HB2 SER 25 -13.412 0.422 4.298 175 HG SER 25 HG SER 25 -15.794 0.862 2.995 176 H ALA 26 HN ALA 26 -13.478 -1.562 0.204 177 HA ALA 26 HA ALA 26 -14.809 -2.612 -1.328 178 1HB ALA 26 HB1 ALA 26 -14.703 -4.116 0.718 179 2HB ALA 26 HB2 ALA 26 -15.987 -4.432 -0.449 180 3HB ALA 26 HB3 ALA 26 -16.344 -3.571 1.048 181 H GLU 27 HN GLU 27 -15.647 0.018 -0.497 182 HA GLU 27 HA GLU 27 -18.407 0.252 -0.166 183 1HB GLU 27 HB1 GLU 27 -16.300 2.114 -1.171 184 2HB GLU 27 HB2 GLU 27 -17.986 2.596 -1.099 185 1HG GLU 27 HG2 GLU 27 -16.455 1.515 1.245 186 2HG GLU 27 HG1 GLU 27 -16.596 3.236 0.885 187 H ASP 28 HN ASP 28 -16.495 -0.048 -3.094 188 HA ASP 28 HA ASP 28 -18.924 -0.555 -4.566 189 1HB ASP 28 HB2 ASP 28 -18.440 1.960 -4.484 190 2HB ASP 28 HB1 ASP 28 -17.115 1.599 -5.580 191 H GLY 29 HN GLY 29 -17.091 -2.327 -4.043 192 1HA GLY 29 HA1 GLY 29 -15.744 -3.910 -4.977 193 2HA GLY 29 HA2 GLY 29 -16.409 -3.391 -6.514 194 H HIS 30 HN HIS 30 -14.320 -1.769 -4.143 195 HA HIS 30 HA HIS 30 -12.676 -0.763 -6.245 196 1HB HIS 30 HB1 HIS 30 -12.431 -0.561 -3.242 197 2HB HIS 30 HB2 HIS 30 -11.278 0.158 -4.362 198 HD1 HIS 30 HD1 HIS 30 -12.639 1.705 -6.300 199 HD2 HIS 30 HD2 HIS 30 -14.307 1.272 -2.524 200 HE1 HIS 30 HE1 HIS 30 -14.251 3.615 -6.054 201 HE2 HIS 30 HE2 HIS 30 -15.330 3.267 -3.804 202 H ASP 31 HN ASP 31 -12.663 -3.490 -6.432 203 HA ASP 31 HA ASP 31 -10.566 -4.798 -5.114 204 1HB ASP 31 HB1 ASP 31 -10.705 -6.471 -6.855 205 2HB ASP 31 HB2 ASP 31 -12.330 -5.943 -6.443 206 H ASP 32 HN ASP 32 -10.534 -2.336 -7.428 207 HA ASP 32 HA ASP 32 -8.065 -2.912 -8.714 208 1HB ASP 32 HB1 ASP 32 -8.151 -0.537 -9.447 209 2HB ASP 32 HB2 ASP 32 -9.642 -1.406 -9.786 210 H VAL 33 HN VAL 33 -8.979 -1.573 -5.736 211 HA VAL 33 HA VAL 33 -6.638 -0.129 -5.182 212 HB VAL 33 HB VAL 33 -8.571 -1.443 -3.296 213 1HG1 VAL 33 HG21 VAL 33 -7.080 1.003 -2.556 214 2HG1 VAL 33 HG22 VAL 33 -6.149 -0.504 -2.621 215 3HG1 VAL 33 HG23 VAL 33 -7.565 -0.377 -1.570 216 1HG2 VAL 33 HG11 VAL 33 -9.943 0.355 -3.485 217 2HG2 VAL 33 HG12 VAL 33 -9.260 0.347 -5.115 218 3HG2 VAL 33 HG13 VAL 33 -8.626 1.456 -3.893 219 H GLY 34 HN GLY 34 -7.721 -3.408 -4.410 220 1HA GLY 34 HA2 GLY 34 -5.420 -4.169 -2.959 221 2HA GLY 34 HA1 GLY 34 -6.571 -5.264 -3.696 222 H GLN 35 HN GLN 35 -6.162 -4.076 -6.365 223 HA GLN 35 HA GLN 35 -4.047 -5.768 -7.189 224 1HB GLN 35 HB2 GLN 35 -4.764 -5.364 -9.318 225 2HB GLN 35 HB1 GLN 35 -6.185 -4.785 -8.460 226 1HG GLN 35 HG2 GLN 35 -5.413 -2.507 -8.643 227 2HG GLN 35 HG1 GLN 35 -3.935 -3.045 -9.432 228 1HE2 GLN 35 HE22 GLN 35 -6.194 -5.089 -10.548 229 2HE2 GLN 35 HE21 GLN 35 -6.699 -4.247 -11.968 230 H ARG 36 HN ARG 36 -4.364 -2.378 -6.551 231 HA ARG 36 HA ARG 36 -1.795 -1.634 -7.479 232 1HB ARG 36 HB1 ARG 36 -3.596 -0.214 -5.507 233 2HB ARG 36 HB2 ARG 36 -2.244 0.490 -6.382 234 1HG ARG 36 HG1 ARG 36 -4.593 -0.659 -7.825 235 2HG ARG 36 HG2 ARG 36 -4.579 1.003 -7.226 236 1HD ARG 36 HD2 ARG 36 -2.549 1.437 -8.474 237 2HD ARG 36 HD1 ARG 36 -2.546 -0.215 -9.066 238 HE ARG 36 HE ARG 36 -4.992 0.996 -9.738 239 1HH1 ARG 36 HH11 ARG 36 -1.611 1.149 -10.554 240 2HH1 ARG 36 HH12 ARG 36 -1.892 1.709 -12.169 241 1HH2 ARG 36 HH21 ARG 36 -5.376 1.738 -11.862 242 2HH2 ARG 36 HH22 ARG 36 -4.033 2.045 -12.912 243 H LEU 37 HN LEU 37 -3.341 -2.300 -4.417 244 HA LEU 37 HA LEU 37 -1.343 -1.881 -2.619 245 1HB LEU 37 HB2 LEU 37 -3.824 -3.424 -2.855 246 2HB LEU 37 HB1 LEU 37 -2.762 -3.867 -1.589 247 HG LEU 37 HG LEU 37 -3.733 -1.173 -2.013 248 1HD1 LEU 37 HD21 LEU 37 -5.598 -1.673 -0.919 249 2HD1 LEU 37 HD22 LEU 37 -4.636 -2.257 0.441 250 3HD1 LEU 37 HD23 LEU 37 -5.074 -3.357 -0.866 251 1HD2 LEU 37 HD11 LEU 37 -2.756 -0.672 0.149 252 2HD2 LEU 37 HD12 LEU 37 -1.538 -1.335 -0.942 253 3HD2 LEU 37 HD13 LEU 37 -2.254 -2.357 0.305 254 H GLU 38 HN GLU 38 -2.227 -4.838 -4.326 255 HA GLU 38 HA GLU 38 -0.255 -6.438 -3.150 256 1HB GLU 38 HB2 GLU 38 -2.409 -7.044 -4.485 257 2HB GLU 38 HB1 GLU 38 -1.349 -6.983 -5.877 258 1HG GLU 38 HG2 GLU 38 0.111 -8.654 -4.787 259 2HG GLU 38 HG1 GLU 38 -1.056 -8.766 -3.471 260 H SER 39 HN SER 39 -0.491 -4.789 -6.183 261 HA SER 39 HA SER 39 1.928 -5.476 -7.366 262 1HB SER 39 HB2 SER 39 0.120 -4.066 -8.405 263 2HB SER 39 HB1 SER 39 0.681 -2.715 -7.431 264 HG SER 39 HG SER 39 2.676 -2.843 -8.482 265 H LEU 40 HN LEU 40 1.200 -2.915 -5.051 266 HA LEU 40 HA LEU 40 3.574 -1.624 -4.829 267 1HB LEU 40 HB1 LEU 40 1.584 -2.414 -2.720 268 2HB LEU 40 HB2 LEU 40 2.910 -1.326 -2.427 269 HG LEU 40 HG LEU 40 0.718 -0.825 -4.422 270 1HD1 LEU 40 HD21 LEU 40 0.565 -0.735 -1.657 271 2HD1 LEU 40 HD22 LEU 40 -0.531 0.041 -2.801 272 3HD1 LEU 40 HD23 LEU 40 0.834 0.942 -2.138 273 1HD2 LEU 40 HD11 LEU 40 2.591 1.219 -3.314 274 2HD2 LEU 40 HD12 LEU 40 1.650 1.250 -4.806 275 3HD2 LEU 40 HD13 LEU 40 3.077 0.217 -4.685 276 H LEU 41 HN LEU 41 2.494 -4.436 -2.963 277 HA LEU 41 HA LEU 41 5.000 -4.805 -1.700 278 1HB LEU 41 HB2 LEU 41 2.447 -6.148 -1.801 279 2HB LEU 41 HB1 LEU 41 3.801 -7.136 -1.360 280 HG LEU 41 HG LEU 41 2.918 -4.609 0.026 281 1HD1 LEU 41 HD21 LEU 41 2.301 -6.062 1.841 282 2HD1 LEU 41 HD22 LEU 41 2.917 -7.466 0.968 283 3HD1 LEU 41 HD23 LEU 41 1.493 -6.611 0.374 284 1HD2 LEU 41 HD11 LEU 41 4.809 -4.595 1.216 285 2HD2 LEU 41 HD12 LEU 41 5.473 -5.561 -0.106 286 3HD2 LEU 41 HD13 LEU 41 4.847 -6.355 1.349 287 H ARG 42 HN ARG 42 3.323 -6.792 -4.142 288 HA ARG 42 HA ARG 42 5.252 -8.694 -4.433 289 1HB ARG 42 HB2 ARG 42 3.532 -7.440 -6.591 290 2HB ARG 42 HB1 ARG 42 4.520 -8.867 -6.858 291 1HG ARG 42 HG1 ARG 42 2.294 -8.654 -4.844 292 2HG ARG 42 HG2 ARG 42 2.170 -9.410 -6.433 293 1HD ARG 42 HD1 ARG 42 3.937 -10.998 -5.794 294 2HD ARG 42 HD2 ARG 42 4.004 -10.260 -4.195 295 HE ARG 42 HE ARG 42 2.187 -12.231 -5.033 296 1HH1 ARG 42 HH11 ARG 42 2.263 -9.250 -3.224 297 2HH1 ARG 42 HH12 ARG 42 0.887 -9.657 -2.253 298 1HH2 ARG 42 HH21 ARG 42 0.376 -12.769 -3.760 299 2HH2 ARG 42 HH22 ARG 42 -0.184 -11.655 -2.557 300 H ARG 43 HN ARG 43 5.321 -5.400 -5.348 301 HA ARG 43 HA ARG 43 7.727 -5.709 -6.903 302 1HB ARG 43 HB2 ARG 43 6.193 -3.212 -6.176 303 2HB ARG 43 HB1 ARG 43 7.602 -3.259 -7.226 304 1HG ARG 43 HG1 ARG 43 4.891 -4.453 -7.747 305 2HG ARG 43 HG2 ARG 43 5.662 -3.116 -8.597 306 1HD ARG 43 HD2 ARG 43 7.432 -4.689 -9.347 307 2HD ARG 43 HD1 ARG 43 6.524 -5.999 -8.596 308 HE ARG 43 HE ARG 43 4.808 -4.667 -10.339 309 1HH1 ARG 43 HH11 ARG 43 7.704 -6.601 -10.471 310 2HH1 ARG 43 HH12 ARG 43 7.355 -7.248 -12.040 311 1HH2 ARG 43 HH21 ARG 43 4.340 -5.516 -12.404 312 2HH2 ARG 43 HH22 ARG 43 5.443 -6.631 -13.138 313 H TRP 44 HN TRP 44 6.572 -4.611 -3.808 314 HA TRP 44 HA TRP 44 8.984 -3.463 -2.887 315 1HB TRP 44 HB2 TRP 44 6.801 -2.883 -1.940 316 2HB TRP 44 HB1 TRP 44 6.613 -4.545 -1.381 317 HD1 TRP 44 HD1 TRP 44 7.073 -4.778 1.017 318 HE1 TRP 44 HE1 TRP 44 8.646 -3.696 2.769 319 HE3 TRP 44 HE3 TRP 44 9.526 -1.487 -2.027 320 HZ2 TRP 44 HZ2 TRP 44 10.683 -1.744 2.804 321 HZ3 TRP 44 HZ3 TRP 44 11.266 -0.059 -1.021 322 HH2 TRP 44 HH2 TRP 44 11.812 -0.172 1.305 323 H ASN 45 HN ASN 45 7.313 -6.474 -1.960 324 HA ASN 45 HA ASN 45 9.343 -7.558 -0.431 325 1HB ASN 45 HB1 ASN 45 7.099 -8.776 -1.991 326 2HB ASN 45 HB2 ASN 45 8.166 -9.756 -1.005 327 1HD2 ASN 45 HD21 ASN 45 5.353 -8.091 -1.116 328 2HD2 ASN 45 HD22 ASN 45 5.075 -7.899 0.567 329 H SER 46 HN SER 46 8.786 -7.796 -3.850 330 HA SER 46 HA SER 46 10.685 -9.780 -4.434 331 1HB SER 46 HB2 SER 46 8.938 -9.132 -6.015 332 2HB SER 46 HB1 SER 46 9.678 -7.538 -6.184 333 HG SER 46 HG SER 46 10.306 -9.852 -7.427 334 H ARG 47 HN ARG 47 10.946 -6.233 -4.497 335 HA ARG 47 HA ARG 47 13.592 -6.108 -5.402 336 1HB ARG 47 HB1 ARG 47 11.924 -4.226 -3.757 337 2HB ARG 47 HB2 ARG 47 13.576 -3.844 -4.220 338 1HG ARG 47 HG2 ARG 47 13.026 -3.866 -6.529 339 2HG ARG 47 HG1 ARG 47 11.429 -4.549 -6.202 340 1HD ARG 47 HD2 ARG 47 10.695 -2.558 -5.170 341 2HD ARG 47 HD1 ARG 47 12.320 -1.893 -5.134 342 HE ARG 47 HE ARG 47 11.903 -1.042 -7.198 343 1HH1 ARG 47 HH11 ARG 47 9.949 -3.902 -6.807 344 2HH1 ARG 47 HH12 ARG 47 9.200 -3.757 -8.360 345 1HH2 ARG 47 HH21 ARG 47 10.922 -0.848 -9.243 346 2HH2 ARG 47 HH22 ARG 47 9.753 -2.023 -9.745 347 H ARG 48 HN ARG 48 12.233 -6.541 -2.210 348 HA ARG 48 HA ARG 48 14.495 -6.109 -0.640 349 1HB ARG 48 HB2 ARG 48 12.231 -8.080 -0.306 350 2HB ARG 48 HB1 ARG 48 13.418 -7.739 0.934 351 1HG ARG 48 HG2 ARG 48 12.689 -5.397 0.977 352 2HG ARG 48 HG1 ARG 48 11.484 -5.766 -0.259 353 1HD ARG 48 HD2 ARG 48 10.462 -5.756 1.941 354 2HD ARG 48 HD1 ARG 48 10.436 -7.379 1.253 355 HE ARG 48 HE ARG 48 12.736 -7.132 2.817 356 1HH1 ARG 48 HH11 ARG 48 9.275 -7.200 3.204 357 2HH1 ARG 48 HH12 ARG 48 9.338 -7.876 4.797 358 1HH2 ARG 48 HH21 ARG 48 12.829 -8.022 4.912 359 2HH2 ARG 48 HH22 ARG 48 11.359 -8.343 5.769 360 H ALA 49 HN ALA 49 13.271 -9.098 -2.050 361 HA ALA 49 HA ALA 49 15.347 -10.789 -1.305 362 1HB ALA 49 HB1 ALA 49 13.224 -10.858 -3.366 363 2HB ALA 49 HB2 ALA 49 13.570 -11.994 -2.061 364 3HB ALA 49 HB3 ALA 49 14.556 -12.004 -3.524 365 H ASP 50 HN ASP 50 14.998 -8.687 -4.055 366 HA ASP 50 HA ASP 50 17.398 -9.606 -5.347 367 1HB ASP 50 HB2 ASP 50 15.632 -7.214 -5.895 368 2HB ASP 50 HB1 ASP 50 16.969 -7.727 -6.914 369 H ALA 51 HN ALA 51 18.070 -8.919 -2.785 370 HA ALA 51 HA ALA 51 20.186 -7.096 -3.188 371 1HB ALA 51 HB1 ALA 51 18.960 -5.207 -2.960 372 2HB ALA 51 HB2 ALA 51 19.175 -5.553 -1.244 373 3HB ALA 51 HB3 ALA 51 17.680 -6.018 -2.057 374 HA PRO 52 HA PRO 52 21.582 -9.605 0.198 375 1HB PRO 52 HB2 PRO 52 23.796 -8.144 0.862 376 2HB PRO 52 HB1 PRO 52 23.733 -9.257 -0.505 377 1HG PRO 52 HG1 PRO 52 23.419 -6.282 -0.469 378 2HG PRO 52 HG2 PRO 52 24.315 -7.297 -1.611 379 1HD PRO 52 HD2 PRO 52 21.884 -6.301 -2.198 380 2HD PRO 52 HD1 PRO 52 22.404 -7.900 -2.768 381 H SER 53 HN SER 53 21.672 -6.078 0.640 382 HA SER 53 HA SER 53 21.615 -6.105 3.451 383 1HB SER 53 HB2 SER 53 22.272 -4.117 2.178 384 2HB SER 53 HB1 SER 53 20.635 -3.972 1.537 385 HG SER 53 HG SER 53 21.537 -3.588 4.184 386 H THR 54 HN THR 54 20.003 -6.211 4.913 387 HA THR 54 HA THR 54 17.248 -5.802 4.236 388 HB THR 54 HB THR 54 18.135 -8.619 4.899 389 HG1 THR 54 HG1 THR 54 18.415 -8.236 2.716 390 1HG2 THR 54 HG21 THR 54 15.407 -7.370 4.631 391 2HG2 THR 54 HG22 THR 54 16.068 -8.254 6.007 392 3HG2 THR 54 HG23 THR 54 15.679 -9.109 4.514 393 H SER 55 HN SER 55 19.520 -7.265 6.531 394 HA SER 55 HA SER 55 18.741 -5.590 8.662 395 1HB SER 55 HB1 SER 55 17.713 -7.317 10.137 396 2HB SER 55 HB2 SER 55 16.721 -6.936 8.730 397 HG SER 55 HG SER 55 16.812 -8.965 8.260 398 H ALA 56 HN ALA 56 20.307 -5.549 10.160 399 HA ALA 56 HA ALA 56 22.225 -6.019 11.283 400 1HB ALA 56 HB1 ALA 56 21.128 -8.033 12.030 401 2HB ALA 56 HB2 ALA 56 22.818 -8.387 11.669 402 3HB ALA 56 HB3 ALA 56 21.555 -8.863 10.533 403 H ILE 57 HN ILE 57 24.322 -5.800 10.769 404 HA ILE 57 HA ILE 57 25.151 -5.675 8.103 405 HB ILE 57 HB ILE 57 26.828 -5.866 10.591 406 1HG1 ILE 57 HG12 ILE 57 25.686 -3.583 8.982 407 2HG1 ILE 57 HG11 ILE 57 25.423 -3.944 10.686 408 1HG2 ILE 57 HG21 ILE 57 27.714 -4.756 7.946 409 2HG2 ILE 57 HG22 ILE 57 27.926 -6.460 8.347 410 3HG2 ILE 57 HG23 ILE 57 28.697 -5.220 9.336 411 1HD1 ILE 57 HD11 ILE 57 26.897 -2.042 10.371 412 2HD1 ILE 57 HD12 ILE 57 28.012 -3.062 9.464 413 3HD1 ILE 57 HD13 ILE 57 27.722 -3.378 11.174 414 H SER 58 HN SER 58 25.741 -8.148 10.577 415 HA SER 58 HA SER 58 25.787 -10.282 8.739 416 1HB SER 58 HB2 SER 58 27.952 -9.344 8.070 417 2HB SER 58 HB1 SER 58 28.506 -9.396 9.741 418 HG SER 58 HG SER 58 27.609 -11.722 8.420 419 H GLU 59 HN GLU 59 27.119 -9.127 11.817 420 HA GLU 59 HA GLU 59 27.162 -11.623 13.120 421 1HB GLU 59 HB2 GLU 59 26.870 -8.856 14.304 422 2HB GLU 59 HB1 GLU 59 27.286 -10.306 15.204 423 1HG GLU 59 HG2 GLU 59 29.340 -10.528 13.903 424 2HG GLU 59 HG1 GLU 59 28.922 -9.074 12.999 425 H ASP 60 HN ASP 60 25.654 -12.763 14.207 426 HA ASP 60 HA ASP 60 22.927 -12.346 13.699 427 1HB ASP 60 HB1 ASP 60 23.905 -14.553 14.220 428 2HB ASP 60 HB2 ASP 60 24.191 -14.028 15.874 429 1H GLY 1 HT1 GLY 1 -11.603 20.860 6.527 430 2H GLY 1 HT2 GLY 1 -10.448 19.757 7.085 431 3H GLY 1 HT3 GLY 1 -11.984 19.214 6.631 432 1HA GLY 1 HA2 GLY 1 -10.125 18.812 4.988 433 2HA GLY 1 HA1 GLY 1 -11.597 19.545 4.372 434 H SER 2 HN SER 2 -8.933 20.979 6.229 435 HA SER 2 HA SER 2 -8.858 23.336 4.707 436 1HB SER 2 HB2 SER 2 -6.693 22.114 6.436 437 2HB SER 2 HB1 SER 2 -6.716 23.781 5.858 438 HG SER 2 HG SER 2 -7.584 23.283 8.061 439 H ALA 3 HN ALA 3 -6.870 20.406 4.564 440 HA ALA 3 HA ALA 3 -6.417 20.633 1.783 441 1HB ALA 3 HB1 ALA 3 -4.401 21.617 1.570 442 2HB ALA 3 HB2 ALA 3 -3.796 20.948 3.085 443 3HB ALA 3 HB3 ALA 3 -4.829 22.378 3.103 444 H ALA 4 HN ALA 4 -7.339 18.587 3.325 445 HA ALA 4 HA ALA 4 -5.640 16.448 2.582 446 1HB ALA 4 HB1 ALA 4 -5.853 16.137 5.445 447 2HB ALA 4 HB2 ALA 4 -4.946 17.589 5.026 448 3HB ALA 4 HB3 ALA 4 -4.435 16.020 4.403 449 H SER 5 HN SER 5 -6.792 14.602 2.409 450 HA SER 5 HA SER 5 -8.971 13.885 4.059 451 1HB SER 5 HB1 SER 5 -10.124 15.699 2.881 452 2HB SER 5 HB2 SER 5 -9.700 14.979 1.330 453 HG SER 5 HG SER 5 -11.844 14.464 2.062 454 HA PRO 6 HA PRO 6 -7.654 10.077 2.184 455 1HB PRO 6 HB1 PRO 6 -10.099 8.921 3.346 456 2HB PRO 6 HB2 PRO 6 -8.411 8.521 3.664 457 1HG PRO 6 HG2 PRO 6 -9.917 9.818 5.469 458 2HG PRO 6 HG1 PRO 6 -8.189 10.157 5.277 459 1HD PRO 6 HD2 PRO 6 -10.548 11.704 4.271 460 2HD PRO 6 HD1 PRO 6 -9.034 12.297 4.982 461 H ALA 7 HN ALA 7 -9.308 8.060 1.355 462 HA ALA 7 HA ALA 7 -10.315 7.390 -0.586 463 1HB ALA 7 HB1 ALA 7 -12.459 7.536 -0.044 464 2HB ALA 7 HB2 ALA 7 -12.498 9.163 -0.723 465 3HB ALA 7 HB3 ALA 7 -12.136 8.928 0.987 466 H VAL 8 HN VAL 8 -8.266 9.306 -0.984 467 HA VAL 8 HA VAL 8 -9.151 11.265 -2.890 468 HB VAL 8 HB VAL 8 -7.167 11.598 -1.430 469 1HG1 VAL 8 HG21 VAL 8 -5.192 10.252 -2.945 470 2HG1 VAL 8 HG22 VAL 8 -6.415 9.074 -2.466 471 3HG1 VAL 8 HG23 VAL 8 -5.604 10.053 -1.242 472 1HG2 VAL 8 HG11 VAL 8 -7.104 11.885 -4.380 473 2HG2 VAL 8 HG12 VAL 8 -5.599 12.182 -3.510 474 3HG2 VAL 8 HG13 VAL 8 -7.041 13.118 -3.121 475 H ASP 9 HN ASP 9 -10.259 9.182 -3.891 476 HA ASP 9 HA ASP 9 -10.543 8.059 -5.847 477 1HB ASP 9 HB2 ASP 9 -7.775 9.070 -6.542 478 2HB ASP 9 HB1 ASP 9 -8.834 8.195 -7.642 479 H ILE 10 HN ILE 10 -8.215 7.549 -3.542 480 HA ILE 10 HA ILE 10 -7.245 5.717 -2.629 481 HB ILE 10 HB ILE 10 -9.546 4.720 -3.368 482 1HG1 ILE 10 HG12 ILE 10 -8.865 2.562 -2.435 483 2HG1 ILE 10 HG11 ILE 10 -7.182 2.963 -2.719 484 1HG2 ILE 10 HG21 ILE 10 -9.405 4.050 -5.536 485 2HG2 ILE 10 HG22 ILE 10 -8.867 2.568 -4.750 486 3HG2 ILE 10 HG23 ILE 10 -7.683 3.681 -5.428 487 1HD1 ILE 10 HD11 ILE 10 -7.456 3.391 -0.467 488 2HD1 ILE 10 HD12 ILE 10 -9.065 4.078 -0.695 489 3HD1 ILE 10 HD13 ILE 10 -7.637 4.988 -1.194 490 H GLY 11 HN GLY 11 -7.285 5.654 -6.179 491 1HA GLY 11 HA2 GLY 11 -4.968 4.036 -6.440 492 2HA GLY 11 HA1 GLY 11 -5.679 5.037 -7.697 493 H ASP 12 HN ASP 12 -5.466 7.484 -6.067 494 HA ASP 12 HA ASP 12 -2.974 8.376 -6.978 495 1HB ASP 12 HB2 ASP 12 -4.850 9.532 -4.913 496 2HB ASP 12 HB1 ASP 12 -3.413 10.366 -5.490 497 H ARG 13 HN ARG 13 -4.002 7.608 -3.642 498 HA ARG 13 HA ARG 13 -1.439 8.037 -2.518 499 1HB ARG 13 HB2 ARG 13 -3.844 6.511 -1.524 500 2HB ARG 13 HB1 ARG 13 -2.372 6.702 -0.576 501 1HG ARG 13 HG1 ARG 13 -2.628 9.122 -0.648 502 2HG ARG 13 HG2 ARG 13 -4.084 8.944 -1.625 503 1HD ARG 13 HD2 ARG 13 -5.226 7.841 0.181 504 2HD ARG 13 HD1 ARG 13 -3.753 7.826 1.153 505 HE ARG 13 HE ARG 13 -4.316 10.476 0.472 506 1HH1 ARG 13 HH11 ARG 13 -5.716 7.919 2.375 507 2HH1 ARG 13 HH12 ARG 13 -6.433 8.994 3.526 508 1HH2 ARG 13 HH21 ARG 13 -5.257 11.897 1.980 509 2HH2 ARG 13 HH22 ARG 13 -6.174 11.254 3.301 510 H LEU 14 HN LEU 14 -3.034 5.230 -3.878 511 HA LEU 14 HA LEU 14 -1.172 3.274 -3.061 512 1HB LEU 14 HB2 LEU 14 -3.140 3.456 -5.324 513 2HB LEU 14 HB1 LEU 14 -2.082 2.070 -5.153 514 HG LEU 14 HG LEU 14 -3.825 2.924 -2.867 515 1HD1 LEU 14 HD11 LEU 14 -4.666 1.739 -5.427 516 2HD1 LEU 14 HD12 LEU 14 -5.601 2.620 -4.218 517 3HD1 LEU 14 HD13 LEU 14 -5.238 0.910 -3.980 518 1HD2 LEU 14 HD21 LEU 14 -2.702 0.277 -3.772 519 2HD2 LEU 14 HD22 LEU 14 -3.671 0.545 -2.322 520 3HD2 LEU 14 HD23 LEU 14 -2.072 1.277 -2.463 521 H ASP 15 HN ASP 15 -1.446 5.211 -6.010 522 HA ASP 15 HA ASP 15 0.778 4.126 -7.350 523 1HB ASP 15 HB2 ASP 15 -1.006 5.457 -8.448 524 2HB ASP 15 HB1 ASP 15 -0.412 6.896 -7.627 525 H GLU 16 HN GLU 16 0.423 7.022 -5.324 526 HA GLU 16 HA GLU 16 3.083 7.898 -5.536 527 1HB GLU 16 HB2 GLU 16 1.082 8.314 -3.309 528 2HB GLU 16 HB1 GLU 16 2.605 9.179 -3.456 529 1HG GLU 16 HG1 GLU 16 1.864 10.101 -5.601 530 2HG GLU 16 HG2 GLU 16 0.328 9.257 -5.422 531 H LEU 17 HN LEU 17 1.490 5.749 -3.210 532 HA LEU 17 HA LEU 17 3.573 5.397 -1.405 533 1HB LEU 17 HB1 LEU 17 1.257 4.482 -1.173 534 2HB LEU 17 HB2 LEU 17 1.677 3.242 -2.338 535 HG LEU 17 HG LEU 17 3.320 2.303 -0.850 536 1HD1 LEU 17 HD21 LEU 17 3.457 4.868 0.209 537 2HD1 LEU 17 HD22 LEU 17 4.330 3.443 0.769 538 3HD1 LEU 17 HD23 LEU 17 2.790 3.880 1.510 539 1HD2 LEU 17 HD11 LEU 17 0.693 2.902 0.491 540 2HD2 LEU 17 HD12 LEU 17 1.875 1.749 1.118 541 3HD2 LEU 17 HD13 LEU 17 1.130 1.478 -0.456 542 H GLU 18 HN GLU 18 2.907 3.739 -4.471 543 HA GLU 18 HA GLU 18 5.048 1.900 -4.351 544 1HB GLU 18 HB1 GLU 18 2.969 2.023 -5.953 545 2HB GLU 18 HB2 GLU 18 4.040 2.990 -6.956 546 1HG GLU 18 HG1 GLU 18 5.678 1.107 -6.867 547 2HG GLU 18 HG2 GLU 18 4.439 0.150 -6.069 548 H LYS 19 HN LYS 19 4.699 5.036 -5.965 549 HA LYS 19 HA LYS 19 7.194 5.257 -7.137 550 1HB LYS 19 HB2 LYS 19 5.031 7.039 -6.404 551 2HB LYS 19 HB1 LYS 19 6.587 7.820 -6.169 552 1HG LYS 19 HG2 LYS 19 5.697 8.291 -8.369 553 2HG LYS 19 HG1 LYS 19 7.181 7.345 -8.484 554 1HD LYS 19 HD2 LYS 19 5.922 5.335 -8.907 555 2HD LYS 19 HD1 LYS 19 4.402 6.196 -8.655 556 1HE LYS 19 HE1 LYS 19 4.879 5.900 -11.034 557 2HE LYS 19 HE2 LYS 19 4.860 7.604 -10.585 558 1HZ LYS 19 HZ1 LYS 19 7.037 7.835 -11.030 559 2HZ LYS 19 HZ2 LYS 19 6.793 6.487 -12.020 560 3HZ LYS 19 HZ3 LYS 19 7.447 6.291 -10.472 561 H ALA 20 HN ALA 20 6.171 5.890 -3.845 562 HA ALA 20 HA ALA 20 8.582 7.035 -2.927 563 1HB ALA 20 HB1 ALA 20 7.545 7.188 -0.932 564 2HB ALA 20 HB2 ALA 20 6.935 5.536 -1.002 565 3HB ALA 20 HB3 ALA 20 6.117 6.815 -1.896 566 H LEU 21 HN LEU 21 7.276 3.718 -2.619 567 HA LEU 21 HA LEU 21 9.389 2.611 -1.211 568 1HB LEU 21 HB1 LEU 21 7.834 1.232 -3.387 569 2HB LEU 21 HB2 LEU 21 8.777 0.446 -2.137 570 HG LEU 21 HG LEU 21 6.030 1.430 -2.081 571 1HD1 LEU 21 HD21 LEU 21 5.735 -0.554 -1.130 572 2HD1 LEU 21 HD22 LEU 21 6.957 -0.227 0.098 573 3HD1 LEU 21 HD23 LEU 21 7.436 -0.860 -1.475 574 1HD2 LEU 21 HD11 LEU 21 7.630 1.809 0.425 575 2HD2 LEU 21 HD12 LEU 21 5.954 2.261 0.111 576 3HD2 LEU 21 HD13 LEU 21 7.266 3.142 -0.671 577 H GLU 22 HN GLU 22 9.057 3.190 -4.678 578 HA GLU 22 HA GLU 22 11.200 1.798 -5.680 579 1HB GLU 22 HB2 GLU 22 10.345 4.597 -6.453 580 2HB GLU 22 HB1 GLU 22 11.366 3.544 -7.423 581 1HG GLU 22 HG2 GLU 22 9.518 1.935 -7.589 582 2HG GLU 22 HG1 GLU 22 8.498 3.033 -6.662 583 H ALA 23 HN ALA 23 11.165 4.818 -3.907 584 HA ALA 23 HA ALA 23 13.958 5.356 -4.193 585 1HB ALA 23 HB1 ALA 23 12.993 7.325 -3.681 586 2HB ALA 23 HB2 ALA 23 13.234 6.795 -2.016 587 3HB ALA 23 HB3 ALA 23 11.670 6.566 -2.797 588 H LEU 24 HN LEU 24 11.915 3.949 -1.649 589 HA LEU 24 HA LEU 24 14.254 3.335 -0.020 590 1HB LEU 24 HB1 LEU 24 11.364 2.676 0.529 591 2HB LEU 24 HB2 LEU 24 12.692 2.609 1.668 592 HG LEU 24 HG LEU 24 12.863 5.186 1.067 593 1HD1 LEU 24 HD11 LEU 24 10.210 4.318 0.113 594 2HD1 LEU 24 HD12 LEU 24 11.241 5.641 -0.436 595 3HD1 LEU 24 HD13 LEU 24 10.279 5.822 1.033 596 1HD2 LEU 24 HD21 LEU 24 12.470 4.133 3.287 597 2HD2 LEU 24 HD22 LEU 24 10.743 4.137 2.927 598 3HD2 LEU 24 HD23 LEU 24 11.622 5.661 3.050 599 H SER 25 HN SER 25 13.277 1.988 -2.667 600 HA SER 25 HA SER 25 12.459 -0.590 -2.263 601 1HB SER 25 HB2 SER 25 13.455 -1.140 -4.405 602 2HB SER 25 HB1 SER 25 12.737 0.465 -4.476 603 HG SER 25 HG SER 25 15.174 0.892 -3.721 604 H ALA 26 HN ALA 26 13.395 -1.253 -0.278 605 HA ALA 26 HA ALA 26 14.875 -2.336 1.063 606 1HB ALA 26 HB1 ALA 26 14.444 -3.851 -1.044 607 2HB ALA 26 HB2 ALA 26 15.632 -4.306 0.179 608 3HB ALA 26 HB3 ALA 26 16.160 -3.556 -1.328 609 H GLU 27 HN GLU 27 15.702 0.269 0.307 610 HA GLU 27 HA GLU 27 18.434 0.293 -0.495 611 1HB GLU 27 HB2 GLU 27 16.680 2.380 0.789 612 2HB GLU 27 HB1 GLU 27 18.346 2.681 0.324 613 1HG GLU 27 HG1 GLU 27 16.178 1.799 -1.562 614 2HG GLU 27 HG2 GLU 27 16.695 3.467 -1.330 615 H ASP 28 HN ASP 28 16.801 0.233 2.623 616 HA ASP 28 HA ASP 28 19.334 -0.419 3.894 617 1HB ASP 28 HB1 ASP 28 19.164 2.060 4.003 618 2HB ASP 28 HB2 ASP 28 17.649 1.892 4.880 619 H GLY 29 HN GLY 29 17.478 -2.260 3.548 620 1HA GLY 29 HA1 GLY 29 16.147 -3.789 4.628 621 2HA GLY 29 HA2 GLY 29 16.863 -3.176 6.112 622 H HIS 30 HN HIS 30 14.702 -1.728 3.698 623 HA HIS 30 HA HIS 30 13.123 -0.466 5.714 624 1HB HIS 30 HB2 HIS 30 12.932 -0.673 2.721 625 2HB HIS 30 HB1 HIS 30 11.683 0.135 3.656 626 HD1 HIS 30 HD1 HIS 30 13.002 1.932 5.502 627 HD2 HIS 30 HD2 HIS 30 14.669 1.141 1.779 628 HE1 HIS 30 HE1 HIS 30 14.576 3.841 5.054 629 HE2 HIS 30 HE2 HIS 30 15.525 3.377 2.767 630 H ASP 31 HN ASP 31 13.154 -3.267 6.067 631 HA ASP 31 HA ASP 31 11.042 -4.727 5.091 632 1HB ASP 31 HB1 ASP 31 12.604 -5.826 6.487 633 2HB ASP 31 HB2 ASP 31 12.348 -4.690 7.806 634 H ASP 32 HN ASP 32 11.013 -2.143 7.441 635 HA ASP 32 HA ASP 32 8.522 -2.544 8.609 636 1HB ASP 32 HB2 ASP 32 8.543 -0.086 9.046 637 2HB ASP 32 HB1 ASP 32 10.026 -0.905 9.517 638 H VAL 33 HN VAL 33 9.344 -1.089 5.502 639 HA VAL 33 HA VAL 33 6.797 0.006 4.971 640 HB VAL 33 HB VAL 33 8.682 -0.981 2.838 641 1HG1 VAL 33 HG21 VAL 33 7.172 1.538 2.591 642 2HG1 VAL 33 HG22 VAL 33 6.209 0.058 2.602 643 3HG1 VAL 33 HG23 VAL 33 7.482 0.272 1.402 644 1HG2 VAL 33 HG11 VAL 33 10.149 0.672 3.224 645 2HG2 VAL 33 HG12 VAL 33 9.458 0.706 4.846 646 3HG2 VAL 33 HG13 VAL 33 8.881 1.832 3.617 647 H GLY 34 HN GLY 34 8.176 -3.173 4.565 648 1HA GLY 34 HA1 GLY 34 6.119 -4.237 2.914 649 2HA GLY 34 HA2 GLY 34 7.292 -5.163 3.833 650 H GLN 35 HN GLN 35 6.653 -4.308 6.433 651 HA GLN 35 HA GLN 35 4.514 -6.033 7.023 652 1HB GLN 35 HB1 GLN 35 4.730 -5.314 9.311 653 2HB GLN 35 HB2 GLN 35 6.335 -5.462 8.615 654 1HG GLN 35 HG2 GLN 35 6.415 -3.037 8.303 655 2HG GLN 35 HG1 GLN 35 4.815 -2.899 9.027 656 1HE2 GLN 35 HE22 GLN 35 6.382 -5.368 10.558 657 2HE2 GLN 35 HE21 GLN 35 7.022 -4.500 11.907 658 H ARG 36 HN ARG 36 4.673 -2.497 6.814 659 HA ARG 36 HA ARG 36 1.954 -2.103 7.577 660 1HB ARG 36 HB2 ARG 36 3.864 -0.273 6.116 661 2HB ARG 36 HB1 ARG 36 2.298 0.209 6.751 662 1HG ARG 36 HG2 ARG 36 3.075 -0.401 9.016 663 2HG ARG 36 HG1 ARG 36 4.665 -0.755 8.340 664 1HD ARG 36 HD1 ARG 36 4.848 1.556 7.569 665 2HD ARG 36 HD2 ARG 36 3.259 1.909 8.246 666 HE ARG 36 HE ARG 36 5.708 1.884 9.645 667 1HH1 ARG 36 HH11 ARG 36 2.362 0.967 10.003 668 2HH1 ARG 36 HH12 ARG 36 2.378 1.104 11.730 669 1HH2 ARG 36 HH21 ARG 36 5.735 2.060 11.915 670 2HH2 ARG 36 HH22 ARG 36 4.295 1.724 12.815 671 H LEU 37 HN LEU 37 3.658 -2.153 4.469 672 HA LEU 37 HA LEU 37 1.505 -1.571 2.791 673 1HB LEU 37 HB1 LEU 37 4.124 -2.095 2.402 674 2HB LEU 37 HB2 LEU 37 3.446 -3.623 1.886 675 HG LEU 37 HG LEU 37 2.912 -0.900 0.704 676 1HD1 LEU 37 HD21 LEU 37 5.003 -1.841 0.003 677 2HD1 LEU 37 HD22 LEU 37 3.849 -1.986 -1.323 678 3HD1 LEU 37 HD23 LEU 37 4.242 -3.396 -0.338 679 1HD2 LEU 37 HD11 LEU 37 1.237 -1.737 -0.630 680 2HD2 LEU 37 HD12 LEU 37 0.922 -2.586 0.883 681 3HD2 LEU 37 HD13 LEU 37 1.765 -3.408 -0.430 682 H GLU 38 HN GLU 38 2.661 -4.614 4.129 683 HA GLU 38 HA GLU 38 0.791 -6.290 2.822 684 1HB GLU 38 HB2 GLU 38 3.040 -6.755 4.233 685 2HB GLU 38 HB1 GLU 38 1.847 -7.092 5.479 686 1HG GLU 38 HG2 GLU 38 0.747 -8.622 3.777 687 2HG GLU 38 HG1 GLU 38 2.224 -8.458 2.841 688 H SER 39 HN SER 39 0.878 -4.692 5.969 689 HA SER 39 HA SER 39 -1.444 -5.780 7.076 690 1HB SER 39 HB1 SER 39 0.148 -4.440 8.384 691 2HB SER 39 HB2 SER 39 -0.290 -3.004 7.463 692 HG SER 39 HG SER 39 -2.277 -3.004 8.393 693 H LEU 40 HN LEU 40 -0.943 -3.140 4.825 694 HA LEU 40 HA LEU 40 -3.440 -1.933 4.837 695 1HB LEU 40 HB1 LEU 40 -1.665 -2.453 2.448 696 2HB LEU 40 HB2 LEU 40 -2.961 -1.276 2.518 697 HG LEU 40 HG LEU 40 -0.481 -1.181 4.233 698 1HD1 LEU 40 HD21 LEU 40 -0.685 -0.666 1.515 699 2HD1 LEU 40 HD22 LEU 40 0.596 -0.127 2.602 700 3HD1 LEU 40 HD23 LEU 40 -0.784 0.921 2.277 701 1HD2 LEU 40 HD11 LEU 40 -2.353 1.086 3.708 702 2HD2 LEU 40 HD12 LEU 40 -1.219 0.855 5.038 703 3HD2 LEU 40 HD13 LEU 40 -2.708 -0.089 4.974 704 H LEU 41 HN LEU 41 -2.295 -4.661 2.878 705 HA LEU 41 HA LEU 41 -4.837 -5.113 1.669 706 1HB LEU 41 HB1 LEU 41 -2.209 -6.524 1.663 707 2HB LEU 41 HB2 LEU 41 -3.628 -7.346 1.046 708 HG LEU 41 HG LEU 41 -2.761 -4.641 0.056 709 1HD1 LEU 41 HD21 LEU 41 -1.665 -5.666 -1.778 710 2HD1 LEU 41 HD22 LEU 41 -2.177 -7.276 -1.267 711 3HD1 LEU 41 HD23 LEU 41 -0.999 -6.379 -0.307 712 1HD2 LEU 41 HD11 LEU 41 -4.568 -4.715 -1.222 713 2HD2 LEU 41 HD12 LEU 41 -5.100 -6.102 -0.272 714 3HD2 LEU 41 HD13 LEU 41 -4.197 -6.352 -1.767 715 H ARG 42 HN ARG 42 -3.029 -6.801 4.245 716 HA ARG 42 HA ARG 42 -4.766 -8.911 4.642 717 1HB ARG 42 HB1 ARG 42 -3.126 -7.360 6.643 718 2HB ARG 42 HB2 ARG 42 -4.016 -8.814 7.064 719 1HG ARG 42 HG1 ARG 42 -1.835 -8.627 4.994 720 2HG ARG 42 HG2 ARG 42 -1.669 -9.297 6.618 721 1HD ARG 42 HD1 ARG 42 -3.296 -11.027 6.094 722 2HD ARG 42 HD2 ARG 42 -3.536 -10.338 4.489 723 HE ARG 42 HE ARG 42 -1.516 -12.146 5.241 724 1HH1 ARG 42 HH11 ARG 42 -1.988 -9.269 3.329 725 2HH1 ARG 42 HH12 ARG 42 -0.696 -9.633 2.234 726 1HH2 ARG 42 HH21 ARG 42 0.179 -12.633 3.800 727 2HH2 ARG 42 HH22 ARG 42 0.534 -11.544 2.501 728 H ARG 43 HN ARG 43 -5.067 -5.568 5.586 729 HA ARG 43 HA ARG 43 -7.528 -6.053 7.062 730 1HB ARG 43 HB2 ARG 43 -6.143 -3.448 6.387 731 2HB ARG 43 HB1 ARG 43 -7.498 -3.638 7.490 732 1HG ARG 43 HG2 ARG 43 -4.739 -4.787 7.858 733 2HG ARG 43 HG1 ARG 43 -5.410 -3.392 8.701 734 1HD ARG 43 HD1 ARG 43 -7.143 -4.826 9.678 735 2HD ARG 43 HD2 ARG 43 -6.451 -6.217 8.850 736 HE ARG 43 HE ARG 43 -4.454 -4.997 10.395 737 1HH1 ARG 43 HH11 ARG 43 -7.395 -6.825 10.781 738 2HH1 ARG 43 HH12 ARG 43 -6.921 -7.509 12.300 739 1HH2 ARG 43 HH21 ARG 43 -3.823 -5.892 12.395 740 2HH2 ARG 43 HH22 ARG 43 -4.892 -6.979 13.218 741 H TRP 44 HN TRP 44 -6.402 -4.673 4.043 742 HA TRP 44 HA TRP 44 -8.777 -3.521 3.102 743 1HB TRP 44 HB2 TRP 44 -6.609 -3.077 2.095 744 2HB TRP 44 HB1 TRP 44 -6.469 -4.755 1.590 745 HD1 TRP 44 HD1 TRP 44 -6.606 -4.704 -0.957 746 HE1 TRP 44 HE1 TRP 44 -8.209 -3.695 -2.690 747 HE3 TRP 44 HE3 TRP 44 -9.606 -1.984 2.179 748 HZ2 TRP 44 HZ2 TRP 44 -10.415 -1.971 -2.730 749 HZ3 TRP 44 HZ3 TRP 44 -11.436 -0.673 1.176 750 HH2 TRP 44 HH2 TRP 44 -11.834 -0.673 -1.213 751 H ASN 45 HN ASN 45 -7.339 -6.628 2.121 752 HA ASN 45 HA ASN 45 -9.549 -7.576 0.697 753 1HB ASN 45 HB2 ASN 45 -7.341 -9.132 2.058 754 2HB ASN 45 HB1 ASN 45 -8.450 -9.789 0.862 755 1HD2 ASN 45 HD22 ASN 45 -5.444 -8.605 1.279 756 2HD2 ASN 45 HD21 ASN 45 -5.112 -8.057 -0.323 757 H SER 46 HN SER 46 -8.597 -8.075 4.079 758 HA SER 46 HA SER 46 -10.460 -9.997 4.797 759 1HB SER 46 HB2 SER 46 -8.662 -9.268 6.298 760 2HB SER 46 HB1 SER 46 -9.438 -7.695 6.480 761 HG SER 46 HG SER 46 -10.004 -10.076 7.698 762 H ARG 47 HN ARG 47 -10.804 -6.463 4.824 763 HA ARG 47 HA ARG 47 -13.427 -6.382 5.812 764 1HB ARG 47 HB2 ARG 47 -11.859 -4.464 4.096 765 2HB ARG 47 HB1 ARG 47 -13.491 -4.114 4.646 766 1HG ARG 47 HG2 ARG 47 -12.784 -4.234 6.951 767 2HG ARG 47 HG1 ARG 47 -11.158 -4.711 6.455 768 1HD ARG 47 HD1 ARG 47 -10.774 -2.585 5.431 769 2HD ARG 47 HD2 ARG 47 -12.456 -2.113 5.660 770 HE ARG 47 HE ARG 47 -11.822 -1.327 7.691 771 1HH1 ARG 47 HH11 ARG 47 -9.746 -4.019 6.909 772 2HH1 ARG 47 HH12 ARG 47 -8.844 -3.912 8.383 773 1HH2 ARG 47 HH21 ARG 47 -10.636 -1.183 9.628 774 2HH2 ARG 47 HH22 ARG 47 -9.348 -2.302 9.926 775 H ARG 48 HN ARG 48 -12.161 -6.766 2.551 776 HA ARG 48 HA ARG 48 -14.508 -6.393 1.092 777 1HB ARG 48 HB1 ARG 48 -12.232 -8.307 0.541 778 2HB ARG 48 HB2 ARG 48 -13.457 -7.837 -0.625 779 1HG ARG 48 HG2 ARG 48 -12.692 -5.526 -0.512 780 2HG ARG 48 HG1 ARG 48 -11.472 -5.986 0.678 781 1HD ARG 48 HD1 ARG 48 -10.517 -5.808 -1.569 782 2HD ARG 48 HD2 ARG 48 -10.413 -7.453 -0.944 783 HE ARG 48 HE ARG 48 -12.768 -7.209 -2.443 784 1HH1 ARG 48 HH11 ARG 48 -9.312 -7.232 -2.892 785 2HH1 ARG 48 HH12 ARG 48 -9.397 -7.866 -4.502 786 1HH2 ARG 48 HH21 ARG 48 -12.888 -8.044 -4.561 787 2HH2 ARG 48 HH22 ARG 48 -11.429 -8.327 -5.451 788 H ALA 49 HN ALA 49 -13.179 -9.342 2.547 789 HA ALA 49 HA ALA 49 -15.238 -11.080 1.721 790 1HB ALA 49 HB1 ALA 49 -13.052 -11.176 3.722 791 2HB ALA 49 HB2 ALA 49 -13.438 -12.288 2.408 792 3HB ALA 49 HB3 ALA 49 -14.372 -12.331 3.904 793 H ASP 50 HN ASP 50 -14.811 -9.086 4.599 794 HA ASP 50 HA ASP 50 -17.184 -10.058 5.890 795 1HB ASP 50 HB2 ASP 50 -15.467 -7.638 6.482 796 2HB ASP 50 HB1 ASP 50 -16.750 -8.250 7.523 797 H ALA 51 HN ALA 51 -17.901 -9.296 3.357 798 HA ALA 51 HA ALA 51 -20.030 -7.501 3.855 799 1HB ALA 51 HB1 ALA 51 -18.810 -5.604 3.630 800 2HB ALA 51 HB2 ALA 51 -19.083 -5.917 1.916 801 3HB ALA 51 HB3 ALA 51 -17.560 -6.390 2.667 802 HA PRO 52 HA PRO 52 -21.484 -9.988 0.474 803 1HB PRO 52 HB1 PRO 52 -23.743 -8.552 -0.093 804 2HB PRO 52 HB2 PRO 52 -23.616 -9.691 1.249 805 1HG PRO 52 HG2 PRO 52 -23.358 -6.710 1.260 806 2HG PRO 52 HG1 PRO 52 -24.197 -7.763 2.411 807 1HD PRO 52 HD2 PRO 52 -21.767 -6.732 2.938 808 2HD PRO 52 HD1 PRO 52 -22.239 -8.350 3.495 809 H SER 53 HN SER 53 -21.667 -6.449 0.084 810 HA SER 53 HA SER 53 -21.705 -6.437 -2.724 811 1HB SER 53 HB2 SER 53 -22.340 -4.477 -1.400 812 2HB SER 53 HB1 SER 53 -20.683 -4.317 -0.818 813 HG SER 53 HG SER 53 -21.684 -3.915 -3.428 814 H THR 54 HN THR 54 -20.151 -6.520 -4.246 815 HA THR 54 HA THR 54 -17.381 -6.056 -3.683 816 HB THR 54 HB THR 54 -18.232 -8.894 -4.306 817 HG1 THR 54 HG1 THR 54 -18.428 -8.533 -2.115 818 1HG2 THR 54 HG21 THR 54 -15.519 -7.591 -4.137 819 2HG2 THR 54 HG22 THR 54 -16.219 -8.468 -5.498 820 3HG2 THR 54 HG23 THR 54 -15.757 -9.336 -4.033 821 H SER 55 HN SER 55 -19.637 -7.684 -5.902 822 HA SER 55 HA SER 55 -18.924 -5.971 -8.074 823 1HB SER 55 HB2 SER 55 -18.069 -8.871 -8.248 824 2HB SER 55 HB1 SER 55 -18.013 -7.705 -9.568 825 HG SER 55 HG SER 55 -16.201 -8.152 -7.668 826 H ALA 56 HN ALA 56 -20.585 -5.840 -9.461 827 HA ALA 56 HA ALA 56 -22.585 -6.221 -10.470 828 1HB ALA 56 HB1 ALA 56 -21.557 -8.207 -11.368 829 2HB ALA 56 HB2 ALA 56 -23.228 -8.563 -10.930 830 3HB ALA 56 HB3 ALA 56 -21.910 -9.101 -9.889 831 H ILE 57 HN ILE 57 -24.681 -6.078 -9.871 832 HA ILE 57 HA ILE 57 -25.363 -6.042 -7.151 833 HB ILE 57 HB ILE 57 -27.199 -6.190 -9.547 834 1HG1 ILE 57 HG12 ILE 57 -26.163 -3.827 -7.961 835 2HG1 ILE 57 HG11 ILE 57 -25.688 -4.257 -9.600 836 1HG2 ILE 57 HG21 ILE 57 -27.915 -5.091 -6.850 837 2HG2 ILE 57 HG22 ILE 57 -28.136 -6.797 -7.239 838 3HG2 ILE 57 HG23 ILE 57 -28.980 -5.563 -8.174 839 1HD1 ILE 57 HD11 ILE 57 -27.267 -2.420 -9.600 840 2HD1 ILE 57 HD12 ILE 57 -28.438 -3.409 -8.728 841 3HD1 ILE 57 HD13 ILE 57 -27.964 -3.845 -10.371 842 H SER 58 HN SER 58 -26.029 -8.441 -9.680 843 HA SER 58 HA SER 58 -25.979 -10.621 -7.893 844 1HB SER 58 HB1 SER 58 -28.134 -9.735 -7.134 845 2HB SER 58 HB2 SER 58 -28.741 -9.758 -8.788 846 HG SER 58 HG SER 58 -27.769 -12.095 -7.540 847 H GLU 59 HN GLU 59 -27.447 -9.434 -10.901 848 HA GLU 59 HA GLU 59 -27.486 -11.901 -12.249 849 1HB GLU 59 HB1 GLU 59 -27.286 -9.108 -13.389 850 2HB GLU 59 HB2 GLU 59 -27.703 -10.548 -14.303 851 1HG GLU 59 HG2 GLU 59 -29.706 -10.837 -12.935 852 2HG GLU 59 HG1 GLU 59 -29.287 -9.388 -12.022 853 H ASP 60 HN ASP 60 -26.001 -12.997 -13.405 854 HA ASP 60 HA ASP 60 -23.263 -12.542 -12.991 855 1HB ASP 60 HB2 ASP 60 -24.224 -14.758 -13.507 856 2HB ASP 60 HB1 ASP 60 -24.581 -14.214 -15.142
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