NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
628346 | 5or5 | 34172 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -14.624 -23.990 -7.859 2 H2 MET 1 2H MET 1 -16.120 -24.659 -7.758 3 H3 MET 1 3H MET 1 -15.074 -24.769 -6.483 4 HA MET 1 HA MET 1 -16.268 -22.306 -7.530 5 HB2 MET 1 2HB MET 1 -17.571 -22.187 -5.513 6 HB3 MET 1 1HB MET 1 -17.890 -23.730 -6.311 7 HG2 MET 1 2HG MET 1 -15.976 -23.325 -3.969 8 HG3 MET 1 1HG MET 1 -17.642 -23.869 -3.825 9 HE1 MET 1 1HE MET 1 -18.083 -25.938 -6.148 10 HE2 MET 1 2HE MET 1 -17.637 -27.437 -5.307 11 HE3 MET 1 3HE MET 1 -18.552 -26.178 -4.447 12 H SER 2 H SER 2 -16.010 -20.472 -5.980 13 HA SER 2 HA SER 2 -14.650 -18.938 -5.050 14 HB2 SER 2 2HB SER 2 -13.462 -21.305 -3.572 15 HB3 SER 2 1HB SER 2 -13.332 -19.594 -3.111 16 HG SER 2 HG SER 2 -15.045 -20.682 -2.031 17 H GLU 3 H GLU 3 -12.296 -18.250 -4.596 18 HA GLU 3 HA GLU 3 -10.823 -18.777 -7.070 19 HB2 GLU 3 2HB GLU 3 -11.264 -16.489 -6.198 20 HB3 GLU 3 1HB GLU 3 -10.240 -16.849 -4.791 21 HG2 GLU 3 2HG GLU 3 -8.291 -17.132 -6.233 22 HG3 GLU 3 1HG GLU 3 -9.299 -16.987 -7.683 23 H GLN 4 H GLN 4 -10.902 -20.077 -3.956 24 HA GLN 4 HA GLN 4 -9.621 -21.453 -2.736 25 HB2 GLN 4 2HB GLN 4 -8.007 -21.835 -5.265 26 HB3 GLN 4 1HB GLN 4 -8.026 -22.898 -3.847 27 HG2 GLN 4 2HG GLN 4 -10.445 -23.322 -4.173 28 HG3 GLN 4 1HG GLN 4 -10.429 -22.305 -5.619 29 HE21 GLN 4 1HE2 GLN 4 -10.160 -25.703 -6.947 30 HE22 GLN 4 2HE2 GLN 4 -11.356 -24.649 -6.216 31 H LEU 5 H LEU 5 -8.119 -18.709 -4.161 32 HA LEU 5 HA LEU 5 -5.859 -18.847 -2.205 33 HB2 LEU 5 2HB LEU 5 -6.143 -17.606 -4.964 34 HB3 LEU 5 1HB LEU 5 -4.887 -17.108 -3.833 35 HG LEU 5 HG LEU 5 -4.038 -18.661 -5.485 36 HD11 LEU 5 1HD1 LEU 5 -2.949 -20.269 -3.978 37 HD12 LEU 5 2HD1 LEU 5 -3.000 -18.637 -3.271 38 HD13 LEU 5 3HD1 LEU 5 -4.131 -19.902 -2.710 39 HD21 LEU 5 1HD2 LEU 5 -5.803 -20.828 -4.299 40 HD22 LEU 5 2HD2 LEU 5 -6.099 -20.020 -5.865 41 HD23 LEU 5 3HD2 LEU 5 -4.628 -20.983 -5.618 42 H THR 6 H THR 6 -5.481 -17.058 -0.945 43 HA THR 6 HA THR 6 -7.577 -14.936 -0.960 44 HB THR 6 HB THR 6 -7.884 -16.490 0.917 45 HG1 THR 6 1HG THR 6 -8.338 -14.379 1.362 46 HG21 THR 6 1HG2 THR 6 -5.604 -17.353 1.156 47 HG22 THR 6 2HG2 THR 6 -5.019 -15.740 1.632 48 HG23 THR 6 3HG2 THR 6 -6.143 -16.638 2.684 49 H ASP 7 H ASP 7 -6.697 -12.951 0.388 50 HA ASP 7 HA ASP 7 -4.393 -12.014 -1.067 51 HB2 ASP 7 2HB ASP 7 -5.870 -10.918 1.355 52 HB3 ASP 7 1HB ASP 7 -4.623 -10.033 0.465 53 H GLN 8 H GLN 8 -4.782 -13.726 1.965 54 HA GLN 8 HA GLN 8 -2.381 -12.837 3.235 55 HB2 GLN 8 2HB GLN 8 -4.367 -14.122 4.215 56 HB3 GLN 8 1HB GLN 8 -3.642 -15.585 3.510 57 HG2 GLN 8 2HG GLN 8 -1.547 -15.151 4.760 58 HG3 GLN 8 1HG GLN 8 -2.290 -13.708 5.488 59 HE21 GLN 8 1HE2 GLN 8 -2.688 -16.243 8.081 60 HE22 GLN 8 2HE2 GLN 8 -1.443 -15.235 7.374 61 H VAL 9 H VAL 9 -3.079 -15.542 0.961 62 HA VAL 9 HA VAL 9 -0.355 -16.561 1.143 63 HB VAL 9 HB VAL 9 -2.155 -18.122 0.827 64 HG11 VAL 9 1HG1 VAL 9 -2.842 -16.525 -1.657 65 HG12 VAL 9 2HG1 VAL 9 -3.583 -18.078 -1.182 66 HG13 VAL 9 3HG1 VAL 9 -3.787 -16.644 -0.152 67 HG21 VAL 9 1HG2 VAL 9 -0.024 -18.627 -0.359 68 HG22 VAL 9 2HG2 VAL 9 -1.448 -19.322 -1.162 69 HG23 VAL 9 3HG2 VAL 9 -0.680 -17.874 -1.833 70 H LEU 10 H LEU 10 -2.099 -14.209 -0.816 71 HA LEU 10 HA LEU 10 -0.249 -14.131 -3.011 72 HB2 LEU 10 2HB LEU 10 -2.142 -12.099 -1.761 73 HB3 LEU 10 1HB LEU 10 -1.174 -11.747 -3.205 74 HG LEU 10 HG LEU 10 -3.201 -14.022 -3.002 75 HD11 LEU 10 1HD1 LEU 10 -4.266 -11.764 -3.061 76 HD12 LEU 10 2HD1 LEU 10 -3.250 -11.365 -4.479 77 HD13 LEU 10 3HD1 LEU 10 -4.491 -12.643 -4.590 78 HD21 LEU 10 1HD2 LEU 10 -1.568 -12.828 -5.259 79 HD22 LEU 10 2HD2 LEU 10 -1.392 -14.490 -4.600 80 HD23 LEU 10 3HD2 LEU 10 -2.871 -14.040 -5.471 81 H VAL 11 H VAL 11 -0.282 -12.732 0.249 82 HA VAL 11 HA VAL 11 1.891 -10.879 -0.287 83 HB VAL 11 HB VAL 11 0.464 -11.842 2.213 84 HG11 VAL 11 1HG1 VAL 11 1.634 -9.909 3.327 85 HG12 VAL 11 2HG1 VAL 11 2.731 -11.236 2.884 86 HG13 VAL 11 3HG1 VAL 11 2.665 -9.772 1.881 87 HG21 VAL 11 1HG2 VAL 11 -0.779 -10.389 0.599 88 HG22 VAL 11 2HG2 VAL 11 -0.504 -9.605 2.172 89 HG23 VAL 11 3HG2 VAL 11 0.495 -9.164 0.763 90 H GLU 12 H GLU 12 1.610 -14.190 1.092 91 HA GLU 12 HA GLU 12 4.304 -14.190 2.101 92 HB2 GLU 12 2HB GLU 12 2.489 -16.502 1.311 93 HB3 GLU 12 1HB GLU 12 4.021 -16.635 2.204 94 HG2 GLU 12 2HG GLU 12 3.040 -15.020 3.913 95 HG3 GLU 12 1HG GLU 12 1.495 -15.191 3.082 96 H ARG 13 H ARG 13 2.848 -14.928 -1.061 97 HA ARG 13 HA ARG 13 5.119 -16.249 -2.209 98 HB2 ARG 13 2HB ARG 13 2.758 -14.689 -3.325 99 HB3 ARG 13 1HB ARG 13 3.968 -15.449 -4.378 100 HG2 ARG 13 2HG ARG 13 3.463 -17.642 -3.536 101 HG3 ARG 13 1HG ARG 13 2.414 -16.989 -2.258 102 HD2 ARG 13 2HD ARG 13 0.829 -16.148 -3.912 103 HD3 ARG 13 1HD ARG 13 1.909 -16.630 -5.236 104 HE ARG 13 HE ARG 13 1.281 -18.878 -3.556 105 HH11 ARG 13 1HH1 ARG 13 -0.095 -16.818 -6.078 106 HH12 ARG 13 2HH1 ARG 13 -1.140 -18.075 -6.697 107 HH21 ARG 13 1HH2 ARG 13 -0.091 -20.496 -4.382 108 HH22 ARG 13 2HH2 ARG 13 -1.144 -20.147 -5.733 109 H VAL 14 H VAL 14 4.167 -12.757 -2.146 110 HA VAL 14 HA VAL 14 6.454 -12.080 -3.773 111 HB VAL 14 HB VAL 14 4.696 -10.654 -4.029 112 HG11 VAL 14 1HG1 VAL 14 4.515 -10.148 -1.045 113 HG12 VAL 14 2HG1 VAL 14 3.498 -9.453 -2.348 114 HG13 VAL 14 3HG1 VAL 14 3.423 -11.187 -2.003 115 HG21 VAL 14 1HG2 VAL 14 6.834 -9.416 -3.831 116 HG22 VAL 14 2HG2 VAL 14 5.446 -8.434 -3.315 117 HG23 VAL 14 3HG2 VAL 14 6.508 -9.159 -2.095 118 H GLN 15 H GLN 15 6.092 -12.654 -0.313 119 HA GLN 15 HA GLN 15 8.608 -11.381 0.348 120 HB2 GLN 15 2HB GLN 15 7.013 -13.586 1.713 121 HB3 GLN 15 1HB GLN 15 8.510 -12.889 2.356 122 HG2 GLN 15 2HG GLN 15 7.461 -10.626 2.285 123 HG3 GLN 15 1HG GLN 15 5.938 -11.364 1.783 124 HE21 GLN 15 1HE2 GLN 15 5.806 -10.857 5.476 125 HE22 GLN 15 2HE2 GLN 15 5.851 -9.879 4.029 126 H LYS 16 H LYS 16 7.684 -14.547 -1.043 127 HA LYS 16 HA LYS 16 10.347 -15.679 -0.737 128 HB2 LYS 16 2HB LYS 16 7.941 -16.482 -2.427 129 HB3 LYS 16 1HB LYS 16 9.387 -17.463 -2.170 130 HG2 LYS 16 2HG LYS 16 7.348 -16.621 -0.081 131 HG3 LYS 16 1HG LYS 16 7.620 -18.254 -0.710 132 HD2 LYS 16 2HD LYS 16 9.888 -18.245 0.296 133 HD3 LYS 16 1HD LYS 16 9.595 -16.595 0.915 134 HE2 LYS 16 2HE LYS 16 7.692 -17.374 2.226 135 HE3 LYS 16 1HE LYS 16 7.880 -19.011 1.580 136 HZ1 LYS 16 1HZ LYS 16 9.863 -17.592 3.236 137 HZ2 LYS 16 2HZ LYS 16 8.869 -18.798 3.749 138 HZ3 LYS 16 3HZ LYS 16 10.032 -19.114 2.637 139 H GLY 17 H GLY 17 8.942 -13.387 -2.870 140 HA2 GLY 17 2HA GLY 17 10.527 -12.177 -4.256 141 HA3 GLY 17 3HA GLY 17 11.283 -13.719 -4.697 142 H ASP 18 H ASP 18 7.960 -14.283 -4.614 143 HA ASP 18 HA ASP 18 7.777 -14.167 -7.536 144 HB2 ASP 18 2HB ASP 18 6.121 -15.272 -5.258 145 HB3 ASP 18 1HB ASP 18 5.400 -15.052 -6.845 146 H GLN 19 H GLN 19 7.913 -11.911 -7.884 147 HA GLN 19 HA GLN 19 6.132 -10.028 -6.676 148 HB2 GLN 19 2HB GLN 19 8.348 -9.581 -7.760 149 HB3 GLN 19 1HB GLN 19 7.604 -9.884 -9.341 150 HG2 GLN 19 2HG GLN 19 6.027 -8.019 -8.974 151 HG3 GLN 19 1HG GLN 19 6.690 -7.763 -7.350 152 HE21 GLN 19 1HE2 GLN 19 8.344 -5.176 -9.319 153 HE22 GLN 19 2HE2 GLN 19 6.803 -5.522 -8.564 154 H LYS 20 H LYS 20 5.655 -12.481 -9.029 155 HA LYS 20 HA LYS 20 3.610 -11.261 -10.604 156 HB2 LYS 20 2HB LYS 20 3.096 -13.562 -11.292 157 HB3 LYS 20 1HB LYS 20 4.828 -13.231 -11.297 158 HG2 LYS 20 2HG LYS 20 4.859 -15.285 -10.306 159 HG3 LYS 20 1HG LYS 20 4.729 -14.288 -8.852 160 HD2 LYS 20 2HD LYS 20 2.217 -14.628 -8.934 161 HD3 LYS 20 1HD LYS 20 2.463 -15.698 -10.321 162 HE2 LYS 20 2HE LYS 20 3.568 -16.089 -7.506 163 HE3 LYS 20 1HE LYS 20 2.229 -16.978 -8.237 164 HZ1 LYS 20 1HZ LYS 20 3.802 -17.785 -9.906 165 HZ2 LYS 20 2HZ LYS 20 5.043 -17.050 -9.104 166 HZ3 LYS 20 3HZ LYS 20 4.206 -18.249 -8.381 167 H ALA 21 H ALA 21 3.595 -12.726 -7.368 168 HA ALA 21 HA ALA 21 0.679 -12.822 -7.273 169 HB1 ALA 21 1HB ALA 21 1.020 -13.331 -4.902 170 HB2 ALA 21 2HB ALA 21 2.064 -14.350 -5.921 171 HB3 ALA 21 3HB ALA 21 2.754 -12.953 -5.051 172 H PHE 22 H PHE 22 3.280 -10.569 -6.227 173 HA PHE 22 HA PHE 22 1.577 -8.713 -4.915 174 HB2 PHE 22 2HB PHE 22 4.003 -8.750 -4.724 175 HB3 PHE 22 1HB PHE 22 4.182 -8.265 -6.407 176 HD1 PHE 22 1HD PHE 22 2.506 -7.167 -3.223 177 HD2 PHE 22 2HD PHE 22 4.421 -5.961 -6.889 178 HE1 PHE 22 1HE PHE 22 2.388 -4.797 -2.512 179 HE2 PHE 22 2HE PHE 22 4.290 -3.593 -6.165 180 HZ PHE 22 HZ PHE 22 3.271 -3.015 -3.976 181 H ASN 23 H ASN 23 2.401 -9.207 -8.378 182 HA ASN 23 HA ASN 23 1.338 -6.735 -9.330 183 HB2 ASN 23 2HB ASN 23 2.783 -8.302 -10.635 184 HB3 ASN 23 1HB ASN 23 1.448 -9.460 -10.702 185 HD21 ASN 23 1HD2 ASN 23 -0.274 -7.839 -13.317 186 HD22 ASN 23 2HD2 ASN 23 -0.253 -9.146 -12.149 187 H LEU 24 H LEU 24 -0.143 -9.932 -8.711 188 HA LEU 24 HA LEU 24 -2.728 -9.105 -9.754 189 HB2 LEU 24 2HB LEU 24 -1.889 -11.494 -8.056 190 HB3 LEU 24 1HB LEU 24 -3.431 -11.334 -8.918 191 HG LEU 24 HG LEU 24 -0.695 -11.299 -10.278 192 HD11 LEU 24 1HD1 LEU 24 -2.709 -13.556 -9.969 193 HD12 LEU 24 2HD1 LEU 24 -1.221 -13.608 -10.950 194 HD13 LEU 24 3HD1 LEU 24 -1.116 -13.447 -9.184 195 HD21 LEU 24 1HD2 LEU 24 -2.421 -10.164 -11.578 196 HD22 LEU 24 2HD2 LEU 24 -1.995 -11.714 -12.321 197 HD23 LEU 24 3HD2 LEU 24 -3.510 -11.565 -11.391 198 H LEU 25 H LEU 25 -1.026 -8.913 -6.725 199 HA LEU 25 HA LEU 25 -3.408 -8.578 -5.077 200 HB2 LEU 25 2HB LEU 25 -1.236 -9.632 -4.352 201 HB3 LEU 25 1HB LEU 25 -0.471 -8.037 -4.485 202 HG LEU 25 HG LEU 25 -2.067 -7.173 -2.755 203 HD11 LEU 25 1HD1 LEU 25 -3.329 -8.886 -1.429 204 HD12 LEU 25 2HD1 LEU 25 -3.933 -8.760 -3.091 205 HD13 LEU 25 3HD1 LEU 25 -2.867 -10.112 -2.637 206 HD21 LEU 25 1HD2 LEU 25 0.164 -8.032 -2.145 207 HD22 LEU 25 2HD2 LEU 25 -1.027 -8.379 -0.874 208 HD23 LEU 25 3HD2 LEU 25 -0.514 -9.673 -1.987 209 H VAL 26 H VAL 26 -1.108 -6.533 -6.844 210 HA VAL 26 HA VAL 26 -1.807 -4.065 -5.498 211 HB VAL 26 HB VAL 26 -0.307 -4.787 -8.030 212 HG11 VAL 26 1HG1 VAL 26 -0.975 -1.991 -7.014 213 HG12 VAL 26 2HG1 VAL 26 0.242 -2.357 -8.255 214 HG13 VAL 26 3HG1 VAL 26 -1.470 -2.686 -8.572 215 HG21 VAL 26 1HG2 VAL 26 0.473 -3.300 -5.486 216 HG22 VAL 26 2HG2 VAL 26 0.777 -5.019 -5.767 217 HG23 VAL 26 3HG2 VAL 26 1.566 -3.802 -6.798 218 H VAL 27 H VAL 27 -2.668 -5.452 -8.730 219 HA VAL 27 HA VAL 27 -4.320 -3.258 -9.457 220 HB VAL 27 HB VAL 27 -3.396 -4.988 -10.988 221 HG11 VAL 27 1HG1 VAL 27 -5.663 -6.723 -9.915 222 HG12 VAL 27 2HG1 VAL 27 -4.568 -7.124 -11.256 223 HG13 VAL 27 3HG1 VAL 27 -3.929 -6.983 -9.604 224 HG21 VAL 27 1HG2 VAL 27 -6.426 -4.688 -11.143 225 HG22 VAL 27 2HG2 VAL 27 -5.228 -3.493 -11.698 226 HG23 VAL 27 3HG2 VAL 27 -5.331 -5.086 -12.479 227 H ARG 28 H ARG 28 -4.924 -5.958 -7.326 228 HA ARG 28 HA ARG 28 -7.814 -5.871 -7.379 229 HB2 ARG 28 2HB ARG 28 -6.622 -7.846 -6.705 230 HB3 ARG 28 1HB ARG 28 -5.722 -6.961 -5.462 231 HG2 ARG 28 2HG ARG 28 -7.705 -6.643 -4.128 232 HG3 ARG 28 1HG ARG 28 -8.747 -7.289 -5.408 233 HD2 ARG 28 2HD ARG 28 -6.516 -8.885 -4.076 234 HD3 ARG 28 1HD ARG 28 -8.207 -8.916 -3.539 235 HE ARG 28 HE ARG 28 -8.210 -9.453 -6.302 236 HH11 ARG 28 1HH1 ARG 28 -6.969 -10.977 -3.344 237 HH12 ARG 28 2HH1 ARG 28 -7.161 -12.594 -3.980 238 HH21 ARG 28 1HH2 ARG 28 -8.422 -11.575 -7.082 239 HH22 ARG 28 2HH2 ARG 28 -7.975 -12.930 -6.072 240 H TYR 29 H TYR 29 -5.326 -4.583 -5.113 241 HA TYR 29 HA TYR 29 -7.404 -3.082 -3.688 242 HB2 TYR 29 2HB TYR 29 -4.468 -3.594 -3.227 243 HB3 TYR 29 1HB TYR 29 -5.348 -2.376 -2.322 244 HD1 TYR 29 1HD TYR 29 -5.455 -6.027 -3.212 245 HD2 TYR 29 2HD TYR 29 -6.684 -2.938 -0.485 246 HE1 TYR 29 1HE TYR 29 -6.429 -7.745 -1.712 247 HE2 TYR 29 2HE TYR 29 -7.677 -4.647 1.017 248 HH TYR 29 HH TYR 29 -7.581 -8.140 0.233 249 H GLN 30 H GLN 30 -5.435 -2.522 -6.416 250 HA GLN 30 HA GLN 30 -4.748 0.196 -6.127 251 HB2 GLN 30 2HB GLN 30 -3.901 -1.223 -7.890 252 HB3 GLN 30 1HB GLN 30 -5.532 -1.505 -8.524 253 HG2 GLN 30 2HG GLN 30 -5.702 0.803 -9.238 254 HG3 GLN 30 1HG GLN 30 -4.148 1.203 -8.455 255 HE21 GLN 30 1HE2 GLN 30 -4.186 -1.082 -11.933 256 HE22 GLN 30 2HE2 GLN 30 -5.588 -1.052 -10.881 257 H HIS 31 H HIS 31 -7.884 -1.353 -6.658 258 HA HIS 31 HA HIS 31 -9.208 1.137 -7.440 259 HB2 HIS 31 2HB HIS 31 -10.283 -1.549 -6.533 260 HB3 HIS 31 1HB HIS 31 -11.253 -0.217 -7.186 261 HD2 HIS 31 2HD HIS 31 -9.206 -3.189 -8.258 262 HE1 HIS 31 1HE HIS 31 -9.953 -1.008 -11.836 263 HE2 HIS 31 2HE HIS 31 -9.095 -3.213 -10.875 264 H LYS 32 H LYS 32 -8.578 -0.654 -4.427 265 HA LYS 32 HA LYS 32 -10.488 1.012 -2.931 266 HB2 LYS 32 2HB LYS 32 -8.609 -1.235 -2.077 267 HB3 LYS 32 1HB LYS 32 -9.733 -0.367 -1.015 268 HG2 LYS 32 2HG LYS 32 -11.088 -2.134 -1.600 269 HG3 LYS 32 1HG LYS 32 -11.507 -0.988 -2.877 270 HD2 LYS 32 2HD LYS 32 -9.482 -2.235 -4.154 271 HD3 LYS 32 1HD LYS 32 -9.880 -3.519 -3.000 272 HE2 LYS 32 2HE LYS 32 -12.317 -3.242 -3.750 273 HE3 LYS 32 1HE LYS 32 -11.703 -2.174 -5.025 274 HZ1 LYS 32 1HZ LYS 32 -10.306 -4.039 -5.749 275 HZ2 LYS 32 2HZ LYS 32 -11.008 -5.009 -4.631 276 HZ3 LYS 32 3HZ LYS 32 -11.916 -4.384 -5.852 277 H VAL 33 H VAL 33 -6.957 0.657 -3.217 278 HA VAL 33 HA VAL 33 -6.351 2.461 -1.069 279 HB VAL 33 HB VAL 33 -4.895 0.630 -2.120 280 HG11 VAL 33 1HG1 VAL 33 -5.198 1.384 -4.490 281 HG12 VAL 33 2HG1 VAL 33 -4.269 2.855 -4.103 282 HG13 VAL 33 3HG1 VAL 33 -3.489 1.267 -3.995 283 HG21 VAL 33 1HG2 VAL 33 -4.023 2.278 -0.487 284 HG22 VAL 33 2HG2 VAL 33 -2.812 1.847 -1.716 285 HG23 VAL 33 3HG2 VAL 33 -3.670 3.394 -1.838 286 H ALA 34 H ALA 34 -7.116 2.834 -4.496 287 HA ALA 34 HA ALA 34 -6.137 5.562 -4.666 288 HB1 ALA 34 1HB ALA 34 -8.013 3.966 -6.464 289 HB2 ALA 34 2HB ALA 34 -7.242 5.515 -6.871 290 HB3 ALA 34 3HB ALA 34 -6.241 4.067 -6.624 291 H SER 35 H SER 35 -9.209 3.986 -3.796 292 HA SER 35 HA SER 35 -10.818 6.368 -4.028 293 HB2 SER 35 2HB SER 35 -11.738 4.079 -3.993 294 HB3 SER 35 1HB SER 35 -11.176 3.878 -2.316 295 HG SER 35 HG SER 35 -13.386 4.538 -2.493 296 H LEU 36 H LEU 36 -8.619 5.054 -1.588 297 HA LEU 36 HA LEU 36 -9.571 6.740 0.557 298 HB2 LEU 36 2HB LEU 36 -8.323 4.567 0.819 299 HB3 LEU 36 1HB LEU 36 -6.879 5.375 0.192 300 HG LEU 36 HG LEU 36 -7.042 7.048 2.068 301 HD11 LEU 36 1HD1 LEU 36 -9.431 6.812 2.633 302 HD12 LEU 36 2HD1 LEU 36 -9.166 5.110 3.085 303 HD13 LEU 36 3HD1 LEU 36 -8.419 6.418 4.031 304 HD21 LEU 36 1HD2 LEU 36 -5.531 5.141 2.163 305 HD22 LEU 36 2HD2 LEU 36 -6.219 5.445 3.778 306 HD23 LEU 36 3HD2 LEU 36 -6.836 4.102 2.783 307 H VAL 37 H VAL 37 -6.784 6.914 -1.735 308 HA VAL 37 HA VAL 37 -5.890 9.354 -0.429 309 HB VAL 37 HB VAL 37 -4.278 7.720 -1.078 310 HG11 VAL 37 1HG1 VAL 37 -5.371 6.764 -3.064 311 HG12 VAL 37 2HG1 VAL 37 -5.090 8.275 -3.954 312 HG13 VAL 37 3HG1 VAL 37 -3.704 7.290 -3.416 313 HG21 VAL 37 1HG2 VAL 37 -3.810 10.231 -1.166 314 HG22 VAL 37 2HG2 VAL 37 -2.685 9.174 -2.060 315 HG23 VAL 37 3HG2 VAL 37 -3.936 10.096 -2.935 316 H SER 38 H SER 38 -7.948 8.639 -3.182 317 HA SER 38 HA SER 38 -7.571 11.055 -4.644 318 HB2 SER 38 2HB SER 38 -9.804 10.631 -5.526 319 HB3 SER 38 1HB SER 38 -8.868 9.126 -5.477 320 HG SER 38 HG SER 38 -10.991 8.879 -4.635 321 H ARG 39 H ARG 39 -8.878 10.452 -1.494 322 HA ARG 39 HA ARG 39 -10.546 12.812 -1.322 323 HB2 ARG 39 2HB ARG 39 -9.399 11.020 0.845 324 HB3 ARG 39 1HB ARG 39 -10.767 12.140 0.994 325 HG2 ARG 39 2HG ARG 39 -12.042 10.803 -0.667 326 HG3 ARG 39 1HG ARG 39 -10.653 9.713 -0.856 327 HD2 ARG 39 2HD ARG 39 -10.800 9.207 1.605 328 HD3 ARG 39 1HD ARG 39 -12.335 10.104 1.632 329 HE ARG 39 HE ARG 39 -12.078 7.975 -0.390 330 HH11 ARG 39 1HH1 ARG 39 -13.260 8.848 2.826 331 HH12 ARG 39 2HH1 ARG 39 -14.391 7.516 2.901 332 HH21 ARG 39 1HH2 ARG 39 -13.563 6.260 -0.275 333 HH22 ARG 39 2HH2 ARG 39 -14.563 6.057 1.144 334 H TYR 40 H TYR 40 -7.161 12.338 -1.283 335 HA TYR 40 HA TYR 40 -6.769 14.804 0.362 336 HB2 TYR 40 2HB TYR 40 -4.974 12.384 0.018 337 HB3 TYR 40 1HB TYR 40 -4.507 13.869 0.850 338 HD1 TYR 40 1HD TYR 40 -6.488 10.791 1.048 339 HD2 TYR 40 2HD TYR 40 -5.514 14.486 3.008 340 HE1 TYR 40 1HE TYR 40 -7.469 9.923 3.159 341 HE2 TYR 40 2HE TYR 40 -6.495 13.631 5.123 342 HH TYR 40 HH TYR 40 -7.944 10.363 5.364 343 H VAL 41 H VAL 41 -6.192 13.245 -2.739 344 HA VAL 41 HA VAL 41 -4.789 15.722 -3.607 345 HB VAL 41 HB VAL 41 -3.213 14.534 -4.912 346 HG11 VAL 41 1HG1 VAL 41 -2.661 14.837 -2.508 347 HG12 VAL 41 2HG1 VAL 41 -3.317 13.218 -2.165 348 HG13 VAL 41 3HG1 VAL 41 -1.885 13.401 -3.202 349 HG21 VAL 41 1HG2 VAL 41 -4.547 11.969 -3.994 350 HG22 VAL 41 2HG2 VAL 41 -4.551 12.641 -5.646 351 HG23 VAL 41 3HG2 VAL 41 -3.029 12.088 -4.922 352 HA PRO 42 HA PRO 42 -7.823 15.798 -6.749 353 HB2 PRO 42 2HB PRO 42 -6.466 16.920 -8.867 354 HB3 PRO 42 1HB PRO 42 -6.957 17.835 -7.405 355 HG2 PRO 42 2HG PRO 42 -4.273 16.528 -7.962 356 HG3 PRO 42 1HG PRO 42 -4.591 18.217 -7.421 357 HD2 PRO 42 2HD PRO 42 -3.929 16.306 -5.648 358 HD3 PRO 42 1HD PRO 42 -5.233 17.474 -5.258 359 H SER 43 H SER 43 -8.537 14.723 -8.655 360 HA SER 43 HA SER 43 -7.541 12.099 -8.954 361 HB2 SER 43 2HB SER 43 -9.366 13.713 -10.771 362 HB3 SER 43 1HB SER 43 -9.203 11.947 -10.762 363 HG SER 43 HG SER 43 -10.978 12.685 -9.496 364 H GLY 44 H GLY 44 -6.355 15.021 -10.357 365 HA2 GLY 44 2HA GLY 44 -5.379 13.825 -12.828 366 HA3 GLY 44 3HA GLY 44 -5.011 15.439 -12.175 367 H ASP 45 H ASP 45 -4.286 13.933 -9.519 368 HA ASP 45 HA ASP 45 -1.576 13.039 -10.390 369 HB2 ASP 45 2HB ASP 45 -2.374 14.712 -7.980 370 HB3 ASP 45 1HB ASP 45 -0.768 14.037 -8.241 371 H VAL 46 H VAL 46 -4.479 12.058 -8.971 372 HA VAL 46 HA VAL 46 -3.463 10.738 -6.680 373 HB VAL 46 HB VAL 46 -5.826 11.395 -7.057 374 HG11 VAL 46 1HG1 VAL 46 -5.994 8.822 -8.673 375 HG12 VAL 46 2HG1 VAL 46 -7.347 9.852 -8.142 376 HG13 VAL 46 3HG1 VAL 46 -6.181 10.469 -9.336 377 HG21 VAL 46 1HG2 VAL 46 -6.726 9.441 -5.874 378 HG22 VAL 46 2HG2 VAL 46 -5.279 8.507 -6.321 379 HG23 VAL 46 3HG2 VAL 46 -5.134 9.928 -5.249 380 HA PRO 47 HA PRO 47 -3.186 6.725 -9.238 381 HB2 PRO 47 2HB PRO 47 -2.333 6.829 -11.826 382 HB3 PRO 47 1HB PRO 47 -4.070 6.972 -11.382 383 HG2 PRO 47 2HG PRO 47 -2.096 9.226 -11.883 384 HG3 PRO 47 1HG PRO 47 -3.708 8.983 -12.647 385 HD2 PRO 47 2HD PRO 47 -3.425 10.603 -10.527 386 HD3 PRO 47 1HD PRO 47 -4.834 9.505 -10.631 387 H ASP 48 H ASP 48 -1.114 9.556 -9.553 388 HA ASP 48 HA ASP 48 1.346 7.997 -9.784 389 HB2 ASP 48 2HB ASP 48 1.062 10.255 -10.781 390 HB3 ASP 48 1HB ASP 48 0.895 10.930 -9.157 391 H VAL 49 H VAL 49 -0.613 9.450 -7.194 392 HA VAL 49 HA VAL 49 1.439 9.044 -5.160 393 HB VAL 49 HB VAL 49 -1.543 9.578 -4.895 394 HG11 VAL 49 1HG1 VAL 49 0.752 9.852 -2.927 395 HG12 VAL 49 2HG1 VAL 49 -0.927 10.369 -2.637 396 HG13 VAL 49 3HG1 VAL 49 -0.558 8.644 -2.846 397 HG21 VAL 49 1HG2 VAL 49 0.833 11.491 -4.807 398 HG22 VAL 49 2HG2 VAL 49 -0.386 11.412 -6.102 399 HG23 VAL 49 3HG2 VAL 49 -0.857 11.922 -4.473 400 H VAL 50 H VAL 50 -1.273 7.224 -6.546 401 HA VAL 50 HA VAL 50 -1.420 5.215 -4.496 402 HB VAL 50 HB VAL 50 -2.298 5.413 -7.391 403 HG11 VAL 50 1HG1 VAL 50 -2.642 3.081 -5.467 404 HG12 VAL 50 2HG1 VAL 50 -3.615 3.309 -6.943 405 HG13 VAL 50 3HG1 VAL 50 -1.864 3.045 -7.063 406 HG21 VAL 50 1HG2 VAL 50 -3.829 5.195 -4.764 407 HG22 VAL 50 2HG2 VAL 50 -3.490 6.723 -5.601 408 HG23 VAL 50 3HG2 VAL 50 -4.518 5.501 -6.376 409 H GLN 51 H GLN 51 0.457 5.546 -7.558 410 HA GLN 51 HA GLN 51 1.472 2.848 -7.427 411 HB2 GLN 51 2HB GLN 51 1.211 4.179 -9.521 412 HB3 GLN 51 1HB GLN 51 2.424 5.326 -8.931 413 HG2 GLN 51 2HG GLN 51 3.488 3.836 -10.479 414 HG3 GLN 51 1HG GLN 51 4.091 3.464 -8.863 415 HE21 GLN 51 1HE2 GLN 51 3.491 0.167 -10.348 416 HE22 GLN 51 2HE2 GLN 51 4.637 1.491 -10.454 417 H GLU 52 H GLU 52 2.568 6.042 -6.211 418 HA GLU 52 HA GLU 52 5.202 5.115 -5.521 419 HB2 GLU 52 2HB GLU 52 4.513 7.514 -5.728 420 HB3 GLU 52 1HB GLU 52 3.549 7.333 -4.245 421 HG2 GLU 52 2HG GLU 52 5.603 6.670 -3.010 422 HG3 GLU 52 1HG GLU 52 6.557 6.886 -4.486 423 H ALA 53 H ALA 53 2.015 5.025 -3.928 424 HA ALA 53 HA ALA 53 3.029 4.150 -1.377 425 HB1 ALA 53 1HB ALA 53 0.264 3.910 -2.634 426 HB2 ALA 53 2HB ALA 53 0.655 3.680 -0.915 427 HB3 ALA 53 3HB ALA 53 0.850 5.280 -1.669 428 H PHE 54 H PHE 54 2.225 2.497 -4.416 429 HA PHE 54 HA PHE 54 2.218 -0.135 -3.157 430 HB2 PHE 54 2HB PHE 54 2.000 0.969 -5.946 431 HB3 PHE 54 1HB PHE 54 2.366 -0.736 -5.726 432 HD1 PHE 54 1HD PHE 54 0.748 -1.646 -3.512 433 HD2 PHE 54 2HD PHE 54 -0.213 1.213 -6.578 434 HE1 PHE 54 1HE PHE 54 -1.667 -2.166 -3.246 435 HE2 PHE 54 2HE PHE 54 -2.613 0.679 -6.322 436 HZ PHE 54 HZ PHE 54 -3.341 -1.015 -4.653 437 H ILE 55 H ILE 55 4.607 1.872 -4.999 438 HA ILE 55 HA ILE 55 6.612 -0.184 -5.049 439 HB ILE 55 HB ILE 55 6.437 2.782 -5.437 440 HG12 ILE 55 2HG1 ILE 55 7.389 2.282 -7.557 441 HG13 ILE 55 1HG1 ILE 55 7.931 0.671 -7.031 442 HG21 ILE 55 1HG2 ILE 55 9.062 1.306 -5.034 443 HG22 ILE 55 2HG2 ILE 55 8.896 2.940 -5.716 444 HG23 ILE 55 3HG2 ILE 55 8.429 2.645 -4.032 445 HD11 ILE 55 1HD1 ILE 55 5.594 -0.092 -6.922 446 HD12 ILE 55 2HD1 ILE 55 5.043 1.529 -7.429 447 HD13 ILE 55 3HD1 ILE 55 6.002 0.525 -8.534 448 H LYS 56 H LYS 56 5.648 2.267 -2.627 449 HA LYS 56 HA LYS 56 7.771 1.663 -0.774 450 HB2 LYS 56 2HB LYS 56 5.017 2.942 -0.596 451 HB3 LYS 56 1HB LYS 56 6.049 2.724 0.835 452 HG2 LYS 56 2HG LYS 56 7.798 4.054 -0.120 453 HG3 LYS 56 1HG LYS 56 6.996 4.134 -1.694 454 HD2 LYS 56 2HD LYS 56 5.263 5.537 -0.903 455 HD3 LYS 56 1HD LYS 56 5.613 5.174 0.799 456 HE2 LYS 56 2HE LYS 56 7.702 6.367 0.711 457 HE3 LYS 56 1HE LYS 56 7.585 6.581 -1.045 458 HZ1 LYS 56 1HZ LYS 56 5.665 7.707 0.880 459 HZ2 LYS 56 2HZ LYS 56 6.931 8.546 0.230 460 HZ3 LYS 56 3HZ LYS 56 5.732 8.000 -0.739 461 H ALA 57 H ALA 57 4.583 0.230 -1.470 462 HA ALA 57 HA ALA 57 4.559 -1.361 0.943 463 HB1 ALA 57 1HB ALA 57 3.012 -1.640 -1.666 464 HB2 ALA 57 2HB ALA 57 2.642 -2.475 -0.137 465 HB3 ALA 57 3HB ALA 57 2.498 -0.707 -0.241 466 H TYR 58 H TYR 58 5.904 -1.783 -2.328 467 HA TYR 58 HA TYR 58 6.245 -4.647 -2.078 468 HB2 TYR 58 2HB TYR 58 6.159 -3.515 -4.245 469 HB3 TYR 58 1HB TYR 58 7.588 -2.554 -3.827 470 HD1 TYR 58 1HD TYR 58 9.748 -3.344 -4.283 471 HD2 TYR 58 2HD TYR 58 6.419 -6.070 -4.372 472 HE1 TYR 58 1HE TYR 58 11.227 -5.113 -5.192 473 HE2 TYR 58 2HE TYR 58 7.895 -7.847 -5.285 474 HH TYR 58 HH TYR 58 11.372 -7.276 -5.924 475 H ARG 59 H ARG 59 8.419 -1.827 -1.748 476 HA ARG 59 HA ARG 59 10.748 -3.314 -1.018 477 HB2 ARG 59 2HB ARG 59 9.947 -0.416 -0.635 478 HB3 ARG 59 1HB ARG 59 11.598 -1.047 -0.409 479 HG2 ARG 59 2HG ARG 59 11.749 -1.709 -2.726 480 HG3 ARG 59 1HG ARG 59 10.022 -1.407 -2.996 481 HD2 ARG 59 2HD ARG 59 11.281 0.421 -3.934 482 HD3 ARG 59 1HD ARG 59 10.338 0.982 -2.542 483 HE ARG 59 HE ARG 59 12.968 0.229 -1.682 484 HH11 ARG 59 1HH1 ARG 59 11.317 2.751 -3.527 485 HH12 ARG 59 2HH1 ARG 59 12.495 3.979 -3.130 486 HH21 ARG 59 1HH2 ARG 59 14.499 1.839 -1.192 487 HH22 ARG 59 2HH2 ARG 59 14.300 3.462 -1.808 488 H ALA 60 H ALA 60 7.938 -2.387 0.765 489 HA ALA 60 HA ALA 60 9.331 -3.000 3.324 490 HB1 ALA 60 1HB ALA 60 6.688 -1.590 2.852 491 HB2 ALA 60 2HB ALA 60 7.484 -1.833 4.421 492 HB3 ALA 60 3HB ALA 60 8.241 -0.789 3.203 493 H LEU 61 H LEU 61 7.475 -4.565 0.984 494 HA LEU 61 HA LEU 61 5.651 -5.964 2.716 495 HB2 LEU 61 2HB LEU 61 6.281 -5.846 -0.109 496 HB3 LEU 61 1HB LEU 61 6.248 -7.536 0.397 497 HG LEU 61 HG LEU 61 4.034 -5.513 0.973 498 HD11 LEU 61 1HD1 LEU 61 4.228 -7.761 -1.066 499 HD12 LEU 61 2HD1 LEU 61 2.790 -6.749 -0.757 500 HD13 LEU 61 3HD1 LEU 61 4.270 -6.018 -1.430 501 HD21 LEU 61 1HD2 LEU 61 4.253 -8.523 1.338 502 HD22 LEU 61 2HD2 LEU 61 4.094 -7.314 2.633 503 HD23 LEU 61 3HD2 LEU 61 2.745 -7.581 1.509 504 H ASP 62 H ASP 62 9.008 -6.458 1.731 505 HA ASP 62 HA ASP 62 9.179 -9.107 2.905 506 HB2 ASP 62 2HB ASP 62 10.664 -8.257 1.082 507 HB3 ASP 62 1HB ASP 62 11.361 -7.099 2.228 508 H SER 63 H SER 63 8.717 -6.082 4.286 509 HA SER 63 HA SER 63 10.016 -6.940 6.828 510 HB2 SER 63 2HB SER 63 10.891 -4.829 5.812 511 HB3 SER 63 1HB SER 63 9.263 -4.130 5.941 512 HG SER 63 HG SER 63 10.601 -3.618 7.734 513 H PHE 64 H PHE 64 7.086 -6.565 5.152 514 HA PHE 64 HA PHE 64 5.311 -5.889 7.315 515 HB2 PHE 64 2HB PHE 64 4.663 -5.630 4.954 516 HB3 PHE 64 1HB PHE 64 4.974 -7.331 4.665 517 HD1 PHE 64 1HD PHE 64 2.832 -5.104 6.811 518 HD2 PHE 64 2HD PHE 64 3.213 -8.841 4.731 519 HE1 PHE 64 1HE PHE 64 0.475 -5.642 7.345 520 HE2 PHE 64 2HE PHE 64 0.839 -9.375 5.259 521 HZ PHE 64 HZ PHE 64 -0.518 -7.782 6.574 522 H ASP 65 H ASP 65 4.222 -7.162 8.733 523 HA ASP 65 HA ASP 65 5.119 -9.966 9.021 524 HB2 ASP 65 2HB ASP 65 3.481 -8.072 10.727 525 HB3 ASP 65 1HB ASP 65 3.754 -9.775 11.144 526 H ILE 66 H ILE 66 4.030 -11.457 7.885 527 HA ILE 66 HA ILE 66 1.561 -10.962 6.588 528 HB ILE 66 HB ILE 66 3.099 -12.606 5.754 529 HG12 ILE 66 2HG1 ILE 66 1.658 -14.614 5.543 530 HG13 ILE 66 1HG1 ILE 66 0.616 -14.010 6.829 531 HG21 ILE 66 1HG2 ILE 66 2.728 -14.081 8.393 532 HG22 ILE 66 2HG2 ILE 66 3.594 -14.701 6.963 533 HG23 ILE 66 3HG2 ILE 66 4.213 -13.276 7.808 534 HD11 ILE 66 1HD1 ILE 66 1.242 -12.547 4.220 535 HD12 ILE 66 2HD1 ILE 66 -0.253 -13.459 4.547 536 HD13 ILE 66 3HD1 ILE 66 0.100 -11.988 5.463 537 H ASN 67 H ASN 67 2.280 -11.880 9.859 538 HA ASN 67 HA ASN 67 -0.281 -13.159 10.333 539 HB2 ASN 67 2HB ASN 67 1.812 -12.228 12.328 540 HB3 ASN 67 1HB ASN 67 0.501 -13.410 12.567 541 HD21 ASN 67 1HD2 ASN 67 2.096 -16.012 10.625 542 HD22 ASN 67 2HD2 ASN 67 0.526 -15.351 11.037 543 H ARG 68 H ARG 68 0.217 -10.157 9.560 544 HA ARG 68 HA ARG 68 -1.826 -9.015 11.420 545 HB2 ARG 68 2HB ARG 68 0.472 -7.671 9.962 546 HB3 ARG 68 1HB ARG 68 -0.747 -6.817 10.916 547 HG2 ARG 68 2HG ARG 68 1.204 -8.896 11.994 548 HG3 ARG 68 1HG ARG 68 1.355 -7.142 12.185 549 HD2 ARG 68 2HD ARG 68 -0.775 -7.074 13.422 550 HD3 ARG 68 1HD ARG 68 -0.951 -8.829 13.251 551 HE ARG 68 HE ARG 68 1.001 -7.387 14.952 552 HH11 ARG 68 1HH1 ARG 68 -0.295 -10.490 13.811 553 HH12 ARG 68 2HH1 ARG 68 0.481 -11.398 15.081 554 HH21 ARG 68 1HH2 ARG 68 1.993 -8.604 16.579 555 HH22 ARG 68 2HH2 ARG 68 1.763 -10.335 16.657 556 H LYS 69 H LYS 69 -2.953 -7.072 10.236 557 HA LYS 69 HA LYS 69 -4.315 -8.258 8.009 558 HB2 LYS 69 2HB LYS 69 -5.259 -6.625 9.754 559 HB3 LYS 69 1HB LYS 69 -4.381 -5.355 8.902 560 HG2 LYS 69 2HG LYS 69 -6.620 -5.323 8.089 561 HG3 LYS 69 1HG LYS 69 -5.641 -6.024 6.788 562 HD2 LYS 69 2HD LYS 69 -6.377 -8.279 7.410 563 HD3 LYS 69 1HD LYS 69 -7.206 -7.646 8.849 564 HE2 LYS 69 2HE LYS 69 -7.854 -6.889 5.977 565 HE3 LYS 69 1HE LYS 69 -8.753 -8.090 6.935 566 HZ1 LYS 69 1HZ LYS 69 -8.458 -5.234 7.592 567 HZ2 LYS 69 2HZ LYS 69 -9.810 -5.941 6.990 568 HZ3 LYS 69 3HZ LYS 69 -9.275 -6.339 8.496 569 H PHE 70 H PHE 70 -3.947 -8.113 5.875 570 HA PHE 70 HA PHE 70 -1.610 -6.747 4.863 571 HB2 PHE 70 2HB PHE 70 -2.757 -7.518 2.640 572 HB3 PHE 70 1HB PHE 70 -2.074 -8.712 3.740 573 HD1 PHE 70 1HD PHE 70 -3.370 -10.366 4.796 574 HD2 PHE 70 2HD PHE 70 -5.304 -7.204 2.607 575 HE1 PHE 70 1HE PHE 70 -5.539 -11.552 4.993 576 HE2 PHE 70 2HE PHE 70 -7.465 -8.393 2.815 577 HZ PHE 70 HZ PHE 70 -7.588 -10.561 4.003 578 H SER 71 H SER 71 -5.117 -6.035 4.884 579 HA SER 71 HA SER 71 -4.777 -3.911 2.916 580 HB2 SER 71 2HB SER 71 -7.209 -3.616 3.228 581 HB3 SER 71 1HB SER 71 -6.741 -5.297 2.876 582 HG SER 71 HG SER 71 -8.249 -5.079 4.618 583 H THR 72 H THR 72 -5.369 -4.042 6.474 584 HA THR 72 HA THR 72 -5.792 -1.232 6.772 585 HB THR 72 HB THR 72 -4.686 -3.340 8.651 586 HG1 THR 72 1HG THR 72 -6.808 -3.488 9.292 587 HG21 THR 72 1HG2 THR 72 -5.849 -0.594 9.284 588 HG22 THR 72 2HG2 THR 72 -5.419 -1.848 10.477 589 HG23 THR 72 3HG2 THR 72 -4.150 -1.087 9.500 590 H TRP 73 H TRP 73 -2.859 -3.242 6.604 591 HA TRP 73 HA TRP 73 -1.061 -1.059 7.297 592 HB2 TRP 73 2HB TRP 73 -0.431 -3.295 7.837 593 HB3 TRP 73 1HB TRP 73 -0.770 -3.847 6.204 594 HD1 TRP 73 HD TRP 73 1.939 -2.096 8.225 595 HE1 TRP 73 1HE TRP 73 4.137 -2.181 6.921 596 HE3 TRP 73 3HE TRP 73 0.134 -3.757 3.757 597 HZ2 TRP 73 2HZ TRP 73 5.020 -2.973 4.263 598 HZ3 TRP 73 3HZ TRP 73 1.660 -4.116 1.842 599 HH2 TRP 73 HH TRP 73 4.102 -3.730 2.093 600 H LEU 74 H LEU 74 -2.588 -2.303 4.357 601 HA LEU 74 HA LEU 74 -0.737 -0.960 2.555 602 HB2 LEU 74 2HB LEU 74 -1.986 -2.954 1.847 603 HB3 LEU 74 1HB LEU 74 -3.517 -2.136 2.169 604 HG LEU 74 HG LEU 74 -3.132 -0.528 0.395 605 HD11 LEU 74 1HD1 LEU 74 -0.502 -1.994 -0.109 606 HD12 LEU 74 2HD1 LEU 74 -1.213 -0.739 -1.149 607 HD13 LEU 74 3HD1 LEU 74 -0.665 -0.319 0.477 608 HD21 LEU 74 1HD2 LEU 74 -2.547 -3.378 -0.499 609 HD22 LEU 74 2HD2 LEU 74 -4.158 -2.709 -0.147 610 HD23 LEU 74 3HD2 LEU 74 -3.215 -2.079 -1.515 611 H TYR 75 H TYR 75 -3.957 -0.250 3.962 612 HA TYR 75 HA TYR 75 -4.366 2.134 2.398 613 HB2 TYR 75 2HB TYR 75 -5.580 1.196 5.024 614 HB3 TYR 75 1HB TYR 75 -6.209 2.511 4.038 615 HD1 TYR 75 1HD TYR 75 -5.882 1.226 1.273 616 HD2 TYR 75 2HD TYR 75 -7.356 -0.318 5.010 617 HE1 TYR 75 1HE TYR 75 -7.324 -0.372 0.042 618 HE2 TYR 75 2HE TYR 75 -8.799 -1.923 3.779 619 HH TYR 75 HH TYR 75 -8.872 -2.062 0.206 620 H ARG 76 H ARG 76 -2.758 1.447 5.490 621 HA ARG 76 HA ARG 76 -2.685 4.179 6.372 622 HB2 ARG 76 2HB ARG 76 -2.458 2.201 7.846 623 HB3 ARG 76 1HB ARG 76 -0.951 1.753 7.038 624 HG2 ARG 76 2HG ARG 76 -0.570 2.919 9.208 625 HG3 ARG 76 1HG ARG 76 0.157 3.764 7.842 626 HD2 ARG 76 2HD ARG 76 -1.003 5.306 9.414 627 HD3 ARG 76 1HD ARG 76 -1.667 5.353 7.771 628 HE ARG 76 HE ARG 76 -3.684 4.581 8.559 629 HH11 ARG 76 1HH1 ARG 76 -1.242 3.940 11.072 630 HH12 ARG 76 2HH1 ARG 76 -2.444 3.431 12.229 631 HH21 ARG 76 1HH2 ARG 76 -5.180 3.860 10.094 632 HH22 ARG 76 2HH2 ARG 76 -4.636 3.335 11.669 633 H ILE 77 H ILE 77 -0.711 2.233 4.177 634 HA ILE 77 HA ILE 77 1.556 4.057 4.255 635 HB ILE 77 HB ILE 77 0.757 1.663 2.571 636 HG12 ILE 77 2HG1 ILE 77 2.924 2.287 4.615 637 HG13 ILE 77 1HG1 ILE 77 1.482 1.321 4.899 638 HG21 ILE 77 1HG2 ILE 77 3.274 3.369 2.285 639 HG22 ILE 77 2HG2 ILE 77 2.978 1.807 1.481 640 HG23 ILE 77 3HG2 ILE 77 1.973 3.197 1.080 641 HD11 ILE 77 1HD1 ILE 77 3.363 -0.176 4.564 642 HD12 ILE 77 2HD1 ILE 77 2.259 -0.331 3.178 643 HD13 ILE 77 3HD1 ILE 77 3.772 0.598 3.024 644 H ALA 78 H ALA 78 -1.349 3.622 2.199 645 HA ALA 78 HA ALA 78 -0.309 5.412 0.170 646 HB1 ALA 78 1HB ALA 78 -3.121 4.369 0.698 647 HB2 ALA 78 2HB ALA 78 -2.562 5.163 -0.795 648 HB3 ALA 78 3HB ALA 78 -1.878 3.588 -0.313 649 H VAL 79 H VAL 79 -2.365 5.817 3.067 650 HA VAL 79 HA VAL 79 -3.003 8.549 2.249 651 HB VAL 79 HB VAL 79 -4.567 7.059 3.472 652 HG11 VAL 79 1HG1 VAL 79 -2.962 6.142 5.116 653 HG12 VAL 79 2HG1 VAL 79 -2.825 7.750 5.871 654 HG13 VAL 79 3HG1 VAL 79 -4.376 6.882 5.902 655 HG21 VAL 79 1HG2 VAL 79 -5.457 8.877 4.873 656 HG22 VAL 79 2HG2 VAL 79 -3.913 9.746 4.744 657 HG23 VAL 79 3HG2 VAL 79 -4.894 9.473 3.293 658 H ASN 80 H ASN 80 -0.490 6.953 4.133 659 HA ASN 80 HA ASN 80 0.444 9.474 5.300 660 HB2 ASN 80 2HB ASN 80 1.625 6.681 5.081 661 HB3 ASN 80 1HB ASN 80 2.491 8.044 5.795 662 HD21 ASN 80 1HD2 ASN 80 0.998 6.414 8.687 663 HD22 ASN 80 2HD2 ASN 80 2.293 6.161 7.527 664 H THR 81 H THR 81 1.069 7.500 2.395 665 HA THR 81 HA THR 81 3.232 9.140 1.415 666 HB THR 81 HB THR 81 1.264 7.223 0.096 667 HG1 THR 81 1HG THR 81 2.748 6.249 1.410 668 HG21 THR 81 1HG2 THR 81 1.967 8.734 -1.658 669 HG22 THR 81 2HG2 THR 81 3.660 8.668 -1.097 670 HG23 THR 81 3HG2 THR 81 2.890 7.234 -1.824 671 H ALA 82 H ALA 82 -0.260 9.456 1.565 672 HA ALA 82 HA ALA 82 -0.485 11.379 -0.573 673 HB1 ALA 82 1HB ALA 82 -2.747 11.671 0.282 674 HB2 ALA 82 2HB ALA 82 -2.338 9.934 0.314 675 HB3 ALA 82 3HB ALA 82 -2.310 10.897 1.814 676 H LYS 83 H LYS 83 -0.017 11.612 3.021 677 HA LYS 83 HA LYS 83 -0.353 14.469 3.025 678 HB2 LYS 83 2HB LYS 83 1.454 13.081 4.993 679 HB3 LYS 83 1HB LYS 83 0.339 14.436 5.225 680 HG2 LYS 83 2HG LYS 83 -0.320 11.494 5.063 681 HG3 LYS 83 1HG LYS 83 -0.455 12.588 6.438 682 HD2 LYS 83 2HD LYS 83 -2.106 13.921 4.823 683 HD3 LYS 83 1HD LYS 83 -2.267 12.322 4.056 684 HE2 LYS 83 2HE LYS 83 -2.738 13.042 6.972 685 HE3 LYS 83 1HE LYS 83 -3.958 12.551 5.784 686 HZ1 LYS 83 1HZ LYS 83 -3.373 10.715 7.181 687 HZ2 LYS 83 2HZ LYS 83 -2.786 10.410 5.672 688 HZ3 LYS 83 3HZ LYS 83 -1.772 10.890 6.872 689 H ASN 84 H ASN 84 2.396 12.280 2.485 690 HA ASN 84 HA ASN 84 4.417 14.328 2.718 691 HB2 ASN 84 2HB ASN 84 4.437 11.575 1.433 692 HB3 ASN 84 1HB ASN 84 5.864 12.595 1.673 693 HD21 ASN 84 1HD2 ASN 84 5.858 10.245 4.522 694 HD22 ASN 84 2HD2 ASN 84 6.090 10.190 2.786 695 H TYR 85 H TYR 85 2.302 13.225 0.077 696 HA TYR 85 HA TYR 85 3.878 14.518 -1.994 697 HB2 TYR 85 2HB TYR 85 2.361 12.687 -2.522 698 HB3 TYR 85 1HB TYR 85 0.993 13.581 -1.865 699 HD1 TYR 85 1HD TYR 85 -0.270 15.026 -3.228 700 HD2 TYR 85 2HD TYR 85 3.618 13.734 -4.543 701 HE1 TYR 85 1HE TYR 85 -0.671 16.087 -5.436 702 HE2 TYR 85 2HE TYR 85 3.220 14.777 -6.758 703 HH TYR 85 HH TYR 85 0.199 16.554 -7.506 704 H LEU 86 H LEU 86 1.212 15.414 0.181 705 HA LEU 86 HA LEU 86 0.674 17.969 -1.048 706 HB2 LEU 86 2HB LEU 86 0.180 16.828 1.722 707 HB3 LEU 86 1HB LEU 86 -0.455 18.387 1.191 708 HG LEU 86 HG LEU 86 -1.087 15.686 -0.084 709 HD11 LEU 86 1HD1 LEU 86 -2.790 17.595 1.568 710 HD12 LEU 86 2HD1 LEU 86 -3.338 16.072 0.833 711 HD13 LEU 86 3HD1 LEU 86 -2.124 16.040 2.129 712 HD21 LEU 86 1HD2 LEU 86 -2.785 16.940 -1.378 713 HD22 LEU 86 2HD2 LEU 86 -2.136 18.471 -0.734 714 HD23 LEU 86 3HD2 LEU 86 -1.144 17.430 -1.792 715 H VAL 87 H VAL 87 3.159 16.801 1.122 716 HA VAL 87 HA VAL 87 4.020 19.516 1.876 717 HB VAL 87 HB VAL 87 5.188 16.741 2.291 718 HG11 VAL 87 1HG1 VAL 87 6.149 19.443 3.323 719 HG12 VAL 87 2HG1 VAL 87 6.731 17.861 3.896 720 HG13 VAL 87 3HG1 VAL 87 7.029 18.353 2.219 721 HG21 VAL 87 1HG2 VAL 87 3.930 18.731 4.231 722 HG22 VAL 87 2HG2 VAL 87 3.095 17.320 3.549 723 HG23 VAL 87 3HG2 VAL 87 4.495 17.080 4.610 724 H ALA 88 H ALA 88 4.678 17.030 -0.546 725 HA ALA 88 HA ALA 88 7.125 18.225 -1.499 726 HB1 ALA 88 1HB ALA 88 6.895 16.583 -3.312 727 HB2 ALA 88 2HB ALA 88 6.607 15.826 -1.733 728 HB3 ALA 88 3HB ALA 88 5.232 16.221 -2.791 729 H GLN 89 H GLN 89 3.725 18.936 -1.964 730 HA GLN 89 HA GLN 89 4.603 20.845 -4.068 731 HB2 GLN 89 2HB GLN 89 1.722 20.060 -3.700 732 HB3 GLN 89 1HB GLN 89 2.503 20.862 -5.069 733 HG2 GLN 89 2HG GLN 89 2.830 17.957 -4.206 734 HG3 GLN 89 1HG GLN 89 1.934 18.533 -5.604 735 HE21 GLN 89 1HE2 GLN 89 5.289 17.243 -6.689 736 HE22 GLN 89 2HE2 GLN 89 3.928 16.592 -5.803 737 H GLY 90 H GLY 90 3.845 20.613 -0.814 738 HA2 GLY 90 2HA GLY 90 2.454 23.159 -0.531 739 HA3 GLY 90 3HA GLY 90 3.166 22.166 0.760 740 H ARG 91 H ARG 91 5.745 22.042 -0.851 741 HA ARG 91 HA ARG 91 6.831 24.699 -0.096 742 HB2 ARG 91 2HB ARG 91 8.185 22.040 -0.687 743 HB3 ARG 91 1HB ARG 91 9.022 23.534 -0.210 744 HG2 ARG 91 2HG ARG 91 7.818 23.578 1.923 745 HG3 ARG 91 1HG ARG 91 6.883 22.137 1.467 746 HD2 ARG 91 2HD ARG 91 9.910 22.214 1.726 747 HD3 ARG 91 1HD ARG 91 8.802 21.639 2.987 748 HE ARG 91 HE ARG 91 8.089 20.188 0.733 749 HH11 ARG 91 1HH1 ARG 91 11.053 20.644 2.604 750 HH12 ARG 91 2HH1 ARG 91 11.687 19.064 2.206 751 HH21 ARG 91 1HH2 ARG 91 8.944 18.128 0.229 752 HH22 ARG 91 2HH2 ARG 91 10.491 17.648 0.875 753 H ARG 92 H ARG 92 5.292 23.751 -2.632 754 HA ARG 92 HA ARG 92 7.161 23.874 -4.808 755 HB2 ARG 92 2HB ARG 92 4.980 22.656 -4.710 756 HB3 ARG 92 1HB ARG 92 4.128 24.202 -4.756 757 HG2 ARG 92 2HG ARG 92 4.207 23.002 -6.911 758 HG3 ARG 92 1HG ARG 92 4.903 24.631 -7.006 759 HD2 ARG 92 2HD ARG 92 6.265 22.983 -8.238 760 HD3 ARG 92 1HD ARG 92 7.164 23.716 -6.905 761 HE ARG 92 HE ARG 92 5.821 21.192 -6.236 762 HH11 ARG 92 1HH1 ARG 92 8.760 22.655 -7.541 763 HH12 ARG 92 2HH1 ARG 92 9.776 21.308 -7.079 764 HH21 ARG 92 1HH2 ARG 92 7.172 19.488 -5.581 765 HH22 ARG 92 2HH2 ARG 92 8.869 19.498 -5.999 766 H LEU 93 H LEU 93 5.651 26.288 -2.860 767 HA LEU 93 HA LEU 93 6.190 28.364 -4.919 768 HB2 LEU 93 2HB LEU 93 3.820 28.027 -4.230 769 HB3 LEU 93 1HB LEU 93 4.263 28.425 -2.569 770 HG LEU 93 HG LEU 93 4.871 30.716 -3.249 771 HD11 LEU 93 1HD1 LEU 93 4.055 29.813 -6.045 772 HD12 LEU 93 2HD1 LEU 93 4.388 31.490 -5.558 773 HD13 LEU 93 3HD1 LEU 93 5.696 30.298 -5.534 774 HD21 LEU 93 1HD2 LEU 93 2.534 30.207 -2.657 775 HD22 LEU 93 2HD2 LEU 93 2.630 31.483 -3.886 776 HD23 LEU 93 3HD2 LEU 93 2.177 29.829 -4.358 777 H GLU 94 H GLU 94 7.626 26.956 -2.320 778 HA GLU 94 HA GLU 94 8.445 29.417 -0.936 779 HB2 GLU 94 2HB GLU 94 9.080 26.481 -0.457 780 HB3 GLU 94 1HB GLU 94 9.600 27.816 0.577 781 HG2 GLU 94 2HG GLU 94 6.715 27.041 -0.008 782 HG3 GLU 94 1HG GLU 94 7.598 26.693 1.479 783 H LEU 95 H LEU 95 10.766 29.616 -0.406 784 HA LEU 95 HA LEU 95 12.644 28.708 -2.490 785 HB2 LEU 95 2HB LEU 95 11.641 30.774 -3.394 786 HB3 LEU 95 1HB LEU 95 12.041 31.628 -1.896 787 HG LEU 95 HG LEU 95 14.455 31.253 -2.319 788 HD11 LEU 95 1HD1 LEU 95 14.340 29.172 -3.642 789 HD12 LEU 95 2HD1 LEU 95 13.474 30.029 -4.939 790 HD13 LEU 95 3HD1 LEU 95 15.164 30.435 -4.567 791 HD21 LEU 95 1HD2 LEU 95 12.946 32.486 -4.664 792 HD22 LEU 95 2HD2 LEU 95 13.334 33.298 -3.131 793 HD23 LEU 95 3HD2 LEU 95 14.642 32.804 -4.227 794 H5' GNG 96 H5T DG 96 13.022 2.727 7.466 795 H5'1 GNG 96 1H5* DG 96 11.662 0.873 7.487 796 H5'2 GNG 96 2H5* DG 96 10.917 2.244 6.645 797 H4' GNG 96 H4* DG 96 10.446 1.509 9.565 798 H1' GNG 96 H1* DG 96 7.463 3.010 8.822 799 H8 GNG 96 8H DG 96 8.592 3.876 5.252 800 HN21 GNG 96 1H2 DG 96 5.762 8.198 10.653 801 HN22 GNG 96 2H2 DG 96 6.238 6.620 11.253 802 H2'1 GNG 96 1H2* DG 96 8.679 2.008 6.235 803 H2'2 GNG 96 2H2* DG 96 7.182 1.463 7.060 804 H3' GNG 96 H3* DG 96 9.494 0.125 7.419 805 HN1 GNG 96 1H DG 96 6.046 8.776 8.523 806 H5' DT 97 1H5* DT 97 6.392 1.633 10.449 807 H5'' DT 97 2H5* DT 97 5.172 0.419 10.850 808 H4' DT 97 H4* DT 97 4.243 2.726 10.783 809 H3' DT 97 H3* DT 97 2.994 0.488 9.720 810 H2' DT 97 1H2* DT 97 3.776 0.843 7.508 811 H2'' DT 97 2H2* DT 97 2.176 1.666 7.444 812 H1' DT 97 H1* DT 97 3.097 3.777 8.005 813 H3 DT 97 3H DT 97 4.864 5.740 4.375 814 H71 DT 97 1H7 DT 97 7.522 1.763 3.746 815 H72 DT 97 2H7 DT 97 6.436 0.549 4.469 816 H73 DT 97 3H7 DT 97 6.033 1.310 2.907 817 H6 DT 97 6H DT 97 5.230 1.323 6.221 818 H5' DA 98 1H5* DA 98 -0.319 0.689 9.553 819 H5'' DA 98 2H5* DA 98 -1.224 1.569 10.800 820 H4' DA 98 H4* DA 98 -2.363 -0.464 10.592 821 H3' DA 98 H3* DA 98 -1.190 0.209 13.011 822 H2' DA 98 1H2* DA 98 0.624 -1.202 13.074 823 H2'' DA 98 2H2* DA 98 -0.570 -2.449 13.533 824 H1' DA 98 H1* DA 98 -0.485 -3.432 11.477 825 H8 DA 98 8H DA 98 2.229 -0.637 11.708 826 H61 DA 98 1H6 DA 98 5.998 -4.842 9.174 827 H62 DA 98 2H6 DA 98 5.892 -3.228 9.848 828 H2 DA 98 2H DA 98 1.898 -6.568 9.291 829 H5' DA 99 1H5* DA 99 -5.018 -1.847 15.203 830 H5'' DA 99 2H5* DA 99 -4.519 -2.962 13.906 831 H4' DA 99 H4* DA 99 -6.542 -3.826 14.758 832 H3' DA 99 H3* DA 99 -6.298 -3.267 12.127 833 H2' DA 99 1H2* DA 99 -7.256 -1.194 11.919 834 H2'' DA 99 2H2* DA 99 -8.822 -2.050 11.967 835 H1' DA 99 H1* DA 99 -9.283 -1.239 14.040 836 H8 DA 99 8H DA 99 -7.181 0.745 12.020 837 H61 DA 99 1H6 DA 99 -6.453 4.847 16.624 838 H62 DA 99 2H6 DA 99 -6.265 4.586 14.900 839 H2 DA 99 2H DA 99 -8.088 1.110 18.361 840 H5' DA 100 1H5* DA 100 -10.807 -3.688 12.259 841 H5'' DA 100 2H5* DA 100 -11.185 -5.026 11.152 842 H4' DA 100 H4* DA 100 -12.694 -3.310 10.531 843 H3' DA 100 H3* DA 100 -10.731 -4.171 8.704 844 H2' DA 100 1H2* DA 100 -9.435 -2.198 8.871 845 H2'' DA 100 2H2* DA 100 -10.540 -1.725 7.531 846 H1' DA 100 H1* DA 100 -12.067 -0.693 9.069 847 H8 DA 100 8H DA 100 -8.271 -0.709 9.988 848 H61 DA 100 1H6 DA 100 -8.987 5.444 10.515 849 H62 DA 100 2H6 DA 100 -7.828 4.123 10.583 850 H2 DA 100 2H DA 100 -12.958 3.668 9.671 851 H5' DA 101 1H5* DA 101 -11.590 -1.205 5.621 852 H5'' DA 101 2H5* DA 101 -12.679 -0.797 6.966 853 H4' DA 101 H4* DA 101 -14.471 -0.298 5.201 854 H3' DA 101 H3* DA 101 -12.892 -1.462 3.356 855 HO3' DA 101 H3T DA 101 -14.121 1.083 2.948 856 H2' DA 101 1H2* DA 101 -10.895 -0.295 3.746 857 H2'' DA 101 2H2* DA 101 -11.572 0.761 2.469 858 H1' DA 101 H1* DA 101 -12.134 2.404 3.969 859 H8 DA 101 8H DA 101 -9.825 -0.262 5.611 860 H61 DA 101 1H6 DA 101 -6.857 4.658 7.937 861 H62 DA 101 2H6 DA 101 -6.825 2.904 7.781 862 H2 DA 101 2H DA 101 -10.521 6.105 5.922 Start of MODEL 2 1 H1 MET 1 1H MET 1 -12.886 -16.560 -16.040 2 H2 MET 1 2H MET 1 -12.735 -15.681 -14.648 3 H3 MET 1 3H MET 1 -14.006 -16.716 -14.847 4 HA MET 1 HA MET 1 -12.568 -18.600 -14.867 5 HB2 MET 1 2HB MET 1 -10.619 -17.420 -15.836 6 HB3 MET 1 1HB MET 1 -10.378 -16.576 -14.295 7 HG2 MET 1 2HG MET 1 -8.886 -18.532 -14.540 8 HG3 MET 1 1HG MET 1 -9.972 -18.711 -13.164 9 HE1 MET 1 1HE MET 1 -9.441 -22.384 -14.324 10 HE2 MET 1 2HE MET 1 -8.260 -21.054 -14.320 11 HE3 MET 1 3HE MET 1 -9.398 -21.237 -12.965 12 H SER 2 H SER 2 -12.237 -19.733 -12.932 13 HA SER 2 HA SER 2 -13.542 -18.583 -10.629 14 HB2 SER 2 2HB SER 2 -12.023 -21.192 -10.978 15 HB3 SER 2 1HB SER 2 -13.098 -20.787 -9.620 16 HG SER 2 HG SER 2 -14.176 -21.988 -11.253 17 H GLU 3 H GLU 3 -12.536 -18.876 -8.393 18 HA GLU 3 HA GLU 3 -9.677 -18.041 -8.404 19 HB2 GLU 3 2HB GLU 3 -11.127 -16.112 -7.984 20 HB3 GLU 3 1HB GLU 3 -11.976 -17.002 -6.715 21 HG2 GLU 3 2HG GLU 3 -10.399 -15.458 -5.714 22 HG3 GLU 3 1HG GLU 3 -9.880 -17.117 -5.390 23 H GLN 4 H GLN 4 -8.406 -18.812 -6.742 24 HA GLN 4 HA GLN 4 -9.567 -20.795 -4.853 25 HB2 GLN 4 2HB GLN 4 -7.217 -21.244 -6.731 26 HB3 GLN 4 1HB GLN 4 -7.711 -22.346 -5.437 27 HG2 GLN 4 2HG GLN 4 -9.933 -22.622 -6.538 28 HG3 GLN 4 1HG GLN 4 -9.385 -21.597 -7.873 29 HE21 GLN 4 1HE2 GLN 4 -8.889 -25.025 -9.084 30 HE22 GLN 4 2HE2 GLN 4 -10.203 -23.922 -8.743 31 H LEU 5 H LEU 5 -7.492 -18.184 -5.556 32 HA LEU 5 HA LEU 5 -5.753 -18.667 -3.174 33 HB2 LEU 5 2HB LEU 5 -5.467 -17.016 -5.701 34 HB3 LEU 5 1HB LEU 5 -4.410 -16.816 -4.301 35 HG LEU 5 HG LEU 5 -3.353 -18.144 -6.037 36 HD11 LEU 5 1HD1 LEU 5 -2.679 -20.093 -4.698 37 HD12 LEU 5 2HD1 LEU 5 -2.740 -18.615 -3.720 38 HD13 LEU 5 3HD1 LEU 5 -4.044 -19.826 -3.597 39 HD21 LEU 5 1HD2 LEU 5 -4.090 -20.308 -6.739 40 HD22 LEU 5 2HD2 LEU 5 -5.428 -20.312 -5.577 41 HD23 LEU 5 3HD2 LEU 5 -5.451 -19.191 -6.968 42 H THR 6 H THR 6 -5.452 -16.950 -1.716 43 HA THR 6 HA THR 6 -7.527 -14.809 -1.821 44 HB THR 6 HB THR 6 -8.071 -16.437 -0.098 45 HG1 THR 6 1HG THR 6 -8.125 -14.978 1.608 46 HG21 THR 6 1HG2 THR 6 -5.306 -15.817 1.029 47 HG22 THR 6 2HG2 THR 6 -6.574 -16.753 1.855 48 HG23 THR 6 3HG2 THR 6 -5.852 -17.377 0.364 49 H ASP 7 H ASP 7 -6.823 -12.891 -0.331 50 HA ASP 7 HA ASP 7 -4.468 -11.830 -1.527 51 HB2 ASP 7 2HB ASP 7 -6.026 -10.996 0.942 52 HB3 ASP 7 1HB ASP 7 -4.793 -9.997 0.160 53 H GLN 8 H GLN 8 -4.954 -13.779 1.346 54 HA GLN 8 HA GLN 8 -2.611 -12.951 2.776 55 HB2 GLN 8 2HB GLN 8 -4.673 -14.240 3.609 56 HB3 GLN 8 1HB GLN 8 -3.926 -15.686 2.895 57 HG2 GLN 8 2HG GLN 8 -1.898 -15.305 4.284 58 HG3 GLN 8 1HG GLN 8 -2.683 -13.893 5.021 59 HE21 GLN 8 1HE2 GLN 8 -3.252 -16.542 7.470 60 HE22 GLN 8 2HE2 GLN 8 -1.967 -15.492 6.905 61 H VAL 9 H VAL 9 -3.211 -15.539 0.349 62 HA VAL 9 HA VAL 9 -0.555 -16.668 0.783 63 HB VAL 9 HB VAL 9 -2.339 -18.197 0.319 64 HG11 VAL 9 1HG1 VAL 9 -3.890 -16.704 -0.744 65 HG12 VAL 9 2HG1 VAL 9 -2.850 -16.572 -2.189 66 HG13 VAL 9 3HG1 VAL 9 -3.632 -18.124 -1.769 67 HG21 VAL 9 1HG2 VAL 9 -0.143 -18.731 -0.727 68 HG22 VAL 9 2HG2 VAL 9 -1.527 -19.402 -1.616 69 HG23 VAL 9 3HG2 VAL 9 -0.699 -17.954 -2.231 70 H LEU 10 H LEU 10 -2.040 -14.328 -1.412 71 HA LEU 10 HA LEU 10 0.041 -14.356 -3.388 72 HB2 LEU 10 2HB LEU 10 -2.192 -12.545 -2.522 73 HB3 LEU 10 1HB LEU 10 -0.867 -11.817 -3.447 74 HG LEU 10 HG LEU 10 -1.151 -13.333 -5.272 75 HD11 LEU 10 1HD1 LEU 10 -1.817 -15.360 -4.066 76 HD12 LEU 10 2HD1 LEU 10 -3.369 -14.582 -3.624 77 HD13 LEU 10 3HD1 LEU 10 -3.005 -14.969 -5.327 78 HD21 LEU 10 1HD2 LEU 10 -3.834 -12.239 -4.307 79 HD22 LEU 10 2HD2 LEU 10 -2.611 -11.336 -5.239 80 HD23 LEU 10 3HD2 LEU 10 -3.459 -12.704 -5.982 81 H VAL 11 H VAL 11 -0.344 -12.826 -0.208 82 HA VAL 11 HA VAL 11 1.886 -11.011 -0.529 83 HB VAL 11 HB VAL 11 0.282 -12.011 1.852 84 HG11 VAL 11 1HG1 VAL 11 2.495 -11.438 2.706 85 HG12 VAL 11 2HG1 VAL 11 2.528 -9.959 1.716 86 HG13 VAL 11 3HG1 VAL 11 1.391 -10.102 3.082 87 HG21 VAL 11 1HG2 VAL 11 0.438 -9.305 0.466 88 HG22 VAL 11 2HG2 VAL 11 -0.829 -10.526 0.188 89 HG23 VAL 11 3HG2 VAL 11 -0.660 -9.766 1.787 90 H GLU 12 H GLU 12 1.513 -14.339 0.830 91 HA GLU 12 HA GLU 12 4.130 -14.302 2.023 92 HB2 GLU 12 2HB GLU 12 2.415 -16.654 1.132 93 HB3 GLU 12 1HB GLU 12 3.856 -16.746 2.166 94 HG2 GLU 12 2HG GLU 12 2.697 -15.114 3.739 95 HG3 GLU 12 1HG GLU 12 1.239 -15.331 2.779 96 H ARG 13 H ARG 13 2.925 -15.043 -1.224 97 HA ARG 13 HA ARG 13 5.308 -16.389 -2.146 98 HB2 ARG 13 2HB ARG 13 2.960 -15.027 -3.500 99 HB3 ARG 13 1HB ARG 13 4.283 -15.768 -4.424 100 HG2 ARG 13 2HG ARG 13 3.894 -17.930 -3.401 101 HG3 ARG 13 1HG ARG 13 2.657 -17.251 -2.324 102 HD2 ARG 13 2HD ARG 13 1.253 -16.677 -4.263 103 HD3 ARG 13 1HD ARG 13 2.510 -17.275 -5.364 104 HE ARG 13 HE ARG 13 1.850 -19.364 -3.552 105 HH11 ARG 13 1HH1 ARG 13 0.365 -17.556 -6.210 106 HH12 ARG 13 2HH1 ARG 13 -0.667 -18.887 -6.681 107 HH21 ARG 13 1HH2 ARG 13 0.506 -21.076 -4.204 108 HH22 ARG 13 2HH2 ARG 13 -0.582 -20.870 -5.552 109 H VAL 14 H VAL 14 4.280 -12.919 -2.212 110 HA VAL 14 HA VAL 14 6.620 -12.206 -3.763 111 HB VAL 14 HB VAL 14 4.855 -10.803 -4.076 112 HG11 VAL 14 1HG1 VAL 14 4.578 -10.303 -1.098 113 HG12 VAL 14 2HG1 VAL 14 3.594 -9.615 -2.431 114 HG13 VAL 14 3HG1 VAL 14 3.515 -11.347 -2.086 115 HG21 VAL 14 1HG2 VAL 14 6.969 -9.536 -3.792 116 HG22 VAL 14 2HG2 VAL 14 5.542 -8.582 -3.310 117 HG23 VAL 14 3HG2 VAL 14 6.576 -9.293 -2.065 118 H GLN 15 H GLN 15 6.108 -12.788 -0.317 119 HA GLN 15 HA GLN 15 8.577 -11.482 0.458 120 HB2 GLN 15 2HB GLN 15 6.977 -13.737 1.743 121 HB3 GLN 15 1HB GLN 15 8.416 -12.983 2.449 122 HG2 GLN 15 2HG GLN 15 7.268 -10.755 2.311 123 HG3 GLN 15 1HG GLN 15 5.789 -11.580 1.819 124 HE21 GLN 15 1HE2 GLN 15 5.550 -11.067 5.485 125 HE22 GLN 15 2HE2 GLN 15 5.468 -10.138 4.006 126 H LYS 16 H LYS 16 7.739 -14.672 -0.935 127 HA LYS 16 HA LYS 16 10.410 -15.752 -0.551 128 HB2 LYS 16 2HB LYS 16 8.069 -16.642 -2.290 129 HB3 LYS 16 1HB LYS 16 9.524 -17.585 -1.963 130 HG2 LYS 16 2HG LYS 16 7.419 -16.724 0.054 131 HG3 LYS 16 1HG LYS 16 7.715 -18.364 -0.542 132 HD2 LYS 16 2HD LYS 16 9.975 -18.304 0.499 133 HD3 LYS 16 1HD LYS 16 9.625 -16.661 1.113 134 HE2 LYS 16 2HE LYS 16 7.687 -17.509 2.352 135 HE3 LYS 16 1HE LYS 16 7.983 -19.142 1.730 136 HZ1 LYS 16 1HZ LYS 16 9.824 -17.606 3.446 137 HZ2 LYS 16 2HZ LYS 16 8.882 -18.868 3.930 138 HZ3 LYS 16 3HZ LYS 16 10.108 -19.111 2.859 139 H GLY 17 H GLY 17 9.022 -13.537 -2.784 140 HA2 GLY 17 2HA GLY 17 10.654 -12.332 -4.131 141 HA3 GLY 17 3HA GLY 17 11.429 -13.879 -4.528 142 H ASP 18 H ASP 18 8.109 -14.461 -4.552 143 HA ASP 18 HA ASP 18 8.009 -14.414 -7.468 144 HB2 ASP 18 2HB ASP 18 6.270 -15.411 -5.208 145 HB3 ASP 18 1HB ASP 18 5.595 -15.235 -6.817 146 H GLN 19 H GLN 19 8.183 -12.188 -7.917 147 HA GLN 19 HA GLN 19 6.488 -10.182 -6.787 148 HB2 GLN 19 2HB GLN 19 7.946 -10.310 -9.462 149 HB3 GLN 19 1HB GLN 19 7.234 -8.846 -8.758 150 HG2 GLN 19 2HG GLN 19 8.732 -9.012 -6.815 151 HG3 GLN 19 1HG GLN 19 9.428 -10.507 -7.457 152 HE21 GLN 19 1HE2 GLN 19 11.814 -7.852 -8.408 153 HE22 GLN 19 2HE2 GLN 19 11.247 -8.629 -6.941 154 H LYS 20 H LYS 20 5.847 -12.692 -9.084 155 HA LYS 20 HA LYS 20 3.813 -11.351 -10.602 156 HB2 LYS 20 2HB LYS 20 3.242 -13.628 -11.358 157 HB3 LYS 20 1HB LYS 20 4.974 -13.305 -11.415 158 HG2 LYS 20 2HG LYS 20 5.014 -15.397 -10.527 159 HG3 LYS 20 1HG LYS 20 4.994 -14.456 -9.027 160 HD2 LYS 20 2HD LYS 20 2.483 -14.770 -8.943 161 HD3 LYS 20 1HD LYS 20 2.602 -15.788 -10.390 162 HE2 LYS 20 2HE LYS 20 3.966 -16.300 -7.715 163 HE3 LYS 20 1HE LYS 20 2.530 -17.136 -8.325 164 HZ1 LYS 20 1HZ LYS 20 4.480 -18.430 -8.718 165 HZ2 LYS 20 2HZ LYS 20 3.885 -17.927 -10.166 166 HZ3 LYS 20 3HZ LYS 20 5.217 -17.202 -9.515 167 H ALA 21 H ALA 21 3.859 -12.852 -7.417 168 HA ALA 21 HA ALA 21 0.961 -13.068 -7.251 169 HB1 ALA 21 1HB ALA 21 3.117 -13.135 -5.102 170 HB2 ALA 21 2HB ALA 21 1.422 -13.630 -4.907 171 HB3 ALA 21 3HB ALA 21 2.493 -14.550 -5.986 172 H PHE 22 H PHE 22 3.478 -10.696 -6.318 173 HA PHE 22 HA PHE 22 1.709 -8.907 -4.951 174 HB2 PHE 22 2HB PHE 22 4.139 -8.889 -4.755 175 HB3 PHE 22 1HB PHE 22 4.301 -8.391 -6.442 176 HD1 PHE 22 1HD PHE 22 4.567 -6.096 -6.873 177 HD2 PHE 22 2HD PHE 22 2.550 -7.344 -3.282 178 HE1 PHE 22 1HE PHE 22 4.402 -3.731 -6.139 179 HE2 PHE 22 2HE PHE 22 2.412 -4.977 -2.541 180 HZ PHE 22 HZ PHE 22 3.328 -3.175 -3.980 181 H ASN 23 H ASN 23 2.570 -9.387 -8.407 182 HA ASN 23 HA ASN 23 1.502 -6.932 -9.380 183 HB2 ASN 23 2HB ASN 23 2.971 -8.508 -10.653 184 HB3 ASN 23 1HB ASN 23 1.639 -9.665 -10.724 185 HD21 ASN 23 1HD2 ASN 23 -0.046 -8.053 -13.384 186 HD22 ASN 23 2HD2 ASN 23 -0.040 -9.361 -12.218 187 H LEU 24 H LEU 24 0.017 -10.121 -8.741 188 HA LEU 24 HA LEU 24 -2.544 -9.341 -9.869 189 HB2 LEU 24 2HB LEU 24 -1.730 -11.667 -8.079 190 HB3 LEU 24 1HB LEU 24 -3.255 -11.545 -8.972 191 HG LEU 24 HG LEU 24 -0.496 -11.535 -10.285 192 HD11 LEU 24 1HD1 LEU 24 -0.995 -13.859 -10.895 193 HD12 LEU 24 2HD1 LEU 24 -0.914 -13.647 -9.132 194 HD13 LEU 24 3HD1 LEU 24 -2.503 -13.788 -9.934 195 HD21 LEU 24 1HD2 LEU 24 -2.206 -10.451 -11.653 196 HD22 LEU 24 2HD2 LEU 24 -1.763 -12.024 -12.339 197 HD23 LEU 24 3HD2 LEU 24 -3.291 -11.853 -11.444 198 H LEU 25 H LEU 25 -0.952 -9.069 -6.777 199 HA LEU 25 HA LEU 25 -3.420 -8.642 -5.267 200 HB2 LEU 25 2HB LEU 25 -1.373 -9.765 -4.372 201 HB3 LEU 25 1HB LEU 25 -0.485 -8.258 -4.563 202 HG LEU 25 HG LEU 25 -1.982 -7.158 -2.918 203 HD11 LEU 25 1HD1 LEU 25 -3.538 -8.571 -1.579 204 HD12 LEU 25 2HD1 LEU 25 -4.051 -8.473 -3.273 205 HD13 LEU 25 3HD1 LEU 25 -3.227 -9.936 -2.676 206 HD21 LEU 25 1HD2 LEU 25 -0.849 -9.830 -1.999 207 HD22 LEU 25 2HD2 LEU 25 0.085 -8.329 -2.204 208 HD23 LEU 25 3HD2 LEU 25 -1.183 -8.419 -0.961 209 H VAL 26 H VAL 26 -0.972 -6.686 -6.934 210 HA VAL 26 HA VAL 26 -1.668 -4.185 -5.663 211 HB VAL 26 HB VAL 26 -0.126 -4.972 -8.146 212 HG11 VAL 26 1HG1 VAL 26 -0.743 -2.149 -7.170 213 HG12 VAL 26 2HG1 VAL 26 0.482 -2.571 -8.387 214 HG13 VAL 26 3HG1 VAL 26 -1.235 -2.851 -8.729 215 HG21 VAL 26 1HG2 VAL 26 0.893 -5.201 -5.857 216 HG22 VAL 26 2HG2 VAL 26 1.730 -4.011 -6.885 217 HG23 VAL 26 3HG2 VAL 26 0.624 -3.470 -5.601 218 H VAL 27 H VAL 27 -2.497 -5.613 -8.894 219 HA VAL 27 HA VAL 27 -4.064 -3.374 -9.673 220 HB VAL 27 HB VAL 27 -3.117 -5.107 -11.180 221 HG11 VAL 27 1HG1 VAL 27 -5.461 -6.806 -10.227 222 HG12 VAL 27 2HG1 VAL 27 -4.314 -7.214 -11.517 223 HG13 VAL 27 3HG1 VAL 27 -3.752 -7.105 -9.832 224 HG21 VAL 27 1HG2 VAL 27 -4.896 -3.577 -11.957 225 HG22 VAL 27 2HG2 VAL 27 -4.987 -5.167 -12.746 226 HG23 VAL 27 3HG2 VAL 27 -6.130 -4.756 -11.449 227 H ARG 28 H ARG 28 -4.831 -6.106 -7.613 228 HA ARG 28 HA ARG 28 -7.703 -5.928 -7.781 229 HB2 ARG 28 2HB ARG 28 -6.599 -7.950 -7.048 230 HB3 ARG 28 1HB ARG 28 -5.750 -7.086 -5.756 231 HG2 ARG 28 2HG ARG 28 -7.778 -6.694 -4.543 232 HG3 ARG 28 1HG ARG 28 -8.779 -7.289 -5.874 233 HD2 ARG 28 2HD ARG 28 -6.722 -8.977 -4.376 234 HD3 ARG 28 1HD ARG 28 -8.453 -8.931 -3.992 235 HE ARG 28 HE ARG 28 -8.335 -9.518 -6.710 236 HH11 ARG 28 1HH1 ARG 28 -7.062 -11.004 -3.761 237 HH12 ARG 28 2HH1 ARG 28 -7.166 -12.628 -4.404 238 HH21 ARG 28 1HH2 ARG 28 -8.466 -11.639 -7.508 239 HH22 ARG 28 2HH2 ARG 28 -7.975 -12.986 -6.518 240 H TYR 29 H TYR 29 -5.260 -4.653 -5.491 241 HA TYR 29 HA TYR 29 -7.340 -3.113 -4.106 242 HB2 TYR 29 2HB TYR 29 -4.437 -3.726 -3.576 243 HB3 TYR 29 1HB TYR 29 -5.288 -2.456 -2.699 244 HD1 TYR 29 1HD TYR 29 -5.532 -6.103 -3.564 245 HD2 TYR 29 2HD TYR 29 -6.669 -2.943 -0.872 246 HE1 TYR 29 1HE TYR 29 -6.572 -7.766 -2.068 247 HE2 TYR 29 2HE TYR 29 -7.754 -4.602 0.617 248 HH TYR 29 HH TYR 29 -7.768 -8.103 -0.113 249 H GLN 30 H GLN 30 -5.324 -2.610 -6.787 250 HA GLN 30 HA GLN 30 -4.470 0.057 -6.436 251 HB2 GLN 30 2HB GLN 30 -3.674 -1.399 -8.203 252 HB3 GLN 30 1HB GLN 30 -5.302 -1.544 -8.889 253 HG2 GLN 30 2HG GLN 30 -5.282 0.765 -9.574 254 HG3 GLN 30 1HG GLN 30 -3.740 1.058 -8.719 255 HE21 GLN 30 1HE2 GLN 30 -3.745 -1.205 -12.216 256 HE22 GLN 30 2HE2 GLN 30 -5.185 -1.121 -11.218 257 H HIS 31 H HIS 31 -7.695 -1.244 -7.141 258 HA HIS 31 HA HIS 31 -8.719 1.438 -7.772 259 HB2 HIS 31 2HB HIS 31 -9.570 -0.552 -8.928 260 HB3 HIS 31 1HB HIS 31 -10.107 -1.230 -7.382 261 HD2 HIS 31 2HD HIS 31 -10.709 2.126 -9.341 262 HE1 HIS 31 1HE HIS 31 -14.416 0.927 -7.632 263 HE2 HIS 31 2HE HIS 31 -13.255 2.686 -9.063 264 H LYS 32 H LYS 32 -8.652 -0.798 -4.953 265 HA LYS 32 HA LYS 32 -10.500 0.812 -3.398 266 HB2 LYS 32 2HB LYS 32 -8.522 -1.415 -2.786 267 HB3 LYS 32 1HB LYS 32 -9.335 -0.522 -1.502 268 HG2 LYS 32 2HG LYS 32 -10.554 -2.490 -1.818 269 HG3 LYS 32 1HG LYS 32 -11.542 -1.163 -2.438 270 HD2 LYS 32 2HD LYS 32 -9.828 -2.725 -4.371 271 HD3 LYS 32 1HD LYS 32 -11.301 -3.468 -3.726 272 HE2 LYS 32 2HE LYS 32 -12.596 -1.444 -4.420 273 HE3 LYS 32 1HE LYS 32 -11.145 -0.831 -5.228 274 HZ1 LYS 32 1HZ LYS 32 -11.150 -2.868 -6.551 275 HZ2 LYS 32 2HZ LYS 32 -12.551 -3.352 -5.831 276 HZ3 LYS 32 3HZ LYS 32 -12.531 -2.000 -6.762 277 H VAL 33 H VAL 33 -6.934 0.531 -3.591 278 HA VAL 33 HA VAL 33 -6.401 2.274 -1.391 279 HB VAL 33 HB VAL 33 -4.915 0.486 -2.443 280 HG11 VAL 33 1HG1 VAL 33 -3.450 1.156 -4.261 281 HG12 VAL 33 2HG1 VAL 33 -5.141 1.322 -4.810 282 HG13 VAL 33 3HG1 VAL 33 -4.202 2.759 -4.342 283 HG21 VAL 33 1HG2 VAL 33 -3.675 3.228 -2.052 284 HG22 VAL 33 2HG2 VAL 33 -4.078 2.077 -0.748 285 HG23 VAL 33 3HG2 VAL 33 -2.836 1.671 -1.953 286 H ALA 34 H ALA 34 -7.021 2.771 -4.829 287 HA ALA 34 HA ALA 34 -6.081 5.512 -4.873 288 HB1 ALA 34 1HB ALA 34 -7.915 3.964 -6.753 289 HB2 ALA 34 2HB ALA 34 -7.159 5.535 -7.100 290 HB3 ALA 34 3HB ALA 34 -6.148 4.085 -6.891 291 H SER 35 H SER 35 -9.106 3.881 -4.003 292 HA SER 35 HA SER 35 -10.757 6.248 -4.227 293 HB2 SER 35 2HB SER 35 -11.640 3.930 -4.260 294 HB3 SER 35 1HB SER 35 -11.117 3.722 -2.573 295 HG SER 35 HG SER 35 -13.328 4.356 -2.764 296 H LEU 36 H LEU 36 -8.551 4.924 -1.806 297 HA LEU 36 HA LEU 36 -9.553 6.539 0.373 298 HB2 LEU 36 2HB LEU 36 -8.201 4.396 0.572 299 HB3 LEU 36 1HB LEU 36 -6.791 5.308 0.016 300 HG LEU 36 HG LEU 36 -7.116 6.905 1.945 301 HD11 LEU 36 1HD1 LEU 36 -9.123 4.770 2.798 302 HD12 LEU 36 2HD1 LEU 36 -8.483 6.048 3.858 303 HD13 LEU 36 3HD1 LEU 36 -9.480 6.481 2.460 304 HD21 LEU 36 1HD2 LEU 36 -5.460 5.132 2.000 305 HD22 LEU 36 2HD2 LEU 36 -6.206 5.292 3.602 306 HD23 LEU 36 3HD2 LEU 36 -6.690 3.955 2.527 307 H VAL 37 H VAL 37 -6.786 6.822 -1.915 308 HA VAL 37 HA VAL 37 -5.950 9.280 -0.597 309 HB VAL 37 HB VAL 37 -4.294 7.684 -1.248 310 HG11 VAL 37 1HG1 VAL 37 -3.752 7.235 -3.601 311 HG12 VAL 37 2HG1 VAL 37 -5.367 6.629 -3.176 312 HG13 VAL 37 3HG1 VAL 37 -5.211 8.132 -4.107 313 HG21 VAL 37 1HG2 VAL 37 -3.852 10.193 -1.401 314 HG22 VAL 37 2HG2 VAL 37 -2.747 9.134 -2.315 315 HG23 VAL 37 3HG2 VAL 37 -4.033 10.028 -3.163 316 H SER 38 H SER 38 -7.958 8.523 -3.374 317 HA SER 38 HA SER 38 -7.613 10.975 -4.797 318 HB2 SER 38 2HB SER 38 -9.803 10.490 -5.764 319 HB3 SER 38 1HB SER 38 -8.826 9.005 -5.691 320 HG SER 38 HG SER 38 -10.974 8.705 -4.927 321 H ARG 39 H ARG 39 -8.996 10.295 -1.692 322 HA ARG 39 HA ARG 39 -10.785 12.558 -1.541 323 HB2 ARG 39 2HB ARG 39 -9.463 10.946 0.673 324 HB3 ARG 39 1HB ARG 39 -10.935 11.923 0.796 325 HG2 ARG 39 2HG ARG 39 -12.090 10.382 -0.772 326 HG3 ARG 39 1HG ARG 39 -10.597 9.437 -0.939 327 HD2 ARG 39 2HD ARG 39 -10.644 9.076 1.568 328 HD3 ARG 39 1HD ARG 39 -12.274 9.787 1.564 329 HE ARG 39 HE ARG 39 -12.207 7.761 -0.408 330 HH11 ARG 39 1HH1 ARG 39 -11.957 8.022 3.106 331 HH12 ARG 39 2HH1 ARG 39 -12.554 6.402 3.386 332 HH21 ARG 39 1HH2 ARG 39 -13.000 5.671 -0.019 333 HH22 ARG 39 2HH2 ARG 39 -13.163 5.082 1.620 334 H TYR 40 H TYR 40 -7.359 12.271 -1.486 335 HA TYR 40 HA TYR 40 -7.118 14.775 0.127 336 HB2 TYR 40 2HB TYR 40 -5.189 12.448 -0.026 337 HB3 TYR 40 1HB TYR 40 -4.988 13.917 0.931 338 HD1 TYR 40 1HD TYR 40 -7.196 14.444 2.464 339 HD2 TYR 40 2HD TYR 40 -5.887 10.570 1.143 340 HE1 TYR 40 1HE TYR 40 -8.426 13.396 4.348 341 HE2 TYR 40 2HE TYR 40 -7.133 9.507 3.015 342 HH TYR 40 HH TYR 40 -8.999 11.435 5.387 343 H VAL 41 H VAL 41 -6.246 13.124 -2.872 344 HA VAL 41 HA VAL 41 -4.808 15.619 -3.649 345 HB VAL 41 HB VAL 41 -3.202 14.445 -4.908 346 HG11 VAL 41 1HG1 VAL 41 -3.432 13.095 -2.180 347 HG12 VAL 41 2HG1 VAL 41 -1.962 13.264 -3.156 348 HG13 VAL 41 3HG1 VAL 41 -2.747 14.711 -2.478 349 HG21 VAL 41 1HG2 VAL 41 -4.632 11.891 -4.104 350 HG22 VAL 41 2HG2 VAL 41 -4.479 12.579 -5.744 351 HG23 VAL 41 3HG2 VAL 41 -3.041 11.970 -4.903 352 HA PRO 42 HA PRO 42 -7.633 15.859 -6.965 353 HB2 PRO 42 2HB PRO 42 -5.270 16.555 -8.700 354 HB3 PRO 42 1HB PRO 42 -6.809 17.442 -8.500 355 HG2 PRO 42 2HG PRO 42 -4.558 18.333 -7.265 356 HG3 PRO 42 1HG PRO 42 -6.117 18.304 -6.371 357 HD2 PRO 42 2HD PRO 42 -3.866 16.271 -6.304 358 HD3 PRO 42 1HD PRO 42 -4.750 17.033 -4.940 359 H SER 43 H SER 43 -8.389 14.724 -8.818 360 HA SER 43 HA SER 43 -7.485 12.055 -9.089 361 HB2 SER 43 2HB SER 43 -9.221 13.731 -10.946 362 HB3 SER 43 1HB SER 43 -9.143 11.956 -10.908 363 HG SER 43 HG SER 43 -9.927 12.041 -8.769 364 H GLY 44 H GLY 44 -6.231 14.944 -10.493 365 HA2 GLY 44 2HA GLY 44 -5.200 13.693 -12.930 366 HA3 GLY 44 3HA GLY 44 -4.873 15.332 -12.321 367 H ASP 45 H ASP 45 -4.220 13.842 -9.598 368 HA ASP 45 HA ASP 45 -1.442 13.054 -10.368 369 HB2 ASP 45 2HB ASP 45 -2.401 14.640 -7.951 370 HB3 ASP 45 1HB ASP 45 -0.753 14.070 -8.198 371 H VAL 46 H VAL 46 -4.369 11.996 -9.037 372 HA VAL 46 HA VAL 46 -3.392 10.664 -6.739 373 HB VAL 46 HB VAL 46 -5.739 11.321 -7.165 374 HG11 VAL 46 1HG1 VAL 46 -5.885 8.767 -8.817 375 HG12 VAL 46 2HG1 VAL 46 -7.239 9.779 -8.281 376 HG13 VAL 46 3HG1 VAL 46 -6.062 10.426 -9.455 377 HG21 VAL 46 1HG2 VAL 46 -5.223 8.418 -6.448 378 HG22 VAL 46 2HG2 VAL 46 -5.099 9.834 -5.358 379 HG23 VAL 46 3HG2 VAL 46 -6.678 9.356 -6.031 380 HA PRO 47 HA PRO 47 -3.039 6.668 -9.319 381 HB2 PRO 47 2HB PRO 47 -2.138 6.791 -11.879 382 HB3 PRO 47 1HB PRO 47 -3.881 6.926 -11.477 383 HG2 PRO 47 2HG PRO 47 -1.900 9.191 -11.919 384 HG3 PRO 47 1HG PRO 47 -3.497 8.960 -12.722 385 HD2 PRO 47 2HD PRO 47 -3.250 10.557 -10.582 386 HD3 PRO 47 1HD PRO 47 -4.664 9.464 -10.725 387 H ASP 48 H ASP 48 -0.972 9.505 -9.564 388 HA ASP 48 HA ASP 48 1.494 7.946 -9.770 389 HB2 ASP 48 2HB ASP 48 1.232 10.211 -10.763 390 HB3 ASP 48 1HB ASP 48 1.036 10.879 -9.137 391 H VAL 49 H VAL 49 -0.507 9.408 -7.214 392 HA VAL 49 HA VAL 49 1.504 8.986 -5.147 393 HB VAL 49 HB VAL 49 -1.493 9.489 -4.925 394 HG11 VAL 49 1HG1 VAL 49 -0.539 8.548 -2.874 395 HG12 VAL 49 2HG1 VAL 49 0.761 9.781 -2.909 396 HG13 VAL 49 3HG1 VAL 49 -0.924 10.267 -2.648 397 HG21 VAL 49 1HG2 VAL 49 -0.848 11.845 -4.484 398 HG22 VAL 49 2HG2 VAL 49 0.858 11.437 -4.776 399 HG23 VAL 49 3HG2 VAL 49 -0.323 11.354 -6.097 400 H VAL 50 H VAL 50 -1.137 7.153 -6.611 401 HA VAL 50 HA VAL 50 -1.346 5.131 -4.571 402 HB VAL 50 HB VAL 50 -2.146 5.349 -7.490 403 HG11 VAL 50 1HG1 VAL 50 -1.695 2.991 -7.206 404 HG12 VAL 50 2HG1 VAL 50 -2.489 2.976 -5.616 405 HG13 VAL 50 3HG1 VAL 50 -3.450 3.223 -7.092 406 HG21 VAL 50 1HG2 VAL 50 -3.392 6.624 -5.724 407 HG22 VAL 50 2HG2 VAL 50 -4.393 5.395 -6.527 408 HG23 VAL 50 3HG2 VAL 50 -3.738 5.088 -4.899 409 H GLN 51 H GLN 51 0.611 5.464 -7.591 410 HA GLN 51 HA GLN 51 1.607 2.757 -7.413 411 HB2 GLN 51 2HB GLN 51 1.396 4.058 -9.528 412 HB3 GLN 51 1HB GLN 51 2.594 5.212 -8.930 413 HG2 GLN 51 2HG GLN 51 3.687 3.694 -10.438 414 HG3 GLN 51 1HG GLN 51 4.275 3.370 -8.807 415 HE21 GLN 51 1HE2 GLN 51 3.764 0.023 -10.159 416 HE22 GLN 51 2HE2 GLN 51 4.895 1.356 -10.224 417 H GLU 52 H GLU 52 2.711 5.950 -6.191 418 HA GLU 52 HA GLU 52 5.310 4.993 -5.432 419 HB2 GLU 52 2HB GLU 52 4.666 7.395 -5.649 420 HB3 GLU 52 1HB GLU 52 3.650 7.232 -4.203 421 HG2 GLU 52 2HG GLU 52 5.655 6.553 -2.891 422 HG3 GLU 52 1HG GLU 52 6.658 6.720 -4.337 423 H ALA 53 H ALA 53 2.086 4.887 -3.953 424 HA ALA 53 HA ALA 53 3.013 4.027 -1.357 425 HB1 ALA 53 1HB ALA 53 0.288 3.794 -2.698 426 HB2 ALA 53 2HB ALA 53 0.622 3.573 -0.965 427 HB3 ALA 53 3HB ALA 53 0.859 5.163 -1.718 428 H PHE 54 H PHE 54 2.338 2.382 -4.422 429 HA PHE 54 HA PHE 54 2.260 -0.253 -3.164 430 HB2 PHE 54 2HB PHE 54 2.157 0.849 -5.966 431 HB3 PHE 54 1HB PHE 54 2.532 -0.847 -5.738 432 HD1 PHE 54 1HD PHE 54 -0.043 1.133 -6.640 433 HD2 PHE 54 2HD PHE 54 0.849 -1.809 -3.626 434 HE1 PHE 54 1HE PHE 54 -2.447 0.590 -6.455 435 HE2 PHE 54 2HE PHE 54 -1.575 -2.336 -3.438 436 HZ PHE 54 HZ PHE 54 -3.215 -1.154 -4.859 437 H ILE 55 H ILE 55 4.759 1.740 -4.877 438 HA ILE 55 HA ILE 55 6.725 -0.357 -4.809 439 HB ILE 55 HB ILE 55 6.678 2.621 -5.188 440 HG12 ILE 55 2HG1 ILE 55 7.696 2.106 -7.272 441 HG13 ILE 55 1HG1 ILE 55 8.137 0.463 -6.750 442 HG21 ILE 55 1HG2 ILE 55 9.208 1.009 -4.686 443 HG22 ILE 55 2HG2 ILE 55 9.152 2.650 -5.372 444 HG23 ILE 55 3HG2 ILE 55 8.605 2.373 -3.709 445 HD11 ILE 55 1HD1 ILE 55 5.769 -0.199 -6.762 446 HD12 ILE 55 2HD1 ILE 55 5.307 1.454 -7.254 447 HD13 ILE 55 3HD1 ILE 55 6.272 0.435 -8.342 448 H LYS 56 H LYS 56 5.716 2.180 -2.471 449 HA LYS 56 HA LYS 56 7.715 1.550 -0.510 450 HB2 LYS 56 2HB LYS 56 4.969 2.852 -0.457 451 HB3 LYS 56 1HB LYS 56 5.951 2.648 1.011 452 HG2 LYS 56 2HG LYS 56 7.748 3.935 0.103 453 HG3 LYS 56 1HG LYS 56 7.001 4.005 -1.503 454 HD2 LYS 56 2HD LYS 56 5.241 5.425 -0.758 455 HD3 LYS 56 1HD LYS 56 5.617 5.133 0.955 456 HE2 LYS 56 2HE LYS 56 7.720 6.290 0.776 457 HE3 LYS 56 1HE LYS 56 7.539 6.470 -0.983 458 HZ1 LYS 56 1HZ LYS 56 5.703 7.645 0.985 459 HZ2 LYS 56 2HZ LYS 56 6.952 8.461 0.277 460 HZ3 LYS 56 3HZ LYS 56 5.712 7.906 -0.642 461 H ALA 57 H ALA 57 4.533 0.157 -1.331 462 HA ALA 57 HA ALA 57 4.394 -1.445 1.066 463 HB1 ALA 57 1HB ALA 57 2.537 -2.562 -0.115 464 HB2 ALA 57 2HB ALA 57 2.394 -0.793 -0.213 465 HB3 ALA 57 3HB ALA 57 2.980 -1.722 -1.616 466 H TYR 58 H TYR 58 5.906 -1.856 -2.140 467 HA TYR 58 HA TYR 58 6.262 -4.724 -1.809 468 HB2 TYR 58 2HB TYR 58 6.199 -3.786 -4.028 469 HB3 TYR 58 1HB TYR 58 7.498 -2.652 -3.646 470 HD1 TYR 58 1HD TYR 58 9.760 -3.239 -3.928 471 HD2 TYR 58 2HD TYR 58 6.727 -6.289 -4.033 472 HE1 TYR 58 1HE TYR 58 11.461 -4.903 -4.654 473 HE2 TYR 58 2HE TYR 58 8.418 -7.955 -4.754 474 HH TYR 58 HH TYR 58 11.868 -7.082 -5.187 475 H ARG 59 H ARG 59 8.359 -1.826 -1.427 476 HA ARG 59 HA ARG 59 10.688 -3.327 -0.662 477 HB2 ARG 59 2HB ARG 59 9.924 -0.422 -0.252 478 HB3 ARG 59 1HB ARG 59 11.548 -1.084 0.022 479 HG2 ARG 59 2HG ARG 59 10.051 -1.091 -2.637 480 HG3 ARG 59 1HG ARG 59 11.333 0.038 -2.186 481 HD2 ARG 59 2HD ARG 59 11.618 -2.982 -2.411 482 HD3 ARG 59 1HD ARG 59 12.160 -1.804 -3.615 483 HE ARG 59 HE ARG 59 13.436 -2.449 -1.049 484 HH11 ARG 59 1HH1 ARG 59 13.246 -0.159 -3.738 485 HH12 ARG 59 2HH1 ARG 59 14.820 0.533 -3.401 486 HH21 ARG 59 1HH2 ARG 59 15.487 -1.532 -0.658 487 HH22 ARG 59 2HH2 ARG 59 16.084 -0.249 -1.685 488 H ALA 60 H ALA 60 7.807 -2.508 1.035 489 HA ALA 60 HA ALA 60 9.150 -3.159 3.614 490 HB1 ALA 60 1HB ALA 60 6.514 -1.729 3.096 491 HB2 ALA 60 2HB ALA 60 7.241 -2.051 4.686 492 HB3 ALA 60 3HB ALA 60 8.056 -0.955 3.547 493 H LEU 61 H LEU 61 7.388 -4.661 1.162 494 HA LEU 61 HA LEU 61 5.489 -6.101 2.771 495 HB2 LEU 61 2HB LEU 61 6.245 -5.917 -0.017 496 HB3 LEU 61 1HB LEU 61 6.233 -7.615 0.451 497 HG LEU 61 HG LEU 61 3.930 -5.670 0.926 498 HD11 LEU 61 1HD1 LEU 61 4.310 -7.926 -1.075 499 HD12 LEU 61 2HD1 LEU 61 2.822 -6.974 -0.854 500 HD13 LEU 61 3HD1 LEU 61 4.306 -6.187 -1.452 501 HD21 LEU 61 1HD2 LEU 61 3.967 -7.458 2.603 502 HD22 LEU 61 2HD2 LEU 61 2.674 -7.758 1.426 503 HD23 LEU 61 3HD2 LEU 61 4.200 -8.674 1.318 504 H ASP 62 H ASP 62 8.899 -6.578 1.953 505 HA ASP 62 HA ASP 62 8.987 -9.264 3.047 506 HB2 ASP 62 2HB ASP 62 10.567 -8.387 1.327 507 HB3 ASP 62 1HB ASP 62 11.208 -7.246 2.515 508 H SER 63 H SER 63 8.440 -6.316 4.495 509 HA SER 63 HA SER 63 9.597 -7.237 7.083 510 HB2 SER 63 2HB SER 63 10.560 -5.118 6.165 511 HB3 SER 63 1HB SER 63 8.932 -4.405 6.211 512 HG SER 63 HG SER 63 10.160 -3.940 8.097 513 H PHE 64 H PHE 64 6.769 -6.805 5.243 514 HA PHE 64 HA PHE 64 4.897 -6.134 7.313 515 HB2 PHE 64 2HB PHE 64 4.372 -5.862 4.938 516 HB3 PHE 64 1HB PHE 64 4.668 -7.570 4.652 517 HD1 PHE 64 1HD PHE 64 2.847 -9.011 4.545 518 HD2 PHE 64 2HD PHE 64 2.509 -5.369 6.792 519 HE1 PHE 64 1HE PHE 64 0.454 -9.507 4.990 520 HE2 PHE 64 2HE PHE 64 0.114 -5.864 7.237 521 HZ PHE 64 HZ PHE 64 -0.905 -7.946 6.348 522 H ASP 65 H ASP 65 3.756 -7.427 8.705 523 HA ASP 65 HA ASP 65 4.587 -10.251 8.933 524 HB2 ASP 65 2HB ASP 65 4.572 -8.837 10.956 525 HB3 ASP 65 1HB ASP 65 2.859 -8.483 10.700 526 H ILE 66 H ILE 66 3.482 -11.696 7.775 527 HA ILE 66 HA ILE 66 1.109 -11.085 6.368 528 HB ILE 66 HB ILE 66 2.650 -12.767 5.585 529 HG12 ILE 66 2HG1 ILE 66 1.162 -14.726 5.246 530 HG13 ILE 66 1HG1 ILE 66 0.062 -14.114 6.478 531 HG21 ILE 66 1HG2 ILE 66 3.015 -14.889 6.766 532 HG22 ILE 66 2HG2 ILE 66 3.572 -13.510 7.721 533 HG23 ILE 66 3HG2 ILE 66 2.026 -14.301 8.133 534 HD11 ILE 66 1HD1 ILE 66 -0.656 -13.496 4.163 535 HD12 ILE 66 2HD1 ILE 66 -0.292 -12.049 5.131 536 HD13 ILE 66 3HD1 ILE 66 0.889 -12.639 3.937 537 H ASN 67 H ASN 67 1.582 -12.085 9.667 538 HA ASN 67 HA ASN 67 -1.012 -13.372 9.901 539 HB2 ASN 67 2HB ASN 67 1.000 -12.547 12.026 540 HB3 ASN 67 1HB ASN 67 -0.407 -13.622 12.236 541 HD21 ASN 67 1HD2 ASN 67 2.983 -15.017 10.384 542 HD22 ASN 67 2HD2 ASN 67 2.800 -13.311 10.759 543 H ARG 68 H ARG 68 -0.208 -10.239 9.499 544 HA ARG 68 HA ARG 68 -2.455 -9.184 11.165 545 HB2 ARG 68 2HB ARG 68 0.041 -7.887 10.043 546 HB3 ARG 68 1HB ARG 68 -1.302 -6.967 10.749 547 HG2 ARG 68 2HG ARG 68 -1.059 -8.270 12.866 548 HG3 ARG 68 1HG ARG 68 0.324 -9.133 12.156 549 HD2 ARG 68 2HD ARG 68 1.536 -7.000 11.908 550 HD3 ARG 68 1HD ARG 68 0.149 -6.123 12.582 551 HE ARG 68 HE ARG 68 0.871 -8.112 14.451 552 HH11 ARG 68 1HH1 ARG 68 2.258 -5.189 13.019 553 HH12 ARG 68 2HH1 ARG 68 3.241 -4.829 14.423 554 HH21 ARG 68 1HH2 ARG 68 2.163 -7.619 16.263 555 HH22 ARG 68 2HH2 ARG 68 3.178 -6.197 16.258 556 H LYS 69 H LYS 69 -3.609 -7.291 10.046 557 HA LYS 69 HA LYS 69 -4.801 -8.377 7.695 558 HB2 LYS 69 2HB LYS 69 -5.005 -5.564 8.822 559 HB3 LYS 69 1HB LYS 69 -6.112 -6.313 7.641 560 HG2 LYS 69 2HG LYS 69 -6.612 -8.088 9.367 561 HG3 LYS 69 1HG LYS 69 -5.614 -7.155 10.516 562 HD2 LYS 69 2HD LYS 69 -7.964 -6.681 10.882 563 HD3 LYS 69 1HD LYS 69 -7.131 -5.235 10.293 564 HE2 LYS 69 2HE LYS 69 -8.059 -5.548 8.067 565 HE3 LYS 69 1HE LYS 69 -8.746 -7.118 8.526 566 HZ1 LYS 69 1HZ LYS 69 -10.355 -5.282 8.590 567 HZ2 LYS 69 2HZ LYS 69 -10.185 -6.017 10.052 568 HZ3 LYS 69 3HZ LYS 69 -9.480 -4.568 9.792 569 H PHE 70 H PHE 70 -4.328 -8.182 5.606 570 HA PHE 70 HA PHE 70 -1.910 -6.847 4.753 571 HB2 PHE 70 2HB PHE 70 -2.931 -7.586 2.462 572 HB3 PHE 70 1HB PHE 70 -2.322 -8.790 3.582 573 HD1 PHE 70 1HD PHE 70 -3.680 -10.450 4.536 574 HD2 PHE 70 2HD PHE 70 -5.482 -7.243 2.305 575 HE1 PHE 70 1HE PHE 70 -5.854 -11.640 4.583 576 HE2 PHE 70 2HE PHE 70 -7.660 -8.428 2.373 577 HZ PHE 70 HZ PHE 70 -7.849 -10.618 3.509 578 H SER 71 H SER 71 -5.403 -6.077 4.538 579 HA SER 71 HA SER 71 -4.889 -3.903 2.666 580 HB2 SER 71 2HB SER 71 -7.332 -3.538 2.886 581 HB3 SER 71 1HB SER 71 -6.893 -5.217 2.483 582 HG SER 71 HG SER 71 -8.455 -5.082 4.177 583 H THR 72 H THR 72 -5.600 -4.208 6.165 584 HA THR 72 HA THR 72 -6.021 -1.469 6.736 585 HB THR 72 HB THR 72 -4.704 -3.657 8.374 586 HG1 THR 72 1HG THR 72 -6.912 -3.841 9.145 587 HG21 THR 72 1HG2 THR 72 -6.173 -1.164 9.299 588 HG22 THR 72 2HG2 THR 72 -5.566 -2.480 10.336 589 HG23 THR 72 3HG2 THR 72 -4.416 -1.461 9.444 590 H TRP 73 H TRP 73 -3.038 -3.381 6.380 591 HA TRP 73 HA TRP 73 -1.279 -1.193 7.206 592 HB2 TRP 73 2HB TRP 73 -0.672 -3.414 7.768 593 HB3 TRP 73 1HB TRP 73 -0.957 -3.979 6.126 594 HD1 TRP 73 HD TRP 73 1.672 -2.163 8.223 595 HE1 TRP 73 1HE TRP 73 3.919 -2.306 7.031 596 HE3 TRP 73 3HE TRP 73 0.054 -3.957 3.733 597 HZ2 TRP 73 2HZ TRP 73 4.914 -3.212 4.444 598 HZ3 TRP 73 3HZ TRP 73 1.657 -4.407 1.906 599 HH2 TRP 73 HH TRP 73 4.089 -4.047 2.263 600 H LEU 74 H LEU 74 -2.672 -2.451 4.190 601 HA LEU 74 HA LEU 74 -0.799 -1.070 2.454 602 HB2 LEU 74 2HB LEU 74 -2.038 -3.046 1.683 603 HB3 LEU 74 1HB LEU 74 -3.574 -2.240 2.014 604 HG LEU 74 HG LEU 74 -3.173 -0.593 0.269 605 HD11 LEU 74 1HD1 LEU 74 -0.547 -2.055 -0.239 606 HD12 LEU 74 2HD1 LEU 74 -1.252 -0.795 -1.273 607 HD13 LEU 74 3HD1 LEU 74 -0.720 -0.385 0.364 608 HD21 LEU 74 1HD2 LEU 74 -4.217 -2.742 -0.316 609 HD22 LEU 74 2HD2 LEU 74 -3.257 -2.101 -1.671 610 HD23 LEU 74 3HD2 LEU 74 -2.616 -3.429 -0.674 611 H TYR 75 H TYR 75 -4.041 -0.364 3.817 612 HA TYR 75 HA TYR 75 -4.391 2.060 2.297 613 HB2 TYR 75 2HB TYR 75 -5.672 1.043 4.862 614 HB3 TYR 75 1HB TYR 75 -6.246 2.428 3.940 615 HD1 TYR 75 1HD TYR 75 -7.472 -0.437 4.728 616 HD2 TYR 75 2HD TYR 75 -5.911 1.315 1.120 617 HE1 TYR 75 1HE TYR 75 -8.933 -1.914 3.384 618 HE2 TYR 75 2HE TYR 75 -7.353 -0.177 -0.233 619 HH TYR 75 HH TYR 75 -9.602 -2.524 1.283 620 H ARG 76 H ARG 76 -2.875 1.280 5.408 621 HA ARG 76 HA ARG 76 -2.737 3.959 6.398 622 HB2 ARG 76 2HB ARG 76 -2.442 1.922 7.762 623 HB3 ARG 76 1HB ARG 76 -0.986 1.499 6.856 624 HG2 ARG 76 2HG ARG 76 -0.509 2.519 9.062 625 HG3 ARG 76 1HG ARG 76 0.199 3.439 7.729 626 HD2 ARG 76 2HD ARG 76 -1.417 5.157 7.901 627 HD3 ARG 76 1HD ARG 76 -2.519 4.149 8.866 628 HE ARG 76 HE ARG 76 -0.307 4.257 10.453 629 HH11 ARG 76 1HH1 ARG 76 -2.198 6.790 8.863 630 HH12 ARG 76 2HH1 ARG 76 -1.895 7.959 10.128 631 HH21 ARG 76 1HH2 ARG 76 0.074 5.782 12.056 632 HH22 ARG 76 2HH2 ARG 76 -0.596 7.394 11.933 633 H ILE 77 H ILE 77 -0.806 2.118 4.079 634 HA ILE 77 HA ILE 77 1.423 4.006 4.131 635 HB ILE 77 HB ILE 77 0.659 1.615 2.421 636 HG12 ILE 77 2HG1 ILE 77 2.803 2.167 4.512 637 HG13 ILE 77 1HG1 ILE 77 1.337 1.221 4.761 638 HG21 ILE 77 1HG2 ILE 77 3.175 3.325 2.225 639 HG22 ILE 77 2HG2 ILE 77 2.882 1.782 1.377 640 HG23 ILE 77 3HG2 ILE 77 1.891 3.184 0.993 641 HD11 ILE 77 1HD1 ILE 77 3.626 0.489 2.882 642 HD12 ILE 77 2HD1 ILE 77 3.195 -0.304 4.408 643 HD13 ILE 77 3HD1 ILE 77 2.092 -0.402 3.017 644 H ALA 78 H ALA 78 -1.541 3.512 2.214 645 HA ALA 78 HA ALA 78 -0.655 5.235 0.063 646 HB1 ALA 78 1HB ALA 78 -3.417 4.242 0.862 647 HB2 ALA 78 2HB ALA 78 -2.989 4.987 -0.697 648 HB3 ALA 78 3HB ALA 78 -2.272 3.423 -0.232 649 H VAL 79 H VAL 79 -2.491 5.730 3.094 650 HA VAL 79 HA VAL 79 -3.182 8.455 2.282 651 HB VAL 79 HB VAL 79 -4.694 7.110 3.658 652 HG11 VAL 79 1HG1 VAL 79 -2.626 7.426 5.865 653 HG12 VAL 79 2HG1 VAL 79 -4.233 6.662 5.992 654 HG13 VAL 79 3HG1 VAL 79 -2.972 5.911 4.990 655 HG21 VAL 79 1HG2 VAL 79 -4.712 9.597 3.753 656 HG22 VAL 79 2HG2 VAL 79 -5.257 8.846 5.269 657 HG23 VAL 79 3HG2 VAL 79 -3.620 9.530 5.160 658 H ASN 80 H ASN 80 -0.608 6.865 4.168 659 HA ASN 80 HA ASN 80 0.395 9.420 5.154 660 HB2 ASN 80 2HB ASN 80 1.572 6.609 5.041 661 HB3 ASN 80 1HB ASN 80 2.418 7.991 5.732 662 HD21 ASN 80 1HD2 ASN 80 0.880 6.384 8.631 663 HD22 ASN 80 2HD2 ASN 80 2.186 6.117 7.486 664 H THR 81 H THR 81 0.938 7.382 2.280 665 HA THR 81 HA THR 81 3.186 8.930 1.323 666 HB THR 81 HB THR 81 1.173 7.084 -0.031 667 HG1 THR 81 1HG THR 81 2.570 6.038 1.325 668 HG21 THR 81 1HG2 THR 81 2.836 7.010 -1.903 669 HG22 THR 81 2HG2 THR 81 2.013 8.572 -1.761 670 HG23 THR 81 3HG2 THR 81 3.680 8.391 -1.159 671 H ALA 82 H ALA 82 -0.314 9.303 1.355 672 HA ALA 82 HA ALA 82 -0.413 11.315 -0.717 673 HB1 ALA 82 1HB ALA 82 -2.348 10.773 1.567 674 HB2 ALA 82 2HB ALA 82 -2.698 11.620 0.050 675 HB3 ALA 82 3HB ALA 82 -2.321 9.873 0.032 676 H LYS 83 H LYS 83 -0.152 11.362 2.896 677 HA LYS 83 HA LYS 83 -0.481 14.208 3.080 678 HB2 LYS 83 2HB LYS 83 1.047 12.373 4.976 679 HB3 LYS 83 1HB LYS 83 0.400 13.986 5.306 680 HG2 LYS 83 2HG LYS 83 -0.966 11.349 5.262 681 HG3 LYS 83 1HG LYS 83 -1.148 12.710 6.359 682 HD2 LYS 83 2HD LYS 83 -2.328 13.940 4.417 683 HD3 LYS 83 1HD LYS 83 -2.369 12.336 3.615 684 HE2 LYS 83 2HE LYS 83 -3.489 11.384 5.585 685 HE3 LYS 83 1HE LYS 83 -3.490 12.973 6.373 686 HZ1 LYS 83 1HZ LYS 83 -4.855 12.325 3.841 687 HZ2 LYS 83 2HZ LYS 83 -5.581 12.507 5.303 688 HZ3 LYS 83 3HZ LYS 83 -4.862 13.795 4.585 689 H ASN 84 H ASN 84 2.319 12.094 2.480 690 HA ASN 84 HA ASN 84 4.246 14.223 2.913 691 HB2 ASN 84 2HB ASN 84 4.458 11.498 1.568 692 HB3 ASN 84 1HB ASN 84 5.824 12.572 1.905 693 HD21 ASN 84 1HD2 ASN 84 5.777 10.140 4.676 694 HD22 ASN 84 2HD2 ASN 84 6.101 10.156 2.958 695 H TYR 85 H TYR 85 2.325 13.061 0.160 696 HA TYR 85 HA TYR 85 3.899 14.504 -1.814 697 HB2 TYR 85 2HB TYR 85 2.521 12.610 -2.451 698 HB3 TYR 85 1HB TYR 85 1.076 13.395 -1.810 699 HD1 TYR 85 1HD TYR 85 -0.235 14.791 -3.180 700 HD2 TYR 85 2HD TYR 85 3.767 13.797 -4.397 701 HE1 TYR 85 1HE TYR 85 -0.637 15.882 -5.375 702 HE2 TYR 85 2HE TYR 85 3.369 14.871 -6.594 703 HH TYR 85 HH TYR 85 0.263 16.463 -7.405 704 H LEU 86 H LEU 86 1.097 15.206 0.276 705 HA LEU 86 HA LEU 86 0.464 17.737 -0.945 706 HB2 LEU 86 2HB LEU 86 -0.023 16.550 1.801 707 HB3 LEU 86 1HB LEU 86 -0.667 18.120 1.321 708 HG LEU 86 HG LEU 86 -1.267 15.456 -0.056 709 HD11 LEU 86 1HD1 LEU 86 -2.313 15.693 2.168 710 HD12 LEU 86 2HD1 LEU 86 -2.983 17.273 1.688 711 HD13 LEU 86 3HD1 LEU 86 -3.528 15.795 0.872 712 HD21 LEU 86 1HD2 LEU 86 -2.993 16.757 -1.280 713 HD22 LEU 86 2HD2 LEU 86 -2.345 18.257 -0.567 714 HD23 LEU 86 3HD2 LEU 86 -1.355 17.283 -1.687 715 H VAL 87 H VAL 87 2.908 16.718 1.391 716 HA VAL 87 HA VAL 87 3.616 19.456 2.134 717 HB VAL 87 HB VAL 87 4.989 16.762 2.469 718 HG11 VAL 87 1HG1 VAL 87 5.771 19.493 3.585 719 HG12 VAL 87 2HG1 VAL 87 6.472 17.936 4.080 720 HG13 VAL 87 3HG1 VAL 87 6.707 18.526 2.421 721 HG21 VAL 87 1HG2 VAL 87 3.628 18.614 4.469 722 HG22 VAL 87 2HG2 VAL 87 2.871 17.174 3.760 723 HG23 VAL 87 3HG2 VAL 87 4.301 17.001 4.803 724 H ALA 88 H ALA 88 4.528 17.068 -0.343 725 HA ALA 88 HA ALA 88 6.874 18.482 -1.215 726 HB1 ALA 88 1HB ALA 88 5.151 16.415 -2.638 727 HB2 ALA 88 2HB ALA 88 6.799 16.904 -3.092 728 HB3 ALA 88 3HB ALA 88 6.520 16.065 -1.554 729 H GLN 89 H GLN 89 3.472 19.051 -1.699 730 HA GLN 89 HA GLN 89 4.221 20.958 -3.868 731 HB2 GLN 89 2HB GLN 89 1.408 20.003 -3.312 732 HB3 GLN 89 1HB GLN 89 2.037 20.866 -4.728 733 HG2 GLN 89 2HG GLN 89 2.642 17.989 -3.913 734 HG3 GLN 89 1HG GLN 89 1.614 18.500 -5.249 735 HE21 GLN 89 1HE2 GLN 89 5.054 17.488 -6.456 736 HE22 GLN 89 2HE2 GLN 89 3.862 16.735 -5.417 737 H GLY 90 H GLY 90 3.344 20.723 -0.575 738 HA2 GLY 90 2HA GLY 90 1.994 23.303 -0.401 739 HA3 GLY 90 3HA GLY 90 2.575 22.290 0.936 740 H ARG 91 H ARG 91 5.264 22.154 -0.608 741 HA ARG 91 HA ARG 91 6.388 24.621 0.537 742 HB2 ARG 91 2HB ARG 91 7.648 22.049 -0.474 743 HB3 ARG 91 1HB ARG 91 8.569 23.440 0.141 744 HG2 ARG 91 2HG ARG 91 7.408 23.297 2.304 745 HG3 ARG 91 1HG ARG 91 6.437 21.933 1.715 746 HD2 ARG 91 2HD ARG 91 8.482 20.594 1.406 747 HD3 ARG 91 1HD ARG 91 9.471 21.974 1.943 748 HE ARG 91 HE ARG 91 7.602 21.474 3.980 749 HH11 ARG 91 1HH1 ARG 91 10.280 19.780 2.415 750 HH12 ARG 91 2HH1 ARG 91 10.677 18.844 3.839 751 HH21 ARG 91 1HH2 ARG 91 8.161 20.264 5.834 752 HH22 ARG 91 2HH2 ARG 91 9.483 19.121 5.764 753 H ARG 92 H ARG 92 4.923 24.190 -2.273 754 HA ARG 92 HA ARG 92 6.839 24.887 -4.266 755 HB2 ARG 92 2HB ARG 92 3.849 25.354 -3.981 756 HB3 ARG 92 1HB ARG 92 4.760 25.881 -5.401 757 HG2 ARG 92 2HG ARG 92 5.518 23.544 -5.792 758 HG3 ARG 92 1HG ARG 92 4.528 22.999 -4.423 759 HD2 ARG 92 2HD ARG 92 2.501 23.892 -5.524 760 HD3 ARG 92 1HD ARG 92 3.490 24.465 -6.884 761 HE ARG 92 HE ARG 92 3.890 21.647 -6.440 762 HH11 ARG 92 1HH1 ARG 92 1.586 23.956 -7.803 763 HH12 ARG 92 2HH1 ARG 92 0.915 22.792 -8.925 764 HH21 ARG 92 1HH2 ARG 92 3.016 20.172 -7.896 765 HH22 ARG 92 2HH2 ARG 92 1.717 20.641 -8.973 766 H LEU 93 H LEU 93 5.578 26.726 -1.629 767 HA LEU 93 HA LEU 93 6.488 29.249 -2.904 768 HB2 LEU 93 2HB LEU 93 4.990 30.384 -1.273 769 HB3 LEU 93 1HB LEU 93 4.184 29.384 -2.478 770 HG LEU 93 HG LEU 93 3.855 27.578 -0.833 771 HD11 LEU 93 1HD1 LEU 93 5.131 29.532 1.131 772 HD12 LEU 93 2HD1 LEU 93 4.204 28.085 1.590 773 HD13 LEU 93 3HD1 LEU 93 5.724 27.902 0.702 774 HD21 LEU 93 1HD2 LEU 93 2.161 29.332 -1.155 775 HD22 LEU 93 2HD2 LEU 93 2.180 28.751 0.526 776 HD23 LEU 93 3HD2 LEU 93 2.933 30.310 0.118 777 H GLU 94 H GLU 94 7.887 26.998 -1.242 778 HA GLU 94 HA GLU 94 9.150 28.823 0.745 779 HB2 GLU 94 2HB GLU 94 7.823 26.849 1.595 780 HB3 GLU 94 1HB GLU 94 9.025 25.786 0.830 781 HG2 GLU 94 2HG GLU 94 10.791 26.741 2.250 782 HG3 GLU 94 1HG GLU 94 9.639 27.907 2.926 783 H LEU 95 H LEU 95 9.575 27.641 -2.283 784 HA LEU 95 HA LEU 95 12.249 26.578 -2.194 785 HB2 LEU 95 2HB LEU 95 10.710 27.834 -4.499 786 HB3 LEU 95 1HB LEU 95 12.154 26.823 -4.636 787 HG LEU 95 HG LEU 95 9.436 25.942 -3.580 788 HD11 LEU 95 1HD1 LEU 95 10.968 25.248 -6.119 789 HD12 LEU 95 2HD1 LEU 95 9.411 24.551 -5.616 790 HD13 LEU 95 3HD1 LEU 95 9.527 26.283 -6.017 791 HD21 LEU 95 1HD2 LEU 95 11.236 24.719 -2.423 792 HD22 LEU 95 2HD2 LEU 95 10.433 23.665 -3.600 793 HD23 LEU 95 3HD2 LEU 95 12.020 24.372 -3.986 794 H5' GNG 96 H5T DG 96 11.301 2.710 5.608 795 H5'1 GNG 96 1H5* DG 96 11.758 3.117 7.829 796 H5'2 GNG 96 2H5* DG 96 11.563 1.395 7.453 797 H4' GNG 96 H4* DG 96 10.355 1.919 9.489 798 H1' GNG 96 H1* DG 96 7.304 3.456 9.069 799 H8 GNG 96 8H DG 96 8.627 4.280 5.508 800 HN21 GNG 96 1H2 DG 96 4.724 8.314 10.442 801 HN22 GNG 96 2H2 DG 96 5.282 6.796 11.114 802 H2'1 GNG 96 1H2* DG 96 8.141 2.356 6.385 803 H2'2 GNG 96 2H2* DG 96 6.824 1.825 7.473 804 H3' GNG 96 H3* DG 96 9.214 0.523 7.435 805 HN1 GNG 96 1H DG 96 5.200 8.907 8.341 806 H5' DT 97 1H5* DT 97 6.234 1.855 10.644 807 H5'' DT 97 2H5* DT 97 5.079 0.595 11.110 808 H4' DT 97 H4* DT 97 4.016 2.824 10.899 809 H3' DT 97 H3* DT 97 2.932 0.454 9.905 810 H2' DT 97 1H2* DT 97 3.631 0.783 7.681 811 H2'' DT 97 2H2* DT 97 2.011 1.556 7.618 812 H1' DT 97 H1* DT 97 2.868 3.712 8.077 813 H3 DT 97 3H DT 97 4.831 5.678 4.523 814 H71 DT 97 1H7 DT 97 6.151 0.414 4.571 815 H72 DT 97 2H7 DT 97 5.833 1.221 3.013 816 H73 DT 97 3H7 DT 97 7.319 1.585 3.905 817 H6 DT 97 6H DT 97 4.957 1.216 6.297 818 H5' DA 98 1H5* DA 98 -0.536 0.534 9.876 819 H5'' DA 98 2H5* DA 98 -1.360 1.413 11.179 820 H4' DA 98 H4* DA 98 -2.488 -0.637 11.092 821 H3' DA 98 H3* DA 98 -1.208 -0.046 13.422 822 H2' DA 98 1H2* DA 98 0.787 -1.214 13.093 823 H2'' DA 98 2H2* DA 98 -0.160 -2.553 13.804 824 H1' DA 98 H1* DA 98 -0.517 -3.562 11.754 825 H8 DA 98 8H DA 98 2.243 -0.851 11.623 826 H61 DA 98 1H6 DA 98 5.653 -5.285 8.927 827 H62 DA 98 2H6 DA 98 5.676 -3.658 9.576 828 H2 DA 98 2H DA 98 1.478 -6.773 9.300 829 H5' DA 99 1H5* DA 99 -5.008 -3.391 13.956 830 H5'' DA 99 2H5* DA 99 -4.971 -1.801 13.194 831 H4' DA 99 H4* DA 99 -6.888 -2.789 15.354 832 H3' DA 99 H3* DA 99 -6.974 -3.086 12.674 833 H2' DA 99 1H2* DA 99 -6.750 -0.993 11.801 834 H2'' DA 99 2H2* DA 99 -8.444 -0.705 12.279 835 H1' DA 99 H1* DA 99 -7.748 0.768 13.879 836 H8 DA 99 8H DA 99 -5.456 0.392 11.288 837 H61 DA 99 1H6 DA 99 -1.029 3.400 14.446 838 H62 DA 99 2H6 DA 99 -1.481 2.806 12.865 839 H2 DA 99 2H DA 99 -4.222 2.277 17.295 840 H5' DA 100 1H5* DA 100 -11.318 -1.092 13.253 841 H5'' DA 100 2H5* DA 100 -12.309 -2.330 12.446 842 H4' DA 100 H4* DA 100 -13.166 -0.359 11.538 843 H3' DA 100 H3* DA 100 -11.762 -2.001 9.781 844 H2' DA 100 1H2* DA 100 -9.787 -0.741 9.859 845 H2'' DA 100 2H2* DA 100 -10.570 0.016 8.435 846 H1' DA 100 H1* DA 100 -11.510 1.777 9.782 847 H8 DA 100 8H DA 100 -8.083 0.300 10.072 848 H61 DA 100 1H6 DA 100 -6.154 5.885 11.985 849 H62 DA 100 2H6 DA 100 -5.631 4.304 11.436 850 H2 DA 100 2H DA 100 -10.585 5.900 11.933 851 H5' DA 101 1H5* DA 101 -11.132 0.707 6.479 852 H5'' DA 101 2H5* DA 101 -11.785 1.706 7.797 853 H4' DA 101 H4* DA 101 -13.038 3.047 6.031 854 H3' DA 101 H3* DA 101 -12.509 1.127 4.220 855 HO3' DA 101 H3T DA 101 -13.452 3.133 3.634 856 H2' DA 101 1H2* DA 101 -10.191 0.916 4.486 857 H2'' DA 101 2H2* DA 101 -10.180 2.151 3.199 858 H1' DA 101 H1* DA 101 -9.547 3.811 4.657 859 H8 DA 101 8H DA 101 -9.177 0.278 6.156 860 H61 DA 101 1H6 DA 101 -4.174 2.593 8.984 861 H62 DA 101 2H6 DA 101 -5.064 1.124 8.612 862 H2 DA 101 2H DA 101 -6.328 5.955 7.061 Start of MODEL 3 1 H1 MET 1 1H MET 1 -10.366 -17.669 -14.517 2 H2 MET 1 2H MET 1 -10.918 -19.155 -14.083 3 H3 MET 1 3H MET 1 -9.311 -18.829 -14.015 4 HA MET 1 HA MET 1 -9.645 -17.208 -12.290 5 HB2 MET 1 2HB MET 1 -12.540 -18.127 -12.494 6 HB3 MET 1 1HB MET 1 -11.870 -17.171 -11.163 7 HG2 MET 1 2HG MET 1 -12.951 -15.656 -12.636 8 HG3 MET 1 1HG MET 1 -11.210 -15.406 -12.791 9 HE1 MET 1 1HE MET 1 -11.623 -13.945 -14.919 10 HE2 MET 1 2HE MET 1 -12.560 -14.474 -16.337 11 HE3 MET 1 3HE MET 1 -13.377 -14.202 -14.782 12 H SER 2 H SER 2 -9.850 -17.823 -9.978 13 HA SER 2 HA SER 2 -10.135 -20.701 -9.434 14 HB2 SER 2 2HB SER 2 -7.904 -20.856 -8.408 15 HB3 SER 2 1HB SER 2 -7.780 -20.488 -10.139 16 HG SER 2 HG SER 2 -6.423 -19.153 -8.884 17 H GLU 3 H GLU 3 -9.924 -21.134 -7.069 18 HA GLU 3 HA GLU 3 -10.526 -18.773 -5.380 19 HB2 GLU 3 2HB GLU 3 -12.399 -19.920 -4.360 20 HB3 GLU 3 1HB GLU 3 -12.677 -19.750 -6.094 21 HG2 GLU 3 2HG GLU 3 -11.633 -22.286 -4.739 22 HG3 GLU 3 1HG GLU 3 -13.323 -21.984 -5.139 23 H GLN 4 H GLN 4 -8.365 -21.069 -5.895 24 HA GLN 4 HA GLN 4 -8.227 -22.278 -3.229 25 HB2 GLN 4 2HB GLN 4 -6.364 -22.360 -5.626 26 HB3 GLN 4 1HB GLN 4 -6.188 -23.344 -4.157 27 HG2 GLN 4 2HG GLN 4 -8.418 -24.357 -4.568 28 HG3 GLN 4 1HG GLN 4 -8.576 -23.418 -6.057 29 HE21 GLN 4 1HE2 GLN 4 -7.442 -26.692 -7.224 30 HE22 GLN 4 2HE2 GLN 4 -8.886 -25.925 -6.603 31 H LEU 5 H LEU 5 -7.217 -19.336 -4.666 32 HA LEU 5 HA LEU 5 -4.961 -18.999 -2.740 33 HB2 LEU 5 2HB LEU 5 -5.599 -17.778 -5.436 34 HB3 LEU 5 1HB LEU 5 -4.426 -17.062 -4.330 35 HG LEU 5 HG LEU 5 -3.348 -18.375 -6.064 36 HD11 LEU 5 1HD1 LEU 5 -2.282 -18.214 -3.832 37 HD12 LEU 5 2HD1 LEU 5 -3.085 -19.729 -3.347 38 HD13 LEU 5 3HD1 LEU 5 -1.889 -19.733 -4.658 39 HD21 LEU 5 1HD2 LEU 5 -5.158 -20.065 -6.395 40 HD22 LEU 5 2HD2 LEU 5 -3.521 -20.748 -6.276 41 HD23 LEU 5 3HD2 LEU 5 -4.618 -20.860 -4.889 42 H THR 6 H THR 6 -4.985 -17.387 -1.304 43 HA THR 6 HA THR 6 -7.273 -15.473 -1.318 44 HB THR 6 HB THR 6 -7.525 -17.142 0.462 45 HG1 THR 6 1HG THR 6 -8.192 -15.104 0.972 46 HG21 THR 6 1HG2 THR 6 -4.781 -16.176 1.369 47 HG22 THR 6 2HG2 THR 6 -5.871 -17.214 2.320 48 HG23 THR 6 3HG2 THR 6 -5.197 -17.810 0.793 49 H ASP 7 H ASP 7 -6.653 -13.466 0.125 50 HA ASP 7 HA ASP 7 -4.404 -12.247 -1.171 51 HB2 ASP 7 2HB ASP 7 -6.022 -11.441 1.281 52 HB3 ASP 7 1HB ASP 7 -4.864 -10.394 0.455 53 H GLN 8 H GLN 8 -4.709 -14.139 1.772 54 HA GLN 8 HA GLN 8 -2.438 -13.091 3.146 55 HB2 GLN 8 2HB GLN 8 -4.313 -14.610 4.015 56 HB3 GLN 8 1HB GLN 8 -3.434 -15.959 3.265 57 HG2 GLN 8 2HG GLN 8 -1.413 -15.363 4.584 58 HG3 GLN 8 1HG GLN 8 -2.318 -14.067 5.373 59 HE21 GLN 8 1HE2 GLN 8 -2.476 -16.812 7.786 60 HE22 GLN 8 2HE2 GLN 8 -1.331 -15.632 7.179 61 H VAL 9 H VAL 9 -2.816 -15.761 0.757 62 HA VAL 9 HA VAL 9 -0.003 -16.506 1.010 63 HB VAL 9 HB VAL 9 -1.644 -18.238 0.646 64 HG11 VAL 9 1HG1 VAL 9 -2.388 -16.711 -1.870 65 HG12 VAL 9 2HG1 VAL 9 -2.978 -18.334 -1.428 66 HG13 VAL 9 3HG1 VAL 9 -3.379 -16.939 -0.403 67 HG21 VAL 9 1HG2 VAL 9 0.581 -18.510 -0.445 68 HG22 VAL 9 2HG2 VAL 9 -0.717 -19.351 -1.308 69 HG23 VAL 9 3HG2 VAL 9 -0.090 -17.816 -1.943 70 H LEU 10 H LEU 10 -1.944 -14.341 -0.990 71 HA LEU 10 HA LEU 10 -0.098 -14.057 -3.160 72 HB2 LEU 10 2HB LEU 10 -2.095 -12.165 -1.840 73 HB3 LEU 10 1HB LEU 10 -1.134 -11.712 -3.255 74 HG LEU 10 HG LEU 10 -3.066 -14.076 -3.168 75 HD11 LEU 10 1HD1 LEU 10 -3.203 -11.372 -4.562 76 HD12 LEU 10 2HD1 LEU 10 -4.394 -12.684 -4.717 77 HD13 LEU 10 3HD1 LEU 10 -4.201 -11.843 -3.158 78 HD21 LEU 10 1HD2 LEU 10 -1.225 -14.409 -4.762 79 HD22 LEU 10 2HD2 LEU 10 -2.723 -13.986 -5.627 80 HD23 LEU 10 3HD2 LEU 10 -1.478 -12.732 -5.372 81 H VAL 11 H VAL 11 -0.212 -12.725 0.133 82 HA VAL 11 HA VAL 11 1.887 -10.781 -0.362 83 HB VAL 11 HB VAL 11 0.542 -11.854 2.146 84 HG11 VAL 11 1HG1 VAL 11 2.755 -11.058 2.784 85 HG12 VAL 11 2HG1 VAL 11 2.564 -9.609 1.774 86 HG13 VAL 11 3HG1 VAL 11 1.566 -9.815 3.232 87 HG21 VAL 11 1HG2 VAL 11 -0.854 -10.509 0.555 88 HG22 VAL 11 2HG2 VAL 11 -0.612 -9.707 2.126 89 HG23 VAL 11 3HG2 VAL 11 0.320 -9.179 0.706 90 H GLU 12 H GLU 12 1.717 -14.116 1.010 91 HA GLU 12 HA GLU 12 4.408 -14.026 2.012 92 HB2 GLU 12 2HB GLU 12 2.675 -16.397 1.218 93 HB3 GLU 12 1HB GLU 12 4.199 -16.474 2.134 94 HG2 GLU 12 2HG GLU 12 3.156 -14.911 3.836 95 HG3 GLU 12 1HG GLU 12 1.630 -15.088 2.980 96 H ARG 13 H ARG 13 2.971 -14.856 -1.138 97 HA ARG 13 HA ARG 13 5.277 -16.095 -2.304 98 HB2 ARG 13 2HB ARG 13 2.891 -14.588 -3.426 99 HB3 ARG 13 1HB ARG 13 4.105 -15.347 -4.468 100 HG2 ARG 13 2HG ARG 13 3.612 -17.531 -3.653 101 HG3 ARG 13 1HG ARG 13 2.704 -16.902 -2.271 102 HD2 ARG 13 2HD ARG 13 1.076 -17.696 -3.839 103 HD3 ARG 13 1HD ARG 13 1.022 -15.932 -3.888 104 HE ARG 13 HE ARG 13 1.843 -15.963 -6.072 105 HH11 ARG 13 1HH1 ARG 13 2.078 -19.202 -4.656 106 HH12 ARG 13 2HH1 ARG 13 2.383 -19.971 -6.196 107 HH21 ARG 13 1HH2 ARG 13 2.190 -17.017 -8.065 108 HH22 ARG 13 2HH2 ARG 13 2.458 -18.744 -8.104 109 H VAL 14 H VAL 14 4.237 -12.619 -2.235 110 HA VAL 14 HA VAL 14 6.528 -11.891 -3.825 111 HB VAL 14 HB VAL 14 4.753 -10.478 -4.087 112 HG11 VAL 14 1HG1 VAL 14 4.540 -9.994 -1.102 113 HG12 VAL 14 2HG1 VAL 14 3.540 -9.294 -2.412 114 HG13 VAL 14 3HG1 VAL 14 3.459 -11.028 -2.078 115 HG21 VAL 14 1HG2 VAL 14 6.882 -9.224 -3.854 116 HG22 VAL 14 2HG2 VAL 14 5.480 -8.258 -3.335 117 HG23 VAL 14 3HG2 VAL 14 6.530 -8.981 -2.116 118 H GLN 15 H GLN 15 6.158 -12.498 -0.373 119 HA GLN 15 HA GLN 15 8.641 -11.161 0.317 120 HB2 GLN 15 2HB GLN 15 7.101 -13.412 1.669 121 HB3 GLN 15 1HB GLN 15 8.569 -12.666 2.316 122 HG2 GLN 15 2HG GLN 15 7.441 -10.434 2.224 123 HG3 GLN 15 1HG GLN 15 5.936 -11.245 1.760 124 HE21 GLN 15 1HE2 GLN 15 5.822 -10.722 5.443 125 HE22 GLN 15 2HE2 GLN 15 5.747 -9.771 3.976 126 H LYS 16 H LYS 16 7.781 -14.359 -1.048 127 HA LYS 16 HA LYS 16 10.457 -15.443 -0.714 128 HB2 LYS 16 2HB LYS 16 8.102 -16.282 -2.461 129 HB3 LYS 16 1HB LYS 16 9.558 -17.239 -2.175 130 HG2 LYS 16 2HG LYS 16 7.461 -16.438 -0.123 131 HG3 LYS 16 1HG LYS 16 7.786 -18.064 -0.752 132 HD2 LYS 16 2HD LYS 16 10.029 -18.002 0.290 133 HD3 LYS 16 1HD LYS 16 9.685 -16.363 0.919 134 HE2 LYS 16 2HE LYS 16 7.757 -17.209 2.167 135 HE3 LYS 16 1HE LYS 16 8.036 -18.839 1.533 136 HZ1 LYS 16 1HZ LYS 16 8.953 -18.577 3.727 137 HZ2 LYS 16 2HZ LYS 16 10.161 -18.846 2.646 138 HZ3 LYS 16 3HZ LYS 16 9.907 -17.331 3.239 139 H GLY 17 H GLY 17 9.044 -13.164 -2.857 140 HA2 GLY 17 2HA GLY 17 10.634 -11.888 -4.184 141 HA3 GLY 17 3HA GLY 17 11.435 -13.400 -4.631 142 H ASP 18 H ASP 18 8.109 -14.000 -4.589 143 HA ASP 18 HA ASP 18 7.976 -13.958 -7.499 144 HB2 ASP 18 2HB ASP 18 6.047 -14.821 -5.302 145 HB3 ASP 18 1HB ASP 18 5.726 -14.999 -7.005 146 H GLN 19 H GLN 19 8.089 -11.691 -7.923 147 HA GLN 19 HA GLN 19 6.301 -9.805 -6.729 148 HB2 GLN 19 2HB GLN 19 8.538 -9.374 -7.817 149 HB3 GLN 19 1HB GLN 19 7.765 -9.640 -9.394 150 HG2 GLN 19 2HG GLN 19 6.216 -7.768 -8.955 151 HG3 GLN 19 1HG GLN 19 6.907 -7.557 -7.340 152 HE21 GLN 19 1HE2 GLN 19 8.551 -4.951 -9.305 153 HE22 GLN 19 2HE2 GLN 19 7.012 -5.291 -8.539 154 H LYS 20 H LYS 20 5.862 -12.234 -9.128 155 HA LYS 20 HA LYS 20 3.797 -11.106 -10.717 156 HB2 LYS 20 2HB LYS 20 3.091 -13.539 -10.942 157 HB3 LYS 20 1HB LYS 20 4.744 -13.147 -11.446 158 HG2 LYS 20 2HG LYS 20 5.716 -14.179 -9.581 159 HG3 LYS 20 1HG LYS 20 4.217 -14.109 -8.621 160 HD2 LYS 20 2HD LYS 20 3.164 -15.780 -9.932 161 HD3 LYS 20 1HD LYS 20 4.468 -15.773 -11.145 162 HE2 LYS 20 2HE LYS 20 4.878 -16.512 -8.222 163 HE3 LYS 20 1HE LYS 20 4.526 -17.703 -9.487 164 HZ1 LYS 20 1HZ LYS 20 6.844 -15.888 -9.498 165 HZ2 LYS 20 2HZ LYS 20 6.887 -17.463 -9.078 166 HZ3 LYS 20 3HZ LYS 20 6.508 -17.038 -10.625 167 H ALA 21 H ALA 21 3.742 -12.532 -7.438 168 HA ALA 21 HA ALA 21 0.833 -12.617 -7.392 169 HB1 ALA 21 1HB ALA 21 2.865 -12.827 -5.133 170 HB2 ALA 21 2HB ALA 21 1.137 -13.251 -5.050 171 HB3 ALA 21 3HB ALA 21 2.235 -14.182 -6.100 172 H PHE 22 H PHE 22 3.397 -10.348 -6.306 173 HA PHE 22 HA PHE 22 1.663 -8.564 -4.932 174 HB2 PHE 22 2HB PHE 22 4.084 -8.541 -4.766 175 HB3 PHE 22 1HB PHE 22 4.239 -8.051 -6.451 176 HD1 PHE 22 1HD PHE 22 4.466 -5.755 -6.919 177 HD2 PHE 22 2HD PHE 22 2.544 -6.981 -3.275 178 HE1 PHE 22 1HE PHE 22 4.285 -3.381 -6.211 179 HE2 PHE 22 2HE PHE 22 2.367 -4.612 -2.566 180 HZ PHE 22 HZ PHE 22 3.223 -2.810 -4.045 181 H ASN 23 H ASN 23 2.462 -8.975 -8.424 182 HA ASN 23 HA ASN 23 1.315 -6.524 -9.324 183 HB2 ASN 23 2HB ASN 23 2.781 -8.115 -10.641 184 HB3 ASN 23 1HB ASN 23 1.384 -9.187 -10.789 185 HD21 ASN 23 1HD2 ASN 23 0.941 -7.432 -13.861 186 HD22 ASN 23 2HD2 ASN 23 1.651 -8.866 -13.133 187 H LEU 24 H LEU 24 -0.066 -9.778 -8.744 188 HA LEU 24 HA LEU 24 -2.684 -9.054 -9.755 189 HB2 LEU 24 2HB LEU 24 -1.748 -11.387 -8.038 190 HB3 LEU 24 1HB LEU 24 -3.297 -11.294 -8.893 191 HG LEU 24 HG LEU 24 -0.566 -11.204 -10.259 192 HD11 LEU 24 1HD1 LEU 24 -2.528 -13.500 -9.906 193 HD12 LEU 24 2HD1 LEU 24 -1.038 -13.536 -10.895 194 HD13 LEU 24 3HD1 LEU 24 -0.931 -13.346 -9.137 195 HD21 LEU 24 1HD2 LEU 24 -2.333 -10.127 -11.567 196 HD22 LEU 24 2HD2 LEU 24 -1.885 -11.675 -12.300 197 HD23 LEU 24 3HD2 LEU 24 -3.385 -11.554 -11.348 198 H LEU 25 H LEU 25 -0.980 -8.800 -6.729 199 HA LEU 25 HA LEU 25 -3.384 -8.533 -5.100 200 HB2 LEU 25 2HB LEU 25 -1.205 -9.582 -4.365 201 HB3 LEU 25 1HB LEU 25 -0.462 -7.980 -4.460 202 HG LEU 25 HG LEU 25 -2.115 -7.170 -2.746 203 HD11 LEU 25 1HD1 LEU 25 -3.339 -8.931 -1.453 204 HD12 LEU 25 2HD1 LEU 25 -3.923 -8.813 -3.123 205 HD13 LEU 25 3HD1 LEU 25 -2.824 -10.136 -2.659 206 HD21 LEU 25 1HD2 LEU 25 -1.048 -8.371 -0.866 207 HD22 LEU 25 2HD2 LEU 25 -0.483 -9.634 -1.992 208 HD23 LEU 25 3HD2 LEU 25 0.145 -7.975 -2.122 209 H VAL 26 H VAL 26 -1.113 -6.440 -6.832 210 HA VAL 26 HA VAL 26 -1.839 -4.002 -5.441 211 HB VAL 26 HB VAL 26 -0.329 -4.674 -7.977 212 HG11 VAL 26 1HG1 VAL 26 -1.036 -1.893 -6.949 213 HG12 VAL 26 2HG1 VAL 26 0.181 -2.238 -8.194 214 HG13 VAL 26 3HG1 VAL 26 -1.523 -2.593 -8.511 215 HG21 VAL 26 1HG2 VAL 26 1.517 -3.663 -6.743 216 HG22 VAL 26 2HG2 VAL 26 0.420 -3.164 -5.435 217 HG23 VAL 26 3HG2 VAL 26 0.746 -4.889 -5.705 218 H VAL 27 H VAL 27 -2.692 -5.281 -8.729 219 HA VAL 27 HA VAL 27 -4.384 -3.088 -9.353 220 HB VAL 27 HB VAL 27 -3.404 -4.685 -10.965 221 HG11 VAL 27 1HG1 VAL 27 -3.798 -6.775 -9.700 222 HG12 VAL 27 2HG1 VAL 27 -5.550 -6.600 -9.959 223 HG13 VAL 27 3HG1 VAL 27 -4.464 -6.865 -11.341 224 HG21 VAL 27 1HG2 VAL 27 -5.335 -3.261 -11.592 225 HG22 VAL 27 2HG2 VAL 27 -5.330 -4.805 -12.466 226 HG23 VAL 27 3HG2 VAL 27 -6.452 -4.559 -11.107 227 H ARG 28 H ARG 28 -4.945 -5.909 -7.374 228 HA ARG 28 HA ARG 28 -7.828 -5.901 -7.432 229 HB2 ARG 28 2HB ARG 28 -6.568 -7.853 -6.774 230 HB3 ARG 28 1HB ARG 28 -5.706 -6.946 -5.520 231 HG2 ARG 28 2HG ARG 28 -7.700 -6.695 -4.200 232 HG3 ARG 28 1HG ARG 28 -8.713 -7.388 -5.480 233 HD2 ARG 28 2HD ARG 28 -6.439 -8.872 -4.087 234 HD3 ARG 28 1HD ARG 28 -8.149 -9.001 -3.624 235 HE ARG 28 HE ARG 28 -7.969 -9.549 -6.390 236 HH11 ARG 28 1HH1 ARG 28 -6.899 -10.974 -3.331 237 HH12 ARG 28 2HH1 ARG 28 -6.960 -12.609 -3.942 238 HH21 ARG 28 1HH2 ARG 28 -8.012 -11.700 -7.161 239 HH22 ARG 28 2HH2 ARG 28 -7.565 -13.013 -6.099 240 H TYR 29 H TYR 29 -5.378 -4.541 -5.182 241 HA TYR 29 HA TYR 29 -7.485 -3.108 -3.714 242 HB2 TYR 29 2HB TYR 29 -4.542 -3.600 -3.273 243 HB3 TYR 29 1HB TYR 29 -5.435 -2.410 -2.337 244 HD1 TYR 29 1HD TYR 29 -5.430 -6.047 -3.275 245 HD2 TYR 29 2HD TYR 29 -6.838 -3.029 -0.552 246 HE1 TYR 29 1HE TYR 29 -6.349 -7.810 -1.804 247 HE2 TYR 29 2HE TYR 29 -7.803 -4.787 0.903 248 HH TYR 29 HH TYR 29 -8.127 -7.032 1.210 249 H GLN 30 H GLN 30 -5.573 -2.506 -6.451 250 HA GLN 30 HA GLN 30 -4.783 0.167 -6.121 251 HB2 GLN 30 2HB GLN 30 -4.086 -1.326 -7.942 252 HB3 GLN 30 1HB GLN 30 -5.748 -1.379 -8.561 253 HG2 GLN 30 2HG GLN 30 -5.627 1.021 -9.082 254 HG3 GLN 30 1HG GLN 30 -3.952 1.072 -8.470 255 HE21 GLN 30 1HE2 GLN 30 -2.678 -0.969 -11.237 256 HE22 GLN 30 2HE2 GLN 30 -2.484 -0.733 -9.511 257 H HIS 31 H HIS 31 -7.994 -1.218 -6.707 258 HA HIS 31 HA HIS 31 -9.130 1.430 -7.289 259 HB2 HIS 31 2HB HIS 31 -10.426 -1.282 -6.883 260 HB3 HIS 31 1HB HIS 31 -11.262 0.192 -7.394 261 HD2 HIS 31 2HD HIS 31 -9.064 -2.630 -8.710 262 HE1 HIS 31 1HE HIS 31 -9.761 -0.065 -12.027 263 HE2 HIS 31 2HE HIS 31 -8.835 -2.324 -11.296 264 H LYS 32 H LYS 32 -8.804 -0.767 -4.474 265 HA LYS 32 HA LYS 32 -10.699 0.796 -2.878 266 HB2 LYS 32 2HB LYS 32 -8.667 -1.388 -2.244 267 HB3 LYS 32 1HB LYS 32 -9.497 -0.484 -0.988 268 HG2 LYS 32 2HG LYS 32 -10.847 -2.277 -1.101 269 HG3 LYS 32 1HG LYS 32 -11.705 -1.189 -2.193 270 HD2 LYS 32 2HD LYS 32 -9.686 -3.190 -3.258 271 HD3 LYS 32 1HD LYS 32 -11.308 -3.716 -2.795 272 HE2 LYS 32 2HE LYS 32 -12.326 -2.097 -4.336 273 HE3 LYS 32 1HE LYS 32 -10.716 -1.562 -4.849 274 HZ1 LYS 32 1HZ LYS 32 -11.641 -3.201 -6.344 275 HZ2 LYS 32 2HZ LYS 32 -10.290 -3.799 -5.609 276 HZ3 LYS 32 3HZ LYS 32 -11.773 -4.299 -5.130 277 H VAL 33 H VAL 33 -7.148 0.571 -3.162 278 HA VAL 33 HA VAL 33 -6.569 2.346 -1.007 279 HB VAL 33 HB VAL 33 -5.089 0.593 -2.120 280 HG11 VAL 33 1HG1 VAL 33 -4.536 2.878 -4.061 281 HG12 VAL 33 2HG1 VAL 33 -3.712 1.306 -3.996 282 HG13 VAL 33 3HG1 VAL 33 -5.426 1.389 -4.475 283 HG21 VAL 33 1HG2 VAL 33 -4.249 2.234 -0.465 284 HG22 VAL 33 2HG2 VAL 33 -3.033 1.849 -1.707 285 HG23 VAL 33 3HG2 VAL 33 -3.923 3.382 -1.794 286 H ALA 34 H ALA 34 -7.382 2.828 -4.410 287 HA ALA 34 HA ALA 34 -6.472 5.577 -4.512 288 HB1 ALA 34 1HB ALA 34 -6.623 4.155 -6.523 289 HB2 ALA 34 2HB ALA 34 -8.382 4.003 -6.295 290 HB3 ALA 34 3HB ALA 34 -7.669 5.584 -6.676 291 H SER 35 H SER 35 -9.468 3.914 -3.541 292 HA SER 35 HA SER 35 -11.136 6.249 -3.649 293 HB2 SER 35 2HB SER 35 -12.009 3.933 -3.509 294 HB3 SER 35 1HB SER 35 -11.302 3.768 -1.896 295 HG SER 35 HG SER 35 -13.312 5.597 -2.715 296 H LEU 36 H LEU 36 -8.796 4.959 -1.302 297 HA LEU 36 HA LEU 36 -9.644 6.655 0.865 298 HB2 LEU 36 2HB LEU 36 -8.311 4.479 1.017 299 HB3 LEU 36 1HB LEU 36 -6.918 5.377 0.410 300 HG LEU 36 HG LEU 36 -7.193 6.997 2.345 301 HD11 LEU 36 1HD1 LEU 36 -9.539 6.513 2.949 302 HD12 LEU 36 2HD1 LEU 36 -9.106 4.821 3.311 303 HD13 LEU 36 3HD1 LEU 36 -8.470 6.146 4.309 304 HD21 LEU 36 1HD2 LEU 36 -5.512 5.242 2.335 305 HD22 LEU 36 2HD2 LEU 36 -6.195 5.386 3.973 306 HD23 LEU 36 3HD2 LEU 36 -6.709 4.054 2.909 307 H VAL 37 H VAL 37 -6.975 6.872 -1.554 308 HA VAL 37 HA VAL 37 -6.044 9.328 -0.294 309 HB VAL 37 HB VAL 37 -4.434 7.724 -1.026 310 HG11 VAL 37 1HG1 VAL 37 -4.014 7.273 -3.403 311 HG12 VAL 37 2HG1 VAL 37 -5.612 6.673 -2.896 312 HG13 VAL 37 3HG1 VAL 37 -5.489 8.176 -3.835 313 HG21 VAL 37 1HG2 VAL 37 -2.938 9.167 -2.162 314 HG22 VAL 37 2HG2 VAL 37 -4.255 10.046 -2.972 315 HG23 VAL 37 3HG2 VAL 37 -4.006 10.244 -1.221 316 H SER 38 H SER 38 -8.197 8.579 -2.960 317 HA SER 38 HA SER 38 -7.914 11.036 -4.383 318 HB2 SER 38 2HB SER 38 -10.149 10.587 -5.245 319 HB3 SER 38 1HB SER 38 -9.202 9.089 -5.231 320 HG SER 38 HG SER 38 -10.280 8.490 -3.340 321 H ARG 39 H ARG 39 -9.050 10.390 -1.188 322 HA ARG 39 HA ARG 39 -10.779 12.717 -0.946 323 HB2 ARG 39 2HB ARG 39 -9.560 10.903 1.162 324 HB3 ARG 39 1HB ARG 39 -10.933 11.998 1.369 325 HG2 ARG 39 2HG ARG 39 -12.233 10.662 -0.289 326 HG3 ARG 39 1HG ARG 39 -10.825 9.604 -0.528 327 HD2 ARG 39 2HD ARG 39 -10.901 9.099 1.955 328 HD3 ARG 39 1HD ARG 39 -12.477 9.923 1.993 329 HE ARG 39 HE ARG 39 -12.195 7.852 -0.063 330 HH11 ARG 39 1HH1 ARG 39 -13.162 8.504 3.268 331 HH12 ARG 39 2HH1 ARG 39 -14.168 7.075 3.379 332 HH21 ARG 39 1HH2 ARG 39 -13.498 5.998 0.106 333 HH22 ARG 39 2HH2 ARG 39 -14.353 5.660 1.591 334 H TYR 40 H TYR 40 -7.389 12.265 -1.019 335 HA TYR 40 HA TYR 40 -6.960 14.695 0.670 336 HB2 TYR 40 2HB TYR 40 -5.187 12.266 0.290 337 HB3 TYR 40 1HB TYR 40 -4.727 13.722 1.167 338 HD1 TYR 40 1HD TYR 40 -5.961 14.359 3.271 339 HD2 TYR 40 2HD TYR 40 -6.530 10.574 1.309 340 HE1 TYR 40 1HE TYR 40 -6.947 13.438 5.348 341 HE2 TYR 40 2HE TYR 40 -7.521 9.643 3.384 342 HH TYR 40 HH TYR 40 -7.883 11.605 6.360 343 H VAL 41 H VAL 41 -6.457 13.203 -2.453 344 HA VAL 41 HA VAL 41 -5.037 15.683 -3.290 345 HB VAL 41 HB VAL 41 -3.507 14.509 -4.670 346 HG11 VAL 41 1HG1 VAL 41 -2.900 14.734 -2.260 347 HG12 VAL 41 2HG1 VAL 41 -3.539 13.094 -1.977 348 HG13 VAL 41 3HG1 VAL 41 -2.141 13.331 -3.041 349 HG21 VAL 41 1HG2 VAL 41 -3.359 12.050 -4.718 350 HG22 VAL 41 2HG2 VAL 41 -4.896 11.957 -3.804 351 HG23 VAL 41 3HG2 VAL 41 -4.851 12.671 -5.439 352 HA PRO 42 HA PRO 42 -8.167 15.834 -6.346 353 HB2 PRO 42 2HB PRO 42 -6.876 17.017 -8.469 354 HB3 PRO 42 1HB PRO 42 -7.324 17.887 -6.967 355 HG2 PRO 42 2HG PRO 42 -4.651 16.608 -7.642 356 HG3 PRO 42 1HG PRO 42 -4.948 18.278 -7.044 357 HD2 PRO 42 2HD PRO 42 -4.239 16.318 -5.355 358 HD3 PRO 42 1HD PRO 42 -5.523 17.476 -4.885 359 H SER 43 H SER 43 -8.928 14.828 -8.264 360 HA SER 43 HA SER 43 -7.945 12.207 -8.640 361 HB2 SER 43 2HB SER 43 -9.821 13.837 -10.393 362 HB3 SER 43 1HB SER 43 -9.691 12.069 -10.364 363 HG SER 43 HG SER 43 -10.370 12.109 -8.206 364 H GLY 44 H GLY 44 -6.812 15.147 -10.028 365 HA2 GLY 44 2HA GLY 44 -5.917 13.998 -12.558 366 HA3 GLY 44 3HA GLY 44 -5.531 15.601 -11.891 367 H ASP 45 H ASP 45 -4.730 14.023 -9.290 368 HA ASP 45 HA ASP 45 -2.031 13.193 -10.254 369 HB2 ASP 45 2HB ASP 45 -2.803 14.786 -7.780 370 HB3 ASP 45 1HB ASP 45 -1.193 14.134 -8.079 371 H VAL 46 H VAL 46 -4.884 12.159 -8.759 372 HA VAL 46 HA VAL 46 -3.795 10.781 -6.542 373 HB VAL 46 HB VAL 46 -6.173 11.442 -6.827 374 HG11 VAL 46 1HG1 VAL 46 -6.391 8.915 -8.507 375 HG12 VAL 46 2HG1 VAL 46 -7.723 9.914 -7.894 376 HG13 VAL 46 3HG1 VAL 46 -6.612 10.585 -9.109 377 HG21 VAL 46 1HG2 VAL 46 -5.414 9.917 -5.084 378 HG22 VAL 46 2HG2 VAL 46 -7.040 9.463 -5.666 379 HG23 VAL 46 3HG2 VAL 46 -5.619 8.528 -6.186 380 HA PRO 47 HA PRO 47 -3.611 6.811 -9.151 381 HB2 PRO 47 2HB PRO 47 -2.835 6.934 -11.763 382 HB3 PRO 47 1HB PRO 47 -4.554 7.088 -11.272 383 HG2 PRO 47 2HG PRO 47 -2.580 9.332 -11.806 384 HG3 PRO 47 1HG PRO 47 -4.216 9.119 -12.520 385 HD2 PRO 47 2HD PRO 47 -3.837 10.707 -10.382 386 HD3 PRO 47 1HD PRO 47 -5.273 9.632 -10.453 387 H ASP 48 H ASP 48 -1.523 9.618 -9.509 388 HA ASP 48 HA ASP 48 0.913 8.035 -9.821 389 HB2 ASP 48 2HB ASP 48 0.611 10.305 -10.794 390 HB3 ASP 48 1HB ASP 48 0.519 10.975 -9.164 391 H VAL 49 H VAL 49 -0.946 9.505 -7.175 392 HA VAL 49 HA VAL 49 1.154 9.066 -5.202 393 HB VAL 49 HB VAL 49 -1.827 9.612 -4.844 394 HG11 VAL 49 1HG1 VAL 49 0.521 9.896 -2.935 395 HG12 VAL 49 2HG1 VAL 49 -1.159 10.376 -2.604 396 HG13 VAL 49 3HG1 VAL 49 -0.765 8.657 -2.837 397 HG21 VAL 49 1HG2 VAL 49 0.555 11.519 -4.816 398 HG22 VAL 49 2HG2 VAL 49 -0.700 11.451 -6.073 399 HG23 VAL 49 3HG2 VAL 49 -1.125 11.949 -4.429 400 H VAL 50 H VAL 50 -1.616 7.265 -6.516 401 HA VAL 50 HA VAL 50 -1.722 5.255 -4.468 402 HB VAL 50 HB VAL 50 -2.634 5.441 -7.356 403 HG11 VAL 50 1HG1 VAL 50 -2.908 3.099 -5.435 404 HG12 VAL 50 2HG1 VAL 50 -3.911 3.315 -6.892 405 HG13 VAL 50 3HG1 VAL 50 -2.164 3.078 -7.049 406 HG21 VAL 50 1HG2 VAL 50 -4.843 5.494 -6.326 407 HG22 VAL 50 2HG2 VAL 50 -4.132 5.194 -4.717 408 HG23 VAL 50 3HG2 VAL 50 -3.825 6.731 -5.565 409 H GLN 51 H GLN 51 0.083 5.544 -7.580 410 HA GLN 51 HA GLN 51 1.152 2.867 -7.415 411 HB2 GLN 51 2HB GLN 51 0.885 4.187 -9.512 412 HB3 GLN 51 1HB GLN 51 2.134 5.314 -8.948 413 HG2 GLN 51 2HG GLN 51 3.773 3.473 -8.864 414 HG3 GLN 51 1HG GLN 51 2.520 2.320 -9.355 415 HE21 GLN 51 1HE2 GLN 51 4.362 3.036 -12.449 416 HE22 GLN 51 2HE2 GLN 51 4.563 2.145 -10.955 417 H GLU 52 H GLU 52 2.231 6.074 -6.219 418 HA GLU 52 HA GLU 52 4.878 5.156 -5.550 419 HB2 GLU 52 2HB GLU 52 4.180 7.552 -5.838 420 HB3 GLU 52 1HB GLU 52 3.281 7.431 -4.308 421 HG2 GLU 52 2HG GLU 52 5.397 6.763 -3.160 422 HG3 GLU 52 1HG GLU 52 6.274 6.959 -4.687 423 H ALA 53 H ALA 53 1.723 5.129 -3.886 424 HA ALA 53 HA ALA 53 2.782 4.343 -1.326 425 HB1 ALA 53 1HB ALA 53 0.019 3.970 -2.560 426 HB2 ALA 53 2HB ALA 53 0.431 3.786 -0.841 427 HB3 ALA 53 3HB ALA 53 0.568 5.380 -1.623 428 H PHE 54 H PHE 54 2.003 2.621 -4.326 429 HA PHE 54 HA PHE 54 2.099 -0.005 -3.056 430 HB2 PHE 54 2HB PHE 54 1.829 1.088 -5.847 431 HB3 PHE 54 1HB PHE 54 2.251 -0.603 -5.620 432 HD1 PHE 54 1HD PHE 54 0.655 -1.553 -3.411 433 HD2 PHE 54 2HD PHE 54 -0.386 1.293 -6.467 434 HE1 PHE 54 1HE PHE 54 -1.745 -2.140 -3.144 435 HE2 PHE 54 2HE PHE 54 -2.765 0.690 -6.212 436 HZ PHE 54 HZ PHE 54 -3.448 -1.043 -4.555 437 H ILE 55 H ILE 55 4.406 2.191 -4.676 438 HA ILE 55 HA ILE 55 6.480 0.162 -4.863 439 HB ILE 55 HB ILE 55 6.571 3.211 -4.789 440 HG12 ILE 55 2HG1 ILE 55 5.602 2.575 -6.836 441 HG13 ILE 55 1HG1 ILE 55 7.305 2.805 -7.216 442 HG21 ILE 55 1HG2 ILE 55 8.818 1.204 -5.229 443 HG22 ILE 55 2HG2 ILE 55 8.927 2.947 -5.565 444 HG23 ILE 55 3HG2 ILE 55 8.671 2.393 -3.907 445 HD11 ILE 55 1HD1 ILE 55 5.861 0.160 -6.766 446 HD12 ILE 55 2HD1 ILE 55 6.520 0.777 -8.296 447 HD13 ILE 55 3HD1 ILE 55 7.622 0.302 -6.981 448 H LYS 56 H LYS 56 5.533 2.580 -2.426 449 HA LYS 56 HA LYS 56 7.604 1.898 -0.548 450 HB2 LYS 56 2HB LYS 56 4.851 3.181 -0.296 451 HB3 LYS 56 1HB LYS 56 5.977 2.997 1.069 452 HG2 LYS 56 2HG LYS 56 7.667 4.293 -0.107 453 HG3 LYS 56 1HG LYS 56 6.644 4.418 -1.550 454 HD2 LYS 56 2HD LYS 56 5.077 5.833 -0.508 455 HD3 LYS 56 1HD LYS 56 5.557 5.336 1.116 456 HE2 LYS 56 2HE LYS 56 6.396 7.574 0.746 457 HE3 LYS 56 1HE LYS 56 7.760 6.449 0.808 458 HZ1 LYS 56 1HZ LYS 56 6.562 7.605 -1.623 459 HZ2 LYS 56 2HZ LYS 56 8.028 7.957 -0.995 460 HZ3 LYS 56 3HZ LYS 56 7.758 6.463 -1.617 461 H ALA 57 H ALA 57 4.428 0.504 -1.320 462 HA ALA 57 HA ALA 57 4.306 -1.168 1.021 463 HB1 ALA 57 1HB ALA 57 2.962 -1.437 -1.700 464 HB2 ALA 57 2HB ALA 57 2.497 -2.297 -0.214 465 HB3 ALA 57 3HB ALA 57 2.319 -0.533 -0.301 466 H TYR 58 H TYR 58 5.787 -1.507 -2.220 467 HA TYR 58 HA TYR 58 6.189 -4.367 -1.962 468 HB2 TYR 58 2HB TYR 58 6.038 -3.314 -4.142 469 HB3 TYR 58 1HB TYR 58 7.376 -2.234 -3.767 470 HD1 TYR 58 1HD TYR 58 9.605 -2.852 -4.220 471 HD2 TYR 58 2HD TYR 58 6.509 -5.839 -4.246 472 HE1 TYR 58 1HE TYR 58 11.211 -4.498 -5.137 473 HE2 TYR 58 2HE TYR 58 8.112 -7.495 -5.175 474 HH TYR 58 HH TYR 58 11.526 -6.651 -5.862 475 H ARG 59 H ARG 59 8.298 -1.477 -1.616 476 HA ARG 59 HA ARG 59 10.643 -2.985 -0.919 477 HB2 ARG 59 2HB ARG 59 9.895 -0.084 -0.455 478 HB3 ARG 59 1HB ARG 59 11.527 -0.749 -0.257 479 HG2 ARG 59 2HG ARG 59 9.919 -0.737 -2.849 480 HG3 ARG 59 1HG ARG 59 11.221 0.391 -2.442 481 HD2 ARG 59 2HD ARG 59 11.499 -2.629 -2.711 482 HD3 ARG 59 1HD ARG 59 11.983 -1.437 -3.921 483 HE ARG 59 HE ARG 59 13.373 -2.092 -1.416 484 HH11 ARG 59 1HH1 ARG 59 13.053 0.211 -4.087 485 HH12 ARG 59 2HH1 ARG 59 14.634 0.909 -3.819 486 HH21 ARG 59 1HH2 ARG 59 15.429 -1.176 -1.113 487 HH22 ARG 59 2HH2 ARG 59 15.980 0.107 -2.168 488 H ALA 60 H ALA 60 7.820 -2.155 0.888 489 HA ALA 60 HA ALA 60 9.259 -2.814 3.410 490 HB1 ALA 60 1HB ALA 60 6.595 -1.402 3.024 491 HB2 ALA 60 2HB ALA 60 7.409 -1.713 4.571 492 HB3 ALA 60 3HB ALA 60 8.148 -0.615 3.391 493 H LEU 61 H LEU 61 7.399 -4.327 1.037 494 HA LEU 61 HA LEU 61 5.584 -5.775 2.721 495 HB2 LEU 61 2HB LEU 61 6.229 -5.593 -0.092 496 HB3 LEU 61 1HB LEU 61 6.222 -7.296 0.377 497 HG LEU 61 HG LEU 61 3.954 -5.336 0.962 498 HD11 LEU 61 1HD1 LEU 61 2.750 -6.571 -0.775 499 HD12 LEU 61 2HD1 LEU 61 4.221 -5.815 -1.436 500 HD13 LEU 61 3HD1 LEU 61 4.203 -7.563 -1.089 501 HD21 LEU 61 1HD2 LEU 61 2.711 -7.414 1.499 502 HD22 LEU 61 2HD2 LEU 61 4.218 -8.346 1.288 503 HD23 LEU 61 3HD2 LEU 61 4.070 -7.161 2.609 504 H ASP 62 H ASP 62 8.964 -6.232 1.757 505 HA ASP 62 HA ASP 62 9.118 -8.915 2.855 506 HB2 ASP 62 2HB ASP 62 10.608 -8.050 1.066 507 HB3 ASP 62 1HB ASP 62 11.294 -6.884 2.207 508 H SER 63 H SER 63 8.619 -5.967 4.320 509 HA SER 63 HA SER 63 9.889 -6.893 6.853 510 HB2 SER 63 2HB SER 63 10.796 -4.766 5.897 511 HB3 SER 63 1HB SER 63 9.174 -4.057 6.021 512 HG SER 63 HG SER 63 10.767 -5.074 8.151 513 H PHE 64 H PHE 64 6.985 -6.479 5.159 514 HA PHE 64 HA PHE 64 5.198 -5.829 7.312 515 HB2 PHE 64 2HB PHE 64 4.564 -5.544 4.966 516 HB3 PHE 64 1HB PHE 64 4.879 -7.241 4.642 517 HD1 PHE 64 1HD PHE 64 2.728 -5.090 6.844 518 HD2 PHE 64 2HD PHE 64 3.126 -8.760 4.646 519 HE1 PHE 64 1HE PHE 64 0.370 -5.664 7.374 520 HE2 PHE 64 2HE PHE 64 0.758 -9.325 5.165 521 HZ PHE 64 HZ PHE 64 -0.608 -7.780 6.532 522 H ASP 65 H ASP 65 4.080 -7.149 8.710 523 HA ASP 65 HA ASP 65 5.007 -9.951 8.924 524 HB2 ASP 65 2HB ASP 65 5.006 -8.544 10.946 525 HB3 ASP 65 1HB ASP 65 3.275 -8.236 10.735 526 H ILE 66 H ILE 66 3.926 -11.441 7.800 527 HA ILE 66 HA ILE 66 1.476 -10.938 6.477 528 HB ILE 66 HB ILE 66 3.029 -12.566 5.644 529 HG12 ILE 66 2HG1 ILE 66 1.618 -14.601 5.421 530 HG13 ILE 66 1HG1 ILE 66 0.566 -14.016 6.705 531 HG21 ILE 66 1HG2 ILE 66 2.635 -14.066 8.257 532 HG22 ILE 66 2HG2 ILE 66 3.545 -14.658 6.841 533 HG23 ILE 66 3HG2 ILE 66 4.121 -13.229 7.708 534 HD11 ILE 66 1HD1 ILE 66 0.055 -11.976 5.351 535 HD12 ILE 66 2HD1 ILE 66 1.153 -12.568 4.081 536 HD13 ILE 66 3HD1 ILE 66 -0.341 -13.459 4.456 537 H ASN 67 H ASN 67 2.136 -11.902 9.758 538 HA ASN 67 HA ASN 67 -0.398 -13.254 10.135 539 HB2 ASN 67 2HB ASN 67 1.685 -12.340 12.145 540 HB3 ASN 67 1HB ASN 67 0.318 -13.446 12.441 541 HD21 ASN 67 1HD2 ASN 67 3.647 -14.793 10.464 542 HD22 ASN 67 2HD2 ASN 67 3.450 -13.088 10.836 543 H ARG 68 H ARG 68 0.258 -10.110 9.631 544 HA ARG 68 HA ARG 68 -1.948 -9.110 11.381 545 HB2 ARG 68 2HB ARG 68 0.480 -7.739 10.201 546 HB3 ARG 68 1HB ARG 68 -0.875 -6.866 10.954 547 HG2 ARG 68 2HG ARG 68 -0.507 -8.151 13.060 548 HG3 ARG 68 1HG ARG 68 0.872 -8.983 12.295 549 HD2 ARG 68 2HD ARG 68 2.002 -6.813 11.981 550 HD3 ARG 68 1HD ARG 68 0.631 -5.985 12.746 551 HE ARG 68 HE ARG 68 1.574 -8.009 14.513 552 HH11 ARG 68 1HH1 ARG 68 2.603 -4.911 13.155 553 HH12 ARG 68 2HH1 ARG 68 3.621 -4.514 14.519 554 HH21 ARG 68 1HH2 ARG 68 2.917 -7.478 16.275 555 HH22 ARG 68 2HH2 ARG 68 3.805 -5.974 16.285 556 H LYS 69 H LYS 69 -3.073 -7.144 10.266 557 HA LYS 69 HA LYS 69 -4.416 -8.274 8.023 558 HB2 LYS 69 2HB LYS 69 -5.359 -6.626 9.743 559 HB3 LYS 69 1HB LYS 69 -4.456 -5.368 8.896 560 HG2 LYS 69 2HG LYS 69 -6.683 -5.314 8.063 561 HG3 LYS 69 1HG LYS 69 -5.700 -6.023 6.774 562 HD2 LYS 69 2HD LYS 69 -6.451 -8.272 7.386 563 HD3 LYS 69 1HD LYS 69 -7.317 -7.633 8.804 564 HE2 LYS 69 2HE LYS 69 -7.909 -6.862 5.927 565 HE3 LYS 69 1HE LYS 69 -8.811 -8.073 6.858 566 HZ1 LYS 69 1HZ LYS 69 -9.889 -5.947 6.950 567 HZ2 LYS 69 2HZ LYS 69 -9.340 -6.343 8.453 568 HZ3 LYS 69 3HZ LYS 69 -8.544 -5.225 7.556 569 H PHE 70 H PHE 70 -4.120 -8.102 5.879 570 HA PHE 70 HA PHE 70 -1.769 -6.809 4.806 571 HB2 PHE 70 2HB PHE 70 -3.006 -7.514 2.610 572 HB3 PHE 70 1HB PHE 70 -2.330 -8.739 3.674 573 HD1 PHE 70 1HD PHE 70 -3.653 -10.331 4.825 574 HD2 PHE 70 2HD PHE 70 -5.522 -7.166 2.600 575 HE1 PHE 70 1HE PHE 70 -5.839 -11.465 5.052 576 HE2 PHE 70 2HE PHE 70 -7.719 -8.302 2.844 577 HZ PHE 70 HZ PHE 70 -7.875 -10.447 4.076 578 H SER 71 H SER 71 -5.274 -5.994 4.868 579 HA SER 71 HA SER 71 -4.869 -3.849 2.944 580 HB2 SER 71 2HB SER 71 -7.283 -3.506 3.219 581 HB3 SER 71 1HB SER 71 -6.852 -5.188 2.848 582 HG SER 71 HG SER 71 -8.380 -4.987 4.572 583 H THR 72 H THR 72 -5.450 -4.019 6.492 584 HA THR 72 HA THR 72 -5.871 -1.204 6.809 585 HB THR 72 HB THR 72 -4.817 -3.338 8.683 586 HG1 THR 72 1HG THR 72 -6.967 -3.432 9.304 587 HG21 THR 72 1HG2 THR 72 -4.264 -1.107 9.583 588 HG22 THR 72 2HG2 THR 72 -5.947 -0.582 9.335 589 HG23 THR 72 3HG2 THR 72 -5.562 -1.858 10.518 590 H TRP 73 H TRP 73 -2.937 -3.210 6.648 591 HA TRP 73 HA TRP 73 -1.147 -1.034 7.388 592 HB2 TRP 73 2HB TRP 73 -0.524 -3.280 7.892 593 HB3 TRP 73 1HB TRP 73 -0.839 -3.812 6.243 594 HD1 TRP 73 HD TRP 73 1.826 -2.060 8.332 595 HE1 TRP 73 1HE TRP 73 4.038 -2.105 7.056 596 HE3 TRP 73 3HE TRP 73 0.095 -3.690 3.821 597 HZ2 TRP 73 2HZ TRP 73 4.964 -2.877 4.402 598 HZ3 TRP 73 3HZ TRP 73 1.653 -4.041 1.930 599 HH2 TRP 73 HH TRP 73 4.087 -3.641 2.225 600 H LEU 74 H LEU 74 -2.622 -2.303 4.426 601 HA LEU 74 HA LEU 74 -0.840 -0.894 2.625 602 HB2 LEU 74 2HB LEU 74 -2.096 -2.886 1.916 603 HB3 LEU 74 1HB LEU 74 -3.621 -2.078 2.269 604 HG LEU 74 HG LEU 74 -3.238 -0.420 0.515 605 HD11 LEU 74 1HD1 LEU 74 -0.655 -1.938 -0.038 606 HD12 LEU 74 2HD1 LEU 74 -1.347 -0.659 -1.065 607 HD13 LEU 74 3HD1 LEU 74 -0.779 -0.263 0.562 608 HD21 LEU 74 1HD2 LEU 74 -2.747 -3.268 -0.439 609 HD22 LEU 74 2HD2 LEU 74 -4.330 -2.566 -0.051 610 HD23 LEU 74 3HD2 LEU 74 -3.390 -1.931 -1.421 611 H TYR 75 H TYR 75 -4.009 -0.211 4.139 612 HA TYR 75 HA TYR 75 -4.471 2.188 2.602 613 HB2 TYR 75 2HB TYR 75 -5.647 1.180 5.218 614 HB3 TYR 75 1HB TYR 75 -6.286 2.528 4.286 615 HD1 TYR 75 1HD TYR 75 -7.513 -0.269 5.158 616 HD2 TYR 75 2HD TYR 75 -5.933 1.300 1.477 617 HE1 TYR 75 1HE TYR 75 -8.951 -1.835 3.883 618 HE2 TYR 75 2HE TYR 75 -7.347 -0.278 0.197 619 HH TYR 75 HH TYR 75 -9.588 -2.571 1.800 620 H ARG 76 H ARG 76 -2.825 1.511 5.694 621 HA ARG 76 HA ARG 76 -2.735 4.259 6.529 622 HB2 ARG 76 2HB ARG 76 -2.464 2.416 8.103 623 HB3 ARG 76 1HB ARG 76 -1.066 1.803 7.208 624 HG2 ARG 76 2HG ARG 76 -0.457 3.059 9.285 625 HG3 ARG 76 1HG ARG 76 0.261 3.731 7.815 626 HD2 ARG 76 2HD ARG 76 -0.552 5.529 9.220 627 HD3 ARG 76 1HD ARG 76 -1.517 5.448 7.733 628 HE ARG 76 HE ARG 76 -2.742 3.922 9.850 629 HH11 ARG 76 1HH1 ARG 76 -2.214 7.225 8.702 630 HH12 ARG 76 2HH1 ARG 76 -3.652 7.848 9.476 631 HH21 ARG 76 1HH2 ARG 76 -4.616 4.765 10.851 632 HH22 ARG 76 2HH2 ARG 76 -5.012 6.459 10.684 633 H ILE 77 H ILE 77 -0.745 2.238 4.397 634 HA ILE 77 HA ILE 77 1.449 4.132 4.247 635 HB ILE 77 HB ILE 77 0.574 1.725 2.613 636 HG12 ILE 77 2HG1 ILE 77 2.887 2.305 4.502 637 HG13 ILE 77 1HG1 ILE 77 1.432 1.401 4.927 638 HG21 ILE 77 1HG2 ILE 77 3.069 3.438 2.240 639 HG22 ILE 77 2HG2 ILE 77 2.745 1.888 1.430 640 HG23 ILE 77 3HG2 ILE 77 1.719 3.278 1.083 641 HD11 ILE 77 1HD1 ILE 77 3.520 0.553 2.876 642 HD12 ILE 77 2HD1 ILE 77 3.219 -0.174 4.461 643 HD13 ILE 77 3HD1 ILE 77 1.986 -0.304 3.185 644 H ALA 78 H ALA 78 -1.633 3.683 2.517 645 HA ALA 78 HA ALA 78 -0.826 5.354 0.295 646 HB1 ALA 78 1HB ALA 78 -3.166 5.095 -0.390 647 HB2 ALA 78 2HB ALA 78 -2.448 3.536 0.100 648 HB3 ALA 78 3HB ALA 78 -3.566 4.388 1.193 649 H VAL 79 H VAL 79 -2.582 5.930 3.377 650 HA VAL 79 HA VAL 79 -3.260 8.644 2.518 651 HB VAL 79 HB VAL 79 -4.778 7.388 3.933 652 HG11 VAL 79 1HG1 VAL 79 -2.636 7.596 6.085 653 HG12 VAL 79 2HG1 VAL 79 -4.285 6.951 6.275 654 HG13 VAL 79 3HG1 VAL 79 -3.116 6.101 5.240 655 HG21 VAL 79 1HG2 VAL 79 -4.679 9.882 4.020 656 HG22 VAL 79 2HG2 VAL 79 -5.248 9.151 5.539 657 HG23 VAL 79 3HG2 VAL 79 -3.585 9.768 5.418 658 H ASN 80 H ASN 80 -0.664 7.051 4.327 659 HA ASN 80 HA ASN 80 0.432 9.581 5.271 660 HB2 ASN 80 2HB ASN 80 1.543 6.752 5.105 661 HB3 ASN 80 1HB ASN 80 2.456 8.125 5.735 662 HD21 ASN 80 1HD2 ASN 80 1.126 6.692 8.781 663 HD22 ASN 80 2HD2 ASN 80 2.384 6.420 7.589 664 H THR 81 H THR 81 0.763 7.554 2.365 665 HA THR 81 HA THR 81 2.990 9.073 1.290 666 HB THR 81 HB THR 81 0.921 7.232 0.024 667 HG1 THR 81 1HG THR 81 2.321 6.170 1.355 668 HG21 THR 81 1HG2 THR 81 1.737 8.688 -1.727 669 HG22 THR 81 2HG2 THR 81 3.427 8.482 -1.181 670 HG23 THR 81 3HG2 THR 81 2.531 7.119 -1.893 671 H ALA 82 H ALA 82 -0.508 9.469 1.457 672 HA ALA 82 HA ALA 82 -0.756 11.291 -0.747 673 HB1 ALA 82 1HB ALA 82 -2.606 9.962 0.293 674 HB2 ALA 82 2HB ALA 82 -2.462 10.970 1.756 675 HB3 ALA 82 3HB ALA 82 -2.970 11.709 0.223 676 H LYS 83 H LYS 83 -0.481 11.738 2.808 677 HA LYS 83 HA LYS 83 -0.542 14.612 2.680 678 HB2 LYS 83 2HB LYS 83 0.282 12.562 4.775 679 HB3 LYS 83 1HB LYS 83 0.110 14.299 5.124 680 HG2 LYS 83 2HG LYS 83 -2.192 14.304 4.668 681 HG3 LYS 83 1HG LYS 83 -2.154 12.738 3.837 682 HD2 LYS 83 2HD LYS 83 -1.593 11.567 5.859 683 HD3 LYS 83 1HD LYS 83 -1.488 13.091 6.782 684 HE2 LYS 83 2HE LYS 83 -3.982 12.051 5.384 685 HE3 LYS 83 1HE LYS 83 -3.605 11.838 7.104 686 HZ1 LYS 83 1HZ LYS 83 -3.954 14.425 5.736 687 HZ2 LYS 83 2HZ LYS 83 -5.038 13.731 6.759 688 HZ3 LYS 83 3HZ LYS 83 -3.582 14.233 7.330 689 H ASN 84 H ASN 84 2.016 12.165 2.555 690 HA ASN 84 HA ASN 84 4.160 14.101 2.872 691 HB2 ASN 84 2HB ASN 84 4.077 11.260 1.793 692 HB3 ASN 84 1HB ASN 84 5.559 12.217 1.946 693 HD21 ASN 84 1HD2 ASN 84 5.505 10.174 4.990 694 HD22 ASN 84 2HD2 ASN 84 5.740 9.970 3.268 695 H TYR 85 H TYR 85 2.148 12.999 0.177 696 HA TYR 85 HA TYR 85 3.939 14.037 -1.863 697 HB2 TYR 85 2HB TYR 85 2.353 12.248 -2.342 698 HB3 TYR 85 1HB TYR 85 1.001 13.274 -1.885 699 HD1 TYR 85 1HD TYR 85 -0.072 14.612 -3.505 700 HD2 TYR 85 2HD TYR 85 3.855 13.053 -4.310 701 HE1 TYR 85 1HE TYR 85 -0.229 15.427 -5.848 702 HE2 TYR 85 2HE TYR 85 3.702 13.858 -6.651 703 HH TYR 85 HH TYR 85 0.818 15.577 -7.891 704 H LEU 86 H LEU 86 1.214 15.265 0.076 705 HA LEU 86 HA LEU 86 0.892 17.739 -1.355 706 HB2 LEU 86 2HB LEU 86 0.394 16.948 1.536 707 HB3 LEU 86 1HB LEU 86 -0.128 18.478 0.844 708 HG LEU 86 HG LEU 86 -1.033 15.715 -0.085 709 HD11 LEU 86 1HD1 LEU 86 -2.488 17.944 1.394 710 HD12 LEU 86 2HD1 LEU 86 -3.202 16.403 0.852 711 HD13 LEU 86 3HD1 LEU 86 -1.941 16.406 2.104 712 HD21 LEU 86 1HD2 LEU 86 -1.022 17.276 -1.983 713 HD22 LEU 86 2HD2 LEU 86 -2.680 16.965 -1.459 714 HD23 LEU 86 3HD2 LEU 86 -1.879 18.492 -1.002 715 H VAL 87 H VAL 87 3.129 16.632 1.184 716 HA VAL 87 HA VAL 87 4.265 19.265 1.655 717 HB VAL 87 HB VAL 87 5.207 16.433 2.251 718 HG11 VAL 87 1HG1 VAL 87 6.390 19.101 3.125 719 HG12 VAL 87 2HG1 VAL 87 6.817 17.518 3.814 720 HG13 VAL 87 3HG1 VAL 87 7.183 17.870 2.113 721 HG21 VAL 87 1HG2 VAL 87 4.108 18.645 4.038 722 HG22 VAL 87 2HG2 VAL 87 3.168 17.255 3.451 723 HG23 VAL 87 3HG2 VAL 87 4.548 16.990 4.537 724 H ALA 88 H ALA 88 4.765 16.617 -0.640 725 HA ALA 88 HA ALA 88 7.356 17.519 -1.513 726 HB1 ALA 88 1HB ALA 88 7.064 15.820 -3.264 727 HB2 ALA 88 2HB ALA 88 6.621 15.180 -1.666 728 HB3 ALA 88 3HB ALA 88 5.347 15.647 -2.820 729 H GLN 89 H GLN 89 4.180 18.743 -2.069 730 HA GLN 89 HA GLN 89 5.264 20.214 -4.429 731 HB2 GLN 89 2HB GLN 89 2.339 19.961 -3.712 732 HB3 GLN 89 1HB GLN 89 3.060 20.571 -5.209 733 HG2 GLN 89 2HG GLN 89 3.077 17.700 -4.189 734 HG3 GLN 89 1HG GLN 89 2.148 18.322 -5.547 735 HE21 GLN 89 1HE2 GLN 89 5.202 16.494 -6.769 736 HE22 GLN 89 2HE2 GLN 89 3.871 16.094 -5.713 737 H GLY 90 H GLY 90 4.397 20.478 -1.111 738 HA2 GLY 90 2HA GLY 90 3.709 23.318 -1.218 739 HA3 GLY 90 3HA GLY 90 3.908 22.303 0.224 740 H ARG 91 H ARG 91 6.611 21.406 -1.041 741 HA ARG 91 HA ARG 91 8.174 23.596 0.159 742 HB2 ARG 91 2HB ARG 91 9.976 21.982 0.287 743 HB3 ARG 91 1HB ARG 91 8.485 21.258 0.909 744 HG2 ARG 91 2HG ARG 91 8.143 20.191 -1.368 745 HG3 ARG 91 1HG ARG 91 9.760 20.782 -1.817 746 HD2 ARG 91 2HD ARG 91 10.715 19.565 0.130 747 HD3 ARG 91 1HD ARG 91 9.091 18.953 0.524 748 HE ARG 91 HE ARG 91 9.870 18.360 -2.209 749 HH11 ARG 91 1HH1 ARG 91 10.204 17.292 1.142 750 HH12 ARG 91 2HH1 ARG 91 10.496 15.623 0.703 751 HH21 ARG 91 1HH2 ARG 91 10.274 16.185 -2.754 752 HH22 ARG 91 2HH2 ARG 91 10.542 15.001 -1.495 753 H ARG 92 H ARG 92 6.998 23.095 -2.834 754 HA ARG 92 HA ARG 92 9.293 23.300 -4.540 755 HB2 ARG 92 2HB ARG 92 6.367 24.065 -4.922 756 HB3 ARG 92 1HB ARG 92 7.547 23.952 -6.235 757 HG2 ARG 92 2HG ARG 92 6.870 21.637 -4.379 758 HG3 ARG 92 1HG ARG 92 6.056 21.925 -5.922 759 HD2 ARG 92 2HD ARG 92 8.183 21.703 -7.126 760 HD3 ARG 92 1HD ARG 92 9.072 21.547 -5.601 761 HE ARG 92 HE ARG 92 7.219 19.524 -5.459 762 HH11 ARG 92 1HH1 ARG 92 9.639 20.449 -7.862 763 HH12 ARG 92 2HH1 ARG 92 9.924 18.804 -8.383 764 HH21 ARG 92 1HH2 ARG 92 7.613 17.401 -6.135 765 HH22 ARG 92 2HH2 ARG 92 8.758 17.077 -7.418 766 H LEU 93 H LEU 93 7.702 25.583 -2.525 767 HA LEU 93 HA LEU 93 9.034 27.823 -3.964 768 HB2 LEU 93 2HB LEU 93 6.538 27.823 -3.846 769 HB3 LEU 93 1HB LEU 93 6.644 27.907 -2.085 770 HG LEU 93 HG LEU 93 7.746 30.115 -2.241 771 HD11 LEU 93 1HD1 LEU 93 7.437 29.741 -5.255 772 HD12 LEU 93 2HD1 LEU 93 7.894 31.259 -4.444 773 HD13 LEU 93 3HD1 LEU 93 8.974 29.859 -4.358 774 HD21 LEU 93 1HD2 LEU 93 5.295 29.978 -2.187 775 HD22 LEU 93 2HD2 LEU 93 5.842 31.365 -3.147 776 HD23 LEU 93 3HD2 LEU 93 5.252 29.895 -3.964 777 H GLU 94 H GLU 94 9.663 25.771 -1.525 778 HA GLU 94 HA GLU 94 10.787 27.871 0.273 779 HB2 GLU 94 2HB GLU 94 9.061 26.358 1.235 780 HB3 GLU 94 1HB GLU 94 10.092 24.966 0.857 781 HG2 GLU 94 2HG GLU 94 11.841 25.816 2.359 782 HG3 GLU 94 1HG GLU 94 10.902 27.295 2.647 783 H LEU 95 H LEU 95 11.502 25.323 -1.947 784 HA LEU 95 HA LEU 95 13.393 24.218 -2.565 785 HB2 LEU 95 2HB LEU 95 14.434 27.020 -2.044 786 HB3 LEU 95 1HB LEU 95 15.395 25.745 -2.795 787 HG LEU 95 HG LEU 95 13.741 25.529 -4.615 788 HD11 LEU 95 1HD1 LEU 95 12.449 27.946 -3.278 789 HD12 LEU 95 2HD1 LEU 95 12.132 27.430 -4.949 790 HD13 LEU 95 3HD1 LEU 95 11.678 26.369 -3.609 791 HD21 LEU 95 1HD2 LEU 95 14.384 27.644 -5.711 792 HD22 LEU 95 2HD2 LEU 95 14.817 28.338 -4.128 793 HD23 LEU 95 3HD2 LEU 95 15.745 26.974 -4.786 794 H5' GNG 96 H5T DG 96 11.328 2.722 5.663 795 H5'1 GNG 96 1H5* DG 96 11.816 2.972 7.900 796 H5'2 GNG 96 2H5* DG 96 11.548 1.288 7.428 797 H4' GNG 96 H4* DG 96 10.365 1.751 9.502 798 H1' GNG 96 H1* DG 96 7.372 3.408 9.179 799 H8 GNG 96 8H DG 96 8.686 4.366 5.652 800 HN21 GNG 96 1H2 DG 96 4.937 8.273 10.799 801 HN22 GNG 96 2H2 DG 96 5.454 6.710 11.401 802 H2'1 GNG 96 1H2* DG 96 8.160 2.422 6.438 803 H2'2 GNG 96 2H2* DG 96 6.824 1.884 7.513 804 H3' GNG 96 H3* DG 96 9.166 0.506 7.375 805 HN1 GNG 96 1H DG 96 5.390 8.937 8.724 806 H5' DT 97 1H5* DT 97 6.262 1.782 10.665 807 H5'' DT 97 2H5* DT 97 5.076 0.532 11.086 808 H4' DT 97 H4* DT 97 4.076 2.802 11.015 809 H3' DT 97 H3* DT 97 2.898 0.527 9.930 810 H2' DT 97 1H2* DT 97 3.638 0.911 7.726 811 H2'' DT 97 2H2* DT 97 2.032 1.714 7.670 812 H1' DT 97 H1* DT 97 2.924 3.838 8.197 813 H3 DT 97 3H DT 97 5.008 5.888 4.760 814 H71 DT 97 1H7 DT 97 6.043 0.568 4.540 815 H72 DT 97 2H7 DT 97 5.750 1.462 3.028 816 H73 DT 97 3H7 DT 97 7.266 1.701 3.918 817 H6 DT 97 6H DT 97 4.919 1.346 6.323 818 H5' DA 98 1H5* DA 98 -0.509 0.728 9.806 819 H5'' DA 98 2H5* DA 98 -1.368 1.513 11.141 820 H4' DA 98 H4* DA 98 -2.466 -0.567 10.800 821 H3' DA 98 H3* DA 98 -1.445 0.039 13.251 822 H2' DA 98 1H2* DA 98 0.599 -1.105 13.141 823 H2'' DA 98 2H2* DA 98 -0.402 -2.463 13.733 824 H1' DA 98 H1* DA 98 -0.547 -3.446 11.657 825 H8 DA 98 8H DA 98 2.211 -0.716 11.847 826 H61 DA 98 1H6 DA 98 5.893 -4.948 9.201 827 H62 DA 98 2H6 DA 98 5.824 -3.345 9.906 828 H2 DA 98 2H DA 98 1.755 -6.581 9.301 829 H5' DA 99 1H5* DA 99 -4.893 -2.952 12.459 830 H5'' DA 99 2H5* DA 99 -5.649 -1.516 13.167 831 H4' DA 99 H4* DA 99 -6.374 -4.327 14.091 832 H3' DA 99 H3* DA 99 -6.734 -3.783 11.509 833 H2' DA 99 1H2* DA 99 -7.384 -1.517 11.764 834 H2'' DA 99 2H2* DA 99 -8.996 -2.278 11.599 835 H1' DA 99 H1* DA 99 -9.419 -2.159 13.878 836 H8 DA 99 8H DA 99 -7.876 0.411 11.958 837 H61 DA 99 1H6 DA 99 -8.037 4.224 16.862 838 H62 DA 99 2H6 DA 99 -7.829 4.146 15.119 839 H2 DA 99 2H DA 99 -8.725 0.102 18.310 840 H5' DA 100 1H5* DA 100 -11.107 -3.571 12.159 841 H5'' DA 100 2H5* DA 100 -11.812 -4.885 11.181 842 H4' DA 100 H4* DA 100 -13.095 -3.024 10.594 843 H3' DA 100 H3* DA 100 -11.264 -4.039 8.644 844 H2' DA 100 1H2* DA 100 -9.971 -2.182 8.492 845 H2'' DA 100 2H2* DA 100 -11.268 -1.606 7.393 846 H1' DA 100 H1* DA 100 -12.330 -0.409 9.162 847 H8 DA 100 8H DA 100 -8.523 -0.912 9.183 848 H61 DA 100 1H6 DA 100 -8.243 5.053 10.904 849 H62 DA 100 2H6 DA 100 -7.294 3.654 10.422 850 H2 DA 100 2H DA 100 -12.499 3.820 10.888 851 H5' DA 101 1H5* DA 101 -12.775 -0.556 6.664 852 H5'' DA 101 2H5* DA 101 -14.077 0.346 7.467 853 H4' DA 101 H4* DA 101 -15.348 0.411 5.333 854 H3' DA 101 H3* DA 101 -14.014 -1.744 4.438 855 HO3' DA 101 H3T DA 101 -14.495 0.573 2.841 856 H2' DA 101 1H2* DA 101 -11.826 -0.948 4.735 857 H2'' DA 101 2H2* DA 101 -12.065 -0.515 3.009 858 H1' DA 101 H1* DA 101 -12.366 1.727 3.489 859 H8 DA 101 8H DA 101 -10.067 -0.335 5.452 860 H61 DA 101 1H6 DA 101 -7.716 4.885 7.826 861 H62 DA 101 2H6 DA 101 -7.459 3.157 7.622 862 H2 DA 101 2H DA 101 -11.579 5.879 5.906 Start of MODEL 4 1 H1 MET 1 1H MET 1 -17.294 -21.628 -0.164 2 H2 MET 1 2H MET 1 -16.209 -21.802 1.063 3 H3 MET 1 3H MET 1 -16.330 -22.957 -0.105 4 HA MET 1 HA MET 1 -15.442 -20.192 -0.525 5 HB2 MET 1 2HB MET 1 -13.218 -21.109 -0.913 6 HB3 MET 1 1HB MET 1 -13.783 -21.499 0.720 7 HG2 MET 1 2HG MET 1 -14.403 -23.772 -0.038 8 HG3 MET 1 1HG MET 1 -13.896 -23.374 -1.677 9 HE1 MET 1 1HE MET 1 -12.800 -24.103 1.993 10 HE2 MET 1 2HE MET 1 -11.041 -23.875 1.934 11 HE3 MET 1 3HE MET 1 -12.118 -22.472 1.775 12 H SER 2 H SER 2 -14.455 -19.858 -2.677 13 HA SER 2 HA SER 2 -15.486 -21.687 -4.771 14 HB2 SER 2 2HB SER 2 -16.312 -19.744 -6.053 15 HB3 SER 2 1HB SER 2 -17.177 -19.944 -4.515 16 HG SER 2 HG SER 2 -16.542 -17.772 -4.906 17 H GLU 3 H GLU 3 -12.842 -20.270 -3.437 18 HA GLU 3 HA GLU 3 -11.357 -20.359 -6.004 19 HB2 GLU 3 2HB GLU 3 -11.202 -18.090 -3.978 20 HB3 GLU 3 1HB GLU 3 -10.100 -18.325 -5.348 21 HG2 GLU 3 2HG GLU 3 -12.019 -18.128 -6.909 22 HG3 GLU 3 1HG GLU 3 -13.098 -17.830 -5.529 23 H GLN 4 H GLN 4 -9.009 -20.581 -5.651 24 HA GLN 4 HA GLN 4 -8.496 -22.143 -3.168 25 HB2 GLN 4 2HB GLN 4 -7.085 -22.104 -5.855 26 HB3 GLN 4 1HB GLN 4 -6.653 -23.146 -4.491 27 HG2 GLN 4 2HG GLN 4 -9.351 -23.177 -5.925 28 HG3 GLN 4 1HG GLN 4 -8.036 -24.309 -6.226 29 HE21 GLN 4 1HE2 GLN 4 -10.393 -25.993 -3.896 30 HE22 GLN 4 2HE2 GLN 4 -10.447 -25.368 -5.532 31 H LEU 5 H LEU 5 -7.796 -19.132 -4.648 32 HA LEU 5 HA LEU 5 -5.300 -18.816 -3.033 33 HB2 LEU 5 2HB LEU 5 -6.246 -17.576 -5.636 34 HB3 LEU 5 1HB LEU 5 -4.950 -16.870 -4.663 35 HG LEU 5 HG LEU 5 -4.059 -18.145 -6.512 36 HD11 LEU 5 1HD1 LEU 5 -3.539 -19.588 -3.876 37 HD12 LEU 5 2HD1 LEU 5 -2.470 -19.533 -5.287 38 HD13 LEU 5 3HD1 LEU 5 -2.800 -18.046 -4.369 39 HD21 LEU 5 1HD2 LEU 5 -4.274 -20.506 -6.781 40 HD22 LEU 5 2HD2 LEU 5 -5.190 -20.672 -5.278 41 HD23 LEU 5 3HD2 LEU 5 -5.915 -19.833 -6.681 42 H THR 6 H THR 6 -5.148 -17.138 -1.648 43 HA THR 6 HA THR 6 -7.432 -15.242 -1.445 44 HB THR 6 HB THR 6 -7.709 -16.912 0.290 45 HG1 THR 6 1HG THR 6 -7.648 -15.501 2.038 46 HG21 THR 6 1HG2 THR 6 -4.865 -16.191 1.126 47 HG22 THR 6 2HG2 THR 6 -5.994 -17.191 2.067 48 HG23 THR 6 3HG2 THR 6 -5.409 -17.759 0.495 49 H ASP 7 H ASP 7 -6.743 -13.279 -0.042 50 HA ASP 7 HA ASP 7 -4.535 -12.030 -1.341 51 HB2 ASP 7 2HB ASP 7 -5.988 -11.370 1.250 52 HB3 ASP 7 1HB ASP 7 -4.877 -10.279 0.413 53 H GLN 8 H GLN 8 -4.730 -14.060 1.521 54 HA GLN 8 HA GLN 8 -2.384 -13.127 2.835 55 HB2 GLN 8 2HB GLN 8 -4.304 -14.568 3.727 56 HB3 GLN 8 1HB GLN 8 -3.519 -15.941 2.919 57 HG2 GLN 8 2HG GLN 8 -1.444 -15.492 4.221 58 HG3 GLN 8 1HG GLN 8 -2.274 -14.159 5.048 59 HE21 GLN 8 1HE2 GLN 8 -2.567 -16.918 7.422 60 HE22 GLN 8 2HE2 GLN 8 -1.379 -15.769 6.845 61 H VAL 9 H VAL 9 -2.907 -15.681 0.351 62 HA VAL 9 HA VAL 9 -0.166 -16.645 0.661 63 HB VAL 9 HB VAL 9 -1.860 -18.271 0.223 64 HG11 VAL 9 1HG1 VAL 9 -2.561 -16.613 -2.221 65 HG12 VAL 9 2HG1 VAL 9 -3.203 -18.239 -1.863 66 HG13 VAL 9 3HG1 VAL 9 -3.551 -16.890 -0.761 67 HG21 VAL 9 1HG2 VAL 9 0.335 -18.638 -0.897 68 HG22 VAL 9 2HG2 VAL 9 -1.016 -19.375 -1.781 69 HG23 VAL 9 3HG2 VAL 9 -0.312 -17.854 -2.362 70 H LEU 10 H LEU 10 -1.888 -14.365 -1.419 71 HA LEU 10 HA LEU 10 0.132 -14.193 -3.459 72 HB2 LEU 10 2HB LEU 10 -2.155 -12.508 -2.455 73 HB3 LEU 10 1HB LEU 10 -0.906 -11.715 -3.427 74 HG LEU 10 HG LEU 10 -1.216 -13.206 -5.260 75 HD11 LEU 10 1HD1 LEU 10 -3.296 -14.591 -3.536 76 HD12 LEU 10 2HD1 LEU 10 -3.002 -14.915 -5.265 77 HD13 LEU 10 3HD1 LEU 10 -1.741 -15.289 -4.070 78 HD21 LEU 10 1HD2 LEU 10 -3.889 -12.263 -4.138 79 HD22 LEU 10 2HD2 LEU 10 -2.751 -11.266 -5.078 80 HD23 LEU 10 3HD2 LEU 10 -3.571 -12.641 -5.849 81 H VAL 11 H VAL 11 -0.234 -12.795 -0.222 82 HA VAL 11 HA VAL 11 1.889 -10.852 -0.534 83 HB VAL 11 HB VAL 11 0.412 -11.993 1.861 84 HG11 VAL 11 1HG1 VAL 11 2.489 -9.770 1.702 85 HG12 VAL 11 2HG1 VAL 11 1.430 -10.056 3.103 86 HG13 VAL 11 3HG1 VAL 11 2.631 -11.277 2.638 87 HG21 VAL 11 1HG2 VAL 11 -0.848 -10.543 0.259 88 HG22 VAL 11 2HG2 VAL 11 -0.679 -9.818 1.869 89 HG23 VAL 11 3HG2 VAL 11 0.354 -9.259 0.529 90 H GLU 12 H GLU 12 1.721 -14.223 0.752 91 HA GLU 12 HA GLU 12 4.367 -14.085 1.880 92 HB2 GLU 12 2HB GLU 12 2.724 -16.491 0.997 93 HB3 GLU 12 1HB GLU 12 4.206 -16.541 1.975 94 HG2 GLU 12 2HG GLU 12 3.032 -14.968 3.616 95 HG3 GLU 12 1HG GLU 12 1.550 -15.257 2.709 96 H ARG 13 H ARG 13 3.120 -14.809 -1.361 97 HA ARG 13 HA ARG 13 5.546 -16.031 -2.347 98 HB2 ARG 13 2HB ARG 13 3.117 -14.753 -3.642 99 HB3 ARG 13 1HB ARG 13 4.454 -15.426 -4.596 100 HG2 ARG 13 2HG ARG 13 4.155 -17.616 -3.603 101 HG3 ARG 13 1HG ARG 13 2.903 -16.999 -2.499 102 HD2 ARG 13 2HD ARG 13 1.474 -16.426 -4.425 103 HD3 ARG 13 1HD ARG 13 2.727 -17.007 -5.540 104 HE ARG 13 HE ARG 13 2.140 -19.103 -3.734 105 HH11 ARG 13 1HH1 ARG 13 0.527 -17.290 -6.314 106 HH12 ARG 13 2HH1 ARG 13 -0.498 -18.632 -6.766 107 HH21 ARG 13 1HH2 ARG 13 0.790 -20.828 -4.350 108 HH22 ARG 13 2HH2 ARG 13 -0.348 -20.625 -5.663 109 H VAL 14 H VAL 14 4.358 -12.619 -2.307 110 HA VAL 14 HA VAL 14 6.636 -11.773 -3.875 111 HB VAL 14 HB VAL 14 4.818 -10.434 -4.142 112 HG11 VAL 14 1HG1 VAL 14 4.525 -9.995 -1.159 113 HG12 VAL 14 2HG1 VAL 14 3.513 -9.336 -2.484 114 HG13 VAL 14 3HG1 VAL 14 3.512 -11.072 -2.164 115 HG21 VAL 14 1HG2 VAL 14 6.890 -9.085 -3.836 116 HG22 VAL 14 2HG2 VAL 14 5.430 -8.198 -3.337 117 HG23 VAL 14 3HG2 VAL 14 6.483 -8.899 -2.105 118 H GLN 15 H GLN 15 6.210 -12.456 -0.446 119 HA GLN 15 HA GLN 15 8.630 -11.068 0.342 120 HB2 GLN 15 2HB GLN 15 7.153 -13.430 1.576 121 HB3 GLN 15 1HB GLN 15 8.570 -12.635 2.286 122 HG2 GLN 15 2HG GLN 15 7.334 -10.466 2.237 123 HG3 GLN 15 1HG GLN 15 5.888 -11.325 1.694 124 HE21 GLN 15 1HE2 GLN 15 5.662 -10.929 5.399 125 HE22 GLN 15 2HE2 GLN 15 5.635 -9.908 3.983 126 H LYS 16 H LYS 16 7.911 -14.230 -1.173 127 HA LYS 16 HA LYS 16 10.636 -15.198 -0.870 128 HB2 LYS 16 2HB LYS 16 8.301 -16.147 -2.580 129 HB3 LYS 16 1HB LYS 16 9.811 -17.025 -2.314 130 HG2 LYS 16 2HG LYS 16 7.721 -16.324 -0.221 131 HG3 LYS 16 1HG LYS 16 8.083 -17.935 -0.868 132 HD2 LYS 16 2HD LYS 16 10.363 -17.785 0.115 133 HD3 LYS 16 1HD LYS 16 9.941 -16.184 0.784 134 HE2 LYS 16 2HE LYS 16 8.104 -17.154 2.069 135 HE3 LYS 16 1HE LYS 16 8.428 -18.750 1.378 136 HZ1 LYS 16 1HZ LYS 16 9.392 -18.496 3.562 137 HZ2 LYS 16 2HZ LYS 16 10.579 -18.706 2.440 138 HZ3 LYS 16 3HZ LYS 16 10.292 -17.212 3.066 139 H GLY 17 H GLY 17 9.105 -12.958 -2.969 140 HA2 GLY 17 2HA GLY 17 10.614 -11.624 -4.311 141 HA3 GLY 17 3HA GLY 17 11.492 -13.100 -4.755 142 H ASP 18 H ASP 18 8.225 -13.897 -4.767 143 HA ASP 18 HA ASP 18 8.087 -13.791 -7.684 144 HB2 ASP 18 2HB ASP 18 6.494 -15.003 -5.433 145 HB3 ASP 18 1HB ASP 18 5.717 -14.767 -6.987 146 H GLN 19 H GLN 19 8.115 -11.550 -8.083 147 HA GLN 19 HA GLN 19 6.275 -9.694 -6.925 148 HB2 GLN 19 2HB GLN 19 7.748 -9.699 -9.593 149 HB3 GLN 19 1HB GLN 19 6.899 -8.297 -8.905 150 HG2 GLN 19 2HG GLN 19 8.380 -8.354 -6.930 151 HG3 GLN 19 1HG GLN 19 9.248 -9.735 -7.608 152 HE21 GLN 19 1HE2 GLN 19 11.286 -6.774 -8.459 153 HE22 GLN 19 2HE2 GLN 19 10.817 -7.655 -7.020 154 H LYS 20 H LYS 20 5.786 -12.234 -9.229 155 HA LYS 20 HA LYS 20 3.653 -11.046 -10.729 156 HB2 LYS 20 2HB LYS 20 3.190 -13.364 -11.420 157 HB3 LYS 20 1HB LYS 20 4.907 -12.954 -11.508 158 HG2 LYS 20 2HG LYS 20 5.084 -15.011 -10.557 159 HG3 LYS 20 1HG LYS 20 4.986 -14.040 -9.081 160 HD2 LYS 20 2HD LYS 20 2.498 -14.514 -9.028 161 HD3 LYS 20 1HD LYS 20 2.709 -15.550 -10.447 162 HE2 LYS 20 2HE LYS 20 4.014 -15.928 -7.722 163 HE3 LYS 20 1HE LYS 20 2.670 -16.877 -8.384 164 HZ1 LYS 20 1HZ LYS 20 4.166 -17.566 -10.164 165 HZ2 LYS 20 2HZ LYS 20 5.418 -16.779 -9.428 166 HZ3 LYS 20 3HZ LYS 20 4.696 -18.045 -8.685 167 H ALA 21 H ALA 21 3.821 -12.529 -7.522 168 HA ALA 21 HA ALA 21 0.929 -12.823 -7.313 169 HB1 ALA 21 1HB ALA 21 1.451 -13.411 -4.983 170 HB2 ALA 21 2HB ALA 21 2.500 -14.294 -6.111 171 HB3 ALA 21 3HB ALA 21 3.138 -12.892 -5.218 172 H PHE 22 H PHE 22 3.414 -10.405 -6.391 173 HA PHE 22 HA PHE 22 1.630 -8.687 -4.952 174 HB2 PHE 22 2HB PHE 22 4.078 -8.627 -4.830 175 HB3 PHE 22 1HB PHE 22 4.170 -8.067 -6.493 176 HD1 PHE 22 1HD PHE 22 4.481 -5.753 -6.772 177 HD2 PHE 22 2HD PHE 22 2.378 -7.172 -3.301 178 HE1 PHE 22 1HE PHE 22 4.309 -3.428 -5.922 179 HE2 PHE 22 2HE PHE 22 2.208 -4.853 -2.455 180 HZ PHE 22 HZ PHE 22 3.150 -2.976 -3.772 181 H ASN 23 H ASN 23 2.424 -9.089 -8.436 182 HA ASN 23 HA ASN 23 1.264 -6.660 -9.348 183 HB2 ASN 23 2HB ASN 23 2.732 -8.174 -10.684 184 HB3 ASN 23 1HB ASN 23 1.424 -9.370 -10.734 185 HD21 ASN 23 1HD2 ASN 23 1.142 -5.896 -12.977 186 HD22 ASN 23 2HD2 ASN 23 2.233 -5.979 -11.606 187 H LEU 24 H LEU 24 -0.122 -9.891 -8.698 188 HA LEU 24 HA LEU 24 -2.726 -9.177 -9.762 189 HB2 LEU 24 2HB LEU 24 -1.809 -11.505 -8.025 190 HB3 LEU 24 1HB LEU 24 -3.355 -11.416 -8.888 191 HG LEU 24 HG LEU 24 -0.626 -11.298 -10.252 192 HD11 LEU 24 1HD1 LEU 24 -2.553 -13.625 -9.917 193 HD12 LEU 24 2HD1 LEU 24 -1.068 -13.628 -10.898 194 HD13 LEU 24 3HD1 LEU 24 -0.965 -13.448 -9.131 195 HD21 LEU 24 1HD2 LEU 24 -2.391 -10.244 -11.567 196 HD22 LEU 24 2HD2 LEU 24 -1.924 -11.792 -12.284 197 HD23 LEU 24 3HD2 LEU 24 -3.439 -11.668 -11.348 198 H LEU 25 H LEU 25 -1.092 -8.953 -6.680 199 HA LEU 25 HA LEU 25 -3.538 -8.591 -5.134 200 HB2 LEU 25 2HB LEU 25 -1.448 -9.688 -4.292 201 HB3 LEU 25 1HB LEU 25 -0.606 -8.141 -4.447 202 HG LEU 25 HG LEU 25 -2.131 -7.141 -2.762 203 HD11 LEU 25 1HD1 LEU 25 -4.157 -8.512 -3.125 204 HD12 LEU 25 2HD1 LEU 25 -3.279 -9.969 -2.602 205 HD13 LEU 25 3HD1 LEU 25 -3.609 -8.666 -1.445 206 HD21 LEU 25 1HD2 LEU 25 -0.016 -8.248 -2.097 207 HD22 LEU 25 2HD2 LEU 25 -1.276 -8.415 -0.851 208 HD23 LEU 25 3HD2 LEU 25 -0.890 -9.791 -1.918 209 H VAL 26 H VAL 26 -1.188 -6.561 -6.832 210 HA VAL 26 HA VAL 26 -1.902 -4.095 -5.485 211 HB VAL 26 HB VAL 26 -0.351 -4.812 -7.983 212 HG11 VAL 26 1HG1 VAL 26 0.211 -2.382 -8.175 213 HG12 VAL 26 2HG1 VAL 26 -1.485 -2.713 -8.553 214 HG13 VAL 26 3HG1 VAL 26 -1.046 -2.024 -6.972 215 HG21 VAL 26 1HG2 VAL 26 0.649 -5.050 -5.678 216 HG22 VAL 26 2HG2 VAL 26 1.498 -3.874 -6.706 217 HG23 VAL 26 3HG2 VAL 26 0.387 -3.312 -5.433 218 H VAL 27 H VAL 27 -2.729 -5.479 -8.726 219 HA VAL 27 HA VAL 27 -4.333 -3.258 -9.480 220 HB VAL 27 HB VAL 27 -3.367 -4.979 -10.991 221 HG11 VAL 27 1HG1 VAL 27 -5.683 -6.705 -10.020 222 HG12 VAL 27 2HG1 VAL 27 -4.552 -7.094 -11.336 223 HG13 VAL 27 3HG1 VAL 27 -3.963 -6.988 -9.660 224 HG21 VAL 27 1HG2 VAL 27 -6.386 -4.672 -11.254 225 HG22 VAL 27 2HG2 VAL 27 -5.180 -3.460 -11.747 226 HG23 VAL 27 3HG2 VAL 27 -5.235 -5.032 -12.561 227 H ARG 28 H ARG 28 -5.027 -5.976 -7.395 228 HA ARG 28 HA ARG 28 -7.904 -5.869 -7.528 229 HB2 ARG 28 2HB ARG 28 -6.722 -7.842 -6.790 230 HB3 ARG 28 1HB ARG 28 -5.889 -6.940 -5.512 231 HG2 ARG 28 2HG ARG 28 -7.968 -6.575 -4.320 232 HG3 ARG 28 1HG ARG 28 -8.905 -7.309 -5.634 233 HD2 ARG 28 2HD ARG 28 -6.785 -8.747 -3.978 234 HD3 ARG 28 1HD ARG 28 -8.535 -8.883 -3.730 235 HE ARG 28 HE ARG 28 -8.231 -9.538 -6.378 236 HH11 ARG 28 1HH1 ARG 28 -6.751 -10.740 -3.382 237 HH12 ARG 28 2HH1 ARG 28 -6.533 -12.353 -4.016 238 HH21 ARG 28 1HH2 ARG 28 -7.911 -11.653 -7.162 239 HH22 ARG 28 2HH2 ARG 28 -7.184 -12.863 -6.132 240 H TYR 29 H TYR 29 -5.484 -4.599 -5.187 241 HA TYR 29 HA TYR 29 -7.578 -3.059 -3.838 242 HB2 TYR 29 2HB TYR 29 -4.668 -3.600 -3.310 243 HB3 TYR 29 1HB TYR 29 -5.552 -2.347 -2.435 244 HD1 TYR 29 1HD TYR 29 -6.912 -2.870 -0.605 245 HD2 TYR 29 2HD TYR 29 -5.695 -6.009 -3.287 246 HE1 TYR 29 1HE TYR 29 -7.961 -4.543 0.887 247 HE2 TYR 29 2HE TYR 29 -6.708 -7.688 -1.777 248 HH TYR 29 HH TYR 29 -8.422 -6.759 1.234 249 H GLN 30 H GLN 30 -5.574 -2.544 -6.541 250 HA GLN 30 HA GLN 30 -4.844 0.159 -6.240 251 HB2 GLN 30 2HB GLN 30 -4.011 -1.305 -8.007 252 HB3 GLN 30 1HB GLN 30 -5.647 -1.495 -8.672 253 HG2 GLN 30 2HG GLN 30 -5.692 0.816 -9.351 254 HG3 GLN 30 1HG GLN 30 -4.141 1.145 -8.533 255 HE21 GLN 30 1HE2 GLN 30 -4.213 -1.084 -12.048 256 HE22 GLN 30 2HE2 GLN 30 -5.637 -0.999 -11.033 257 H HIS 31 H HIS 31 -8.001 -1.312 -6.801 258 HA HIS 31 HA HIS 31 -9.246 1.233 -7.569 259 HB2 HIS 31 2HB HIS 31 -10.426 -1.456 -6.798 260 HB3 HIS 31 1HB HIS 31 -11.328 -0.072 -7.437 261 HD2 HIS 31 2HD HIS 31 -9.189 -3.009 -8.511 262 HE1 HIS 31 1HE HIS 31 -9.946 -0.803 -12.065 263 HE2 HIS 31 2HE HIS 31 -9.030 -2.984 -11.126 264 H LYS 32 H LYS 32 -8.732 -0.649 -4.592 265 HA LYS 32 HA LYS 32 -10.667 1.001 -3.112 266 HB2 LYS 32 2HB LYS 32 -8.813 -1.263 -2.251 267 HB3 LYS 32 1HB LYS 32 -9.952 -0.408 -1.193 268 HG2 LYS 32 2HG LYS 32 -11.286 -2.172 -1.826 269 HG3 LYS 32 1HG LYS 32 -11.707 -0.996 -3.078 270 HD2 LYS 32 2HD LYS 32 -9.643 -2.210 -4.347 271 HD3 LYS 32 1HD LYS 32 -10.097 -3.523 -3.247 272 HE2 LYS 32 2HE LYS 32 -12.501 -3.204 -4.069 273 HE3 LYS 32 1HE LYS 32 -11.842 -2.083 -5.280 274 HZ1 LYS 32 1HZ LYS 32 -12.060 -4.281 -6.188 275 HZ2 LYS 32 2HZ LYS 32 -10.452 -3.923 -6.051 276 HZ3 LYS 32 3HZ LYS 32 -11.161 -4.932 -4.975 277 H VAL 33 H VAL 33 -7.142 0.640 -3.363 278 HA VAL 33 HA VAL 33 -6.517 2.387 -1.173 279 HB VAL 33 HB VAL 33 -5.078 0.585 -2.262 280 HG11 VAL 33 1HG1 VAL 33 -4.458 2.841 -4.214 281 HG12 VAL 33 2HG1 VAL 33 -3.694 1.239 -4.150 282 HG13 VAL 33 3HG1 VAL 33 -5.404 1.389 -4.626 283 HG21 VAL 33 1HG2 VAL 33 -4.194 2.189 -0.616 284 HG22 VAL 33 2HG2 VAL 33 -2.988 1.785 -1.858 285 HG23 VAL 33 3HG2 VAL 33 -3.843 3.339 -1.935 286 H ALA 34 H ALA 34 -7.257 2.830 -4.606 287 HA ALA 34 HA ALA 34 -6.305 5.557 -4.754 288 HB1 ALA 34 1HB ALA 34 -8.258 3.990 -6.491 289 HB2 ALA 34 2HB ALA 34 -7.490 5.540 -6.915 290 HB3 ALA 34 3HB ALA 34 -6.499 4.075 -6.727 291 H SER 35 H SER 35 -9.359 3.978 -3.821 292 HA SER 35 HA SER 35 -10.974 6.356 -3.939 293 HB2 SER 35 2HB SER 35 -11.866 4.043 -3.915 294 HB3 SER 35 1HB SER 35 -11.254 3.834 -2.263 295 HG SER 35 HG SER 35 -13.476 4.463 -2.354 296 H LEU 36 H LEU 36 -8.691 5.015 -1.581 297 HA LEU 36 HA LEU 36 -9.601 6.684 0.601 298 HB2 LEU 36 2HB LEU 36 -8.293 4.487 0.756 299 HB3 LEU 36 1HB LEU 36 -6.872 5.397 0.234 300 HG LEU 36 HG LEU 36 -7.238 6.978 2.179 301 HD11 LEU 36 1HD1 LEU 36 -9.185 4.787 3.027 302 HD12 LEU 36 2HD1 LEU 36 -8.597 6.101 4.067 303 HD13 LEU 36 3HD1 LEU 36 -9.612 6.473 2.660 304 HD21 LEU 36 1HD2 LEU 36 -6.310 5.343 3.815 305 HD22 LEU 36 2HD2 LEU 36 -6.747 4.024 2.701 306 HD23 LEU 36 3HD2 LEU 36 -5.545 5.246 2.214 307 H VAL 37 H VAL 37 -6.904 6.888 -1.773 308 HA VAL 37 HA VAL 37 -5.944 9.314 -0.489 309 HB VAL 37 HB VAL 37 -4.344 7.723 -1.231 310 HG11 VAL 37 1HG1 VAL 37 -3.940 7.248 -3.602 311 HG12 VAL 37 2HG1 VAL 37 -5.551 6.675 -3.093 312 HG13 VAL 37 3HG1 VAL 37 -5.408 8.159 -4.047 313 HG21 VAL 37 1HG2 VAL 37 -4.162 10.027 -3.202 314 HG22 VAL 37 2HG2 VAL 37 -3.899 10.242 -1.461 315 HG23 VAL 37 3HG2 VAL 37 -2.843 9.151 -2.393 316 H SER 38 H SER 38 -8.098 8.612 -3.177 317 HA SER 38 HA SER 38 -7.782 11.066 -4.599 318 HB2 SER 38 2HB SER 38 -10.022 10.620 -5.457 319 HB3 SER 38 1HB SER 38 -9.070 9.124 -5.443 320 HG SER 38 HG SER 38 -11.184 8.858 -4.573 321 H ARG 39 H ARG 39 -8.996 10.407 -1.425 322 HA ARG 39 HA ARG 39 -10.722 12.725 -1.184 323 HB2 ARG 39 2HB ARG 39 -9.442 10.971 0.942 324 HB3 ARG 39 1HB ARG 39 -10.859 12.020 1.129 325 HG2 ARG 39 2HG ARG 39 -12.103 10.623 -0.516 326 HG3 ARG 39 1HG ARG 39 -10.669 9.588 -0.697 327 HD2 ARG 39 2HD ARG 39 -10.780 9.116 1.772 328 HD3 ARG 39 1HD ARG 39 -12.337 9.969 1.808 329 HE ARG 39 HE ARG 39 -12.161 7.884 -0.230 330 HH11 ARG 39 1HH1 ARG 39 -12.924 8.509 3.167 331 HH12 ARG 39 2HH1 ARG 39 -13.920 7.086 3.327 332 HH21 ARG 39 1HH2 ARG 39 -13.463 6.051 -0.002 333 HH22 ARG 39 2HH2 ARG 39 -14.233 5.695 1.528 334 H TYR 40 H TYR 40 -7.327 12.339 -1.263 335 HA TYR 40 HA TYR 40 -6.949 14.793 0.399 336 HB2 TYR 40 2HB TYR 40 -5.137 12.388 0.089 337 HB3 TYR 40 1HB TYR 40 -4.723 13.860 0.973 338 HD1 TYR 40 1HD TYR 40 -6.272 10.626 1.190 339 HD2 TYR 40 2HD TYR 40 -6.221 14.552 2.946 340 HE1 TYR 40 1HE TYR 40 -7.304 9.708 3.248 341 HE2 TYR 40 2HE TYR 40 -7.247 13.638 5.017 342 HH TYR 40 HH TYR 40 -8.077 10.176 5.360 343 H VAL 41 H VAL 41 -6.335 13.214 -2.674 344 HA VAL 41 HA VAL 41 -4.875 15.667 -3.526 345 HB VAL 41 HB VAL 41 -3.342 14.457 -4.855 346 HG11 VAL 41 1HG1 VAL 41 -2.782 14.674 -2.439 347 HG12 VAL 41 2HG1 VAL 41 -3.481 13.061 -2.148 348 HG13 VAL 41 3HG1 VAL 41 -2.048 13.248 -3.183 349 HG21 VAL 41 1HG2 VAL 41 -4.794 11.927 -4.024 350 HG22 VAL 41 2HG2 VAL 41 -4.732 12.643 -5.659 351 HG23 VAL 41 3HG2 VAL 41 -3.259 11.997 -4.929 352 HA PRO 42 HA PRO 42 -7.940 15.859 -6.652 353 HB2 PRO 42 2HB PRO 42 -6.572 16.987 -8.756 354 HB3 PRO 42 1HB PRO 42 -7.036 17.892 -7.276 355 HG2 PRO 42 2HG PRO 42 -4.380 16.551 -7.869 356 HG3 PRO 42 1HG PRO 42 -4.661 18.231 -7.297 357 HD2 PRO 42 2HD PRO 42 -4.027 16.277 -5.564 358 HD3 PRO 42 1HD PRO 42 -5.300 17.459 -5.138 359 H SER 43 H SER 43 -8.667 14.854 -8.606 360 HA SER 43 HA SER 43 -7.696 12.211 -8.922 361 HB2 SER 43 2HB SER 43 -9.376 12.082 -10.719 362 HB3 SER 43 1HB SER 43 -10.033 12.845 -9.254 363 HG SER 43 HG SER 43 -10.563 14.000 -11.162 364 H GLY 44 H GLY 44 -6.521 15.131 -10.317 365 HA2 GLY 44 2HA GLY 44 -5.572 13.961 -12.807 366 HA3 GLY 44 3HA GLY 44 -5.181 15.557 -12.131 367 H ASP 45 H ASP 45 -4.477 13.968 -9.506 368 HA ASP 45 HA ASP 45 -1.756 13.117 -10.392 369 HB2 ASP 45 2HB ASP 45 -2.591 14.732 -7.955 370 HB3 ASP 45 1HB ASP 45 -0.979 14.060 -8.202 371 H VAL 46 H VAL 46 -4.659 12.116 -8.965 372 HA VAL 46 HA VAL 46 -3.628 10.744 -6.718 373 HB VAL 46 HB VAL 46 -5.989 11.434 -7.049 374 HG11 VAL 46 1HG1 VAL 46 -7.546 9.934 -8.119 375 HG12 VAL 46 2HG1 VAL 46 -6.398 10.555 -9.333 376 HG13 VAL 46 3HG1 VAL 46 -6.229 8.893 -8.700 377 HG21 VAL 46 1HG2 VAL 46 -5.504 8.516 -6.383 378 HG22 VAL 46 2HG2 VAL 46 -5.293 9.908 -5.280 379 HG23 VAL 46 3HG2 VAL 46 -6.912 9.483 -5.891 380 HA PRO 47 HA PRO 47 -3.440 6.753 -9.316 381 HB2 PRO 47 2HB PRO 47 -2.618 6.874 -11.917 382 HB3 PRO 47 1HB PRO 47 -4.345 7.032 -11.448 383 HG2 PRO 47 2HG PRO 47 -2.352 9.259 -11.970 384 HG3 PRO 47 1HG PRO 47 -3.983 9.056 -12.693 385 HD2 PRO 47 2HD PRO 47 -3.601 10.650 -10.561 386 HD3 PRO 47 1HD PRO 47 -5.049 9.596 -10.652 387 H ASP 48 H ASP 48 -1.321 9.543 -9.647 388 HA ASP 48 HA ASP 48 1.105 7.934 -9.921 389 HB2 ASP 48 2HB ASP 48 0.847 10.195 -10.899 390 HB3 ASP 48 1HB ASP 48 0.726 10.873 -9.264 391 H VAL 49 H VAL 49 -0.780 9.438 -7.301 392 HA VAL 49 HA VAL 49 1.286 8.965 -5.294 393 HB VAL 49 HB VAL 49 -1.687 9.539 -4.971 394 HG11 VAL 49 1HG1 VAL 49 0.660 9.774 -3.050 395 HG12 VAL 49 2HG1 VAL 49 -1.002 10.311 -2.717 396 HG13 VAL 49 3HG1 VAL 49 -0.661 8.581 -2.958 397 HG21 VAL 49 1HG2 VAL 49 -0.522 11.376 -6.193 398 HG22 VAL 49 2HG2 VAL 49 -0.979 11.877 -4.557 399 HG23 VAL 49 3HG2 VAL 49 0.709 11.440 -4.915 400 H VAL 50 H VAL 50 -1.479 7.198 -6.650 401 HA VAL 50 HA VAL 50 -1.653 5.195 -4.603 402 HB VAL 50 HB VAL 50 -2.484 5.378 -7.514 403 HG11 VAL 50 1HG1 VAL 50 -2.848 3.036 -5.605 404 HG12 VAL 50 2HG1 VAL 50 -3.799 3.268 -7.091 405 HG13 VAL 50 3HG1 VAL 50 -2.047 3.024 -7.193 406 HG21 VAL 50 1HG2 VAL 50 -4.723 5.463 -6.531 407 HG22 VAL 50 2HG2 VAL 50 -4.048 5.161 -4.906 408 HG23 VAL 50 3HG2 VAL 50 -3.697 6.685 -5.748 409 H GLN 51 H GLN 51 0.218 5.427 -7.686 410 HA GLN 51 HA GLN 51 1.283 2.758 -7.470 411 HB2 GLN 51 2HB GLN 51 1.102 4.073 -9.578 412 HB3 GLN 51 1HB GLN 51 2.306 5.215 -8.952 413 HG2 GLN 51 2HG GLN 51 3.972 3.393 -8.808 414 HG3 GLN 51 1HG GLN 51 2.767 2.231 -9.378 415 HE21 GLN 51 1HE2 GLN 51 4.734 3.014 -12.373 416 HE22 GLN 51 2HE2 GLN 51 4.912 2.138 -10.866 417 H GLU 52 H GLU 52 2.312 5.969 -6.243 418 HA GLU 52 HA GLU 52 4.934 5.083 -5.475 419 HB2 GLU 52 2HB GLU 52 4.216 7.463 -5.776 420 HB3 GLU 52 1HB GLU 52 3.255 7.324 -4.283 421 HG2 GLU 52 2HG GLU 52 5.340 6.681 -3.054 422 HG3 GLU 52 1HG GLU 52 6.264 6.915 -4.547 423 H ALA 53 H ALA 53 1.723 5.023 -3.906 424 HA ALA 53 HA ALA 53 2.720 4.217 -1.319 425 HB1 ALA 53 1HB ALA 53 -0.013 3.881 -2.624 426 HB2 ALA 53 2HB ALA 53 0.352 3.684 -0.890 427 HB3 ALA 53 3HB ALA 53 0.515 5.276 -1.664 428 H PHE 54 H PHE 54 1.981 2.514 -4.342 429 HA PHE 54 HA PHE 54 2.059 -0.117 -3.074 430 HB2 PHE 54 2HB PHE 54 1.833 0.963 -5.876 431 HB3 PHE 54 1HB PHE 54 2.232 -0.733 -5.631 432 HD1 PHE 54 1HD PHE 54 -0.360 1.158 -6.556 433 HD2 PHE 54 2HD PHE 54 0.592 -1.629 -3.423 434 HE1 PHE 54 1HE PHE 54 -2.754 0.580 -6.344 435 HE2 PHE 54 2HE PHE 54 -1.827 -2.189 -3.194 436 HZ PHE 54 HZ PHE 54 -3.485 -1.097 -4.658 437 H ILE 55 H ILE 55 4.386 2.091 -4.633 438 HA ILE 55 HA ILE 55 6.471 0.073 -4.806 439 HB ILE 55 HB ILE 55 6.497 3.119 -4.755 440 HG12 ILE 55 2HG1 ILE 55 5.622 2.420 -6.832 441 HG13 ILE 55 1HG1 ILE 55 7.334 2.705 -7.145 442 HG21 ILE 55 1HG2 ILE 55 8.821 1.185 -5.103 443 HG22 ILE 55 2HG2 ILE 55 8.881 2.929 -5.448 444 HG23 ILE 55 3HG2 ILE 55 8.595 2.370 -3.793 445 HD11 ILE 55 1HD1 ILE 55 5.953 0.024 -6.731 446 HD12 ILE 55 2HD1 ILE 55 6.681 0.641 -8.228 447 HD13 ILE 55 3HD1 ILE 55 7.725 0.222 -6.852 448 H LYS 56 H LYS 56 5.441 2.457 -2.371 449 HA LYS 56 HA LYS 56 7.489 1.783 -0.458 450 HB2 LYS 56 2HB LYS 56 4.737 3.077 -0.276 451 HB3 LYS 56 1HB LYS 56 5.819 2.879 1.121 452 HG2 LYS 56 2HG LYS 56 7.556 4.167 0.017 453 HG3 LYS 56 1HG LYS 56 6.592 4.314 -1.464 454 HD2 LYS 56 2HD LYS 56 4.983 5.723 -0.448 455 HD3 LYS 56 1HD LYS 56 5.443 5.222 1.184 456 HE2 LYS 56 2HE LYS 56 6.281 7.459 0.837 457 HE3 LYS 56 1HE LYS 56 7.641 6.329 0.913 458 HZ1 LYS 56 1HZ LYS 56 7.652 6.365 -1.533 459 HZ2 LYS 56 2HZ LYS 56 6.471 7.511 -1.516 460 HZ3 LYS 56 3HZ LYS 56 7.940 7.845 -0.879 461 H ALA 57 H ALA 57 4.391 0.343 -1.380 462 HA ALA 57 HA ALA 57 4.164 -1.302 0.989 463 HB1 ALA 57 1HB ALA 57 2.919 -1.597 -1.770 464 HB2 ALA 57 2HB ALA 57 2.414 -2.448 -0.297 465 HB3 ALA 57 3HB ALA 57 2.222 -0.680 -0.416 466 H TYR 58 H TYR 58 5.755 -1.666 -2.208 467 HA TYR 58 HA TYR 58 6.197 -4.506 -1.897 468 HB2 TYR 58 2HB TYR 58 6.219 -3.456 -4.096 469 HB3 TYR 58 1HB TYR 58 7.524 -2.368 -3.604 470 HD1 TYR 58 1HD TYR 58 9.773 -2.981 -3.874 471 HD2 TYR 58 2HD TYR 58 6.709 -5.990 -4.096 472 HE1 TYR 58 1HE TYR 58 11.472 -4.646 -4.539 473 HE2 TYR 58 2HE TYR 58 8.410 -7.673 -4.777 474 HH TYR 58 HH TYR 58 11.878 -6.835 -5.084 475 H ARG 59 H ARG 59 8.177 -1.579 -1.384 476 HA ARG 59 HA ARG 59 10.557 -2.979 -0.608 477 HB2 ARG 59 2HB ARG 59 9.616 -0.121 -0.234 478 HB3 ARG 59 1HB ARG 59 11.281 -0.676 0.056 479 HG2 ARG 59 2HG ARG 59 11.561 -1.308 -2.259 480 HG3 ARG 59 1HG ARG 59 9.836 -1.080 -2.600 481 HD2 ARG 59 2HD ARG 59 11.035 0.814 -3.466 482 HD3 ARG 59 1HD ARG 59 10.032 1.317 -2.097 483 HE ARG 59 HE ARG 59 12.601 0.687 -1.082 484 HH11 ARG 59 1HH1 ARG 59 11.127 3.053 -3.245 485 HH12 ARG 59 2HH1 ARG 59 12.300 4.301 -2.880 486 HH21 ARG 59 1HH2 ARG 59 14.119 2.332 -0.610 487 HH22 ARG 59 2HH2 ARG 59 13.993 3.884 -1.401 488 H ALA 60 H ALA 60 7.640 -2.220 1.069 489 HA ALA 60 HA ALA 60 8.965 -2.841 3.663 490 HB1 ALA 60 1HB ALA 60 7.779 -0.680 3.537 491 HB2 ALA 60 2HB ALA 60 6.277 -1.539 3.121 492 HB3 ALA 60 3HB ALA 60 7.032 -1.782 4.716 493 H LEU 61 H LEU 61 7.251 -4.401 1.201 494 HA LEU 61 HA LEU 61 5.426 -5.918 2.819 495 HB2 LEU 61 2HB LEU 61 6.151 -5.698 0.015 496 HB3 LEU 61 1HB LEU 61 6.134 -7.402 0.484 497 HG LEU 61 HG LEU 61 3.850 -5.446 1.013 498 HD11 LEU 61 1HD1 LEU 61 4.194 -7.644 -1.062 499 HD12 LEU 61 2HD1 LEU 61 2.712 -6.694 -0.780 500 HD13 LEU 61 3HD1 LEU 61 4.180 -5.894 -1.383 501 HD21 LEU 61 1HD2 LEU 61 2.598 -7.544 1.479 502 HD22 LEU 61 2HD2 LEU 61 4.125 -8.457 1.312 503 HD23 LEU 61 3HD2 LEU 61 3.908 -7.282 2.641 504 H ASP 62 H ASP 62 8.836 -6.248 1.980 505 HA ASP 62 HA ASP 62 9.035 -8.943 3.042 506 HB2 ASP 62 2HB ASP 62 10.579 -7.995 1.327 507 HB3 ASP 62 1HB ASP 62 11.174 -6.835 2.521 508 H SER 63 H SER 63 8.375 -6.028 4.515 509 HA SER 63 HA SER 63 9.554 -6.942 7.096 510 HB2 SER 63 2HB SER 63 10.492 -4.795 6.192 511 HB3 SER 63 1HB SER 63 8.862 -4.099 6.266 512 HG SER 63 HG SER 63 8.882 -4.552 8.518 513 H PHE 64 H PHE 64 6.751 -6.733 5.287 514 HA PHE 64 HA PHE 64 4.867 -6.044 7.376 515 HB2 PHE 64 2HB PHE 64 4.310 -5.742 5.014 516 HB3 PHE 64 1HB PHE 64 4.640 -7.436 4.693 517 HD1 PHE 64 1HD PHE 64 2.836 -8.885 4.532 518 HD2 PHE 64 2HD PHE 64 2.462 -5.345 6.937 519 HE1 PHE 64 1HE PHE 64 0.462 -9.447 4.990 520 HE2 PHE 64 2HE PHE 64 0.090 -5.915 7.404 521 HZ PHE 64 HZ PHE 64 -0.904 -7.972 6.441 522 H ASP 65 H ASP 65 3.903 -7.365 8.840 523 HA ASP 65 HA ASP 65 4.753 -10.182 8.978 524 HB2 ASP 65 2HB ASP 65 4.732 -8.870 11.023 525 HB3 ASP 65 1HB ASP 65 3.035 -8.434 10.767 526 H ILE 66 H ILE 66 3.701 -11.616 7.763 527 HA ILE 66 HA ILE 66 1.335 -11.041 6.334 528 HB ILE 66 HB ILE 66 2.922 -12.664 5.530 529 HG12 ILE 66 2HG1 ILE 66 1.523 -14.681 5.174 530 HG13 ILE 66 1HG1 ILE 66 0.397 -14.135 6.413 531 HG21 ILE 66 1HG2 ILE 66 2.364 -14.245 8.066 532 HG22 ILE 66 2HG2 ILE 66 3.357 -14.789 6.689 533 HG23 ILE 66 3HG2 ILE 66 3.884 -13.403 7.647 534 HD11 ILE 66 1HD1 ILE 66 1.144 -12.610 3.879 535 HD12 ILE 66 2HD1 ILE 66 -0.363 -13.523 4.115 536 HD13 ILE 66 3HD1 ILE 66 -0.049 -12.070 5.088 537 H ASN 67 H ASN 67 1.778 -12.110 9.612 538 HA ASN 67 HA ASN 67 -0.771 -13.487 9.772 539 HB2 ASN 67 2HB ASN 67 1.162 -12.614 11.949 540 HB3 ASN 67 1HB ASN 67 -0.214 -13.738 12.111 541 HD21 ASN 67 1HD2 ASN 67 3.258 -15.005 10.312 542 HD22 ASN 67 2HD2 ASN 67 3.020 -13.315 10.727 543 H ARG 68 H ARG 68 -0.102 -10.320 9.414 544 HA ARG 68 HA ARG 68 -2.286 -9.327 11.185 545 HB2 ARG 68 2HB ARG 68 -0.211 -7.788 9.593 546 HB3 ARG 68 1HB ARG 68 -1.289 -7.124 10.825 547 HG2 ARG 68 2HG ARG 68 0.946 -9.145 11.265 548 HG3 ARG 68 1HG ARG 68 0.955 -7.438 11.748 549 HD2 ARG 68 2HD ARG 68 -0.833 -7.813 13.339 550 HD3 ARG 68 1HD ARG 68 -1.003 -9.505 12.817 551 HE ARG 68 HE ARG 68 1.590 -9.473 13.508 552 HH11 ARG 68 1HH1 ARG 68 -1.249 -8.248 15.228 553 HH12 ARG 68 2HH1 ARG 68 -0.542 -8.497 16.806 554 HH21 ARG 68 1HH2 ARG 68 2.481 -9.790 15.571 555 HH22 ARG 68 2HH2 ARG 68 1.561 -9.371 17.002 556 H LYS 69 H LYS 69 -3.493 -7.388 10.055 557 HA LYS 69 HA LYS 69 -4.784 -8.551 7.746 558 HB2 LYS 69 2HB LYS 69 -6.022 -7.259 9.451 559 HB3 LYS 69 1HB LYS 69 -5.122 -5.805 9.010 560 HG2 LYS 69 2HG LYS 69 -6.090 -5.741 6.833 561 HG3 LYS 69 1HG LYS 69 -6.721 -7.398 6.961 562 HD2 LYS 69 2HD LYS 69 -7.627 -5.187 8.835 563 HD3 LYS 69 1HD LYS 69 -8.402 -5.464 7.262 564 HE2 LYS 69 2HE LYS 69 -8.938 -7.773 7.913 565 HE3 LYS 69 1HE LYS 69 -8.103 -7.541 9.466 566 HZ1 LYS 69 1HZ LYS 69 -10.478 -7.254 9.651 567 HZ2 LYS 69 2HZ LYS 69 -9.687 -5.860 10.007 568 HZ3 LYS 69 3HZ LYS 69 -10.454 -6.017 8.560 569 H PHE 70 H PHE 70 -4.345 -8.290 5.666 570 HA PHE 70 HA PHE 70 -1.988 -6.850 4.829 571 HB2 PHE 70 2HB PHE 70 -3.005 -7.598 2.525 572 HB3 PHE 70 1HB PHE 70 -2.348 -8.800 3.633 573 HD1 PHE 70 1HD PHE 70 -3.648 -10.484 4.631 574 HD2 PHE 70 2HD PHE 70 -5.549 -7.358 2.364 575 HE1 PHE 70 1HE PHE 70 -5.779 -11.731 4.709 576 HE2 PHE 70 2HE PHE 70 -7.689 -8.607 2.456 577 HZ PHE 70 HZ PHE 70 -7.810 -10.788 3.627 578 H SER 71 H SER 71 -5.499 -6.170 4.708 579 HA SER 71 HA SER 71 -5.097 -4.002 2.802 580 HB2 SER 71 2HB SER 71 -7.533 -3.687 3.104 581 HB3 SER 71 1HB SER 71 -7.071 -5.354 2.687 582 HG SER 71 HG SER 71 -8.583 -5.255 4.422 583 H THR 72 H THR 72 -5.708 -4.254 6.345 584 HA THR 72 HA THR 72 -6.110 -1.461 6.782 585 HB THR 72 HB THR 72 -5.271 -3.847 8.402 586 HG1 THR 72 1HG THR 72 -7.280 -3.359 9.362 587 HG21 THR 72 1HG2 THR 72 -5.410 -2.496 10.458 588 HG22 THR 72 2HG2 THR 72 -4.026 -2.038 9.459 589 HG23 THR 72 3HG2 THR 72 -5.487 -1.010 9.462 590 H TRP 73 H TRP 73 -3.176 -3.476 6.574 591 HA TRP 73 HA TRP 73 -1.388 -1.324 7.372 592 HB2 TRP 73 2HB TRP 73 -0.801 -3.587 7.829 593 HB3 TRP 73 1HB TRP 73 -1.067 -4.059 6.151 594 HD1 TRP 73 HD TRP 73 1.531 -2.344 8.380 595 HE1 TRP 73 1HE TRP 73 3.780 -2.354 7.192 596 HE3 TRP 73 3HE TRP 73 -0.036 -3.868 3.765 597 HZ2 TRP 73 2HZ TRP 73 4.805 -3.062 4.555 598 HZ3 TRP 73 3HZ TRP 73 1.573 -4.133 1.925 599 HH2 TRP 73 HH TRP 73 4.010 -3.746 2.314 600 H LEU 74 H LEU 74 -2.855 -2.488 4.362 601 HA LEU 74 HA LEU 74 -1.006 -1.080 2.616 602 HB2 LEU 74 2HB LEU 74 -2.255 -3.049 1.835 603 HB3 LEU 74 1HB LEU 74 -3.783 -2.237 2.176 604 HG LEU 74 HG LEU 74 -3.389 -0.570 0.462 605 HD11 LEU 74 1HD1 LEU 74 -0.749 -1.996 -0.077 606 HD12 LEU 74 2HD1 LEU 74 -1.475 -0.722 -1.088 607 HD13 LEU 74 3HD1 LEU 74 -0.941 -0.342 0.554 608 HD21 LEU 74 1HD2 LEU 74 -2.799 -3.379 -0.544 609 HD22 LEU 74 2HD2 LEU 74 -4.408 -2.731 -0.151 610 HD23 LEU 74 3HD2 LEU 74 -3.477 -2.036 -1.498 611 H TYR 75 H TYR 75 -4.268 -0.405 3.975 612 HA TYR 75 HA TYR 75 -4.614 2.025 2.459 613 HB2 TYR 75 2HB TYR 75 -5.918 1.032 5.018 614 HB3 TYR 75 1HB TYR 75 -6.493 2.391 4.056 615 HD1 TYR 75 1HD TYR 75 -6.193 1.261 1.258 616 HD2 TYR 75 2HD TYR 75 -7.630 -0.523 4.904 617 HE1 TYR 75 1HE TYR 75 -7.633 -0.266 -0.059 618 HE2 TYR 75 2HE TYR 75 -9.076 -2.049 3.585 619 HH TYR 75 HH TYR 75 -9.172 -1.975 0.013 620 H ARG 76 H ARG 76 -3.106 1.243 5.567 621 HA ARG 76 HA ARG 76 -3.004 3.907 6.608 622 HB2 ARG 76 2HB ARG 76 -2.715 1.918 7.990 623 HB3 ARG 76 1HB ARG 76 -1.332 1.393 7.024 624 HG2 ARG 76 2HG ARG 76 -0.674 2.337 9.189 625 HG3 ARG 76 1HG ARG 76 0.018 3.242 7.829 626 HD2 ARG 76 2HD ARG 76 -1.618 5.010 8.112 627 HD3 ARG 76 1HD ARG 76 -2.511 4.055 9.311 628 HE ARG 76 HE ARG 76 -0.437 4.184 10.739 629 HH11 ARG 76 1HH1 ARG 76 -1.112 6.703 8.348 630 HH12 ARG 76 2HH1 ARG 76 -0.207 7.923 9.216 631 HH21 ARG 76 1HH2 ARG 76 0.742 5.766 11.818 632 HH22 ARG 76 2HH2 ARG 76 0.859 7.388 11.173 633 H ILE 77 H ILE 77 -0.996 2.076 4.341 634 HA ILE 77 HA ILE 77 1.202 3.979 4.378 635 HB ILE 77 HB ILE 77 0.430 1.605 2.641 636 HG12 ILE 77 2HG1 ILE 77 2.609 2.142 4.704 637 HG13 ILE 77 1HG1 ILE 77 1.141 1.217 4.986 638 HG21 ILE 77 1HG2 ILE 77 2.655 1.788 1.592 639 HG22 ILE 77 2HG2 ILE 77 1.648 3.183 1.211 640 HG23 ILE 77 3HG2 ILE 77 2.938 3.329 2.436 641 HD11 ILE 77 1HD1 ILE 77 2.975 -0.324 4.601 642 HD12 ILE 77 2HD1 ILE 77 1.857 -0.428 3.225 643 HD13 ILE 77 3HD1 ILE 77 3.392 0.459 3.067 644 H ALA 78 H ALA 78 -1.784 3.537 2.503 645 HA ALA 78 HA ALA 78 -0.896 5.254 0.352 646 HB1 ALA 78 1HB ALA 78 -3.202 4.980 -0.442 647 HB2 ALA 78 2HB ALA 78 -2.482 3.423 0.052 648 HB3 ALA 78 3HB ALA 78 -3.653 4.240 1.115 649 H VAL 79 H VAL 79 -2.674 5.770 3.408 650 HA VAL 79 HA VAL 79 -3.461 8.460 2.559 651 HB VAL 79 HB VAL 79 -4.926 7.168 3.994 652 HG11 VAL 79 1HG1 VAL 79 -4.401 6.732 6.322 653 HG12 VAL 79 2HG1 VAL 79 -3.248 5.899 5.255 654 HG13 VAL 79 3HG1 VAL 79 -2.760 7.397 6.107 655 HG21 VAL 79 1HG2 VAL 79 -4.876 9.675 4.104 656 HG22 VAL 79 2HG2 VAL 79 -5.406 8.924 5.623 657 HG23 VAL 79 3HG2 VAL 79 -3.757 9.555 5.479 658 H ASN 80 H ASN 80 -0.801 6.956 4.385 659 HA ASN 80 HA ASN 80 0.163 9.542 5.297 660 HB2 ASN 80 2HB ASN 80 0.613 7.290 6.397 661 HB3 ASN 80 1HB ASN 80 1.745 6.958 5.079 662 HD21 ASN 80 1HD2 ASN 80 3.927 8.298 7.665 663 HD22 ASN 80 2HD2 ASN 80 3.132 6.812 7.172 664 H THR 81 H THR 81 0.692 7.418 2.473 665 HA THR 81 HA THR 81 2.856 8.958 1.354 666 HB THR 81 HB THR 81 0.799 7.089 0.103 667 HG1 THR 81 1HG THR 81 2.165 6.049 1.476 668 HG21 THR 81 1HG2 THR 81 3.322 8.327 -1.065 669 HG22 THR 81 2HG2 THR 81 2.456 6.941 -1.777 670 HG23 THR 81 3HG2 THR 81 1.649 8.514 -1.662 671 H ALA 82 H ALA 82 -0.654 9.320 1.468 672 HA ALA 82 HA ALA 82 -0.873 11.127 -0.757 673 HB1 ALA 82 1HB ALA 82 -3.109 11.542 0.171 674 HB2 ALA 82 2HB ALA 82 -2.745 9.794 0.236 675 HB3 ALA 82 3HB ALA 82 -2.647 10.789 1.706 676 H LYS 83 H LYS 83 -0.671 11.586 2.796 677 HA LYS 83 HA LYS 83 -0.774 14.461 2.651 678 HB2 LYS 83 2HB LYS 83 0.010 12.447 4.787 679 HB3 LYS 83 1HB LYS 83 -0.195 14.178 5.113 680 HG2 LYS 83 2HG LYS 83 -2.478 14.159 4.567 681 HG3 LYS 83 1HG LYS 83 -2.393 12.573 3.767 682 HD2 LYS 83 2HD LYS 83 -1.890 11.448 5.826 683 HD3 LYS 83 1HD LYS 83 -1.847 12.988 6.729 684 HE2 LYS 83 2HE LYS 83 -4.279 11.912 5.232 685 HE3 LYS 83 1HE LYS 83 -3.969 11.699 6.968 686 HZ1 LYS 83 1HZ LYS 83 -5.404 13.568 6.558 687 HZ2 LYS 83 2HZ LYS 83 -3.989 14.084 7.209 688 HZ3 LYS 83 3HZ LYS 83 -4.281 14.291 5.600 689 H ASN 84 H ASN 84 1.827 12.047 2.650 690 HA ASN 84 HA ASN 84 3.941 14.014 2.998 691 HB2 ASN 84 2HB ASN 84 3.908 11.161 1.943 692 HB3 ASN 84 1HB ASN 84 5.376 12.127 2.114 693 HD21 ASN 84 1HD2 ASN 84 5.227 10.104 5.181 694 HD22 ASN 84 2HD2 ASN 84 5.467 9.852 3.464 695 H TYR 85 H TYR 85 2.029 12.837 0.240 696 HA TYR 85 HA TYR 85 3.857 13.915 -1.725 697 HB2 TYR 85 2HB TYR 85 2.308 12.110 -2.253 698 HB3 TYR 85 1HB TYR 85 0.930 13.132 -1.861 699 HD1 TYR 85 1HD TYR 85 -0.020 14.558 -3.491 700 HD2 TYR 85 2HD TYR 85 3.832 12.790 -4.215 701 HE1 TYR 85 1HE TYR 85 -0.100 15.358 -5.849 702 HE2 TYR 85 2HE TYR 85 3.742 13.546 -6.571 703 HH TYR 85 HH TYR 85 0.989 15.426 -7.883 704 H LEU 86 H LEU 86 1.068 15.109 0.130 705 HA LEU 86 HA LEU 86 0.751 17.577 -1.312 706 HB2 LEU 86 2HB LEU 86 0.171 16.780 1.566 707 HB3 LEU 86 1HB LEU 86 -0.316 18.327 0.874 708 HG LEU 86 HG LEU 86 -1.226 15.586 -0.108 709 HD11 LEU 86 1HD1 LEU 86 -2.186 16.284 2.068 710 HD12 LEU 86 2HD1 LEU 86 -2.706 17.819 1.337 711 HD13 LEU 86 3HD1 LEU 86 -3.408 16.288 0.774 712 HD21 LEU 86 1HD2 LEU 86 -1.137 17.165 -1.983 713 HD22 LEU 86 2HD2 LEU 86 -2.823 16.893 -1.505 714 HD23 LEU 86 3HD2 LEU 86 -1.999 18.391 -1.016 715 H VAL 87 H VAL 87 3.000 16.498 1.214 716 HA VAL 87 HA VAL 87 4.092 19.171 1.643 717 HB VAL 87 HB VAL 87 5.081 16.381 2.345 718 HG11 VAL 87 1HG1 VAL 87 6.626 17.572 3.900 719 HG12 VAL 87 2HG1 VAL 87 6.995 17.908 2.197 720 HG13 VAL 87 3HG1 VAL 87 6.133 19.120 3.177 721 HG21 VAL 87 1HG2 VAL 87 3.829 18.593 4.027 722 HG22 VAL 87 2HG2 VAL 87 2.992 17.123 3.486 723 HG23 VAL 87 3HG2 VAL 87 4.362 16.992 4.606 724 H ALA 88 H ALA 88 4.802 16.314 -0.382 725 HA ALA 88 HA ALA 88 7.324 17.255 -1.343 726 HB1 ALA 88 1HB ALA 88 6.608 14.892 -1.378 727 HB2 ALA 88 2HB ALA 88 5.344 15.292 -2.567 728 HB3 ALA 88 3HB ALA 88 7.065 15.465 -2.997 729 H GLN 89 H GLN 89 4.001 18.096 -2.168 730 HA GLN 89 HA GLN 89 5.123 19.679 -4.420 731 HB2 GLN 89 2HB GLN 89 2.186 19.083 -4.075 732 HB3 GLN 89 1HB GLN 89 3.042 19.740 -5.488 733 HG2 GLN 89 2HG GLN 89 3.272 16.914 -4.368 734 HG3 GLN 89 1HG GLN 89 2.421 17.386 -5.832 735 HE21 GLN 89 1HE2 GLN 89 5.835 15.962 -6.610 736 HE22 GLN 89 2HE2 GLN 89 4.469 15.418 -5.664 737 H GLY 90 H GLY 90 4.377 19.965 -1.213 738 HA2 GLY 90 2HA GLY 90 3.099 22.581 -1.261 739 HA3 GLY 90 3HA GLY 90 3.811 21.741 0.135 740 H ARG 91 H ARG 91 6.383 21.298 -1.376 741 HA ARG 91 HA ARG 91 7.531 24.018 -1.051 742 HB2 ARG 91 2HB ARG 91 8.988 21.391 -1.455 743 HB3 ARG 91 1HB ARG 91 9.660 22.932 -0.904 744 HG2 ARG 91 2HG ARG 91 7.732 21.107 0.587 745 HG3 ARG 91 1HG ARG 91 9.418 21.442 0.988 746 HD2 ARG 91 2HD ARG 91 7.096 23.409 1.097 747 HD3 ARG 91 1HD ARG 91 7.907 22.671 2.481 748 HE ARG 91 HE ARG 91 8.765 24.985 0.986 749 HH11 ARG 91 1HH1 ARG 91 9.989 22.247 2.859 750 HH12 ARG 91 2HH1 ARG 91 11.490 23.057 3.259 751 HH21 ARG 91 1HH2 ARG 91 10.692 25.998 1.514 752 HH22 ARG 91 2HH2 ARG 91 11.888 25.187 2.501 753 H ARG 92 H ARG 92 6.190 22.228 -3.481 754 HA ARG 92 HA ARG 92 8.073 22.501 -5.624 755 HB2 ARG 92 2HB ARG 92 6.231 20.864 -5.517 756 HB3 ARG 92 1HB ARG 92 5.049 22.187 -5.518 757 HG2 ARG 92 2HG ARG 92 5.077 21.136 -7.642 758 HG3 ARG 92 1HG ARG 92 5.712 22.772 -7.830 759 HD2 ARG 92 2HD ARG 92 7.452 20.281 -7.544 760 HD3 ARG 92 1HD ARG 92 6.942 20.946 -9.103 761 HE ARG 92 HE ARG 92 8.112 23.098 -7.832 762 HH11 ARG 92 1HH1 ARG 92 9.137 19.818 -8.645 763 HH12 ARG 92 2HH1 ARG 92 10.822 20.256 -8.809 764 HH21 ARG 92 1HH2 ARG 92 10.329 23.649 -8.062 765 HH22 ARG 92 2HH2 ARG 92 11.489 22.408 -8.470 766 H LEU 93 H LEU 93 5.912 24.698 -4.054 767 HA LEU 93 HA LEU 93 5.947 26.600 -6.333 768 HB2 LEU 93 2HB LEU 93 4.355 26.547 -3.744 769 HB3 LEU 93 1HB LEU 93 4.211 27.788 -5.007 770 HG LEU 93 HG LEU 93 3.613 24.815 -5.353 771 HD11 LEU 93 1HD1 LEU 93 1.785 27.246 -5.228 772 HD12 LEU 93 2HD1 LEU 93 1.281 25.566 -5.531 773 HD13 LEU 93 3HD1 LEU 93 1.970 26.016 -3.955 774 HD21 LEU 93 1HD2 LEU 93 4.396 25.802 -7.471 775 HD22 LEU 93 2HD2 LEU 93 2.645 25.548 -7.535 776 HD23 LEU 93 3HD2 LEU 93 3.289 27.180 -7.254 777 H GLU 94 H GLU 94 8.094 25.824 -4.111 778 HA GLU 94 HA GLU 94 8.851 28.646 -3.557 779 HB2 GLU 94 2HB GLU 94 9.132 26.235 -1.720 780 HB3 GLU 94 1HB GLU 94 9.811 27.845 -1.411 781 HG2 GLU 94 2HG GLU 94 7.505 28.803 -1.542 782 HG3 GLU 94 1HG GLU 94 6.857 27.159 -1.683 783 H LEU 95 H LEU 95 9.535 26.201 -5.500 784 HA LEU 95 HA LEU 95 12.436 26.758 -5.526 785 HB2 LEU 95 2HB LEU 95 12.162 24.723 -4.165 786 HB3 LEU 95 1HB LEU 95 11.190 23.987 -5.444 787 HG LEU 95 HG LEU 95 13.138 24.065 -6.982 788 HD11 LEU 95 1HD1 LEU 95 14.616 25.101 -4.519 789 HD12 LEU 95 2HD1 LEU 95 15.383 24.563 -6.029 790 HD13 LEU 95 3HD1 LEU 95 14.336 25.999 -6.028 791 HD21 LEU 95 1HD2 LEU 95 12.713 22.068 -5.598 792 HD22 LEU 95 2HD2 LEU 95 14.452 22.319 -5.840 793 HD23 LEU 95 3HD2 LEU 95 13.699 22.760 -4.287 794 H5' GNG 96 H5T DG 96 12.455 3.556 8.015 795 H5'1 GNG 96 1H5* DG 96 11.282 1.562 7.992 796 H5'2 GNG 96 2H5* DG 96 10.382 2.887 7.233 797 H4' GNG 96 H4* DG 96 10.082 2.008 10.135 798 H1' GNG 96 H1* DG 96 6.917 3.288 9.396 799 H8 GNG 96 8H DG 96 7.489 4.025 5.789 800 HN21 GNG 96 1H2 DG 96 6.474 8.929 11.346 801 HN22 GNG 96 2H2 DG 96 6.868 7.327 11.940 802 H2'1 GNG 96 1H2* DG 96 8.246 2.384 6.832 803 H2'2 GNG 96 2H2* DG 96 6.800 1.712 7.656 804 H3' GNG 96 H3* DG 96 9.225 0.577 8.004 805 HN1 GNG 96 1H DG 96 6.318 9.353 9.167 806 H5' DT 97 1H5* DT 97 5.937 1.796 10.941 807 H5'' DT 97 2H5* DT 97 4.839 0.470 11.349 808 H4' DT 97 H4* DT 97 3.695 2.686 11.183 809 H3' DT 97 H3* DT 97 2.685 0.279 10.191 810 H2' DT 97 1H2* DT 97 3.371 0.663 7.954 811 H2'' DT 97 2H2* DT 97 1.703 1.347 7.922 812 H1' DT 97 H1* DT 97 2.465 3.537 8.392 813 H3 DT 97 3H DT 97 3.951 5.436 4.611 814 H71 DT 97 1H7 DT 97 7.187 1.864 4.309 815 H72 DT 97 2H7 DT 97 6.274 0.558 5.109 816 H73 DT 97 3H7 DT 97 5.798 1.137 3.489 817 H6 DT 97 6H DT 97 4.910 1.248 6.764 818 H5' DA 98 1H5* DA 98 -0.822 0.365 10.142 819 H5'' DA 98 2H5* DA 98 -1.679 1.154 11.474 820 H4' DA 98 H4* DA 98 -2.720 -0.948 11.262 821 H3' DA 98 H3* DA 98 -1.541 -0.378 13.654 822 H2' DA 98 1H2* DA 98 0.527 -1.426 13.323 823 H2'' DA 98 2H2* DA 98 -0.355 -2.836 13.979 824 H1' DA 98 H1* DA 98 -0.640 -3.798 11.902 825 H8 DA 98 8H DA 98 2.005 -0.962 11.900 826 H61 DA 98 1H6 DA 98 5.650 -5.137 9.115 827 H62 DA 98 2H6 DA 98 5.582 -3.538 9.829 828 H2 DA 98 2H DA 98 1.546 -6.850 9.409 829 H5' DA 99 1H5* DA 99 -5.076 -4.097 13.894 830 H5'' DA 99 2H5* DA 99 -5.184 -2.475 13.217 831 H4' DA 99 H4* DA 99 -7.054 -3.758 15.266 832 H3' DA 99 H3* DA 99 -7.061 -3.908 12.562 833 H2' DA 99 1H2* DA 99 -7.071 -1.748 11.810 834 H2'' DA 99 2H2* DA 99 -8.776 -1.664 12.313 835 H1' DA 99 H1* DA 99 -8.220 -0.221 13.975 836 H8 DA 99 8H DA 99 -5.880 -0.239 11.421 837 H61 DA 99 1H6 DA 99 -1.746 2.945 14.789 838 H62 DA 99 2H6 DA 99 -2.146 2.408 13.175 839 H2 DA 99 2H DA 99 -4.841 1.366 17.541 840 H5' DA 100 1H5* DA 100 -11.505 -2.369 13.095 841 H5'' DA 100 2H5* DA 100 -12.420 -3.625 12.229 842 H4' DA 100 H4* DA 100 -13.348 -1.646 11.409 843 H3' DA 100 H3* DA 100 -11.903 -3.168 9.562 844 H2' DA 100 1H2* DA 100 -9.979 -1.798 9.674 845 H2'' DA 100 2H2* DA 100 -10.829 -1.045 8.288 846 H1' DA 100 H1* DA 100 -11.863 0.595 9.718 847 H8 DA 100 8H DA 100 -8.325 -0.692 10.030 848 H61 DA 100 1H6 DA 100 -6.753 5.075 11.703 849 H62 DA 100 2H6 DA 100 -6.135 3.499 11.240 850 H2 DA 100 2H DA 100 -11.184 4.823 11.602 851 H5' DA 101 1H5* DA 101 -11.499 -0.242 6.306 852 H5'' DA 101 2H5* DA 101 -12.112 0.612 7.745 853 H4' DA 101 H4* DA 101 -13.630 1.911 6.076 854 H3' DA 101 H3* DA 101 -12.738 0.277 4.137 855 HO3' DA 101 H3T DA 101 -12.878 2.047 2.690 856 H2' DA 101 1H2* DA 101 -10.410 0.437 4.520 857 H2'' DA 101 2H2* DA 101 -10.575 1.753 3.319 858 H1' DA 101 H1* DA 101 -10.353 3.388 4.910 859 H8 DA 101 8H DA 101 -9.482 -0.105 6.392 860 H61 DA 101 1H6 DA 101 -4.596 2.830 8.847 861 H62 DA 101 2H6 DA 101 -5.356 1.269 8.604 862 H2 DA 101 2H DA 101 -7.196 5.867 6.926 Start of MODEL 5 1 H1 MET 1 1H MET 1 -18.935 -17.740 -7.745 2 H2 MET 1 2H MET 1 -19.463 -19.013 -6.848 3 H3 MET 1 3H MET 1 -19.748 -18.981 -8.469 4 HA MET 1 HA MET 1 -18.000 -20.511 -7.967 5 HB2 MET 1 2HB MET 1 -17.063 -17.993 -9.402 6 HB3 MET 1 1HB MET 1 -16.260 -19.571 -9.471 7 HG2 MET 1 2HG MET 1 -19.096 -18.979 -10.395 8 HG3 MET 1 1HG MET 1 -17.691 -19.214 -11.431 9 HE1 MET 1 1HE MET 1 -19.042 -20.954 -12.842 10 HE2 MET 1 2HE MET 1 -19.863 -22.376 -12.164 11 HE3 MET 1 3HE MET 1 -20.452 -20.739 -11.782 12 H SER 2 H SER 2 -15.654 -20.703 -7.420 13 HA SER 2 HA SER 2 -14.748 -18.771 -5.360 14 HB2 SER 2 2HB SER 2 -15.003 -21.775 -4.955 15 HB3 SER 2 1HB SER 2 -14.268 -20.623 -3.808 16 HG SER 2 HG SER 2 -16.441 -21.087 -3.304 17 H GLU 3 H GLU 3 -12.467 -19.340 -4.656 18 HA GLU 3 HA GLU 3 -10.903 -20.617 -6.846 19 HB2 GLU 3 2HB GLU 3 -10.349 -17.926 -5.541 20 HB3 GLU 3 1HB GLU 3 -9.246 -18.784 -6.638 21 HG2 GLU 3 2HG GLU 3 -10.979 -18.725 -8.417 22 HG3 GLU 3 1HG GLU 3 -12.046 -17.808 -7.341 23 H GLN 4 H GLN 4 -8.690 -21.185 -6.187 24 HA GLN 4 HA GLN 4 -8.767 -22.357 -3.486 25 HB2 GLN 4 2HB GLN 4 -6.823 -22.646 -5.802 26 HB3 GLN 4 1HB GLN 4 -6.768 -23.588 -4.312 27 HG2 GLN 4 2HG GLN 4 -9.110 -23.564 -6.274 28 HG3 GLN 4 1HG GLN 4 -7.851 -24.794 -6.221 29 HE21 GLN 4 1HE2 GLN 4 -10.726 -26.179 -4.342 30 HE22 GLN 4 2HE2 GLN 4 -10.365 -25.709 -5.990 31 H LEU 5 H LEU 5 -7.515 -19.537 -4.957 32 HA LEU 5 HA LEU 5 -5.297 -19.315 -2.966 33 HB2 LEU 5 2HB LEU 5 -5.744 -18.120 -5.718 34 HB3 LEU 5 1HB LEU 5 -4.547 -17.478 -4.584 35 HG LEU 5 HG LEU 5 -3.517 -18.914 -6.238 36 HD11 LEU 5 1HD1 LEU 5 -2.534 -18.836 -3.980 37 HD12 LEU 5 2HD1 LEU 5 -3.526 -20.234 -3.490 38 HD13 LEU 5 3HD1 LEU 5 -2.287 -20.427 -4.738 39 HD21 LEU 5 1HD2 LEU 5 -5.480 -20.440 -6.630 40 HD22 LEU 5 2HD2 LEU 5 -3.918 -21.259 -6.460 41 HD23 LEU 5 3HD2 LEU 5 -5.055 -21.267 -5.105 42 H THR 6 H THR 6 -5.211 -17.607 -1.617 43 HA THR 6 HA THR 6 -7.471 -15.654 -1.686 44 HB THR 6 HB THR 6 -7.754 -17.259 0.123 45 HG1 THR 6 1HG THR 6 -7.826 -15.746 1.788 46 HG21 THR 6 1HG2 THR 6 -5.445 -17.988 0.467 47 HG22 THR 6 2HG2 THR 6 -4.988 -16.353 1.009 48 HG23 THR 6 3HG2 THR 6 -6.105 -17.346 1.978 49 H ASP 7 H ASP 7 -6.817 -13.645 -0.239 50 HA ASP 7 HA ASP 7 -4.534 -12.460 -1.538 51 HB2 ASP 7 2HB ASP 7 -6.197 -11.605 0.872 52 HB3 ASP 7 1HB ASP 7 -5.023 -10.571 0.055 53 H GLN 8 H GLN 8 -4.923 -14.321 1.402 54 HA GLN 8 HA GLN 8 -2.676 -13.295 2.832 55 HB2 GLN 8 2HB GLN 8 -4.602 -14.793 3.649 56 HB3 GLN 8 1HB GLN 8 -3.715 -16.151 2.923 57 HG2 GLN 8 2HG GLN 8 -1.725 -15.566 4.303 58 HG3 GLN 8 1HG GLN 8 -2.654 -14.272 5.067 59 HE21 GLN 8 1HE2 GLN 8 -2.908 -17.013 7.470 60 HE22 GLN 8 2HE2 GLN 8 -1.746 -15.826 6.907 61 H VAL 9 H VAL 9 -3.023 -15.973 0.452 62 HA VAL 9 HA VAL 9 -0.240 -16.766 0.766 63 HB VAL 9 HB VAL 9 -1.880 -18.458 0.303 64 HG11 VAL 9 1HG1 VAL 9 -2.537 -16.851 -2.186 65 HG12 VAL 9 2HG1 VAL 9 -3.155 -18.484 -1.812 66 HG13 VAL 9 3HG1 VAL 9 -3.568 -17.116 -0.755 67 HG21 VAL 9 1HG2 VAL 9 -0.937 -19.535 -1.666 68 HG22 VAL 9 2HG2 VAL 9 -0.253 -18.000 -2.230 69 HG23 VAL 9 3HG2 VAL 9 0.362 -18.752 -0.733 70 H LEU 10 H LEU 10 -2.040 -14.504 -1.259 71 HA LEU 10 HA LEU 10 -0.096 -14.239 -3.348 72 HB2 LEU 10 2HB LEU 10 -2.125 -12.328 -2.112 73 HB3 LEU 10 1HB LEU 10 -1.121 -11.905 -3.512 74 HG LEU 10 HG LEU 10 -3.081 -14.249 -3.435 75 HD11 LEU 10 1HD1 LEU 10 -3.146 -11.562 -4.874 76 HD12 LEU 10 2HD1 LEU 10 -4.347 -12.867 -5.045 77 HD13 LEU 10 3HD1 LEU 10 -4.190 -12.008 -3.494 78 HD21 LEU 10 1HD2 LEU 10 -1.195 -14.626 -4.971 79 HD22 LEU 10 2HD2 LEU 10 -2.666 -14.208 -5.885 80 HD23 LEU 10 3HD2 LEU 10 -1.412 -12.966 -5.624 81 H VAL 11 H VAL 11 -0.363 -12.900 -0.062 82 HA VAL 11 HA VAL 11 1.755 -10.953 -0.462 83 HB VAL 11 HB VAL 11 0.282 -12.026 1.970 84 HG11 VAL 11 1HG1 VAL 11 1.250 -10.017 3.122 85 HG12 VAL 11 2HG1 VAL 11 2.487 -11.221 2.702 86 HG13 VAL 11 3HG1 VAL 11 2.297 -9.757 1.707 87 HG21 VAL 11 1HG2 VAL 11 -0.863 -9.878 1.898 88 HG22 VAL 11 2HG2 VAL 11 0.131 -9.364 0.512 89 HG23 VAL 11 3HG2 VAL 11 -1.035 -10.689 0.323 90 H GLU 12 H GLU 12 1.518 -14.288 0.868 91 HA GLU 12 HA GLU 12 4.170 -14.214 1.995 92 HB2 GLU 12 2HB GLU 12 2.440 -16.567 1.130 93 HB3 GLU 12 1HB GLU 12 3.935 -16.675 2.081 94 HG2 GLU 12 2HG GLU 12 2.860 -15.089 3.756 95 HG3 GLU 12 1HG GLU 12 1.354 -15.282 2.863 96 H ARG 13 H ARG 13 2.865 -14.980 -1.222 97 HA ARG 13 HA ARG 13 5.208 -16.252 -2.288 98 HB2 ARG 13 2HB ARG 13 2.863 -14.733 -3.482 99 HB3 ARG 13 1HB ARG 13 4.158 -15.394 -4.494 100 HG2 ARG 13 2HG ARG 13 3.708 -17.645 -3.766 101 HG3 ARG 13 1HG ARG 13 2.551 -17.088 -2.540 102 HD2 ARG 13 2HD ARG 13 1.039 -16.257 -4.261 103 HD3 ARG 13 1HD ARG 13 2.240 -16.597 -5.524 104 HE ARG 13 HE ARG 13 1.610 -18.982 -4.041 105 HH11 ARG 13 1HH1 ARG 13 0.348 -16.831 -6.549 106 HH12 ARG 13 2HH1 ARG 13 -0.555 -18.100 -7.342 107 HH21 ARG 13 1HH2 ARG 13 0.437 -20.608 -5.096 108 HH22 ARG 13 2HH2 ARG 13 -0.504 -20.236 -6.524 109 H VAL 14 H VAL 14 4.189 -12.779 -2.227 110 HA VAL 14 HA VAL 14 6.553 -12.047 -3.717 111 HB VAL 14 HB VAL 14 4.822 -10.614 -4.048 112 HG11 VAL 14 1HG1 VAL 14 4.443 -10.189 -1.072 113 HG12 VAL 14 2HG1 VAL 14 3.506 -9.458 -2.411 114 HG13 VAL 14 3HG1 VAL 14 3.404 -11.196 -2.129 115 HG21 VAL 14 1HG2 VAL 14 6.935 -9.378 -3.674 116 HG22 VAL 14 2HG2 VAL 14 5.505 -8.415 -3.231 117 HG23 VAL 14 3HG2 VAL 14 6.482 -9.154 -1.956 118 H GLN 15 H GLN 15 6.000 -12.690 -0.303 119 HA GLN 15 HA GLN 15 8.484 -11.443 0.518 120 HB2 GLN 15 2HB GLN 15 6.822 -13.668 1.758 121 HB3 GLN 15 1HB GLN 15 8.278 -12.965 2.488 122 HG2 GLN 15 2HG GLN 15 7.202 -10.701 2.368 123 HG3 GLN 15 1HG GLN 15 5.698 -11.477 1.855 124 HE21 GLN 15 1HE2 GLN 15 5.497 -10.977 5.531 125 HE22 GLN 15 2HE2 GLN 15 5.486 -10.020 4.068 126 H LYS 16 H LYS 16 7.652 -14.495 -1.104 127 HA LYS 16 HA LYS 16 10.284 -15.677 -0.602 128 HB2 LYS 16 2HB LYS 16 8.035 -16.446 -2.512 129 HB3 LYS 16 1HB LYS 16 9.463 -17.412 -2.157 130 HG2 LYS 16 2HG LYS 16 7.175 -16.731 -0.288 131 HG3 LYS 16 1HG LYS 16 7.663 -18.325 -0.886 132 HD2 LYS 16 2HD LYS 16 9.793 -18.124 0.407 133 HD3 LYS 16 1HD LYS 16 9.254 -16.531 0.994 134 HE2 LYS 16 2HE LYS 16 8.757 -18.172 2.700 135 HE3 LYS 16 1HE LYS 16 7.245 -17.584 1.993 136 HZ1 LYS 16 1HZ LYS 16 8.598 -20.109 1.306 137 HZ2 LYS 16 2HZ LYS 16 7.257 -19.973 2.241 138 HZ3 LYS 16 3HZ LYS 16 7.188 -19.577 0.646 139 H GLY 17 H GLY 17 9.021 -13.302 -2.721 140 HA2 GLY 17 2HA GLY 17 10.643 -12.036 -3.993 141 HA3 GLY 17 3HA GLY 17 11.466 -13.551 -4.412 142 H ASP 18 H ASP 18 8.152 -14.171 -4.527 143 HA ASP 18 HA ASP 18 8.123 -14.049 -7.452 144 HB2 ASP 18 2HB ASP 18 6.357 -15.174 -5.274 145 HB3 ASP 18 1HB ASP 18 5.715 -14.942 -6.893 146 H GLN 19 H GLN 19 8.267 -11.784 -7.789 147 HA GLN 19 HA GLN 19 6.420 -9.902 -6.702 148 HB2 GLN 19 2HB GLN 19 8.668 -9.437 -7.736 149 HB3 GLN 19 1HB GLN 19 7.982 -9.836 -9.318 150 HG2 GLN 19 2HG GLN 19 6.365 -7.990 -9.102 151 HG3 GLN 19 1HG GLN 19 6.977 -7.629 -7.474 152 HE21 GLN 19 1HE2 GLN 19 9.211 -6.614 -10.826 153 HE22 GLN 19 2HE2 GLN 19 7.981 -7.856 -10.928 154 H LYS 20 H LYS 20 6.049 -12.395 -9.042 155 HA LYS 20 HA LYS 20 4.049 -11.196 -10.703 156 HB2 LYS 20 2HB LYS 20 3.606 -13.505 -11.426 157 HB3 LYS 20 1HB LYS 20 5.332 -13.149 -11.351 158 HG2 LYS 20 2HG LYS 20 5.355 -15.199 -10.368 159 HG3 LYS 20 1HG LYS 20 5.135 -14.215 -8.915 160 HD2 LYS 20 2HD LYS 20 2.630 -14.605 -9.132 161 HD3 LYS 20 1HD LYS 20 2.967 -15.671 -10.502 162 HE2 LYS 20 2HE LYS 20 3.956 -16.033 -7.646 163 HE3 LYS 20 1HE LYS 20 2.651 -16.944 -8.426 164 HZ1 LYS 20 1HZ LYS 20 4.653 -18.192 -8.489 165 HZ2 LYS 20 2HZ LYS 20 4.299 -17.731 -10.025 166 HZ3 LYS 20 3HZ LYS 20 5.497 -16.971 -9.177 167 H ALA 21 H ALA 21 3.907 -12.683 -7.478 168 HA ALA 21 HA ALA 21 0.993 -12.796 -7.520 169 HB1 ALA 21 1HB ALA 21 2.966 -12.961 -5.211 170 HB2 ALA 21 2HB ALA 21 1.227 -13.329 -5.143 171 HB3 ALA 21 3HB ALA 21 2.317 -14.336 -6.134 172 H PHE 22 H PHE 22 3.533 -10.537 -6.333 173 HA PHE 22 HA PHE 22 1.766 -8.709 -5.064 174 HB2 PHE 22 2HB PHE 22 4.173 -8.746 -4.769 175 HB3 PHE 22 1HB PHE 22 4.427 -8.257 -6.443 176 HD1 PHE 22 1HD PHE 22 4.657 -5.961 -6.929 177 HD2 PHE 22 2HD PHE 22 2.652 -7.159 -3.322 178 HE1 PHE 22 1HE PHE 22 4.513 -3.589 -6.217 179 HE2 PHE 22 2HE PHE 22 2.508 -4.786 -2.615 180 HZ PHE 22 HZ PHE 22 3.427 -3.003 -4.069 181 H ASN 23 H ASN 23 2.727 -9.141 -8.509 182 HA ASN 23 HA ASN 23 1.665 -6.656 -9.440 183 HB2 ASN 23 2HB ASN 23 3.195 -8.132 -10.743 184 HB3 ASN 23 1HB ASN 23 1.914 -9.353 -10.857 185 HD21 ASN 23 1HD2 ASN 23 1.662 -5.870 -13.085 186 HD22 ASN 23 2HD2 ASN 23 2.669 -5.926 -11.654 187 H LEU 24 H LEU 24 0.227 -9.903 -9.011 188 HA LEU 24 HA LEU 24 -2.328 -9.089 -10.125 189 HB2 LEU 24 2HB LEU 24 -1.514 -11.518 -8.475 190 HB3 LEU 24 1HB LEU 24 -3.020 -11.363 -9.396 191 HG LEU 24 HG LEU 24 -0.228 -11.222 -10.628 192 HD11 LEU 24 1HD1 LEU 24 -2.216 -13.525 -10.493 193 HD12 LEU 24 2HD1 LEU 24 -0.685 -13.519 -11.408 194 HD13 LEU 24 3HD1 LEU 24 -0.659 -13.412 -9.631 195 HD21 LEU 24 1HD2 LEU 24 -1.440 -11.601 -12.747 196 HD22 LEU 24 2HD2 LEU 24 -2.991 -11.487 -11.880 197 HD23 LEU 24 3HD2 LEU 24 -1.908 -10.077 -11.975 198 H LEU 25 H LEU 25 -0.775 -8.979 -7.014 199 HA LEU 25 HA LEU 25 -3.249 -8.722 -5.499 200 HB2 LEU 25 2HB LEU 25 -1.143 -9.795 -4.659 201 HB3 LEU 25 1HB LEU 25 -0.355 -8.211 -4.714 202 HG LEU 25 HG LEU 25 -2.068 -7.360 -3.080 203 HD11 LEU 25 1HD1 LEU 25 -3.385 -9.085 -1.838 204 HD12 LEU 25 2HD1 LEU 25 -3.877 -8.995 -3.543 205 HD13 LEU 25 3HD1 LEU 25 -2.819 -10.316 -2.992 206 HD21 LEU 25 1HD2 LEU 25 0.156 -8.199 -2.369 207 HD22 LEU 25 2HD2 LEU 25 -1.094 -8.549 -1.157 208 HD23 LEU 25 3HD2 LEU 25 -0.514 -9.846 -2.235 209 H VAL 26 H VAL 26 -0.856 -6.599 -7.046 210 HA VAL 26 HA VAL 26 -1.630 -4.183 -5.670 211 HB VAL 26 HB VAL 26 -0.056 -4.824 -8.169 212 HG11 VAL 26 1HG1 VAL 26 -1.258 -2.747 -8.736 213 HG12 VAL 26 2HG1 VAL 26 -0.839 -2.057 -7.153 214 HG13 VAL 26 3HG1 VAL 26 0.430 -2.377 -8.358 215 HG21 VAL 26 1HG2 VAL 26 0.606 -3.311 -5.605 216 HG22 VAL 26 2HG2 VAL 26 0.942 -5.031 -5.857 217 HG23 VAL 26 3HG2 VAL 26 1.747 -3.810 -6.876 218 H VAL 27 H VAL 27 -2.395 -5.422 -8.990 219 HA VAL 27 HA VAL 27 -4.078 -3.219 -9.618 220 HB VAL 27 HB VAL 27 -3.054 -4.820 -11.222 221 HG11 VAL 27 1HG1 VAL 27 -4.161 -6.964 -11.663 222 HG12 VAL 27 2HG1 VAL 27 -3.560 -6.912 -9.991 223 HG13 VAL 27 3HG1 VAL 27 -5.289 -6.685 -10.315 224 HG21 VAL 27 1HG2 VAL 27 -4.945 -3.337 -11.890 225 HG22 VAL 27 2HG2 VAL 27 -4.933 -4.876 -12.789 226 HG23 VAL 27 3HG2 VAL 27 -6.089 -4.636 -11.471 227 H ARG 28 H ARG 28 -4.679 -6.067 -7.677 228 HA ARG 28 HA ARG 28 -7.565 -6.019 -7.805 229 HB2 ARG 28 2HB ARG 28 -6.359 -8.008 -7.173 230 HB3 ARG 28 1HB ARG 28 -5.520 -7.161 -5.861 231 HG2 ARG 28 2HG ARG 28 -7.558 -6.899 -4.605 232 HG3 ARG 28 1HG ARG 28 -8.534 -7.523 -5.946 233 HD2 ARG 28 2HD ARG 28 -6.361 -9.115 -4.503 234 HD3 ARG 28 1HD ARG 28 -8.092 -9.200 -4.121 235 HE ARG 28 HE ARG 28 -7.809 -9.674 -6.890 236 HH11 ARG 28 1HH1 ARG 28 -6.930 -11.210 -3.824 237 HH12 ARG 28 2HH1 ARG 28 -6.998 -12.825 -4.481 238 HH21 ARG 28 1HH2 ARG 28 -7.874 -11.798 -7.722 239 HH22 ARG 28 2HH2 ARG 28 -7.520 -13.156 -6.681 240 H TYR 29 H TYR 29 -5.153 -4.778 -5.436 241 HA TYR 29 HA TYR 29 -7.288 -3.378 -3.994 242 HB2 TYR 29 2HB TYR 29 -4.342 -3.805 -3.501 243 HB3 TYR 29 1HB TYR 29 -5.316 -2.707 -2.533 244 HD1 TYR 29 1HD TYR 29 -6.616 -3.493 -0.742 245 HD2 TYR 29 2HD TYR 29 -5.212 -6.273 -3.713 246 HE1 TYR 29 1HE TYR 29 -7.490 -5.381 0.612 247 HE2 TYR 29 2HE TYR 29 -6.039 -8.167 -2.338 248 HH TYR 29 HH TYR 29 -7.736 -7.650 0.774 249 H GLN 30 H GLN 30 -5.344 -2.704 -6.672 250 HA GLN 30 HA GLN 30 -4.663 0.014 -6.332 251 HB2 GLN 30 2HB GLN 30 -3.882 -1.464 -8.137 252 HB3 GLN 30 1HB GLN 30 -5.530 -1.575 -8.783 253 HG2 GLN 30 2HG GLN 30 -5.470 0.836 -9.297 254 HG3 GLN 30 1HG GLN 30 -3.810 0.935 -8.654 255 HE21 GLN 30 1HE2 GLN 30 -2.419 -1.059 -11.383 256 HE22 GLN 30 2HE2 GLN 30 -2.265 -0.806 -9.654 257 H HIS 31 H HIS 31 -7.789 -1.546 -6.852 258 HA HIS 31 HA HIS 31 -9.141 0.960 -7.550 259 HB2 HIS 31 2HB HIS 31 -10.192 -1.780 -6.785 260 HB3 HIS 31 1HB HIS 31 -11.172 -0.430 -7.376 261 HD2 HIS 31 2HD HIS 31 -9.012 -3.289 -8.558 262 HE1 HIS 31 1HE HIS 31 -9.868 -1.025 -12.052 263 HE2 HIS 31 2HE HIS 31 -8.900 -3.211 -11.171 264 H LYS 32 H LYS 32 -8.492 -0.950 -4.610 265 HA LYS 32 HA LYS 32 -10.440 0.627 -3.073 266 HB2 LYS 32 2HB LYS 32 -8.494 -1.578 -2.264 267 HB3 LYS 32 1HB LYS 32 -9.648 -0.781 -1.181 268 HG2 LYS 32 2HG LYS 32 -10.916 -2.589 -1.799 269 HG3 LYS 32 1HG LYS 32 -11.420 -1.420 -3.026 270 HD2 LYS 32 2HD LYS 32 -9.345 -2.540 -4.366 271 HD3 LYS 32 1HD LYS 32 -9.719 -3.883 -3.272 272 HE2 LYS 32 2HE LYS 32 -12.160 -3.627 -4.014 273 HE3 LYS 32 1HE LYS 32 -11.568 -2.481 -5.236 274 HZ1 LYS 32 1HZ LYS 32 -11.750 -4.670 -6.152 275 HZ2 LYS 32 2HZ LYS 32 -10.151 -4.275 -6.069 276 HZ3 LYS 32 3HZ LYS 32 -10.793 -5.314 -4.981 277 H VAL 33 H VAL 33 -6.910 0.396 -3.432 278 HA VAL 33 HA VAL 33 -6.318 2.127 -1.211 279 HB VAL 33 HB VAL 33 -4.833 0.370 -2.321 280 HG11 VAL 33 1HG1 VAL 33 -5.182 1.165 -4.666 281 HG12 VAL 33 2HG1 VAL 33 -4.300 2.662 -4.260 282 HG13 VAL 33 3HG1 VAL 33 -3.464 1.103 -4.199 283 HG21 VAL 33 1HG2 VAL 33 -3.978 1.993 -0.665 284 HG22 VAL 33 2HG2 VAL 33 -2.773 1.638 -1.927 285 HG23 VAL 33 3HG2 VAL 33 -3.684 3.162 -1.985 286 H ALA 34 H ALA 34 -7.086 2.583 -4.638 287 HA ALA 34 HA ALA 34 -6.221 5.341 -4.738 288 HB1 ALA 34 1HB ALA 34 -8.130 3.758 -6.512 289 HB2 ALA 34 2HB ALA 34 -7.412 5.330 -6.910 290 HB3 ALA 34 3HB ALA 34 -6.373 3.895 -6.742 291 H SER 35 H SER 35 -9.209 3.638 -3.809 292 HA SER 35 HA SER 35 -10.895 5.962 -3.874 293 HB2 SER 35 2HB SER 35 -11.715 3.627 -3.861 294 HB3 SER 35 1HB SER 35 -11.087 3.420 -2.211 295 HG SER 35 HG SER 35 -13.320 3.991 -2.272 296 H LEU 36 H LEU 36 -8.507 4.694 -1.595 297 HA LEU 36 HA LEU 36 -9.397 6.271 0.653 298 HB2 LEU 36 2HB LEU 36 -7.959 4.168 0.741 299 HB3 LEU 36 1HB LEU 36 -6.626 5.138 0.093 300 HG LEU 36 HG LEU 36 -6.908 6.719 2.057 301 HD11 LEU 36 1HD1 LEU 36 -8.659 4.423 3.036 302 HD12 LEU 36 2HD1 LEU 36 -8.074 5.768 4.043 303 HD13 LEU 36 3HD1 LEU 36 -9.206 6.088 2.714 304 HD21 LEU 36 1HD2 LEU 36 -5.126 5.078 1.987 305 HD22 LEU 36 2HD2 LEU 36 -5.804 5.104 3.633 306 HD23 LEU 36 3HD2 LEU 36 -6.236 3.792 2.510 307 H VAL 37 H VAL 37 -6.792 6.654 -1.800 308 HA VAL 37 HA VAL 37 -5.954 9.149 -0.542 309 HB VAL 37 HB VAL 37 -4.276 7.625 -1.271 310 HG11 VAL 37 1HG1 VAL 37 -5.419 6.478 -3.094 311 HG12 VAL 37 2HG1 VAL 37 -5.404 7.963 -4.073 312 HG13 VAL 37 3HG1 VAL 37 -3.869 7.150 -3.649 313 HG21 VAL 37 1HG2 VAL 37 -3.930 10.145 -1.511 314 HG22 VAL 37 2HG2 VAL 37 -2.871 9.114 -2.503 315 HG23 VAL 37 3HG2 VAL 37 -4.263 9.934 -3.245 316 H SER 38 H SER 38 -8.102 8.296 -3.197 317 HA SER 38 HA SER 38 -7.929 10.745 -4.649 318 HB2 SER 38 2HB SER 38 -10.158 10.187 -5.466 319 HB3 SER 38 1HB SER 38 -9.137 8.732 -5.441 320 HG SER 38 HG SER 38 -11.230 8.391 -4.539 321 H ARG 39 H ARG 39 -9.105 10.039 -1.457 322 HA ARG 39 HA ARG 39 -10.951 12.236 -1.188 323 HB2 ARG 39 2HB ARG 39 -9.363 10.724 0.919 324 HB3 ARG 39 1HB ARG 39 -10.849 11.651 1.181 325 HG2 ARG 39 2HG ARG 39 -12.112 10.039 -0.209 326 HG3 ARG 39 1HG ARG 39 -10.607 9.142 -0.540 327 HD2 ARG 39 2HD ARG 39 -10.338 8.830 1.949 328 HD3 ARG 39 1HD ARG 39 -11.963 9.518 2.151 329 HE ARG 39 HE ARG 39 -12.112 7.427 0.235 330 HH11 ARG 39 1HH1 ARG 39 -11.462 7.838 3.691 331 HH12 ARG 39 2HH1 ARG 39 -12.040 6.238 4.105 332 HH21 ARG 39 1HH2 ARG 39 -12.858 5.353 0.813 333 HH22 ARG 39 2HH2 ARG 39 -12.813 4.832 2.479 334 H TYR 40 H TYR 40 -7.500 12.104 -1.347 335 HA TYR 40 HA TYR 40 -7.297 14.665 0.177 336 HB2 TYR 40 2HB TYR 40 -5.286 12.406 0.002 337 HB3 TYR 40 1HB TYR 40 -5.073 13.920 0.889 338 HD1 TYR 40 1HD TYR 40 -5.925 10.546 1.223 339 HD2 TYR 40 2HD TYR 40 -7.125 14.446 2.580 340 HE1 TYR 40 1HE TYR 40 -7.014 9.517 3.205 341 HE2 TYR 40 2HE TYR 40 -8.223 13.431 4.558 342 HH TYR 40 HH TYR 40 -8.212 9.896 5.128 343 H VAL 41 H VAL 41 -6.537 12.990 -2.810 344 HA VAL 41 HA VAL 41 -5.169 15.478 -3.730 345 HB VAL 41 HB VAL 41 -3.599 14.284 -5.006 346 HG11 VAL 41 1HG1 VAL 41 -3.739 12.938 -2.277 347 HG12 VAL 41 2HG1 VAL 41 -2.300 13.127 -3.302 348 HG13 VAL 41 3HG1 VAL 41 -3.069 14.560 -2.593 349 HG21 VAL 41 1HG2 VAL 41 -5.012 11.743 -4.147 350 HG22 VAL 41 2HG2 VAL 41 -4.908 12.424 -5.795 351 HG23 VAL 41 3HG2 VAL 41 -3.445 11.820 -5.002 352 HA PRO 42 HA PRO 42 -8.224 15.498 -6.866 353 HB2 PRO 42 2HB PRO 42 -6.892 16.626 -8.994 354 HB3 PRO 42 1HB PRO 42 -7.380 17.545 -7.533 355 HG2 PRO 42 2HG PRO 42 -4.682 16.283 -8.103 356 HG3 PRO 42 1HG PRO 42 -5.026 17.964 -7.553 357 HD2 PRO 42 2HD PRO 42 -4.333 16.044 -5.791 358 HD3 PRO 42 1HD PRO 42 -5.631 17.208 -5.381 359 H SER 43 H SER 43 -8.926 14.394 -8.759 360 HA SER 43 HA SER 43 -7.864 11.793 -9.038 361 HB2 SER 43 2HB SER 43 -9.743 13.331 -10.873 362 HB3 SER 43 1HB SER 43 -9.544 11.562 -10.816 363 HG SER 43 HG SER 43 -11.321 12.293 -9.566 364 H GLY 44 H GLY 44 -6.769 14.723 -10.486 365 HA2 GLY 44 2HA GLY 44 -5.778 13.529 -12.952 366 HA3 GLY 44 3HA GLY 44 -5.440 15.150 -12.319 367 H ASP 45 H ASP 45 -4.682 13.665 -9.646 368 HA ASP 45 HA ASP 45 -1.945 12.842 -10.512 369 HB2 ASP 45 2HB ASP 45 -2.801 14.508 -8.117 370 HB3 ASP 45 1HB ASP 45 -1.177 13.857 -8.350 371 H VAL 46 H VAL 46 -4.817 11.811 -9.065 372 HA VAL 46 HA VAL 46 -3.759 10.530 -6.780 373 HB VAL 46 HB VAL 46 -6.132 11.135 -7.144 374 HG11 VAL 46 1HG1 VAL 46 -6.281 8.535 -8.719 375 HG12 VAL 46 2HG1 VAL 46 -7.639 9.544 -8.179 376 HG13 VAL 46 3HG1 VAL 46 -6.510 10.169 -9.403 377 HG21 VAL 46 1HG2 VAL 46 -5.561 8.249 -6.395 378 HG22 VAL 46 2HG2 VAL 46 -5.378 9.672 -5.332 379 HG23 VAL 46 3HG2 VAL 46 -6.991 9.194 -5.911 380 HA PRO 47 HA PRO 47 -3.382 6.487 -9.253 381 HB2 PRO 47 2HB PRO 47 -2.584 6.553 -11.859 382 HB3 PRO 47 1HB PRO 47 -4.317 6.663 -11.388 383 HG2 PRO 47 2HG PRO 47 -2.414 8.953 -11.983 384 HG3 PRO 47 1HG PRO 47 -4.031 8.656 -12.708 385 HD2 PRO 47 2HD PRO 47 -3.733 10.332 -10.620 386 HD3 PRO 47 1HD PRO 47 -5.127 9.211 -10.686 387 H ASP 48 H ASP 48 -1.402 9.367 -9.667 388 HA ASP 48 HA ASP 48 1.093 7.873 -9.942 389 HB2 ASP 48 2HB ASP 48 0.726 10.103 -10.937 390 HB3 ASP 48 1HB ASP 48 0.573 10.795 -9.312 391 H VAL 49 H VAL 49 -0.834 9.319 -7.314 392 HA VAL 49 HA VAL 49 1.270 8.947 -5.332 393 HB VAL 49 HB VAL 49 -1.722 9.403 -4.965 394 HG11 VAL 49 1HG1 VAL 49 0.644 9.778 -3.090 395 HG12 VAL 49 2HG1 VAL 49 -1.030 10.253 -2.743 396 HG13 VAL 49 3HG1 VAL 49 -0.625 8.531 -2.951 397 HG21 VAL 49 1HG2 VAL 49 -0.678 11.279 -6.232 398 HG22 VAL 49 2HG2 VAL 49 -1.129 11.774 -4.596 399 HG23 VAL 49 3HG2 VAL 49 0.570 11.422 -4.969 400 H VAL 50 H VAL 50 -1.402 7.059 -6.678 401 HA VAL 50 HA VAL 50 -1.504 5.076 -4.596 402 HB VAL 50 HB VAL 50 -2.372 5.215 -7.500 403 HG11 VAL 50 1HG1 VAL 50 -2.608 2.860 -5.596 404 HG12 VAL 50 2HG1 VAL 50 -3.592 3.052 -7.072 405 HG13 VAL 50 3HG1 VAL 50 -1.834 2.880 -7.195 406 HG21 VAL 50 1HG2 VAL 50 -4.600 5.182 -6.499 407 HG22 VAL 50 2HG2 VAL 50 -3.908 4.923 -4.881 408 HG23 VAL 50 3HG2 VAL 50 -3.637 6.464 -5.732 409 H GLN 51 H GLN 51 0.367 5.369 -7.664 410 HA GLN 51 HA GLN 51 1.515 2.732 -7.425 411 HB2 GLN 51 2HB GLN 51 1.276 4.016 -9.544 412 HB3 GLN 51 1HB GLN 51 2.467 5.192 -8.955 413 HG2 GLN 51 2HG GLN 51 4.164 3.406 -8.798 414 HG3 GLN 51 1HG GLN 51 2.971 2.208 -9.321 415 HE21 GLN 51 1HE2 GLN 51 4.880 2.945 -12.364 416 HE22 GLN 51 2HE2 GLN 51 5.060 2.081 -10.850 417 H GLU 52 H GLU 52 2.423 5.992 -6.230 418 HA GLU 52 HA GLU 52 5.070 5.195 -5.452 419 HB2 GLU 52 2HB GLU 52 4.257 7.552 -5.744 420 HB3 GLU 52 1HB GLU 52 3.311 7.370 -4.250 421 HG2 GLU 52 2HG GLU 52 5.408 6.816 -3.021 422 HG3 GLU 52 1HG GLU 52 6.330 7.054 -4.515 423 H ALA 53 H ALA 53 1.864 4.908 -3.962 424 HA ALA 53 HA ALA 53 2.872 4.174 -1.347 425 HB1 ALA 53 1HB ALA 53 0.661 5.205 -1.677 426 HB2 ALA 53 2HB ALA 53 0.139 3.806 -2.638 427 HB3 ALA 53 3HB ALA 53 0.521 3.606 -0.909 428 H PHE 54 H PHE 54 2.184 2.442 -4.371 429 HA PHE 54 HA PHE 54 2.212 -0.169 -3.079 430 HB2 PHE 54 2HB PHE 54 2.050 0.897 -5.883 431 HB3 PHE 54 1HB PHE 54 2.475 -0.789 -5.641 432 HD1 PHE 54 1HD PHE 54 -0.143 1.066 -6.599 433 HD2 PHE 54 2HD PHE 54 0.813 -1.732 -3.472 434 HE1 PHE 54 1HE PHE 54 -2.532 0.464 -6.401 435 HE2 PHE 54 2HE PHE 54 -1.598 -2.332 -3.281 436 HZ PHE 54 HZ PHE 54 -3.258 -1.248 -4.741 437 H ILE 55 H ILE 55 4.600 1.890 -4.862 438 HA ILE 55 HA ILE 55 6.639 -0.132 -4.862 439 HB ILE 55 HB ILE 55 6.439 2.836 -5.274 440 HG12 ILE 55 2HG1 ILE 55 7.390 2.342 -7.395 441 HG13 ILE 55 1HG1 ILE 55 7.962 0.747 -6.863 442 HG21 ILE 55 1HG2 ILE 55 9.069 1.373 -4.855 443 HG22 ILE 55 2HG2 ILE 55 8.899 2.998 -5.553 444 HG23 ILE 55 3HG2 ILE 55 8.435 2.708 -3.860 445 HD11 ILE 55 1HD1 ILE 55 5.663 -0.082 -6.773 446 HD12 ILE 55 2HD1 ILE 55 5.052 1.525 -7.254 447 HD13 ILE 55 3HD1 ILE 55 6.043 0.571 -8.380 448 H LYS 56 H LYS 56 5.640 2.367 -2.466 449 HA LYS 56 HA LYS 56 7.728 1.749 -0.598 450 HB2 LYS 56 2HB LYS 56 4.956 2.981 -0.409 451 HB3 LYS 56 1HB LYS 56 6.005 2.768 1.009 452 HG2 LYS 56 2HG LYS 56 7.727 4.131 0.021 453 HG3 LYS 56 1HG LYS 56 6.841 4.271 -1.513 454 HD2 LYS 56 2HD LYS 56 5.122 5.602 -0.536 455 HD3 LYS 56 1HD LYS 56 5.591 5.142 1.106 456 HE2 LYS 56 2HE LYS 56 6.353 7.393 0.759 457 HE3 LYS 56 1HE LYS 56 7.761 6.323 0.809 458 HZ1 LYS 56 1HZ LYS 56 7.749 6.369 -1.624 459 HZ2 LYS 56 2HZ LYS 56 6.506 7.457 -1.600 460 HZ3 LYS 56 3HZ LYS 56 7.962 7.866 -0.979 461 H ALA 57 H ALA 57 4.573 0.275 -1.349 462 HA ALA 57 HA ALA 57 4.496 -1.289 1.091 463 HB1 ALA 57 1HB ALA 57 2.970 -1.579 -1.525 464 HB2 ALA 57 2HB ALA 57 2.585 -2.393 0.005 465 HB3 ALA 57 3HB ALA 57 2.455 -0.625 -0.110 466 H TYR 58 H TYR 58 5.899 -1.752 -2.154 467 HA TYR 58 HA TYR 58 6.179 -4.617 -1.882 468 HB2 TYR 58 2HB TYR 58 6.198 -3.493 -4.060 469 HB3 TYR 58 1HB TYR 58 7.619 -2.557 -3.591 470 HD1 TYR 58 1HD TYR 58 9.811 -3.428 -3.822 471 HD2 TYR 58 2HD TYR 58 6.405 -6.015 -4.292 472 HE1 TYR 58 1HE TYR 58 11.299 -5.222 -4.662 473 HE2 TYR 58 2HE TYR 58 7.888 -7.812 -5.157 474 HH TYR 58 HH TYR 58 11.433 -7.371 -5.454 475 H ARG 59 H ARG 59 8.356 -1.819 -1.448 476 HA ARG 59 HA ARG 59 10.663 -3.309 -0.666 477 HB2 ARG 59 2HB ARG 59 9.834 -0.419 -0.252 478 HB3 ARG 59 1HB ARG 59 11.479 -1.045 0.009 479 HG2 ARG 59 2HG ARG 59 11.711 -1.649 -2.309 480 HG3 ARG 59 1HG ARG 59 9.994 -1.358 -2.637 481 HD2 ARG 59 2HD ARG 59 11.267 0.502 -3.492 482 HD3 ARG 59 1HD ARG 59 10.257 1.023 -2.135 483 HE ARG 59 HE ARG 59 12.850 0.289 -1.167 484 HH11 ARG 59 1HH1 ARG 59 11.239 2.827 -3.023 485 HH12 ARG 59 2HH1 ARG 59 12.383 4.064 -2.561 486 HH21 ARG 59 1HH2 ARG 59 14.335 1.923 -0.569 487 HH22 ARG 59 2HH2 ARG 59 14.135 3.553 -1.175 488 H ALA 60 H ALA 60 7.789 -2.400 1.040 489 HA ALA 60 HA ALA 60 9.100 -3.065 3.630 490 HB1 ALA 60 1HB ALA 60 6.465 -1.656 3.074 491 HB2 ALA 60 2HB ALA 60 7.192 -1.938 4.673 492 HB3 ALA 60 3HB ALA 60 8.000 -0.867 3.504 493 H LEU 61 H LEU 61 7.333 -4.601 1.193 494 HA LEU 61 HA LEU 61 5.452 -6.021 2.835 495 HB2 LEU 61 2HB LEU 61 6.183 -5.867 0.036 496 HB3 LEU 61 1HB LEU 61 6.108 -7.566 0.523 497 HG LEU 61 HG LEU 61 3.905 -5.517 1.015 498 HD11 LEU 61 1HD1 LEU 61 4.218 -6.023 -1.369 499 HD12 LEU 61 2HD1 LEU 61 4.148 -7.766 -1.022 500 HD13 LEU 61 3HD1 LEU 61 2.712 -6.752 -0.759 501 HD21 LEU 61 1HD2 LEU 61 3.887 -7.330 2.674 502 HD22 LEU 61 2HD2 LEU 61 2.552 -7.541 1.525 503 HD23 LEU 61 3HD2 LEU 61 4.025 -8.539 1.372 504 H ASP 62 H ASP 62 8.849 -6.524 1.985 505 HA ASP 62 HA ASP 62 8.955 -9.185 3.133 506 HB2 ASP 62 2HB ASP 62 11.130 -7.124 2.581 507 HB3 ASP 62 1HB ASP 62 11.422 -8.806 3.044 508 H SER 63 H SER 63 8.365 -6.222 4.561 509 HA SER 63 HA SER 63 9.510 -7.128 7.159 510 HB2 SER 63 2HB SER 63 10.449 -5.009 6.249 511 HB3 SER 63 1HB SER 63 8.819 -4.303 6.270 512 HG SER 63 HG SER 63 10.008 -3.804 8.151 513 H PHE 64 H PHE 64 6.687 -6.777 5.319 514 HA PHE 64 HA PHE 64 4.808 -6.112 7.402 515 HB2 PHE 64 2HB PHE 64 4.268 -5.804 5.036 516 HB3 PHE 64 1HB PHE 64 4.581 -7.498 4.712 517 HD1 PHE 64 1HD PHE 64 2.788 -8.977 4.608 518 HD2 PHE 64 2HD PHE 64 2.386 -5.349 6.884 519 HE1 PHE 64 1HE PHE 64 0.402 -9.506 5.038 520 HE2 PHE 64 2HE PHE 64 0.008 -5.881 7.316 521 HZ PHE 64 HZ PHE 64 -0.985 -7.962 6.393 522 H ASP 65 H ASP 65 3.641 -7.445 8.755 523 HA ASP 65 HA ASP 65 4.533 -10.255 8.960 524 HB2 ASP 65 2HB ASP 65 4.492 -8.871 10.991 525 HB3 ASP 65 1HB ASP 65 2.774 -8.527 10.747 526 H ILE 66 H ILE 66 3.467 -11.701 7.790 527 HA ILE 66 HA ILE 66 1.087 -11.134 6.375 528 HB ILE 66 HB ILE 66 2.645 -12.777 5.585 529 HG12 ILE 66 2HG1 ILE 66 1.224 -14.788 5.262 530 HG13 ILE 66 1HG1 ILE 66 0.109 -14.209 6.501 531 HG21 ILE 66 1HG2 ILE 66 3.627 -13.496 7.695 532 HG22 ILE 66 2HG2 ILE 66 2.107 -14.318 8.148 533 HG23 ILE 66 3HG2 ILE 66 3.077 -14.899 6.770 534 HD11 ILE 66 1HD1 ILE 66 -0.665 -13.601 4.215 535 HD12 ILE 66 2HD1 ILE 66 -0.311 -12.147 5.163 536 HD13 ILE 66 3HD1 ILE 66 0.858 -12.720 3.946 537 H ASN 67 H ASN 67 1.568 -12.120 9.673 538 HA ASN 67 HA ASN 67 -1.004 -13.465 9.904 539 HB2 ASN 67 2HB ASN 67 1.006 -12.626 12.023 540 HB3 ASN 67 1HB ASN 67 -0.393 -13.709 12.234 541 HD21 ASN 67 1HD2 ASN 67 3.003 -15.075 10.372 542 HD22 ASN 67 2HD2 ASN 67 2.810 -13.373 10.760 543 H ARG 68 H ARG 68 -0.278 -10.323 9.498 544 HA ARG 68 HA ARG 68 -2.528 -9.334 11.194 545 HB2 ARG 68 2HB ARG 68 -0.059 -7.980 10.083 546 HB3 ARG 68 1HB ARG 68 -1.411 -7.087 10.804 547 HG2 ARG 68 2HG ARG 68 -1.151 -8.390 12.903 548 HG3 ARG 68 1HG ARG 68 0.226 -9.263 12.197 549 HD2 ARG 68 2HD ARG 68 1.442 -7.125 11.921 550 HD3 ARG 68 1HD ARG 68 0.076 -6.260 12.667 551 HE ARG 68 HE ARG 68 0.825 -8.279 14.465 552 HH11 ARG 68 1HH1 ARG 68 2.270 -5.409 13.009 553 HH12 ARG 68 2HH1 ARG 68 3.316 -5.089 14.377 554 HH21 ARG 68 1HH2 ARG 68 2.198 -7.849 16.238 555 HH22 ARG 68 2HH2 ARG 68 3.268 -6.466 16.205 556 H LYS 69 H LYS 69 -3.695 -7.412 10.092 557 HA LYS 69 HA LYS 69 -4.921 -8.502 7.758 558 HB2 LYS 69 2HB LYS 69 -5.091 -5.680 8.873 559 HB3 LYS 69 1HB LYS 69 -6.186 -6.400 7.672 560 HG2 LYS 69 2HG LYS 69 -6.730 -8.186 9.379 561 HG3 LYS 69 1HG LYS 69 -5.769 -7.260 10.557 562 HD2 LYS 69 2HD LYS 69 -8.152 -6.771 10.823 563 HD3 LYS 69 1HD LYS 69 -7.270 -5.328 10.299 564 HE2 LYS 69 2HE LYS 69 -8.069 -5.581 8.029 565 HE3 LYS 69 1HE LYS 69 -8.783 -7.163 8.398 566 HZ1 LYS 69 1HZ LYS 69 -10.386 -5.334 8.407 567 HZ2 LYS 69 2HZ LYS 69 -10.310 -6.101 9.862 568 HZ3 LYS 69 3HZ LYS 69 -9.595 -4.643 9.682 569 H PHE 70 H PHE 70 -4.604 -8.235 5.641 570 HA PHE 70 HA PHE 70 -2.153 -7.042 4.700 571 HB2 PHE 70 2HB PHE 70 -3.368 -7.639 2.431 572 HB3 PHE 70 1HB PHE 70 -2.759 -8.914 3.475 573 HD1 PHE 70 1HD PHE 70 -4.171 -10.529 4.454 574 HD2 PHE 70 2HD PHE 70 -5.869 -7.109 2.479 575 HE1 PHE 70 1HE PHE 70 -6.413 -11.572 4.584 576 HE2 PHE 70 2HE PHE 70 -8.122 -8.139 2.646 577 HZ PHE 70 HZ PHE 70 -8.397 -10.364 3.692 578 H SER 71 H SER 71 -5.607 -6.066 4.628 579 HA SER 71 HA SER 71 -5.050 -3.868 2.803 580 HB2 SER 71 2HB SER 71 -7.466 -3.405 3.125 581 HB3 SER 71 1HB SER 71 -7.106 -5.071 2.624 582 HG SER 71 HG SER 71 -8.612 -4.949 4.376 583 H THR 72 H THR 72 -5.635 -4.232 6.310 584 HA THR 72 HA THR 72 -6.023 -1.506 6.952 585 HB THR 72 HB THR 72 -4.697 -3.747 8.514 586 HG1 THR 72 1HG THR 72 -6.903 -3.875 9.334 587 HG21 THR 72 1HG2 THR 72 -4.347 -1.591 9.633 588 HG22 THR 72 2HG2 THR 72 -6.088 -1.230 9.500 589 HG23 THR 72 3HG2 THR 72 -5.527 -2.588 10.513 590 H TRP 73 H TRP 73 -3.055 -3.425 6.493 591 HA TRP 73 HA TRP 73 -1.283 -1.234 7.304 592 HB2 TRP 73 2HB TRP 73 -0.689 -3.490 7.821 593 HB3 TRP 73 1HB TRP 73 -0.945 -4.007 6.157 594 HD1 TRP 73 HD TRP 73 1.639 -2.225 8.343 595 HE1 TRP 73 1HE TRP 73 3.893 -2.285 7.160 596 HE3 TRP 73 3HE TRP 73 0.083 -3.907 3.778 597 HZ2 TRP 73 2HZ TRP 73 4.929 -3.125 4.561 598 HZ3 TRP 73 3HZ TRP 73 1.715 -4.283 1.960 599 HH2 TRP 73 HH TRP 73 4.139 -3.901 2.352 600 H LEU 74 H LEU 74 -2.708 -2.518 4.303 601 HA LEU 74 HA LEU 74 -0.873 -1.115 2.557 602 HB2 LEU 74 2HB LEU 74 -2.160 -3.089 1.807 603 HB3 LEU 74 1HB LEU 74 -3.672 -2.237 2.122 604 HG LEU 74 HG LEU 74 -3.211 -0.609 0.371 605 HD11 LEU 74 1HD1 LEU 74 -0.621 -2.150 -0.089 606 HD12 LEU 74 2HD1 LEU 74 -1.274 -0.886 -1.151 607 HD13 LEU 74 3HD1 LEU 74 -0.752 -0.469 0.488 608 HD21 LEU 74 1HD2 LEU 74 -2.727 -3.471 -0.560 609 HD22 LEU 74 2HD2 LEU 74 -4.312 -2.735 -0.212 610 HD23 LEU 74 3HD2 LEU 74 -3.324 -2.126 -1.558 611 H TYR 75 H TYR 75 -4.088 -0.388 3.975 612 HA TYR 75 HA TYR 75 -4.473 2.043 2.480 613 HB2 TYR 75 2HB TYR 75 -5.605 1.111 5.144 614 HB3 TYR 75 1HB TYR 75 -6.223 2.461 4.203 615 HD1 TYR 75 1HD TYR 75 -5.945 1.017 1.419 616 HD2 TYR 75 2HD TYR 75 -7.602 -0.148 5.215 617 HE1 TYR 75 1HE TYR 75 -7.529 -0.505 0.261 618 HE2 TYR 75 2HE TYR 75 -9.190 -1.667 4.064 619 HH TYR 75 HH TYR 75 -9.242 -2.011 0.501 620 H ARG 76 H ARG 76 -2.958 1.256 5.615 621 HA ARG 76 HA ARG 76 -2.711 3.923 6.576 622 HB2 ARG 76 2HB ARG 76 -2.474 1.935 7.976 623 HB3 ARG 76 1HB ARG 76 -1.096 1.376 7.026 624 HG2 ARG 76 2HG ARG 76 -0.431 2.377 9.181 625 HG3 ARG 76 1HG ARG 76 0.278 3.226 7.798 626 HD2 ARG 76 2HD ARG 76 -1.312 5.035 8.004 627 HD3 ARG 76 1HD ARG 76 -2.255 4.136 9.215 628 HE ARG 76 HE ARG 76 -0.139 4.242 10.639 629 HH11 ARG 76 1HH1 ARG 76 -0.927 6.767 8.287 630 HH12 ARG 76 2HH1 ARG 76 -0.061 8.007 9.171 631 HH21 ARG 76 1HH2 ARG 76 0.982 5.857 11.736 632 HH22 ARG 76 2HH2 ARG 76 1.029 7.490 11.106 633 H ILE 77 H ILE 77 -0.774 2.006 4.306 634 HA ILE 77 HA ILE 77 1.455 3.878 4.299 635 HB ILE 77 HB ILE 77 0.643 1.487 2.610 636 HG12 ILE 77 2HG1 ILE 77 2.848 2.050 4.633 637 HG13 ILE 77 1HG1 ILE 77 1.398 1.106 4.941 638 HG21 ILE 77 1HG2 ILE 77 3.142 3.212 2.347 639 HG22 ILE 77 2HG2 ILE 77 2.861 1.656 1.520 640 HG23 ILE 77 3HG2 ILE 77 1.842 3.037 1.137 641 HD11 ILE 77 1HD1 ILE 77 3.631 0.370 3.000 642 HD12 ILE 77 2HD1 ILE 77 3.252 -0.409 4.546 643 HD13 ILE 77 3HD1 ILE 77 2.111 -0.540 3.190 644 H ALA 78 H ALA 78 -1.533 3.416 2.401 645 HA ALA 78 HA ALA 78 -0.611 5.151 0.269 646 HB1 ALA 78 1HB ALA 78 -3.362 4.053 0.960 647 HB2 ALA 78 2HB ALA 78 -2.919 4.857 -0.561 648 HB3 ALA 78 3HB ALA 78 -2.160 3.305 -0.114 649 H VAL 79 H VAL 79 -2.522 5.624 3.269 650 HA VAL 79 HA VAL 79 -3.297 8.295 2.405 651 HB VAL 79 HB VAL 79 -4.732 7.025 3.903 652 HG11 VAL 79 1HG1 VAL 79 -2.534 7.330 5.981 653 HG12 VAL 79 2HG1 VAL 79 -4.154 6.627 6.222 654 HG13 VAL 79 3HG1 VAL 79 -2.984 5.813 5.165 655 HG21 VAL 79 1HG2 VAL 79 -4.717 9.525 3.951 656 HG22 VAL 79 2HG2 VAL 79 -5.177 8.802 5.515 657 HG23 VAL 79 3HG2 VAL 79 -3.547 9.470 5.285 658 H ASN 80 H ASN 80 -0.658 6.882 4.401 659 HA ASN 80 HA ASN 80 0.257 9.492 5.226 660 HB2 ASN 80 2HB ASN 80 0.771 7.255 6.330 661 HB3 ASN 80 1HB ASN 80 1.905 6.943 5.009 662 HD21 ASN 80 1HD2 ASN 80 4.074 8.316 7.577 663 HD22 ASN 80 2HD2 ASN 80 3.289 6.818 7.082 664 H THR 81 H THR 81 0.786 7.428 2.378 665 HA THR 81 HA THR 81 2.923 9.020 1.264 666 HB THR 81 HB THR 81 0.903 7.112 0.006 667 HG1 THR 81 1HG THR 81 2.291 6.089 1.380 668 HG21 THR 81 1HG2 THR 81 3.415 8.394 -1.148 669 HG22 THR 81 2HG2 THR 81 2.557 7.009 -1.870 670 HG23 THR 81 3HG2 THR 81 1.748 8.574 -1.746 671 H ALA 82 H ALA 82 -0.582 9.330 1.443 672 HA ALA 82 HA ALA 82 -0.826 11.180 -0.761 673 HB1 ALA 82 1HB ALA 82 -3.084 11.484 0.080 674 HB2 ALA 82 2HB ALA 82 -2.669 9.747 0.158 675 HB3 ALA 82 3HB ALA 82 -2.651 10.753 1.634 676 H LYS 83 H LYS 83 -0.622 11.560 2.838 677 HA LYS 83 HA LYS 83 -0.829 14.417 2.767 678 HB2 LYS 83 2HB LYS 83 0.178 12.363 4.758 679 HB3 LYS 83 1HB LYS 83 0.415 14.102 5.029 680 HG2 LYS 83 2HG LYS 83 -1.528 13.498 6.178 681 HG3 LYS 83 1HG LYS 83 -2.059 14.427 4.753 682 HD2 LYS 83 2HD LYS 83 -2.613 12.275 3.614 683 HD3 LYS 83 1HD LYS 83 -2.028 11.405 5.055 684 HE2 LYS 83 2HE LYS 83 -4.419 11.525 5.150 685 HE3 LYS 83 1HE LYS 83 -3.731 12.546 6.434 686 HZ1 LYS 83 1HZ LYS 83 -5.529 13.655 5.287 687 HZ2 LYS 83 2HZ LYS 83 -4.122 14.460 5.039 688 HZ3 LYS 83 3HZ LYS 83 -4.760 13.511 3.846 689 H ASN 84 H ASN 84 1.938 12.139 2.622 690 HA ASN 84 HA ASN 84 3.946 14.187 2.777 691 HB2 ASN 84 2HB ASN 84 3.976 11.364 1.654 692 HB3 ASN 84 1HB ASN 84 5.412 12.387 1.794 693 HD21 ASN 84 1HD2 ASN 84 5.444 10.266 4.804 694 HD22 ASN 84 2HD2 ASN 84 5.627 10.067 3.077 695 H TYR 85 H TYR 85 1.939 12.988 0.090 696 HA TYR 85 HA TYR 85 3.598 14.212 -1.956 697 HB2 TYR 85 2HB TYR 85 2.118 12.372 -2.506 698 HB3 TYR 85 1HB TYR 85 0.720 13.252 -1.885 699 HD1 TYR 85 1HD TYR 85 3.392 13.456 -4.527 700 HD2 TYR 85 2HD TYR 85 -0.566 14.609 -3.288 701 HE1 TYR 85 1HE TYR 85 2.983 14.435 -6.762 702 HE2 TYR 85 2HE TYR 85 -0.979 15.597 -5.530 703 HH TYR 85 HH TYR 85 1.500 15.543 -8.117 704 H LEU 86 H LEU 86 0.811 15.198 0.040 705 HA LEU 86 HA LEU 86 0.349 17.697 -1.320 706 HB2 LEU 86 2HB LEU 86 -0.226 16.739 1.510 707 HB3 LEU 86 1HB LEU 86 -0.818 18.265 0.866 708 HG LEU 86 HG LEU 86 -1.471 15.507 -0.268 709 HD11 LEU 86 1HD1 LEU 86 -2.529 15.976 1.919 710 HD12 LEU 86 2HD1 LEU 86 -3.157 17.514 1.293 711 HD13 LEU 86 3HD1 LEU 86 -3.731 15.978 0.610 712 HD21 LEU 86 1HD2 LEU 86 -3.153 16.739 -1.621 713 HD22 LEU 86 2HD2 LEU 86 -2.463 18.274 -1.050 714 HD23 LEU 86 3HD2 LEU 86 -1.493 17.169 -2.057 715 H VAL 87 H VAL 87 2.643 16.639 1.148 716 HA VAL 87 HA VAL 87 3.519 19.333 1.834 717 HB VAL 87 HB VAL 87 4.658 16.551 2.303 718 HG11 VAL 87 1HG1 VAL 87 5.623 19.245 3.345 719 HG12 VAL 87 2HG1 VAL 87 6.147 17.662 3.967 720 HG13 VAL 87 3HG1 VAL 87 6.527 18.118 2.299 721 HG21 VAL 87 1HG2 VAL 87 3.363 18.571 4.187 722 HG22 VAL 87 2HG2 VAL 87 2.518 17.186 3.470 723 HG23 VAL 87 3HG2 VAL 87 3.877 16.915 4.586 724 H ALA 88 H ALA 88 4.224 16.937 -0.650 725 HA ALA 88 HA ALA 88 6.736 18.168 -1.447 726 HB1 ALA 88 1HB ALA 88 4.978 16.119 -2.849 727 HB2 ALA 88 2HB ALA 88 6.652 16.541 -3.269 728 HB3 ALA 88 3HB ALA 88 6.298 15.756 -1.715 729 H GLN 89 H GLN 89 3.399 18.946 -1.940 730 HA GLN 89 HA GLN 89 4.217 20.644 -4.254 731 HB2 GLN 89 2HB GLN 89 1.382 19.983 -3.445 732 HB3 GLN 89 1HB GLN 89 1.942 20.753 -4.932 733 HG2 GLN 89 2HG GLN 89 2.407 17.871 -4.065 734 HG3 GLN 89 1HG GLN 89 1.339 18.410 -5.352 735 HE21 GLN 89 1HE2 GLN 89 4.617 17.117 -6.737 736 HE22 GLN 89 2HE2 GLN 89 3.419 16.481 -5.630 737 H GLY 90 H GLY 90 3.387 20.701 -0.901 738 HA2 GLY 90 2HA GLY 90 2.337 23.420 -0.888 739 HA3 GLY 90 3HA GLY 90 2.790 22.427 0.510 740 H ARG 91 H ARG 91 5.506 21.853 -0.612 741 HA ARG 91 HA ARG 91 6.813 24.290 0.342 742 HB2 ARG 91 2HB ARG 91 7.862 21.564 -0.472 743 HB3 ARG 91 1HB ARG 91 8.881 22.893 0.124 744 HG2 ARG 91 2HG ARG 91 7.587 22.981 2.222 745 HG3 ARG 91 1HG ARG 91 6.543 21.663 1.658 746 HD2 ARG 91 2HD ARG 91 9.558 21.466 2.045 747 HD3 ARG 91 1HD ARG 91 8.339 20.891 3.198 748 HE ARG 91 HE ARG 91 7.625 19.638 0.867 749 HH11 ARG 91 1HH1 ARG 91 10.631 19.833 2.724 750 HH12 ARG 91 2HH1 ARG 91 11.196 18.264 2.200 751 HH21 ARG 91 1HH2 ARG 91 8.384 17.584 0.217 752 HH22 ARG 91 2HH2 ARG 91 9.929 16.996 0.797 753 H ARG 92 H ARG 92 5.439 23.845 -2.488 754 HA ARG 92 HA ARG 92 7.671 24.479 -4.281 755 HB2 ARG 92 2HB ARG 92 4.661 24.474 -4.689 756 HB3 ARG 92 1HB ARG 92 5.853 24.610 -5.986 757 HG2 ARG 92 2HG ARG 92 5.825 22.220 -4.117 758 HG3 ARG 92 1HG ARG 92 4.769 22.320 -5.532 759 HD2 ARG 92 2HD ARG 92 6.775 21.064 -6.089 760 HD3 ARG 92 1HD ARG 92 6.699 22.570 -7.016 761 HE ARG 92 HE ARG 92 8.600 23.340 -5.947 762 HH11 ARG 92 1HH1 ARG 92 7.442 20.433 -4.265 763 HH12 ARG 92 2HH1 ARG 92 8.891 20.293 -3.303 764 HH21 ARG 92 1HH2 ARG 92 10.454 23.128 -4.646 765 HH22 ARG 92 2HH2 ARG 92 10.580 21.808 -3.512 766 H LEU 93 H LEU 93 5.548 26.213 -2.201 767 HA LEU 93 HA LEU 93 6.590 28.757 -3.309 768 HB2 LEU 93 2HB LEU 93 4.358 28.317 -4.316 769 HB3 LEU 93 1HB LEU 93 3.658 28.190 -2.695 770 HG LEU 93 HG LEU 93 4.205 30.564 -2.259 771 HD11 LEU 93 1HD1 LEU 93 5.257 30.531 -5.125 772 HD12 LEU 93 2HD1 LEU 93 5.023 31.989 -4.130 773 HD13 LEU 93 3HD1 LEU 93 6.237 30.786 -3.660 774 HD21 LEU 93 1HD2 LEU 93 2.050 29.978 -3.309 775 HD22 LEU 93 2HD2 LEU 93 2.640 31.553 -3.871 776 HD23 LEU 93 3HD2 LEU 93 2.799 30.124 -4.921 777 H GLU 94 H GLU 94 5.648 26.778 -0.600 778 HA GLU 94 HA GLU 94 5.670 29.054 1.259 779 HB2 GLU 94 2HB GLU 94 4.042 27.125 1.377 780 HB3 GLU 94 1HB GLU 94 5.395 26.090 1.868 781 HG2 GLU 94 2HG GLU 94 5.756 27.473 3.865 782 HG3 GLU 94 1HG GLU 94 4.526 28.626 3.318 783 H LEU 95 H LEU 95 8.013 27.295 -0.296 784 HA LEU 95 HA LEU 95 9.988 27.824 1.848 785 HB2 LEU 95 2HB LEU 95 9.330 25.449 2.029 786 HB3 LEU 95 1HB LEU 95 9.698 25.224 0.312 787 HG LEU 95 HG LEU 95 12.080 25.780 0.747 788 HD11 LEU 95 1HD1 LEU 95 11.176 25.863 3.660 789 HD12 LEU 95 2HD1 LEU 95 12.868 25.863 3.110 790 HD13 LEU 95 3HD1 LEU 95 11.810 27.235 2.722 791 HD21 LEU 95 1HD2 LEU 95 10.922 23.618 2.559 792 HD22 LEU 95 2HD2 LEU 95 11.291 23.440 0.828 793 HD23 LEU 95 3HD2 LEU 95 12.604 23.710 1.998 794 H5' GNG 96 H5T DG 96 11.512 4.483 8.633 795 H5'1 GNG 96 1H5* DG 96 11.535 1.717 7.975 796 H5'2 GNG 96 2H5* DG 96 10.598 2.967 7.144 797 H4' GNG 96 H4* DG 96 10.328 2.232 10.095 798 H1' GNG 96 H1* DG 96 7.135 3.450 9.301 799 H8 GNG 96 8H DG 96 7.696 3.986 5.668 800 HN21 GNG 96 1H2 DG 96 6.664 9.166 10.957 801 HN22 GNG 96 2H2 DG 96 7.072 7.600 11.634 802 H2'1 GNG 96 1H2* DG 96 8.477 2.420 6.794 803 H2'2 GNG 96 2H2* DG 96 7.039 1.775 7.651 804 H3' GNG 96 H3* DG 96 9.482 0.687 8.046 805 HN1 GNG 96 1H DG 96 6.507 9.487 8.755 806 H5' DT 97 1H5* DT 97 6.163 1.992 10.925 807 H5'' DT 97 2H5* DT 97 5.084 0.662 11.389 808 H4' DT 97 H4* DT 97 3.886 2.819 11.096 809 H3' DT 97 H3* DT 97 2.967 0.346 10.173 810 H2' DT 97 1H2* DT 97 3.649 0.664 7.932 811 H2'' DT 97 2H2* DT 97 1.974 1.317 7.869 812 H1' DT 97 H1* DT 97 2.698 3.543 8.265 813 H3 DT 97 3H DT 97 4.221 5.356 4.458 814 H71 DT 97 1H7 DT 97 7.434 1.757 4.246 815 H72 DT 97 2H7 DT 97 6.510 0.470 5.062 816 H73 DT 97 3H7 DT 97 6.040 1.026 3.436 817 H6 DT 97 6H DT 97 5.167 1.224 6.717 818 H5' DA 98 1H5* DA 98 -0.592 0.426 10.040 819 H5'' DA 98 2H5* DA 98 -1.434 1.304 11.328 820 H4' DA 98 H4* DA 98 -2.591 -0.725 11.175 821 H3' DA 98 H3* DA 98 -1.380 -0.190 13.560 822 H2' DA 98 1H2* DA 98 0.619 -1.372 13.273 823 H2'' DA 98 2H2* DA 98 -0.359 -2.714 13.928 824 H1' DA 98 H1* DA 98 -0.658 -3.688 11.864 825 H8 DA 98 8H DA 98 2.109 -0.970 11.826 826 H61 DA 98 1H6 DA 98 5.549 -5.335 9.062 827 H62 DA 98 2H6 DA 98 5.562 -3.733 9.767 828 H2 DA 98 2H DA 98 1.364 -6.839 9.361 829 H5' DA 99 1H5* DA 99 -5.252 -3.397 13.855 830 H5'' DA 99 2H5* DA 99 -5.129 -1.787 13.155 831 H4' DA 99 H4* DA 99 -7.163 -2.776 15.205 832 H3' DA 99 H3* DA 99 -7.146 -3.006 12.512 833 H2' DA 99 1H2* DA 99 -6.843 -0.887 11.707 834 H2'' DA 99 2H2* DA 99 -8.545 -0.572 12.138 835 H1' DA 99 H1* DA 99 -7.872 0.837 13.796 836 H8 DA 99 8H DA 99 -5.505 0.488 11.282 837 H61 DA 99 1H6 DA 99 -1.089 3.233 14.688 838 H62 DA 99 2H6 DA 99 -1.516 2.716 13.074 839 H2 DA 99 2H DA 99 -4.418 2.111 17.390 840 H5' DA 100 1H5* DA 100 -11.510 -0.994 12.892 841 H5'' DA 100 2H5* DA 100 -12.448 -2.142 11.896 842 H4' DA 100 H4* DA 100 -13.116 -0.059 11.093 843 H3' DA 100 H3* DA 100 -11.435 -1.644 9.391 844 H2' DA 100 1H2* DA 100 -9.700 -0.208 9.268 845 H2'' DA 100 2H2* DA 100 -10.710 0.629 8.054 846 H1' DA 100 H1* DA 100 -11.533 2.172 9.680 847 H8 DA 100 8H DA 100 -8.033 0.620 10.135 848 H61 DA 100 1H6 DA 100 -6.245 6.334 11.791 849 H62 DA 100 2H6 DA 100 -5.694 4.697 11.464 850 H2 DA 100 2H DA 100 -10.639 6.382 11.224 851 H5' DA 101 1H5* DA 101 -11.612 2.275 7.489 852 H5'' DA 101 2H5* DA 101 -12.843 3.389 8.108 853 H4' DA 101 H4* DA 101 -13.502 4.058 5.905 854 H3' DA 101 H3* DA 101 -13.062 1.601 4.919 855 HO3' DA 101 H3T DA 101 -12.759 2.543 2.872 856 H2' DA 101 1H2* DA 101 -10.800 1.428 5.570 857 H2'' DA 101 2H2* DA 101 -10.608 1.914 3.854 858 H1' DA 101 H1* DA 101 -10.159 4.135 4.406 859 H8 DA 101 8H DA 101 -8.851 1.261 6.185 860 H61 DA 101 1H6 DA 101 -4.795 5.009 9.007 861 H62 DA 101 2H6 DA 101 -5.193 3.333 8.645 862 H2 DA 101 2H DA 101 -7.985 7.528 7.260 Start of MODEL 6 1 H1 MET 1 1H MET 1 -11.440 -14.795 -14.202 2 H2 MET 1 2H MET 1 -12.387 -15.690 -13.191 3 H3 MET 1 3H MET 1 -11.210 -16.421 -14.072 4 HA MET 1 HA MET 1 -9.502 -15.264 -12.905 5 HB2 MET 1 2HB MET 1 -10.031 -13.886 -10.968 6 HB3 MET 1 1HB MET 1 -10.784 -13.227 -12.425 7 HG2 MET 1 2HG MET 1 -12.946 -14.265 -11.787 8 HG3 MET 1 1HG MET 1 -12.191 -14.954 -10.349 9 HE1 MET 1 1HE MET 1 -13.010 -10.443 -11.036 10 HE2 MET 1 2HE MET 1 -11.736 -11.310 -11.918 11 HE3 MET 1 3HE MET 1 -13.444 -11.744 -12.164 12 H SER 2 H SER 2 -8.667 -15.981 -10.774 13 HA SER 2 HA SER 2 -9.710 -18.650 -10.164 14 HB2 SER 2 2HB SER 2 -7.309 -17.141 -9.075 15 HB3 SER 2 1HB SER 2 -7.669 -18.865 -8.829 16 HG SER 2 HG SER 2 -7.494 -19.150 -11.080 17 H GLU 3 H GLU 3 -9.980 -19.384 -7.947 18 HA GLU 3 HA GLU 3 -10.780 -17.280 -6.017 19 HB2 GLU 3 2HB GLU 3 -12.753 -18.042 -7.387 20 HB3 GLU 3 1HB GLU 3 -12.510 -19.677 -6.754 21 HG2 GLU 3 2HG GLU 3 -12.932 -18.872 -4.466 22 HG3 GLU 3 1HG GLU 3 -13.009 -17.200 -5.043 23 H GLN 4 H GLN 4 -9.061 -20.062 -6.744 24 HA GLN 4 HA GLN 4 -9.311 -21.478 -4.216 25 HB2 GLN 4 2HB GLN 4 -7.299 -21.688 -6.490 26 HB3 GLN 4 1HB GLN 4 -7.446 -22.812 -5.134 27 HG2 GLN 4 2HG GLN 4 -8.611 -23.877 -6.870 28 HG3 GLN 4 1HG GLN 4 -9.871 -23.191 -5.852 29 HE21 GLN 4 1HE2 GLN 4 -11.135 -22.329 -9.123 30 HE22 GLN 4 2HE2 GLN 4 -11.119 -23.606 -7.927 31 H LEU 5 H LEU 5 -7.599 -18.702 -5.308 32 HA LEU 5 HA LEU 5 -5.577 -18.923 -3.115 33 HB2 LEU 5 2HB LEU 5 -5.599 -17.447 -5.768 34 HB3 LEU 5 1HB LEU 5 -4.441 -17.104 -4.481 35 HG LEU 5 HG LEU 5 -3.439 -18.504 -6.168 36 HD11 LEU 5 1HD1 LEU 5 -3.947 -20.100 -3.625 37 HD12 LEU 5 2HD1 LEU 5 -2.617 -20.346 -4.765 38 HD13 LEU 5 3HD1 LEU 5 -2.711 -18.828 -3.850 39 HD21 LEU 5 1HD2 LEU 5 -5.541 -19.653 -6.943 40 HD22 LEU 5 2HD2 LEU 5 -4.138 -20.718 -6.732 41 HD23 LEU 5 3HD2 LEU 5 -5.417 -20.702 -5.504 42 H THR 6 H THR 6 -5.340 -17.222 -1.710 43 HA THR 6 HA THR 6 -7.440 -15.101 -1.798 44 HB THR 6 HB THR 6 -7.914 -16.723 -0.040 45 HG1 THR 6 1HG THR 6 -7.932 -15.236 1.650 46 HG21 THR 6 1HG2 THR 6 -5.658 -17.619 0.353 47 HG22 THR 6 2HG2 THR 6 -5.122 -16.046 0.989 48 HG23 THR 6 3HG2 THR 6 -6.340 -16.990 1.865 49 H ASP 7 H ASP 7 -6.700 -13.169 -0.301 50 HA ASP 7 HA ASP 7 -4.298 -12.148 -1.519 51 HB2 ASP 7 2HB ASP 7 -5.942 -11.191 0.857 52 HB3 ASP 7 1HB ASP 7 -4.660 -10.257 0.102 53 H GLN 8 H GLN 8 -4.866 -14.037 1.373 54 HA GLN 8 HA GLN 8 -2.575 -13.161 2.849 55 HB2 GLN 8 2HB GLN 8 -4.598 -14.503 3.666 56 HB3 GLN 8 1HB GLN 8 -3.832 -15.923 2.929 57 HG2 GLN 8 2HG GLN 8 -1.786 -15.506 4.314 58 HG3 GLN 8 1HG GLN 8 -2.609 -14.144 5.080 59 HE21 GLN 8 1HE2 GLN 8 -3.051 -16.913 7.448 60 HE22 GLN 8 2HE2 GLN 8 -1.776 -15.857 6.869 61 H VAL 9 H VAL 9 -3.096 -15.819 0.477 62 HA VAL 9 HA VAL 9 -0.385 -16.828 0.821 63 HB VAL 9 HB VAL 9 -2.155 -18.383 0.306 64 HG11 VAL 9 1HG1 VAL 9 -3.714 -16.878 -0.729 65 HG12 VAL 9 2HG1 VAL 9 -2.665 -16.694 -2.159 66 HG13 VAL 9 3HG1 VAL 9 -3.424 -18.272 -1.792 67 HG21 VAL 9 1HG2 VAL 9 0.067 -18.846 -0.733 68 HG22 VAL 9 2HG2 VAL 9 -1.290 -19.505 -1.670 69 HG23 VAL 9 3HG2 VAL 9 -0.481 -18.025 -2.217 70 H LEU 10 H LEU 10 -1.998 -14.433 -1.182 71 HA LEU 10 HA LEU 10 -0.001 -14.284 -3.251 72 HB2 LEU 10 2HB LEU 10 -2.041 -12.332 -2.103 73 HB3 LEU 10 1HB LEU 10 -0.982 -11.924 -3.460 74 HG LEU 10 HG LEU 10 -2.933 -14.276 -3.453 75 HD11 LEU 10 1HD1 LEU 10 -4.098 -12.069 -3.542 76 HD12 LEU 10 2HD1 LEU 10 -3.002 -11.581 -4.868 77 HD13 LEU 10 3HD1 LEU 10 -4.160 -12.907 -5.113 78 HD21 LEU 10 1HD2 LEU 10 -1.001 -14.634 -4.919 79 HD22 LEU 10 2HD2 LEU 10 -2.435 -14.216 -5.884 80 HD23 LEU 10 3HD2 LEU 10 -1.196 -12.965 -5.553 81 H VAL 11 H VAL 11 -0.291 -12.934 0.022 82 HA VAL 11 HA VAL 11 1.862 -11.019 -0.349 83 HB VAL 11 HB VAL 11 0.318 -12.062 2.045 84 HG11 VAL 11 1HG1 VAL 11 2.536 -11.409 2.845 85 HG12 VAL 11 2HG1 VAL 11 2.465 -9.912 1.891 86 HG13 VAL 11 3HG1 VAL 11 1.364 -10.144 3.276 87 HG21 VAL 11 1HG2 VAL 11 0.371 -9.349 0.667 88 HG22 VAL 11 2HG2 VAL 11 -0.856 -10.600 0.372 89 HG23 VAL 11 3HG2 VAL 11 -0.718 -9.856 1.981 90 H GLU 12 H GLU 12 1.581 -14.363 0.957 91 HA GLU 12 HA GLU 12 4.219 -14.321 2.102 92 HB2 GLU 12 2HB GLU 12 2.519 -16.673 1.180 93 HB3 GLU 12 1HB GLU 12 3.981 -16.766 2.186 94 HG2 GLU 12 2HG GLU 12 2.830 -15.204 3.832 95 HG3 GLU 12 1HG GLU 12 1.357 -15.398 2.877 96 H ARG 13 H ARG 13 2.954 -15.009 -1.146 97 HA ARG 13 HA ARG 13 5.311 -16.290 -2.174 98 HB2 ARG 13 2HB ARG 13 2.985 -14.775 -3.416 99 HB3 ARG 13 1HB ARG 13 4.270 -15.497 -4.405 100 HG2 ARG 13 2HG ARG 13 3.780 -17.706 -3.604 101 HG3 ARG 13 1HG ARG 13 2.635 -17.092 -2.392 102 HD2 ARG 13 2HD ARG 13 1.146 -16.267 -4.158 103 HD3 ARG 13 1HD ARG 13 2.325 -16.728 -5.399 104 HE ARG 13 HE ARG 13 1.622 -18.993 -3.771 105 HH11 ARG 13 1HH1 ARG 13 0.363 -16.936 -6.365 106 HH12 ARG 13 2HH1 ARG 13 -0.612 -18.213 -7.054 107 HH21 ARG 13 1HH2 ARG 13 0.335 -20.621 -4.685 108 HH22 ARG 13 2HH2 ARG 13 -0.634 -20.292 -6.102 109 H VAL 14 H VAL 14 4.272 -12.824 -2.127 110 HA VAL 14 HA VAL 14 6.627 -12.059 -3.607 111 HB VAL 14 HB VAL 14 4.862 -10.654 -3.931 112 HG11 VAL 14 1HG1 VAL 14 3.525 -9.535 -2.305 113 HG12 VAL 14 2HG1 VAL 14 3.487 -11.273 -1.973 114 HG13 VAL 14 3HG1 VAL 14 4.491 -10.201 -0.957 115 HG21 VAL 14 1HG2 VAL 14 6.953 -9.379 -3.580 116 HG22 VAL 14 2HG2 VAL 14 5.511 -8.445 -3.114 117 HG23 VAL 14 3HG2 VAL 14 6.525 -9.174 -1.857 118 H GLN 15 H GLN 15 6.091 -12.728 -0.198 119 HA GLN 15 HA GLN 15 8.540 -11.416 0.644 120 HB2 GLN 15 2HB GLN 15 6.933 -13.695 1.865 121 HB3 GLN 15 1HB GLN 15 8.367 -12.970 2.605 122 HG2 GLN 15 2HG GLN 15 7.255 -10.727 2.496 123 HG3 GLN 15 1HG GLN 15 5.771 -11.521 1.946 124 HE21 GLN 15 1HE2 GLN 15 5.453 -11.067 5.614 125 HE22 GLN 15 2HE2 GLN 15 5.443 -10.105 4.155 126 H LYS 16 H LYS 16 7.762 -14.566 -0.876 127 HA LYS 16 HA LYS 16 10.430 -15.634 -0.451 128 HB2 LYS 16 2HB LYS 16 8.135 -16.471 -2.279 129 HB3 LYS 16 1HB LYS 16 9.589 -17.420 -1.970 130 HG2 LYS 16 2HG LYS 16 7.443 -16.667 0.048 131 HG3 LYS 16 1HG LYS 16 7.777 -18.275 -0.610 132 HD2 LYS 16 2HD LYS 16 10.005 -18.232 0.490 133 HD3 LYS 16 1HD LYS 16 9.635 -16.610 1.141 134 HE2 LYS 16 2HE LYS 16 7.688 -17.485 2.334 135 HE3 LYS 16 1HE LYS 16 7.975 -19.098 1.660 136 HZ1 LYS 16 1HZ LYS 16 9.804 -17.642 3.454 137 HZ2 LYS 16 2HZ LYS 16 8.853 -18.912 3.882 138 HZ3 LYS 16 3HZ LYS 16 10.086 -19.132 2.822 139 H GLY 17 H GLY 17 9.087 -13.326 -2.602 140 HA2 GLY 17 2HA GLY 17 10.702 -12.046 -3.872 141 HA3 GLY 17 3HA GLY 17 11.520 -13.556 -4.314 142 H ASP 18 H ASP 18 8.217 -14.193 -4.419 143 HA ASP 18 HA ASP 18 8.170 -14.018 -7.343 144 HB2 ASP 18 2HB ASP 18 6.458 -15.244 -5.171 145 HB3 ASP 18 1HB ASP 18 5.771 -14.960 -6.760 146 H GLN 19 H GLN 19 8.269 -11.743 -7.636 147 HA GLN 19 HA GLN 19 6.382 -9.941 -6.473 148 HB2 GLN 19 2HB GLN 19 8.625 -9.390 -7.440 149 HB3 GLN 19 1HB GLN 19 7.980 -9.708 -9.056 150 HG2 GLN 19 2HG GLN 19 6.325 -7.893 -8.771 151 HG3 GLN 19 1HG GLN 19 6.879 -7.633 -7.112 152 HE21 GLN 19 1HE2 GLN 19 8.557 -4.983 -8.985 153 HE22 GLN 19 2HE2 GLN 19 6.974 -5.382 -8.347 154 H LYS 20 H LYS 20 6.102 -12.333 -8.925 155 HA LYS 20 HA LYS 20 4.092 -11.139 -10.558 156 HB2 LYS 20 2HB LYS 20 3.661 -13.441 -11.315 157 HB3 LYS 20 1HB LYS 20 5.385 -13.077 -11.239 158 HG2 LYS 20 2HG LYS 20 5.428 -15.136 -10.284 159 HG3 LYS 20 1HG LYS 20 5.209 -14.178 -8.819 160 HD2 LYS 20 2HD LYS 20 2.710 -14.591 -9.016 161 HD3 LYS 20 1HD LYS 20 3.038 -15.614 -10.423 162 HE2 LYS 20 2HE LYS 20 4.052 -16.068 -7.584 163 HE3 LYS 20 1HE LYS 20 2.746 -16.956 -8.390 164 HZ1 LYS 20 1HZ LYS 20 5.585 -16.958 -9.144 165 HZ2 LYS 20 2HZ LYS 20 4.743 -18.200 -8.505 166 HZ3 LYS 20 3HZ LYS 20 4.390 -17.676 -10.029 167 H ALA 21 H ALA 21 3.957 -12.676 -7.359 168 HA ALA 21 HA ALA 21 1.048 -12.865 -7.396 169 HB1 ALA 21 1HB ALA 21 3.039 -12.980 -5.096 170 HB2 ALA 21 2HB ALA 21 1.319 -13.422 -5.023 171 HB3 ALA 21 3HB ALA 21 2.430 -14.376 -6.030 172 H PHE 22 H PHE 22 3.529 -10.547 -6.203 173 HA PHE 22 HA PHE 22 1.733 -8.781 -4.895 174 HB2 PHE 22 2HB PHE 22 4.145 -8.741 -4.625 175 HB3 PHE 22 1HB PHE 22 4.366 -8.256 -6.306 176 HD1 PHE 22 1HD PHE 22 4.566 -5.970 -6.803 177 HD2 PHE 22 2HD PHE 22 2.570 -7.175 -3.187 178 HE1 PHE 22 1HE PHE 22 4.378 -3.595 -6.108 179 HE2 PHE 22 2HE PHE 22 2.386 -4.802 -2.497 180 HZ PHE 22 HZ PHE 22 3.288 -3.017 -3.954 181 H ASN 23 H ASN 23 2.657 -9.158 -8.355 182 HA ASN 23 HA ASN 23 1.512 -6.691 -9.253 183 HB2 ASN 23 2HB ASN 23 3.085 -8.134 -10.555 184 HB3 ASN 23 1HB ASN 23 1.813 -9.354 -10.704 185 HD21 ASN 23 1HD2 ASN 23 0.125 -7.734 -13.345 186 HD22 ASN 23 2HD2 ASN 23 0.172 -9.088 -12.233 187 H LEU 24 H LEU 24 0.188 -9.982 -8.823 188 HA LEU 24 HA LEU 24 -2.406 -9.249 -9.908 189 HB2 LEU 24 2HB LEU 24 -1.508 -11.643 -8.248 190 HB3 LEU 24 1HB LEU 24 -3.019 -11.532 -9.164 191 HG LEU 24 HG LEU 24 -0.242 -11.354 -10.408 192 HD11 LEU 24 1HD1 LEU 24 -0.642 -13.535 -9.374 193 HD12 LEU 24 2HD1 LEU 24 -2.191 -13.682 -10.240 194 HD13 LEU 24 3HD1 LEU 24 -0.656 -13.661 -11.148 195 HD21 LEU 24 1HD2 LEU 24 -1.448 -11.749 -12.513 196 HD22 LEU 24 2HD2 LEU 24 -2.998 -11.681 -11.641 197 HD23 LEU 24 3HD2 LEU 24 -1.954 -10.236 -11.743 198 H LEU 25 H LEU 25 -0.820 -9.045 -6.826 199 HA LEU 25 HA LEU 25 -3.280 -8.880 -5.278 200 HB2 LEU 25 2HB LEU 25 -1.096 -9.831 -4.474 201 HB3 LEU 25 1HB LEU 25 -0.396 -8.208 -4.555 202 HG LEU 25 HG LEU 25 -2.106 -7.437 -2.880 203 HD11 LEU 25 1HD1 LEU 25 -2.768 -10.416 -2.874 204 HD12 LEU 25 2HD1 LEU 25 -3.314 -9.261 -1.631 205 HD13 LEU 25 3HD1 LEU 25 -3.877 -9.096 -3.308 206 HD21 LEU 25 1HD2 LEU 25 0.155 -8.221 -2.192 207 HD22 LEU 25 2HD2 LEU 25 -1.073 -8.633 -0.978 208 HD23 LEU 25 3HD2 LEU 25 -0.464 -9.885 -2.088 209 H VAL 26 H VAL 26 -0.947 -6.667 -6.807 210 HA VAL 26 HA VAL 26 -1.833 -4.269 -5.477 211 HB VAL 26 HB VAL 26 -0.216 -4.915 -7.952 212 HG11 VAL 26 1HG1 VAL 26 -1.023 -2.148 -6.973 213 HG12 VAL 26 2HG1 VAL 26 0.258 -2.478 -8.164 214 HG13 VAL 26 3HG1 VAL 26 -1.426 -2.867 -8.555 215 HG21 VAL 26 1HG2 VAL 26 0.392 -3.394 -5.384 216 HG22 VAL 26 2HG2 VAL 26 0.761 -5.110 -5.648 217 HG23 VAL 26 3HG2 VAL 26 1.558 -3.869 -6.648 218 H VAL 27 H VAL 27 -2.664 -5.763 -8.658 219 HA VAL 27 HA VAL 27 -4.224 -3.552 -9.507 220 HB VAL 27 HB VAL 27 -3.328 -5.374 -10.946 221 HG11 VAL 27 1HG1 VAL 27 -5.710 -6.961 -9.870 222 HG12 VAL 27 2HG1 VAL 27 -4.627 -7.450 -11.186 223 HG13 VAL 27 3HG1 VAL 27 -3.999 -7.299 -9.530 224 HG21 VAL 27 1HG2 VAL 27 -5.217 -5.418 -12.495 225 HG22 VAL 27 2HG2 VAL 27 -6.336 -4.943 -11.198 226 HG23 VAL 27 3HG2 VAL 27 -5.086 -3.808 -11.754 227 H ARG 28 H ARG 28 -5.097 -6.261 -7.375 228 HA ARG 28 HA ARG 28 -7.946 -5.945 -7.511 229 HB2 ARG 28 2HB ARG 28 -6.071 -6.907 -5.306 230 HB3 ARG 28 1HB ARG 28 -7.841 -6.981 -5.196 231 HG2 ARG 28 2HG ARG 28 -7.842 -8.409 -7.260 232 HG3 ARG 28 1HG ARG 28 -6.055 -8.319 -7.253 233 HD2 ARG 28 2HD ARG 28 -5.962 -9.418 -5.081 234 HD3 ARG 28 1HD ARG 28 -7.732 -9.424 -4.972 235 HE ARG 28 HE ARG 28 -6.952 -10.732 -7.376 236 HH11 ARG 28 1HH1 ARG 28 -6.795 -11.254 -3.867 237 HH12 ARG 28 2HH1 ARG 28 -6.928 -12.988 -4.016 238 HH21 ARG 28 1HH2 ARG 28 -7.084 -12.996 -7.519 239 HH22 ARG 28 2HH2 ARG 28 -7.073 -13.970 -6.066 240 H TYR 29 H TYR 29 -5.436 -4.607 -5.369 241 HA TYR 29 HA TYR 29 -7.434 -3.020 -3.923 242 HB2 TYR 29 2HB TYR 29 -4.518 -3.684 -3.487 243 HB3 TYR 29 1HB TYR 29 -5.389 -2.513 -2.501 244 HD1 TYR 29 1HD TYR 29 -5.440 -6.111 -3.575 245 HD2 TYR 29 2HD TYR 29 -6.820 -3.160 -0.761 246 HE1 TYR 29 1HE TYR 29 -6.441 -7.906 -2.190 247 HE2 TYR 29 2HE TYR 29 -7.844 -4.947 0.618 248 HH TYR 29 HH TYR 29 -7.678 -8.401 -0.307 249 H GLN 30 H GLN 30 -5.394 -2.589 -6.619 250 HA GLN 30 HA GLN 30 -4.477 0.050 -6.293 251 HB2 GLN 30 2HB GLN 30 -3.667 -1.419 -8.016 252 HB3 GLN 30 1HB GLN 30 -5.291 -1.635 -8.687 253 HG2 GLN 30 2HG GLN 30 -5.334 0.634 -9.501 254 HG3 GLN 30 1HG GLN 30 -3.799 1.012 -8.679 255 HE21 GLN 30 1HE2 GLN 30 -3.794 -1.467 -12.031 256 HE22 GLN 30 2HE2 GLN 30 -5.225 -1.342 -11.029 257 H HIS 31 H HIS 31 -7.722 -1.176 -7.036 258 HA HIS 31 HA HIS 31 -8.669 1.517 -7.729 259 HB2 HIS 31 2HB HIS 31 -9.568 -0.447 -8.875 260 HB3 HIS 31 1HB HIS 31 -10.115 -1.117 -7.333 261 HD2 HIS 31 2HD HIS 31 -10.609 2.364 -9.092 262 HE1 HIS 31 1HE HIS 31 -14.411 1.041 -7.723 263 HE2 HIS 31 2HE HIS 31 -13.165 2.917 -8.907 264 H LYS 32 H LYS 32 -8.707 -0.676 -4.884 265 HA LYS 32 HA LYS 32 -10.537 0.994 -3.371 266 HB2 LYS 32 2HB LYS 32 -8.618 -1.277 -2.722 267 HB3 LYS 32 1HB LYS 32 -9.408 -0.349 -1.453 268 HG2 LYS 32 2HG LYS 32 -10.694 -2.286 -1.752 269 HG3 LYS 32 1HG LYS 32 -11.634 -0.937 -2.410 270 HD2 LYS 32 2HD LYS 32 -9.938 -2.597 -4.270 271 HD3 LYS 32 1HD LYS 32 -11.454 -3.264 -3.639 272 HE2 LYS 32 2HE LYS 32 -12.668 -1.229 -4.420 273 HE3 LYS 32 1HE LYS 32 -11.178 -0.677 -5.206 274 HZ1 LYS 32 1HZ LYS 32 -12.632 -3.176 -5.781 275 HZ2 LYS 32 2HZ LYS 32 -12.570 -1.845 -6.738 276 HZ3 LYS 32 3HZ LYS 32 -11.211 -2.738 -6.483 277 H VAL 33 H VAL 33 -6.973 0.643 -3.517 278 HA VAL 33 HA VAL 33 -6.446 2.396 -1.335 279 HB VAL 33 HB VAL 33 -4.973 0.587 -2.343 280 HG11 VAL 33 1HG1 VAL 33 -5.162 1.360 -4.725 281 HG12 VAL 33 2HG1 VAL 33 -4.224 2.810 -4.279 282 HG13 VAL 33 3HG1 VAL 33 -3.485 1.201 -4.157 283 HG21 VAL 33 1HG2 VAL 33 -3.727 3.338 -1.983 284 HG22 VAL 33 2HG2 VAL 33 -4.132 2.202 -0.669 285 HG23 VAL 33 3HG2 VAL 33 -2.883 1.779 -1.858 286 H ALA 34 H ALA 34 -7.016 2.875 -4.800 287 HA ALA 34 HA ALA 34 -6.042 5.587 -4.870 288 HB1 ALA 34 1HB ALA 34 -7.159 5.626 -7.069 289 HB2 ALA 34 2HB ALA 34 -6.212 4.135 -6.876 290 HB3 ALA 34 3HB ALA 34 -7.978 4.091 -6.694 291 H SER 35 H SER 35 -9.112 4.043 -3.956 292 HA SER 35 HA SER 35 -10.676 6.465 -4.160 293 HB2 SER 35 2HB SER 35 -11.618 4.170 -4.246 294 HB3 SER 35 1HB SER 35 -11.155 3.926 -2.550 295 HG SER 35 HG SER 35 -13.340 4.627 -2.823 296 H LEU 36 H LEU 36 -8.539 5.022 -1.736 297 HA LEU 36 HA LEU 36 -9.497 6.585 0.482 298 HB2 LEU 36 2HB LEU 36 -8.100 4.427 0.538 299 HB3 LEU 36 1HB LEU 36 -6.711 5.425 0.082 300 HG LEU 36 HG LEU 36 -7.277 6.886 2.127 301 HD11 LEU 36 1HD1 LEU 36 -8.861 4.368 2.823 302 HD12 LEU 36 2HD1 LEU 36 -8.521 5.714 3.925 303 HD13 LEU 36 3HD1 LEU 36 -9.567 5.976 2.518 304 HD21 LEU 36 1HD2 LEU 36 -5.362 5.386 2.037 305 HD22 LEU 36 2HD2 LEU 36 -6.131 5.258 3.638 306 HD23 LEU 36 3HD2 LEU 36 -6.396 3.991 2.410 307 H VAL 37 H VAL 37 -6.777 6.943 -1.842 308 HA VAL 37 HA VAL 37 -5.935 9.405 -0.548 309 HB VAL 37 HB VAL 37 -4.286 7.819 -1.244 310 HG11 VAL 37 1HG1 VAL 37 -5.387 6.754 -3.136 311 HG12 VAL 37 2HG1 VAL 37 -5.305 8.262 -4.070 312 HG13 VAL 37 3HG1 VAL 37 -3.807 7.400 -3.630 313 HG21 VAL 37 1HG2 VAL 37 -3.847 10.326 -1.396 314 HG22 VAL 37 2HG2 VAL 37 -2.779 9.286 -2.373 315 HG23 VAL 37 3HG2 VAL 37 -4.107 10.182 -3.146 316 H SER 38 H SER 38 -8.004 8.630 -3.284 317 HA SER 38 HA SER 38 -7.647 11.016 -4.773 318 HB2 SER 38 2HB SER 38 -9.877 10.550 -5.677 319 HB3 SER 38 1HB SER 38 -8.913 9.068 -5.602 320 HG SER 38 HG SER 38 -11.036 8.793 -4.770 321 H ARG 39 H ARG 39 -9.008 10.501 -1.614 322 HA ARG 39 HA ARG 39 -10.733 12.813 -1.551 323 HB2 ARG 39 2HB ARG 39 -9.419 11.211 0.674 324 HB3 ARG 39 1HB ARG 39 -10.785 12.327 0.846 325 HG2 ARG 39 2HG ARG 39 -12.130 10.878 -0.682 326 HG3 ARG 39 1HG ARG 39 -10.775 9.724 -0.745 327 HD2 ARG 39 2HD ARG 39 -12.255 10.596 1.762 328 HD3 ARG 39 1HD ARG 39 -12.467 9.044 0.925 329 HE ARG 39 HE ARG 39 -9.747 9.189 1.458 330 HH11 ARG 39 1HH1 ARG 39 -12.713 9.316 3.376 331 HH12 ARG 39 2HH1 ARG 39 -11.960 8.655 4.807 332 HH21 ARG 39 1HH2 ARG 39 -8.785 8.326 3.344 333 HH22 ARG 39 2HH2 ARG 39 -9.745 8.089 4.786 334 H TYR 40 H TYR 40 -7.311 12.489 -1.537 335 HA TYR 40 HA TYR 40 -7.030 15.048 -0.015 336 HB2 TYR 40 2HB TYR 40 -5.105 12.707 -0.147 337 HB3 TYR 40 1HB TYR 40 -4.897 14.183 0.796 338 HD1 TYR 40 1HD TYR 40 -7.119 14.707 2.349 339 HD2 TYR 40 2HD TYR 40 -5.763 10.834 1.046 340 HE1 TYR 40 1HE TYR 40 -8.308 13.647 4.251 341 HE2 TYR 40 2HE TYR 40 -6.954 9.770 2.939 342 HH TYR 40 HH TYR 40 -8.818 11.695 5.323 343 H VAL 41 H VAL 41 -6.268 13.309 -2.961 344 HA VAL 41 HA VAL 41 -4.785 15.724 -3.888 345 HB VAL 41 HB VAL 41 -3.218 14.443 -5.102 346 HG11 VAL 41 1HG1 VAL 41 -3.453 13.195 -2.335 347 HG12 VAL 41 2HG1 VAL 41 -1.991 13.304 -3.331 348 HG13 VAL 41 3HG1 VAL 41 -2.728 14.784 -2.685 349 HG21 VAL 41 1HG2 VAL 41 -4.718 11.977 -4.181 350 HG22 VAL 41 2HG2 VAL 41 -4.583 12.599 -5.848 351 HG23 VAL 41 3HG2 VAL 41 -3.144 11.980 -5.020 352 HA PRO 42 HA PRO 42 -7.768 15.770 -7.099 353 HB2 PRO 42 2HB PRO 42 -6.336 16.799 -9.219 354 HB3 PRO 42 1HB PRO 42 -6.846 17.773 -7.801 355 HG2 PRO 42 2HG PRO 42 -4.170 16.409 -8.257 356 HG3 PRO 42 1HG PRO 42 -4.473 18.111 -7.765 357 HD2 PRO 42 2HD PRO 42 -3.881 16.225 -5.941 358 HD3 PRO 42 1HD PRO 42 -5.152 17.433 -5.588 359 H SER 43 H SER 43 -8.437 14.682 -9.019 360 HA SER 43 HA SER 43 -7.477 12.021 -9.191 361 HB2 SER 43 2HB SER 43 -9.099 11.834 -11.051 362 HB3 SER 43 1HB SER 43 -9.794 12.641 -9.628 363 HG SER 43 HG SER 43 -10.257 13.748 -11.583 364 H GLY 44 H GLY 44 -6.244 14.875 -10.662 365 HA2 GLY 44 2HA GLY 44 -5.208 13.598 -13.073 366 HA3 GLY 44 3HA GLY 44 -4.843 15.223 -12.456 367 H ASP 45 H ASP 45 -4.212 13.786 -9.736 368 HA ASP 45 HA ASP 45 -1.485 12.831 -10.504 369 HB2 ASP 45 2HB ASP 45 -2.333 14.576 -8.159 370 HB3 ASP 45 1HB ASP 45 -0.731 13.869 -8.352 371 H VAL 46 H VAL 46 -4.430 11.922 -9.142 372 HA VAL 46 HA VAL 46 -3.490 10.654 -6.787 373 HB VAL 46 HB VAL 46 -5.833 11.340 -7.248 374 HG11 VAL 46 1HG1 VAL 46 -5.997 8.715 -8.774 375 HG12 VAL 46 2HG1 VAL 46 -7.354 9.754 -8.283 376 HG13 VAL 46 3HG1 VAL 46 -6.177 10.341 -9.486 377 HG21 VAL 46 1HG2 VAL 46 -6.793 9.443 -6.014 378 HG22 VAL 46 2HG2 VAL 46 -5.359 8.465 -6.394 379 HG23 VAL 46 3HG2 VAL 46 -5.200 9.921 -5.373 380 HA PRO 47 HA PRO 47 -3.149 6.566 -9.177 381 HB2 PRO 47 2HB PRO 47 -2.297 6.564 -11.764 382 HB3 PRO 47 1HB PRO 47 -4.033 6.720 -11.342 383 HG2 PRO 47 2HG PRO 47 -2.059 8.954 -11.934 384 HG3 PRO 47 1HG PRO 47 -3.670 8.684 -12.685 385 HD2 PRO 47 2HD PRO 47 -3.362 10.389 -10.623 386 HD3 PRO 47 1HD PRO 47 -4.794 9.310 -10.698 387 H ASP 48 H ASP 48 -1.114 9.398 -9.585 388 HA ASP 48 HA ASP 48 1.361 7.864 -9.795 389 HB2 ASP 48 2HB ASP 48 1.029 10.102 -10.837 390 HB3 ASP 48 1HB ASP 48 0.905 10.812 -9.221 391 H VAL 49 H VAL 49 -0.605 9.339 -7.228 392 HA VAL 49 HA VAL 49 1.463 8.985 -5.198 393 HB VAL 49 HB VAL 49 -1.527 9.470 -4.902 394 HG11 VAL 49 1HG1 VAL 49 0.795 9.792 -2.962 395 HG12 VAL 49 2HG1 VAL 49 -0.882 10.302 -2.660 396 HG13 VAL 49 3HG1 VAL 49 -0.511 8.578 -2.864 397 HG21 VAL 49 1HG2 VAL 49 0.817 11.423 -4.868 398 HG22 VAL 49 2HG2 VAL 49 -0.418 11.320 -6.143 399 HG23 VAL 49 3HG2 VAL 49 -0.875 11.833 -4.511 400 H VAL 50 H VAL 50 -1.164 7.097 -6.603 401 HA VAL 50 HA VAL 50 -1.331 5.117 -4.514 402 HB VAL 50 HB VAL 50 -2.162 5.259 -7.428 403 HG11 VAL 50 1HG1 VAL 50 -2.447 2.919 -5.510 404 HG12 VAL 50 2HG1 VAL 50 -3.413 3.119 -6.994 405 HG13 VAL 50 3HG1 VAL 50 -1.652 2.919 -7.097 406 HG21 VAL 50 1HG2 VAL 50 -3.708 5.025 -4.810 407 HG22 VAL 50 2HG2 VAL 50 -3.419 6.547 -5.682 408 HG23 VAL 50 3HG2 VAL 50 -4.394 5.277 -6.441 409 H GLN 51 H GLN 51 0.572 5.375 -7.584 410 HA GLN 51 HA GLN 51 1.728 2.751 -7.273 411 HB2 GLN 51 2HB GLN 51 1.514 3.957 -9.433 412 HB3 GLN 51 1HB GLN 51 2.653 5.193 -8.859 413 HG2 GLN 51 2HG GLN 51 4.410 3.464 -8.634 414 HG3 GLN 51 1HG GLN 51 3.260 2.219 -9.133 415 HE21 GLN 51 1HE2 GLN 51 5.201 2.957 -12.168 416 HE22 GLN 51 2HE2 GLN 51 5.406 2.154 -10.625 417 H GLU 52 H GLU 52 2.550 6.034 -6.135 418 HA GLU 52 HA GLU 52 5.211 5.416 -5.291 419 HB2 GLU 52 2HB GLU 52 4.220 7.700 -5.590 420 HB3 GLU 52 1HB GLU 52 3.208 7.422 -4.163 421 HG2 GLU 52 2HG GLU 52 5.167 8.734 -3.554 422 HG3 GLU 52 1HG GLU 52 5.234 7.151 -2.774 423 H ALA 53 H ALA 53 2.002 4.860 -3.896 424 HA ALA 53 HA ALA 53 3.040 4.147 -1.268 425 HB1 ALA 53 1HB ALA 53 0.291 3.813 -2.532 426 HB2 ALA 53 2HB ALA 53 0.683 3.606 -0.813 427 HB3 ALA 53 3HB ALA 53 0.837 5.208 -1.569 428 H PHE 54 H PHE 54 2.239 2.440 -4.290 429 HA PHE 54 HA PHE 54 2.257 -0.174 -3.010 430 HB2 PHE 54 2HB PHE 54 2.120 0.879 -5.829 431 HB3 PHE 54 1HB PHE 54 2.476 -0.816 -5.555 432 HD1 PHE 54 1HD PHE 54 0.778 -1.678 -3.379 433 HD2 PHE 54 2HD PHE 54 -0.064 1.115 -6.541 434 HE1 PHE 54 1HE PHE 54 -1.648 -2.208 -3.214 435 HE2 PHE 54 2HE PHE 54 -2.469 0.572 -6.384 436 HZ PHE 54 HZ PHE 54 -3.263 -1.108 -4.730 437 H ILE 55 H ILE 55 4.672 1.851 -4.791 438 HA ILE 55 HA ILE 55 6.687 -0.194 -4.827 439 HB ILE 55 HB ILE 55 6.528 2.783 -5.149 440 HG12 ILE 55 2HG1 ILE 55 7.462 2.339 -7.283 441 HG13 ILE 55 1HG1 ILE 55 8.027 0.729 -6.798 442 HG21 ILE 55 1HG2 ILE 55 9.136 1.261 -4.781 443 HG22 ILE 55 2HG2 ILE 55 8.989 2.922 -5.410 444 HG23 ILE 55 3HG2 ILE 55 8.528 2.569 -3.734 445 HD11 ILE 55 1HD1 ILE 55 5.113 1.521 -7.158 446 HD12 ILE 55 2HD1 ILE 55 6.100 0.597 -8.313 447 HD13 ILE 55 3HD1 ILE 55 5.724 -0.101 -6.731 448 H LYS 56 H LYS 56 5.727 2.264 -2.374 449 HA LYS 56 HA LYS 56 7.791 1.527 -0.511 450 HB2 LYS 56 2HB LYS 56 5.086 2.903 -0.324 451 HB3 LYS 56 1HB LYS 56 6.107 2.615 1.105 452 HG2 LYS 56 2HG LYS 56 7.907 3.871 0.190 453 HG3 LYS 56 1HG LYS 56 7.122 4.019 -1.396 454 HD2 LYS 56 2HD LYS 56 5.436 5.487 -0.556 455 HD3 LYS 56 1HD LYS 56 5.812 5.094 1.128 456 HE2 LYS 56 2HE LYS 56 6.681 7.324 0.420 457 HE3 LYS 56 1HE LYS 56 7.929 6.217 1.024 458 HZ1 LYS 56 1HZ LYS 56 8.594 7.373 -0.985 459 HZ2 LYS 56 2HZ LYS 56 8.554 5.749 -1.223 460 HZ3 LYS 56 3HZ LYS 56 7.362 6.688 -1.833 461 H ALA 57 H ALA 57 4.553 0.224 -1.260 462 HA ALA 57 HA ALA 57 4.413 -1.399 1.115 463 HB1 ALA 57 1HB ALA 57 2.982 -1.679 -1.559 464 HB2 ALA 57 2HB ALA 57 2.529 -2.466 -0.031 465 HB3 ALA 57 3HB ALA 57 2.423 -0.702 -0.179 466 H TYR 58 H TYR 58 5.897 -1.845 -2.102 467 HA TYR 58 HA TYR 58 6.230 -4.707 -1.804 468 HB2 TYR 58 2HB TYR 58 6.220 -3.612 -3.993 469 HB3 TYR 58 1HB TYR 58 7.616 -2.628 -3.533 470 HD1 TYR 58 1HD TYR 58 6.503 -6.135 -4.170 471 HD2 TYR 58 2HD TYR 58 9.827 -3.428 -3.791 472 HE1 TYR 58 1HE TYR 58 8.038 -7.897 -5.025 473 HE2 TYR 58 2HE TYR 58 11.361 -5.183 -4.629 474 HH TYR 58 HH TYR 58 10.192 -8.450 -5.534 475 H ARG 59 H ARG 59 8.333 -1.860 -1.392 476 HA ARG 59 HA ARG 59 10.669 -3.306 -0.570 477 HB2 ARG 59 2HB ARG 59 9.825 -0.410 -0.265 478 HB3 ARG 59 1HB ARG 59 11.473 -1.014 0.015 479 HG2 ARG 59 2HG ARG 59 11.709 -1.690 -2.288 480 HG3 ARG 59 1HG ARG 59 9.988 -1.433 -2.617 481 HD2 ARG 59 2HD ARG 59 11.199 0.426 -3.520 482 HD3 ARG 59 1HD ARG 59 10.238 0.966 -2.128 483 HE ARG 59 HE ARG 59 12.849 0.289 -1.211 484 HH11 ARG 59 1HH1 ARG 59 11.248 2.723 -3.217 485 HH12 ARG 59 2HH1 ARG 59 12.420 3.966 -2.849 486 HH21 ARG 59 1HH2 ARG 59 14.366 1.929 -0.755 487 HH22 ARG 59 2HH2 ARG 59 14.176 3.518 -1.454 488 H ALA 60 H ALA 60 7.778 -2.587 1.064 489 HA ALA 60 HA ALA 60 9.109 -3.162 3.676 490 HB1 ALA 60 1HB ALA 60 6.492 -1.700 3.162 491 HB2 ALA 60 2HB ALA 60 7.230 -2.021 4.750 492 HB3 ALA 60 3HB ALA 60 8.042 -0.945 3.599 493 H LEU 61 H LEU 61 7.318 -4.656 1.244 494 HA LEU 61 HA LEU 61 5.422 -6.069 2.886 495 HB2 LEU 61 2HB LEU 61 6.127 -5.884 0.086 496 HB3 LEU 61 1HB LEU 61 6.076 -7.589 0.547 497 HG LEU 61 HG LEU 61 3.847 -5.577 1.087 498 HD11 LEU 61 1HD1 LEU 61 4.146 -6.061 -1.301 499 HD12 LEU 61 2HD1 LEU 61 4.097 -7.810 -0.960 500 HD13 LEU 61 3HD1 LEU 61 2.651 -6.803 -0.672 501 HD21 LEU 61 1HD2 LEU 61 3.867 -7.381 2.738 502 HD22 LEU 61 2HD2 LEU 61 2.544 -7.655 1.587 503 HD23 LEU 61 3HD2 LEU 61 4.055 -8.592 1.445 504 H ASP 62 H ASP 62 8.825 -6.567 2.069 505 HA ASP 62 HA ASP 62 8.853 -9.266 3.157 506 HB2 ASP 62 2HB ASP 62 11.270 -9.108 2.851 507 HB3 ASP 62 1HB ASP 62 10.436 -8.522 1.408 508 H SER 63 H SER 63 8.378 -6.323 4.588 509 HA SER 63 HA SER 63 9.567 -7.245 7.165 510 HB2 SER 63 2HB SER 63 10.519 -5.136 6.224 511 HB3 SER 63 1HB SER 63 8.900 -4.406 6.295 512 HG SER 63 HG SER 63 10.166 -3.948 8.154 513 H PHE 64 H PHE 64 6.726 -6.835 5.368 514 HA PHE 64 HA PHE 64 4.873 -6.166 7.462 515 HB2 PHE 64 2HB PHE 64 4.325 -5.859 5.102 516 HB3 PHE 64 1HB PHE 64 4.622 -7.562 4.780 517 HD1 PHE 64 1HD PHE 64 2.442 -5.377 6.937 518 HD2 PHE 64 2HD PHE 64 2.822 -9.024 4.695 519 HE1 PHE 64 1HE PHE 64 0.057 -5.906 7.385 520 HE2 PHE 64 2HE PHE 64 0.431 -9.537 5.133 521 HZ PHE 64 HZ PHE 64 -0.939 -7.998 6.495 522 H ASP 65 H ASP 65 3.675 -7.493 8.788 523 HA ASP 65 HA ASP 65 4.564 -10.305 9.032 524 HB2 ASP 65 2HB ASP 65 4.551 -8.916 11.042 525 HB3 ASP 65 1HB ASP 65 2.852 -8.515 10.782 526 H ILE 66 H ILE 66 3.472 -11.784 7.891 527 HA ILE 66 HA ILE 66 1.151 -11.167 6.406 528 HB ILE 66 HB ILE 66 2.685 -12.853 5.660 529 HG12 ILE 66 2HG1 ILE 66 1.217 -14.817 5.302 530 HG13 ILE 66 1HG1 ILE 66 0.092 -14.213 6.516 531 HG21 ILE 66 1HG2 ILE 66 3.598 -13.587 7.780 532 HG22 ILE 66 2HG2 ILE 66 2.050 -14.357 8.229 533 HG23 ILE 66 3HG2 ILE 66 3.016 -14.985 6.866 534 HD11 ILE 66 1HD1 ILE 66 0.930 -12.770 3.961 535 HD12 ILE 66 2HD1 ILE 66 -0.629 -13.592 4.219 536 HD13 ILE 66 3HD1 ILE 66 -0.234 -12.135 5.148 537 H ASN 67 H ASN 67 1.493 -12.306 9.707 538 HA ASN 67 HA ASN 67 -1.142 -13.494 9.806 539 HB2 ASN 67 2HB ASN 67 0.767 -12.724 12.044 540 HB3 ASN 67 1HB ASN 67 -0.671 -13.765 12.159 541 HD21 ASN 67 1HD2 ASN 67 0.849 -16.484 10.274 542 HD22 ASN 67 2HD2 ASN 67 -0.680 -15.654 10.483 543 H ARG 68 H ARG 68 -0.406 -10.407 9.339 544 HA ARG 68 HA ARG 68 -2.509 -9.285 11.131 545 HB2 ARG 68 2HB ARG 68 -0.334 -7.856 9.569 546 HB3 ARG 68 1HB ARG 68 -1.397 -7.140 10.784 547 HG2 ARG 68 2HG ARG 68 0.720 -9.278 11.264 548 HG3 ARG 68 1HG ARG 68 0.844 -7.575 11.710 549 HD2 ARG 68 2HD ARG 68 -1.000 -7.808 13.295 550 HD3 ARG 68 1HD ARG 68 -1.256 -9.493 12.796 551 HE ARG 68 HE ARG 68 1.362 -9.526 13.522 552 HH11 ARG 68 1HH1 ARG 68 -1.539 -8.371 15.186 553 HH12 ARG 68 2HH1 ARG 68 -0.884 -8.671 16.776 554 HH21 ARG 68 1HH2 ARG 68 2.181 -9.921 15.586 555 HH22 ARG 68 2HH2 ARG 68 1.220 -9.578 17.008 556 H LYS 69 H LYS 69 -3.611 -7.310 10.039 557 HA LYS 69 HA LYS 69 -5.025 -8.198 7.701 558 HB2 LYS 69 2HB LYS 69 -4.772 -5.611 9.244 559 HB3 LYS 69 1HB LYS 69 -5.640 -5.626 7.704 560 HG2 LYS 69 2HG LYS 69 -6.332 -7.555 9.944 561 HG3 LYS 69 1HG LYS 69 -7.023 -5.925 9.827 562 HD2 LYS 69 2HD LYS 69 -7.842 -6.432 7.533 563 HD3 LYS 69 1HD LYS 69 -7.195 -8.080 7.678 564 HE2 LYS 69 2HE LYS 69 -9.546 -8.158 8.188 565 HE3 LYS 69 1HE LYS 69 -8.652 -8.407 9.702 566 HZ1 LYS 69 1HZ LYS 69 -10.464 -6.859 9.964 567 HZ2 LYS 69 2HZ LYS 69 -9.041 -6.094 10.225 568 HZ3 LYS 69 3HZ LYS 69 -9.845 -5.864 8.810 569 H PHE 70 H PHE 70 -4.378 -8.198 5.642 570 HA PHE 70 HA PHE 70 -1.942 -6.889 4.783 571 HB2 PHE 70 2HB PHE 70 -2.962 -7.634 2.486 572 HB3 PHE 70 1HB PHE 70 -2.364 -8.846 3.608 573 HD1 PHE 70 1HD PHE 70 -3.738 -10.500 4.555 574 HD2 PHE 70 2HD PHE 70 -5.491 -7.268 2.329 575 HE1 PHE 70 1HE PHE 70 -5.927 -11.667 4.588 576 HE2 PHE 70 2HE PHE 70 -7.680 -8.424 2.379 577 HZ PHE 70 HZ PHE 70 -7.899 -10.628 3.505 578 H SER 71 H SER 71 -5.426 -6.123 4.615 579 HA SER 71 HA SER 71 -4.978 -3.956 2.722 580 HB2 SER 71 2HB SER 71 -7.418 -3.624 2.996 581 HB3 SER 71 1HB SER 71 -6.969 -5.296 2.590 582 HG SER 71 HG SER 71 -8.497 -5.155 4.310 583 H THR 72 H THR 72 -5.667 -4.202 6.249 584 HA THR 72 HA THR 72 -6.049 -1.423 6.703 585 HB THR 72 HB THR 72 -4.815 -3.553 8.486 586 HG1 THR 72 1HG THR 72 -6.985 -3.695 9.243 587 HG21 THR 72 1HG2 THR 72 -4.413 -1.297 9.372 588 HG22 THR 72 2HG2 THR 72 -6.134 -0.897 9.173 589 HG23 THR 72 3HG2 THR 72 -5.631 -2.144 10.348 590 H TRP 73 H TRP 73 -3.095 -3.422 6.514 591 HA TRP 73 HA TRP 73 -1.303 -1.275 7.297 592 HB2 TRP 73 2HB TRP 73 -0.763 -3.546 7.778 593 HB3 TRP 73 1HB TRP 73 -1.000 -4.022 6.100 594 HD1 TRP 73 HD TRP 73 1.558 -2.304 8.364 595 HE1 TRP 73 1HE TRP 73 3.847 -2.386 7.231 596 HE3 TRP 73 3HE TRP 73 0.073 -3.914 3.768 597 HZ2 TRP 73 2HZ TRP 73 4.917 -3.188 4.631 598 HZ3 TRP 73 3HZ TRP 73 1.726 -4.275 1.964 599 HH2 TRP 73 HH TRP 73 4.152 -3.927 2.398 600 H LEU 74 H LEU 74 -2.716 -2.479 4.263 601 HA LEU 74 HA LEU 74 -0.849 -1.096 2.531 602 HB2 LEU 74 2HB LEU 74 -2.133 -3.055 1.761 603 HB3 LEU 74 1HB LEU 74 -3.648 -2.221 2.101 604 HG LEU 74 HG LEU 74 -3.207 -0.553 0.371 605 HD11 LEU 74 1HD1 LEU 74 -1.316 -0.803 -1.186 606 HD12 LEU 74 2HD1 LEU 74 -0.737 -0.461 0.452 607 HD13 LEU 74 3HD1 LEU 74 -0.655 -2.122 -0.193 608 HD21 LEU 74 1HD2 LEU 74 -3.376 -2.035 -1.577 609 HD22 LEU 74 2HD2 LEU 74 -2.770 -3.404 -0.607 610 HD23 LEU 74 3HD2 LEU 74 -4.338 -2.660 -0.218 611 H TYR 75 H TYR 75 -4.091 -0.338 3.885 612 HA TYR 75 HA TYR 75 -4.387 2.081 2.336 613 HB2 TYR 75 2HB TYR 75 -5.771 1.104 4.861 614 HB3 TYR 75 1HB TYR 75 -6.303 2.466 3.881 615 HD1 TYR 75 1HD TYR 75 -5.920 1.344 1.103 616 HD2 TYR 75 2HD TYR 75 -7.499 -0.436 4.684 617 HE1 TYR 75 1HE TYR 75 -7.276 -0.208 -0.271 618 HE2 TYR 75 2HE TYR 75 -8.879 -1.975 3.317 619 HH TYR 75 HH TYR 75 -8.802 -1.932 -0.263 620 H ARG 76 H ARG 76 -2.928 1.292 5.461 621 HA ARG 76 HA ARG 76 -2.810 3.978 6.477 622 HB2 ARG 76 2HB ARG 76 -2.602 2.011 7.902 623 HB3 ARG 76 1HB ARG 76 -1.227 1.424 6.963 624 HG2 ARG 76 2HG ARG 76 -0.554 2.395 9.121 625 HG3 ARG 76 1HG ARG 76 0.179 3.250 7.757 626 HD2 ARG 76 2HD ARG 76 -1.398 5.072 7.977 627 HD3 ARG 76 1HD ARG 76 -2.353 4.165 9.172 628 HE ARG 76 HE ARG 76 -0.256 4.236 10.615 629 HH11 ARG 76 1HH1 ARG 76 -0.999 6.790 8.283 630 HH12 ARG 76 2HH1 ARG 76 -0.099 8.005 9.165 631 HH21 ARG 76 1HH2 ARG 76 0.889 5.823 11.728 632 HH22 ARG 76 2HH2 ARG 76 0.974 7.457 11.109 633 H ILE 77 H ILE 77 -0.811 2.064 4.270 634 HA ILE 77 HA ILE 77 1.423 3.919 4.312 635 HB ILE 77 HB ILE 77 0.616 1.539 2.604 636 HG12 ILE 77 2HG1 ILE 77 2.805 2.081 4.654 637 HG13 ILE 77 1HG1 ILE 77 1.332 1.154 4.941 638 HG21 ILE 77 1HG2 ILE 77 1.840 3.076 1.139 639 HG22 ILE 77 2HG2 ILE 77 3.138 3.228 2.350 640 HG23 ILE 77 3HG2 ILE 77 2.833 1.673 1.525 641 HD11 ILE 77 1HD1 ILE 77 2.041 -0.493 3.206 642 HD12 ILE 77 2HD1 ILE 77 3.583 0.386 3.039 643 HD13 ILE 77 3HD1 ILE 77 3.160 -0.386 4.581 644 H ALA 78 H ALA 78 -1.541 3.496 2.371 645 HA ALA 78 HA ALA 78 -0.596 5.185 0.225 646 HB1 ALA 78 1HB ALA 78 -2.904 4.943 -0.583 647 HB2 ALA 78 2HB ALA 78 -2.216 3.376 -0.076 648 HB3 ALA 78 3HB ALA 78 -3.386 4.219 0.968 649 H VAL 79 H VAL 79 -2.486 5.750 3.215 650 HA VAL 79 HA VAL 79 -3.170 8.445 2.317 651 HB VAL 79 HB VAL 79 -4.693 7.164 3.726 652 HG11 VAL 79 1HG1 VAL 79 -3.030 5.964 5.105 653 HG12 VAL 79 2HG1 VAL 79 -2.613 7.508 5.914 654 HG13 VAL 79 3HG1 VAL 79 -4.240 6.808 6.093 655 HG21 VAL 79 1HG2 VAL 79 -5.247 8.952 5.282 656 HG22 VAL 79 2HG2 VAL 79 -3.603 9.607 5.170 657 HG23 VAL 79 3HG2 VAL 79 -4.684 9.665 3.755 658 H ASN 80 H ASN 80 -0.602 6.919 4.266 659 HA ASN 80 HA ASN 80 0.353 9.513 5.178 660 HB2 ASN 80 2HB ASN 80 0.690 7.268 6.343 661 HB3 ASN 80 1HB ASN 80 1.899 6.900 5.104 662 HD21 ASN 80 1HD2 ASN 80 3.988 8.230 7.742 663 HD22 ASN 80 2HD2 ASN 80 3.231 6.751 7.172 664 H THR 81 H THR 81 0.940 7.377 2.390 665 HA THR 81 HA THR 81 3.183 8.868 1.348 666 HB THR 81 HB THR 81 1.086 7.089 0.029 667 HG1 THR 81 1HG THR 81 2.422 5.983 1.391 668 HG21 THR 81 1HG2 THR 81 1.994 8.532 -1.697 669 HG22 THR 81 2HG2 THR 81 3.650 8.289 -1.088 670 HG23 THR 81 3HG2 THR 81 2.759 6.940 -1.837 671 H ALA 82 H ALA 82 -0.329 9.300 1.389 672 HA ALA 82 HA ALA 82 -0.401 11.271 -0.713 673 HB1 ALA 82 1HB ALA 82 -2.348 9.894 0.083 674 HB2 ALA 82 2HB ALA 82 -2.325 10.822 1.602 675 HB3 ALA 82 3HB ALA 82 -2.674 11.650 0.075 676 H LYS 83 H LYS 83 -0.084 11.406 2.892 677 HA LYS 83 HA LYS 83 -0.340 14.269 2.977 678 HB2 LYS 83 2HB LYS 83 1.165 12.514 4.956 679 HB3 LYS 83 1HB LYS 83 0.465 14.114 5.211 680 HG2 LYS 83 2HG LYS 83 -0.844 11.434 5.203 681 HG3 LYS 83 1HG LYS 83 -1.027 12.791 6.304 682 HD2 LYS 83 2HD LYS 83 -2.224 14.013 4.357 683 HD3 LYS 83 1HD LYS 83 -2.298 12.400 3.583 684 HE2 LYS 83 2HE LYS 83 -3.366 11.486 5.611 685 HE3 LYS 83 1HE LYS 83 -3.363 13.101 6.341 686 HZ1 LYS 83 1HZ LYS 83 -4.762 12.367 3.856 687 HZ2 LYS 83 2HZ LYS 83 -5.471 12.602 5.320 688 HZ3 LYS 83 3HZ LYS 83 -4.757 13.861 4.546 689 H ASN 84 H ASN 84 2.390 12.051 2.462 690 HA ASN 84 HA ASN 84 4.397 14.129 2.784 691 HB2 ASN 84 2HB ASN 84 4.467 11.352 1.548 692 HB3 ASN 84 1HB ASN 84 5.888 12.381 1.784 693 HD21 ASN 84 1HD2 ASN 84 5.841 10.075 4.671 694 HD22 ASN 84 2HD2 ASN 84 6.040 9.962 2.933 695 H TYR 85 H TYR 85 2.380 12.972 0.106 696 HA TYR 85 HA TYR 85 3.991 14.268 -1.940 697 HB2 TYR 85 2HB TYR 85 2.530 12.393 -2.482 698 HB3 TYR 85 1HB TYR 85 1.128 13.258 -1.861 699 HD1 TYR 85 1HD TYR 85 3.805 13.482 -4.503 700 HD2 TYR 85 2HD TYR 85 -0.158 14.620 -3.269 701 HE1 TYR 85 1HE TYR 85 3.392 14.459 -6.740 702 HE2 TYR 85 2HE TYR 85 -0.569 15.619 -5.508 703 HH TYR 85 HH TYR 85 1.913 15.570 -8.088 704 H LEU 86 H LEU 86 1.239 15.138 0.150 705 HA LEU 86 HA LEU 86 0.661 17.639 -1.160 706 HB2 LEU 86 2HB LEU 86 0.177 16.559 1.637 707 HB3 LEU 86 1HB LEU 86 -0.416 18.130 1.117 708 HG LEU 86 HG LEU 86 -1.143 15.458 -0.164 709 HD11 LEU 86 1HD1 LEU 86 -2.153 15.850 2.073 710 HD12 LEU 86 2HD1 LEU 86 -2.768 17.422 1.514 711 HD13 LEU 86 3HD1 LEU 86 -3.375 15.919 0.783 712 HD21 LEU 86 1HD2 LEU 86 -2.825 16.788 -1.416 713 HD22 LEU 86 2HD2 LEU 86 -2.094 18.283 -0.778 714 HD23 LEU 86 3HD2 LEU 86 -1.174 17.208 -1.866 715 H VAL 87 H VAL 87 3.092 16.624 1.192 716 HA VAL 87 HA VAL 87 3.912 19.357 1.825 717 HB VAL 87 HB VAL 87 5.200 16.630 2.221 718 HG11 VAL 87 1HG1 VAL 87 6.085 19.372 3.221 719 HG12 VAL 87 2HG1 VAL 87 6.744 17.812 3.775 720 HG13 VAL 87 3HG1 VAL 87 6.978 18.324 2.092 721 HG21 VAL 87 1HG2 VAL 87 4.564 16.977 4.555 722 HG22 VAL 87 2HG2 VAL 87 3.923 18.597 4.174 723 HG23 VAL 87 3HG2 VAL 87 3.123 17.153 3.530 724 H ALA 88 H ALA 88 4.716 16.838 -0.569 725 HA ALA 88 HA ALA 88 7.082 18.140 -1.536 726 HB1 ALA 88 1HB ALA 88 6.905 16.516 -3.370 727 HB2 ALA 88 2HB ALA 88 6.635 15.732 -1.798 728 HB3 ALA 88 3HB ALA 88 5.254 16.097 -2.856 729 H GLN 89 H GLN 89 3.684 18.808 -1.960 730 HA GLN 89 HA GLN 89 4.427 20.628 -4.202 731 HB2 GLN 89 2HB GLN 89 1.606 19.805 -3.484 732 HB3 GLN 89 1HB GLN 89 2.189 20.628 -4.944 733 HG2 GLN 89 2HG GLN 89 2.735 17.743 -4.126 734 HG3 GLN 89 1HG GLN 89 1.663 18.273 -5.417 735 HE21 GLN 89 1HE2 GLN 89 5.018 17.137 -6.758 736 HE22 GLN 89 2HE2 GLN 89 3.851 16.438 -5.655 737 H GLY 90 H GLY 90 3.826 20.563 -0.872 738 HA2 GLY 90 2HA GLY 90 2.556 23.186 -0.676 739 HA3 GLY 90 3HA GLY 90 3.273 22.221 0.638 740 H ARG 91 H ARG 91 5.777 21.911 -1.103 741 HA ARG 91 HA ARG 91 7.093 24.381 -0.232 742 HB2 ARG 91 2HB ARG 91 8.167 21.825 -1.467 743 HB3 ARG 91 1HB ARG 91 9.164 23.197 -0.933 744 HG2 ARG 91 2HG ARG 91 8.272 22.969 1.363 745 HG3 ARG 91 1HG ARG 91 7.270 21.600 0.846 746 HD2 ARG 91 2HD ARG 91 9.282 20.762 1.914 747 HD3 ARG 91 1HD ARG 91 9.323 20.369 0.184 748 HE ARG 91 HE ARG 91 10.660 22.876 0.937 749 HH11 ARG 91 1HH1 ARG 91 11.064 19.398 0.423 750 HH12 ARG 91 2HH1 ARG 91 12.782 19.531 0.127 751 HH21 ARG 91 1HH2 ARG 91 12.856 23.022 0.499 752 HH22 ARG 91 2HH2 ARG 91 13.809 21.580 0.194 753 H ARG 92 H ARG 92 5.178 23.980 -2.758 754 HA ARG 92 HA ARG 92 6.861 24.944 -4.923 755 HB2 ARG 92 2HB ARG 92 3.846 24.917 -4.511 756 HB3 ARG 92 1HB ARG 92 4.650 25.466 -5.993 757 HG2 ARG 92 2HG ARG 92 5.734 23.230 -6.217 758 HG3 ARG 92 1HG ARG 92 4.802 22.659 -4.819 759 HD2 ARG 92 2HD ARG 92 3.619 23.786 -7.387 760 HD3 ARG 92 1HD ARG 92 3.735 22.061 -6.991 761 HE ARG 92 HE ARG 92 2.400 23.190 -4.837 762 HH11 ARG 92 1HH1 ARG 92 1.870 22.995 -8.322 763 HH12 ARG 92 2HH1 ARG 92 0.126 23.062 -8.183 764 HH21 ARG 92 1HH2 ARG 92 0.132 23.297 -4.677 765 HH22 ARG 92 2HH2 ARG 92 -0.854 23.237 -6.119 766 H LEU 93 H LEU 93 5.491 26.388 -2.113 767 HA LEU 93 HA LEU 93 6.091 29.083 -3.199 768 HB2 LEU 93 2HB LEU 93 3.647 28.568 -3.216 769 HB3 LEU 93 1HB LEU 93 3.707 28.323 -1.465 770 HG LEU 93 HG LEU 93 4.295 30.698 -1.133 771 HD11 LEU 93 1HD1 LEU 93 4.165 30.866 -4.177 772 HD12 LEU 93 2HD1 LEU 93 4.274 32.255 -3.076 773 HD13 LEU 93 3HD1 LEU 93 5.620 31.109 -3.176 774 HD21 LEU 93 1HD2 LEU 93 1.924 30.052 -1.304 775 HD22 LEU 93 2HD2 LEU 93 2.203 31.691 -1.937 776 HD23 LEU 93 3HD2 LEU 93 1.971 30.331 -3.057 777 H GLU 94 H GLU 94 7.163 26.835 -1.141 778 HA GLU 94 HA GLU 94 8.046 28.823 0.876 779 HB2 GLU 94 2HB GLU 94 6.925 26.051 1.458 780 HB3 GLU 94 1HB GLU 94 7.735 27.099 2.635 781 HG2 GLU 94 2HG GLU 94 6.005 28.852 2.235 782 HG3 GLU 94 1HG GLU 94 5.153 27.743 1.148 783 H LEU 95 H LEU 95 9.814 27.721 2.276 784 HA LEU 95 HA LEU 95 12.004 27.153 0.557 785 HB2 LEU 95 2HB LEU 95 12.184 28.250 2.757 786 HB3 LEU 95 1HB LEU 95 11.661 26.753 3.545 787 HG LEU 95 HG LEU 95 13.676 25.592 2.703 788 HD11 LEU 95 1HD1 LEU 95 14.409 28.346 1.617 789 HD12 LEU 95 2HD1 LEU 95 15.509 26.950 1.700 790 HD13 LEU 95 3HD1 LEU 95 14.078 26.894 0.647 791 HD21 LEU 95 1HD2 LEU 95 13.707 26.720 4.900 792 HD22 LEU 95 2HD2 LEU 95 15.304 26.776 4.121 793 HD23 LEU 95 3HD2 LEU 95 14.263 28.220 4.127 794 H5' GNG 96 H5T DG 96 12.623 3.516 8.075 795 H5'1 GNG 96 1H5* DG 96 11.447 1.547 8.171 796 H5'2 GNG 96 2H5* DG 96 10.557 2.810 7.299 797 H4' GNG 96 H4* DG 96 10.202 2.132 10.251 798 H1' GNG 96 H1* DG 96 7.042 3.378 9.345 799 H8 GNG 96 8H DG 96 7.702 3.821 5.720 800 HN21 GNG 96 1H2 DG 96 6.733 9.163 10.863 801 HN22 GNG 96 2H2 DG 96 7.096 7.604 11.575 802 H2'1 GNG 96 1H2* DG 96 8.429 2.282 6.895 803 H2'2 GNG 96 2H2* DG 96 6.963 1.677 7.741 804 H3' GNG 96 H3* DG 96 9.386 0.556 8.200 805 HN1 GNG 96 1H DG 96 6.601 9.422 8.649 806 H5' DT 97 1H5* DT 97 6.039 1.936 10.978 807 H5'' DT 97 2H5* DT 97 4.937 0.626 11.447 808 H4' DT 97 H4* DT 97 3.780 2.803 11.115 809 H3' DT 97 H3* DT 97 2.843 0.331 10.208 810 H2' DT 97 1H2* DT 97 3.529 0.623 7.971 811 H2'' DT 97 2H2* DT 97 1.870 1.307 7.888 812 H1' DT 97 H1* DT 97 2.628 3.518 8.283 813 H3 DT 97 3H DT 97 4.206 5.287 4.472 814 H71 DT 97 1H7 DT 97 6.451 0.391 5.140 815 H72 DT 97 2H7 DT 97 5.995 0.921 3.498 816 H73 DT 97 3H7 DT 97 7.387 1.658 4.313 817 H6 DT 97 6H DT 97 5.081 1.159 6.765 818 H5' DA 98 1H5* DA 98 -0.730 0.410 10.099 819 H5'' DA 98 2H5* DA 98 -1.569 1.239 11.418 820 H4' DA 98 H4* DA 98 -2.659 -0.830 11.274 821 H3' DA 98 H3* DA 98 -1.407 -0.268 13.633 822 H2' DA 98 1H2* DA 98 0.614 -1.383 13.281 823 H2'' DA 98 2H2* DA 98 -0.298 -2.759 13.968 824 H1' DA 98 H1* DA 98 -0.648 -3.729 11.904 825 H8 DA 98 8H DA 98 2.078 -0.985 11.827 826 H61 DA 98 1H6 DA 98 5.562 -5.330 9.100 827 H62 DA 98 2H6 DA 98 5.555 -3.711 9.777 828 H2 DA 98 2H DA 98 1.415 -6.889 9.425 829 H5' DA 99 1H5* DA 99 -5.018 -3.865 13.986 830 H5'' DA 99 2H5* DA 99 -5.108 -2.253 13.286 831 H4' DA 99 H4* DA 99 -6.979 -3.481 15.361 832 H3' DA 99 H3* DA 99 -6.971 -3.644 12.650 833 H2' DA 99 1H2* DA 99 -7.054 -1.505 11.862 834 H2'' DA 99 2H2* DA 99 -8.737 -1.426 12.430 835 H1' DA 99 H1* DA 99 -8.102 0.066 14.037 836 H8 DA 99 8H DA 99 -5.827 -0.041 11.434 837 H61 DA 99 1H6 DA 99 -1.520 3.034 14.685 838 H62 DA 99 2H6 DA 99 -1.978 2.496 13.082 839 H2 DA 99 2H DA 99 -4.602 1.591 17.514 840 H5' DA 100 1H5* DA 100 -11.524 -2.323 12.972 841 H5'' DA 100 2H5* DA 100 -12.293 -3.606 12.011 842 H4' DA 100 H4* DA 100 -13.188 -1.617 11.155 843 H3' DA 100 H3* DA 100 -11.437 -3.134 9.492 844 H2' DA 100 1H2* DA 100 -9.763 -1.595 9.371 845 H2'' DA 100 2H2* DA 100 -10.782 -0.910 8.069 846 H1' DA 100 H1* DA 100 -11.793 0.658 9.599 847 H8 DA 100 8H DA 100 -8.178 -0.523 10.175 848 H61 DA 100 1H6 DA 100 -6.934 5.461 11.300 849 H62 DA 100 2H6 DA 100 -6.234 3.866 11.110 850 H2 DA 100 2H DA 100 -11.316 5.034 10.767 851 H5' DA 101 1H5* DA 101 -11.690 0.709 7.534 852 H5'' DA 101 2H5* DA 101 -12.990 1.791 8.068 853 H4' DA 101 H4* DA 101 -13.533 2.432 5.841 854 H3' DA 101 H3* DA 101 -13.076 -0.042 4.921 855 HO3' DA 101 H3T DA 101 -12.711 0.866 2.857 856 H2' DA 101 1H2* DA 101 -10.818 -0.195 5.637 857 H2'' DA 101 2H2* DA 101 -10.585 0.246 3.912 858 H1' DA 101 H1* DA 101 -10.183 2.487 4.405 859 H8 DA 101 8H DA 101 -8.978 -0.322 6.473 860 H61 DA 101 1H6 DA 101 -4.727 3.544 8.810 861 H62 DA 101 2H6 DA 101 -5.202 1.860 8.649 862 H2 DA 101 2H DA 101 -7.786 5.977 6.726 Start of MODEL 7 1 H1 MET 1 1H MET 1 -16.962 -23.037 -6.338 2 H2 MET 1 2H MET 1 -16.803 -21.961 -7.564 3 H3 MET 1 3H MET 1 -18.300 -22.305 -6.963 4 HA MET 1 HA MET 1 -17.578 -20.171 -6.209 5 HB2 MET 1 2HB MET 1 -17.957 -20.503 -3.819 6 HB3 MET 1 1HB MET 1 -19.058 -21.520 -4.760 7 HG2 MET 1 2HG MET 1 -17.558 -23.461 -4.387 8 HG3 MET 1 1HG MET 1 -16.464 -22.429 -3.455 9 HE1 MET 1 1HE MET 1 -16.486 -24.176 -1.518 10 HE2 MET 1 2HE MET 1 -17.965 -24.798 -0.745 11 HE3 MET 1 3HE MET 1 -17.593 -25.215 -2.436 12 H SER 2 H SER 2 -16.184 -19.028 -4.610 13 HA SER 2 HA SER 2 -14.153 -18.248 -4.045 14 HB2 SER 2 2HB SER 2 -14.347 -20.176 -2.505 15 HB3 SER 2 1HB SER 2 -13.428 -21.168 -3.660 16 HG SER 2 HG SER 2 -12.139 -20.196 -1.996 17 H GLU 3 H GLU 3 -11.629 -18.619 -4.417 18 HA GLU 3 HA GLU 3 -11.162 -19.337 -7.261 19 HB2 GLU 3 2HB GLU 3 -9.810 -17.333 -7.571 20 HB3 GLU 3 1HB GLU 3 -11.453 -16.893 -7.090 21 HG2 GLU 3 2HG GLU 3 -10.672 -16.609 -4.736 22 HG3 GLU 3 1HG GLU 3 -9.031 -17.028 -5.255 23 H GLN 4 H GLN 4 -10.636 -20.401 -4.400 24 HA GLN 4 HA GLN 4 -9.127 -21.638 -3.318 25 HB2 GLN 4 2HB GLN 4 -7.611 -21.680 -5.939 26 HB3 GLN 4 1HB GLN 4 -7.420 -22.822 -4.608 27 HG2 GLN 4 2HG GLN 4 -9.987 -22.427 -6.213 28 HG3 GLN 4 1HG GLN 4 -8.814 -23.713 -6.475 29 HE21 GLN 4 1HE2 GLN 4 -11.536 -25.156 -4.400 30 HE22 GLN 4 2HE2 GLN 4 -11.371 -24.484 -6.009 31 H LEU 5 H LEU 5 -8.050 -18.638 -4.621 32 HA LEU 5 HA LEU 5 -5.671 -18.679 -2.809 33 HB2 LEU 5 2HB LEU 5 -6.245 -17.292 -5.446 34 HB3 LEU 5 1HB LEU 5 -4.982 -16.730 -4.350 35 HG LEU 5 HG LEU 5 -4.052 -18.063 -6.132 36 HD11 LEU 5 1HD1 LEU 5 -2.716 -19.611 -4.801 37 HD12 LEU 5 2HD1 LEU 5 -2.963 -18.090 -3.914 38 HD13 LEU 5 3HD1 LEU 5 -3.898 -19.551 -3.481 39 HD21 LEU 5 1HD2 LEU 5 -4.423 -20.404 -6.446 40 HD22 LEU 5 2HD2 LEU 5 -5.523 -20.490 -5.064 41 HD23 LEU 5 3HD2 LEU 5 -5.992 -19.582 -6.527 42 H THR 6 H THR 6 -5.411 -17.058 -1.383 43 HA THR 6 HA THR 6 -7.529 -14.959 -1.239 44 HB THR 6 HB THR 6 -7.834 -16.573 0.550 45 HG1 THR 6 1HG THR 6 -7.672 -15.112 2.242 46 HG21 THR 6 1HG2 THR 6 -4.942 -15.944 1.284 47 HG22 THR 6 2HG2 THR 6 -6.080 -16.878 2.287 48 HG23 THR 6 3HG2 THR 6 -5.565 -17.509 0.713 49 H ASP 7 H ASP 7 -6.674 -13.006 0.111 50 HA ASP 7 HA ASP 7 -4.340 -12.033 -1.275 51 HB2 ASP 7 2HB ASP 7 -5.846 -11.017 1.168 52 HB3 ASP 7 1HB ASP 7 -4.585 -10.108 0.331 53 H GLN 8 H GLN 8 -4.780 -13.862 1.669 54 HA GLN 8 HA GLN 8 -2.412 -13.024 3.024 55 HB2 GLN 8 2HB GLN 8 -4.414 -14.361 3.915 56 HB3 GLN 8 1HB GLN 8 -3.671 -15.783 3.159 57 HG2 GLN 8 2HG GLN 8 -1.586 -15.364 4.457 58 HG3 GLN 8 1HG GLN 8 -2.378 -13.997 5.257 59 HE21 GLN 8 1HE2 GLN 8 -2.720 -16.771 7.638 60 HE22 GLN 8 2HE2 GLN 8 -1.480 -15.698 7.020 61 H VAL 9 H VAL 9 -3.053 -15.666 0.656 62 HA VAL 9 HA VAL 9 -0.329 -16.677 0.876 63 HB VAL 9 HB VAL 9 -2.136 -18.228 0.455 64 HG11 VAL 9 1HG1 VAL 9 -2.733 -16.560 -2.006 65 HG12 VAL 9 2HG1 VAL 9 -3.487 -18.126 -1.595 66 HG13 VAL 9 3HG1 VAL 9 -3.722 -16.722 -0.534 67 HG21 VAL 9 1HG2 VAL 9 -0.574 -17.892 -2.141 68 HG22 VAL 9 2HG2 VAL 9 0.052 -18.692 -0.678 69 HG23 VAL 9 3HG2 VAL 9 -1.345 -19.372 -1.537 70 H LEU 10 H LEU 10 -2.038 -14.293 -1.065 71 HA LEU 10 HA LEU 10 -0.145 -14.150 -3.224 72 HB2 LEU 10 2HB LEU 10 -2.087 -12.171 -1.963 73 HB3 LEU 10 1HB LEU 10 -1.099 -11.780 -3.376 74 HG LEU 10 HG LEU 10 -3.090 -14.097 -3.265 75 HD11 LEU 10 1HD1 LEU 10 -3.180 -11.403 -4.679 76 HD12 LEU 10 2HD1 LEU 10 -4.392 -12.703 -4.834 77 HD13 LEU 10 3HD1 LEU 10 -4.199 -11.851 -3.282 78 HD21 LEU 10 1HD2 LEU 10 -1.246 -14.474 -4.849 79 HD22 LEU 10 2HD2 LEU 10 -2.731 -14.035 -5.726 80 HD23 LEU 10 3HD2 LEU 10 -1.472 -12.797 -5.473 81 H VAL 11 H VAL 11 -0.253 -12.815 0.061 82 HA VAL 11 HA VAL 11 1.906 -10.927 -0.413 83 HB VAL 11 HB VAL 11 0.450 -11.923 2.057 84 HG11 VAL 11 1HG1 VAL 11 2.625 -9.815 1.763 85 HG12 VAL 11 2HG1 VAL 11 1.569 -9.975 3.191 86 HG13 VAL 11 3HG1 VAL 11 2.701 -11.277 2.767 87 HG21 VAL 11 1HG2 VAL 11 -0.781 -10.485 0.419 88 HG22 VAL 11 2HG2 VAL 11 -0.559 -9.708 2.000 89 HG23 VAL 11 3HG2 VAL 11 0.469 -9.237 0.623 90 H GLU 12 H GLU 12 1.633 -14.250 0.948 91 HA GLU 12 HA GLU 12 4.320 -14.229 1.977 92 HB2 GLU 12 2HB GLU 12 2.554 -16.566 1.147 93 HB3 GLU 12 1HB GLU 12 4.059 -16.673 2.086 94 HG2 GLU 12 2HG GLU 12 3.008 -15.076 3.762 95 HG3 GLU 12 1HG GLU 12 1.484 -15.284 2.903 96 H ARG 13 H ARG 13 2.901 -14.958 -1.196 97 HA ARG 13 HA ARG 13 5.193 -16.249 -2.338 98 HB2 ARG 13 2HB ARG 13 2.834 -14.698 -3.466 99 HB3 ARG 13 1HB ARG 13 4.074 -15.416 -4.513 100 HG2 ARG 13 2HG ARG 13 3.598 -17.637 -3.698 101 HG3 ARG 13 1HG ARG 13 2.506 -17.016 -2.448 102 HD2 ARG 13 2HD ARG 13 0.947 -16.198 -4.148 103 HD3 ARG 13 1HD ARG 13 2.080 -16.637 -5.438 104 HE ARG 13 HE ARG 13 1.434 -18.913 -3.788 105 HH11 ARG 13 1HH1 ARG 13 0.127 -16.877 -6.365 106 HH12 ARG 13 2HH1 ARG 13 -0.824 -18.173 -7.058 107 HH21 ARG 13 1HH2 ARG 13 0.188 -20.578 -4.714 108 HH22 ARG 13 2HH2 ARG 13 -0.795 -20.255 -6.123 109 H VAL 14 H VAL 14 4.223 -12.759 -2.252 110 HA VAL 14 HA VAL 14 6.529 -12.053 -3.838 111 HB VAL 14 HB VAL 14 4.768 -10.646 -4.110 112 HG11 VAL 14 1HG1 VAL 14 3.459 -11.194 -2.111 113 HG12 VAL 14 2HG1 VAL 14 4.533 -10.164 -1.120 114 HG13 VAL 14 3HG1 VAL 14 3.533 -9.460 -2.431 115 HG21 VAL 14 1HG2 VAL 14 6.908 -9.392 -3.851 116 HG22 VAL 14 2HG2 VAL 14 5.494 -8.425 -3.368 117 HG23 VAL 14 3HG2 VAL 14 6.522 -9.141 -2.122 118 H GLN 15 H GLN 15 6.112 -12.663 -0.398 119 HA GLN 15 HA GLN 15 8.606 -11.369 0.332 120 HB2 GLN 15 2HB GLN 15 7.006 -13.610 1.640 121 HB3 GLN 15 1HB GLN 15 8.487 -12.909 2.308 122 HG2 GLN 15 2HG GLN 15 7.406 -10.647 2.247 123 HG3 GLN 15 1HG GLN 15 5.897 -11.409 1.740 124 HE21 GLN 15 1HE2 GLN 15 5.723 -10.953 5.429 125 HE22 GLN 15 2HE2 GLN 15 5.702 -9.970 3.981 126 H LYS 16 H LYS 16 7.731 -14.527 -1.104 127 HA LYS 16 HA LYS 16 10.405 -15.627 -0.778 128 HB2 LYS 16 2HB LYS 16 8.026 -16.455 -2.498 129 HB3 LYS 16 1HB LYS 16 9.479 -17.415 -2.242 130 HG2 LYS 16 2HG LYS 16 7.414 -16.615 -0.162 131 HG3 LYS 16 1HG LYS 16 7.715 -18.238 -0.804 132 HD2 LYS 16 2HD LYS 16 9.965 -18.215 0.233 133 HD3 LYS 16 1HD LYS 16 9.645 -16.577 0.866 134 HE2 LYS 16 2HE LYS 16 7.708 -17.400 2.120 135 HE3 LYS 16 1HE LYS 16 7.957 -19.029 1.474 136 HZ1 LYS 16 1HZ LYS 16 9.862 -17.560 3.180 137 HZ2 LYS 16 2HZ LYS 16 8.887 -18.785 3.677 138 HZ3 LYS 16 3HZ LYS 16 10.085 -19.078 2.590 139 H GLY 17 H GLY 17 8.994 -13.333 -2.906 140 HA2 GLY 17 2HA GLY 17 10.569 -12.083 -4.258 141 HA3 GLY 17 3HA GLY 17 11.374 -13.608 -4.685 142 H ASP 18 H ASP 18 8.056 -14.228 -4.679 143 HA ASP 18 HA ASP 18 7.937 -14.128 -7.601 144 HB2 ASP 18 2HB ASP 18 6.262 -15.271 -5.367 145 HB3 ASP 18 1HB ASP 18 5.564 -15.038 -6.961 146 H GLN 19 H GLN 19 8.046 -11.863 -7.948 147 HA GLN 19 HA GLN 19 6.197 -10.026 -6.768 148 HB2 GLN 19 2HB GLN 19 6.978 -8.489 -8.517 149 HB3 GLN 19 1HB GLN 19 8.332 -9.308 -7.706 150 HG2 GLN 19 2HG GLN 19 8.465 -10.925 -9.592 151 HG3 GLN 19 1HG GLN 19 7.125 -10.101 -10.396 152 HE21 GLN 19 1HE2 GLN 19 10.106 -8.732 -12.032 153 HE22 GLN 19 2HE2 GLN 19 9.175 -10.217 -11.988 154 H LYS 20 H LYS 20 5.764 -12.470 -9.104 155 HA LYS 20 HA LYS 20 3.737 -11.255 -10.712 156 HB2 LYS 20 2HB LYS 20 3.243 -13.559 -11.410 157 HB3 LYS 20 1HB LYS 20 4.967 -13.214 -11.404 158 HG2 LYS 20 2HG LYS 20 5.009 -15.269 -10.424 159 HG3 LYS 20 1HG LYS 20 4.864 -14.281 -8.961 160 HD2 LYS 20 2HD LYS 20 2.355 -14.645 -9.060 161 HD3 LYS 20 1HD LYS 20 2.618 -15.715 -10.451 162 HE2 LYS 20 2HE LYS 20 3.732 -16.101 -7.640 163 HE3 LYS 20 1HE LYS 20 2.386 -16.990 -8.369 164 HZ1 LYS 20 1HZ LYS 20 4.374 -18.251 -8.517 165 HZ2 LYS 20 2HZ LYS 20 3.946 -17.794 -10.040 166 HZ3 LYS 20 3HZ LYS 20 5.190 -17.042 -9.255 167 H ALA 21 H ALA 21 3.690 -12.715 -7.476 168 HA ALA 21 HA ALA 21 0.773 -12.829 -7.405 169 HB1 ALA 21 1HB ALA 21 2.166 -14.353 -6.051 170 HB2 ALA 21 2HB ALA 21 2.841 -12.956 -5.172 171 HB3 ALA 21 3HB ALA 21 1.111 -13.344 -5.030 172 H PHE 22 H PHE 22 3.362 -10.575 -6.336 173 HA PHE 22 HA PHE 22 1.646 -8.732 -5.018 174 HB2 PHE 22 2HB PHE 22 4.073 -8.758 -4.810 175 HB3 PHE 22 1HB PHE 22 4.254 -8.274 -6.499 176 HD1 PHE 22 1HD PHE 22 2.533 -7.198 -3.337 177 HD2 PHE 22 2HD PHE 22 4.510 -5.968 -6.951 178 HE1 PHE 22 1HE PHE 22 2.410 -4.828 -2.602 179 HE2 PHE 22 2HE PHE 22 4.364 -3.605 -6.229 180 HZ PHE 22 HZ PHE 22 3.304 -3.035 -4.054 181 H ASN 23 H ASN 23 2.483 -9.208 -8.483 182 HA ASN 23 HA ASN 23 1.406 -6.742 -9.437 183 HB2 ASN 23 2HB ASN 23 2.841 -8.383 -10.725 184 HB3 ASN 23 1HB ASN 23 1.433 -9.447 -10.835 185 HD21 ASN 23 1HD2 ASN 23 0.963 -7.784 -13.954 186 HD22 ASN 23 2HD2 ASN 23 1.617 -9.222 -13.182 187 H LEU 24 H LEU 24 -0.060 -9.963 -8.852 188 HA LEU 24 HA LEU 24 -2.653 -9.148 -9.858 189 HB2 LEU 24 2HB LEU 24 -1.793 -11.514 -8.144 190 HB3 LEU 24 1HB LEU 24 -3.342 -11.372 -8.995 191 HG LEU 24 HG LEU 24 -0.617 -11.355 -10.376 192 HD11 LEU 24 1HD1 LEU 24 -2.641 -13.598 -10.023 193 HD12 LEU 24 2HD1 LEU 24 -1.160 -13.674 -11.012 194 HD13 LEU 24 3HD1 LEU 24 -1.042 -13.484 -9.248 195 HD21 LEU 24 1HD2 LEU 24 -3.446 -11.615 -11.467 196 HD22 LEU 24 2HD2 LEU 24 -2.334 -10.237 -11.694 197 HD23 LEU 24 3HD2 LEU 24 -1.946 -11.814 -12.407 198 H LEU 25 H LEU 25 -0.948 -8.911 -6.839 199 HA LEU 25 HA LEU 25 -3.352 -8.604 -5.215 200 HB2 LEU 25 2HB LEU 25 -1.187 -9.665 -4.463 201 HB3 LEU 25 1HB LEU 25 -0.427 -8.072 -4.565 202 HG LEU 25 HG LEU 25 -2.077 -7.229 -2.867 203 HD11 LEU 25 1HD1 LEU 25 -3.341 -8.973 -1.578 204 HD12 LEU 25 2HD1 LEU 25 -3.906 -8.853 -3.258 205 HD13 LEU 25 3HD1 LEU 25 -2.830 -10.186 -2.779 206 HD21 LEU 25 1HD2 LEU 25 -0.488 -9.709 -2.088 207 HD22 LEU 25 2HD2 LEU 25 0.169 -8.062 -2.220 208 HD23 LEU 25 3HD2 LEU 25 -1.042 -8.431 -0.972 209 H VAL 26 H VAL 26 -1.025 -6.559 -6.931 210 HA VAL 26 HA VAL 26 -1.725 -4.093 -5.597 211 HB VAL 26 HB VAL 26 -0.220 -4.821 -8.125 212 HG11 VAL 26 1HG1 VAL 26 -1.377 -2.719 -8.681 213 HG12 VAL 26 2HG1 VAL 26 -0.885 -2.012 -7.125 214 HG13 VAL 26 3HG1 VAL 26 0.334 -2.400 -8.354 215 HG21 VAL 26 1HG2 VAL 26 0.839 -5.047 -5.840 216 HG22 VAL 26 2HG2 VAL 26 1.649 -3.865 -6.895 217 HG23 VAL 26 3HG2 VAL 26 0.564 -3.313 -5.597 218 H VAL 27 H VAL 27 -2.594 -5.468 -8.831 219 HA VAL 27 HA VAL 27 -4.235 -3.257 -9.539 220 HB VAL 27 HB VAL 27 -3.279 -4.941 -11.088 221 HG11 VAL 27 1HG1 VAL 27 -5.517 -6.750 -10.075 222 HG12 VAL 27 2HG1 VAL 27 -4.400 -7.088 -11.417 223 HG13 VAL 27 3HG1 VAL 27 -3.781 -6.977 -9.757 224 HG21 VAL 27 1HG2 VAL 27 -5.147 -3.470 -11.796 225 HG22 VAL 27 2HG2 VAL 27 -5.194 -5.051 -12.604 226 HG23 VAL 27 3HG2 VAL 27 -6.311 -4.709 -11.267 227 H ARG 28 H ARG 28 -4.853 -6.000 -7.462 228 HA ARG 28 HA ARG 28 -7.739 -5.913 -7.530 229 HB2 ARG 28 2HB ARG 28 -6.556 -7.897 -6.868 230 HB3 ARG 28 1HB ARG 28 -5.654 -7.020 -5.617 231 HG2 ARG 28 2HG ARG 28 -7.622 -6.700 -4.288 232 HG3 ARG 28 1HG ARG 28 -8.675 -7.336 -5.567 233 HD2 ARG 28 2HD ARG 28 -6.450 -8.960 -4.257 234 HD3 ARG 28 1HD ARG 28 -8.134 -8.969 -3.695 235 HE ARG 28 HE ARG 28 -8.155 -9.508 -6.471 236 HH11 ARG 28 1HH1 ARG 28 -7.005 -11.049 -3.493 237 HH12 ARG 28 2HH1 ARG 28 -7.293 -12.664 -4.095 238 HH21 ARG 28 1HH2 ARG 28 -8.481 -11.629 -7.222 239 HH22 ARG 28 2HH2 ARG 28 -8.107 -12.990 -6.196 240 H TYR 29 H TYR 29 -5.259 -4.644 -5.250 241 HA TYR 29 HA TYR 29 -7.333 -3.153 -3.814 242 HB2 TYR 29 2HB TYR 29 -4.406 -3.676 -3.360 243 HB3 TYR 29 1HB TYR 29 -5.276 -2.444 -2.449 244 HD1 TYR 29 1HD TYR 29 -5.408 -6.092 -3.332 245 HD2 TYR 29 2HD TYR 29 -6.615 -2.985 -0.609 246 HE1 TYR 29 1HE TYR 29 -6.379 -7.796 -1.832 247 HE2 TYR 29 2HE TYR 29 -7.609 -4.688 0.895 248 HH TYR 29 HH TYR 29 -7.551 -8.179 0.119 249 H GLN 30 H GLN 30 -5.380 -2.567 -6.547 250 HA GLN 30 HA GLN 30 -4.684 0.147 -6.237 251 HB2 GLN 30 2HB GLN 30 -3.845 -1.273 -8.008 252 HB3 GLN 30 1HB GLN 30 -5.484 -1.520 -8.648 253 HG2 GLN 30 2HG GLN 30 -5.605 0.805 -9.329 254 HG3 GLN 30 1HG GLN 30 -4.052 1.165 -8.529 255 HE21 GLN 30 1HE2 GLN 30 -4.123 -1.056 -12.055 256 HE22 GLN 30 2HE2 GLN 30 -5.522 -1.023 -11.003 257 H HIS 31 H HIS 31 -7.829 -1.379 -6.779 258 HA HIS 31 HA HIS 31 -9.139 1.128 -7.543 259 HB2 HIS 31 2HB HIS 31 -10.264 -1.555 -6.674 260 HB3 HIS 31 1HB HIS 31 -11.190 -0.215 -7.360 261 HD2 HIS 31 2HD HIS 31 -9.294 -3.273 -8.345 262 HE1 HIS 31 1HE HIS 31 -9.689 -1.061 -11.955 263 HE2 HIS 31 2HE HIS 31 -9.044 -3.317 -10.948 264 H LYS 32 H LYS 32 -8.514 -0.702 -4.567 265 HA LYS 32 HA LYS 32 -10.452 0.903 -3.041 266 HB2 LYS 32 2HB LYS 32 -8.514 -1.308 -2.215 267 HB3 LYS 32 1HB LYS 32 -9.687 -0.506 -1.152 268 HG2 LYS 32 2HG LYS 32 -10.920 -2.341 -1.776 269 HG3 LYS 32 1HG LYS 32 -11.430 -1.168 -3.002 270 HD2 LYS 32 2HD LYS 32 -9.389 -2.235 -4.375 271 HD3 LYS 32 1HD LYS 32 -9.635 -3.587 -3.260 272 HE2 LYS 32 2HE LYS 32 -11.737 -2.306 -5.057 273 HE3 LYS 32 1HE LYS 32 -10.903 -3.829 -5.380 274 HZ1 LYS 32 1HZ LYS 32 -12.676 -3.316 -3.085 275 HZ2 LYS 32 2HZ LYS 32 -13.045 -4.224 -4.405 276 HZ3 LYS 32 3HZ LYS 32 -11.873 -4.723 -3.369 277 H VAL 33 H VAL 33 -6.918 0.587 -3.322 278 HA VAL 33 HA VAL 33 -6.313 2.360 -1.150 279 HB VAL 33 HB VAL 33 -4.861 0.545 -2.220 280 HG11 VAL 33 1HG1 VAL 33 -5.176 1.315 -4.591 281 HG12 VAL 33 2HG1 VAL 33 -4.249 2.784 -4.189 282 HG13 VAL 33 3HG1 VAL 33 -3.466 1.192 -4.108 283 HG21 VAL 33 1HG2 VAL 33 -2.773 1.755 -1.834 284 HG22 VAL 33 2HG2 VAL 33 -3.632 3.306 -1.925 285 HG23 VAL 33 3HG2 VAL 33 -3.978 2.166 -0.592 286 H ALA 34 H ALA 34 -7.059 2.766 -4.579 287 HA ALA 34 HA ALA 34 -6.104 5.501 -4.725 288 HB1 ALA 34 1HB ALA 34 -7.982 3.917 -6.528 289 HB2 ALA 34 2HB ALA 34 -7.196 5.461 -6.933 290 HB3 ALA 34 3HB ALA 34 -6.209 4.002 -6.685 291 H SER 35 H SER 35 -9.151 3.888 -3.856 292 HA SER 35 HA SER 35 -10.780 6.250 -4.071 293 HB2 SER 35 2HB SER 35 -11.643 3.917 -4.052 294 HB3 SER 35 1HB SER 35 -11.136 3.759 -2.361 295 HG SER 35 HG SER 35 -13.349 4.375 -2.583 296 H LEU 36 H LEU 36 -8.569 4.966 -1.629 297 HA LEU 36 HA LEU 36 -9.555 6.637 0.505 298 HB2 LEU 36 2HB LEU 36 -8.209 4.500 0.763 299 HB3 LEU 36 1HB LEU 36 -6.802 5.380 0.157 300 HG LEU 36 HG LEU 36 -7.077 7.049 2.023 301 HD11 LEU 36 1HD1 LEU 36 -8.430 6.348 3.983 302 HD12 LEU 36 2HD1 LEU 36 -9.459 6.649 2.572 303 HD13 LEU 36 3HD1 LEU 36 -9.074 4.980 3.053 304 HD21 LEU 36 1HD2 LEU 36 -5.448 5.249 2.133 305 HD22 LEU 36 2HD2 LEU 36 -6.169 5.499 3.741 306 HD23 LEU 36 3HD2 LEU 36 -6.692 4.124 2.733 307 H VAL 37 H VAL 37 -6.799 6.866 -1.799 308 HA VAL 37 HA VAL 37 -5.954 9.349 -0.539 309 HB VAL 37 HB VAL 37 -4.305 7.739 -1.159 310 HG11 VAL 37 1HG1 VAL 37 -5.369 6.683 -3.094 311 HG12 VAL 37 2HG1 VAL 37 -5.181 8.179 -4.034 312 HG13 VAL 37 3HG1 VAL 37 -3.740 7.276 -3.503 313 HG21 VAL 37 1HG2 VAL 37 -4.046 10.077 -3.079 314 HG22 VAL 37 2HG2 VAL 37 -3.872 10.250 -1.317 315 HG23 VAL 37 3HG2 VAL 37 -2.755 9.195 -2.227 316 H SER 38 H SER 38 -7.998 8.546 -3.274 317 HA SER 38 HA SER 38 -7.659 10.967 -4.756 318 HB2 SER 38 2HB SER 38 -9.865 10.471 -5.678 319 HB3 SER 38 1HB SER 38 -8.890 8.990 -5.593 320 HG SER 38 HG SER 38 -11.039 8.730 -4.783 321 H ARG 39 H ARG 39 -9.008 10.351 -1.610 322 HA ARG 39 HA ARG 39 -10.738 12.667 -1.491 323 HB2 ARG 39 2HB ARG 39 -9.506 10.956 0.696 324 HB3 ARG 39 1HB ARG 39 -10.851 12.094 0.882 325 HG2 ARG 39 2HG ARG 39 -12.197 10.744 -0.731 326 HG3 ARG 39 1HG ARG 39 -10.840 9.607 -0.881 327 HD2 ARG 39 2HD ARG 39 -12.498 8.729 0.666 328 HD3 ARG 39 1HD ARG 39 -10.980 9.067 1.502 329 HE ARG 39 HE ARG 39 -13.489 10.684 1.677 330 HH11 ARG 39 1HH1 ARG 39 -10.300 9.849 2.953 331 HH12 ARG 39 2HH1 ARG 39 -10.528 10.745 4.436 332 HH21 ARG 39 1HH2 ARG 39 -13.762 11.847 3.617 333 HH22 ARG 39 2HH2 ARG 39 -12.479 11.880 4.802 334 H TYR 40 H TYR 40 -7.326 12.310 -1.480 335 HA TYR 40 HA TYR 40 -7.024 14.830 0.100 336 HB2 TYR 40 2HB TYR 40 -5.139 12.461 -0.051 337 HB3 TYR 40 1HB TYR 40 -4.858 13.955 0.843 338 HD1 TYR 40 1HD TYR 40 -6.739 14.613 2.587 339 HD2 TYR 40 2HD TYR 40 -6.089 10.646 1.070 340 HE1 TYR 40 1HE TYR 40 -7.895 13.670 4.570 341 HE2 TYR 40 2HE TYR 40 -7.249 9.692 3.042 342 HH TYR 40 HH TYR 40 -8.573 11.769 5.651 343 H VAL 41 H VAL 41 -6.253 13.144 -2.896 344 HA VAL 41 HA VAL 41 -4.831 15.617 -3.756 345 HB VAL 41 HB VAL 41 -3.240 14.414 -5.024 346 HG11 VAL 41 1HG1 VAL 41 -1.965 13.277 -3.281 347 HG12 VAL 41 2HG1 VAL 41 -2.738 14.734 -2.615 348 HG13 VAL 41 3HG1 VAL 41 -3.415 13.131 -2.262 349 HG21 VAL 41 1HG2 VAL 41 -4.639 11.875 -4.142 350 HG22 VAL 41 2HG2 VAL 41 -4.545 12.531 -5.799 351 HG23 VAL 41 3HG2 VAL 41 -3.077 11.953 -4.996 352 HA PRO 42 HA PRO 42 -7.715 15.788 -7.012 353 HB2 PRO 42 2HB PRO 42 -5.385 16.417 -8.813 354 HB3 PRO 42 1HB PRO 42 -6.922 17.325 -8.604 355 HG2 PRO 42 2HG PRO 42 -4.635 18.226 -7.448 356 HG3 PRO 42 1HG PRO 42 -6.176 18.232 -6.517 357 HD2 PRO 42 2HD PRO 42 -3.933 16.197 -6.452 358 HD3 PRO 42 1HD PRO 42 -4.777 16.994 -5.085 359 H SER 43 H SER 43 -8.518 14.623 -8.824 360 HA SER 43 HA SER 43 -7.611 11.943 -9.036 361 HB2 SER 43 2HB SER 43 -9.330 11.775 -10.810 362 HB3 SER 43 1HB SER 43 -9.939 12.618 -9.365 363 HG SER 43 HG SER 43 -10.468 13.714 -11.301 364 H GLY 44 H GLY 44 -6.426 14.793 -10.561 365 HA2 GLY 44 2HA GLY 44 -5.448 13.477 -12.981 366 HA3 GLY 44 3HA GLY 44 -5.111 15.130 -12.428 367 H ASP 45 H ASP 45 -4.402 13.710 -9.684 368 HA ASP 45 HA ASP 45 -1.639 12.907 -10.483 369 HB2 ASP 45 2HB ASP 45 -2.539 14.550 -8.086 370 HB3 ASP 45 1HB ASP 45 -0.892 13.982 -8.373 371 H VAL 46 H VAL 46 -4.531 11.876 -9.089 372 HA VAL 46 HA VAL 46 -3.507 10.586 -6.781 373 HB VAL 46 HB VAL 46 -5.873 11.245 -7.173 374 HG11 VAL 46 1HG1 VAL 46 -6.241 10.292 -9.431 375 HG12 VAL 46 2HG1 VAL 46 -6.037 8.652 -8.760 376 HG13 VAL 46 3HG1 VAL 46 -7.396 9.672 -8.230 377 HG21 VAL 46 1HG2 VAL 46 -5.342 8.363 -6.383 378 HG22 VAL 46 2HG2 VAL 46 -5.176 9.812 -5.346 379 HG23 VAL 46 3HG2 VAL 46 -6.777 9.313 -5.954 380 HA PRO 47 HA PRO 47 -3.194 6.554 -9.280 381 HB2 PRO 47 2HB PRO 47 -2.353 6.623 -11.870 382 HB3 PRO 47 1HB PRO 47 -4.088 6.768 -11.434 383 HG2 PRO 47 2HG PRO 47 -2.127 9.023 -11.964 384 HG3 PRO 47 1HG PRO 47 -3.739 8.769 -12.720 385 HD2 PRO 47 2HD PRO 47 -3.454 10.415 -10.623 386 HD3 PRO 47 1HD PRO 47 -4.867 9.322 -10.720 387 H ASP 48 H ASP 48 -1.170 9.404 -9.604 388 HA ASP 48 HA ASP 48 1.316 7.878 -9.855 389 HB2 ASP 48 2HB ASP 48 0.996 10.117 -10.861 390 HB3 ASP 48 1HB ASP 48 0.829 10.809 -9.239 391 H VAL 49 H VAL 49 -0.641 9.338 -7.264 392 HA VAL 49 HA VAL 49 1.435 8.968 -5.245 393 HB VAL 49 HB VAL 49 -1.551 9.469 -4.947 394 HG11 VAL 49 1HG1 VAL 49 0.753 9.767 -2.986 395 HG12 VAL 49 2HG1 VAL 49 -0.919 10.285 -2.696 396 HG13 VAL 49 3HG1 VAL 49 -0.559 8.555 -2.904 397 HG21 VAL 49 1HG2 VAL 49 -0.881 11.826 -4.547 398 HG22 VAL 49 2HG2 VAL 49 0.810 11.411 -4.886 399 HG23 VAL 49 3HG2 VAL 49 -0.419 11.317 -6.173 400 H VAL 50 H VAL 50 -1.219 7.095 -6.622 401 HA VAL 50 HA VAL 50 -1.355 5.112 -4.534 402 HB VAL 50 HB VAL 50 -2.244 5.260 -7.429 403 HG11 VAL 50 1HG1 VAL 50 -2.529 2.940 -5.487 404 HG12 VAL 50 2HG1 VAL 50 -3.532 3.141 -6.949 405 HG13 VAL 50 3HG1 VAL 50 -1.779 2.909 -7.097 406 HG21 VAL 50 1HG2 VAL 50 -4.459 5.334 -6.415 407 HG22 VAL 50 2HG2 VAL 50 -3.773 5.043 -4.799 408 HG23 VAL 50 3HG2 VAL 50 -3.444 6.570 -5.646 409 H GLN 51 H GLN 51 0.481 5.369 -7.641 410 HA GLN 51 HA GLN 51 1.598 2.720 -7.381 411 HB2 GLN 51 2HB GLN 51 1.324 3.956 -9.527 412 HB3 GLN 51 1HB GLN 51 2.524 5.148 -8.979 413 HG2 GLN 51 2HG GLN 51 4.235 3.373 -8.824 414 HG3 GLN 51 1HG GLN 51 3.035 2.162 -9.291 415 HE21 GLN 51 1HE2 GLN 51 4.844 2.819 -12.406 416 HE22 GLN 51 2HE2 GLN 51 5.062 1.984 -10.881 417 H GLU 52 H GLU 52 2.501 5.975 -6.261 418 HA GLU 52 HA GLU 52 5.188 5.299 -5.514 419 HB2 GLU 52 2HB GLU 52 4.292 7.609 -5.834 420 HB3 GLU 52 1HB GLU 52 3.282 7.401 -4.399 421 HG2 GLU 52 2HG GLU 52 5.302 8.661 -3.846 422 HG3 GLU 52 1HG GLU 52 5.301 7.115 -3.001 423 H ALA 53 H ALA 53 2.012 4.916 -3.985 424 HA ALA 53 HA ALA 53 3.102 4.203 -1.383 425 HB1 ALA 53 1HB ALA 53 0.756 3.671 -0.865 426 HB2 ALA 53 2HB ALA 53 0.895 5.265 -1.638 427 HB3 ALA 53 3HB ALA 53 0.323 3.867 -2.582 428 H PHE 54 H PHE 54 2.224 2.482 -4.378 429 HA PHE 54 HA PHE 54 2.252 -0.125 -3.100 430 HB2 PHE 54 2HB PHE 54 2.071 0.941 -5.907 431 HB3 PHE 54 1HB PHE 54 2.460 -0.757 -5.659 432 HD1 PHE 54 1HD PHE 54 0.837 -1.677 -3.481 433 HD2 PHE 54 2HD PHE 54 -0.140 1.158 -6.558 434 HE1 PHE 54 1HE PHE 54 -1.575 -2.251 -3.247 435 HE2 PHE 54 2HE PHE 54 -2.535 0.565 -6.351 436 HZ PHE 54 HZ PHE 54 -3.250 -1.150 -4.692 437 H ILE 55 H ILE 55 4.700 1.959 -4.674 438 HA ILE 55 HA ILE 55 6.662 -0.184 -4.784 439 HB ILE 55 HB ILE 55 6.957 2.850 -4.691 440 HG12 ILE 55 2HG1 ILE 55 6.009 2.252 -6.772 441 HG13 ILE 55 1HG1 ILE 55 7.740 2.427 -7.079 442 HG21 ILE 55 1HG2 ILE 55 9.058 0.667 -5.018 443 HG22 ILE 55 2HG2 ILE 55 9.329 2.390 -5.365 444 HG23 ILE 55 3HG2 ILE 55 8.949 1.872 -3.720 445 HD11 ILE 55 1HD1 ILE 55 6.172 -0.160 -6.726 446 HD12 ILE 55 2HD1 ILE 55 6.935 0.438 -8.215 447 HD13 ILE 55 3HD1 ILE 55 7.950 -0.087 -6.848 448 H LYS 56 H LYS 56 5.789 2.317 -2.393 449 HA LYS 56 HA LYS 56 7.768 1.540 -0.466 450 HB2 LYS 56 2HB LYS 56 5.092 2.986 -0.290 451 HB3 LYS 56 1HB LYS 56 6.169 2.736 1.109 452 HG2 LYS 56 2HG LYS 56 7.967 3.904 0.018 453 HG3 LYS 56 1HG LYS 56 7.073 4.008 -1.510 454 HD2 LYS 56 2HD LYS 56 5.515 5.569 -0.672 455 HD3 LYS 56 1HD LYS 56 5.908 5.209 1.012 456 HE2 LYS 56 2HE LYS 56 6.841 7.396 0.238 457 HE3 LYS 56 1HE LYS 56 8.058 6.266 0.849 458 HZ1 LYS 56 1HZ LYS 56 7.463 6.684 -2.008 459 HZ2 LYS 56 2HZ LYS 56 8.734 7.336 -1.205 460 HZ3 LYS 56 3HZ LYS 56 8.627 5.710 -1.392 461 H ALA 57 H ALA 57 4.535 0.299 -1.284 462 HA ALA 57 HA ALA 57 4.317 -1.405 1.025 463 HB1 ALA 57 1HB ALA 57 2.391 -0.721 -0.377 464 HB2 ALA 57 2HB ALA 57 3.069 -1.649 -1.739 465 HB3 ALA 57 3HB ALA 57 2.538 -2.490 -0.267 466 H TYR 58 H TYR 58 5.843 -1.754 -2.206 467 HA TYR 58 HA TYR 58 6.275 -4.610 -1.907 468 HB2 TYR 58 2HB TYR 58 6.096 -3.566 -4.099 469 HB3 TYR 58 1HB TYR 58 7.453 -2.496 -3.745 470 HD1 TYR 58 1HD TYR 58 9.689 -3.162 -4.085 471 HD2 TYR 58 2HD TYR 58 6.515 -6.057 -4.294 472 HE1 TYR 58 1HE TYR 58 11.281 -4.823 -4.999 473 HE2 TYR 58 2HE TYR 58 8.102 -7.730 -5.231 474 HH TYR 58 HH TYR 58 11.559 -6.974 -5.782 475 H ARG 59 H ARG 59 8.323 -1.691 -1.609 476 HA ARG 59 HA ARG 59 10.722 -3.093 -0.910 477 HB2 ARG 59 2HB ARG 59 9.877 -0.218 -0.477 478 HB3 ARG 59 1HB ARG 59 11.537 -0.829 -0.343 479 HG2 ARG 59 2HG ARG 59 9.848 -0.932 -2.884 480 HG3 ARG 59 1HG ARG 59 11.079 0.288 -2.524 481 HD2 ARG 59 2HD ARG 59 12.779 -1.528 -2.369 482 HD3 ARG 59 1HD ARG 59 11.519 -2.710 -2.799 483 HE ARG 59 HE ARG 59 11.531 -0.680 -4.776 484 HH11 ARG 59 1HH1 ARG 59 13.618 -3.270 -3.589 485 HH12 ARG 59 2HH1 ARG 59 14.385 -3.527 -5.142 486 HH21 ARG 59 1HH2 ARG 59 12.551 -1.035 -6.791 487 HH22 ARG 59 2HH2 ARG 59 13.780 -2.268 -6.945 488 H ALA 60 H ALA 60 7.877 -2.509 0.899 489 HA ALA 60 HA ALA 60 9.392 -3.134 3.388 490 HB1 ALA 60 1HB ALA 60 6.766 -1.630 3.120 491 HB2 ALA 60 2HB ALA 60 7.626 -2.003 4.636 492 HB3 ALA 60 3HB ALA 60 8.352 -0.898 3.447 493 H LEU 61 H LEU 61 7.473 -4.555 1.042 494 HA LEU 61 HA LEU 61 5.615 -5.966 2.708 495 HB2 LEU 61 2HB LEU 61 6.261 -5.779 -0.098 496 HB3 LEU 61 1HB LEU 61 6.248 -7.484 0.349 497 HG LEU 61 HG LEU 61 3.988 -5.515 0.952 498 HD11 LEU 61 1HD1 LEU 61 4.255 -5.988 -1.445 499 HD12 LEU 61 2HD1 LEU 61 4.249 -7.733 -1.112 500 HD13 LEU 61 3HD1 LEU 61 2.786 -6.755 -0.795 501 HD21 LEU 61 1HD2 LEU 61 4.081 -7.317 2.602 502 HD22 LEU 61 2HD2 LEU 61 2.740 -7.607 1.479 503 HD23 LEU 61 3HD2 LEU 61 4.260 -8.526 1.304 504 H ASP 62 H ASP 62 8.990 -6.484 1.799 505 HA ASP 62 HA ASP 62 9.058 -9.191 2.858 506 HB2 ASP 62 2HB ASP 62 11.461 -9.020 2.518 507 HB3 ASP 62 1HB ASP 62 10.595 -8.429 1.091 508 H SER 63 H SER 63 8.605 -6.271 4.355 509 HA SER 63 HA SER 63 9.865 -7.238 6.883 510 HB2 SER 63 2HB SER 63 10.846 -5.130 5.953 511 HB3 SER 63 1HB SER 63 9.237 -4.382 6.051 512 HG SER 63 HG SER 63 10.554 -3.962 7.894 513 H PHE 64 H PHE 64 6.980 -6.664 5.167 514 HA PHE 64 HA PHE 64 5.188 -6.003 7.296 515 HB2 PHE 64 2HB PHE 64 4.584 -5.733 4.946 516 HB3 PHE 64 1HB PHE 64 4.879 -7.435 4.637 517 HD1 PHE 64 1HD PHE 64 2.728 -5.229 6.782 518 HD2 PHE 64 2HD PHE 64 3.110 -8.929 4.638 519 HE1 PHE 64 1HE PHE 64 0.353 -5.760 7.278 520 HE2 PHE 64 2HE PHE 64 0.729 -9.457 5.128 521 HZ PHE 64 HZ PHE 64 -0.637 -7.886 6.461 522 H ASP 65 H ASP 65 3.972 -7.316 8.650 523 HA ASP 65 HA ASP 65 4.888 -10.117 8.933 524 HB2 ASP 65 2HB ASP 65 4.866 -8.659 10.921 525 HB3 ASP 65 1HB ASP 65 3.135 -8.365 10.697 526 H ILE 66 H ILE 66 3.808 -11.614 7.798 527 HA ILE 66 HA ILE 66 1.408 -11.059 6.408 528 HB ILE 66 HB ILE 66 2.945 -12.707 5.602 529 HG12 ILE 66 2HG1 ILE 66 1.498 -14.694 5.303 530 HG13 ILE 66 1HG1 ILE 66 0.409 -14.106 6.560 531 HG21 ILE 66 1HG2 ILE 66 3.978 -13.422 7.673 532 HG22 ILE 66 2HG2 ILE 66 2.466 -14.209 8.205 533 HG23 ILE 66 3HG2 ILE 66 3.373 -14.833 6.801 534 HD11 ILE 66 1HD1 ILE 66 -0.384 -13.499 4.276 535 HD12 ILE 66 2HD1 ILE 66 -0.005 -12.039 5.212 536 HD13 ILE 66 3HD1 ILE 66 1.141 -12.637 3.986 537 H ASN 67 H ASN 67 1.943 -12.157 9.701 538 HA ASN 67 HA ASN 67 -0.670 -13.379 9.943 539 HB2 ASN 67 2HB ASN 67 1.338 -12.597 12.083 540 HB3 ASN 67 1HB ASN 67 -0.071 -13.663 12.258 541 HD21 ASN 67 1HD2 ASN 67 1.381 -16.354 10.294 542 HD22 ASN 67 2HD2 ASN 67 -0.141 -15.534 10.562 543 H ARG 68 H ARG 68 0.041 -10.291 9.457 544 HA ARG 68 HA ARG 68 -2.126 -9.202 11.217 545 HB2 ARG 68 2HB ARG 68 0.210 -7.840 9.846 546 HB3 ARG 68 1HB ARG 68 -1.013 -7.006 10.799 547 HG2 ARG 68 2HG ARG 68 0.901 -9.113 11.900 548 HG3 ARG 68 1HG ARG 68 1.125 -7.366 12.017 549 HD2 ARG 68 2HD ARG 68 0.230 -8.016 14.095 550 HD3 ARG 68 1HD ARG 68 -1.105 -7.238 13.227 551 HE ARG 68 HE ARG 68 -1.175 -10.042 12.737 552 HH11 ARG 68 1HH1 ARG 68 -1.662 -7.768 15.401 553 HH12 ARG 68 2HH1 ARG 68 -2.802 -8.805 16.229 554 HH21 ARG 68 1HH2 ARG 68 -2.657 -11.358 13.823 555 HH22 ARG 68 2HH2 ARG 68 -3.360 -10.843 15.341 556 H LYS 69 H LYS 69 -3.192 -7.231 10.106 557 HA LYS 69 HA LYS 69 -4.519 -8.167 7.748 558 HB2 LYS 69 2HB LYS 69 -4.386 -5.536 9.245 559 HB3 LYS 69 1HB LYS 69 -5.278 -5.664 7.723 560 HG2 LYS 69 2HG LYS 69 -5.808 -7.491 10.098 561 HG3 LYS 69 1HG LYS 69 -6.646 -5.950 9.812 562 HD2 LYS 69 2HD LYS 69 -7.410 -6.751 7.601 563 HD3 LYS 69 1HD LYS 69 -6.602 -8.311 7.889 564 HE2 LYS 69 2HE LYS 69 -8.943 -8.538 8.416 565 HE3 LYS 69 1HE LYS 69 -8.001 -8.610 9.921 566 HZ1 LYS 69 1HZ LYS 69 -9.425 -6.236 8.911 567 HZ2 LYS 69 2HZ LYS 69 -9.937 -7.209 10.133 568 HZ3 LYS 69 3HZ LYS 69 -8.569 -6.318 10.312 569 H PHE 70 H PHE 70 -3.930 -8.118 5.705 570 HA PHE 70 HA PHE 70 -1.574 -6.706 4.766 571 HB2 PHE 70 2HB PHE 70 -2.686 -7.464 2.505 572 HB3 PHE 70 1HB PHE 70 -1.982 -8.664 3.587 573 HD1 PHE 70 1HD PHE 70 -5.240 -7.195 2.504 574 HD2 PHE 70 2HD PHE 70 -3.228 -10.374 4.582 575 HE1 PHE 70 1HE PHE 70 -7.372 -8.449 2.664 576 HE2 PHE 70 2HE PHE 70 -5.364 -11.630 4.731 577 HZ PHE 70 HZ PHE 70 -7.437 -10.663 3.778 578 H SER 71 H SER 71 -5.077 -6.064 4.802 579 HA SER 71 HA SER 71 -4.836 -3.893 2.880 580 HB2 SER 71 2HB SER 71 -7.267 -3.638 3.332 581 HB3 SER 71 1HB SER 71 -6.770 -5.279 2.854 582 HG SER 71 HG SER 71 -8.167 -5.310 4.664 583 H THR 72 H THR 72 -5.439 -4.102 6.452 584 HA THR 72 HA THR 72 -5.841 -1.323 6.832 585 HB THR 72 HB THR 72 -4.536 -3.327 8.703 586 HG1 THR 72 1HG THR 72 -6.680 -3.631 9.426 587 HG21 THR 72 1HG2 THR 72 -5.553 -1.873 10.489 588 HG22 THR 72 2HG2 THR 72 -4.312 -1.034 9.541 589 HG23 THR 72 3HG2 THR 72 -6.035 -0.723 9.225 590 H TRP 73 H TRP 73 -2.871 -3.265 6.584 591 HA TRP 73 HA TRP 73 -1.092 -1.072 7.310 592 HB2 TRP 73 2HB TRP 73 -0.489 -3.312 7.856 593 HB3 TRP 73 1HB TRP 73 -0.791 -3.867 6.214 594 HD1 TRP 73 HD TRP 73 1.877 -2.091 8.295 595 HE1 TRP 73 1HE TRP 73 4.098 -2.214 7.053 596 HE3 TRP 73 3HE TRP 73 0.163 -3.801 3.812 597 HZ2 TRP 73 2HZ TRP 73 5.041 -3.076 4.426 598 HZ3 TRP 73 3HZ TRP 73 1.728 -4.210 1.935 599 HH2 TRP 73 HH TRP 73 4.172 -3.864 2.249 600 H LEU 74 H LEU 74 -2.564 -2.345 4.346 601 HA LEU 74 HA LEU 74 -0.716 -0.994 2.558 602 HB2 LEU 74 2HB LEU 74 -1.978 -2.975 1.825 603 HB3 LEU 74 1HB LEU 74 -3.505 -2.152 2.169 604 HG LEU 74 HG LEU 74 -3.101 -0.524 0.395 605 HD11 LEU 74 1HD1 LEU 74 -0.504 -2.031 -0.103 606 HD12 LEU 74 2HD1 LEU 74 -1.199 -0.772 -1.156 607 HD13 LEU 74 3HD1 LEU 74 -0.643 -0.353 0.475 608 HD21 LEU 74 1HD2 LEU 74 -4.166 -2.690 -0.151 609 HD22 LEU 74 2HD2 LEU 74 -3.226 -2.054 -1.520 610 HD23 LEU 74 3HD2 LEU 74 -2.569 -3.376 -0.531 611 H TYR 75 H TYR 75 -3.949 -0.268 3.936 612 HA TYR 75 HA TYR 75 -4.320 2.116 2.357 613 HB2 TYR 75 2HB TYR 75 -5.615 1.129 4.919 614 HB3 TYR 75 1HB TYR 75 -6.209 2.477 3.953 615 HD1 TYR 75 1HD TYR 75 -7.297 -0.460 4.796 616 HD2 TYR 75 2HD TYR 75 -5.876 1.358 1.166 617 HE1 TYR 75 1HE TYR 75 -8.708 -2.010 3.481 618 HE2 TYR 75 2HE TYR 75 -7.277 -0.210 -0.159 619 HH TYR 75 HH TYR 75 -9.376 -2.660 1.395 620 H ARG 76 H ARG 76 -2.806 1.413 5.481 621 HA ARG 76 HA ARG 76 -2.715 4.129 6.429 622 HB2 ARG 76 2HB ARG 76 -2.481 2.166 7.886 623 HB3 ARG 76 1HB ARG 76 -1.052 1.634 6.998 624 HG2 ARG 76 2HG ARG 76 -0.503 2.688 9.161 625 HG3 ARG 76 1HG ARG 76 0.229 3.553 7.799 626 HD2 ARG 76 2HD ARG 76 -1.309 5.342 7.969 627 HD3 ARG 76 1HD ARG 76 -2.436 4.391 8.969 628 HE ARG 76 HE ARG 76 -0.216 4.422 10.527 629 HH11 ARG 76 1HH1 ARG 76 -1.959 7.036 8.907 630 HH12 ARG 76 2HH1 ARG 76 -1.560 8.212 10.140 631 HH21 ARG 76 1HH2 ARG 76 0.297 5.963 12.088 632 HH22 ARG 76 2HH2 ARG 76 -0.270 7.609 11.934 633 H ILE 77 H ILE 77 -0.699 2.187 4.253 634 HA ILE 77 HA ILE 77 1.508 4.088 4.275 635 HB ILE 77 HB ILE 77 0.773 1.627 2.655 636 HG12 ILE 77 2HG1 ILE 77 2.944 2.347 4.675 637 HG13 ILE 77 1HG1 ILE 77 1.522 1.358 4.993 638 HG21 ILE 77 1HG2 ILE 77 3.247 3.380 2.313 639 HG22 ILE 77 2HG2 ILE 77 2.977 1.793 1.551 640 HG23 ILE 77 3HG2 ILE 77 1.948 3.151 1.118 641 HD11 ILE 77 1HD1 ILE 77 3.810 0.645 3.112 642 HD12 ILE 77 2HD1 ILE 77 3.447 -0.085 4.685 643 HD13 ILE 77 3HD1 ILE 77 2.320 -0.317 3.328 644 H ALA 78 H ALA 78 -1.445 3.588 2.367 645 HA ALA 78 HA ALA 78 -0.526 5.230 0.168 646 HB1 ALA 78 1HB ALA 78 -3.306 4.282 0.970 647 HB2 ALA 78 2HB ALA 78 -2.845 4.976 -0.609 648 HB3 ALA 78 3HB ALA 78 -2.150 3.424 -0.083 649 H VAL 79 H VAL 79 -2.419 5.845 3.150 650 HA VAL 79 HA VAL 79 -3.061 8.543 2.230 651 HB VAL 79 HB VAL 79 -4.608 7.283 3.634 652 HG11 VAL 79 1HG1 VAL 79 -2.969 6.078 5.030 653 HG12 VAL 79 2HG1 VAL 79 -2.540 7.613 5.836 654 HG13 VAL 79 3HG1 VAL 79 -4.179 6.933 6.005 655 HG21 VAL 79 1HG2 VAL 79 -4.598 9.778 3.654 656 HG22 VAL 79 2HG2 VAL 79 -5.153 9.080 5.193 657 HG23 VAL 79 3HG2 VAL 79 -3.507 9.729 5.064 658 H ASN 80 H ASN 80 -0.514 6.984 4.152 659 HA ASN 80 HA ASN 80 0.528 9.542 5.090 660 HB2 ASN 80 2HB ASN 80 1.666 6.715 5.022 661 HB3 ASN 80 1HB ASN 80 2.538 8.098 5.684 662 HD21 ASN 80 1HD2 ASN 80 1.005 6.562 8.616 663 HD22 ASN 80 2HD2 ASN 80 2.295 6.254 7.467 664 H THR 81 H THR 81 0.990 7.449 2.244 665 HA THR 81 HA THR 81 3.262 8.923 1.221 666 HB THR 81 HB THR 81 1.150 7.177 -0.115 667 HG1 THR 81 1HG THR 81 2.477 6.058 1.244 668 HG21 THR 81 1HG2 THR 81 2.795 7.029 -1.997 669 HG22 THR 81 2HG2 THR 81 2.082 8.638 -1.832 670 HG23 THR 81 3HG2 THR 81 3.735 8.336 -1.235 671 H ALA 82 H ALA 82 -0.232 9.386 1.297 672 HA ALA 82 HA ALA 82 -0.319 11.381 -0.789 673 HB1 ALA 82 1HB ALA 82 -2.252 9.983 0.029 674 HB2 ALA 82 2HB ALA 82 -2.228 10.932 1.538 675 HB3 ALA 82 3HB ALA 82 -2.582 11.740 -0.001 676 H LYS 83 H LYS 83 0.025 11.474 2.811 677 HA LYS 83 HA LYS 83 -0.254 14.324 2.960 678 HB2 LYS 83 2HB LYS 83 1.310 12.517 4.851 679 HB3 LYS 83 1HB LYS 83 0.649 14.129 5.169 680 HG2 LYS 83 2HG LYS 83 -0.714 11.481 5.149 681 HG3 LYS 83 1HG LYS 83 -0.835 12.823 6.276 682 HD2 LYS 83 2HD LYS 83 -2.068 14.098 4.400 683 HD3 LYS 83 1HD LYS 83 -2.173 12.505 3.580 684 HE2 LYS 83 2HE LYS 83 -3.243 11.552 5.565 685 HE3 LYS 83 1HE LYS 83 -3.153 13.122 6.390 686 HZ1 LYS 83 1HZ LYS 83 -4.557 14.035 4.676 687 HZ2 LYS 83 2HZ LYS 83 -4.653 12.582 3.916 688 HZ3 LYS 83 3HZ LYS 83 -5.310 12.769 5.412 689 H ASN 84 H ASN 84 2.507 12.152 2.344 690 HA ASN 84 HA ASN 84 4.466 14.272 2.650 691 HB2 ASN 84 2HB ASN 84 4.629 11.513 1.371 692 HB3 ASN 84 1HB ASN 84 6.006 12.576 1.685 693 HD21 ASN 84 1HD2 ASN 84 5.876 10.159 4.492 694 HD22 ASN 84 2HD2 ASN 84 6.161 10.109 2.763 695 H TYR 85 H TYR 85 2.434 13.078 0.004 696 HA TYR 85 HA TYR 85 3.993 14.415 -2.062 697 HB2 TYR 85 2HB TYR 85 2.603 12.487 -2.594 698 HB3 TYR 85 1HB TYR 85 1.173 13.294 -1.960 699 HD1 TYR 85 1HD TYR 85 3.785 13.576 -4.651 700 HD2 TYR 85 2HD TYR 85 -0.161 14.661 -3.327 701 HE1 TYR 85 1HE TYR 85 3.303 14.534 -6.884 702 HE2 TYR 85 2HE TYR 85 -0.638 15.645 -5.553 703 HH TYR 85 HH TYR 85 1.775 15.620 -8.202 704 H LEU 86 H LEU 86 1.221 15.178 0.043 705 HA LEU 86 HA LEU 86 0.556 17.677 -1.238 706 HB2 LEU 86 2HB LEU 86 0.137 16.555 1.551 707 HB3 LEU 86 1HB LEU 86 -0.494 18.125 1.063 708 HG LEU 86 HG LEU 86 -1.184 15.464 -0.277 709 HD11 LEU 86 1HD1 LEU 86 -2.152 15.716 1.985 710 HD12 LEU 86 2HD1 LEU 86 -2.814 17.304 1.528 711 HD13 LEU 86 3HD1 LEU 86 -3.407 15.830 0.730 712 HD21 LEU 86 1HD2 LEU 86 -1.298 17.293 -1.893 713 HD22 LEU 86 2HD2 LEU 86 -2.928 16.786 -1.439 714 HD23 LEU 86 3HD2 LEU 86 -2.248 18.278 -0.748 715 H VAL 87 H VAL 87 3.087 16.712 1.011 716 HA VAL 87 HA VAL 87 3.820 19.479 1.629 717 HB VAL 87 HB VAL 87 5.185 16.798 2.063 718 HG11 VAL 87 1HG1 VAL 87 6.737 18.058 3.552 719 HG12 VAL 87 2HG1 VAL 87 6.925 18.524 1.853 720 HG13 VAL 87 3HG1 VAL 87 6.037 19.582 2.975 721 HG21 VAL 87 1HG2 VAL 87 4.582 17.191 4.400 722 HG22 VAL 87 2HG2 VAL 87 3.904 18.785 3.987 723 HG23 VAL 87 3HG2 VAL 87 3.119 17.308 3.394 724 H ALA 88 H ALA 88 4.617 16.977 -0.771 725 HA ALA 88 HA ALA 88 6.946 18.336 -1.786 726 HB1 ALA 88 1HB ALA 88 6.800 16.692 -3.591 727 HB2 ALA 88 2HB ALA 88 6.568 15.908 -2.016 728 HB3 ALA 88 3HB ALA 88 5.163 16.231 -3.066 729 H GLN 89 H GLN 89 3.531 18.910 -2.141 730 HA GLN 89 HA GLN 89 4.177 20.753 -4.399 731 HB2 GLN 89 2HB GLN 89 1.405 19.773 -3.711 732 HB3 GLN 89 1HB GLN 89 1.954 20.607 -5.170 733 HG2 GLN 89 2HG GLN 89 2.627 17.766 -4.308 734 HG3 GLN 89 1HG GLN 89 1.574 18.233 -5.637 735 HE21 GLN 89 1HE2 GLN 89 4.976 17.228 -6.917 736 HE22 GLN 89 2HE2 GLN 89 3.766 16.478 -5.893 737 H GLY 90 H GLY 90 3.431 20.594 -1.074 738 HA2 GLY 90 2HA GLY 90 1.960 23.122 -0.947 739 HA3 GLY 90 3HA GLY 90 2.527 22.125 0.409 740 H ARG 91 H ARG 91 5.314 22.086 -0.904 741 HA ARG 91 HA ARG 91 6.218 24.615 0.299 742 HB2 ARG 91 2HB ARG 91 7.746 22.188 -0.725 743 HB3 ARG 91 1HB ARG 91 8.480 23.598 0.056 744 HG2 ARG 91 2HG ARG 91 6.460 21.704 1.332 745 HG3 ARG 91 1HG ARG 91 8.204 21.770 1.659 746 HD2 ARG 91 2HD ARG 91 7.891 24.171 2.384 747 HD3 ARG 91 1HD ARG 91 6.136 23.925 2.240 748 HE ARG 91 HE ARG 91 6.979 21.857 3.865 749 HH11 ARG 91 1HH1 ARG 91 7.177 25.387 3.942 750 HH12 ARG 91 2HH1 ARG 91 7.228 25.468 5.684 751 HH21 ARG 91 1HH2 ARG 91 7.019 21.985 6.136 752 HH22 ARG 91 2HH2 ARG 91 7.112 23.539 6.933 753 H ARG 92 H ARG 92 4.909 24.143 -2.517 754 HA ARG 92 HA ARG 92 6.970 25.192 -4.322 755 HB2 ARG 92 2HB ARG 92 3.978 24.742 -4.681 756 HB3 ARG 92 1HB ARG 92 5.144 25.082 -5.977 757 HG2 ARG 92 2HG ARG 92 5.278 22.656 -4.147 758 HG3 ARG 92 1HG ARG 92 4.508 22.665 -5.739 759 HD2 ARG 92 2HD ARG 92 6.662 23.258 -6.790 760 HD3 ARG 92 1HD ARG 92 7.439 23.332 -5.196 761 HE ARG 92 HE ARG 92 6.385 20.801 -5.240 762 HH11 ARG 92 1HH1 ARG 92 8.484 22.571 -7.470 763 HH12 ARG 92 2HH1 ARG 92 9.308 21.122 -8.012 764 HH21 ARG 92 1HH2 ARG 92 7.458 18.956 -5.965 765 HH22 ARG 92 2HH2 ARG 92 8.715 19.081 -7.175 766 H LEU 93 H LEU 93 4.642 26.483 -2.130 767 HA LEU 93 HA LEU 93 5.128 29.194 -3.223 768 HB2 LEU 93 2HB LEU 93 2.973 28.251 -4.090 769 HB3 LEU 93 1HB LEU 93 2.398 28.105 -2.428 770 HG LEU 93 HG LEU 93 2.480 30.557 -2.164 771 HD11 LEU 93 1HD1 LEU 93 2.946 31.988 -4.144 772 HD12 LEU 93 2HD1 LEU 93 4.389 31.100 -3.624 773 HD13 LEU 93 3HD1 LEU 93 3.477 30.548 -5.050 774 HD21 LEU 93 1HD2 LEU 93 1.115 29.687 -4.740 775 HD22 LEU 93 2HD2 LEU 93 0.462 29.492 -3.097 776 HD23 LEU 93 3HD2 LEU 93 0.710 31.119 -3.769 777 H GLU 94 H GLU 94 5.509 27.198 -0.626 778 HA GLU 94 HA GLU 94 5.474 29.476 1.253 779 HB2 GLU 94 2HB GLU 94 3.264 28.375 1.478 780 HB3 GLU 94 1HB GLU 94 4.076 26.825 1.785 781 HG2 GLU 94 2HG GLU 94 5.099 27.733 3.820 782 HG3 GLU 94 1HG GLU 94 4.401 29.328 3.485 783 H LEU 95 H LEU 95 6.961 29.301 2.897 784 HA LEU 95 HA LEU 95 8.573 26.851 3.164 785 HB2 LEU 95 2HB LEU 95 9.666 28.139 1.363 786 HB3 LEU 95 1HB LEU 95 9.738 29.563 2.417 787 HG LEU 95 HG LEU 95 11.210 28.328 3.990 788 HD11 LEU 95 1HD1 LEU 95 11.046 26.115 1.893 789 HD12 LEU 95 2HD1 LEU 95 12.199 26.167 3.245 790 HD13 LEU 95 3HD1 LEU 95 10.466 26.024 3.576 791 HD21 LEU 95 1HD2 LEU 95 12.168 29.674 2.153 792 HD22 LEU 95 2HD2 LEU 95 13.186 28.256 2.508 793 HD23 LEU 95 3HD2 LEU 95 12.127 28.262 1.081 794 H5' GNG 96 H5T DG 96 11.581 4.768 8.574 795 H5'1 GNG 96 1H5* DG 96 11.703 1.993 7.981 796 H5'2 GNG 96 2H5* DG 96 10.714 3.185 7.126 797 H4' GNG 96 H4* DG 96 10.497 2.512 10.092 798 H1' GNG 96 H1* DG 96 7.254 3.663 9.273 799 H8 GNG 96 8H DG 96 8.597 4.339 5.729 800 HN21 GNG 96 1H2 DG 96 4.875 8.741 10.490 801 HN22 GNG 96 2H2 DG 96 5.419 7.258 11.246 802 H2'1 GNG 96 1H2* DG 96 8.590 2.566 6.795 803 H2'2 GNG 96 2H2* DG 96 7.182 1.934 7.697 804 H3' GNG 96 H3* DG 96 9.663 0.901 8.086 805 HN1 GNG 96 1H DG 96 5.310 9.194 8.343 806 H5' DT 97 1H5* DT 97 6.299 2.147 10.932 807 H5'' DT 97 2H5* DT 97 5.195 0.831 11.365 808 H4' DT 97 H4* DT 97 4.019 2.983 10.970 809 H3' DT 97 H3* DT 97 3.161 0.495 10.012 810 H2' DT 97 1H2* DT 97 3.923 0.806 7.816 811 H2'' DT 97 2H2* DT 97 2.267 1.491 7.665 812 H1' DT 97 H1* DT 97 2.996 3.700 8.098 813 H3 DT 97 3H DT 97 4.891 5.640 4.515 814 H71 DT 97 1H7 DT 97 6.628 0.508 4.844 815 H72 DT 97 2H7 DT 97 6.277 1.207 3.247 816 H73 DT 97 3H7 DT 97 7.711 1.741 4.149 817 H6 DT 97 6H DT 97 5.329 1.293 6.505 818 H5' DA 98 1H5* DA 98 -0.386 0.531 9.720 819 H5'' DA 98 2H5* DA 98 -1.279 1.433 10.958 820 H4' DA 98 H4* DA 98 -2.445 -0.577 10.795 821 H3' DA 98 H3* DA 98 -1.198 0.014 13.198 822 H2' DA 98 1H2* DA 98 0.600 -1.383 13.166 823 H2'' DA 98 2H2* DA 98 -0.573 -2.639 13.653 824 H1' DA 98 H1* DA 98 -0.587 -3.589 11.574 825 H8 DA 98 8H DA 98 2.185 -0.863 11.799 826 H61 DA 98 1H6 DA 98 5.819 -5.158 9.196 827 H62 DA 98 2H6 DA 98 5.771 -3.558 9.911 828 H2 DA 98 2H DA 98 1.666 -6.721 9.242 829 H5' DA 99 1H5* DA 99 -4.870 -1.905 15.597 830 H5'' DA 99 2H5* DA 99 -4.617 -3.163 14.368 831 H4' DA 99 H4* DA 99 -6.644 -3.708 15.494 832 H3' DA 99 H3* DA 99 -6.681 -3.505 12.808 833 H2' DA 99 1H2* DA 99 -7.221 -1.242 12.541 834 H2'' DA 99 2H2* DA 99 -8.893 -1.854 12.636 835 H1' DA 99 H1* DA 99 -9.200 -1.049 14.750 836 H8 DA 99 8H DA 99 -6.886 0.668 12.523 837 H61 DA 99 1H6 DA 99 -6.624 5.321 16.626 838 H62 DA 99 2H6 DA 99 -6.258 4.852 14.977 839 H2 DA 99 2H DA 99 -8.440 1.821 18.640 840 H5' DA 100 1H5* DA 100 -11.116 -2.922 13.177 841 H5'' DA 100 2H5* DA 100 -11.874 -4.204 12.201 842 H4' DA 100 H4* DA 100 -12.844 -2.198 11.432 843 H3' DA 100 H3* DA 100 -11.098 -3.665 9.691 844 H2' DA 100 1H2* DA 100 -9.531 -2.010 9.489 845 H2'' DA 100 2H2* DA 100 -10.653 -1.416 8.223 846 H1' DA 100 H1* DA 100 -11.733 0.050 9.832 847 H8 DA 100 8H DA 100 -7.976 -0.774 10.451 848 H61 DA 100 1H6 DA 100 -7.248 5.394 10.344 849 H62 DA 100 2H6 DA 100 -6.413 3.851 10.445 850 H2 DA 100 2H DA 100 -11.578 4.514 10.031 851 H5' DA 101 1H5* DA 101 -11.706 0.142 7.727 852 H5'' DA 101 2H5* DA 101 -13.039 1.136 8.349 853 H4' DA 101 H4* DA 101 -13.759 1.746 6.173 854 H3' DA 101 H3* DA 101 -13.202 -0.708 5.211 855 HO3' DA 101 H3T DA 101 -14.080 0.936 3.878 856 H2' DA 101 1H2* DA 101 -10.898 -0.706 5.756 857 H2'' DA 101 2H2* DA 101 -10.831 -0.247 4.020 858 H1' DA 101 H1* DA 101 -10.565 2.011 4.487 859 H8 DA 101 8H DA 101 -9.085 -0.681 6.635 860 H61 DA 101 1H6 DA 101 -4.691 3.417 8.169 861 H62 DA 101 2H6 DA 101 -5.156 1.725 8.225 862 H2 DA 101 2H DA 101 -7.963 5.619 6.155 Start of MODEL 8 1 H1 MET 1 1H MET 1 -16.924 -21.424 -12.721 2 H2 MET 1 2H MET 1 -17.129 -20.028 -13.570 3 H3 MET 1 3H MET 1 -17.604 -20.114 -11.996 4 HA MET 1 HA MET 1 -14.850 -20.298 -12.969 5 HB2 MET 1 2HB MET 1 -14.449 -18.158 -11.969 6 HB3 MET 1 1HB MET 1 -15.767 -18.012 -13.129 7 HG2 MET 1 2HG MET 1 -16.085 -18.274 -10.108 8 HG3 MET 1 1HG MET 1 -16.117 -16.755 -10.995 9 HE1 MET 1 1HE MET 1 -18.000 -15.903 -12.498 10 HE2 MET 1 2HE MET 1 -17.842 -17.315 -13.569 11 HE3 MET 1 3HE MET 1 -19.444 -16.833 -12.956 12 H SER 2 H SER 2 -13.246 -20.099 -11.174 13 HA SER 2 HA SER 2 -14.154 -21.036 -8.533 14 HB2 SER 2 2HB SER 2 -13.884 -23.093 -9.912 15 HB3 SER 2 1HB SER 2 -12.208 -22.623 -10.251 16 HG SER 2 HG SER 2 -12.391 -24.074 -8.484 17 H GLU 3 H GLU 3 -12.330 -21.054 -6.968 18 HA GLU 3 HA GLU 3 -10.016 -19.367 -7.750 19 HB2 GLU 3 2HB GLU 3 -11.872 -18.851 -5.394 20 HB3 GLU 3 1HB GLU 3 -10.335 -18.019 -5.694 21 HG2 GLU 3 2HG GLU 3 -11.226 -17.183 -7.860 22 HG3 GLU 3 1HG GLU 3 -12.780 -17.961 -7.512 23 H GLN 4 H GLN 4 -8.183 -19.640 -6.423 24 HA GLN 4 HA GLN 4 -8.301 -21.801 -4.380 25 HB2 GLN 4 2HB GLN 4 -6.386 -21.693 -6.734 26 HB3 GLN 4 1HB GLN 4 -6.297 -22.836 -5.381 27 HG2 GLN 4 2HG GLN 4 -8.559 -23.699 -5.977 28 HG3 GLN 4 1HG GLN 4 -8.584 -22.619 -7.384 29 HE21 GLN 4 1HE2 GLN 4 -7.510 -25.842 -8.757 30 HE22 GLN 4 2HE2 GLN 4 -8.960 -25.062 -8.148 31 H LEU 5 H LEU 5 -7.168 -18.740 -5.415 32 HA LEU 5 HA LEU 5 -4.928 -18.769 -3.442 33 HB2 LEU 5 2HB LEU 5 -5.432 -17.228 -6.003 34 HB3 LEU 5 1HB LEU 5 -4.284 -16.667 -4.791 35 HG LEU 5 HG LEU 5 -3.168 -17.823 -6.599 36 HD11 LEU 5 1HD1 LEU 5 -1.795 -19.352 -5.301 37 HD12 LEU 5 2HD1 LEU 5 -2.211 -17.937 -4.314 38 HD13 LEU 5 3HD1 LEU 5 -3.052 -19.487 -4.053 39 HD21 LEU 5 1HD2 LEU 5 -5.014 -19.413 -7.180 40 HD22 LEU 5 2HD2 LEU 5 -3.409 -20.170 -7.066 41 HD23 LEU 5 3HD2 LEU 5 -4.566 -20.383 -5.748 42 H THR 6 H THR 6 -4.778 -17.140 -1.947 43 HA THR 6 HA THR 6 -7.172 -15.389 -1.633 44 HB THR 6 HB THR 6 -7.028 -15.657 0.721 45 HG1 THR 6 1HG THR 6 -5.379 -16.929 1.637 46 HG21 THR 6 1HG2 THR 6 -7.410 -18.044 1.021 47 HG22 THR 6 2HG2 THR 6 -8.086 -17.550 -0.551 48 HG23 THR 6 3HG2 THR 6 -6.528 -18.415 -0.477 49 H ASP 7 H ASP 7 -6.566 -13.461 -0.070 50 HA ASP 7 HA ASP 7 -4.420 -12.013 -1.312 51 HB2 ASP 7 2HB ASP 7 -5.946 -11.534 1.277 52 HB3 ASP 7 1HB ASP 7 -4.899 -10.352 0.473 53 H GLN 8 H GLN 8 -4.595 -14.192 1.438 54 HA GLN 8 HA GLN 8 -2.285 -13.204 2.831 55 HB2 GLN 8 2HB GLN 8 -4.239 -14.619 3.707 56 HB3 GLN 8 1HB GLN 8 -3.449 -16.010 2.935 57 HG2 GLN 8 2HG GLN 8 -1.393 -15.581 4.252 58 HG3 GLN 8 1HG GLN 8 -2.200 -14.219 5.052 59 HE21 GLN 8 1HE2 GLN 8 -2.546 -16.942 7.461 60 HE22 GLN 8 2HE2 GLN 8 -1.325 -15.847 6.845 61 H VAL 9 H VAL 9 -2.825 -15.929 0.547 62 HA VAL 9 HA VAL 9 -0.112 -16.894 0.772 63 HB VAL 9 HB VAL 9 -1.936 -18.390 0.256 64 HG11 VAL 9 1HG1 VAL 9 -2.313 -16.740 -2.269 65 HG12 VAL 9 2HG1 VAL 9 -3.201 -18.228 -1.840 66 HG13 VAL 9 3HG1 VAL 9 -3.392 -16.760 -0.854 67 HG21 VAL 9 1HG2 VAL 9 0.272 -18.935 -0.751 68 HG22 VAL 9 2HG2 VAL 9 -1.097 -19.522 -1.724 69 HG23 VAL 9 3HG2 VAL 9 -0.207 -18.069 -2.234 70 H LEU 10 H LEU 10 -1.754 -14.535 -1.323 71 HA LEU 10 HA LEU 10 0.287 -14.388 -3.332 72 HB2 LEU 10 2HB LEU 10 -2.070 -12.801 -2.385 73 HB3 LEU 10 1HB LEU 10 -0.821 -11.903 -3.262 74 HG LEU 10 HG LEU 10 -1.000 -13.230 -5.184 75 HD11 LEU 10 1HD1 LEU 10 -2.877 -15.050 -3.640 76 HD12 LEU 10 2HD1 LEU 10 -2.523 -15.165 -5.387 77 HD13 LEU 10 3HD1 LEU 10 -1.234 -15.459 -4.205 78 HD21 LEU 10 1HD2 LEU 10 -2.806 -11.545 -4.856 79 HD22 LEU 10 2HD2 LEU 10 -3.393 -12.936 -5.790 80 HD23 LEU 10 3HD2 LEU 10 -3.813 -12.789 -4.070 81 H VAL 11 H VAL 11 -0.144 -12.868 -0.135 82 HA VAL 11 HA VAL 11 2.009 -10.979 -0.459 83 HB VAL 11 HB VAL 11 0.538 -12.111 1.942 84 HG11 VAL 11 1HG1 VAL 11 2.776 -11.461 2.721 85 HG12 VAL 11 2HG1 VAL 11 2.672 -9.945 1.805 86 HG13 VAL 11 3HG1 VAL 11 1.607 -10.228 3.214 87 HG21 VAL 11 1HG2 VAL 11 -0.477 -9.885 1.984 88 HG22 VAL 11 2HG2 VAL 11 0.548 -9.367 0.619 89 HG23 VAL 11 3HG2 VAL 11 -0.690 -10.613 0.373 90 H GLU 12 H GLU 12 1.835 -14.353 0.768 91 HA GLU 12 HA GLU 12 4.476 -14.251 1.919 92 HB2 GLU 12 2HB GLU 12 2.820 -16.632 1.015 93 HB3 GLU 12 1HB GLU 12 4.282 -16.697 2.018 94 HG2 GLU 12 2HG GLU 12 3.107 -15.127 3.645 95 HG3 GLU 12 1HG GLU 12 1.633 -15.381 2.715 96 H ARG 13 H ARG 13 3.231 -14.935 -1.332 97 HA ARG 13 HA ARG 13 5.653 -16.176 -2.316 98 HB2 ARG 13 2HB ARG 13 3.252 -14.856 -3.626 99 HB3 ARG 13 1HB ARG 13 4.587 -15.551 -4.567 100 HG2 ARG 13 2HG ARG 13 4.231 -17.737 -3.561 101 HG3 ARG 13 1HG ARG 13 2.958 -17.084 -2.505 102 HD2 ARG 13 2HD ARG 13 1.638 -16.451 -4.506 103 HD3 ARG 13 1HD ARG 13 2.880 -17.158 -5.551 104 HE ARG 13 HE ARG 13 0.844 -18.556 -4.000 105 HH11 ARG 13 1HH1 ARG 13 4.017 -18.889 -5.542 106 HH12 ARG 13 2HH1 ARG 13 3.879 -20.625 -5.699 107 HH21 ARG 13 1HH2 ARG 13 0.702 -20.821 -4.233 108 HH22 ARG 13 2HH2 ARG 13 2.017 -21.708 -4.963 109 H VAL 14 H VAL 14 4.467 -12.768 -2.267 110 HA VAL 14 HA VAL 14 6.741 -11.909 -3.832 111 HB VAL 14 HB VAL 14 4.894 -10.573 -4.080 112 HG11 VAL 14 1HG1 VAL 14 4.665 -10.151 -1.087 113 HG12 VAL 14 2HG1 VAL 14 3.604 -9.499 -2.376 114 HG13 VAL 14 3HG1 VAL 14 3.640 -11.239 -2.064 115 HG21 VAL 14 1HG2 VAL 14 6.951 -9.215 -3.814 116 HG22 VAL 14 2HG2 VAL 14 5.502 -8.336 -3.260 117 HG23 VAL 14 3HG2 VAL 14 6.597 -9.045 -2.070 118 H GLN 15 H GLN 15 6.318 -12.616 -0.416 119 HA GLN 15 HA GLN 15 8.748 -11.230 0.365 120 HB2 GLN 15 2HB GLN 15 7.225 -13.551 1.610 121 HB3 GLN 15 1HB GLN 15 8.665 -12.804 2.322 122 HG2 GLN 15 2HG GLN 15 7.493 -10.584 2.254 123 HG3 GLN 15 1HG GLN 15 6.023 -11.408 1.735 124 HE21 GLN 15 1HE2 GLN 15 5.782 -10.979 5.415 125 HE22 GLN 15 2HE2 GLN 15 5.718 -10.008 3.965 126 H LYS 16 H LYS 16 8.009 -14.410 -1.110 127 HA LYS 16 HA LYS 16 10.731 -15.383 -0.780 128 HB2 LYS 16 2HB LYS 16 8.404 -16.331 -2.506 129 HB3 LYS 16 1HB LYS 16 9.908 -17.221 -2.220 130 HG2 LYS 16 2HG LYS 16 7.807 -16.483 -0.145 131 HG3 LYS 16 1HG LYS 16 8.159 -18.099 -0.782 132 HD2 LYS 16 2HD LYS 16 10.422 -17.985 0.216 133 HD3 LYS 16 1HD LYS 16 10.037 -16.361 0.858 134 HE2 LYS 16 2HE LYS 16 8.161 -17.277 2.140 135 HE3 LYS 16 1HE LYS 16 8.477 -18.891 1.476 136 HZ1 LYS 16 1HZ LYS 16 10.623 -18.849 2.553 137 HZ2 LYS 16 2HZ LYS 16 10.334 -17.352 3.169 138 HZ3 LYS 16 3HZ LYS 16 9.423 -18.632 3.658 139 H GLY 17 H GLY 17 9.237 -13.143 -2.908 140 HA2 GLY 17 2HA GLY 17 10.809 -11.839 -4.238 141 HA3 GLY 17 3HA GLY 17 11.615 -13.347 -4.704 142 H ASP 18 H ASP 18 8.328 -14.040 -4.695 143 HA ASP 18 HA ASP 18 8.167 -13.833 -7.609 144 HB2 ASP 18 2HB ASP 18 6.589 -15.113 -5.386 145 HB3 ASP 18 1HB ASP 18 5.801 -14.822 -6.927 146 H GLN 19 H GLN 19 8.202 -11.553 -7.897 147 HA GLN 19 HA GLN 19 6.333 -9.790 -6.627 148 HB2 GLN 19 2HB GLN 19 8.530 -9.196 -7.677 149 HB3 GLN 19 1HB GLN 19 7.818 -9.491 -9.272 150 HG2 GLN 19 2HG GLN 19 6.150 -7.722 -8.868 151 HG3 GLN 19 1HG GLN 19 6.779 -7.477 -7.229 152 HE21 GLN 19 1HE2 GLN 19 8.327 -4.757 -9.095 153 HE22 GLN 19 2HE2 GLN 19 6.797 -5.200 -8.367 154 H LYS 20 H LYS 20 5.992 -12.152 -9.115 155 HA LYS 20 HA LYS 20 3.866 -10.943 -10.605 156 HB2 LYS 20 2HB LYS 20 3.469 -13.229 -11.432 157 HB3 LYS 20 1HB LYS 20 5.181 -12.802 -11.430 158 HG2 LYS 20 2HG LYS 20 5.317 -14.917 -10.583 159 HG3 LYS 20 1HG LYS 20 5.199 -14.007 -9.072 160 HD2 LYS 20 2HD LYS 20 2.703 -14.481 -9.075 161 HD3 LYS 20 1HD LYS 20 2.939 -15.449 -10.535 162 HE2 LYS 20 2HE LYS 20 4.199 -15.961 -7.814 163 HE3 LYS 20 1HE LYS 20 2.856 -16.860 -8.533 164 HZ1 LYS 20 1HZ LYS 20 4.391 -17.473 -10.334 165 HZ2 LYS 20 2HZ LYS 20 5.628 -16.745 -9.517 166 HZ3 LYS 20 3HZ LYS 20 4.873 -18.037 -8.863 167 H ALA 21 H ALA 21 3.980 -12.547 -7.460 168 HA ALA 21 HA ALA 21 1.092 -12.912 -7.328 169 HB1 ALA 21 1HB ALA 21 3.242 -12.978 -5.169 170 HB2 ALA 21 2HB ALA 21 1.570 -13.558 -5.001 171 HB3 ALA 21 3HB ALA 21 2.680 -14.377 -6.118 172 H PHE 22 H PHE 22 3.489 -10.465 -6.297 173 HA PHE 22 HA PHE 22 1.674 -8.828 -4.823 174 HB2 PHE 22 2HB PHE 22 4.103 -8.672 -4.708 175 HB3 PHE 22 1HB PHE 22 4.188 -8.145 -6.383 176 HD1 PHE 22 1HD PHE 22 2.433 -7.205 -3.189 177 HD2 PHE 22 2HD PHE 22 4.361 -5.840 -6.784 178 HE1 PHE 22 1HE PHE 22 2.216 -4.852 -2.415 179 HE2 PHE 22 2HE PHE 22 4.122 -3.492 -6.011 180 HZ PHE 22 HZ PHE 22 3.051 -3.005 -3.834 181 H ASN 23 H ASN 23 2.454 -9.118 -8.321 182 HA ASN 23 HA ASN 23 1.163 -6.707 -9.148 183 HB2 ASN 23 2HB ASN 23 2.726 -8.078 -10.547 184 HB3 ASN 23 1HB ASN 23 1.504 -9.352 -10.635 185 HD21 ASN 23 1HD2 ASN 23 -0.390 -7.831 -13.180 186 HD22 ASN 23 2HD2 ASN 23 -0.186 -9.193 -12.103 187 H LEU 24 H LEU 24 -0.032 -10.043 -8.679 188 HA LEU 24 HA LEU 24 -2.673 -9.418 -9.688 189 HB2 LEU 24 2HB LEU 24 -1.656 -11.737 -7.990 190 HB3 LEU 24 1HB LEU 24 -3.196 -11.700 -8.864 191 HG LEU 24 HG LEU 24 -0.456 -11.446 -10.188 192 HD11 LEU 24 1HD1 LEU 24 -0.795 -13.776 -10.886 193 HD12 LEU 24 2HD1 LEU 24 -0.737 -13.630 -9.115 194 HD13 LEU 24 3HD1 LEU 24 -2.302 -13.849 -9.935 195 HD21 LEU 24 1HD2 LEU 24 -2.245 -10.426 -11.502 196 HD22 LEU 24 2HD2 LEU 24 -1.701 -11.935 -12.256 197 HD23 LEU 24 3HD2 LEU 24 -3.234 -11.900 -11.344 198 H LEU 25 H LEU 25 -1.035 -9.125 -6.621 199 HA LEU 25 HA LEU 25 -3.502 -8.937 -5.063 200 HB2 LEU 25 2HB LEU 25 -1.380 -9.937 -4.221 201 HB3 LEU 25 1HB LEU 25 -0.589 -8.359 -4.380 202 HG LEU 25 HG LEU 25 -2.126 -7.413 -2.684 203 HD11 LEU 25 1HD1 LEU 25 -4.108 -8.842 -3.039 204 HD12 LEU 25 2HD1 LEU 25 -3.186 -10.275 -2.504 205 HD13 LEU 25 3HD1 LEU 25 -3.550 -8.964 -1.363 206 HD21 LEU 25 1HD2 LEU 25 0.036 -8.469 -2.047 207 HD22 LEU 25 2HD2 LEU 25 -1.202 -8.675 -0.781 208 HD23 LEU 25 3HD2 LEU 25 -0.798 -10.029 -1.865 209 H VAL 26 H VAL 26 -1.190 -6.741 -6.635 210 HA VAL 26 HA VAL 26 -2.052 -4.333 -5.305 211 HB VAL 26 HB VAL 26 -0.514 -5.006 -7.823 212 HG11 VAL 26 1HG1 VAL 26 -1.773 -2.978 -8.423 213 HG12 VAL 26 2HG1 VAL 26 -1.318 -2.219 -6.877 214 HG13 VAL 26 3HG1 VAL 26 -0.081 -2.560 -8.100 215 HG21 VAL 26 1HG2 VAL 26 1.292 -3.893 -6.598 216 HG22 VAL 26 2HG2 VAL 26 0.161 -3.437 -5.300 217 HG23 VAL 26 3HG2 VAL 26 0.551 -5.147 -5.567 218 H VAL 27 H VAL 27 -2.989 -5.871 -8.432 219 HA VAL 27 HA VAL 27 -4.613 -3.687 -9.241 220 HB VAL 27 HB VAL 27 -3.753 -5.516 -10.701 221 HG11 VAL 27 1HG1 VAL 27 -4.303 -7.436 -9.250 222 HG12 VAL 27 2HG1 VAL 27 -6.043 -7.139 -9.508 223 HG13 VAL 27 3HG1 VAL 27 -5.007 -7.616 -10.868 224 HG21 VAL 27 1HG2 VAL 27 -6.772 -5.135 -10.816 225 HG22 VAL 27 2HG2 VAL 27 -5.553 -3.997 -11.446 226 HG23 VAL 27 3HG2 VAL 27 -5.705 -5.616 -12.159 227 H ARG 28 H ARG 28 -5.364 -6.395 -7.045 228 HA ARG 28 HA ARG 28 -8.209 -6.129 -7.080 229 HB2 ARG 28 2HB ARG 28 -6.277 -6.918 -4.848 230 HB3 ARG 28 1HB ARG 28 -8.031 -7.113 -4.769 231 HG2 ARG 28 2HG ARG 28 -7.879 -8.605 -6.798 232 HG3 ARG 28 1HG ARG 28 -6.105 -8.378 -6.739 233 HD2 ARG 28 2HD ARG 28 -6.043 -9.384 -4.490 234 HD3 ARG 28 1HD ARG 28 -7.807 -9.595 -4.525 235 HE ARG 28 HE ARG 28 -6.740 -10.843 -6.824 236 HH11 ARG 28 1HH1 ARG 28 -6.638 -11.246 -3.305 237 HH12 ARG 28 2HH1 ARG 28 -6.469 -12.982 -3.397 238 HH21 ARG 28 1HH2 ARG 28 -6.494 -13.112 -6.900 239 HH22 ARG 28 2HH2 ARG 28 -6.371 -14.030 -5.417 240 H TYR 29 H TYR 29 -5.664 -4.674 -5.067 241 HA TYR 29 HA TYR 29 -7.639 -3.071 -3.608 242 HB2 TYR 29 2HB TYR 29 -4.698 -3.666 -3.246 243 HB3 TYR 29 1HB TYR 29 -5.573 -2.491 -2.271 244 HD1 TYR 29 1HD TYR 29 -7.117 -3.119 -0.575 245 HD2 TYR 29 2HD TYR 29 -5.410 -6.115 -3.155 246 HE1 TYR 29 1HE TYR 29 -8.057 -4.901 0.874 247 HE2 TYR 29 2HE TYR 29 -6.324 -7.893 -1.695 248 HH TYR 29 HH TYR 29 -8.291 -7.143 1.205 249 H GLN 30 H GLN 30 -5.711 -2.698 -6.390 250 HA GLN 30 HA GLN 30 -4.806 -0.040 -6.192 251 HB2 GLN 30 2HB GLN 30 -4.111 -1.577 -7.930 252 HB3 GLN 30 1HB GLN 30 -5.774 -1.761 -8.509 253 HG2 GLN 30 2HG GLN 30 -5.801 0.500 -9.333 254 HG3 GLN 30 1HG GLN 30 -4.212 0.847 -8.597 255 HE21 GLN 30 1HE2 GLN 30 -4.427 -1.654 -11.920 256 HE22 GLN 30 2HE2 GLN 30 -5.801 -1.501 -10.845 257 H HIS 31 H HIS 31 -8.081 -1.309 -6.735 258 HA HIS 31 HA HIS 31 -9.086 1.366 -7.419 259 HB2 HIS 31 2HB HIS 31 -10.016 -0.638 -8.482 260 HB3 HIS 31 1HB HIS 31 -10.505 -1.264 -6.907 261 HD2 HIS 31 2HD HIS 31 -11.092 2.106 -8.833 262 HE1 HIS 31 1HE HIS 31 -14.791 0.926 -7.101 263 HE2 HIS 31 2HE HIS 31 -13.626 2.691 -8.520 264 H LYS 32 H LYS 32 -8.972 -0.775 -4.538 265 HA LYS 32 HA LYS 32 -10.747 0.910 -2.966 266 HB2 LYS 32 2HB LYS 32 -8.783 -1.338 -2.360 267 HB3 LYS 32 1HB LYS 32 -9.540 -0.400 -1.077 268 HG2 LYS 32 2HG LYS 32 -10.815 -2.358 -1.305 269 HG3 LYS 32 1HG LYS 32 -11.789 -1.025 -1.938 270 HD2 LYS 32 2HD LYS 32 -10.153 -2.677 -3.861 271 HD3 LYS 32 1HD LYS 32 -11.617 -3.374 -3.154 272 HE2 LYS 32 2HE LYS 32 -12.904 -1.361 -3.887 273 HE3 LYS 32 1HE LYS 32 -11.476 -0.796 -4.756 274 HZ1 LYS 32 1HZ LYS 32 -11.530 -2.889 -5.992 275 HZ2 LYS 32 2HZ LYS 32 -12.915 -3.327 -5.222 276 HZ3 LYS 32 3HZ LYS 32 -12.909 -2.017 -6.210 277 H VAL 33 H VAL 33 -7.209 0.588 -3.294 278 HA VAL 33 HA VAL 33 -6.572 2.367 -1.151 279 HB VAL 33 HB VAL 33 -5.157 0.529 -2.227 280 HG11 VAL 33 1HG1 VAL 33 -3.743 1.167 -4.100 281 HG12 VAL 33 2HG1 VAL 33 -5.447 1.320 -4.593 282 HG13 VAL 33 3HG1 VAL 33 -4.494 2.770 -4.185 283 HG21 VAL 33 1HG2 VAL 33 -3.052 1.674 -1.803 284 HG22 VAL 33 2HG2 VAL 33 -3.851 3.254 -1.921 285 HG23 VAL 33 3HG2 VAL 33 -4.254 2.142 -0.580 286 H ALA 34 H ALA 34 -7.353 2.802 -4.565 287 HA ALA 34 HA ALA 34 -6.351 5.520 -4.718 288 HB1 ALA 34 1HB ALA 34 -8.298 3.976 -6.485 289 HB2 ALA 34 2HB ALA 34 -7.502 5.513 -6.898 290 HB3 ALA 34 3HB ALA 34 -6.533 4.038 -6.692 291 H SER 35 H SER 35 -9.404 3.977 -3.733 292 HA SER 35 HA SER 35 -10.986 6.374 -3.926 293 HB2 SER 35 2HB SER 35 -11.952 4.099 -3.822 294 HB3 SER 35 1HB SER 35 -11.298 3.900 -2.182 295 HG SER 35 HG SER 35 -13.220 5.807 -3.036 296 H LEU 36 H LEU 36 -8.754 5.007 -1.531 297 HA LEU 36 HA LEU 36 -9.593 6.677 0.650 298 HB2 LEU 36 2HB LEU 36 -8.349 4.502 0.839 299 HB3 LEU 36 1HB LEU 36 -6.928 5.294 0.149 300 HG LEU 36 HG LEU 36 -6.901 6.921 2.033 301 HD11 LEU 36 1HD1 LEU 36 -9.159 5.164 3.083 302 HD12 LEU 36 2HD1 LEU 36 -8.266 6.357 4.059 303 HD13 LEU 36 3HD1 LEU 36 -9.267 6.897 2.696 304 HD21 LEU 36 1HD2 LEU 36 -5.526 4.934 2.095 305 HD22 LEU 36 2HD2 LEU 36 -6.164 5.236 3.728 306 HD23 LEU 36 3HD2 LEU 36 -6.887 3.961 2.709 307 H VAL 37 H VAL 37 -6.906 6.871 -1.746 308 HA VAL 37 HA VAL 37 -5.920 9.265 -0.432 309 HB VAL 37 HB VAL 37 -4.347 7.655 -1.178 310 HG11 VAL 37 1HG1 VAL 37 -5.357 8.171 -3.999 311 HG12 VAL 37 2HG1 VAL 37 -3.915 7.218 -3.553 312 HG13 VAL 37 3HG1 VAL 37 -5.542 6.663 -3.083 313 HG21 VAL 37 1HG2 VAL 37 -2.808 9.092 -2.270 314 HG22 VAL 37 2HG2 VAL 37 -4.099 9.992 -3.101 315 HG23 VAL 37 3HG2 VAL 37 -3.889 10.183 -1.351 316 H SER 38 H SER 38 -8.073 8.617 -3.122 317 HA SER 38 HA SER 38 -7.740 11.070 -4.531 318 HB2 SER 38 2HB SER 38 -9.972 10.662 -5.402 319 HB3 SER 38 1HB SER 38 -9.066 9.135 -5.360 320 HG SER 38 HG SER 38 -10.171 8.610 -3.449 321 H ARG 39 H ARG 39 -8.922 10.424 -1.353 322 HA ARG 39 HA ARG 39 -10.635 12.750 -1.092 323 HB2 ARG 39 2HB ARG 39 -9.340 10.955 0.992 324 HB3 ARG 39 1HB ARG 39 -10.716 12.040 1.247 325 HG2 ARG 39 2HG ARG 39 -12.086 10.692 -0.315 326 HG3 ARG 39 1HG ARG 39 -10.691 9.662 -0.668 327 HD2 ARG 39 2HD ARG 39 -10.581 9.105 1.798 328 HD3 ARG 39 1HD ARG 39 -12.158 9.916 1.977 329 HE ARG 39 HE ARG 39 -12.387 8.065 -0.138 330 HH11 ARG 39 1HH1 ARG 39 -11.810 7.995 3.340 331 HH12 ARG 39 2HH1 ARG 39 -12.495 6.392 3.533 332 HH21 ARG 39 1HH2 ARG 39 -13.257 5.984 0.140 333 HH22 ARG 39 2HH2 ARG 39 -13.337 5.273 1.736 334 H TYR 40 H TYR 40 -7.244 12.332 -1.214 335 HA TYR 40 HA TYR 40 -6.817 14.773 0.461 336 HB2 TYR 40 2HB TYR 40 -5.026 12.357 0.058 337 HB3 TYR 40 1HB TYR 40 -4.565 13.823 0.923 338 HD1 TYR 40 1HD TYR 40 -5.532 14.375 3.105 339 HD2 TYR 40 2HD TYR 40 -6.542 10.726 1.062 340 HE1 TYR 40 1HE TYR 40 -6.448 13.452 5.219 341 HE2 TYR 40 2HE TYR 40 -7.457 9.794 3.178 342 HH TYR 40 HH TYR 40 -7.477 11.663 6.226 343 H VAL 41 H VAL 41 -6.262 13.213 -2.645 344 HA VAL 41 HA VAL 41 -4.834 15.678 -3.528 345 HB VAL 41 HB VAL 41 -3.303 14.467 -4.863 346 HG11 VAL 41 1HG1 VAL 41 -3.391 13.162 -2.111 347 HG12 VAL 41 2HG1 VAL 41 -1.975 13.305 -3.173 348 HG13 VAL 41 3HG1 VAL 41 -2.708 14.761 -2.473 349 HG21 VAL 41 1HG2 VAL 41 -3.174 12.008 -4.866 350 HG22 VAL 41 2HG2 VAL 41 -4.700 11.938 -3.944 351 HG23 VAL 41 3HG2 VAL 41 -4.673 12.615 -5.594 352 HA PRO 42 HA PRO 42 -7.952 15.812 -6.596 353 HB2 PRO 42 2HB PRO 42 -6.647 16.973 -8.722 354 HB3 PRO 42 1HB PRO 42 -7.081 17.863 -7.227 355 HG2 PRO 42 2HG PRO 42 -4.432 16.536 -7.889 356 HG3 PRO 42 1HG PRO 42 -4.704 18.220 -7.310 357 HD2 PRO 42 2HD PRO 42 -4.029 16.269 -5.584 358 HD3 PRO 42 1HD PRO 42 -5.295 17.449 -5.136 359 H SER 43 H SER 43 -8.678 14.825 -8.566 360 HA SER 43 HA SER 43 -7.722 12.186 -8.879 361 HB2 SER 43 2HB SER 43 -9.388 12.078 -10.709 362 HB3 SER 43 1HB SER 43 -10.049 12.825 -9.237 363 HG SER 43 HG SER 43 -10.557 14.014 -11.137 364 H GLY 44 H GLY 44 -6.501 15.096 -10.261 365 HA2 GLY 44 2HA GLY 44 -5.557 13.912 -12.751 366 HA3 GLY 44 3HA GLY 44 -5.161 15.512 -12.084 367 H ASP 45 H ASP 45 -4.447 13.954 -9.442 368 HA ASP 45 HA ASP 45 -1.756 13.033 -10.344 369 HB2 ASP 45 2HB ASP 45 -2.512 14.681 -7.900 370 HB3 ASP 45 1HB ASP 45 -0.918 13.985 -8.193 371 H VAL 46 H VAL 46 -4.663 12.095 -8.906 372 HA VAL 46 HA VAL 46 -3.656 10.718 -6.644 373 HB VAL 46 HB VAL 46 -6.013 11.423 -6.990 374 HG11 VAL 46 1HG1 VAL 46 -6.258 8.874 -8.633 375 HG12 VAL 46 2HG1 VAL 46 -7.571 9.932 -8.067 376 HG13 VAL 46 3HG1 VAL 46 -6.410 10.535 -9.273 377 HG21 VAL 46 1HG2 VAL 46 -5.524 8.512 -6.295 378 HG22 VAL 46 2HG2 VAL 46 -5.326 9.917 -5.211 379 HG23 VAL 46 3HG2 VAL 46 -6.942 9.480 -5.828 380 HA PRO 47 HA PRO 47 -3.472 6.724 -9.220 381 HB2 PRO 47 2HB PRO 47 -2.652 6.824 -11.820 382 HB3 PRO 47 1HB PRO 47 -4.380 6.995 -11.353 383 HG2 PRO 47 2HG PRO 47 -2.379 9.216 -11.890 384 HG3 PRO 47 1HG PRO 47 -4.008 9.007 -12.615 385 HD2 PRO 47 2HD PRO 47 -3.642 10.611 -10.490 386 HD3 PRO 47 1HD PRO 47 -5.084 9.548 -10.576 387 H ASP 48 H ASP 48 -1.352 9.512 -9.579 388 HA ASP 48 HA ASP 48 1.071 7.911 -9.859 389 HB2 ASP 48 2HB ASP 48 0.800 10.188 -10.830 390 HB3 ASP 48 1HB ASP 48 0.701 10.850 -9.187 391 H VAL 49 H VAL 49 -0.814 9.369 -7.224 392 HA VAL 49 HA VAL 49 1.275 8.874 -5.230 393 HB VAL 49 HB VAL 49 -1.692 9.486 -4.867 394 HG11 VAL 49 1HG1 VAL 49 0.689 9.701 -2.990 395 HG12 VAL 49 2HG1 VAL 49 -0.965 10.243 -2.631 396 HG13 VAL 49 3HG1 VAL 49 -0.638 8.512 -2.874 397 HG21 VAL 49 1HG2 VAL 49 -0.953 11.808 -4.440 398 HG22 VAL 49 2HG2 VAL 49 0.719 11.361 -4.841 399 HG23 VAL 49 3HG2 VAL 49 -0.541 11.323 -6.093 400 H VAL 50 H VAL 50 -1.479 7.145 -6.622 401 HA VAL 50 HA VAL 50 -1.690 5.137 -4.571 402 HB VAL 50 HB VAL 50 -2.525 5.344 -7.478 403 HG11 VAL 50 1HG1 VAL 50 -3.835 3.230 -7.084 404 HG12 VAL 50 2HG1 VAL 50 -2.085 2.975 -7.174 405 HG13 VAL 50 3HG1 VAL 50 -2.897 2.983 -5.590 406 HG21 VAL 50 1HG2 VAL 50 -3.756 6.632 -5.709 407 HG22 VAL 50 2HG2 VAL 50 -4.765 5.403 -6.491 408 HG23 VAL 50 3HG2 VAL 50 -4.090 5.100 -4.871 409 H GLN 51 H GLN 51 0.213 5.381 -7.637 410 HA GLN 51 HA GLN 51 1.297 2.722 -7.372 411 HB2 GLN 51 2HB GLN 51 1.115 3.981 -9.509 412 HB3 GLN 51 1HB GLN 51 2.287 5.166 -8.899 413 HG2 GLN 51 2HG GLN 51 3.990 3.386 -8.702 414 HG3 GLN 51 1HG GLN 51 2.810 2.185 -9.256 415 HE21 GLN 51 1HE2 GLN 51 4.782 2.929 -12.250 416 HE22 GLN 51 2HE2 GLN 51 4.935 2.068 -10.733 417 H GLU 52 H GLU 52 2.236 5.966 -6.183 418 HA GLU 52 HA GLU 52 4.874 5.202 -5.369 419 HB2 GLU 52 2HB GLU 52 4.070 7.547 -5.651 420 HB3 GLU 52 1HB GLU 52 2.998 7.335 -4.257 421 HG2 GLU 52 2HG GLU 52 5.034 8.509 -3.593 422 HG3 GLU 52 1HG GLU 52 4.939 6.942 -2.792 423 H ALA 53 H ALA 53 1.654 4.899 -3.881 424 HA ALA 53 HA ALA 53 2.675 4.109 -1.289 425 HB1 ALA 53 1HB ALA 53 -0.068 3.747 -2.576 426 HB2 ALA 53 2HB ALA 53 0.322 3.535 -0.851 427 HB3 ALA 53 3HB ALA 53 0.459 5.140 -1.608 428 H PHE 54 H PHE 54 1.953 2.426 -4.337 429 HA PHE 54 HA PHE 54 2.032 -0.204 -3.082 430 HB2 PHE 54 2HB PHE 54 1.806 0.874 -5.886 431 HB3 PHE 54 1HB PHE 54 2.184 -0.824 -5.625 432 HD1 PHE 54 1HD PHE 54 -0.400 1.089 -6.551 433 HD2 PHE 54 2HD PHE 54 0.549 -1.688 -3.409 434 HE1 PHE 54 1HE PHE 54 -2.795 0.532 -6.320 435 HE2 PHE 54 2HE PHE 54 -1.871 -2.217 -3.154 436 HZ PHE 54 HZ PHE 54 -3.532 -1.133 -4.623 437 H ILE 55 H ILE 55 4.362 1.981 -4.688 438 HA ILE 55 HA ILE 55 6.421 -0.061 -4.886 439 HB ILE 55 HB ILE 55 6.474 2.983 -4.836 440 HG12 ILE 55 2HG1 ILE 55 5.553 2.259 -6.891 441 HG13 ILE 55 1HG1 ILE 55 7.254 2.582 -7.234 442 HG21 ILE 55 1HG2 ILE 55 8.787 1.040 -5.182 443 HG22 ILE 55 2HG2 ILE 55 8.854 2.782 -5.552 444 HG23 ILE 55 3HG2 ILE 55 8.567 2.252 -3.891 445 HD11 ILE 55 1HD1 ILE 55 7.694 0.098 -6.957 446 HD12 ILE 55 2HD1 ILE 55 5.931 -0.128 -6.799 447 HD13 ILE 55 3HD1 ILE 55 6.611 0.504 -8.308 448 H LYS 56 H LYS 56 5.397 2.256 -2.414 449 HA LYS 56 HA LYS 56 7.502 1.578 -0.544 450 HB2 LYS 56 2HB LYS 56 4.759 2.861 -0.289 451 HB3 LYS 56 1HB LYS 56 5.875 2.665 1.082 452 HG2 LYS 56 2HG LYS 56 7.570 3.979 -0.034 453 HG3 LYS 56 1HG LYS 56 6.613 4.084 -1.518 454 HD2 LYS 56 2HD LYS 56 4.964 5.464 -0.538 455 HD3 LYS 56 1HD LYS 56 5.473 5.069 1.113 456 HE2 LYS 56 2HE LYS 56 7.582 6.253 0.803 457 HE3 LYS 56 1HE LYS 56 7.172 6.607 -0.892 458 HZ1 LYS 56 1HZ LYS 56 6.701 8.463 0.539 459 HZ2 LYS 56 2HZ LYS 56 5.300 7.877 -0.101 460 HZ3 LYS 56 3HZ LYS 56 5.690 7.552 1.463 461 H ALA 57 H ALA 57 4.368 0.173 -1.416 462 HA ALA 57 HA ALA 57 4.185 -1.506 0.927 463 HB1 ALA 57 1HB ALA 57 2.910 -1.762 -1.829 464 HB2 ALA 57 2HB ALA 57 2.407 -2.626 -0.362 465 HB3 ALA 57 3HB ALA 57 2.223 -0.867 -0.444 466 H TYR 58 H TYR 58 5.722 -1.817 -2.298 467 HA TYR 58 HA TYR 58 6.185 -4.659 -2.057 468 HB2 TYR 58 2HB TYR 58 6.130 -3.495 -4.214 469 HB3 TYR 58 1HB TYR 58 7.487 -2.476 -3.722 470 HD1 TYR 58 1HD TYR 58 6.554 -6.052 -4.332 471 HD2 TYR 58 2HD TYR 58 9.685 -3.114 -4.124 472 HE1 TYR 58 1HE TYR 58 8.176 -7.722 -5.214 473 HE2 TYR 58 2HE TYR 58 11.309 -4.768 -5.009 474 HH TYR 58 HH TYR 58 10.352 -8.127 -5.825 475 H ARG 59 H ARG 59 8.215 -1.742 -1.602 476 HA ARG 59 HA ARG 59 10.601 -3.138 -0.860 477 HB2 ARG 59 2HB ARG 59 9.651 -0.291 -0.445 478 HB3 ARG 59 1HB ARG 59 11.323 -0.841 -0.187 479 HG2 ARG 59 2HG ARG 59 11.561 -1.450 -2.518 480 HG3 ARG 59 1HG ARG 59 9.835 -1.213 -2.827 481 HD2 ARG 59 2HD ARG 59 11.037 0.691 -3.683 482 HD3 ARG 59 1HD ARG 59 10.031 1.172 -2.308 483 HE ARG 59 HE ARG 59 12.664 0.519 -1.384 484 HH11 ARG 59 1HH1 ARG 59 10.947 3.017 -3.212 485 HH12 ARG 59 2HH1 ARG 59 12.070 4.278 -2.763 486 HH21 ARG 59 1HH2 ARG 59 14.104 2.183 -0.815 487 HH22 ARG 59 2HH2 ARG 59 13.861 3.805 -1.423 488 H ALA 60 H ALA 60 7.721 -2.369 0.910 489 HA ALA 60 HA ALA 60 9.131 -3.006 3.452 490 HB1 ALA 60 1HB ALA 60 6.447 -1.648 3.040 491 HB2 ALA 60 2HB ALA 60 7.283 -1.908 4.589 492 HB3 ALA 60 3HB ALA 60 7.987 -0.815 3.376 493 H LEU 61 H LEU 61 7.330 -4.546 1.063 494 HA LEU 61 HA LEU 61 5.533 -6.038 2.750 495 HB2 LEU 61 2HB LEU 61 6.194 -5.864 -0.074 496 HB3 LEU 61 1HB LEU 61 6.175 -7.559 0.427 497 HG LEU 61 HG LEU 61 3.929 -5.577 0.999 498 HD11 LEU 61 1HD1 LEU 61 4.185 -6.025 -1.403 499 HD12 LEU 61 2HD1 LEU 61 4.198 -7.777 -1.086 500 HD13 LEU 61 3HD1 LEU 61 2.727 -6.818 -0.766 501 HD21 LEU 61 1HD2 LEU 61 2.670 -7.674 1.500 502 HD22 LEU 61 2HD2 LEU 61 4.188 -8.591 1.308 503 HD23 LEU 61 3HD2 LEU 61 4.012 -7.403 2.623 504 H ASP 62 H ASP 62 8.923 -6.375 1.842 505 HA ASP 62 HA ASP 62 9.146 -9.060 2.931 506 HB2 ASP 62 2HB ASP 62 10.655 -8.135 1.170 507 HB3 ASP 62 1HB ASP 62 11.283 -6.972 2.347 508 H SER 63 H SER 63 8.555 -6.102 4.369 509 HA SER 63 HA SER 63 9.776 -6.993 6.933 510 HB2 SER 63 2HB SER 63 10.679 -4.855 5.997 511 HB3 SER 63 1HB SER 63 9.045 -4.164 6.088 512 HG SER 63 HG SER 63 9.102 -4.611 8.346 513 H PHE 64 H PHE 64 6.919 -6.756 5.181 514 HA PHE 64 HA PHE 64 5.082 -6.084 7.307 515 HB2 PHE 64 2HB PHE 64 4.488 -5.790 4.948 516 HB3 PHE 64 1HB PHE 64 4.807 -7.481 4.626 517 HD1 PHE 64 1HD PHE 64 2.627 -5.333 6.804 518 HD2 PHE 64 2HD PHE 64 3.033 -8.989 4.584 519 HE1 PHE 64 1HE PHE 64 0.260 -5.898 7.299 520 HE2 PHE 64 2HE PHE 64 0.660 -9.538 5.062 521 HZ PHE 64 HZ PHE 64 -0.723 -7.998 6.428 522 H ASP 65 H ASP 65 4.044 -7.431 8.724 523 HA ASP 65 HA ASP 65 4.942 -10.245 8.878 524 HB2 ASP 65 2HB ASP 65 4.938 -8.903 10.922 525 HB3 ASP 65 1HB ASP 65 3.224 -8.520 10.698 526 H ILE 66 H ILE 66 3.873 -11.695 7.702 527 HA ILE 66 HA ILE 66 1.486 -11.163 6.304 528 HB ILE 66 HB ILE 66 3.042 -12.817 5.526 529 HG12 ILE 66 2HG1 ILE 66 1.622 -14.826 5.243 530 HG13 ILE 66 1HG1 ILE 66 0.512 -14.231 6.477 531 HG21 ILE 66 1HG2 ILE 66 2.516 -14.313 8.117 532 HG22 ILE 66 2HG2 ILE 66 3.483 -14.909 6.738 533 HG23 ILE 66 3HG2 ILE 66 4.036 -13.499 7.647 534 HD11 ILE 66 1HD1 ILE 66 -0.254 -13.676 4.163 535 HD12 ILE 66 2HD1 ILE 66 0.074 -12.200 5.099 536 HD13 ILE 66 3HD1 ILE 66 1.262 -12.777 3.903 537 H ASN 67 H ASN 67 1.972 -12.148 9.606 538 HA ASN 67 HA ASN 67 -0.611 -13.452 9.853 539 HB2 ASN 67 2HB ASN 67 1.400 -12.598 11.961 540 HB3 ASN 67 1HB ASN 67 -0.007 -13.667 12.189 541 HD21 ASN 67 1HD2 ASN 67 3.390 -15.087 10.363 542 HD22 ASN 67 2HD2 ASN 67 3.207 -13.381 10.735 543 H ARG 68 H ARG 68 0.200 -10.299 9.467 544 HA ARG 68 HA ARG 68 -1.941 -9.195 11.221 545 HB2 ARG 68 2HB ARG 68 0.225 -7.850 9.576 546 HB3 ARG 68 1HB ARG 68 -0.918 -7.008 10.623 547 HG2 ARG 68 2HG ARG 68 1.126 -9.071 11.550 548 HG3 ARG 68 1HG ARG 68 1.279 -7.312 11.724 549 HD2 ARG 68 2HD ARG 68 -0.725 -7.264 13.145 550 HD3 ARG 68 1HD ARG 68 -0.906 -9.025 12.975 551 HE ARG 68 HE ARG 68 1.599 -8.893 13.915 552 HH11 ARG 68 1HH1 ARG 68 -1.351 -7.276 15.011 553 HH12 ARG 68 2HH1 ARG 68 -0.823 -7.185 16.677 554 HH21 ARG 68 1HH2 ARG 68 2.258 -8.769 16.093 555 HH22 ARG 68 2HH2 ARG 68 1.213 -8.043 17.289 556 H LYS 69 H LYS 69 -3.181 -7.335 10.093 557 HA LYS 69 HA LYS 69 -4.571 -8.522 7.857 558 HB2 LYS 69 2HB LYS 69 -4.799 -5.725 9.016 559 HB3 LYS 69 1HB LYS 69 -5.944 -6.511 7.898 560 HG2 LYS 69 2HG LYS 69 -6.225 -8.319 9.675 561 HG3 LYS 69 1HG LYS 69 -5.261 -7.287 10.758 562 HD2 LYS 69 2HD LYS 69 -7.632 -6.966 11.193 563 HD3 LYS 69 1HD LYS 69 -6.940 -5.476 10.523 564 HE2 LYS 69 2HE LYS 69 -7.843 -6.013 8.308 565 HE3 LYS 69 1HE LYS 69 -8.424 -7.585 8.900 566 HZ1 LYS 69 1HZ LYS 69 -10.172 -5.941 8.837 567 HZ2 LYS 69 2HZ LYS 69 -9.888 -6.424 10.386 568 HZ3 LYS 69 3HZ LYS 69 -9.345 -4.964 9.872 569 H PHE 70 H PHE 70 -4.222 -8.311 5.742 570 HA PHE 70 HA PHE 70 -1.883 -6.907 4.788 571 HB2 PHE 70 2HB PHE 70 -3.001 -7.678 2.531 572 HB3 PHE 70 1HB PHE 70 -2.279 -8.854 3.630 573 HD1 PHE 70 1HD PHE 70 -5.552 -7.443 2.503 574 HD2 PHE 70 2HD PHE 70 -3.521 -10.570 4.648 575 HE1 PHE 70 1HE PHE 70 -7.674 -8.717 2.679 576 HE2 PHE 70 2HE PHE 70 -5.643 -11.841 4.808 577 HZ PHE 70 HZ PHE 70 -7.719 -10.909 3.827 578 H SER 71 H SER 71 -5.409 -6.233 4.708 579 HA SER 71 HA SER 71 -5.023 -4.024 2.849 580 HB2 SER 71 2HB SER 71 -7.463 -3.713 3.197 581 HB3 SER 71 1HB SER 71 -7.007 -5.362 2.714 582 HG SER 71 HG SER 71 -8.486 -5.333 4.475 583 H THR 72 H THR 72 -5.541 -4.388 6.373 584 HA THR 72 HA THR 72 -6.030 -1.661 6.980 585 HB THR 72 HB THR 72 -4.571 -3.783 8.591 586 HG1 THR 72 1HG THR 72 -7.345 -3.206 8.417 587 HG21 THR 72 1HG2 THR 72 -4.482 -1.578 9.666 588 HG22 THR 72 2HG2 THR 72 -6.252 -1.419 9.490 589 HG23 THR 72 3HG2 THR 72 -5.566 -2.684 10.542 590 H TRP 73 H TRP 73 -3.027 -3.528 6.547 591 HA TRP 73 HA TRP 73 -1.266 -1.352 7.351 592 HB2 TRP 73 2HB TRP 73 -0.641 -3.613 7.779 593 HB3 TRP 73 1HB TRP 73 -0.938 -4.079 6.111 594 HD1 TRP 73 HD TRP 73 1.695 -2.366 8.287 595 HE1 TRP 73 1HE TRP 73 3.923 -2.376 7.052 596 HE3 TRP 73 3HE TRP 73 0.036 -3.897 3.714 597 HZ2 TRP 73 2HZ TRP 73 4.896 -3.100 4.403 598 HZ3 TRP 73 3HZ TRP 73 1.618 -4.178 1.840 599 HH2 TRP 73 HH TRP 73 4.052 -3.794 2.176 600 H LEU 74 H LEU 74 -2.750 -2.529 4.341 601 HA LEU 74 HA LEU 74 -0.955 -1.084 2.589 602 HB2 LEU 74 2HB LEU 74 -2.222 -3.050 1.826 603 HB3 LEU 74 1HB LEU 74 -3.743 -2.243 2.201 604 HG LEU 74 HG LEU 74 -3.355 -0.554 0.479 605 HD11 LEU 74 1HD1 LEU 74 -1.464 -0.756 -1.100 606 HD12 LEU 74 2HD1 LEU 74 -0.902 -0.387 0.533 607 HD13 LEU 74 3HD1 LEU 74 -0.762 -2.049 -0.102 608 HD21 LEU 74 1HD2 LEU 74 -4.448 -2.680 -0.126 609 HD22 LEU 74 2HD2 LEU 74 -3.500 -2.035 -1.483 610 HD23 LEU 74 3HD2 LEU 74 -2.862 -3.388 -0.520 611 H TYR 75 H TYR 75 -4.190 -0.416 4.033 612 HA TYR 75 HA TYR 75 -4.601 2.004 2.539 613 HB2 TYR 75 2HB TYR 75 -5.763 1.092 5.191 614 HB3 TYR 75 1HB TYR 75 -6.387 2.406 4.197 615 HD1 TYR 75 1HD TYR 75 -6.101 1.027 1.454 616 HD2 TYR 75 2HD TYR 75 -7.634 -0.332 5.244 617 HE1 TYR 75 1HE TYR 75 -7.572 -0.571 0.283 618 HE2 TYR 75 2HE TYR 75 -9.103 -1.948 4.071 619 HH TYR 75 HH TYR 75 -9.155 -2.220 0.494 620 H ARG 76 H ARG 76 -3.039 1.274 5.651 621 HA ARG 76 HA ARG 76 -2.902 3.965 6.605 622 HB2 ARG 76 2HB ARG 76 -2.643 1.974 8.015 623 HB3 ARG 76 1HB ARG 76 -1.213 1.475 7.111 624 HG2 ARG 76 2HG ARG 76 -0.669 2.478 9.289 625 HG3 ARG 76 1HG ARG 76 0.049 3.390 7.952 626 HD2 ARG 76 2HD ARG 76 -1.497 5.159 8.179 627 HD3 ARG 76 1HD ARG 76 -2.631 4.164 9.130 628 HE ARG 76 HE ARG 76 -0.448 4.154 10.725 629 HH11 ARG 76 1HH1 ARG 76 -2.139 6.824 9.139 630 HH12 ARG 76 2HH1 ARG 76 -1.752 7.964 10.406 631 HH21 ARG 76 1HH2 ARG 76 0.056 5.655 12.333 632 HH22 ARG 76 2HH2 ARG 76 -0.499 7.310 12.205 633 H ILE 77 H ILE 77 -0.942 2.101 4.331 634 HA ILE 77 HA ILE 77 1.271 4.004 4.349 635 HB ILE 77 HB ILE 77 0.498 1.599 2.654 636 HG12 ILE 77 2HG1 ILE 77 2.670 2.207 4.702 637 HG13 ILE 77 1HG1 ILE 77 1.239 1.218 4.978 638 HG21 ILE 77 1HG2 ILE 77 2.969 3.362 2.382 639 HG22 ILE 77 2HG2 ILE 77 2.705 1.803 1.555 640 HG23 ILE 77 3HG2 ILE 77 1.665 3.167 1.181 641 HD11 ILE 77 1HD1 ILE 77 3.132 -0.239 4.604 642 HD12 ILE 77 2HD1 ILE 77 2.012 -0.387 3.229 643 HD13 ILE 77 3HD1 ILE 77 3.516 0.552 3.060 644 H ALA 78 H ALA 78 -1.705 3.490 2.445 645 HA ALA 78 HA ALA 78 -0.806 5.201 0.293 646 HB1 ALA 78 1HB ALA 78 -2.374 3.358 -0.029 647 HB2 ALA 78 2HB ALA 78 -3.566 4.158 1.027 648 HB3 ALA 78 3HB ALA 78 -3.105 4.910 -0.520 649 H VAL 79 H VAL 79 -2.670 5.701 3.304 650 HA VAL 79 HA VAL 79 -3.422 8.394 2.445 651 HB VAL 79 HB VAL 79 -4.915 7.054 3.832 652 HG11 VAL 79 1HG1 VAL 79 -2.857 7.428 6.039 653 HG12 VAL 79 2HG1 VAL 79 -4.473 6.688 6.188 654 HG13 VAL 79 3HG1 VAL 79 -3.222 5.890 5.208 655 HG21 VAL 79 1HG2 VAL 79 -4.937 9.555 3.865 656 HG22 VAL 79 2HG2 VAL 79 -5.516 8.837 5.389 657 HG23 VAL 79 3HG2 VAL 79 -3.877 9.516 5.288 658 H ASN 80 H ASN 80 -0.834 6.877 4.348 659 HA ASN 80 HA ASN 80 0.138 9.450 5.311 660 HB2 ASN 80 2HB ASN 80 1.333 6.651 5.219 661 HB3 ASN 80 1HB ASN 80 2.184 8.045 5.888 662 HD21 ASN 80 1HD2 ASN 80 0.671 6.454 8.809 663 HD22 ASN 80 2HD2 ASN 80 1.952 6.158 7.648 664 H THR 81 H THR 81 0.684 7.373 2.465 665 HA THR 81 HA THR 81 2.921 8.909 1.465 666 HB THR 81 HB THR 81 0.941 6.990 0.178 667 HG1 THR 81 1HG THR 81 2.372 6.027 1.535 668 HG21 THR 81 1HG2 THR 81 3.378 8.355 -1.033 669 HG22 THR 81 2HG2 THR 81 2.576 6.915 -1.715 670 HG23 THR 81 3HG2 THR 81 1.694 8.442 -1.604 671 H ALA 82 H ALA 82 -0.581 9.267 1.458 672 HA ALA 82 HA ALA 82 -0.745 11.137 -0.715 673 HB1 ALA 82 1HB ALA 82 -2.644 9.804 0.280 674 HB2 ALA 82 2HB ALA 82 -2.516 10.799 1.748 675 HB3 ALA 82 3HB ALA 82 -2.980 11.555 0.208 676 H LYS 83 H LYS 83 -0.458 11.441 2.841 677 HA LYS 83 HA LYS 83 -0.584 14.312 2.905 678 HB2 LYS 83 2HB LYS 83 0.418 12.166 4.820 679 HB3 LYS 83 1HB LYS 83 0.222 13.875 5.272 680 HG2 LYS 83 2HG LYS 83 -2.101 13.825 5.052 681 HG3 LYS 83 1HG LYS 83 -2.097 12.366 4.039 682 HD2 LYS 83 2HD LYS 83 -1.413 10.974 5.881 683 HD3 LYS 83 1HD LYS 83 -1.221 12.391 6.950 684 HE2 LYS 83 2HE LYS 83 -3.626 12.889 6.689 685 HE3 LYS 83 1HE LYS 83 -3.808 11.481 5.632 686 HZ1 LYS 83 1HZ LYS 83 -4.450 10.977 7.892 687 HZ2 LYS 83 2HZ LYS 83 -3.121 10.096 7.488 688 HZ3 LYS 83 3HZ LYS 83 -2.973 11.413 8.461 689 H ASN 84 H ASN 84 2.035 11.922 2.649 690 HA ASN 84 HA ASN 84 4.136 13.892 3.007 691 HB2 ASN 84 2HB ASN 84 4.121 11.069 1.874 692 HB3 ASN 84 1HB ASN 84 5.581 12.047 2.114 693 HD21 ASN 84 1HD2 ASN 84 5.389 9.904 5.096 694 HD22 ASN 84 2HD2 ASN 84 5.723 9.746 3.386 695 H TYR 85 H TYR 85 2.165 12.811 0.269 696 HA TYR 85 HA TYR 85 3.963 13.923 -1.726 697 HB2 TYR 85 2HB TYR 85 2.422 12.135 -2.285 698 HB3 TYR 85 1HB TYR 85 1.041 13.117 -1.794 699 HD1 TYR 85 1HD TYR 85 -0.018 14.561 -3.338 700 HD2 TYR 85 2HD TYR 85 3.889 12.994 -4.241 701 HE1 TYR 85 1HE TYR 85 -0.189 15.469 -5.642 702 HE2 TYR 85 2HE TYR 85 3.721 13.893 -6.540 703 HH TYR 85 HH TYR 85 0.850 15.713 -7.671 704 H LEU 86 H LEU 86 1.178 15.038 0.201 705 HA LEU 86 HA LEU 86 0.855 17.566 -1.137 706 HB2 LEU 86 2HB LEU 86 0.227 16.581 1.666 707 HB3 LEU 86 1HB LEU 86 -0.256 18.175 1.081 708 HG LEU 86 HG LEU 86 -1.119 15.510 -0.133 709 HD11 LEU 86 1HD1 LEU 86 -2.127 16.014 2.078 710 HD12 LEU 86 2HD1 LEU 86 -2.647 17.602 1.467 711 HD13 LEU 86 3HD1 LEU 86 -3.332 16.114 0.777 712 HD21 LEU 86 1HD2 LEU 86 -1.909 18.366 -0.829 713 HD22 LEU 86 2HD2 LEU 86 -1.015 17.229 -1.871 714 HD23 LEU 86 3HD2 LEU 86 -2.700 16.895 -1.447 715 H VAL 87 H VAL 87 3.102 16.369 1.316 716 HA VAL 87 HA VAL 87 4.166 19.029 1.910 717 HB VAL 87 HB VAL 87 5.126 16.206 2.504 718 HG11 VAL 87 1HG1 VAL 87 6.235 18.884 3.442 719 HG12 VAL 87 2HG1 VAL 87 6.702 17.288 4.089 720 HG13 VAL 87 3HG1 VAL 87 7.070 17.706 2.407 721 HG21 VAL 87 1HG2 VAL 87 3.046 16.963 3.677 722 HG22 VAL 87 2HG2 VAL 87 4.413 16.743 4.789 723 HG23 VAL 87 3HG2 VAL 87 3.936 18.380 4.280 724 H ALA 88 H ALA 88 4.846 16.303 -0.290 725 HA ALA 88 HA ALA 88 7.386 17.280 -1.173 726 HB1 ALA 88 1HB ALA 88 5.395 15.433 -2.553 727 HB2 ALA 88 2HB ALA 88 7.119 15.607 -2.947 728 HB3 ALA 88 3HB ALA 88 6.638 14.927 -1.379 729 H GLN 89 H GLN 89 4.079 18.229 -1.926 730 HA GLN 89 HA GLN 89 5.247 19.975 -4.029 731 HB2 GLN 89 2HB GLN 89 2.291 19.446 -3.753 732 HB3 GLN 89 1HB GLN 89 3.179 20.142 -5.118 733 HG2 GLN 89 2HG GLN 89 3.285 17.248 -4.170 734 HG3 GLN 89 1HG GLN 89 2.467 17.836 -5.606 735 HE21 GLN 89 1HE2 GLN 89 5.806 16.316 -6.472 736 HE22 GLN 89 2HE2 GLN 89 4.416 15.778 -5.553 737 H GLY 90 H GLY 90 4.394 19.954 -0.819 738 HA2 GLY 90 2HA GLY 90 3.230 22.622 -0.640 739 HA3 GLY 90 3HA GLY 90 3.868 21.619 0.685 740 H ARG 91 H ARG 91 6.416 21.223 -0.957 741 HA ARG 91 HA ARG 91 7.704 23.831 -0.360 742 HB2 ARG 91 2HB ARG 91 8.883 21.043 -0.671 743 HB3 ARG 91 1HB ARG 91 9.806 22.526 -0.351 744 HG2 ARG 91 2HG ARG 91 8.476 22.885 1.730 745 HG3 ARG 91 1HG ARG 91 7.621 21.360 1.433 746 HD2 ARG 91 2HD ARG 91 9.445 21.045 3.060 747 HD3 ARG 91 1HD ARG 91 9.715 20.104 1.587 748 HE ARG 91 HE ARG 91 11.667 21.257 1.256 749 HH11 ARG 91 1HH1 ARG 91 9.594 23.250 3.342 750 HH12 ARG 91 2HH1 ARG 91 10.809 24.506 3.491 751 HH21 ARG 91 1HH2 ARG 91 13.214 22.915 1.549 752 HH22 ARG 91 2HH2 ARG 91 12.801 24.316 2.517 753 H ARG 92 H ARG 92 6.091 22.975 -2.791 754 HA ARG 92 HA ARG 92 7.998 22.783 -4.976 755 HB2 ARG 92 2HB ARG 92 5.824 21.631 -4.930 756 HB3 ARG 92 1HB ARG 92 4.983 23.190 -4.868 757 HG2 ARG 92 2HG ARG 92 4.948 22.119 -7.082 758 HG3 ARG 92 1HG ARG 92 5.700 23.726 -7.118 759 HD2 ARG 92 2HD ARG 92 7.957 22.623 -7.033 760 HD3 ARG 92 1HD ARG 92 7.147 21.044 -7.075 761 HE ARG 92 HE ARG 92 6.758 21.308 -9.342 762 HH11 ARG 92 1HH1 ARG 92 7.746 24.423 -7.968 763 HH12 ARG 92 2HH1 ARG 92 7.940 25.176 -9.533 764 HH21 ARG 92 1HH2 ARG 92 7.008 22.335 -11.366 765 HH22 ARG 92 2HH2 ARG 92 7.512 24.005 -11.445 766 H LEU 93 H LEU 93 6.619 25.383 -3.173 767 HA LEU 93 HA LEU 93 7.674 27.297 -5.165 768 HB2 LEU 93 2HB LEU 93 5.211 26.972 -5.484 769 HB3 LEU 93 1HB LEU 93 4.948 27.518 -3.824 770 HG LEU 93 HG LEU 93 5.827 29.750 -4.403 771 HD11 LEU 93 1HD1 LEU 93 6.183 28.572 -7.197 772 HD12 LEU 93 2HD1 LEU 93 6.320 30.295 -6.777 773 HD13 LEU 93 3HD1 LEU 93 7.487 29.136 -6.119 774 HD21 LEU 93 1HD2 LEU 93 3.439 29.249 -4.747 775 HD22 LEU 93 2HD2 LEU 93 4.036 30.411 -5.954 776 HD23 LEU 93 3HD2 LEU 93 3.784 28.709 -6.404 777 H GLU 94 H GLU 94 7.908 26.122 -2.098 778 HA GLU 94 HA GLU 94 8.956 28.683 -1.073 779 HB2 GLU 94 2HB GLU 94 6.598 28.573 -0.329 780 HB3 GLU 94 1HB GLU 94 6.902 26.983 0.402 781 HG2 GLU 94 2HG GLU 94 8.533 27.969 1.938 782 HG3 GLU 94 1HG GLU 94 8.352 29.549 1.161 783 H LEU 95 H LEU 95 10.650 28.422 0.351 784 HA LEU 95 HA LEU 95 11.564 25.626 0.845 785 HB2 LEU 95 2HB LEU 95 13.125 28.163 0.228 786 HB3 LEU 95 1HB LEU 95 13.851 26.742 0.974 787 HG LEU 95 HG LEU 95 13.138 25.361 -0.998 788 HD11 LEU 95 1HD1 LEU 95 12.470 28.104 -2.160 789 HD12 LEU 95 2HD1 LEU 95 12.712 26.635 -3.124 790 HD13 LEU 95 3HD1 LEU 95 11.357 26.720 -1.986 791 HD21 LEU 95 1HD2 LEU 95 15.410 26.284 -0.706 792 HD22 LEU 95 2HD2 LEU 95 14.947 26.232 -2.423 793 HD23 LEU 95 3HD2 LEU 95 14.915 27.775 -1.535 794 H5' GNG 96 H5T DG 96 12.614 3.283 7.788 795 H5'1 GNG 96 1H5* DG 96 11.388 1.338 7.759 796 H5'2 GNG 96 2H5* DG 96 10.543 2.669 6.955 797 H4' GNG 96 H4* DG 96 10.148 1.831 9.862 798 H1' GNG 96 H1* DG 96 7.058 3.127 9.172 799 H8 GNG 96 8H DG 96 8.087 4.126 5.605 800 HN21 GNG 96 1H2 DG 96 5.070 8.164 11.130 801 HN22 GNG 96 2H2 DG 96 5.639 6.603 11.681 802 H2'1 GNG 96 1H2* DG 96 8.308 2.257 6.553 803 H2'2 GNG 96 2H2* DG 96 6.867 1.593 7.393 804 H3' GNG 96 H3* DG 96 9.289 0.429 7.688 805 HN1 GNG 96 1H DG 96 5.243 8.783 8.991 806 H5' DT 97 1H5* DT 97 6.060 1.590 10.746 807 H5'' DT 97 2H5* DT 97 4.924 0.280 11.106 808 H4' DT 97 H4* DT 97 3.858 2.531 11.062 809 H3' DT 97 H3* DT 97 2.751 0.229 9.968 810 H2' DT 97 1H2* DT 97 3.464 0.654 7.756 811 H2'' DT 97 2H2* DT 97 1.835 1.415 7.728 812 H1' DT 97 H1* DT 97 2.678 3.555 8.268 813 H3 DT 97 3H DT 97 4.438 5.566 4.650 814 H71 DT 97 1H7 DT 97 6.201 0.435 4.813 815 H72 DT 97 2H7 DT 97 5.797 1.162 3.236 816 H73 DT 97 3H7 DT 97 7.254 1.678 4.100 817 H6 DT 97 6H DT 97 4.933 1.171 6.523 818 H5' DA 98 1H5* DA 98 -0.671 0.397 9.844 819 H5'' DA 98 2H5* DA 98 -1.577 1.079 11.201 820 H4' DA 98 H4* DA 98 -2.567 -1.027 10.712 821 H3' DA 98 H3* DA 98 -1.694 -0.563 13.244 822 H2' DA 98 1H2* DA 98 0.450 -1.526 13.075 823 H2'' DA 98 2H2* DA 98 -0.452 -2.979 13.594 824 H1' DA 98 H1* DA 98 -0.534 -3.864 11.469 825 H8 DA 98 8H DA 98 2.085 -1.033 11.825 826 H61 DA 98 1H6 DA 98 5.974 -5.098 9.177 827 H62 DA 98 2H6 DA 98 5.848 -3.516 9.916 828 H2 DA 98 2H DA 98 1.886 -6.860 9.178 829 H5' DA 99 1H5* DA 99 -5.541 -3.401 12.924 830 H5'' DA 99 2H5* DA 99 -5.282 -1.688 12.588 831 H4' DA 99 H4* DA 99 -7.374 -2.924 14.450 832 H3' DA 99 H3* DA 99 -7.494 -2.643 11.760 833 H2' DA 99 1H2* DA 99 -7.055 -0.418 11.352 834 H2'' DA 99 2H2* DA 99 -8.694 -0.072 11.948 835 H1' DA 99 H1* DA 99 -7.851 0.924 13.786 836 H8 DA 99 8H DA 99 -5.615 0.909 11.137 837 H61 DA 99 1H6 DA 99 -0.863 2.582 14.786 838 H62 DA 99 2H6 DA 99 -1.371 2.428 13.122 839 H2 DA 99 2H DA 99 -4.154 1.205 17.379 840 H5' DA 100 1H5* DA 100 -9.174 -1.024 10.064 841 H5'' DA 100 2H5* DA 100 -10.200 0.375 10.424 842 H4' DA 100 H4* DA 100 -11.578 -1.713 8.841 843 H3' DA 100 H3* DA 100 -8.987 -1.367 8.074 844 H2' DA 100 1H2* DA 100 -8.682 0.780 7.549 845 H2'' DA 100 2H2* DA 100 -9.718 0.526 6.134 846 H1' DA 100 H1* DA 100 -11.334 1.822 7.150 847 H8 DA 100 8H DA 100 -8.225 1.572 9.324 848 H61 DA 100 1H6 DA 100 -10.467 6.448 12.435 849 H62 DA 100 2H6 DA 100 -9.064 5.426 12.202 850 H2 DA 100 2H DA 100 -13.655 4.966 9.743 851 H5' DA 101 1H5* DA 101 -11.299 1.093 5.246 852 H5'' DA 101 2H5* DA 101 -12.987 0.639 5.508 853 H4' DA 101 H4* DA 101 -13.503 0.803 3.177 854 H3' DA 101 H3* DA 101 -11.151 -0.225 2.458 855 HO3' DA 101 H3T DA 101 -12.297 2.020 1.117 856 H2' DA 101 1H2* DA 101 -9.751 1.301 3.572 857 H2'' DA 101 2H2* DA 101 -9.749 2.046 1.936 858 H1' DA 101 H1* DA 101 -11.165 3.752 2.592 859 H8 DA 101 8H DA 101 -8.633 2.465 4.795 860 H61 DA 101 1H6 DA 101 -9.982 6.939 8.873 861 H62 DA 101 2H6 DA 101 -8.798 5.734 8.409 862 H2 DA 101 2H DA 101 -13.345 6.655 5.995 Start of MODEL 9 1 H1 MET 1 1H MET 1 -16.381 -18.988 -11.692 2 H2 MET 1 2H MET 1 -15.443 -20.043 -10.850 3 H3 MET 1 3H MET 1 -15.206 -18.422 -10.686 4 HA MET 1 HA MET 1 -17.339 -18.128 -9.694 5 HB2 MET 1 2HB MET 1 -18.459 -19.988 -10.856 6 HB3 MET 1 1HB MET 1 -17.536 -21.156 -9.890 7 HG2 MET 1 2HG MET 1 -18.533 -20.213 -7.824 8 HG3 MET 1 1HG MET 1 -19.439 -19.047 -8.797 9 HE1 MET 1 1HE MET 1 -22.195 -21.454 -7.400 10 HE2 MET 1 2HE MET 1 -20.704 -20.925 -6.585 11 HE3 MET 1 3HE MET 1 -21.654 -19.770 -7.548 12 H SER 2 H SER 2 -15.586 -21.190 -8.846 13 HA SER 2 HA SER 2 -15.294 -20.206 -6.097 14 HB2 SER 2 2HB SER 2 -14.437 -22.811 -7.412 15 HB3 SER 2 1HB SER 2 -14.348 -22.444 -5.678 16 HG SER 2 HG SER 2 -16.696 -22.525 -7.278 17 H GLU 3 H GLU 3 -13.185 -20.324 -5.004 18 HA GLU 3 HA GLU 3 -10.852 -19.810 -6.772 19 HB2 GLU 3 2HB GLU 3 -11.843 -18.063 -4.477 20 HB3 GLU 3 1HB GLU 3 -10.236 -17.934 -5.195 21 HG2 GLU 3 2HG GLU 3 -12.864 -17.566 -6.688 22 HG3 GLU 3 1HG GLU 3 -11.824 -16.265 -6.114 23 H GLN 4 H GLN 4 -8.796 -19.886 -5.554 24 HA GLN 4 HA GLN 4 -8.938 -21.684 -3.173 25 HB2 GLN 4 2HB GLN 4 -7.123 -21.923 -5.596 26 HB3 GLN 4 1HB GLN 4 -7.024 -22.927 -4.135 27 HG2 GLN 4 2HG GLN 4 -9.347 -23.723 -4.541 28 HG3 GLN 4 1HG GLN 4 -9.395 -22.787 -6.044 29 HE21 GLN 4 1HE2 GLN 4 -8.549 -26.173 -7.152 30 HE22 GLN 4 2HE2 GLN 4 -9.931 -25.284 -6.537 31 H LEU 5 H LEU 5 -7.741 -18.813 -4.588 32 HA LEU 5 HA LEU 5 -5.448 -18.696 -2.680 33 HB2 LEU 5 2HB LEU 5 -5.953 -17.439 -5.396 34 HB3 LEU 5 1HB LEU 5 -4.724 -16.820 -4.289 35 HG LEU 5 HG LEU 5 -3.742 -18.225 -5.987 36 HD11 LEU 5 1HD1 LEU 5 -2.422 -19.702 -4.565 37 HD12 LEU 5 2HD1 LEU 5 -2.706 -18.151 -3.746 38 HD13 LEU 5 3HD1 LEU 5 -3.630 -19.596 -3.275 39 HD21 LEU 5 1HD2 LEU 5 -4.118 -20.586 -6.194 40 HD22 LEU 5 2HD2 LEU 5 -5.243 -20.593 -4.828 41 HD23 LEU 5 3HD2 LEU 5 -5.687 -19.761 -6.347 42 H THR 6 H THR 6 -5.307 -17.038 -1.281 43 HA THR 6 HA THR 6 -7.450 -14.965 -1.310 44 HB THR 6 HB THR 6 -7.815 -16.560 0.499 45 HG1 THR 6 1HG THR 6 -7.779 -15.061 2.168 46 HG21 THR 6 1HG2 THR 6 -5.534 -17.419 0.798 47 HG22 THR 6 2HG2 THR 6 -4.990 -15.822 1.374 48 HG23 THR 6 3HG2 THR 6 -6.143 -16.771 2.334 49 H ASP 7 H ASP 7 -6.650 -12.998 0.136 50 HA ASP 7 HA ASP 7 -4.326 -11.973 -1.220 51 HB2 ASP 7 2HB ASP 7 -5.850 -11.007 1.231 52 HB3 ASP 7 1HB ASP 7 -4.608 -10.069 0.409 53 H GLN 8 H GLN 8 -4.743 -13.810 1.742 54 HA GLN 8 HA GLN 8 -2.380 -12.897 3.079 55 HB2 GLN 8 2HB GLN 8 -4.368 -14.242 4.006 56 HB3 GLN 8 1HB GLN 8 -3.601 -15.673 3.281 57 HG2 GLN 8 2HG GLN 8 -1.534 -15.222 4.571 58 HG3 GLN 8 1HG GLN 8 -2.322 -13.818 5.323 59 HE21 GLN 8 1HE2 GLN 8 -2.705 -16.446 7.838 60 HE22 GLN 8 2HE2 GLN 8 -1.473 -15.377 7.192 61 H VAL 9 H VAL 9 -3.003 -15.563 0.748 62 HA VAL 9 HA VAL 9 -0.282 -16.570 0.996 63 HB VAL 9 HB VAL 9 -2.071 -18.137 0.657 64 HG11 VAL 9 1HG1 VAL 9 -2.705 -16.550 -1.853 65 HG12 VAL 9 2HG1 VAL 9 -3.446 -18.113 -1.396 66 HG13 VAL 9 3HG1 VAL 9 -3.698 -16.677 -0.379 67 HG21 VAL 9 1HG2 VAL 9 0.086 -18.633 -0.475 68 HG22 VAL 9 2HG2 VAL 9 -1.318 -19.356 -1.288 69 HG23 VAL 9 3HG2 VAL 9 -0.565 -17.898 -1.968 70 H LEU 10 H LEU 10 -1.992 -14.237 -0.985 71 HA LEU 10 HA LEU 10 -0.114 -14.130 -3.159 72 HB2 LEU 10 2HB LEU 10 -2.055 -12.137 -1.911 73 HB3 LEU 10 1HB LEU 10 -1.062 -11.748 -3.326 74 HG LEU 10 HG LEU 10 -3.043 -14.071 -3.212 75 HD11 LEU 10 1HD1 LEU 10 -3.166 -11.370 -4.609 76 HD12 LEU 10 2HD1 LEU 10 -4.356 -12.681 -4.779 77 HD13 LEU 10 3HD1 LEU 10 -4.184 -11.841 -3.217 78 HD21 LEU 10 1HD2 LEU 10 -1.204 -14.417 -4.801 79 HD22 LEU 10 2HD2 LEU 10 -2.704 -13.983 -5.671 80 HD23 LEU 10 3HD2 LEU 10 -1.451 -12.740 -5.414 81 H VAL 11 H VAL 11 -0.230 -12.726 0.098 82 HA VAL 11 HA VAL 11 1.925 -10.847 -0.383 83 HB VAL 11 HB VAL 11 0.500 -11.873 2.096 84 HG11 VAL 11 1HG1 VAL 11 2.667 -9.764 1.798 85 HG12 VAL 11 2HG1 VAL 11 1.618 -9.913 3.230 86 HG13 VAL 11 3HG1 VAL 11 2.740 -11.230 2.797 87 HG21 VAL 11 1HG2 VAL 11 0.489 -9.172 0.683 88 HG22 VAL 11 2HG2 VAL 11 -0.752 -10.421 0.473 89 HG23 VAL 11 3HG2 VAL 11 -0.529 -9.663 2.066 90 H GLU 12 H GLU 12 1.685 -14.181 0.981 91 HA GLU 12 HA GLU 12 4.378 -14.131 1.981 92 HB2 GLU 12 2HB GLU 12 2.636 -16.492 1.172 93 HB3 GLU 12 1HB GLU 12 4.146 -16.576 2.109 94 HG2 GLU 12 2HG GLU 12 3.061 -14.989 3.783 95 HG3 GLU 12 1HG GLU 12 1.552 -15.212 2.908 96 H ARG 13 H ARG 13 2.945 -14.861 -1.187 97 HA ARG 13 HA ARG 13 5.235 -16.142 -2.348 98 HB2 ARG 13 2HB ARG 13 2.805 -14.667 -3.406 99 HB3 ARG 13 1HB ARG 13 4.060 -15.260 -4.510 100 HG2 ARG 13 2HG ARG 13 3.734 -17.524 -3.857 101 HG3 ARG 13 1HG ARG 13 2.727 -17.059 -2.466 102 HD2 ARG 13 2HD ARG 13 0.887 -16.479 -3.828 103 HD3 ARG 13 1HD ARG 13 1.895 -16.264 -5.257 104 HE ARG 13 HE ARG 13 1.292 -18.376 -5.819 105 HH11 ARG 13 1HH1 ARG 13 1.740 -18.404 -2.300 106 HH12 ARG 13 2HH1 ARG 13 1.510 -20.134 -2.190 107 HH21 ARG 13 1HH2 ARG 13 0.977 -20.594 -5.618 108 HH22 ARG 13 2HH2 ARG 13 1.063 -21.358 -4.047 109 H VAL 14 H VAL 14 4.249 -12.662 -2.226 110 HA VAL 14 HA VAL 14 6.534 -11.937 -3.850 111 HB VAL 14 HB VAL 14 4.763 -10.528 -4.099 112 HG11 VAL 14 1HG1 VAL 14 4.555 -10.058 -1.109 113 HG12 VAL 14 2HG1 VAL 14 3.535 -9.368 -2.410 114 HG13 VAL 14 3HG1 VAL 14 3.475 -11.102 -2.081 115 HG21 VAL 14 1HG2 VAL 14 5.474 -8.314 -3.346 116 HG22 VAL 14 2HG2 VAL 14 6.542 -9.034 -2.132 117 HG23 VAL 14 3HG2 VAL 14 6.880 -9.266 -3.872 118 H GLN 15 H GLN 15 6.149 -12.559 -0.399 119 HA GLN 15 HA GLN 15 8.649 -11.269 0.297 120 HB2 GLN 15 2HB GLN 15 7.067 -13.514 1.609 121 HB3 GLN 15 1HB GLN 15 8.552 -12.812 2.280 122 HG2 GLN 15 2HG GLN 15 7.476 -10.554 2.218 123 HG3 GLN 15 1HG GLN 15 5.958 -11.314 1.733 124 HE21 GLN 15 1HE2 GLN 15 5.821 -10.844 5.415 125 HE22 GLN 15 2HE2 GLN 15 5.820 -9.857 3.974 126 H LYS 16 H LYS 16 7.764 -14.422 -1.143 127 HA LYS 16 HA LYS 16 10.438 -15.526 -0.844 128 HB2 LYS 16 2HB LYS 16 8.047 -16.344 -2.549 129 HB3 LYS 16 1HB LYS 16 9.507 -17.303 -2.315 130 HG2 LYS 16 2HG LYS 16 7.453 -16.538 -0.212 131 HG3 LYS 16 1HG LYS 16 7.782 -18.154 -0.856 132 HD2 LYS 16 2HD LYS 16 10.043 -18.078 0.160 133 HD3 LYS 16 1HD LYS 16 9.692 -16.452 0.803 134 HE2 LYS 16 2HE LYS 16 7.790 -17.307 2.073 135 HE3 LYS 16 1HE LYS 16 8.055 -18.934 1.418 136 HZ1 LYS 16 1HZ LYS 16 10.196 -18.953 2.502 137 HZ2 LYS 16 2HZ LYS 16 9.947 -17.449 3.120 138 HZ3 LYS 16 3HZ LYS 16 9.003 -18.703 3.603 139 H GLY 17 H GLY 17 9.002 -13.232 -2.962 140 HA2 GLY 17 2HA GLY 17 10.582 -11.963 -4.305 141 HA3 GLY 17 3HA GLY 17 11.369 -13.488 -4.766 142 H ASP 18 H ASP 18 8.060 -14.109 -4.721 143 HA ASP 18 HA ASP 18 7.884 -13.938 -7.644 144 HB2 ASP 18 2HB ASP 18 6.230 -15.109 -5.400 145 HB3 ASP 18 1HB ASP 18 5.518 -14.858 -6.984 146 H GLN 19 H GLN 19 8.000 -11.674 -7.949 147 HA GLN 19 HA GLN 19 6.177 -9.849 -6.717 148 HB2 GLN 19 2HB GLN 19 8.410 -9.354 -7.795 149 HB3 GLN 19 1HB GLN 19 7.653 -9.614 -9.374 150 HG2 GLN 19 2HG GLN 19 6.075 -7.761 -8.927 151 HG3 GLN 19 1HG GLN 19 6.757 -7.553 -7.306 152 HE21 GLN 19 1HE2 GLN 19 8.394 -4.916 -9.218 153 HE22 GLN 19 2HE2 GLN 19 6.852 -5.277 -8.470 154 H LYS 20 H LYS 20 5.756 -12.262 -9.101 155 HA LYS 20 HA LYS 20 3.708 -11.037 -10.680 156 HB2 LYS 20 2HB LYS 20 3.246 -13.320 -11.436 157 HB3 LYS 20 1HB LYS 20 4.975 -12.971 -11.398 158 HG2 LYS 20 2HG LYS 20 5.009 -15.049 -10.467 159 HG3 LYS 20 1HG LYS 20 4.856 -14.090 -8.990 160 HD2 LYS 20 2HD LYS 20 2.351 -14.463 -9.094 161 HD3 LYS 20 1HD LYS 20 2.614 -15.500 -10.505 162 HE2 LYS 20 2HE LYS 20 3.732 -15.929 -7.701 163 HE3 LYS 20 1HE LYS 20 2.393 -16.816 -8.437 164 HZ1 LYS 20 1HZ LYS 20 3.961 -17.590 -10.124 165 HZ2 LYS 20 2HZ LYS 20 5.197 -16.842 -9.330 166 HZ3 LYS 20 3HZ LYS 20 4.382 -18.067 -8.611 167 H ALA 21 H ALA 21 3.684 -12.556 -7.478 168 HA ALA 21 HA ALA 21 0.771 -12.704 -7.396 169 HB1 ALA 21 1HB ALA 21 2.190 -14.226 -6.062 170 HB2 ALA 21 2HB ALA 21 2.845 -12.835 -5.167 171 HB3 ALA 21 3HB ALA 21 1.121 -13.250 -5.031 172 H PHE 22 H PHE 22 3.333 -10.434 -6.310 173 HA PHE 22 HA PHE 22 1.620 -8.609 -4.971 174 HB2 PHE 22 2HB PHE 22 4.041 -8.615 -4.774 175 HB3 PHE 22 1HB PHE 22 4.217 -8.145 -6.465 176 HD1 PHE 22 1HD PHE 22 4.431 -5.864 -6.979 177 HD2 PHE 22 2HD PHE 22 2.551 -7.018 -3.283 178 HE1 PHE 22 1HE PHE 22 4.306 -3.483 -6.291 179 HE2 PHE 22 2HE PHE 22 2.432 -4.642 -2.603 180 HZ PHE 22 HZ PHE 22 3.290 -2.872 -4.114 181 H ASN 23 H ASN 23 2.430 -9.061 -8.442 182 HA ASN 23 HA ASN 23 1.332 -6.601 -9.376 183 HB2 ASN 23 2HB ASN 23 2.770 -8.215 -10.684 184 HB3 ASN 23 1HB ASN 23 1.372 -9.289 -10.800 185 HD21 ASN 23 1HD2 ASN 23 0.895 -7.588 -13.898 186 HD22 ASN 23 2HD2 ASN 23 1.602 -9.010 -13.153 187 H LEU 24 H LEU 24 -0.104 -9.842 -8.830 188 HA LEU 24 HA LEU 24 -2.717 -9.049 -9.800 189 HB2 LEU 24 2HB LEU 24 -1.815 -11.421 -8.114 190 HB3 LEU 24 1HB LEU 24 -3.367 -11.294 -8.961 191 HG LEU 24 HG LEU 24 -0.651 -11.220 -10.346 192 HD11 LEU 24 1HD1 LEU 24 -1.028 -13.364 -9.241 193 HD12 LEU 24 2HD1 LEU 24 -2.634 -13.502 -10.002 194 HD13 LEU 24 3HD1 LEU 24 -1.169 -13.538 -11.008 195 HD21 LEU 24 1HD2 LEU 24 -2.416 -10.110 -11.619 196 HD22 LEU 24 2HD2 LEU 24 -1.981 -11.654 -12.377 197 HD23 LEU 24 3HD2 LEU 24 -3.479 -11.529 -11.423 198 H LEU 25 H LEU 25 -0.993 -8.821 -6.796 199 HA LEU 25 HA LEU 25 -3.382 -8.549 -5.139 200 HB2 LEU 25 2HB LEU 25 -1.199 -9.589 -4.415 201 HB3 LEU 25 1HB LEU 25 -0.453 -7.988 -4.521 202 HG LEU 25 HG LEU 25 -2.091 -7.167 -2.800 203 HD11 LEU 25 1HD1 LEU 25 -3.912 -8.799 -3.163 204 HD12 LEU 25 2HD1 LEU 25 -2.810 -10.128 -2.716 205 HD13 LEU 25 3HD1 LEU 25 -3.315 -8.933 -1.498 206 HD21 LEU 25 1HD2 LEU 25 -1.020 -8.372 -0.924 207 HD22 LEU 25 2HD2 LEU 25 -0.466 -9.633 -2.059 208 HD23 LEU 25 3HD2 LEU 25 0.169 -7.980 -2.186 209 H VAL 26 H VAL 26 -1.110 -6.459 -6.890 210 HA VAL 26 HA VAL 26 -1.825 -4.013 -5.516 211 HB VAL 26 HB VAL 26 -0.307 -4.712 -8.044 212 HG11 VAL 26 1HG1 VAL 26 -1.503 -2.624 -8.597 213 HG12 VAL 26 2HG1 VAL 26 -1.017 -1.921 -7.038 214 HG13 VAL 26 3HG1 VAL 26 0.206 -2.281 -8.281 215 HG21 VAL 26 1HG2 VAL 26 0.747 -4.913 -5.773 216 HG22 VAL 26 2HG2 VAL 26 1.540 -3.709 -6.818 217 HG23 VAL 26 3HG2 VAL 26 0.435 -3.187 -5.519 218 H VAL 27 H VAL 27 -2.687 -5.360 -8.762 219 HA VAL 27 HA VAL 27 -4.350 -3.168 -9.450 220 HB VAL 27 HB VAL 27 -3.383 -4.829 -11.013 221 HG11 VAL 27 1HG1 VAL 27 -4.488 -6.998 -11.337 222 HG12 VAL 27 2HG1 VAL 27 -3.857 -6.874 -9.683 223 HG13 VAL 27 3HG1 VAL 27 -5.597 -6.660 -9.990 224 HG21 VAL 27 1HG2 VAL 27 -5.261 -3.379 -11.713 225 HG22 VAL 27 2HG2 VAL 27 -5.307 -4.952 -12.525 226 HG23 VAL 27 3HG2 VAL 27 -6.420 -4.625 -11.184 227 H ARG 28 H ARG 28 -4.929 -5.915 -7.383 228 HA ARG 28 HA ARG 28 -7.814 -5.860 -7.434 229 HB2 ARG 28 2HB ARG 28 -6.572 -7.835 -6.787 230 HB3 ARG 28 1HB ARG 28 -5.704 -6.952 -5.524 231 HG2 ARG 28 2HG ARG 28 -7.704 -6.690 -4.201 232 HG3 ARG 28 1HG ARG 28 -8.720 -7.354 -5.503 233 HD2 ARG 28 2HD ARG 28 -6.460 -8.888 -4.141 234 HD3 ARG 28 1HD ARG 28 -8.167 -8.994 -3.657 235 HE ARG 28 HE ARG 28 -8.084 -9.509 -6.412 236 HH11 ARG 28 1HH1 ARG 28 -6.805 -10.970 -3.452 237 HH12 ARG 28 2HH1 ARG 28 -6.862 -12.594 -4.091 238 HH21 ARG 28 1HH2 ARG 28 -8.108 -11.633 -7.229 239 HH22 ARG 28 2HH2 ARG 28 -7.585 -12.968 -6.223 240 H TYR 29 H TYR 29 -5.348 -4.567 -5.152 241 HA TYR 29 HA TYR 29 -7.447 -3.091 -3.729 242 HB2 TYR 29 2HB TYR 29 -4.510 -3.573 -3.258 243 HB3 TYR 29 1HB TYR 29 -5.412 -2.374 -2.347 244 HD1 TYR 29 1HD TYR 29 -5.478 -6.019 -3.268 245 HD2 TYR 29 2HD TYR 29 -6.737 -2.964 -0.513 246 HE1 TYR 29 1HE TYR 29 -6.410 -7.757 -1.776 247 HE2 TYR 29 2HE TYR 29 -7.696 -4.692 0.977 248 HH TYR 29 HH TYR 29 -7.572 -8.180 0.179 249 H GLN 30 H GLN 30 -5.517 -2.505 -6.473 250 HA GLN 30 HA GLN 30 -4.827 0.211 -6.154 251 HB2 GLN 30 2HB GLN 30 -3.989 -1.210 -7.928 252 HB3 GLN 30 1HB GLN 30 -5.623 -1.440 -8.583 253 HG2 GLN 30 2HG GLN 30 -5.731 0.881 -9.252 254 HG3 GLN 30 1HG GLN 30 -4.181 1.236 -8.438 255 HE21 GLN 30 1HE2 GLN 30 -4.212 -0.974 -11.964 256 HE22 GLN 30 2HE2 GLN 30 -5.632 -0.936 -10.941 257 H HIS 31 H HIS 31 -7.949 -1.338 -6.668 258 HA HIS 31 HA HIS 31 -9.314 1.144 -7.415 259 HB2 HIS 31 2HB HIS 31 -10.093 -1.042 -8.189 260 HB3 HIS 31 1HB HIS 31 -10.328 -1.573 -6.520 261 HD2 HIS 31 2HD HIS 31 -11.701 1.146 -8.969 262 HE1 HIS 31 1HE HIS 31 -14.772 0.260 -6.163 263 HE2 HIS 31 2HE HIS 31 -14.181 1.589 -8.259 264 H LYS 32 H LYS 32 -8.660 -0.684 -4.412 265 HA LYS 32 HA LYS 32 -10.561 0.975 -2.910 266 HB2 LYS 32 2HB LYS 32 -8.656 -1.253 -2.068 267 HB3 LYS 32 1HB LYS 32 -9.798 -0.418 -0.998 268 HG2 LYS 32 2HG LYS 32 -11.119 -2.194 -1.594 269 HG3 LYS 32 1HG LYS 32 -11.565 -1.048 -2.867 270 HD2 LYS 32 2HD LYS 32 -9.527 -2.257 -4.151 271 HD3 LYS 32 1HD LYS 32 -9.905 -3.557 -3.005 272 HE2 LYS 32 2HE LYS 32 -12.338 -3.322 -3.747 273 HE3 LYS 32 1HE LYS 32 -11.756 -2.203 -4.996 274 HZ1 LYS 32 1HZ LYS 32 -10.985 -5.026 -4.692 275 HZ2 LYS 32 2HZ LYS 32 -11.934 -4.392 -5.878 276 HZ3 LYS 32 3HZ LYS 32 -10.335 -4.005 -5.799 277 H VAL 33 H VAL 33 -7.030 0.642 -3.248 278 HA VAL 33 HA VAL 33 -6.389 2.401 -1.080 279 HB VAL 33 HB VAL 33 -4.956 0.596 -2.203 280 HG11 VAL 33 1HG1 VAL 33 -4.366 2.871 -4.140 281 HG12 VAL 33 2HG1 VAL 33 -3.581 1.282 -4.094 282 HG13 VAL 33 3HG1 VAL 33 -5.307 1.416 -4.544 283 HG21 VAL 33 1HG2 VAL 33 -4.043 2.177 -0.548 284 HG22 VAL 33 2HG2 VAL 33 -2.858 1.804 -1.816 285 HG23 VAL 33 3HG2 VAL 33 -3.724 3.351 -1.859 286 H ALA 34 H ALA 34 -7.192 2.840 -4.495 287 HA ALA 34 HA ALA 34 -6.239 5.580 -4.625 288 HB1 ALA 34 1HB ALA 34 -6.368 4.096 -6.605 289 HB2 ALA 34 2HB ALA 34 -8.139 4.015 -6.421 290 HB3 ALA 34 3HB ALA 34 -7.357 5.556 -6.825 291 H SER 35 H SER 35 -9.271 3.957 -3.718 292 HA SER 35 HA SER 35 -10.930 6.300 -3.886 293 HB2 SER 35 2HB SER 35 -11.797 3.988 -3.807 294 HB3 SER 35 1HB SER 35 -11.161 3.803 -2.159 295 HG SER 35 HG SER 35 -13.387 4.413 -2.211 296 H LEU 36 H LEU 36 -8.638 5.036 -1.505 297 HA LEU 36 HA LEU 36 -9.548 6.719 0.663 298 HB2 LEU 36 2HB LEU 36 -8.247 4.555 0.877 299 HB3 LEU 36 1HB LEU 36 -6.836 5.404 0.244 300 HG LEU 36 HG LEU 36 -7.040 7.072 2.132 301 HD11 LEU 36 1HD1 LEU 36 -9.059 5.036 3.176 302 HD12 LEU 36 2HD1 LEU 36 -8.365 6.377 4.110 303 HD13 LEU 36 3HD1 LEU 36 -9.414 6.719 2.721 304 HD21 LEU 36 1HD2 LEU 36 -6.118 5.500 3.817 305 HD22 LEU 36 2HD2 LEU 36 -6.696 4.135 2.824 306 HD23 LEU 36 3HD2 LEU 36 -5.444 5.230 2.193 307 H VAL 37 H VAL 37 -6.819 6.926 -1.695 308 HA VAL 37 HA VAL 37 -5.929 9.385 -0.413 309 HB VAL 37 HB VAL 37 -4.302 7.768 -1.087 310 HG11 VAL 37 1HG1 VAL 37 -3.798 7.321 -3.453 311 HG12 VAL 37 2HG1 VAL 37 -5.431 6.746 -3.011 312 HG13 VAL 37 3HG1 VAL 37 -5.237 8.249 -3.935 313 HG21 VAL 37 1HG2 VAL 37 -3.847 10.274 -1.248 314 HG22 VAL 37 2HG2 VAL 37 -2.755 9.209 -2.172 315 HG23 VAL 37 3HG2 VAL 37 -4.044 10.108 -3.005 316 H SER 38 H SER 38 -8.013 8.631 -3.134 317 HA SER 38 HA SER 38 -7.670 11.055 -4.603 318 HB2 SER 38 2HB SER 38 -9.903 10.596 -5.475 319 HB3 SER 38 1HB SER 38 -8.951 9.099 -5.415 320 HG SER 38 HG SER 38 -11.066 8.841 -4.559 321 H ARG 39 H ARG 39 -8.971 10.444 -1.447 322 HA ARG 39 HA ARG 39 -10.696 12.753 -1.283 323 HB2 ARG 39 2HB ARG 39 -9.405 11.095 0.911 324 HB3 ARG 39 1HB ARG 39 -10.840 12.132 1.055 325 HG2 ARG 39 2HG ARG 39 -12.050 10.655 -0.539 326 HG3 ARG 39 1HG ARG 39 -10.596 9.642 -0.688 327 HD2 ARG 39 2HD ARG 39 -10.688 9.245 1.793 328 HD3 ARG 39 1HD ARG 39 -12.262 10.068 1.809 329 HE ARG 39 HE ARG 39 -12.062 7.921 -0.162 330 HH11 ARG 39 1HH1 ARG 39 -12.754 8.622 3.233 331 HH12 ARG 39 2HH1 ARG 39 -13.732 7.189 3.450 332 HH21 ARG 39 1HH2 ARG 39 -13.309 6.056 0.149 333 HH22 ARG 39 2HH2 ARG 39 -14.034 5.727 1.705 334 H TYR 40 H TYR 40 -7.282 12.417 -1.301 335 HA TYR 40 HA TYR 40 -6.979 14.933 0.285 336 HB2 TYR 40 2HB TYR 40 -5.088 12.571 0.088 337 HB3 TYR 40 1HB TYR 40 -4.803 14.054 1.007 338 HD1 TYR 40 1HD TYR 40 -5.901 10.720 1.256 339 HD2 TYR 40 2HD TYR 40 -6.781 14.668 2.715 340 HE1 TYR 40 1HE TYR 40 -7.075 9.730 3.196 341 HE2 TYR 40 2HE TYR 40 -7.953 13.683 4.674 342 HH TYR 40 HH TYR 40 -8.241 10.140 5.133 343 H VAL 41 H VAL 41 -6.271 13.283 -2.726 344 HA VAL 41 HA VAL 41 -4.831 15.739 -3.605 345 HB VAL 41 HB VAL 41 -3.265 14.497 -4.891 346 HG11 VAL 41 1HG1 VAL 41 -3.427 13.213 -2.134 347 HG12 VAL 41 2HG1 VAL 41 -1.987 13.344 -3.162 348 HG13 VAL 41 3HG1 VAL 41 -2.723 14.810 -2.482 349 HG21 VAL 41 1HG2 VAL 41 -4.610 12.641 -5.644 350 HG22 VAL 41 2HG2 VAL 41 -3.148 12.035 -4.844 351 HG23 VAL 41 3HG2 VAL 41 -4.706 11.989 -3.982 352 HA PRO 42 HA PRO 42 -7.857 15.845 -6.756 353 HB2 PRO 42 2HB PRO 42 -6.479 16.923 -8.883 354 HB3 PRO 42 1HB PRO 42 -6.963 17.854 -7.431 355 HG2 PRO 42 2HG PRO 42 -4.290 16.510 -7.974 356 HG3 PRO 42 1HG PRO 42 -4.590 18.207 -7.446 357 HD2 PRO 42 2HD PRO 42 -3.955 16.299 -5.655 358 HD3 PRO 42 1HD PRO 42 -5.238 17.482 -5.271 359 H SER 43 H SER 43 -8.564 14.782 -8.687 360 HA SER 43 HA SER 43 -7.587 12.138 -8.943 361 HB2 SER 43 2HB SER 43 -9.247 11.985 -10.777 362 HB3 SER 43 1HB SER 43 -9.921 12.764 -9.327 363 HG SER 43 HG SER 43 -10.419 13.901 -11.251 364 H GLY 44 H GLY 44 -6.401 15.037 -10.368 365 HA2 GLY 44 2HA GLY 44 -5.414 13.823 -12.830 366 HA3 GLY 44 3HA GLY 44 -5.042 15.439 -12.183 367 H ASP 45 H ASP 45 -4.354 13.933 -9.508 368 HA ASP 45 HA ASP 45 -1.634 13.030 -10.345 369 HB2 ASP 45 2HB ASP 45 -2.458 14.726 -7.958 370 HB3 ASP 45 1HB ASP 45 -0.852 14.035 -8.190 371 H VAL 46 H VAL 46 -4.543 12.056 -8.966 372 HA VAL 46 HA VAL 46 -3.543 10.744 -6.652 373 HB VAL 46 HB VAL 46 -5.904 11.419 -7.038 374 HG11 VAL 46 1HG1 VAL 46 -6.081 8.842 -8.649 375 HG12 VAL 46 2HG1 VAL 46 -7.428 9.864 -8.106 376 HG13 VAL 46 3HG1 VAL 46 -6.273 10.487 -9.308 377 HG21 VAL 46 1HG2 VAL 46 -6.821 9.495 -5.845 378 HG22 VAL 46 2HG2 VAL 46 -5.402 8.519 -6.295 379 HG23 VAL 46 3HG2 VAL 46 -5.207 9.939 -5.226 380 HA PRO 47 HA PRO 47 -3.274 6.717 -9.170 381 HB2 PRO 47 2HB PRO 47 -2.436 6.793 -11.760 382 HB3 PRO 47 1HB PRO 47 -4.171 6.944 -11.316 383 HG2 PRO 47 2HG PRO 47 -2.199 9.191 -11.866 384 HG3 PRO 47 1HG PRO 47 -3.814 8.949 -12.600 385 HD2 PRO 47 2HD PRO 47 -3.497 10.583 -10.494 386 HD3 PRO 47 1HD PRO 47 -4.920 9.501 -10.582 387 H ASP 48 H ASP 48 -1.221 9.546 -9.509 388 HA ASP 48 HA ASP 48 1.248 8.003 -9.760 389 HB2 ASP 48 2HB ASP 48 0.940 10.253 -10.765 390 HB3 ASP 48 1HB ASP 48 0.796 10.938 -9.135 391 H VAL 49 H VAL 49 -0.696 9.461 -7.160 392 HA VAL 49 HA VAL 49 1.375 9.034 -5.149 393 HB VAL 49 HB VAL 49 -1.598 9.605 -4.834 394 HG11 VAL 49 1HG1 VAL 49 0.732 9.857 -2.899 395 HG12 VAL 49 2HG1 VAL 49 -0.934 10.389 -2.583 396 HG13 VAL 49 3HG1 VAL 49 -0.594 8.661 -2.810 397 HG21 VAL 49 1HG2 VAL 49 -0.887 11.943 -4.423 398 HG22 VAL 49 2HG2 VAL 49 0.796 11.500 -4.771 399 HG23 VAL 49 3HG2 VAL 49 -0.430 11.438 -6.059 400 H VAL 50 H VAL 50 -1.335 7.236 -6.538 401 HA VAL 50 HA VAL 50 -1.505 5.235 -4.476 402 HB VAL 50 HB VAL 50 -2.348 5.400 -7.383 403 HG11 VAL 50 1HG1 VAL 50 -1.861 3.043 -7.050 404 HG12 VAL 50 2HG1 VAL 50 -2.662 3.060 -5.465 405 HG13 VAL 50 3HG1 VAL 50 -3.618 3.262 -6.958 406 HG21 VAL 50 1HG2 VAL 50 -3.911 5.154 -4.775 407 HG22 VAL 50 2HG2 VAL 50 -3.590 6.685 -5.612 408 HG23 VAL 50 3HG2 VAL 50 -4.579 5.439 -6.401 409 H GLN 51 H GLN 51 0.410 5.542 -7.514 410 HA GLN 51 HA GLN 51 1.555 2.904 -7.244 411 HB2 GLN 51 2HB GLN 51 1.311 4.123 -9.393 412 HB3 GLN 51 1HB GLN 51 2.461 5.352 -8.827 413 HG2 GLN 51 2HG GLN 51 4.221 3.632 -8.624 414 HG3 GLN 51 1HG GLN 51 3.074 2.383 -9.127 415 HE21 GLN 51 1HE2 GLN 51 4.963 3.115 -12.175 416 HE22 GLN 51 2HE2 GLN 51 5.177 2.299 -10.641 417 H GLU 52 H GLU 52 2.389 6.184 -6.110 418 HA GLU 52 HA GLU 52 5.058 5.564 -5.280 419 HB2 GLU 52 2HB GLU 52 4.073 7.852 -5.585 420 HB3 GLU 52 1HB GLU 52 3.065 7.583 -4.160 421 HG2 GLU 52 2HG GLU 52 5.049 8.898 -3.581 422 HG3 GLU 52 1HG GLU 52 5.077 7.331 -2.759 423 H ALA 53 H ALA 53 1.852 5.034 -3.853 424 HA ALA 53 HA ALA 53 2.916 4.298 -1.244 425 HB1 ALA 53 1HB ALA 53 0.566 3.709 -0.786 426 HB2 ALA 53 2HB ALA 53 0.698 5.332 -1.510 427 HB3 ALA 53 3HB ALA 53 0.166 3.953 -2.501 428 H PHE 54 H PHE 54 2.113 2.607 -4.280 429 HA PHE 54 HA PHE 54 2.151 -0.011 -3.013 430 HB2 PHE 54 2HB PHE 54 1.973 1.052 -5.821 431 HB3 PHE 54 1HB PHE 54 2.362 -0.640 -5.564 432 HD1 PHE 54 1HD PHE 54 -0.238 1.245 -6.508 433 HD2 PHE 54 2HD PHE 54 0.717 -1.550 -3.377 434 HE1 PHE 54 1HE PHE 54 -2.630 0.646 -6.314 435 HE2 PHE 54 2HE PHE 54 -1.694 -2.120 -3.164 436 HZ PHE 54 HZ PHE 54 -3.357 -1.041 -4.636 437 H ILE 55 H ILE 55 4.567 2.013 -4.796 438 HA ILE 55 HA ILE 55 6.554 -0.069 -4.833 439 HB ILE 55 HB ILE 55 6.473 2.916 -5.154 440 HG12 ILE 55 2HG1 ILE 55 7.383 2.445 -7.296 441 HG13 ILE 55 1HG1 ILE 55 7.881 0.805 -6.821 442 HG21 ILE 55 1HG2 ILE 55 9.021 1.294 -4.801 443 HG22 ILE 55 2HG2 ILE 55 8.941 2.950 -5.442 444 HG23 ILE 55 3HG2 ILE 55 8.469 2.638 -3.761 445 HD11 ILE 55 1HD1 ILE 55 5.013 1.751 -7.188 446 HD12 ILE 55 2HD1 ILE 55 5.953 0.766 -8.327 447 HD13 ILE 55 3HD1 ILE 55 5.524 0.102 -6.734 448 H LYS 56 H LYS 56 5.679 2.472 -2.419 449 HA LYS 56 HA LYS 56 7.734 1.754 -0.552 450 HB2 LYS 56 2HB LYS 56 5.028 3.120 -0.378 451 HB3 LYS 56 1HB LYS 56 6.033 2.837 1.065 452 HG2 LYS 56 2HG LYS 56 7.854 4.083 0.135 453 HG3 LYS 56 1HG LYS 56 7.056 4.234 -1.444 454 HD2 LYS 56 2HD LYS 56 5.414 5.725 -0.613 455 HD3 LYS 56 1HD LYS 56 5.737 5.294 1.073 456 HE2 LYS 56 2HE LYS 56 6.670 7.522 0.450 457 HE3 LYS 56 1HE LYS 56 7.884 6.367 1.044 458 HZ1 LYS 56 1HZ LYS 56 8.532 5.947 -1.206 459 HZ2 LYS 56 2HZ LYS 56 7.377 6.939 -1.803 460 HZ3 LYS 56 3HZ LYS 56 8.620 7.560 -0.922 461 H ALA 57 H ALA 57 4.514 0.399 -1.276 462 HA ALA 57 HA ALA 57 4.475 -1.239 1.104 463 HB1 ALA 57 1HB ALA 57 2.553 -2.323 0.005 464 HB2 ALA 57 2HB ALA 57 2.413 -0.552 -0.075 465 HB3 ALA 57 3HB ALA 57 2.922 -1.475 -1.509 466 H TYR 58 H TYR 58 5.833 -1.594 -2.175 467 HA TYR 58 HA TYR 58 6.186 -4.459 -1.947 468 HB2 TYR 58 2HB TYR 58 6.021 -3.416 -4.116 469 HB3 TYR 58 1HB TYR 58 7.357 -2.322 -3.753 470 HD1 TYR 58 1HD TYR 58 6.534 -5.948 -4.197 471 HD2 TYR 58 2HD TYR 58 9.569 -2.900 -4.275 472 HE1 TYR 58 1HE TYR 58 8.147 -7.584 -5.143 473 HE2 TYR 58 2HE TYR 58 11.183 -4.523 -5.228 474 HH TYR 58 HH TYR 58 10.287 -7.925 -5.901 475 H ARG 59 H ARG 59 8.329 -1.599 -1.593 476 HA ARG 59 HA ARG 59 10.661 -3.132 -0.900 477 HB2 ARG 59 2HB ARG 59 9.944 -0.222 -0.426 478 HB3 ARG 59 1HB ARG 59 11.566 -0.907 -0.244 479 HG2 ARG 59 2HG ARG 59 9.939 -0.849 -2.828 480 HG3 ARG 59 1HG ARG 59 11.263 0.249 -2.422 481 HD2 ARG 59 2HD ARG 59 11.487 -2.770 -2.720 482 HD3 ARG 59 1HD ARG 59 11.985 -1.565 -3.919 483 HE ARG 59 HE ARG 59 13.369 -0.817 -1.658 484 HH11 ARG 59 1HH1 ARG 59 13.102 -3.816 -3.501 485 HH12 ARG 59 2HH1 ARG 59 14.720 -4.353 -3.091 486 HH21 ARG 59 1HH2 ARG 59 15.475 -1.531 -1.146 487 HH22 ARG 59 2HH2 ARG 59 16.054 -3.058 -1.764 488 H ALA 60 H ALA 60 7.838 -2.297 0.891 489 HA ALA 60 HA ALA 60 9.268 -2.950 3.421 490 HB1 ALA 60 1HB ALA 60 6.607 -1.540 3.005 491 HB2 ALA 60 2HB ALA 60 7.406 -1.841 4.567 492 HB3 ALA 60 3HB ALA 60 8.155 -0.748 3.384 493 H LEU 61 H LEU 61 7.405 -4.450 1.036 494 HA LEU 61 HA LEU 61 5.595 -5.919 2.717 495 HB2 LEU 61 2HB LEU 61 6.238 -5.715 -0.103 496 HB3 LEU 61 1HB LEU 61 6.216 -7.415 0.355 497 HG LEU 61 HG LEU 61 3.977 -5.436 0.973 498 HD11 LEU 61 1HD1 LEU 61 4.218 -5.875 -1.429 499 HD12 LEU 61 2HD1 LEU 61 4.194 -7.628 -1.124 500 HD13 LEU 61 3HD1 LEU 61 2.748 -6.644 -0.780 501 HD21 LEU 61 1HD2 LEU 61 4.060 -7.269 2.587 502 HD22 LEU 61 2HD2 LEU 61 2.705 -7.516 1.475 503 HD23 LEU 61 3HD2 LEU 61 4.212 -8.450 1.263 504 H ASP 62 H ASP 62 8.961 -6.354 1.743 505 HA ASP 62 HA ASP 62 9.123 -9.037 2.838 506 HB2 ASP 62 2HB ASP 62 10.604 -8.166 1.032 507 HB3 ASP 62 1HB ASP 62 11.312 -7.024 2.180 508 H SER 63 H SER 63 8.628 -6.104 4.311 509 HA SER 63 HA SER 63 9.909 -7.029 6.840 510 HB2 SER 63 2HB SER 63 10.834 -4.906 5.887 511 HB3 SER 63 1HB SER 63 9.218 -4.183 6.013 512 HG SER 63 HG SER 63 10.824 -5.200 8.127 513 H PHE 64 H PHE 64 7.005 -6.560 5.143 514 HA PHE 64 HA PHE 64 5.213 -5.879 7.270 515 HB2 PHE 64 2HB PHE 64 4.582 -5.645 4.925 516 HB3 PHE 64 1HB PHE 64 4.911 -7.347 4.632 517 HD1 PHE 64 1HD PHE 64 3.158 -8.852 4.624 518 HD2 PHE 64 2HD PHE 64 2.740 -5.182 6.812 519 HE1 PHE 64 1HE PHE 64 0.790 -9.425 5.130 520 HE2 PHE 64 2HE PHE 64 0.375 -5.754 7.321 521 HZ PHE 64 HZ PHE 64 -0.593 -7.881 6.484 522 H ASP 65 H ASP 65 4.037 -7.180 8.660 523 HA ASP 65 HA ASP 65 4.969 -9.972 8.954 524 HB2 ASP 65 2HB ASP 65 4.944 -8.629 10.970 525 HB3 ASP 65 1HB ASP 65 3.263 -8.144 10.683 526 H ILE 66 H ILE 66 3.916 -11.476 7.815 527 HA ILE 66 HA ILE 66 1.455 -11.006 6.485 528 HB ILE 66 HB ILE 66 3.039 -12.603 5.644 529 HG12 ILE 66 2HG1 ILE 66 1.629 -14.636 5.387 530 HG13 ILE 66 1HG1 ILE 66 0.563 -14.073 6.666 531 HG21 ILE 66 1HG2 ILE 66 2.646 -14.134 8.241 532 HG22 ILE 66 2HG2 ILE 66 3.577 -14.694 6.825 533 HG23 ILE 66 3HG2 ILE 66 4.116 -13.268 7.722 534 HD11 ILE 66 1HD1 ILE 66 1.195 -12.558 4.096 535 HD12 ILE 66 2HD1 ILE 66 -0.288 -13.492 4.397 536 HD13 ILE 66 3HD1 ILE 66 0.034 -12.032 5.351 537 H ASN 67 H ASN 67 2.133 -11.924 9.768 538 HA ASN 67 HA ASN 67 -0.383 -13.322 10.144 539 HB2 ASN 67 2HB ASN 67 1.686 -12.410 12.171 540 HB3 ASN 67 1HB ASN 67 0.351 -13.564 12.425 541 HD21 ASN 67 1HD2 ASN 67 3.736 -14.744 10.424 542 HD22 ASN 67 2HD2 ASN 67 3.484 -13.059 10.858 543 H ARG 68 H ARG 68 0.252 -10.182 9.665 544 HA ARG 68 HA ARG 68 -2.023 -9.227 11.358 545 HB2 ARG 68 2HB ARG 68 0.536 -7.910 10.462 546 HB3 ARG 68 1HB ARG 68 -0.902 -6.942 10.866 547 HG2 ARG 68 2HG ARG 68 -1.018 -7.930 13.081 548 HG3 ARG 68 1HG ARG 68 0.349 -9.012 12.722 549 HD2 ARG 68 2HD ARG 68 1.879 -7.150 12.569 550 HD3 ARG 68 1HD ARG 68 0.547 -5.983 12.584 551 HE ARG 68 HE ARG 68 0.472 -6.084 14.874 552 HH11 ARG 68 1HH1 ARG 68 2.304 -8.918 13.736 553 HH12 ARG 68 2HH1 ARG 68 2.776 -9.371 15.352 554 HH21 ARG 68 1HH2 ARG 68 1.123 -6.729 16.947 555 HH22 ARG 68 2HH2 ARG 68 2.113 -8.150 17.153 556 H LYS 69 H LYS 69 -3.112 -7.249 10.227 557 HA LYS 69 HA LYS 69 -4.360 -8.369 7.933 558 HB2 LYS 69 2HB LYS 69 -5.269 -6.684 9.705 559 HB3 LYS 69 1HB LYS 69 -4.482 -5.449 8.717 560 HG2 LYS 69 2HG LYS 69 -6.691 -5.520 7.902 561 HG3 LYS 69 1HG LYS 69 -5.794 -6.488 6.716 562 HD2 LYS 69 2HD LYS 69 -6.559 -8.562 7.805 563 HD3 LYS 69 1HD LYS 69 -7.288 -7.619 9.122 564 HE2 LYS 69 2HE LYS 69 -8.733 -6.469 7.400 565 HE3 LYS 69 1HE LYS 69 -8.127 -7.627 6.205 566 HZ1 LYS 69 1HZ LYS 69 -9.010 -9.393 7.593 567 HZ2 LYS 69 2HZ LYS 69 -9.551 -8.297 8.699 568 HZ3 LYS 69 3HZ LYS 69 -10.204 -8.335 7.193 569 H PHE 70 H PHE 70 -3.959 -8.198 5.808 570 HA PHE 70 HA PHE 70 -1.639 -6.776 4.815 571 HB2 PHE 70 2HB PHE 70 -2.760 -7.542 2.581 572 HB3 PHE 70 1HB PHE 70 -2.062 -8.735 3.673 573 HD1 PHE 70 1HD PHE 70 -5.303 -7.253 2.551 574 HD2 PHE 70 2HD PHE 70 -3.333 -10.438 4.667 575 HE1 PHE 70 1HE PHE 70 -7.451 -8.471 2.726 576 HE2 PHE 70 2HE PHE 70 -5.484 -11.666 4.817 577 HZ PHE 70 HZ PHE 70 -7.548 -10.676 3.856 578 H SER 71 H SER 71 -5.157 -6.123 4.858 579 HA SER 71 HA SER 71 -4.869 -3.970 2.917 580 HB2 SER 71 2HB SER 71 -7.304 -3.707 3.299 581 HB3 SER 71 1HB SER 71 -6.809 -5.351 2.854 582 HG SER 71 HG SER 71 -8.271 -5.293 4.646 583 H THR 72 H THR 72 -5.484 -4.133 6.470 584 HA THR 72 HA THR 72 -5.913 -1.334 6.788 585 HB THR 72 HB THR 72 -4.799 -3.435 8.676 586 HG1 THR 72 1HG THR 72 -6.914 -3.704 9.227 587 HG21 THR 72 1HG2 THR 72 -5.632 -1.952 10.483 588 HG22 THR 72 2HG2 THR 72 -4.330 -1.189 9.555 589 HG23 THR 72 3HG2 THR 72 -6.018 -0.701 9.278 590 H TRP 73 H TRP 73 -2.971 -3.310 6.609 591 HA TRP 73 HA TRP 73 -1.185 -1.126 7.353 592 HB2 TRP 73 2HB TRP 73 -0.562 -3.368 7.873 593 HB3 TRP 73 1HB TRP 73 -0.876 -3.907 6.228 594 HD1 TRP 73 HD TRP 73 1.790 -2.189 8.324 595 HE1 TRP 73 1HE TRP 73 4.016 -2.235 7.053 596 HE3 TRP 73 3HE TRP 73 0.071 -3.782 3.791 597 HZ2 TRP 73 2HZ TRP 73 4.944 -2.999 4.403 598 HZ3 TRP 73 3HZ TRP 73 1.629 -4.112 1.906 599 HH2 TRP 73 HH TRP 73 4.065 -3.736 2.209 600 H LEU 74 H LEU 74 -2.670 -2.377 4.389 601 HA LEU 74 HA LEU 74 -0.827 -1.010 2.605 602 HB2 LEU 74 2HB LEU 74 -2.068 -2.990 1.863 603 HB3 LEU 74 1HB LEU 74 -3.602 -2.189 2.211 604 HG LEU 74 HG LEU 74 -3.226 -0.539 0.465 605 HD11 LEU 74 1HD1 LEU 74 -0.597 -1.993 -0.059 606 HD12 LEU 74 2HD1 LEU 74 -1.307 -0.737 -1.097 607 HD13 LEU 74 3HD1 LEU 74 -0.772 -0.322 0.538 608 HD21 LEU 74 1HD2 LEU 74 -2.662 -3.373 -0.493 609 HD22 LEU 74 2HD2 LEU 74 -4.260 -2.698 -0.109 610 HD23 LEU 74 3HD2 LEU 74 -3.323 -2.046 -1.477 611 H TYR 75 H TYR 75 -4.039 -0.311 4.036 612 HA TYR 75 HA TYR 75 -4.446 2.087 2.485 613 HB2 TYR 75 2HB TYR 75 -5.709 1.114 5.073 614 HB3 TYR 75 1HB TYR 75 -6.301 2.457 4.092 615 HD1 TYR 75 1HD TYR 75 -7.440 -0.438 4.976 616 HD2 TYR 75 2HD TYR 75 -5.972 1.287 1.317 617 HE1 TYR 75 1HE TYR 75 -8.874 -1.986 3.680 618 HE2 TYR 75 2HE TYR 75 -7.388 -0.274 0.013 619 HH TYR 75 HH TYR 75 -9.532 -2.664 1.598 620 H ARG 76 H ARG 76 -2.879 1.388 5.618 621 HA ARG 76 HA ARG 76 -2.798 4.127 6.484 622 HB2 ARG 76 2HB ARG 76 -2.538 2.262 8.034 623 HB3 ARG 76 1HB ARG 76 -1.125 1.667 7.151 624 HG2 ARG 76 2HG ARG 76 -0.504 2.880 9.230 625 HG3 ARG 76 1HG ARG 76 0.187 3.603 7.772 626 HD2 ARG 76 2HD ARG 76 -0.641 5.356 9.221 627 HD3 ARG 76 1HD ARG 76 -1.655 5.286 7.766 628 HE ARG 76 HE ARG 76 -2.750 3.673 9.897 629 HH11 ARG 76 1HH1 ARG 76 -2.416 7.001 8.759 630 HH12 ARG 76 2HH1 ARG 76 -3.851 7.555 9.597 631 HH21 ARG 76 1HH2 ARG 76 -4.610 4.420 10.977 632 HH22 ARG 76 2HH2 ARG 76 -5.093 6.096 10.841 633 H ILE 77 H ILE 77 -0.757 2.128 4.375 634 HA ILE 77 HA ILE 77 1.444 4.016 4.321 635 HB ILE 77 HB ILE 77 0.622 1.635 2.620 636 HG12 ILE 77 2HG1 ILE 77 2.880 2.180 4.589 637 HG13 ILE 77 1HG1 ILE 77 1.415 1.278 4.963 638 HG21 ILE 77 1HG2 ILE 77 3.130 3.349 2.359 639 HG22 ILE 77 2HG2 ILE 77 2.827 1.810 1.516 640 HG23 ILE 77 3HG2 ILE 77 1.822 3.214 1.157 641 HD11 ILE 77 1HD1 ILE 77 3.545 0.448 2.948 642 HD12 ILE 77 2HD1 ILE 77 3.216 -0.293 4.522 643 HD13 ILE 77 3HD1 ILE 77 2.008 -0.411 3.224 644 H ALA 78 H ALA 78 -1.572 3.571 2.478 645 HA ALA 78 HA ALA 78 -0.702 5.250 0.302 646 HB1 ALA 78 1HB ALA 78 -2.329 3.449 0.061 647 HB2 ALA 78 2HB ALA 78 -3.467 4.302 1.131 648 HB3 ALA 78 3HB ALA 78 -3.034 5.009 -0.447 649 H VAL 79 H VAL 79 -2.546 5.823 3.324 650 HA VAL 79 HA VAL 79 -3.165 8.548 2.475 651 HB VAL 79 HB VAL 79 -4.717 7.334 3.889 652 HG11 VAL 79 1HG1 VAL 79 -3.090 5.986 5.170 653 HG12 VAL 79 2HG1 VAL 79 -2.575 7.450 6.044 654 HG13 VAL 79 3HG1 VAL 79 -4.241 6.840 6.220 655 HG21 VAL 79 1HG2 VAL 79 -4.575 9.813 4.003 656 HG22 VAL 79 2HG2 VAL 79 -5.114 9.098 5.537 657 HG23 VAL 79 3HG2 VAL 79 -3.440 9.673 5.364 658 H ASN 80 H ASN 80 -0.674 6.921 4.482 659 HA ASN 80 HA ASN 80 0.428 9.426 5.413 660 HB2 ASN 80 2HB ASN 80 1.545 6.603 5.228 661 HB3 ASN 80 1HB ASN 80 2.451 7.961 5.902 662 HD21 ASN 80 1HD2 ASN 80 1.036 6.452 8.878 663 HD22 ASN 80 2HD2 ASN 80 2.319 6.204 7.705 664 H THR 81 H THR 81 0.787 7.494 2.466 665 HA THR 81 HA THR 81 3.071 9.008 1.490 666 HB THR 81 HB THR 81 1.034 7.199 0.135 667 HG1 THR 81 1HG THR 81 2.405 6.118 1.478 668 HG21 THR 81 1HG2 THR 81 1.882 8.697 -1.571 669 HG22 THR 81 2HG2 THR 81 3.556 8.485 -0.984 670 HG23 THR 81 3HG2 THR 81 2.686 7.133 -1.744 671 H ALA 82 H ALA 82 -0.434 9.419 1.568 672 HA ALA 82 HA ALA 82 -0.582 11.316 -0.588 673 HB1 ALA 82 1HB ALA 82 -2.485 9.952 0.337 674 HB2 ALA 82 2HB ALA 82 -2.427 10.955 1.807 675 HB3 ALA 82 3HB ALA 82 -2.826 11.701 0.243 676 H LYS 83 H LYS 83 -0.371 11.656 3.020 677 HA LYS 83 HA LYS 83 -0.458 14.520 2.968 678 HB2 LYS 83 2HB LYS 83 0.466 12.422 4.955 679 HB3 LYS 83 1HB LYS 83 0.763 14.148 5.234 680 HG2 LYS 83 2HG LYS 83 -1.208 13.620 6.372 681 HG3 LYS 83 1HG LYS 83 -1.701 14.558 4.940 682 HD2 LYS 83 2HD LYS 83 -2.326 12.434 3.800 683 HD3 LYS 83 1HD LYS 83 -1.775 11.533 5.238 684 HE2 LYS 83 2HE LYS 83 -4.146 11.733 5.326 685 HE3 LYS 83 1HE LYS 83 -3.447 12.735 6.613 686 HZ1 LYS 83 1HZ LYS 83 -5.192 13.900 5.459 687 HZ2 LYS 83 2HZ LYS 83 -3.754 14.649 5.189 688 HZ3 LYS 83 3HZ LYS 83 -4.429 13.718 4.013 689 H ASN 84 H ASN 84 2.201 12.135 2.783 690 HA ASN 84 HA ASN 84 4.288 14.111 2.973 691 HB2 ASN 84 2HB ASN 84 4.238 11.291 1.820 692 HB3 ASN 84 1HB ASN 84 5.701 12.265 2.005 693 HD21 ASN 84 1HD2 ASN 84 5.675 10.113 4.976 694 HD22 ASN 84 2HD2 ASN 84 5.895 9.959 3.245 695 H TYR 85 H TYR 85 2.245 13.004 0.287 696 HA TYR 85 HA TYR 85 3.977 14.161 -1.751 697 HB2 TYR 85 2HB TYR 85 2.479 12.333 -2.282 698 HB3 TYR 85 1HB TYR 85 1.081 13.259 -1.747 699 HD1 TYR 85 1HD TYR 85 3.839 13.255 -4.295 700 HD2 TYR 85 2HD TYR 85 -0.076 14.676 -3.223 701 HE1 TYR 85 1HE TYR 85 3.548 14.163 -6.583 702 HE2 TYR 85 2HE TYR 85 -0.370 15.602 -5.507 703 HH TYR 85 HH TYR 85 2.162 15.293 -8.021 704 H LEU 86 H LEU 86 1.194 15.213 0.216 705 HA LEU 86 HA LEU 86 0.795 17.718 -1.148 706 HB2 LEU 86 2HB LEU 86 0.200 16.751 1.671 707 HB3 LEU 86 1HB LEU 86 -0.348 18.312 1.056 708 HG LEU 86 HG LEU 86 -1.096 15.597 -0.126 709 HD11 LEU 86 1HD1 LEU 86 -2.123 16.050 2.080 710 HD12 LEU 86 2HD1 LEU 86 -2.716 17.616 1.480 711 HD13 LEU 86 3HD1 LEU 86 -3.332 16.101 0.780 712 HD21 LEU 86 1HD2 LEU 86 -2.744 16.901 -1.441 713 HD22 LEU 86 2HD2 LEU 86 -2.020 18.411 -0.827 714 HD23 LEU 86 3HD2 LEU 86 -1.077 17.314 -1.869 715 H VAL 87 H VAL 87 3.141 16.592 1.214 716 HA VAL 87 HA VAL 87 4.086 19.302 1.835 717 HB VAL 87 HB VAL 87 5.186 16.518 2.391 718 HG11 VAL 87 1HG1 VAL 87 6.178 19.240 3.335 719 HG12 VAL 87 2HG1 VAL 87 6.726 17.669 3.965 720 HG13 VAL 87 3HG1 VAL 87 7.052 18.104 2.277 721 HG21 VAL 87 1HG2 VAL 87 3.928 18.609 4.221 722 HG22 VAL 87 2HG2 VAL 87 3.079 17.190 3.578 723 HG23 VAL 87 3HG2 VAL 87 4.465 16.971 4.673 724 H ALA 88 H ALA 88 4.831 16.619 -0.380 725 HA ALA 88 HA ALA 88 7.311 17.698 -1.330 726 HB1 ALA 88 1HB ALA 88 5.375 15.731 -2.631 727 HB2 ALA 88 2HB ALA 88 7.076 15.992 -3.080 728 HB3 ALA 88 3HB ALA 88 6.673 15.310 -1.491 729 H GLN 89 H GLN 89 3.952 18.490 -1.993 730 HA GLN 89 HA GLN 89 4.979 20.269 -4.140 731 HB2 GLN 89 2HB GLN 89 2.060 19.608 -3.799 732 HB3 GLN 89 1HB GLN 89 2.892 20.330 -5.189 733 HG2 GLN 89 2HG GLN 89 3.142 17.449 -4.213 734 HG3 GLN 89 1HG GLN 89 2.261 17.991 -5.636 735 HE21 GLN 89 1HE2 GLN 89 5.646 16.616 -6.582 736 HE22 GLN 89 2HE2 GLN 89 4.312 16.020 -5.612 737 H GLY 90 H GLY 90 4.169 20.240 -0.902 738 HA2 GLY 90 2HA GLY 90 2.828 22.817 -0.746 739 HA3 GLY 90 3HA GLY 90 3.558 21.891 0.586 740 H ARG 91 H ARG 91 6.091 21.656 -1.095 741 HA ARG 91 HA ARG 91 7.201 24.366 -0.568 742 HB2 ARG 91 2HB ARG 91 8.609 21.684 -0.879 743 HB3 ARG 91 1HB ARG 91 9.390 23.233 -0.528 744 HG2 ARG 91 2HG ARG 91 8.061 23.418 1.574 745 HG3 ARG 91 1HG ARG 91 7.318 21.844 1.231 746 HD2 ARG 91 2HD ARG 91 9.133 21.526 2.804 747 HD3 ARG 91 1HD ARG 91 9.578 20.800 1.247 748 HE ARG 91 HE ARG 91 10.489 23.546 1.511 749 HH11 ARG 91 1HH1 ARG 91 11.250 20.211 2.394 750 HH12 ARG 91 2HH1 ARG 91 12.969 20.518 2.524 751 HH21 ARG 91 1HH2 ARG 91 12.715 23.910 1.655 752 HH22 ARG 91 2HH2 ARG 91 13.797 22.618 2.123 753 H ARG 92 H ARG 92 5.663 23.171 -2.994 754 HA ARG 92 HA ARG 92 7.502 23.045 -5.184 755 HB2 ARG 92 2HB ARG 92 5.285 21.968 -5.078 756 HB3 ARG 92 1HB ARG 92 4.501 23.555 -5.045 757 HG2 ARG 92 2HG ARG 92 4.405 22.418 -7.230 758 HG3 ARG 92 1HG ARG 92 5.197 24.011 -7.309 759 HD2 ARG 92 2HD ARG 92 7.425 22.855 -7.228 760 HD3 ARG 92 1HD ARG 92 6.577 21.294 -7.231 761 HE ARG 92 HE ARG 92 6.167 21.540 -9.507 762 HH11 ARG 92 1HH1 ARG 92 7.282 24.634 -8.184 763 HH12 ARG 92 2HH1 ARG 92 7.472 25.366 -9.756 764 HH21 ARG 92 1HH2 ARG 92 6.421 22.533 -11.538 765 HH22 ARG 92 2HH2 ARG 92 6.978 24.185 -11.647 766 H LEU 93 H LEU 93 6.171 25.690 -3.424 767 HA LEU 93 HA LEU 93 6.808 27.600 -5.619 768 HB2 LEU 93 2HB LEU 93 4.977 27.782 -3.202 769 HB3 LEU 93 1HB LEU 93 5.475 29.198 -4.125 770 HG LEU 93 HG LEU 93 3.282 28.517 -4.810 771 HD11 LEU 93 1HD1 LEU 93 5.274 27.806 -7.005 772 HD12 LEU 93 2HD1 LEU 93 3.603 28.376 -7.206 773 HD13 LEU 93 3HD1 LEU 93 4.830 29.455 -6.514 774 HD21 LEU 93 1HD2 LEU 93 4.421 25.871 -5.772 775 HD22 LEU 93 2HD2 LEU 93 3.496 26.076 -4.263 776 HD23 LEU 93 3HD2 LEU 93 2.739 26.423 -5.833 777 H GLU 94 H GLU 94 8.423 26.165 -3.214 778 HA GLU 94 HA GLU 94 9.421 28.497 -1.788 779 HB2 GLU 94 2HB GLU 94 9.108 26.182 -0.839 780 HB3 GLU 94 1HB GLU 94 10.475 25.642 -1.828 781 HG2 GLU 94 2HG GLU 94 11.944 27.289 -0.686 782 HG3 GLU 94 1HG GLU 94 10.564 27.830 0.287 783 H LEU 95 H LEU 95 10.096 27.010 -4.805 784 HA LEU 95 HA LEU 95 12.512 28.664 -5.129 785 HB2 LEU 95 2HB LEU 95 13.328 26.460 -4.351 786 HB3 LEU 95 1HB LEU 95 12.411 25.669 -5.644 787 HG LEU 95 HG LEU 95 13.782 26.856 -7.342 788 HD11 LEU 95 1HD1 LEU 95 15.308 27.889 -4.910 789 HD12 LEU 95 2HD1 LEU 95 15.851 28.024 -6.598 790 HD13 LEU 95 3HD1 LEU 95 14.387 28.875 -6.071 791 HD21 LEU 95 1HD2 LEU 95 14.449 24.634 -6.524 792 HD22 LEU 95 2HD2 LEU 95 15.874 25.623 -6.912 793 HD23 LEU 95 3HD2 LEU 95 15.394 25.391 -5.216 794 H5' GNG 96 H5T DG 96 11.826 3.250 8.418 795 H5'1 GNG 96 1H5* DG 96 11.440 0.546 7.635 796 H5'2 GNG 96 2H5* DG 96 10.735 1.962 6.835 797 H4' GNG 96 H4* DG 96 10.260 1.168 9.741 798 H1' GNG 96 H1* DG 96 7.346 2.807 9.098 799 H8 GNG 96 8H DG 96 8.533 3.734 5.556 800 HN21 GNG 96 1H2 DG 96 5.591 7.932 10.989 801 HN22 GNG 96 2H2 DG 96 6.036 6.336 11.561 802 H2'1 GNG 96 1H2* DG 96 8.453 1.829 6.456 803 H2'2 GNG 96 2H2* DG 96 6.954 1.334 7.310 804 H3' GNG 96 H3* DG 96 9.231 -0.116 7.568 805 HN1 GNG 96 1H DG 96 5.910 8.556 8.882 806 H5' DT 97 1H5* DT 97 6.217 1.427 10.663 807 H5'' DT 97 2H5* DT 97 4.971 0.239 11.063 808 H4' DT 97 H4* DT 97 4.088 2.561 11.037 809 H3' DT 97 H3* DT 97 2.786 0.375 9.906 810 H2' DT 97 1H2* DT 97 3.536 0.782 7.703 811 H2'' DT 97 2H2* DT 97 1.972 1.668 7.688 812 H1' DT 97 H1* DT 97 2.979 3.721 8.283 813 H3 DT 97 3H DT 97 4.840 5.716 4.722 814 H71 DT 97 1H7 DT 97 7.279 1.632 3.923 815 H72 DT 97 2H7 DT 97 6.153 0.446 4.632 816 H73 DT 97 3H7 DT 97 5.752 1.261 3.105 817 H6 DT 97 6H DT 97 4.988 1.223 6.415 818 H5' DA 98 1H5* DA 98 -0.554 0.709 9.765 819 H5'' DA 98 2H5* DA 98 -1.423 1.503 11.091 820 H4' DA 98 H4* DA 98 -2.569 -0.518 10.690 821 H3' DA 98 H3* DA 98 -1.491 -0.021 13.186 822 H2' DA 98 1H2* DA 98 0.373 -1.363 13.148 823 H2'' DA 98 2H2* DA 98 -0.786 -2.654 13.572 824 H1' DA 98 H1* DA 98 -0.744 -3.532 11.452 825 H8 DA 98 8H DA 98 2.030 -0.812 11.842 826 H61 DA 98 1H6 DA 98 5.769 -5.029 9.278 827 H62 DA 98 2H6 DA 98 5.682 -3.429 9.984 828 H2 DA 98 2H DA 98 1.639 -6.679 9.284 829 H5' DA 99 1H5* DA 99 -5.254 -2.344 15.163 830 H5'' DA 99 2H5* DA 99 -4.723 -3.367 13.808 831 H4' DA 99 H4* DA 99 -6.726 -4.355 14.575 832 H3' DA 99 H3* DA 99 -6.537 -3.584 11.991 833 H2' DA 99 1H2* DA 99 -7.515 -1.507 11.979 834 H2'' DA 99 2H2* DA 99 -9.071 -2.387 11.953 835 H1' DA 99 H1* DA 99 -9.539 -1.804 14.093 836 H8 DA 99 8H DA 99 -7.503 0.412 12.236 837 H61 DA 99 1H6 DA 99 -6.920 4.146 17.158 838 H62 DA 99 2H6 DA 99 -6.735 4.044 15.415 839 H2 DA 99 2H DA 99 -8.396 0.231 18.586 840 H5' DA 100 1H5* DA 100 -10.968 -3.981 12.067 841 H5'' DA 100 2H5* DA 100 -11.401 -5.189 10.836 842 H4' DA 100 H4* DA 100 -12.817 -3.311 10.415 843 H3' DA 100 H3* DA 100 -10.976 -4.175 8.460 844 H2' DA 100 1H2* DA 100 -9.537 -2.306 8.744 845 H2'' DA 100 2H2* DA 100 -10.637 -1.664 7.475 846 H1' DA 100 H1* DA 100 -12.060 -0.664 9.139 847 H8 DA 100 8H DA 100 -8.251 -0.976 9.865 848 H61 DA 100 1H6 DA 100 -8.521 5.170 10.764 849 H62 DA 100 2H6 DA 100 -7.449 3.785 10.662 850 H2 DA 100 2H DA 100 -12.649 3.692 10.112 851 H5' DA 101 1H5* DA 101 -11.669 -0.916 5.675 852 H5'' DA 101 2H5* DA 101 -12.685 -0.468 7.062 853 H4' DA 101 H4* DA 101 -14.440 0.304 5.348 854 H3' DA 101 H3* DA 101 -13.023 -0.922 3.422 855 HO3' DA 101 H3T DA 101 -13.711 0.725 1.968 856 H2' DA 101 1H2* DA 101 -10.898 -0.001 3.862 857 H2'' DA 101 2H2* DA 101 -11.456 1.171 2.632 858 H1' DA 101 H1* DA 101 -11.863 2.801 4.206 859 H8 DA 101 8H DA 101 -9.785 -0.134 5.671 860 H61 DA 101 1H6 DA 101 -6.356 4.366 8.217 861 H62 DA 101 2H6 DA 101 -6.494 2.632 7.971 862 H2 DA 101 2H DA 101 -9.911 6.241 6.339 Start of MODEL 10 1 H1 MET 1 1H MET 1 -11.626 -16.563 -11.630 2 H2 MET 1 2H MET 1 -11.568 -18.133 -11.148 3 H3 MET 1 3H MET 1 -11.126 -17.728 -12.683 4 HA MET 1 HA MET 1 -9.204 -18.187 -11.344 5 HB2 MET 1 2HB MET 1 -9.539 -15.267 -12.135 6 HB3 MET 1 1HB MET 1 -7.997 -16.042 -11.742 7 HG2 MET 1 2HG MET 1 -9.872 -16.846 -14.003 8 HG3 MET 1 1HG MET 1 -8.363 -15.947 -14.173 9 HE1 MET 1 1HE MET 1 -9.095 -18.523 -15.854 10 HE2 MET 1 2HE MET 1 -7.572 -17.625 -16.042 11 HE3 MET 1 3HE MET 1 -7.542 -19.390 -15.833 12 H SER 2 H SER 2 -7.772 -17.443 -9.613 13 HA SER 2 HA SER 2 -7.425 -17.140 -7.419 14 HB2 SER 2 2HB SER 2 -7.591 -14.787 -8.226 15 HB3 SER 2 1HB SER 2 -9.271 -14.753 -7.665 16 HG SER 2 HG SER 2 -8.438 -15.316 -5.572 17 H GLU 3 H GLU 3 -9.659 -18.906 -8.169 18 HA GLU 3 HA GLU 3 -11.679 -18.549 -6.070 19 HB2 GLU 3 2HB GLU 3 -11.202 -20.676 -8.186 20 HB3 GLU 3 1HB GLU 3 -12.571 -20.690 -7.059 21 HG2 GLU 3 2HG GLU 3 -13.398 -18.580 -7.918 22 HG3 GLU 3 1HG GLU 3 -11.953 -18.363 -8.915 23 H GLN 4 H GLN 4 -8.547 -19.588 -5.990 24 HA GLN 4 HA GLN 4 -9.083 -21.426 -3.706 25 HB2 GLN 4 2HB GLN 4 -7.036 -21.746 -5.926 26 HB3 GLN 4 1HB GLN 4 -7.135 -22.764 -4.473 27 HG2 GLN 4 2HG GLN 4 -9.430 -23.461 -5.128 28 HG3 GLN 4 1HG GLN 4 -9.294 -22.496 -6.610 29 HE21 GLN 4 1HE2 GLN 4 -8.480 -25.911 -7.674 30 HE22 GLN 4 2HE2 GLN 4 -9.877 -24.970 -7.185 31 H LEU 5 H LEU 5 -7.728 -18.552 -4.778 32 HA LEU 5 HA LEU 5 -5.498 -18.630 -2.781 33 HB2 LEU 5 2HB LEU 5 -5.872 -17.215 -5.436 34 HB3 LEU 5 1HB LEU 5 -4.671 -16.685 -4.254 35 HG LEU 5 HG LEU 5 -3.668 -18.020 -6.011 36 HD11 LEU 5 1HD1 LEU 5 -3.698 -19.538 -3.378 37 HD12 LEU 5 2HD1 LEU 5 -2.459 -19.640 -4.642 38 HD13 LEU 5 3HD1 LEU 5 -2.690 -18.114 -3.755 39 HD21 LEU 5 1HD2 LEU 5 -4.119 -20.329 -6.408 40 HD22 LEU 5 2HD2 LEU 5 -5.255 -20.419 -5.054 41 HD23 LEU 5 3HD2 LEU 5 -5.665 -19.462 -6.507 42 H THR 6 H THR 6 -5.327 -16.981 -1.332 43 HA THR 6 HA THR 6 -7.466 -14.906 -1.330 44 HB THR 6 HB THR 6 -7.868 -16.530 0.435 45 HG1 THR 6 1HG THR 6 -7.833 -15.059 2.136 46 HG21 THR 6 1HG2 THR 6 -5.635 -17.453 0.770 47 HG22 THR 6 2HG2 THR 6 -5.038 -15.874 1.339 48 HG23 THR 6 3HG2 THR 6 -6.231 -16.788 2.298 49 H ASP 7 H ASP 7 -6.727 -12.947 0.069 50 HA ASP 7 HA ASP 7 -4.419 -11.851 -1.205 51 HB2 ASP 7 2HB ASP 7 -5.939 -11.034 1.296 52 HB3 ASP 7 1HB ASP 7 -4.707 -10.036 0.509 53 H GLN 8 H GLN 8 -4.781 -13.803 1.695 54 HA GLN 8 HA GLN 8 -2.420 -12.917 3.043 55 HB2 GLN 8 2HB GLN 8 -4.411 -14.275 3.946 56 HB3 GLN 8 1HB GLN 8 -3.656 -15.691 3.190 57 HG2 GLN 8 2HG GLN 8 -1.581 -15.257 4.505 58 HG3 GLN 8 1HG GLN 8 -2.399 -13.891 5.298 59 HE21 GLN 8 1HE2 GLN 8 -3.393 -17.799 6.267 60 HE22 GLN 8 2HE2 GLN 8 -2.496 -17.450 4.803 61 H VAL 9 H VAL 9 -3.015 -15.508 0.618 62 HA VAL 9 HA VAL 9 -0.325 -16.575 0.991 63 HB VAL 9 HB VAL 9 -2.082 -18.140 0.596 64 HG11 VAL 9 1HG1 VAL 9 -2.696 -16.549 -1.913 65 HG12 VAL 9 2HG1 VAL 9 -3.423 -18.125 -1.484 66 HG13 VAL 9 3HG1 VAL 9 -3.702 -16.709 -0.450 67 HG21 VAL 9 1HG2 VAL 9 -0.508 -17.893 -2.007 68 HG22 VAL 9 2HG2 VAL 9 0.095 -18.646 -0.505 69 HG23 VAL 9 3HG2 VAL 9 -1.292 -19.346 -1.365 70 H LEU 10 H LEU 10 -1.927 -14.284 -1.179 71 HA LEU 10 HA LEU 10 0.111 -14.261 -3.204 72 HB2 LEU 10 2HB LEU 10 -2.132 -12.484 -2.284 73 HB3 LEU 10 1HB LEU 10 -0.853 -11.748 -3.265 74 HG LEU 10 HG LEU 10 -1.182 -13.299 -5.057 75 HD11 LEU 10 1HD1 LEU 10 -3.330 -14.556 -3.317 76 HD12 LEU 10 2HD1 LEU 10 -3.022 -14.958 -5.024 77 HD13 LEU 10 3HD1 LEU 10 -1.786 -15.317 -3.793 78 HD21 LEU 10 1HD2 LEU 10 -3.834 -12.227 -4.002 79 HD22 LEU 10 2HD2 LEU 10 -2.651 -11.312 -4.966 80 HD23 LEU 10 3HD2 LEU 10 -3.513 -12.689 -5.690 81 H VAL 11 H VAL 11 -0.228 -12.751 -0.015 82 HA VAL 11 HA VAL 11 1.956 -10.887 -0.374 83 HB VAL 11 HB VAL 11 0.423 -11.909 2.045 84 HG11 VAL 11 1HG1 VAL 11 1.513 -9.995 3.250 85 HG12 VAL 11 2HG1 VAL 11 2.663 -11.276 2.830 86 HG13 VAL 11 3HG1 VAL 11 2.610 -9.792 1.855 87 HG21 VAL 11 1HG2 VAL 11 -0.544 -9.662 1.995 88 HG22 VAL 11 2HG2 VAL 11 0.498 -9.215 0.627 89 HG23 VAL 11 3HG2 VAL 11 -0.767 -10.452 0.421 90 H GLU 12 H GLU 12 1.674 -14.213 1.000 91 HA GLU 12 HA GLU 12 4.319 -14.126 2.129 92 HB2 GLU 12 2HB GLU 12 2.604 -16.510 1.303 93 HB3 GLU 12 1HB GLU 12 4.076 -16.579 2.293 94 HG2 GLU 12 2HG GLU 12 2.950 -14.939 3.891 95 HG3 GLU 12 1HG GLU 12 1.460 -15.194 2.988 96 H ARG 13 H ARG 13 3.050 -14.924 -1.084 97 HA ARG 13 HA ARG 13 5.452 -16.219 -2.035 98 HB2 ARG 13 2HB ARG 13 3.060 -14.905 -3.369 99 HB3 ARG 13 1HB ARG 13 4.398 -15.612 -4.302 100 HG2 ARG 13 2HG ARG 13 4.049 -17.787 -3.273 101 HG3 ARG 13 1HG ARG 13 2.788 -17.126 -2.204 102 HD2 ARG 13 2HD ARG 13 1.397 -16.579 -4.153 103 HD3 ARG 13 1HD ARG 13 2.663 -17.177 -5.245 104 HE ARG 13 HE ARG 13 2.008 -19.244 -3.414 105 HH11 ARG 13 1HH1 ARG 13 0.534 -17.472 -6.095 106 HH12 ARG 13 2HH1 ARG 13 -0.473 -18.812 -6.582 107 HH21 ARG 13 1HH2 ARG 13 0.678 -20.979 -4.067 108 HH22 ARG 13 2HH2 ARG 13 -0.388 -20.793 -5.439 109 H VAL 14 H VAL 14 4.347 -12.787 -2.089 110 HA VAL 14 HA VAL 14 6.646 -12.024 -3.670 111 HB VAL 14 HB VAL 14 4.834 -10.653 -3.951 112 HG11 VAL 14 1HG1 VAL 14 3.583 -11.224 -1.901 113 HG12 VAL 14 2HG1 VAL 14 4.627 -10.119 -0.973 114 HG13 VAL 14 3HG1 VAL 14 3.575 -9.495 -2.282 115 HG21 VAL 14 1HG2 VAL 14 6.934 -9.349 -3.745 116 HG22 VAL 14 2HG2 VAL 14 5.511 -8.412 -3.225 117 HG23 VAL 14 3HG2 VAL 14 6.587 -9.104 -2.007 118 H GLN 15 H GLN 15 6.201 -12.619 -0.223 119 HA GLN 15 HA GLN 15 8.657 -11.270 0.532 120 HB2 GLN 15 2HB GLN 15 7.079 -13.524 1.834 121 HB3 GLN 15 1HB GLN 15 8.525 -12.772 2.525 122 HG2 GLN 15 2HG GLN 15 7.381 -10.544 2.385 123 HG3 GLN 15 1HG GLN 15 5.904 -11.365 1.874 124 HE21 GLN 15 1HE2 GLN 15 5.641 -10.828 5.541 125 HE22 GLN 15 2HE2 GLN 15 5.636 -9.879 4.072 126 H LYS 16 H LYS 16 7.860 -14.463 -0.875 127 HA LYS 16 HA LYS 16 10.554 -15.501 -0.502 128 HB2 LYS 16 2HB LYS 16 8.214 -16.426 -2.217 129 HB3 LYS 16 1HB LYS 16 9.694 -17.343 -1.915 130 HG2 LYS 16 2HG LYS 16 7.607 -16.517 0.138 131 HG3 LYS 16 1HG LYS 16 7.921 -18.157 -0.466 132 HD2 LYS 16 2HD LYS 16 10.183 -18.068 0.540 133 HD3 LYS 16 1HD LYS 16 9.840 -16.426 1.147 134 HE2 LYS 16 2HE LYS 16 7.938 -17.271 2.441 135 HE3 LYS 16 1HE LYS 16 8.214 -18.909 1.815 136 HZ1 LYS 16 1HZ LYS 16 9.164 -18.621 3.996 137 HZ2 LYS 16 2HZ LYS 16 10.353 -18.897 2.898 138 HZ3 LYS 16 3HZ LYS 16 10.107 -17.379 3.478 139 H GLY 17 H GLY 17 9.123 -13.280 -2.690 140 HA2 GLY 17 2HA GLY 17 10.710 -12.036 -4.052 141 HA3 GLY 17 3HA GLY 17 11.511 -13.556 -4.468 142 H ASP 18 H ASP 18 8.205 -14.211 -4.454 143 HA ASP 18 HA ASP 18 8.078 -14.100 -7.377 144 HB2 ASP 18 2HB ASP 18 6.435 -15.280 -5.136 145 HB3 ASP 18 1HB ASP 18 5.686 -15.031 -6.703 146 H GLN 19 H GLN 19 8.154 -11.838 -7.739 147 HA GLN 19 HA GLN 19 6.347 -9.993 -6.518 148 HB2 GLN 19 2HB GLN 19 8.546 -9.490 -7.604 149 HB3 GLN 19 1HB GLN 19 7.800 -9.806 -9.184 150 HG2 GLN 19 2HG GLN 19 6.204 -7.968 -8.811 151 HG3 GLN 19 1HG GLN 19 6.835 -7.723 -7.180 152 HE21 GLN 19 1HE2 GLN 19 8.488 -5.079 -9.062 153 HE22 GLN 19 2HE2 GLN 19 6.944 -5.455 -8.335 154 H LYS 20 H LYS 20 5.902 -12.413 -8.928 155 HA LYS 20 HA LYS 20 3.825 -11.177 -10.459 156 HB2 LYS 20 2HB LYS 20 3.358 -13.474 -11.218 157 HB3 LYS 20 1HB LYS 20 5.080 -13.092 -11.236 158 HG2 LYS 20 2HG LYS 20 5.181 -15.177 -10.324 159 HG3 LYS 20 1HG LYS 20 5.064 -14.235 -8.833 160 HD2 LYS 20 2HD LYS 20 2.559 -14.655 -8.861 161 HD3 LYS 20 1HD LYS 20 2.799 -15.669 -10.292 162 HE2 LYS 20 2HE LYS 20 4.017 -16.116 -7.537 163 HE3 LYS 20 1HE LYS 20 2.668 -17.018 -8.244 164 HZ1 LYS 20 1HZ LYS 20 4.679 -18.228 -8.509 165 HZ2 LYS 20 2HZ LYS 20 4.197 -17.731 -9.998 166 HZ3 LYS 20 3HZ LYS 20 5.443 -16.975 -9.227 167 H ALA 21 H ALA 21 3.876 -12.721 -7.285 168 HA ALA 21 HA ALA 21 0.983 -12.996 -7.133 169 HB1 ALA 21 1HB ALA 21 3.136 -13.051 -4.978 170 HB2 ALA 21 2HB ALA 21 1.448 -13.574 -4.794 171 HB3 ALA 21 3HB ALA 21 2.530 -14.460 -5.889 172 H PHE 22 H PHE 22 3.444 -10.576 -6.161 173 HA PHE 22 HA PHE 22 1.638 -8.847 -4.772 174 HB2 PHE 22 2HB PHE 22 4.066 -8.759 -4.600 175 HB3 PHE 22 1HB PHE 22 4.197 -8.244 -6.281 176 HD1 PHE 22 1HD PHE 22 2.346 -7.246 -3.160 177 HD2 PHE 22 2HD PHE 22 4.473 -5.958 -6.661 178 HE1 PHE 22 1HE PHE 22 2.133 -4.890 -2.416 179 HE2 PHE 22 2HE PHE 22 4.271 -3.601 -5.915 180 HZ PHE 22 HZ PHE 22 3.085 -3.065 -3.790 181 H ASN 23 H ASN 23 2.449 -9.297 -8.247 182 HA ASN 23 HA ASN 23 1.291 -6.884 -9.211 183 HB2 ASN 23 2HB ASN 23 2.763 -8.515 -10.471 184 HB3 ASN 23 1HB ASN 23 1.363 -9.588 -10.589 185 HD21 ASN 23 1HD2 ASN 23 0.997 -7.897 -13.731 186 HD22 ASN 23 2HD2 ASN 23 1.703 -9.308 -12.958 187 H LEU 24 H LEU 24 -0.090 -10.119 -8.532 188 HA LEU 24 HA LEU 24 -2.695 -9.435 -9.588 189 HB2 LEU 24 2HB LEU 24 -1.818 -11.662 -7.709 190 HB3 LEU 24 1HB LEU 24 -3.344 -11.609 -8.614 191 HG LEU 24 HG LEU 24 -0.589 -11.619 -9.914 192 HD11 LEU 24 1HD1 LEU 24 -2.571 -13.885 -9.472 193 HD12 LEU 24 2HD1 LEU 24 -1.065 -13.983 -10.425 194 HD13 LEU 24 3HD1 LEU 24 -0.990 -13.689 -8.675 195 HD21 LEU 24 1HD2 LEU 24 -3.385 -12.017 -11.048 196 HD22 LEU 24 2HD2 LEU 24 -2.312 -10.621 -11.329 197 HD23 LEU 24 3HD2 LEU 24 -1.861 -12.214 -11.951 198 H LEU 25 H LEU 25 -1.056 -9.051 -6.531 199 HA LEU 25 HA LEU 25 -3.495 -8.627 -4.986 200 HB2 LEU 25 2HB LEU 25 -1.408 -9.715 -4.121 201 HB3 LEU 25 1HB LEU 25 -0.555 -8.183 -4.333 202 HG LEU 25 HG LEU 25 -2.032 -7.117 -2.666 203 HD11 LEU 25 1HD1 LEU 25 -4.098 -8.438 -2.964 204 HD12 LEU 25 2HD1 LEU 25 -3.249 -9.910 -2.416 205 HD13 LEU 25 3HD1 LEU 25 -3.532 -8.575 -1.289 206 HD21 LEU 25 1HD2 LEU 25 0.062 -8.262 -1.986 207 HD22 LEU 25 2HD2 LEU 25 -1.184 -8.372 -0.725 208 HD23 LEU 25 3HD2 LEU 25 -0.845 -9.776 -1.769 209 H VAL 26 H VAL 26 -1.142 -6.668 -6.766 210 HA VAL 26 HA VAL 26 -1.807 -4.159 -5.481 211 HB VAL 26 HB VAL 26 -0.309 -4.974 -7.983 212 HG11 VAL 26 1HG1 VAL 26 -0.953 -2.141 -7.060 213 HG12 VAL 26 2HG1 VAL 26 0.258 -2.562 -8.294 214 HG13 VAL 26 3HG1 VAL 26 -1.459 -2.883 -8.594 215 HG21 VAL 26 1HG2 VAL 26 0.484 -3.397 -5.501 216 HG22 VAL 26 2HG2 VAL 26 0.749 -5.138 -5.703 217 HG23 VAL 26 3HG2 VAL 26 1.565 -3.990 -6.791 218 H VAL 27 H VAL 27 -2.660 -5.556 -8.710 219 HA VAL 27 HA VAL 27 -4.277 -3.342 -9.457 220 HB VAL 27 HB VAL 27 -3.292 -5.039 -10.982 221 HG11 VAL 27 1HG1 VAL 27 -3.819 -7.052 -9.639 222 HG12 VAL 27 2HG1 VAL 27 -5.550 -6.821 -9.977 223 HG13 VAL 27 3HG1 VAL 27 -4.421 -7.187 -11.303 224 HG21 VAL 27 1HG2 VAL 27 -5.147 -3.557 -11.725 225 HG22 VAL 27 2HG2 VAL 27 -5.145 -5.132 -12.541 226 HG23 VAL 27 3HG2 VAL 27 -6.317 -4.812 -11.247 227 H ARG 28 H ARG 28 -4.954 -6.069 -7.375 228 HA ARG 28 HA ARG 28 -7.833 -5.953 -7.522 229 HB2 ARG 28 2HB ARG 28 -6.666 -7.930 -6.781 230 HB3 ARG 28 1HB ARG 28 -5.832 -7.030 -5.497 231 HG2 ARG 28 2HG ARG 28 -7.899 -6.656 -4.304 232 HG3 ARG 28 1HG ARG 28 -8.853 -7.359 -5.620 233 HD2 ARG 28 2HD ARG 28 -6.734 -8.870 -4.028 234 HD3 ARG 28 1HD ARG 28 -8.474 -8.933 -3.691 235 HE ARG 28 HE ARG 28 -8.289 -9.576 -6.372 236 HH11 ARG 28 1HH1 ARG 28 -6.859 -10.903 -3.409 237 HH12 ARG 28 2HH1 ARG 28 -6.802 -12.529 -4.042 238 HH21 ARG 28 1HH2 ARG 28 -8.174 -11.704 -7.161 239 HH22 ARG 28 2HH2 ARG 28 -7.543 -12.983 -6.153 240 H TYR 29 H TYR 29 -5.415 -4.665 -5.194 241 HA TYR 29 HA TYR 29 -7.511 -3.117 -3.853 242 HB2 TYR 29 2HB TYR 29 -4.585 -3.622 -3.342 243 HB3 TYR 29 1HB TYR 29 -5.475 -2.383 -2.469 244 HD1 TYR 29 1HD TYR 29 -5.649 -6.054 -3.314 245 HD2 TYR 29 2HD TYR 29 -6.730 -2.915 -0.580 246 HE1 TYR 29 1HE TYR 29 -6.593 -7.734 -1.765 247 HE2 TYR 29 2HE TYR 29 -7.691 -4.590 0.973 248 HH TYR 29 HH TYR 29 -7.685 -8.096 0.238 249 H GLN 30 H GLN 30 -5.541 -2.645 -6.573 250 HA GLN 30 HA GLN 30 -4.771 0.052 -6.353 251 HB2 GLN 30 2HB GLN 30 -4.034 -1.533 -8.077 252 HB3 GLN 30 1HB GLN 30 -5.676 -1.618 -8.742 253 HG2 GLN 30 2HG GLN 30 -5.536 0.766 -9.355 254 HG3 GLN 30 1HG GLN 30 -3.877 0.834 -8.705 255 HE21 GLN 30 1HE2 GLN 30 -2.533 -1.327 -11.331 256 HE22 GLN 30 2HE2 GLN 30 -2.392 -1.015 -9.613 257 H HIS 31 H HIS 31 -7.960 -1.397 -6.891 258 HA HIS 31 HA HIS 31 -9.174 1.136 -7.713 259 HB2 HIS 31 2HB HIS 31 -10.446 -1.449 -6.769 260 HB3 HIS 31 1HB HIS 31 -11.249 -0.131 -7.635 261 HD2 HIS 31 2HD HIS 31 -9.480 0.394 -10.101 262 HE1 HIS 31 1HE HIS 31 -9.466 -3.792 -10.847 263 HE2 HIS 31 2HE HIS 31 -9.041 -1.496 -11.861 264 H LYS 32 H LYS 32 -8.674 -0.681 -4.694 265 HA LYS 32 HA LYS 32 -10.590 1.014 -3.242 266 HB2 LYS 32 2HB LYS 32 -8.746 -1.246 -2.347 267 HB3 LYS 32 1HB LYS 32 -9.894 -0.379 -1.305 268 HG2 LYS 32 2HG LYS 32 -11.218 -2.155 -1.921 269 HG3 LYS 32 1HG LYS 32 -11.637 -0.991 -3.191 270 HD2 LYS 32 2HD LYS 32 -9.576 -2.232 -4.438 271 HD3 LYS 32 1HD LYS 32 -10.054 -3.537 -3.333 272 HE2 LYS 32 2HE LYS 32 -12.434 -3.227 -4.157 273 HE3 LYS 32 1HE LYS 32 -11.798 -2.074 -5.348 274 HZ1 LYS 32 1HZ LYS 32 -11.992 -4.255 -6.304 275 HZ2 LYS 32 2HZ LYS 32 -10.395 -3.872 -6.186 276 HZ3 LYS 32 3HZ LYS 32 -11.071 -4.922 -5.121 277 H VAL 33 H VAL 33 -7.069 0.625 -3.493 278 HA VAL 33 HA VAL 33 -6.438 2.400 -1.330 279 HB VAL 33 HB VAL 33 -5.019 0.557 -2.394 280 HG11 VAL 33 1HG1 VAL 33 -5.308 1.325 -4.765 281 HG12 VAL 33 2HG1 VAL 33 -4.375 2.793 -4.368 282 HG13 VAL 33 3HG1 VAL 33 -3.598 1.201 -4.277 283 HG21 VAL 33 1HG2 VAL 33 -4.126 2.178 -0.758 284 HG22 VAL 33 2HG2 VAL 33 -2.915 1.719 -1.977 285 HG23 VAL 33 3HG2 VAL 33 -3.734 3.289 -2.099 286 H ALA 34 H ALA 34 -7.181 2.807 -4.763 287 HA ALA 34 HA ALA 34 -6.173 5.524 -4.916 288 HB1 ALA 34 1HB ALA 34 -8.054 3.958 -6.729 289 HB2 ALA 34 2HB ALA 34 -7.244 5.488 -7.136 290 HB3 ALA 34 3HB ALA 34 -6.285 4.014 -6.877 291 H SER 35 H SER 35 -9.267 3.987 -4.052 292 HA SER 35 HA SER 35 -10.831 6.400 -4.287 293 HB2 SER 35 2HB SER 35 -11.778 4.114 -4.273 294 HB3 SER 35 1HB SER 35 -11.245 3.911 -2.590 295 HG SER 35 HG SER 35 -13.427 4.589 -2.740 296 H LEU 36 H LEU 36 -8.684 5.021 -1.828 297 HA LEU 36 HA LEU 36 -9.620 6.697 0.327 298 HB2 LEU 36 2HB LEU 36 -8.346 4.516 0.563 299 HB3 LEU 36 1HB LEU 36 -6.911 5.356 -0.041 300 HG LEU 36 HG LEU 36 -7.125 7.008 1.862 301 HD11 LEU 36 1HD1 LEU 36 -9.527 6.662 2.406 302 HD12 LEU 36 2HD1 LEU 36 -9.186 4.977 2.853 303 HD13 LEU 36 3HD1 LEU 36 -8.496 6.312 3.805 304 HD21 LEU 36 1HD2 LEU 36 -6.267 5.395 3.545 305 HD22 LEU 36 2HD2 LEU 36 -6.837 4.057 2.520 306 HD23 LEU 36 3HD2 LEU 36 -5.564 5.153 1.929 307 H VAL 37 H VAL 37 -6.831 6.871 -1.954 308 HA VAL 37 HA VAL 37 -5.918 9.300 -0.644 309 HB VAL 37 HB VAL 37 -4.338 7.618 -1.269 310 HG11 VAL 37 1HG1 VAL 37 -5.413 6.705 -3.291 311 HG12 VAL 37 2HG1 VAL 37 -5.051 8.217 -4.155 312 HG13 VAL 37 3HG1 VAL 37 -3.721 7.174 -3.581 313 HG21 VAL 37 1HG2 VAL 37 -2.688 9.044 -2.187 314 HG22 VAL 37 2HG2 VAL 37 -3.885 9.982 -3.115 315 HG23 VAL 37 3HG2 VAL 37 -3.829 10.134 -1.345 316 H SER 38 H SER 38 -7.986 8.642 -3.378 317 HA SER 38 HA SER 38 -7.511 11.068 -4.816 318 HB2 SER 38 2HB SER 38 -9.745 10.710 -5.746 319 HB3 SER 38 1HB SER 38 -8.840 9.184 -5.710 320 HG SER 38 HG SER 38 -10.986 8.972 -4.900 321 H ARG 39 H ARG 39 -8.898 10.466 -1.688 322 HA ARG 39 HA ARG 39 -10.407 12.948 -1.538 323 HB2 ARG 39 2HB ARG 39 -9.509 10.929 0.551 324 HB3 ARG 39 1HB ARG 39 -10.631 12.275 0.829 325 HG2 ARG 39 2HG ARG 39 -12.182 11.333 -0.867 326 HG3 ARG 39 1HG ARG 39 -11.060 9.986 -1.147 327 HD2 ARG 39 2HD ARG 39 -12.816 9.253 0.350 328 HD3 ARG 39 1HD ARG 39 -11.277 9.312 1.225 329 HE ARG 39 HE ARG 39 -12.661 11.801 1.543 330 HH11 ARG 39 1HH1 ARG 39 -12.823 8.426 2.566 331 HH12 ARG 39 2HH1 ARG 39 -13.638 8.801 4.070 332 HH21 ARG 39 1HH2 ARG 39 -13.710 12.264 3.512 333 HH22 ARG 39 2HH2 ARG 39 -14.142 10.964 4.599 334 H TYR 40 H TYR 40 -7.083 12.215 -1.442 335 HA TYR 40 HA TYR 40 -6.520 14.561 0.324 336 HB2 TYR 40 2HB TYR 40 -4.906 12.057 -0.220 337 HB3 TYR 40 1HB TYR 40 -4.314 13.461 0.686 338 HD1 TYR 40 1HD TYR 40 -6.785 10.695 0.718 339 HD2 TYR 40 2HD TYR 40 -4.913 13.846 2.953 340 HE1 TYR 40 1HE TYR 40 -7.771 9.779 2.813 341 HE2 TYR 40 2HE TYR 40 -5.892 12.949 5.052 342 HH TYR 40 HH TYR 40 -7.980 10.032 5.083 343 H VAL 41 H VAL 41 -6.028 13.152 -2.888 344 HA VAL 41 HA VAL 41 -4.594 15.657 -3.608 345 HB VAL 41 HB VAL 41 -3.062 14.510 -5.036 346 HG11 VAL 41 1HG1 VAL 41 -3.041 13.200 -2.287 347 HG12 VAL 41 2HG1 VAL 41 -1.649 13.418 -3.376 348 HG13 VAL 41 3HG1 VAL 41 -2.431 14.831 -2.650 349 HG21 VAL 41 1HG2 VAL 41 -4.410 12.601 -5.710 350 HG22 VAL 41 2HG2 VAL 41 -2.854 12.060 -5.055 351 HG23 VAL 41 3HG2 VAL 41 -4.324 11.926 -4.058 352 HA PRO 42 HA PRO 42 -7.527 15.996 -6.822 353 HB2 PRO 42 2HB PRO 42 -5.210 16.703 -8.606 354 HB3 PRO 42 1HB PRO 42 -6.740 17.603 -8.348 355 HG2 PRO 42 2HG PRO 42 -4.445 18.450 -7.167 356 HG3 PRO 42 1HG PRO 42 -5.975 18.414 -6.220 357 HD2 PRO 42 2HD PRO 42 -3.733 16.368 -6.272 358 HD3 PRO 42 1HD PRO 42 -4.569 17.099 -4.865 359 H SER 43 H SER 43 -8.340 14.898 -8.670 360 HA SER 43 HA SER 43 -7.463 12.227 -9.020 361 HB2 SER 43 2HB SER 43 -9.256 13.930 -10.786 362 HB3 SER 43 1HB SER 43 -9.157 12.160 -10.794 363 HG SER 43 HG SER 43 -10.877 12.935 -9.491 364 H GLY 44 H GLY 44 -6.209 15.131 -10.381 365 HA2 GLY 44 2HA GLY 44 -5.254 13.928 -12.866 366 HA3 GLY 44 3HA GLY 44 -4.886 15.545 -12.230 367 H ASP 45 H ASP 45 -4.181 13.984 -9.556 368 HA ASP 45 HA ASP 45 -1.456 13.143 -10.433 369 HB2 ASP 45 2HB ASP 45 -2.256 14.696 -7.935 370 HB3 ASP 45 1HB ASP 45 -0.640 14.104 -8.297 371 H VAL 46 H VAL 46 -4.349 12.124 -9.052 372 HA VAL 46 HA VAL 46 -3.362 10.714 -6.798 373 HB VAL 46 HB VAL 46 -5.712 11.440 -7.170 374 HG11 VAL 46 1HG1 VAL 46 -5.916 8.914 -8.860 375 HG12 VAL 46 2HG1 VAL 46 -7.252 9.940 -8.300 376 HG13 VAL 46 3HG1 VAL 46 -6.074 10.579 -9.473 377 HG21 VAL 46 1HG2 VAL 46 -5.236 8.517 -6.506 378 HG22 VAL 46 2HG2 VAL 46 -5.057 9.911 -5.399 379 HG23 VAL 46 3HG2 VAL 46 -6.658 9.481 -6.045 380 HA PRO 47 HA PRO 47 -3.180 6.766 -9.450 381 HB2 PRO 47 2HB PRO 47 -2.292 6.904 -12.020 382 HB3 PRO 47 1HB PRO 47 -4.029 7.083 -11.597 383 HG2 PRO 47 2HG PRO 47 -2.000 9.300 -12.030 384 HG3 PRO 47 1HG PRO 47 -3.610 9.120 -12.807 385 HD2 PRO 47 2HD PRO 47 -3.297 10.678 -10.641 386 HD3 PRO 47 1HD PRO 47 -4.738 9.626 -10.782 387 H ASP 48 H ASP 48 -1.023 9.537 -9.691 388 HA ASP 48 HA ASP 48 1.383 7.901 -9.934 389 HB2 ASP 48 2HB ASP 48 1.163 10.190 -10.895 390 HB3 ASP 48 1HB ASP 48 1.059 10.841 -9.247 391 H VAL 49 H VAL 49 -0.549 9.378 -7.346 392 HA VAL 49 HA VAL 49 1.461 8.879 -5.293 393 HB VAL 49 HB VAL 49 -1.516 9.479 -5.054 394 HG11 VAL 49 1HG1 VAL 49 0.742 9.672 -3.031 395 HG12 VAL 49 2HG1 VAL 49 -0.934 10.190 -2.766 396 HG13 VAL 49 3HG1 VAL 49 -0.577 8.470 -3.013 397 HG21 VAL 49 1HG2 VAL 49 0.923 11.303 -4.901 398 HG22 VAL 49 2HG2 VAL 49 -0.292 11.311 -6.198 399 HG23 VAL 49 3HG2 VAL 49 -0.755 11.795 -4.559 400 H VAL 50 H VAL 50 -1.288 7.147 -6.728 401 HA VAL 50 HA VAL 50 -1.506 5.118 -4.704 402 HB VAL 50 HB VAL 50 -2.323 5.348 -7.619 403 HG11 VAL 50 1HG1 VAL 50 -3.659 3.250 -7.231 404 HG12 VAL 50 2HG1 VAL 50 -1.910 2.977 -7.305 405 HG13 VAL 50 3HG1 VAL 50 -2.728 2.999 -5.729 406 HG21 VAL 50 1HG2 VAL 50 -3.535 6.660 -5.856 407 HG22 VAL 50 2HG2 VAL 50 -4.560 5.455 -6.660 408 HG23 VAL 50 3HG2 VAL 50 -3.913 5.138 -5.031 409 H GLN 51 H GLN 51 0.406 5.393 -7.750 410 HA GLN 51 HA GLN 51 1.410 2.697 -7.530 411 HB2 GLN 51 2HB GLN 51 1.178 3.990 -9.662 412 HB3 GLN 51 1HB GLN 51 2.412 5.123 -9.085 413 HG2 GLN 51 2HG GLN 51 3.457 3.569 -10.593 414 HG3 GLN 51 1HG GLN 51 4.040 3.230 -8.963 415 HE21 GLN 51 1HE2 GLN 51 3.392 -0.105 -10.314 416 HE22 GLN 51 2HE2 GLN 51 4.572 1.186 -10.413 417 H GLU 52 H GLU 52 2.480 5.909 -6.347 418 HA GLU 52 HA GLU 52 5.106 4.998 -5.604 419 HB2 GLU 52 2HB GLU 52 4.421 7.387 -5.903 420 HB3 GLU 52 1HB GLU 52 3.455 7.264 -4.415 421 HG2 GLU 52 2HG GLU 52 5.518 6.610 -3.169 422 HG3 GLU 52 1HG GLU 52 6.457 6.810 -4.660 423 H ALA 53 H ALA 53 1.889 4.929 -4.065 424 HA ALA 53 HA ALA 53 2.871 4.147 -1.473 425 HB1 ALA 53 1HB ALA 53 0.136 3.830 -2.782 426 HB2 ALA 53 2HB ALA 53 0.489 3.630 -1.051 427 HB3 ALA 53 3HB ALA 53 0.683 5.223 -1.822 428 H PHE 54 H PHE 54 2.082 2.409 -4.475 429 HA PHE 54 HA PHE 54 2.109 -0.201 -3.178 430 HB2 PHE 54 2HB PHE 54 1.925 0.865 -5.982 431 HB3 PHE 54 1HB PHE 54 2.313 -0.829 -5.740 432 HD1 PHE 54 1HD PHE 54 0.646 -1.711 -3.532 433 HD2 PHE 54 2HD PHE 54 -0.266 1.067 -6.688 434 HE1 PHE 54 1HE PHE 54 -1.766 -2.251 -3.310 435 HE2 PHE 54 2HE PHE 54 -2.667 0.526 -6.468 436 HZ PHE 54 HZ PHE 54 -3.419 -1.156 -4.788 437 H ILE 55 H ILE 55 4.497 1.835 -4.976 438 HA ILE 55 HA ILE 55 6.537 -0.194 -4.961 439 HB ILE 55 HB ILE 55 6.314 2.754 -5.442 440 HG12 ILE 55 2HG1 ILE 55 7.276 2.207 -7.543 441 HG13 ILE 55 1HG1 ILE 55 7.883 0.643 -6.952 442 HG21 ILE 55 1HG2 ILE 55 8.962 1.331 -4.985 443 HG22 ILE 55 2HG2 ILE 55 8.772 2.942 -5.713 444 HG23 ILE 55 3HG2 ILE 55 8.317 2.684 -4.020 445 HD11 ILE 55 1HD1 ILE 55 4.954 1.327 -7.391 446 HD12 ILE 55 2HD1 ILE 55 5.982 0.370 -8.479 447 HD13 ILE 55 3HD1 ILE 55 5.603 -0.244 -6.855 448 H LYS 56 H LYS 56 5.597 2.385 -2.612 449 HA LYS 56 HA LYS 56 7.684 1.783 -0.744 450 HB2 LYS 56 2HB LYS 56 4.920 3.044 -0.591 451 HB3 LYS 56 1HB LYS 56 5.929 2.819 0.853 452 HG2 LYS 56 2HG LYS 56 7.715 4.122 -0.126 453 HG3 LYS 56 1HG LYS 56 6.834 4.286 -1.664 454 HD2 LYS 56 2HD LYS 56 5.181 5.692 -0.724 455 HD3 LYS 56 1HD LYS 56 5.552 5.169 0.927 456 HE2 LYS 56 2HE LYS 56 6.432 7.396 0.667 457 HE3 LYS 56 1HE LYS 56 7.775 6.243 0.778 458 HZ1 LYS 56 1HZ LYS 56 7.905 6.337 -1.651 459 HZ2 LYS 56 2HZ LYS 56 6.736 7.500 -1.673 460 HZ3 LYS 56 3HZ LYS 56 8.174 7.802 -0.955 461 H ALA 57 H ALA 57 4.448 0.373 -1.360 462 HA ALA 57 HA ALA 57 4.465 -1.230 1.034 463 HB1 ALA 57 1HB ALA 57 2.392 -0.600 -0.138 464 HB2 ALA 57 2HB ALA 57 2.910 -1.529 -1.569 465 HB3 ALA 57 3HB ALA 57 2.552 -2.365 -0.044 466 H TYR 58 H TYR 58 5.843 -1.640 -2.217 467 HA TYR 58 HA TYR 58 6.172 -4.505 -1.984 468 HB2 TYR 58 2HB TYR 58 6.101 -3.340 -4.150 469 HB3 TYR 58 1HB TYR 58 7.533 -2.401 -3.709 470 HD1 TYR 58 1HD TYR 58 9.649 -3.148 -4.332 471 HD2 TYR 58 2HD TYR 58 6.387 -5.952 -4.147 472 HE1 TYR 58 1HE TYR 58 11.118 -4.905 -5.254 473 HE2 TYR 58 2HE TYR 58 7.858 -7.723 -5.077 474 HH TYR 58 HH TYR 58 11.286 -7.097 -5.915 475 H ARG 59 H ARG 59 8.325 -1.685 -1.669 476 HA ARG 59 HA ARG 59 10.666 -3.133 -0.889 477 HB2 ARG 59 2HB ARG 59 9.820 -0.234 -0.675 478 HB3 ARG 59 1HB ARG 59 11.471 -0.810 -0.343 479 HG2 ARG 59 2HG ARG 59 11.766 -1.587 -2.592 480 HG3 ARG 59 1HG ARG 59 10.040 -1.397 -2.972 481 HD2 ARG 59 2HD ARG 59 10.147 0.976 -2.768 482 HD3 ARG 59 1HD ARG 59 11.846 0.920 -2.232 483 HE ARG 59 HE ARG 59 11.598 -0.385 -4.763 484 HH11 ARG 59 1HH1 ARG 59 11.501 2.847 -3.334 485 HH12 ARG 59 2HH1 ARG 59 12.034 3.641 -4.800 486 HH21 ARG 59 1HH2 ARG 59 12.290 0.674 -6.660 487 HH22 ARG 59 2HH2 ARG 59 12.479 2.409 -6.682 488 H ALA 60 H ALA 60 7.827 -2.411 0.820 489 HA ALA 60 HA ALA 60 9.251 -2.948 3.392 490 HB1 ALA 60 1HB ALA 60 6.615 -1.501 2.951 491 HB2 ALA 60 2HB ALA 60 7.412 -1.791 4.514 492 HB3 ALA 60 3HB ALA 60 8.177 -0.725 3.314 493 H LEU 61 H LEU 61 7.383 -4.464 1.038 494 HA LEU 61 HA LEU 61 5.531 -5.859 2.732 495 HB2 LEU 61 2HB LEU 61 6.158 -5.701 -0.072 496 HB3 LEU 61 1HB LEU 61 6.192 -7.401 0.391 497 HG LEU 61 HG LEU 61 3.896 -5.474 0.974 498 HD11 LEU 61 1HD1 LEU 61 4.188 -5.997 -1.417 499 HD12 LEU 61 2HD1 LEU 61 4.194 -7.736 -1.041 500 HD13 LEU 61 3HD1 LEU 61 2.722 -6.770 -0.761 501 HD21 LEU 61 1HD2 LEU 61 4.000 -7.247 2.649 502 HD22 LEU 61 2HD2 LEU 61 2.679 -7.580 1.518 503 HD23 LEU 61 3HD2 LEU 61 4.222 -8.471 1.375 504 H ASP 62 H ASP 62 8.913 -6.355 1.853 505 HA ASP 62 HA ASP 62 8.992 -9.037 2.983 506 HB2 ASP 62 2HB ASP 62 11.395 -8.869 2.623 507 HB3 ASP 62 1HB ASP 62 10.526 -8.311 1.185 508 H SER 63 H SER 63 8.533 -6.075 4.384 509 HA SER 63 HA SER 63 9.783 -6.954 6.945 510 HB2 SER 63 2HB SER 63 10.722 -4.851 5.949 511 HB3 SER 63 1HB SER 63 9.105 -4.128 6.048 512 HG SER 63 HG SER 63 10.445 -3.655 7.870 513 H PHE 64 H PHE 64 6.905 -6.547 5.197 514 HA PHE 64 HA PHE 64 5.090 -5.848 7.309 515 HB2 PHE 64 2HB PHE 64 4.479 -5.631 4.953 516 HB3 PHE 64 1HB PHE 64 4.809 -7.335 4.679 517 HD1 PHE 64 1HD PHE 64 3.037 -8.826 4.647 518 HD2 PHE 64 2HD PHE 64 2.638 -5.142 6.823 519 HE1 PHE 64 1HE PHE 64 0.668 -9.381 5.160 520 HE2 PHE 64 2HE PHE 64 0.276 -5.701 7.345 521 HZ PHE 64 HZ PHE 64 -0.702 -7.827 6.523 522 H ASP 65 H ASP 65 3.947 -7.150 8.720 523 HA ASP 65 HA ASP 65 4.877 -9.947 9.011 524 HB2 ASP 65 2HB ASP 65 4.854 -8.470 10.985 525 HB3 ASP 65 1HB ASP 65 3.124 -8.184 10.759 526 H ILE 66 H ILE 66 3.785 -11.477 7.906 527 HA ILE 66 HA ILE 66 1.368 -10.928 6.531 528 HB ILE 66 HB ILE 66 2.914 -12.570 5.724 529 HG12 ILE 66 2HG1 ILE 66 1.455 -14.568 5.449 530 HG13 ILE 66 1HG1 ILE 66 0.372 -13.948 6.693 531 HG21 ILE 66 1HG2 ILE 66 3.942 -13.280 7.802 532 HG22 ILE 66 2HG2 ILE 66 2.430 -14.074 8.329 533 HG23 ILE 66 3HG2 ILE 66 3.339 -14.693 6.925 534 HD11 ILE 66 1HD1 ILE 66 1.121 -12.491 4.112 535 HD12 ILE 66 2HD1 ILE 66 -0.398 -13.372 4.377 536 HD13 ILE 66 3HD1 ILE 66 -0.055 -11.914 5.319 537 H ASN 67 H ASN 67 1.968 -11.998 9.821 538 HA ASN 67 HA ASN 67 -0.646 -13.209 10.126 539 HB2 ASN 67 2HB ASN 67 1.426 -12.436 12.210 540 HB3 ASN 67 1HB ASN 67 0.020 -13.506 12.430 541 HD21 ASN 67 1HD2 ASN 67 1.435 -16.182 10.412 542 HD22 ASN 67 2HD2 ASN 67 -0.086 -15.381 10.742 543 H ARG 68 H ARG 68 0.195 -10.094 9.728 544 HA ARG 68 HA ARG 68 -2.009 -9.038 11.450 545 HB2 ARG 68 2HB ARG 68 0.433 -7.721 10.233 546 HB3 ARG 68 1HB ARG 68 -0.893 -6.811 10.975 547 HG2 ARG 68 2HG ARG 68 -0.565 -8.082 13.099 548 HG3 ARG 68 1HG ARG 68 0.806 -8.934 12.359 549 HD2 ARG 68 2HD ARG 68 1.944 -6.756 11.997 550 HD3 ARG 68 1HD ARG 68 0.584 -5.928 12.782 551 HE ARG 68 HE ARG 68 1.603 -7.975 14.508 552 HH11 ARG 68 1HH1 ARG 68 2.423 -4.767 13.253 553 HH12 ARG 68 2HH1 ARG 68 3.379 -4.342 14.658 554 HH21 ARG 68 1HH2 ARG 68 2.880 -7.391 16.302 555 HH22 ARG 68 2HH2 ARG 68 3.638 -5.818 16.370 556 H LYS 69 H LYS 69 -3.132 -7.070 10.319 557 HA LYS 69 HA LYS 69 -4.476 -8.201 8.071 558 HB2 LYS 69 2HB LYS 69 -5.379 -6.532 9.816 559 HB3 LYS 69 1HB LYS 69 -4.513 -5.286 8.910 560 HG2 LYS 69 2HG LYS 69 -6.747 -5.270 8.101 561 HG3 LYS 69 1HG LYS 69 -5.788 -6.044 6.835 562 HD2 LYS 69 2HD LYS 69 -6.550 -8.263 7.552 563 HD3 LYS 69 1HD LYS 69 -7.362 -7.562 8.972 564 HE2 LYS 69 2HE LYS 69 -8.030 -6.881 6.092 565 HE3 LYS 69 1HE LYS 69 -8.911 -8.070 7.074 566 HZ1 LYS 69 1HZ LYS 69 -9.402 -6.302 8.632 567 HZ2 LYS 69 2HZ LYS 69 -8.635 -5.209 7.676 568 HZ3 LYS 69 3HZ LYS 69 -10.000 -5.958 7.138 569 H PHE 70 H PHE 70 -4.065 -8.113 5.944 570 HA PHE 70 HA PHE 70 -1.739 -6.738 4.911 571 HB2 PHE 70 2HB PHE 70 -2.837 -7.557 2.694 572 HB3 PHE 70 1HB PHE 70 -2.197 -8.737 3.836 573 HD1 PHE 70 1HD PHE 70 -5.378 -7.241 2.565 574 HD2 PHE 70 2HD PHE 70 -3.528 -10.337 4.912 575 HE1 PHE 70 1HE PHE 70 -7.550 -8.414 2.741 576 HE2 PHE 70 2HE PHE 70 -5.700 -11.524 5.050 577 HZ PHE 70 HZ PHE 70 -7.712 -10.561 3.976 578 H SER 71 H SER 71 -5.256 -6.045 4.917 579 HA SER 71 HA SER 71 -4.917 -3.978 2.899 580 HB2 SER 71 2HB SER 71 -7.350 -3.670 3.213 581 HB3 SER 71 1HB SER 71 -6.877 -5.349 2.885 582 HG SER 71 HG SER 71 -8.377 -5.136 4.632 583 H THR 72 H THR 72 -5.539 -4.023 6.450 584 HA THR 72 HA THR 72 -5.942 -1.207 6.688 585 HB THR 72 HB THR 72 -4.880 -3.281 8.628 586 HG1 THR 72 1HG THR 72 -7.043 -3.366 9.258 587 HG21 THR 72 1HG2 THR 72 -5.639 -1.761 10.420 588 HG22 THR 72 2HG2 THR 72 -4.359 -1.016 9.444 589 HG23 THR 72 3HG2 THR 72 -6.056 -0.528 9.202 590 H TRP 73 H TRP 73 -3.016 -3.223 6.562 591 HA TRP 73 HA TRP 73 -1.209 -1.038 7.251 592 HB2 TRP 73 2HB TRP 73 -0.614 -3.270 7.828 593 HB3 TRP 73 1HB TRP 73 -0.918 -3.848 6.189 594 HD1 TRP 73 HD TRP 73 1.740 -2.058 8.260 595 HE1 TRP 73 1HE TRP 73 3.963 -2.150 7.012 596 HE3 TRP 73 3HE TRP 73 0.051 -3.795 3.766 597 HZ2 TRP 73 2HZ TRP 73 4.917 -2.978 4.384 598 HZ3 TRP 73 3HZ TRP 73 1.618 -4.164 1.899 599 HH2 TRP 73 HH TRP 73 4.054 -3.780 2.207 600 H LEU 74 H LEU 74 -2.709 -2.354 4.322 601 HA LEU 74 HA LEU 74 -0.865 -1.035 2.501 602 HB2 LEU 74 2HB LEU 74 -2.104 -3.042 1.817 603 HB3 LEU 74 1HB LEU 74 -3.636 -2.234 2.147 604 HG LEU 74 HG LEU 74 -3.302 -0.646 0.349 605 HD11 LEU 74 1HD1 LEU 74 -0.848 -0.380 0.398 606 HD12 LEU 74 2HD1 LEU 74 -0.648 -2.055 -0.179 607 HD13 LEU 74 3HD1 LEU 74 -1.406 -0.824 -1.220 608 HD21 LEU 74 1HD2 LEU 74 -3.377 -2.207 -1.552 609 HD22 LEU 74 2HD2 LEU 74 -2.675 -3.487 -0.537 610 HD23 LEU 74 3HD2 LEU 74 -4.292 -2.845 -0.165 611 H TYR 75 H TYR 75 -4.118 -0.316 3.830 612 HA TYR 75 HA TYR 75 -4.471 2.061 2.235 613 HB2 TYR 75 2HB TYR 75 -5.781 1.129 4.812 614 HB3 TYR 75 1HB TYR 75 -6.362 2.462 3.826 615 HD1 TYR 75 1HD TYR 75 -6.075 1.307 1.051 616 HD2 TYR 75 2HD TYR 75 -7.440 -0.469 4.723 617 HE1 TYR 75 1HE TYR 75 -7.499 -0.264 -0.235 618 HE2 TYR 75 2HE TYR 75 -8.891 -2.019 3.446 619 HH TYR 75 HH TYR 75 -9.015 -1.987 -0.134 620 H ARG 76 H ARG 76 -2.960 1.375 5.362 621 HA ARG 76 HA ARG 76 -2.878 4.091 6.299 622 HB2 ARG 76 2HB ARG 76 -2.642 2.133 7.757 623 HB3 ARG 76 1HB ARG 76 -1.197 1.609 6.884 624 HG2 ARG 76 2HG ARG 76 -0.692 2.678 9.048 625 HG3 ARG 76 1HG ARG 76 0.066 3.529 7.691 626 HD2 ARG 76 2HD ARG 76 -1.496 5.314 7.802 627 HD3 ARG 76 1HD ARG 76 -2.620 4.373 8.816 628 HE ARG 76 HE ARG 76 -0.360 4.469 10.351 629 HH11 ARG 76 1HH1 ARG 76 -2.319 6.968 8.794 630 HH12 ARG 76 2HH1 ARG 76 -1.966 8.161 10.024 631 HH21 ARG 76 1HH2 ARG 76 0.080 6.036 11.922 632 HH22 ARG 76 2HH2 ARG 76 -0.596 7.642 11.783 633 H ILE 77 H ILE 77 -0.881 2.166 4.112 634 HA ILE 77 HA ILE 77 1.345 4.048 4.129 635 HB ILE 77 HB ILE 77 0.572 1.621 2.479 636 HG12 ILE 77 2HG1 ILE 77 2.755 2.286 4.494 637 HG13 ILE 77 1HG1 ILE 77 1.325 1.313 4.822 638 HG21 ILE 77 1HG2 ILE 77 2.776 1.787 1.377 639 HG22 ILE 77 2HG2 ILE 77 1.760 3.165 0.973 640 HG23 ILE 77 3HG2 ILE 77 3.059 3.359 2.176 641 HD11 ILE 77 1HD1 ILE 77 2.085 -0.362 3.125 642 HD12 ILE 77 2HD1 ILE 77 3.580 0.585 2.902 643 HD13 ILE 77 3HD1 ILE 77 3.231 -0.160 4.469 644 H ALA 78 H ALA 78 -1.614 3.559 2.197 645 HA ALA 78 HA ALA 78 -0.678 5.247 0.044 646 HB1 ALA 78 1HB ALA 78 -2.306 3.441 -0.253 647 HB2 ALA 78 2HB ALA 78 -3.470 4.286 0.795 648 HB3 ALA 78 3HB ALA 78 -2.990 5.002 -0.764 649 H VAL 79 H VAL 79 -2.547 5.820 3.039 650 HA VAL 79 HA VAL 79 -3.192 8.536 2.162 651 HB VAL 79 HB VAL 79 -4.751 7.240 3.527 652 HG11 VAL 79 1HG1 VAL 79 -2.712 7.536 5.756 653 HG12 VAL 79 2HG1 VAL 79 -4.364 6.889 5.902 654 HG13 VAL 79 3HG1 VAL 79 -3.159 6.012 4.932 655 HG21 VAL 79 1HG2 VAL 79 -3.660 9.684 4.984 656 HG22 VAL 79 2HG2 VAL 79 -4.730 9.731 3.561 657 HG23 VAL 79 3HG2 VAL 79 -5.300 9.030 5.099 658 H ASN 80 H ASN 80 -0.651 6.936 4.044 659 HA ASN 80 HA ASN 80 0.380 9.480 5.039 660 HB2 ASN 80 2HB ASN 80 1.518 6.659 4.930 661 HB3 ASN 80 1HB ASN 80 2.388 8.035 5.615 662 HD21 ASN 80 1HD2 ASN 80 0.845 6.454 8.519 663 HD22 ASN 80 2HD2 ASN 80 2.150 6.179 7.378 664 H THR 81 H THR 81 0.870 7.409 2.186 665 HA THR 81 HA THR 81 3.164 8.858 1.190 666 HB THR 81 HB THR 81 1.068 7.093 -0.145 667 HG1 THR 81 1HG THR 81 2.370 5.974 1.227 668 HG21 THR 81 1HG2 THR 81 2.010 8.520 -1.870 669 HG22 THR 81 2HG2 THR 81 3.661 8.240 -1.251 670 HG23 THR 81 3HG2 THR 81 2.745 6.917 -2.006 671 H ALA 82 H ALA 82 -0.331 9.330 1.165 672 HA ALA 82 HA ALA 82 -0.457 11.257 -0.955 673 HB1 ALA 82 1HB ALA 82 -2.224 10.974 1.519 674 HB2 ALA 82 2HB ALA 82 -2.675 11.685 -0.041 675 HB3 ALA 82 3HB ALA 82 -2.355 9.933 0.081 676 H LYS 83 H LYS 83 -0.126 11.489 2.600 677 HA LYS 83 HA LYS 83 -0.197 14.354 2.726 678 HB2 LYS 83 2HB LYS 83 0.795 12.145 4.568 679 HB3 LYS 83 1HB LYS 83 0.675 13.849 5.067 680 HG2 LYS 83 2HG LYS 83 -1.655 13.887 4.877 681 HG3 LYS 83 1HG LYS 83 -1.723 12.451 3.841 682 HD2 LYS 83 2HD LYS 83 -1.081 10.995 5.636 683 HD3 LYS 83 1HD LYS 83 -0.804 12.378 6.739 684 HE2 LYS 83 2HE LYS 83 -3.180 13.003 6.518 685 HE3 LYS 83 1HE LYS 83 -3.449 11.633 5.429 686 HZ1 LYS 83 1HZ LYS 83 -2.596 11.445 8.246 687 HZ2 LYS 83 2HZ LYS 83 -4.099 11.115 7.680 688 HZ3 LYS 83 3HZ LYS 83 -2.832 10.164 7.237 689 H ASN 84 H ASN 84 2.396 11.947 2.357 690 HA ASN 84 HA ASN 84 4.533 13.888 2.700 691 HB2 ASN 84 2HB ASN 84 4.449 11.096 1.498 692 HB3 ASN 84 1HB ASN 84 5.930 12.037 1.759 693 HD21 ASN 84 1HD2 ASN 84 5.664 9.793 4.676 694 HD22 ASN 84 2HD2 ASN 84 5.932 9.646 2.950 695 H TYR 85 H TYR 85 2.457 12.912 0.037 696 HA TYR 85 HA TYR 85 4.195 14.021 -2.026 697 HB2 TYR 85 2HB TYR 85 2.641 12.141 -2.410 698 HB3 TYR 85 1HB TYR 85 1.276 13.184 -2.027 699 HD1 TYR 85 1HD TYR 85 0.591 14.986 -3.603 700 HD2 TYR 85 2HD TYR 85 3.820 12.294 -4.524 701 HE1 TYR 85 1HE TYR 85 0.405 15.589 -6.005 702 HE2 TYR 85 2HE TYR 85 3.684 12.953 -6.916 703 HH TYR 85 HH TYR 85 1.285 15.324 -8.106 704 H LEU 86 H LEU 86 1.521 15.096 0.035 705 HA LEU 86 HA LEU 86 1.112 17.630 -1.322 706 HB2 LEU 86 2HB LEU 86 0.504 16.609 1.468 707 HB3 LEU 86 1HB LEU 86 0.016 18.204 0.899 708 HG LEU 86 HG LEU 86 -0.871 15.542 -0.307 709 HD11 LEU 86 1HD1 LEU 86 -3.074 16.178 0.596 710 HD12 LEU 86 2HD1 LEU 86 -1.870 16.079 1.898 711 HD13 LEU 86 3HD1 LEU 86 -2.375 17.669 1.277 712 HD21 LEU 86 1HD2 LEU 86 -2.445 16.939 -1.629 713 HD22 LEU 86 2HD2 LEU 86 -1.630 18.401 -1.038 714 HD23 LEU 86 3HD2 LEU 86 -0.758 17.234 -2.069 715 H VAL 87 H VAL 87 3.403 16.380 1.034 716 HA VAL 87 HA VAL 87 4.422 19.016 1.800 717 HB VAL 87 HB VAL 87 5.343 16.152 2.219 718 HG11 VAL 87 1HG1 VAL 87 6.634 18.730 3.199 719 HG12 VAL 87 2HG1 VAL 87 7.014 17.096 3.793 720 HG13 VAL 87 3HG1 VAL 87 7.360 17.522 2.106 721 HG21 VAL 87 1HG2 VAL 87 3.335 17.027 3.469 722 HG22 VAL 87 2HG2 VAL 87 4.702 16.591 4.521 723 HG23 VAL 87 3HG2 VAL 87 4.366 18.300 4.150 724 H ALA 88 H ALA 88 5.000 16.593 -0.714 725 HA ALA 88 HA ALA 88 7.559 17.605 -1.525 726 HB1 ALA 88 1HB ALA 88 7.172 16.212 -3.511 727 HB2 ALA 88 2HB ALA 88 6.730 15.328 -2.030 728 HB3 ALA 88 3HB ALA 88 5.461 16.024 -3.065 729 H GLN 89 H GLN 89 4.271 18.705 -1.988 730 HA GLN 89 HA GLN 89 5.318 20.724 -3.915 731 HB2 GLN 89 2HB GLN 89 3.021 20.974 -4.709 732 HB3 GLN 89 1HB GLN 89 3.648 19.332 -4.946 733 HG2 GLN 89 2HG GLN 89 2.476 18.578 -2.890 734 HG3 GLN 89 1HG GLN 89 1.814 20.213 -2.662 735 HE21 GLN 89 1HE2 GLN 89 0.321 17.651 -5.531 736 HE22 GLN 89 2HE2 GLN 89 1.843 17.323 -4.730 737 H GLY 90 H GLY 90 4.352 20.299 -0.689 738 HA2 GLY 90 2HA GLY 90 3.198 22.961 -0.330 739 HA3 GLY 90 3HA GLY 90 3.668 21.796 0.929 740 H ARG 91 H ARG 91 6.371 21.553 -0.545 741 HA ARG 91 HA ARG 91 7.638 23.845 0.806 742 HB2 ARG 91 2HB ARG 91 8.766 21.241 -0.269 743 HB3 ARG 91 1HB ARG 91 9.729 22.517 0.503 744 HG2 ARG 91 2HG ARG 91 8.360 22.348 2.548 745 HG3 ARG 91 1HG ARG 91 7.380 21.067 1.816 746 HD2 ARG 91 2HD ARG 91 10.385 20.923 2.294 747 HD3 ARG 91 1HD ARG 91 9.149 20.180 3.321 748 HE ARG 91 HE ARG 91 8.610 19.212 0.776 749 HH11 ARG 91 1HH1 ARG 91 11.379 19.173 2.967 750 HH12 ARG 91 2HH1 ARG 91 11.993 17.650 2.365 751 HH21 ARG 91 1HH2 ARG 91 9.436 17.223 0.000 752 HH22 ARG 91 2HH2 ARG 91 10.903 16.558 0.683 753 H ARG 92 H ARG 92 6.240 23.852 -1.993 754 HA ARG 92 HA ARG 92 8.394 24.527 -3.820 755 HB2 ARG 92 2HB ARG 92 5.400 25.048 -3.886 756 HB3 ARG 92 1HB ARG 92 6.518 25.440 -5.202 757 HG2 ARG 92 2HG ARG 92 7.193 23.049 -5.344 758 HG3 ARG 92 1HG ARG 92 5.977 22.649 -4.110 759 HD2 ARG 92 2HD ARG 92 5.390 23.981 -6.780 760 HD3 ARG 92 1HD ARG 92 5.163 22.260 -6.429 761 HE ARG 92 HE ARG 92 3.713 23.489 -4.447 762 HH11 ARG 92 1HH1 ARG 92 3.724 23.724 -7.975 763 HH12 ARG 92 2HH1 ARG 92 2.031 24.139 -8.073 764 HH21 ARG 92 1HH2 ARG 92 1.504 24.039 -4.602 765 HH22 ARG 92 2HH2 ARG 92 0.778 24.316 -6.167 766 H LEU 93 H LEU 93 6.850 26.180 -1.214 767 HA LEU 93 HA LEU 93 8.258 28.666 -1.982 768 HB2 LEU 93 2HB LEU 93 5.917 28.749 -2.840 769 HB3 LEU 93 1HB LEU 93 5.319 28.525 -1.191 770 HG LEU 93 HG LEU 93 6.299 30.685 -0.518 771 HD11 LEU 93 1HD1 LEU 93 7.221 30.843 -3.423 772 HD12 LEU 93 2HD1 LEU 93 7.264 32.179 -2.252 773 HD13 LEU 93 3HD1 LEU 93 8.275 30.742 -1.990 774 HD21 LEU 93 1HD2 LEU 93 4.720 30.858 -3.109 775 HD22 LEU 93 2HD2 LEU 93 4.032 30.619 -1.483 776 HD23 LEU 93 3HD2 LEU 93 4.866 32.136 -1.881 777 H GLU 94 H GLU 94 7.592 26.302 0.320 778 HA GLU 94 HA GLU 94 8.381 28.088 2.561 779 HB2 GLU 94 2HB GLU 94 6.191 25.976 2.554 780 HB3 GLU 94 1HB GLU 94 6.806 26.783 4.001 781 HG2 GLU 94 2HG GLU 94 5.452 28.155 1.643 782 HG3 GLU 94 1HG GLU 94 4.695 27.781 3.192 783 H LEU 95 H LEU 95 8.920 26.593 4.510 784 HA LEU 95 HA LEU 95 10.420 24.180 3.611 785 HB2 LEU 95 2HB LEU 95 11.426 26.433 5.401 786 HB3 LEU 95 1HB LEU 95 12.265 24.898 5.145 787 HG LEU 95 HG LEU 95 11.629 26.912 2.946 788 HD11 LEU 95 1HD1 LEU 95 14.225 26.259 4.398 789 HD12 LEU 95 2HD1 LEU 95 14.060 27.360 3.011 790 HD13 LEU 95 3HD1 LEU 95 13.284 27.761 4.560 791 HD21 LEU 95 1HD2 LEU 95 11.813 24.586 2.107 792 HD22 LEU 95 2HD2 LEU 95 13.229 25.540 1.628 793 HD23 LEU 95 3HD2 LEU 95 13.351 24.390 2.980 794 H5' GNG 96 H5T DG 96 12.803 2.120 9.116 795 H5'1 GNG 96 1H5* DG 96 11.277 0.618 8.236 796 H5'2 GNG 96 2H5* DG 96 11.175 2.226 7.495 797 H4' GNG 96 H4* DG 96 9.493 1.404 9.886 798 H1' GNG 96 H1* DG 96 7.141 3.073 9.123 799 H8 GNG 96 8H DG 96 8.551 4.105 5.662 800 HN21 GNG 96 1H2 DG 96 4.643 7.957 10.737 801 HN22 GNG 96 2H2 DG 96 5.156 6.393 11.338 802 H2'1 GNG 96 1H2* DG 96 7.954 2.200 6.356 803 H2'2 GNG 96 2H2* DG 96 6.668 1.556 7.420 804 H3' GNG 96 H3* DG 96 9.305 0.600 7.103 805 HN1 GNG 96 1H DG 96 5.133 8.627 8.665 806 H5' DT 97 1H5* DT 97 6.113 2.304 10.775 807 H5'' DT 97 2H5* DT 97 5.000 1.044 11.336 808 H4' DT 97 H4* DT 97 3.830 3.130 10.708 809 H3' DT 97 H3* DT 97 3.015 0.560 9.888 810 H2' DT 97 1H2* DT 97 3.744 0.816 7.670 811 H2'' DT 97 2H2* DT 97 2.082 1.481 7.514 812 H1' DT 97 H1* DT 97 2.810 3.716 7.929 813 H3 DT 97 3H DT 97 4.825 5.730 4.420 814 H71 DT 97 1H7 DT 97 7.307 1.619 3.791 815 H72 DT 97 2H7 DT 97 6.113 0.461 4.436 816 H73 DT 97 3H7 DT 97 5.824 1.290 2.885 817 H6 DT 97 6H DT 97 4.918 1.255 6.173 818 H5' DA 98 1H5* DA 98 -0.539 0.570 9.672 819 H5'' DA 98 2H5* DA 98 -1.427 1.475 10.908 820 H4' DA 98 H4* DA 98 -2.533 -0.605 10.785 821 H3' DA 98 H3* DA 98 -1.464 0.124 13.172 822 H2' DA 98 1H2* DA 98 0.590 -1.005 13.083 823 H2'' DA 98 2H2* DA 98 -0.385 -2.337 13.759 824 H1' DA 98 H1* DA 98 -0.529 -3.444 11.746 825 H8 DA 98 8H DA 98 2.150 -0.652 11.755 826 H61 DA 98 1H6 DA 98 5.818 -4.878 9.064 827 H62 DA 98 2H6 DA 98 5.752 -3.267 9.747 828 H2 DA 98 2H DA 98 1.706 -6.559 9.304 829 H5' DA 99 1H5* DA 99 -4.896 -2.900 12.566 830 H5'' DA 99 2H5* DA 99 -5.574 -1.396 13.187 831 H4' DA 99 H4* DA 99 -6.451 -4.145 14.196 832 H3' DA 99 H3* DA 99 -6.840 -3.512 11.628 833 H2' DA 99 1H2* DA 99 -7.547 -1.320 11.752 834 H2'' DA 99 2H2* DA 99 -9.171 -2.036 11.982 835 H1' DA 99 H1* DA 99 -9.218 -1.399 14.178 836 H8 DA 99 8H DA 99 -7.512 0.641 11.942 837 H61 DA 99 1H6 DA 99 -5.302 4.218 16.505 838 H62 DA 99 2H6 DA 99 -5.572 4.105 14.773 839 H2 DA 99 2H DA 99 -6.769 0.452 18.313 840 H5' DA 100 1H5* DA 100 -11.342 -3.381 12.270 841 H5'' DA 100 2H5* DA 100 -11.861 -4.806 11.344 842 H4' DA 100 H4* DA 100 -13.321 -3.226 10.579 843 H3' DA 100 H3* DA 100 -11.367 -4.094 8.791 844 H2' DA 100 1H2* DA 100 -10.025 -2.217 8.944 845 H2'' DA 100 2H2* DA 100 -11.043 -1.714 7.551 846 H1' DA 100 H1* DA 100 -12.495 -0.486 8.953 847 H8 DA 100 8H DA 100 -8.768 -0.704 9.447 848 H61 DA 100 1H6 DA 100 -9.090 5.180 11.404 849 H62 DA 100 2H6 DA 100 -8.006 3.888 10.923 850 H2 DA 100 2H DA 100 -13.225 3.607 11.102 851 H5' DA 101 1H5* DA 101 -14.085 -1.013 5.583 852 H5'' DA 101 2H5* DA 101 -12.448 -1.170 6.262 853 H4' DA 101 H4* DA 101 -14.056 1.414 6.391 854 H3' DA 101 H3* DA 101 -13.219 0.297 4.011 855 HO3' DA 101 H3T DA 101 -13.073 2.466 3.292 856 H2' DA 101 1H2* DA 101 -10.932 0.051 4.704 857 H2'' DA 101 2H2* DA 101 -10.870 1.614 3.822 858 H1' DA 101 H1* DA 101 -11.226 2.852 5.851 859 H8 DA 101 8H DA 101 -9.354 -0.546 6.181 860 H61 DA 101 1H6 DA 101 -4.757 2.877 8.561 861 H62 DA 101 2H6 DA 101 -5.208 1.271 8.017 862 H2 DA 101 2H DA 101 -8.245 5.530 7.897 Start of MODEL 11 1 H1 MET 1 1H MET 1 -20.167 -17.720 -4.743 2 H2 MET 1 2H MET 1 -20.603 -17.369 -6.289 3 H3 MET 1 3H MET 1 -19.687 -16.303 -5.427 4 HA MET 1 HA MET 1 -18.854 -18.986 -6.272 5 HB2 MET 1 2HB MET 1 -18.003 -16.247 -7.286 6 HB3 MET 1 1HB MET 1 -17.239 -17.785 -7.719 7 HG2 MET 1 2HG MET 1 -19.374 -18.606 -8.647 8 HG3 MET 1 1HG MET 1 -20.157 -17.087 -8.206 9 HE1 MET 1 1HE MET 1 -16.946 -17.565 -11.515 10 HE2 MET 1 2HE MET 1 -16.529 -17.666 -9.790 11 HE3 MET 1 3HE MET 1 -17.593 -18.890 -10.530 12 H SER 2 H SER 2 -16.524 -19.375 -5.927 13 HA SER 2 HA SER 2 -15.293 -17.785 -3.753 14 HB2 SER 2 2HB SER 2 -15.751 -20.789 -3.646 15 HB3 SER 2 1HB SER 2 -14.821 -19.842 -2.468 16 HG SER 2 HG SER 2 -16.741 -18.691 -2.007 17 H GLU 3 H GLU 3 -13.006 -18.465 -3.379 18 HA GLU 3 HA GLU 3 -11.750 -19.648 -5.807 19 HB2 GLU 3 2HB GLU 3 -10.915 -17.135 -4.315 20 HB3 GLU 3 1HB GLU 3 -9.948 -17.929 -5.565 21 HG2 GLU 3 2HG GLU 3 -12.733 -16.763 -5.966 22 HG3 GLU 3 1HG GLU 3 -11.214 -16.003 -6.451 23 H GLN 4 H GLN 4 -9.572 -20.484 -5.429 24 HA GLN 4 HA GLN 4 -9.414 -21.792 -2.807 25 HB2 GLN 4 2HB GLN 4 -7.768 -22.048 -5.344 26 HB3 GLN 4 1HB GLN 4 -7.589 -23.069 -3.911 27 HG2 GLN 4 2HG GLN 4 -9.957 -23.804 -4.140 28 HG3 GLN 4 1HG GLN 4 -10.111 -22.831 -5.611 29 HE21 GLN 4 1HE2 GLN 4 -9.446 -26.222 -6.847 30 HE22 GLN 4 2HE2 GLN 4 -10.740 -25.309 -6.102 31 H LEU 5 H LEU 5 -8.128 -18.982 -4.323 32 HA LEU 5 HA LEU 5 -5.787 -18.928 -2.464 33 HB2 LEU 5 2HB LEU 5 -6.291 -17.640 -5.166 34 HB3 LEU 5 1HB LEU 5 -4.989 -17.137 -4.088 35 HG LEU 5 HG LEU 5 -4.149 -18.593 -5.811 36 HD11 LEU 5 1HD1 LEU 5 -4.159 -20.027 -3.127 37 HD12 LEU 5 2HD1 LEU 5 -2.988 -20.251 -4.439 38 HD13 LEU 5 3HD1 LEU 5 -3.080 -18.691 -3.597 39 HD21 LEU 5 1HD2 LEU 5 -4.744 -20.877 -6.105 40 HD22 LEU 5 2HD2 LEU 5 -5.845 -20.855 -4.718 41 HD23 LEU 5 3HD2 LEU 5 -6.243 -19.924 -6.189 42 H THR 6 H THR 6 -5.530 -17.228 -1.117 43 HA THR 6 HA THR 6 -7.643 -15.129 -1.081 44 HB THR 6 HB THR 6 -7.959 -16.711 0.741 45 HG1 THR 6 1HG THR 6 -7.836 -15.200 2.402 46 HG21 THR 6 1HG2 THR 6 -5.083 -16.012 1.484 47 HG22 THR 6 2HG2 THR 6 -6.219 -16.909 2.525 48 HG23 THR 6 3HG2 THR 6 -5.689 -17.603 0.980 49 H ASP 7 H ASP 7 -6.792 -13.164 0.307 50 HA ASP 7 HA ASP 7 -4.475 -12.177 -1.096 51 HB2 ASP 7 2HB ASP 7 -6.092 -11.179 1.285 52 HB3 ASP 7 1HB ASP 7 -4.746 -10.270 0.589 53 H GLN 8 H GLN 8 -4.860 -14.006 1.857 54 HA GLN 8 HA GLN 8 -2.496 -13.101 3.187 55 HB2 GLN 8 2HB GLN 8 -4.455 -14.470 4.112 56 HB3 GLN 8 1HB GLN 8 -3.698 -15.884 3.352 57 HG2 GLN 8 2HG GLN 8 -1.599 -15.423 4.615 58 HG3 GLN 8 1HG GLN 8 -2.394 -14.057 5.415 59 HE21 GLN 8 1HE2 GLN 8 -2.682 -16.749 7.868 60 HE22 GLN 8 2HE2 GLN 8 -1.472 -15.663 7.216 61 H VAL 9 H VAL 9 -3.122 -15.764 0.836 62 HA VAL 9 HA VAL 9 -0.381 -16.720 1.011 63 HB VAL 9 HB VAL 9 -2.149 -18.306 0.634 64 HG11 VAL 9 1HG1 VAL 9 -2.831 -16.648 -1.810 65 HG12 VAL 9 2HG1 VAL 9 -3.544 -18.239 -1.407 66 HG13 VAL 9 3HG1 VAL 9 -3.804 -16.851 -0.332 67 HG21 VAL 9 1HG2 VAL 9 -0.644 -17.940 -1.989 68 HG22 VAL 9 2HG2 VAL 9 0.006 -18.743 -0.540 69 HG23 VAL 9 3HG2 VAL 9 -1.393 -19.433 -1.396 70 H LEU 10 H LEU 10 -2.147 -14.365 -0.919 71 HA LEU 10 HA LEU 10 -0.285 -14.213 -3.102 72 HB2 LEU 10 2HB LEU 10 -2.174 -12.200 -1.796 73 HB3 LEU 10 1HB LEU 10 -1.215 -11.825 -3.238 74 HG LEU 10 HG LEU 10 -3.255 -14.087 -3.073 75 HD11 LEU 10 1HD1 LEU 10 -3.273 -11.400 -4.514 76 HD12 LEU 10 2HD1 LEU 10 -4.532 -12.651 -4.631 77 HD13 LEU 10 3HD1 LEU 10 -4.271 -11.798 -3.088 78 HD21 LEU 10 1HD2 LEU 10 -1.457 -14.550 -4.678 79 HD22 LEU 10 2HD2 LEU 10 -2.933 -14.061 -5.545 80 HD23 LEU 10 3HD2 LEU 10 -1.613 -12.881 -5.319 81 H VAL 11 H VAL 11 -0.342 -12.871 0.186 82 HA VAL 11 HA VAL 11 1.817 -10.999 -0.329 83 HB VAL 11 HB VAL 11 0.406 -11.986 2.179 84 HG11 VAL 11 1HG1 VAL 11 2.537 -9.837 1.844 85 HG12 VAL 11 2HG1 VAL 11 1.510 -10.017 3.286 86 HG13 VAL 11 3HG1 VAL 11 2.660 -11.304 2.842 87 HG21 VAL 11 1HG2 VAL 11 0.358 -9.315 0.727 88 HG22 VAL 11 2HG2 VAL 11 -0.884 -10.578 0.558 89 HG23 VAL 11 3HG2 VAL 11 -0.631 -9.794 2.134 90 H GLU 12 H GLU 12 1.553 -14.308 1.050 91 HA GLU 12 HA GLU 12 4.256 -14.304 2.043 92 HB2 GLU 12 2HB GLU 12 2.443 -16.615 1.247 93 HB3 GLU 12 1HB GLU 12 3.964 -16.748 2.154 94 HG2 GLU 12 2HG GLU 12 2.981 -15.151 3.862 95 HG3 GLU 12 1HG GLU 12 1.442 -15.291 3.020 96 H ARG 13 H ARG 13 2.791 -15.022 -1.111 97 HA ARG 13 HA ARG 13 5.061 -16.344 -2.269 98 HB2 ARG 13 2HB ARG 13 2.713 -14.763 -3.380 99 HB3 ARG 13 1HB ARG 13 3.930 -15.508 -4.435 100 HG2 ARG 13 2HG ARG 13 3.414 -17.709 -3.628 101 HG3 ARG 13 1HG ARG 13 2.351 -17.074 -2.357 102 HD2 ARG 13 2HD ARG 13 0.779 -16.220 -4.015 103 HD3 ARG 13 1HD ARG 13 1.884 -16.653 -5.337 104 HE ARG 13 HE ARG 13 1.261 -18.961 -3.743 105 HH11 ARG 13 1HH1 ARG 13 -0.150 -16.813 -6.171 106 HH12 ARG 13 2HH1 ARG 13 -1.186 -18.057 -6.836 107 HH21 ARG 13 1HH2 ARG 13 -0.101 -20.557 -4.625 108 HH22 ARG 13 2HH2 ARG 13 -1.158 -20.166 -5.961 109 H VAL 14 H VAL 14 4.122 -12.844 -2.187 110 HA VAL 14 HA VAL 14 6.434 -12.176 -3.785 111 HB VAL 14 HB VAL 14 4.729 -10.717 -4.073 112 HG11 VAL 14 1HG1 VAL 14 3.346 -11.241 -2.127 113 HG12 VAL 14 2HG1 VAL 14 4.424 -10.259 -1.093 114 HG13 VAL 14 3HG1 VAL 14 3.498 -9.506 -2.429 115 HG21 VAL 14 1HG2 VAL 14 6.885 -9.507 -3.754 116 HG22 VAL 14 2HG2 VAL 14 5.478 -8.524 -3.288 117 HG23 VAL 14 3HG2 VAL 14 6.474 -9.270 -2.032 118 H GLN 15 H GLN 15 6.004 -12.769 -0.340 119 HA GLN 15 HA GLN 15 8.531 -11.549 0.382 120 HB2 GLN 15 2HB GLN 15 6.871 -13.747 1.678 121 HB3 GLN 15 1HB GLN 15 8.373 -13.088 2.358 122 HG2 GLN 15 2HG GLN 15 7.376 -10.809 2.328 123 HG3 GLN 15 1HG GLN 15 5.846 -11.493 1.766 124 HE21 GLN 15 1HE2 GLN 15 5.635 -11.075 5.470 125 HE22 GLN 15 2HE2 GLN 15 5.762 -10.060 4.055 126 H LYS 16 H LYS 16 7.597 -14.625 -1.176 127 HA LYS 16 HA LYS 16 10.237 -15.804 -0.794 128 HB2 LYS 16 2HB LYS 16 7.903 -16.579 -2.606 129 HB3 LYS 16 1HB LYS 16 9.333 -17.553 -2.301 130 HG2 LYS 16 2HG LYS 16 7.147 -16.825 -0.336 131 HG3 LYS 16 1HG LYS 16 7.568 -18.429 -0.958 132 HD2 LYS 16 2HD LYS 16 9.756 -18.276 0.239 133 HD3 LYS 16 1HD LYS 16 9.286 -16.668 0.841 134 HE2 LYS 16 2HE LYS 16 8.821 -18.285 2.578 135 HE3 LYS 16 1HE LYS 16 7.293 -17.661 1.930 136 HZ1 LYS 16 1HZ LYS 16 7.263 -20.047 2.199 137 HZ2 LYS 16 2HZ LYS 16 7.121 -19.658 0.607 138 HZ3 LYS 16 3HZ LYS 16 8.549 -20.224 1.190 139 H GLY 17 H GLY 17 8.875 -13.461 -2.895 140 HA2 GLY 17 2HA GLY 17 10.437 -12.201 -4.246 141 HA3 GLY 17 3HA GLY 17 11.246 -13.713 -4.686 142 H ASP 18 H ASP 18 7.924 -14.330 -4.652 143 HA ASP 18 HA ASP 18 7.783 -14.282 -7.572 144 HB2 ASP 18 2HB ASP 18 6.074 -15.303 -5.293 145 HB3 ASP 18 1HB ASP 18 5.373 -15.107 -6.892 146 H GLN 19 H GLN 19 7.940 -12.044 -8.020 147 HA GLN 19 HA GLN 19 6.188 -10.085 -6.904 148 HB2 GLN 19 2HB GLN 19 7.678 -10.202 -9.560 149 HB3 GLN 19 1HB GLN 19 6.904 -8.750 -8.905 150 HG2 GLN 19 2HG GLN 19 8.378 -8.832 -6.929 151 HG3 GLN 19 1HG GLN 19 9.148 -10.300 -7.549 152 HE21 GLN 19 1HE2 GLN 19 11.406 -7.539 -8.496 153 HE22 GLN 19 2HE2 GLN 19 10.867 -8.330 -7.026 154 H LYS 20 H LYS 20 5.586 -12.672 -9.092 155 HA LYS 20 HA LYS 20 3.557 -11.437 -10.696 156 HB2 LYS 20 2HB LYS 20 2.990 -13.747 -11.319 157 HB3 LYS 20 1HB LYS 20 4.725 -13.452 -11.363 158 HG2 LYS 20 2HG LYS 20 4.754 -15.463 -10.321 159 HG3 LYS 20 1HG LYS 20 4.645 -14.433 -8.886 160 HD2 LYS 20 2HD LYS 20 2.131 -14.759 -8.934 161 HD3 LYS 20 1HD LYS 20 2.350 -15.871 -10.296 162 HE2 LYS 20 2HE LYS 20 3.498 -16.184 -7.491 163 HE3 LYS 20 1HE LYS 20 2.139 -17.086 -8.171 164 HZ1 LYS 20 1HZ LYS 20 3.697 -17.934 -9.853 165 HZ2 LYS 20 2HZ LYS 20 4.940 -17.195 -9.061 166 HZ3 LYS 20 3HZ LYS 20 4.095 -18.387 -8.321 167 H ALA 21 H ALA 21 3.557 -12.814 -7.428 168 HA ALA 21 HA ALA 21 0.641 -12.822 -7.291 169 HB1 ALA 21 1HB ALA 21 1.985 -14.384 -5.937 170 HB2 ALA 21 2HB ALA 21 2.739 -13.001 -5.095 171 HB3 ALA 21 3HB ALA 21 1.003 -13.315 -4.910 172 H PHE 22 H PHE 22 3.333 -10.638 -6.316 173 HA PHE 22 HA PHE 22 1.682 -8.732 -4.994 174 HB2 PHE 22 2HB PHE 22 4.126 -8.856 -4.818 175 HB3 PHE 22 1HB PHE 22 4.286 -8.325 -6.490 176 HD1 PHE 22 1HD PHE 22 4.630 -6.015 -6.854 177 HD2 PHE 22 2HD PHE 22 2.603 -7.303 -3.283 178 HE1 PHE 22 1HE PHE 22 4.555 -3.667 -6.041 179 HE2 PHE 22 2HE PHE 22 2.535 -4.963 -2.479 180 HZ PHE 22 HZ PHE 22 3.502 -3.145 -3.860 181 H ASN 23 H ASN 23 2.494 -9.231 -8.466 182 HA ASN 23 HA ASN 23 1.475 -6.731 -9.388 183 HB2 ASN 23 2HB ASN 23 2.895 -8.299 -10.731 184 HB3 ASN 23 1HB ASN 23 1.554 -9.449 -10.775 185 HD21 ASN 23 1HD2 ASN 23 -0.196 -7.817 -13.371 186 HD22 ASN 23 2HD2 ASN 23 -0.173 -9.118 -12.201 187 H LEU 24 H LEU 24 -0.068 -9.912 -8.809 188 HA LEU 24 HA LEU 24 -2.630 -9.002 -9.842 189 HB2 LEU 24 2HB LEU 24 -1.843 -11.451 -8.216 190 HB3 LEU 24 1HB LEU 24 -3.384 -11.232 -9.067 191 HG LEU 24 HG LEU 24 -0.657 -11.221 -10.441 192 HD11 LEU 24 1HD1 LEU 24 -1.122 -13.385 -9.393 193 HD12 LEU 24 2HD1 LEU 24 -2.715 -13.450 -10.193 194 HD13 LEU 24 3HD1 LEU 24 -1.223 -13.492 -11.166 195 HD21 LEU 24 1HD2 LEU 24 -1.981 -11.546 -12.483 196 HD22 LEU 24 2HD2 LEU 24 -3.486 -11.382 -11.540 197 HD23 LEU 24 3HD2 LEU 24 -2.357 -10.008 -11.690 198 H LEU 25 H LEU 25 -0.941 -8.949 -6.801 199 HA LEU 25 HA LEU 25 -3.320 -8.590 -5.163 200 HB2 LEU 25 2HB LEU 25 -1.199 -9.705 -4.428 201 HB3 LEU 25 1HB LEU 25 -0.371 -8.140 -4.560 202 HG LEU 25 HG LEU 25 -1.941 -7.216 -2.829 203 HD11 LEU 25 1HD1 LEU 25 -2.819 -10.138 -2.693 204 HD12 LEU 25 2HD1 LEU 25 -3.236 -8.893 -1.494 205 HD13 LEU 25 3HD1 LEU 25 -3.849 -8.759 -3.154 206 HD21 LEU 25 1HD2 LEU 25 -0.914 -8.436 -0.959 207 HD22 LEU 25 2HD2 LEU 25 -0.448 -9.759 -2.059 208 HD23 LEU 25 3HD2 LEU 25 0.285 -8.149 -2.245 209 H VAL 26 H VAL 26 -0.958 -6.558 -6.863 210 HA VAL 26 HA VAL 26 -1.615 -4.097 -5.486 211 HB VAL 26 HB VAL 26 -0.121 -4.820 -8.018 212 HG11 VAL 26 1HG1 VAL 26 -1.255 -2.690 -8.532 213 HG12 VAL 26 2HG1 VAL 26 -0.731 -2.020 -6.972 214 HG13 VAL 26 3HG1 VAL 26 0.470 -2.413 -8.225 215 HG21 VAL 26 1HG2 VAL 26 0.921 -5.087 -5.735 216 HG22 VAL 26 2HG2 VAL 26 1.763 -3.913 -6.780 217 HG23 VAL 26 3HG2 VAL 26 0.689 -3.347 -5.478 218 H VAL 27 H VAL 27 -2.479 -5.344 -8.783 219 HA VAL 27 HA VAL 27 -4.104 -3.098 -9.394 220 HB VAL 27 HB VAL 27 -3.143 -4.724 -11.011 221 HG11 VAL 27 1HG1 VAL 27 -5.423 -6.527 -10.085 222 HG12 VAL 27 2HG1 VAL 27 -4.315 -6.839 -11.438 223 HG13 VAL 27 3HG1 VAL 27 -3.694 -6.806 -9.773 224 HG21 VAL 27 1HG2 VAL 27 -5.037 -4.729 -12.560 225 HG22 VAL 27 2HG2 VAL 27 -6.172 -4.446 -11.229 226 HG23 VAL 27 3HG2 VAL 27 -4.985 -3.192 -11.678 227 H ARG 28 H ARG 28 -4.766 -5.903 -7.438 228 HA ARG 28 HA ARG 28 -7.644 -5.839 -7.542 229 HB2 ARG 28 2HB ARG 28 -6.424 -7.818 -6.902 230 HB3 ARG 28 1HB ARG 28 -5.545 -6.942 -5.640 231 HG2 ARG 28 2HG ARG 28 -7.548 -6.693 -4.309 232 HG3 ARG 28 1HG ARG 28 -8.543 -7.440 -5.580 233 HD2 ARG 28 2HD ARG 28 -7.307 -9.557 -5.361 234 HD3 ARG 28 1HD ARG 28 -6.137 -8.797 -4.287 235 HE ARG 28 HE ARG 28 -7.451 -9.359 -2.557 236 HH11 ARG 28 1HH1 ARG 28 -9.644 -8.967 -5.314 237 HH12 ARG 28 2HH1 ARG 28 -11.061 -9.357 -4.360 238 HH21 ARG 28 1HH2 ARG 28 -9.260 -9.856 -1.391 239 HH22 ARG 28 2HH2 ARG 28 -10.850 -9.863 -2.133 240 H TYR 29 H TYR 29 -5.201 -4.563 -5.243 241 HA TYR 29 HA TYR 29 -7.302 -3.106 -3.796 242 HB2 TYR 29 2HB TYR 29 -4.376 -3.657 -3.308 243 HB3 TYR 29 1HB TYR 29 -5.264 -2.467 -2.364 244 HD1 TYR 29 1HD TYR 29 -5.298 -6.077 -3.381 245 HD2 TYR 29 2HD TYR 29 -6.715 -3.104 -0.613 246 HE1 TYR 29 1HE TYR 29 -6.308 -7.860 -2.001 247 HE2 TYR 29 2HE TYR 29 -7.733 -4.888 0.782 248 HH TYR 29 HH TYR 29 -7.562 -8.347 -0.104 249 H GLN 30 H GLN 30 -5.334 -2.517 -6.491 250 HA GLN 30 HA GLN 30 -4.519 0.154 -6.132 251 HB2 GLN 30 2HB GLN 30 -3.798 -1.352 -7.943 252 HB3 GLN 30 1HB GLN 30 -5.443 -1.393 -8.599 253 HG2 GLN 30 2HG GLN 30 -5.293 1.009 -9.111 254 HG3 GLN 30 1HG GLN 30 -3.631 1.043 -8.462 255 HE21 GLN 30 1HE2 GLN 30 -2.318 -1.019 -11.195 256 HE22 GLN 30 2HE2 GLN 30 -2.159 -0.775 -9.468 257 H HIS 31 H HIS 31 -7.721 -1.223 -6.750 258 HA HIS 31 HA HIS 31 -8.870 1.407 -7.389 259 HB2 HIS 31 2HB HIS 31 -10.163 -1.289 -6.854 260 HB3 HIS 31 1HB HIS 31 -10.988 0.152 -7.451 261 HD2 HIS 31 2HD HIS 31 -9.131 -2.868 -8.634 262 HE1 HIS 31 1HE HIS 31 -9.271 -0.301 -12.024 263 HE2 HIS 31 2HE HIS 31 -8.729 -2.657 -11.222 264 H LYS 32 H LYS 32 -8.403 -0.675 -4.556 265 HA LYS 32 HA LYS 32 -10.345 0.789 -2.920 266 HB2 LYS 32 2HB LYS 32 -8.063 -0.950 -1.939 267 HB3 LYS 32 1HB LYS 32 -9.610 -0.658 -1.143 268 HG2 LYS 32 2HG LYS 32 -9.199 -2.271 -3.701 269 HG3 LYS 32 1HG LYS 32 -9.292 -2.941 -2.080 270 HD2 LYS 32 2HD LYS 32 -11.380 -3.284 -3.081 271 HD3 LYS 32 1HD LYS 32 -11.610 -2.026 -1.849 272 HE2 LYS 32 2HE LYS 32 -11.586 -0.296 -3.612 273 HE3 LYS 32 1HE LYS 32 -11.264 -1.536 -4.837 274 HZ1 LYS 32 1HZ LYS 32 -13.680 -1.375 -3.155 275 HZ2 LYS 32 2HZ LYS 32 -13.587 -0.955 -4.741 276 HZ3 LYS 32 3HZ LYS 32 -13.386 -2.522 -4.291 277 H VAL 33 H VAL 33 -6.800 0.622 -3.193 278 HA VAL 33 HA VAL 33 -6.264 2.433 -1.057 279 HB VAL 33 HB VAL 33 -4.772 0.634 -2.077 280 HG11 VAL 33 1HG1 VAL 33 -3.381 1.241 -3.973 281 HG12 VAL 33 2HG1 VAL 33 -5.088 1.353 -4.471 282 HG13 VAL 33 3HG1 VAL 33 -4.169 2.830 -4.100 283 HG21 VAL 33 1HG2 VAL 33 -3.909 2.299 -0.479 284 HG22 VAL 33 2HG2 VAL 33 -2.703 1.890 -1.722 285 HG23 VAL 33 3HG2 VAL 33 -3.601 3.418 -1.841 286 H ALA 34 H ALA 34 -6.981 2.817 -4.486 287 HA ALA 34 HA ALA 34 -6.058 5.560 -4.643 288 HB1 ALA 34 1HB ALA 34 -7.896 3.942 -6.453 289 HB2 ALA 34 2HB ALA 34 -7.164 5.510 -6.848 290 HB3 ALA 34 3HB ALA 34 -6.129 4.085 -6.615 291 H SER 35 H SER 35 -9.100 3.923 -3.745 292 HA SER 35 HA SER 35 -10.738 6.276 -4.025 293 HB2 SER 35 2HB SER 35 -11.622 3.954 -3.940 294 HB3 SER 35 1HB SER 35 -11.078 3.817 -2.254 295 HG SER 35 HG SER 35 -13.284 4.432 -2.434 296 H LEU 36 H LEU 36 -8.558 5.022 -1.522 297 HA LEU 36 HA LEU 36 -9.527 6.732 0.580 298 HB2 LEU 36 2HB LEU 36 -8.143 4.604 0.840 299 HB3 LEU 36 1HB LEU 36 -6.749 5.519 0.260 300 HG LEU 36 HG LEU 36 -7.146 7.189 2.132 301 HD11 LEU 36 1HD1 LEU 36 -8.998 4.972 3.114 302 HD12 LEU 36 2HD1 LEU 36 -8.468 6.371 4.069 303 HD13 LEU 36 3HD1 LEU 36 -9.503 6.618 2.649 304 HD21 LEU 36 1HD2 LEU 36 -6.137 5.705 3.835 305 HD22 LEU 36 2HD2 LEU 36 -6.585 4.290 2.847 306 HD23 LEU 36 3HD2 LEU 36 -5.409 5.480 2.230 307 H VAL 37 H VAL 37 -6.760 6.944 -1.716 308 HA VAL 37 HA VAL 37 -5.949 9.467 -0.518 309 HB VAL 37 HB VAL 37 -4.297 7.818 -1.091 310 HG11 VAL 37 1HG1 VAL 37 -3.734 7.290 -3.418 311 HG12 VAL 37 2HG1 VAL 37 -5.390 6.761 -3.023 312 HG13 VAL 37 3HG1 VAL 37 -5.136 8.234 -3.983 313 HG21 VAL 37 1HG2 VAL 37 -2.720 9.219 -2.188 314 HG22 VAL 37 2HG2 VAL 37 -3.991 10.134 -3.027 315 HG23 VAL 37 3HG2 VAL 37 -3.806 10.302 -1.267 316 H SER 38 H SER 38 -7.961 8.597 -3.256 317 HA SER 38 HA SER 38 -7.549 10.958 -4.810 318 HB2 SER 38 2HB SER 38 -9.736 10.462 -5.774 319 HB3 SER 38 1HB SER 38 -8.792 8.968 -5.616 320 HG SER 38 HG SER 38 -10.948 8.750 -4.865 321 H ARG 39 H ARG 39 -8.989 10.509 -1.669 322 HA ARG 39 HA ARG 39 -10.634 12.906 -1.749 323 HB2 ARG 39 2HB ARG 39 -9.578 11.300 0.602 324 HB3 ARG 39 1HB ARG 39 -10.914 12.461 0.617 325 HG2 ARG 39 2HG ARG 39 -12.117 10.978 -1.052 326 HG3 ARG 39 1HG ARG 39 -10.835 9.771 -0.806 327 HD2 ARG 39 2HD ARG 39 -12.701 10.910 1.305 328 HD3 ARG 39 1HD ARG 39 -12.757 9.271 0.627 329 HE ARG 39 HE ARG 39 -10.170 9.705 1.727 330 HH11 ARG 39 1HH1 ARG 39 -13.526 9.253 2.736 331 HH12 ARG 39 2HH1 ARG 39 -13.104 8.647 4.319 332 HH21 ARG 39 1HH2 ARG 39 -9.640 8.950 3.825 333 HH22 ARG 39 2HH2 ARG 39 -10.907 8.427 4.910 334 H TYR 40 H TYR 40 -7.254 12.357 -1.500 335 HA TYR 40 HA TYR 40 -6.889 14.863 0.085 336 HB2 TYR 40 2HB TYR 40 -4.845 12.693 -0.398 337 HB3 TYR 40 1HB TYR 40 -4.791 13.983 0.799 338 HD1 TYR 40 1HD TYR 40 -4.743 10.745 0.838 339 HD2 TYR 40 2HD TYR 40 -7.530 13.803 1.989 340 HE1 TYR 40 1HE TYR 40 -5.798 9.166 2.433 341 HE2 TYR 40 2HE TYR 40 -8.581 12.240 3.613 342 HH TYR 40 HH TYR 40 -7.385 8.884 4.049 343 H VAL 41 H VAL 41 -6.124 13.228 -2.968 344 HA VAL 41 HA VAL 41 -4.797 15.744 -3.862 345 HB VAL 41 HB VAL 41 -3.209 14.531 -5.157 346 HG11 VAL 41 1HG1 VAL 41 -2.653 15.000 -2.786 347 HG12 VAL 41 2HG1 VAL 41 -3.290 13.401 -2.328 348 HG13 VAL 41 3HG1 VAL 41 -1.863 13.515 -3.367 349 HG21 VAL 41 1HG2 VAL 41 -4.492 12.564 -5.770 350 HG22 VAL 41 2HG2 VAL 41 -2.974 12.077 -5.000 351 HG23 VAL 41 3HG2 VAL 41 -4.497 12.006 -4.074 352 HA PRO 42 HA PRO 42 -7.667 15.778 -7.150 353 HB2 PRO 42 2HB PRO 42 -5.330 16.451 -8.932 354 HB3 PRO 42 1HB PRO 42 -6.899 17.308 -8.763 355 HG2 PRO 42 2HG PRO 42 -4.664 18.309 -7.585 356 HG3 PRO 42 1HG PRO 42 -6.216 18.276 -6.679 357 HD2 PRO 42 2HD PRO 42 -3.909 16.314 -6.547 358 HD3 PRO 42 1HD PRO 42 -4.799 17.110 -5.205 359 H SER 43 H SER 43 -8.390 14.567 -8.991 360 HA SER 43 HA SER 43 -7.410 11.904 -9.119 361 HB2 SER 43 2HB SER 43 -9.042 11.671 -10.967 362 HB3 SER 43 1HB SER 43 -9.738 12.490 -9.549 363 HG SER 43 HG SER 43 -10.215 13.557 -11.524 364 H GLY 44 H GLY 44 -6.232 14.762 -10.630 365 HA2 GLY 44 2HA GLY 44 -5.155 13.447 -13.010 366 HA3 GLY 44 3HA GLY 44 -4.862 15.109 -12.460 367 H ASP 45 H ASP 45 -4.198 13.736 -9.679 368 HA ASP 45 HA ASP 45 -1.415 12.947 -10.411 369 HB2 ASP 45 2HB ASP 45 -2.362 14.578 -8.018 370 HB3 ASP 45 1HB ASP 45 -0.708 14.054 -8.310 371 H VAL 46 H VAL 46 -4.332 11.912 -9.062 372 HA VAL 46 HA VAL 46 -3.356 10.645 -6.723 373 HB VAL 46 HB VAL 46 -5.717 11.271 -7.187 374 HG11 VAL 46 1HG1 VAL 46 -7.190 9.663 -8.239 375 HG12 VAL 46 2HG1 VAL 46 -6.015 10.272 -9.430 376 HG13 VAL 46 3HG1 VAL 46 -5.817 8.644 -8.720 377 HG21 VAL 46 1HG2 VAL 46 -6.624 9.351 -5.968 378 HG22 VAL 46 2HG2 VAL 46 -5.156 8.415 -6.333 379 HG23 VAL 46 3HG2 VAL 46 -5.052 9.886 -5.317 380 HA PRO 47 HA PRO 47 -2.958 6.606 -9.207 381 HB2 PRO 47 2HB PRO 47 -2.035 6.683 -11.772 382 HB3 PRO 47 1HB PRO 47 -3.783 6.810 -11.383 383 HG2 PRO 47 2HG PRO 47 -1.837 9.088 -11.872 384 HG3 PRO 47 1HG PRO 47 -3.425 8.812 -12.662 385 HD2 PRO 47 2HD PRO 47 -3.212 10.463 -10.558 386 HD3 PRO 47 1HD PRO 47 -4.607 9.346 -10.681 387 H ASP 48 H ASP 48 -0.927 9.462 -9.493 388 HA ASP 48 HA ASP 48 1.570 7.943 -9.674 389 HB2 ASP 48 2HB ASP 48 1.267 10.182 -10.683 390 HB3 ASP 48 1HB ASP 48 1.049 10.866 -9.065 391 H VAL 49 H VAL 49 -0.446 9.436 -7.127 392 HA VAL 49 HA VAL 49 1.551 9.024 -5.049 393 HB VAL 49 HB VAL 49 -1.446 9.523 -4.849 394 HG11 VAL 49 1HG1 VAL 49 0.804 9.826 -2.822 395 HG12 VAL 49 2HG1 VAL 49 -0.882 10.324 -2.570 396 HG13 VAL 49 3HG1 VAL 49 -0.496 8.601 -2.784 397 HG21 VAL 49 1HG2 VAL 49 -0.815 11.871 -4.403 398 HG22 VAL 49 2HG2 VAL 49 0.896 11.479 -4.698 399 HG23 VAL 49 3HG2 VAL 49 -0.296 11.384 -6.022 400 H VAL 50 H VAL 50 -1.100 7.192 -6.514 401 HA VAL 50 HA VAL 50 -1.297 5.183 -4.453 402 HB VAL 50 HB VAL 50 -2.171 5.410 -7.347 403 HG11 VAL 50 1HG1 VAL 50 -3.501 3.308 -6.928 404 HG12 VAL 50 2HG1 VAL 50 -1.754 3.040 -7.063 405 HG13 VAL 50 3HG1 VAL 50 -2.529 3.048 -5.460 406 HG21 VAL 50 1HG2 VAL 50 -4.395 5.494 -6.343 407 HG22 VAL 50 2HG2 VAL 50 -3.718 5.168 -4.727 408 HG23 VAL 50 3HG2 VAL 50 -3.362 6.699 -5.553 409 H GLN 51 H GLN 51 0.598 5.461 -7.518 410 HA GLN 51 HA GLN 51 1.561 2.746 -7.343 411 HB2 GLN 51 2HB GLN 51 1.369 4.025 -9.460 412 HB3 GLN 51 1HB GLN 51 2.545 5.203 -8.863 413 HG2 GLN 51 2HG GLN 51 3.654 3.667 -10.366 414 HG3 GLN 51 1HG GLN 51 4.255 3.406 -8.727 415 HE21 GLN 51 1HE2 GLN 51 3.825 -0.008 -9.865 416 HE22 GLN 51 2HE2 GLN 51 4.953 1.334 -9.911 417 H GLU 52 H GLU 52 2.729 5.926 -6.144 418 HA GLU 52 HA GLU 52 5.325 4.946 -5.434 419 HB2 GLU 52 2HB GLU 52 4.677 7.360 -5.640 420 HB3 GLU 52 1HB GLU 52 3.709 7.199 -4.163 421 HG2 GLU 52 2HG GLU 52 5.745 6.507 -2.912 422 HG3 GLU 52 1HG GLU 52 6.703 6.679 -4.388 423 H ALA 53 H ALA 53 2.126 4.880 -3.859 424 HA ALA 53 HA ALA 53 3.122 4.007 -1.299 425 HB1 ALA 53 1HB ALA 53 0.370 3.761 -2.584 426 HB2 ALA 53 2HB ALA 53 0.738 3.528 -0.858 427 HB3 ALA 53 3HB ALA 53 0.945 5.127 -1.605 428 H PHE 54 H PHE 54 2.338 2.379 -4.348 429 HA PHE 54 HA PHE 54 2.365 -0.275 -3.133 430 HB2 PHE 54 2HB PHE 54 2.142 0.856 -5.915 431 HB3 PHE 54 1HB PHE 54 2.484 -0.848 -5.691 432 HD1 PHE 54 1HD PHE 54 -0.078 1.170 -6.508 433 HD2 PHE 54 2HD PHE 54 0.857 -1.762 -3.505 434 HE1 PHE 54 1HE PHE 54 -2.487 0.667 -6.245 435 HE2 PHE 54 2HE PHE 54 -1.565 -2.260 -3.244 436 HZ PHE 54 HZ PHE 54 -3.230 -1.062 -4.614 437 H ILE 55 H ILE 55 4.721 1.881 -4.728 438 HA ILE 55 HA ILE 55 6.748 -0.194 -4.961 439 HB ILE 55 HB ILE 55 6.859 2.850 -4.877 440 HG12 ILE 55 2HG1 ILE 55 5.886 2.193 -6.924 441 HG13 ILE 55 1HG1 ILE 55 7.592 2.453 -7.300 442 HG21 ILE 55 1HG2 ILE 55 9.110 0.851 -5.307 443 HG22 ILE 55 2HG2 ILE 55 9.216 2.587 -5.670 444 HG23 ILE 55 3HG2 ILE 55 8.962 2.055 -3.998 445 HD11 ILE 55 1HD1 ILE 55 6.167 -0.207 -6.874 446 HD12 ILE 55 2HD1 ILE 55 6.836 0.427 -8.387 447 HD13 ILE 55 3HD1 ILE 55 7.936 -0.047 -7.067 448 H LYS 56 H LYS 56 5.783 2.121 -2.468 449 HA LYS 56 HA LYS 56 7.898 1.403 -0.626 450 HB2 LYS 56 2HB LYS 56 5.182 2.751 -0.334 451 HB3 LYS 56 1HB LYS 56 6.332 2.551 1.008 452 HG2 LYS 56 2HG LYS 56 8.011 3.842 -0.134 453 HG3 LYS 56 1HG LYS 56 7.065 3.911 -1.626 454 HD2 LYS 56 2HD LYS 56 5.414 5.327 -0.686 455 HD3 LYS 56 1HD LYS 56 5.959 5.025 0.975 456 HE2 LYS 56 2HE LYS 56 8.034 6.182 0.602 457 HE3 LYS 56 1HE LYS 56 7.695 6.368 -1.127 458 HZ1 LYS 56 1HZ LYS 56 5.901 7.800 -0.612 459 HZ2 LYS 56 2HZ LYS 56 6.052 7.541 1.013 460 HZ3 LYS 56 3HZ LYS 56 7.223 8.356 0.179 461 H ALA 57 H ALA 57 4.720 0.071 -1.448 462 HA ALA 57 HA ALA 57 4.472 -1.555 0.914 463 HB1 ALA 57 1HB ALA 57 3.257 -1.842 -1.859 464 HB2 ALA 57 2HB ALA 57 2.716 -2.689 -0.389 465 HB3 ALA 57 3HB ALA 57 2.556 -0.924 -0.503 466 H TYR 58 H TYR 58 6.058 -2.002 -2.281 467 HA TYR 58 HA TYR 58 6.444 -4.847 -1.936 468 HB2 TYR 58 2HB TYR 58 6.496 -3.787 -4.141 469 HB3 TYR 58 1HB TYR 58 7.855 -2.765 -3.641 470 HD1 TYR 58 1HD TYR 58 10.064 -3.489 -3.948 471 HD2 TYR 58 2HD TYR 58 6.856 -6.347 -4.108 472 HE1 TYR 58 1HE TYR 58 11.678 -5.248 -4.607 473 HE2 TYR 58 2HE TYR 58 8.463 -8.117 -4.775 474 HH TYR 58 HH TYR 58 11.969 -7.459 -5.140 475 H ARG 59 H ARG 59 8.500 -1.972 -1.495 476 HA ARG 59 HA ARG 59 10.856 -3.387 -0.693 477 HB2 ARG 59 2HB ARG 59 9.934 -0.517 -0.447 478 HB3 ARG 59 1HB ARG 59 11.584 -1.058 -0.055 479 HG2 ARG 59 2HG ARG 59 11.994 -1.782 -2.288 480 HG3 ARG 59 1HG ARG 59 10.286 -1.639 -2.752 481 HD2 ARG 59 2HD ARG 59 10.320 0.738 -2.535 482 HD3 ARG 59 1HD ARG 59 11.993 0.722 -1.913 483 HE ARG 59 HE ARG 59 11.861 -0.569 -4.473 484 HH11 ARG 59 1HH1 ARG 59 11.759 2.637 -2.976 485 HH12 ARG 59 2HH1 ARG 59 12.376 3.448 -4.394 486 HH21 ARG 59 1HH2 ARG 59 12.663 0.519 -6.314 487 HH22 ARG 59 2HH2 ARG 59 12.889 2.255 -6.274 488 H ALA 60 H ALA 60 7.960 -2.631 0.981 489 HA ALA 60 HA ALA 60 9.316 -3.237 3.571 490 HB1 ALA 60 1HB ALA 60 6.706 -1.763 3.076 491 HB2 ALA 60 2HB ALA 60 7.451 -2.077 4.659 492 HB3 ALA 60 3HB ALA 60 8.268 -1.015 3.481 493 H LEU 61 H LEU 61 7.535 -4.759 1.166 494 HA LEU 61 HA LEU 61 5.641 -6.158 2.829 495 HB2 LEU 61 2HB LEU 61 6.361 -6.020 0.019 496 HB3 LEU 61 1HB LEU 61 6.247 -7.707 0.520 497 HG LEU 61 HG LEU 61 4.091 -5.617 1.047 498 HD11 LEU 61 1HD1 LEU 61 4.374 -6.129 -1.350 499 HD12 LEU 61 2HD1 LEU 61 4.265 -7.870 -0.990 500 HD13 LEU 61 3HD1 LEU 61 2.854 -6.811 -0.718 501 HD21 LEU 61 1HD2 LEU 61 4.191 -8.633 1.394 502 HD22 LEU 61 2HD2 LEU 61 4.053 -7.431 2.701 503 HD23 LEU 61 3HD2 LEU 61 2.719 -7.637 1.550 504 H ASP 62 H ASP 62 9.023 -6.672 1.939 505 HA ASP 62 HA ASP 62 9.110 -9.340 3.085 506 HB2 ASP 62 2HB ASP 62 10.663 -8.519 1.308 507 HB3 ASP 62 1HB ASP 62 11.346 -7.369 2.464 508 H SER 63 H SER 63 8.680 -6.323 4.462 509 HA SER 63 HA SER 63 9.888 -7.193 7.048 510 HB2 SER 63 2HB SER 63 10.804 -5.101 6.048 511 HB3 SER 63 1HB SER 63 9.179 -4.387 6.109 512 HG SER 63 HG SER 63 10.432 -3.851 7.942 513 H PHE 64 H PHE 64 7.004 -6.792 5.277 514 HA PHE 64 HA PHE 64 5.184 -6.139 7.413 515 HB2 PHE 64 2HB PHE 64 4.598 -5.818 5.049 516 HB3 PHE 64 1HB PHE 64 4.885 -7.520 4.727 517 HD1 PHE 64 1HD PHE 64 2.736 -5.293 6.853 518 HD2 PHE 64 2HD PHE 64 3.107 -9.021 4.748 519 HE1 PHE 64 1HE PHE 64 0.357 -5.815 7.348 520 HE2 PHE 64 2HE PHE 64 0.730 -9.532 5.232 521 HZ PHE 64 HZ PHE 64 -0.639 -7.937 6.549 522 H ASP 65 H ASP 65 4.140 -7.409 8.828 523 HA ASP 65 HA ASP 65 4.950 -10.242 9.041 524 HB2 ASP 65 2HB ASP 65 3.334 -8.350 10.777 525 HB3 ASP 65 1HB ASP 65 3.561 -10.069 11.154 526 H ILE 66 H ILE 66 3.845 -11.684 7.872 527 HA ILE 66 HA ILE 66 1.456 -11.094 6.489 528 HB ILE 66 HB ILE 66 2.949 -12.770 5.692 529 HG12 ILE 66 2HG1 ILE 66 1.474 -14.756 5.430 530 HG13 ILE 66 1HG1 ILE 66 0.411 -14.140 6.693 531 HG21 ILE 66 1HG2 ILE 66 2.476 -14.253 8.303 532 HG22 ILE 66 2HG2 ILE 66 3.360 -14.890 6.887 533 HG23 ILE 66 3HG2 ILE 66 3.990 -13.486 7.756 534 HD11 ILE 66 1HD1 ILE 66 -0.418 -13.564 4.426 535 HD12 ILE 66 2HD1 ILE 66 -0.016 -12.096 5.340 536 HD13 ILE 66 3HD1 ILE 66 1.103 -12.705 4.093 537 H ASN 67 H ASN 67 1.974 -12.084 9.785 538 HA ASN 67 HA ASN 67 -0.624 -13.337 10.099 539 HB2 ASN 67 2HB ASN 67 1.373 -12.421 12.200 540 HB3 ASN 67 1HB ASN 67 0.036 -13.580 12.395 541 HD21 ASN 67 1HD2 ASN 67 1.675 -16.215 10.525 542 HD22 ASN 67 2HD2 ASN 67 0.099 -15.522 10.860 543 H ARG 68 H ARG 68 0.226 -10.193 9.667 544 HA ARG 68 HA ARG 68 -1.978 -9.104 11.355 545 HB2 ARG 68 2HB ARG 68 0.313 -7.749 9.899 546 HB3 ARG 68 1HB ARG 68 -0.912 -6.907 10.846 547 HG2 ARG 68 2HG ARG 68 1.148 -8.891 11.886 548 HG3 ARG 68 1HG ARG 68 1.109 -7.150 12.178 549 HD2 ARG 68 2HD ARG 68 -0.917 -9.201 13.168 550 HD3 ARG 68 1HD ARG 68 0.280 -8.348 14.140 551 HE ARG 68 HE ARG 68 -2.270 -7.313 13.130 552 HH11 ARG 68 1HH1 ARG 68 0.883 -6.464 14.494 553 HH12 ARG 68 2HH1 ARG 68 0.333 -4.906 15.071 554 HH21 ARG 68 1HH2 ARG 68 -2.943 -5.287 13.872 555 HH22 ARG 68 2HH2 ARG 68 -1.830 -4.239 14.708 556 H LYS 69 H LYS 69 -3.073 -7.134 10.170 557 HA LYS 69 HA LYS 69 -4.438 -8.293 7.923 558 HB2 LYS 69 2HB LYS 69 -5.396 -6.649 9.646 559 HB3 LYS 69 1HB LYS 69 -4.474 -5.389 8.813 560 HG2 LYS 69 2HG LYS 69 -6.676 -5.316 7.930 561 HG3 LYS 69 1HG LYS 69 -5.680 -6.055 6.669 562 HD2 LYS 69 2HD LYS 69 -6.489 -8.280 7.260 563 HD3 LYS 69 1HD LYS 69 -7.322 -7.637 8.698 564 HE2 LYS 69 2HE LYS 69 -7.947 -6.841 5.834 565 HE3 LYS 69 1HE LYS 69 -8.865 -8.031 6.782 566 HZ1 LYS 69 1HZ LYS 69 -9.885 -5.866 6.887 567 HZ2 LYS 69 2HZ LYS 69 -9.311 -6.281 8.378 568 HZ3 LYS 69 3HZ LYS 69 -8.503 -5.185 7.468 569 H PHE 70 H PHE 70 -4.021 -8.154 5.798 570 HA PHE 70 HA PHE 70 -1.645 -6.819 4.829 571 HB2 PHE 70 2HB PHE 70 -2.726 -7.592 2.583 572 HB3 PHE 70 1HB PHE 70 -2.130 -8.797 3.721 573 HD1 PHE 70 1HD PHE 70 -5.247 -7.171 2.464 574 HD2 PHE 70 2HD PHE 70 -3.529 -10.403 4.724 575 HE1 PHE 70 1HE PHE 70 -7.464 -8.274 2.582 576 HE2 PHE 70 2HE PHE 70 -5.743 -11.510 4.824 577 HZ PHE 70 HZ PHE 70 -7.712 -10.443 3.754 578 H SER 71 H SER 71 -5.155 -6.065 4.775 579 HA SER 71 HA SER 71 -4.730 -3.952 2.816 580 HB2 SER 71 2HB SER 71 -7.167 -3.608 3.064 581 HB3 SER 71 1HB SER 71 -6.710 -5.291 2.711 582 HG SER 71 HG SER 71 -8.260 -5.094 4.409 583 H THR 72 H THR 72 -5.385 -4.070 6.359 584 HA THR 72 HA THR 72 -5.780 -1.246 6.637 585 HB THR 72 HB THR 72 -4.791 -3.372 8.559 586 HG1 THR 72 1HG THR 72 -6.965 -3.422 9.138 587 HG21 THR 72 1HG2 THR 72 -4.243 -1.142 9.447 588 HG22 THR 72 2HG2 THR 72 -5.915 -0.599 9.145 589 HG23 THR 72 3HG2 THR 72 -5.591 -1.866 10.354 590 H TRP 73 H TRP 73 -2.883 -3.307 6.563 591 HA TRP 73 HA TRP 73 -1.045 -1.184 7.320 592 HB2 TRP 73 2HB TRP 73 -0.492 -3.443 7.814 593 HB3 TRP 73 1HB TRP 73 -0.805 -3.951 6.155 594 HD1 TRP 73 HD TRP 73 1.879 -2.247 8.283 595 HE1 TRP 73 1HE TRP 73 4.105 -2.354 7.047 596 HE3 TRP 73 3HE TRP 73 0.177 -3.850 3.747 597 HZ2 TRP 73 2HZ TRP 73 5.056 -3.155 4.418 598 HZ3 TRP 73 3HZ TRP 73 1.750 -4.220 1.882 599 HH2 TRP 73 HH TRP 73 4.195 -3.879 2.209 600 H LEU 74 H LEU 74 -2.536 -2.373 4.331 601 HA LEU 74 HA LEU 74 -0.654 -1.024 2.576 602 HB2 LEU 74 2HB LEU 74 -1.901 -3.013 1.830 603 HB3 LEU 74 1HB LEU 74 -3.431 -2.189 2.134 604 HG LEU 74 HG LEU 74 -2.981 -0.557 0.380 605 HD11 LEU 74 1HD1 LEU 74 -0.380 -2.076 -0.094 606 HD12 LEU 74 2HD1 LEU 74 -1.057 -0.807 -1.143 607 HD13 LEU 74 3HD1 LEU 74 -0.527 -0.405 0.502 608 HD21 LEU 74 1HD2 LEU 74 -4.064 -2.704 -0.195 609 HD22 LEU 74 2HD2 LEU 74 -3.091 -2.078 -1.547 610 HD23 LEU 74 3HD2 LEU 74 -2.471 -3.411 -0.548 611 H TYR 75 H TYR 75 -3.927 -0.306 3.865 612 HA TYR 75 HA TYR 75 -4.256 2.097 2.310 613 HB2 TYR 75 2HB TYR 75 -5.564 1.202 4.908 614 HB3 TYR 75 1HB TYR 75 -6.145 2.493 3.866 615 HD1 TYR 75 1HD TYR 75 -5.735 1.109 1.148 616 HD2 TYR 75 2HD TYR 75 -7.392 -0.264 4.877 617 HE1 TYR 75 1HE TYR 75 -7.142 -0.528 -0.081 618 HE2 TYR 75 2HE TYR 75 -8.805 -1.891 3.652 619 HH TYR 75 HH TYR 75 -8.713 -2.194 0.086 620 H ARG 76 H ARG 76 -2.705 1.345 5.381 621 HA ARG 76 HA ARG 76 -2.587 4.039 6.400 622 HB2 ARG 76 2HB ARG 76 -2.366 2.073 7.818 623 HB3 ARG 76 1HB ARG 76 -0.976 1.502 6.896 624 HG2 ARG 76 2HG ARG 76 -0.336 2.505 9.051 625 HG3 ARG 76 1HG ARG 76 0.393 3.355 7.682 626 HD2 ARG 76 2HD ARG 76 -1.197 5.159 7.860 627 HD3 ARG 76 1HD ARG 76 -2.167 4.258 9.052 628 HE ARG 76 HE ARG 76 -0.010 4.357 10.476 629 HH11 ARG 76 1HH1 ARG 76 -1.032 6.926 8.267 630 HH12 ARG 76 2HH1 ARG 76 -0.245 8.185 9.193 631 HH21 ARG 76 1HH2 ARG 76 1.011 6.004 11.640 632 HH22 ARG 76 2HH2 ARG 76 0.908 7.665 11.103 633 H ILE 77 H ILE 77 -0.631 2.155 4.128 634 HA ILE 77 HA ILE 77 1.642 3.978 4.231 635 HB ILE 77 HB ILE 77 0.827 1.653 2.463 636 HG12 ILE 77 2HG1 ILE 77 2.999 2.122 4.548 637 HG13 ILE 77 1HG1 ILE 77 1.512 1.221 4.811 638 HG21 ILE 77 1HG2 ILE 77 3.384 3.311 2.302 639 HG22 ILE 77 2HG2 ILE 77 3.062 1.797 1.422 640 HG23 ILE 77 3HG2 ILE 77 2.095 3.225 1.068 641 HD11 ILE 77 1HD1 ILE 77 2.209 -0.421 3.061 642 HD12 ILE 77 2HD1 ILE 77 3.763 0.449 2.908 643 HD13 ILE 77 3HD1 ILE 77 3.323 -0.339 4.440 644 H ALA 78 H ALA 78 -1.290 3.609 2.228 645 HA ALA 78 HA ALA 78 -0.303 5.414 0.182 646 HB1 ALA 78 1HB ALA 78 -2.573 5.187 -0.714 647 HB2 ALA 78 2HB ALA 78 -1.889 3.606 -0.267 648 HB3 ALA 78 3HB ALA 78 -3.096 4.380 0.785 649 H VAL 79 H VAL 79 -2.189 5.840 3.189 650 HA VAL 79 HA VAL 79 -2.947 8.544 2.394 651 HB VAL 79 HB VAL 79 -4.412 7.269 3.830 652 HG11 VAL 79 1HG1 VAL 79 -2.715 5.930 5.019 653 HG12 VAL 79 2HG1 VAL 79 -2.195 7.390 5.909 654 HG13 VAL 79 3HG1 VAL 79 -3.837 6.741 6.135 655 HG21 VAL 79 1HG2 VAL 79 -4.824 8.958 5.532 656 HG22 VAL 79 2HG2 VAL 79 -3.156 9.553 5.412 657 HG23 VAL 79 3HG2 VAL 79 -4.284 9.775 4.050 658 H ASN 80 H ASN 80 -0.315 7.034 4.298 659 HA ASN 80 HA ASN 80 0.625 9.638 5.180 660 HB2 ASN 80 2HB ASN 80 0.981 7.388 6.356 661 HB3 ASN 80 1HB ASN 80 2.181 7.025 5.111 662 HD21 ASN 80 1HD2 ASN 80 4.294 8.360 7.724 663 HD22 ASN 80 2HD2 ASN 80 3.540 6.886 7.152 664 H THR 81 H THR 81 1.197 7.506 2.403 665 HA THR 81 HA THR 81 3.431 9.005 1.336 666 HB THR 81 HB THR 81 1.351 7.160 0.091 667 HG1 THR 81 1HG THR 81 2.790 6.121 1.400 668 HG21 THR 81 1HG2 THR 81 3.814 8.432 -1.173 669 HG22 THR 81 2HG2 THR 81 2.926 7.041 -1.847 670 HG23 THR 81 3HG2 THR 81 2.121 8.613 -1.692 671 H ALA 82 H ALA 82 -0.080 9.408 1.391 672 HA ALA 82 HA ALA 82 -0.140 11.423 -0.689 673 HB1 ALA 82 1HB ALA 82 -2.443 11.710 0.031 674 HB2 ALA 82 2HB ALA 82 -2.064 9.966 -0.003 675 HB3 ALA 82 3HB ALA 82 -2.114 10.839 1.546 676 H LYS 83 H LYS 83 0.061 11.451 2.931 677 HA LYS 83 HA LYS 83 -0.313 14.289 3.116 678 HB2 LYS 83 2HB LYS 83 1.193 12.441 5.019 679 HB3 LYS 83 1HB LYS 83 0.585 14.061 5.355 680 HG2 LYS 83 2HG LYS 83 -0.844 11.467 5.342 681 HG3 LYS 83 1HG LYS 83 -1.026 12.877 6.375 682 HD2 LYS 83 2HD LYS 83 -2.166 14.039 4.389 683 HD3 LYS 83 1HD LYS 83 -2.166 12.428 3.602 684 HE2 LYS 83 2HE LYS 83 -3.334 11.486 5.559 685 HE3 LYS 83 1HE LYS 83 -3.406 13.091 6.301 686 HZ1 LYS 83 1HZ LYS 83 -5.433 12.569 5.161 687 HZ2 LYS 83 2HZ LYS 83 -4.700 13.840 4.426 688 HZ3 LYS 83 3HZ LYS 83 -4.648 12.349 3.733 689 H ASN 84 H ASN 84 2.534 12.227 2.527 690 HA ASN 84 HA ASN 84 4.403 14.415 2.934 691 HB2 ASN 84 2HB ASN 84 4.678 11.669 1.650 692 HB3 ASN 84 1HB ASN 84 6.022 12.787 1.926 693 HD21 ASN 84 1HD2 ASN 84 6.081 10.427 4.764 694 HD22 ASN 84 2HD2 ASN 84 6.339 10.378 3.033 695 H TYR 85 H TYR 85 2.526 13.142 0.191 696 HA TYR 85 HA TYR 85 4.070 14.595 -1.795 697 HB2 TYR 85 2HB TYR 85 2.772 12.621 -2.384 698 HB3 TYR 85 1HB TYR 85 1.291 13.373 -1.807 699 HD1 TYR 85 1HD TYR 85 -0.035 14.701 -3.217 700 HD2 TYR 85 2HD TYR 85 4.004 13.776 -4.383 701 HE1 TYR 85 1HE TYR 85 -0.460 15.674 -5.462 702 HE2 TYR 85 2HE TYR 85 3.573 14.732 -6.632 703 HH TYR 85 HH TYR 85 0.424 16.173 -7.512 704 H LEU 86 H LEU 86 1.225 15.227 0.253 705 HA LEU 86 HA LEU 86 0.494 17.710 -1.015 706 HB2 LEU 86 2HB LEU 86 0.046 16.516 1.741 707 HB3 LEU 86 1HB LEU 86 -0.631 18.078 1.279 708 HG LEU 86 HG LEU 86 -1.167 15.461 -0.207 709 HD11 LEU 86 1HD1 LEU 86 -2.177 15.468 2.043 710 HD12 LEU 86 2HD1 LEU 86 -2.916 17.055 1.713 711 HD13 LEU 86 3HD1 LEU 86 -3.426 15.626 0.791 712 HD21 LEU 86 1HD2 LEU 86 -2.388 18.239 -0.476 713 HD22 LEU 86 2HD2 LEU 86 -1.368 17.412 -1.682 714 HD23 LEU 86 3HD2 LEU 86 -2.969 16.769 -1.294 715 H VAL 87 H VAL 87 2.962 16.824 1.351 716 HA VAL 87 HA VAL 87 3.610 19.605 1.979 717 HB VAL 87 HB VAL 87 5.065 16.970 2.419 718 HG11 VAL 87 1HG1 VAL 87 5.729 19.772 3.418 719 HG12 VAL 87 2HG1 VAL 87 6.510 18.275 3.975 720 HG13 VAL 87 3HG1 VAL 87 6.715 18.802 2.295 721 HG21 VAL 87 1HG2 VAL 87 3.647 18.837 4.361 722 HG22 VAL 87 2HG2 VAL 87 2.934 17.356 3.694 723 HG23 VAL 87 3HG2 VAL 87 4.370 17.251 4.732 724 H ALA 88 H ALA 88 4.630 17.105 -0.348 725 HA ALA 88 HA ALA 88 6.914 18.560 -1.305 726 HB1 ALA 88 1HB ALA 88 6.631 16.101 -1.525 727 HB2 ALA 88 2HB ALA 88 5.257 16.373 -2.627 728 HB3 ALA 88 3HB ALA 88 6.893 16.876 -3.099 729 H GLN 89 H GLN 89 3.469 18.874 -1.862 730 HA GLN 89 HA GLN 89 4.103 20.702 -4.117 731 HB2 GLN 89 2HB GLN 89 1.368 19.634 -3.380 732 HB3 GLN 89 1HB GLN 89 1.829 20.557 -4.822 733 HG2 GLN 89 2HG GLN 89 2.691 17.725 -4.110 734 HG3 GLN 89 1HG GLN 89 1.584 18.200 -5.393 735 HE21 GLN 89 1HE2 GLN 89 5.113 17.482 -6.653 736 HE22 GLN 89 2HE2 GLN 89 4.027 16.627 -5.580 737 H GLY 90 H GLY 90 3.501 20.713 -0.796 738 HA2 GLY 90 2HA GLY 90 2.094 23.290 -0.729 739 HA3 GLY 90 3HA GLY 90 2.728 22.361 0.645 740 H ARG 91 H ARG 91 5.335 22.160 -1.090 741 HA ARG 91 HA ARG 91 6.451 24.766 -0.210 742 HB2 ARG 91 2HB ARG 91 7.799 22.075 -0.619 743 HB3 ARG 91 1HB ARG 91 8.617 23.574 -0.123 744 HG2 ARG 91 2HG ARG 91 7.168 23.715 1.872 745 HG3 ARG 91 1HG ARG 91 6.367 22.199 1.414 746 HD2 ARG 91 2HD ARG 91 8.514 21.002 1.536 747 HD3 ARG 91 1HD ARG 91 9.343 22.507 1.979 748 HE ARG 91 HE ARG 91 7.283 22.209 3.840 749 HH11 ARG 91 1HH1 ARG 91 10.135 20.370 2.851 750 HH12 ARG 91 2HH1 ARG 91 10.362 19.650 4.426 751 HH21 ARG 91 1HH2 ARG 91 7.607 21.260 5.890 752 HH22 ARG 91 2HH2 ARG 91 8.931 20.143 6.136 753 H ARG 92 H ARG 92 5.091 24.021 -2.893 754 HA ARG 92 HA ARG 92 7.032 23.929 -4.955 755 HB2 ARG 92 2HB ARG 92 4.216 25.076 -4.797 756 HB3 ARG 92 1HB ARG 92 5.154 25.055 -6.295 757 HG2 ARG 92 2HG ARG 92 5.382 22.575 -6.109 758 HG3 ARG 92 1HG ARG 92 4.433 22.614 -4.614 759 HD2 ARG 92 2HD ARG 92 2.951 21.997 -6.413 760 HD3 ARG 92 1HD ARG 92 2.536 23.637 -5.900 761 HE ARG 92 HE ARG 92 3.279 24.473 -7.959 762 HH11 ARG 92 1HH1 ARG 92 4.141 21.046 -7.659 763 HH12 ARG 92 2HH1 ARG 92 4.604 20.903 -9.338 764 HH21 ARG 92 1HH2 ARG 92 3.880 24.244 -10.136 765 HH22 ARG 92 2HH2 ARG 92 4.454 22.704 -10.735 766 H LEU 93 H LEU 93 6.092 26.568 -2.878 767 HA LEU 93 HA LEU 93 7.768 28.436 -4.468 768 HB2 LEU 93 2HB LEU 93 4.984 28.891 -3.349 769 HB3 LEU 93 1HB LEU 93 6.031 30.206 -3.906 770 HG LEU 93 HG LEU 93 5.062 27.893 -5.637 771 HD11 LEU 93 1HD1 LEU 93 4.205 30.810 -5.505 772 HD12 LEU 93 2HD1 LEU 93 3.617 29.598 -6.675 773 HD13 LEU 93 3HD1 LEU 93 3.247 29.417 -4.948 774 HD21 LEU 93 1HD2 LEU 93 6.558 30.468 -6.316 775 HD22 LEU 93 2HD2 LEU 93 7.218 28.818 -6.440 776 HD23 LEU 93 3HD2 LEU 93 5.896 29.323 -7.503 777 H GLU 94 H GLU 94 7.932 26.757 -1.853 778 HA GLU 94 HA GLU 94 8.414 28.970 0.060 779 HB2 GLU 94 2HB GLU 94 6.936 26.993 0.631 780 HB3 GLU 94 1HB GLU 94 8.375 25.969 0.545 781 HG2 GLU 94 2HG GLU 94 7.848 26.584 2.857 782 HG3 GLU 94 1HG GLU 94 9.405 27.257 2.387 783 H LEU 95 H LEU 95 10.058 27.252 -2.276 784 HA LEU 95 HA LEU 95 12.612 27.115 -0.763 785 HB2 LEU 95 2HB LEU 95 11.825 26.021 -3.490 786 HB3 LEU 95 1HB LEU 95 13.389 25.782 -2.698 787 HG LEU 95 HG LEU 95 10.705 24.807 -1.635 788 HD11 LEU 95 1HD1 LEU 95 13.058 23.330 -2.891 789 HD12 LEU 95 2HD1 LEU 95 11.607 22.569 -2.200 790 HD13 LEU 95 3HD1 LEU 95 11.467 23.598 -3.644 791 HD21 LEU 95 1HD2 LEU 95 12.282 25.285 0.197 792 HD22 LEU 95 2HD2 LEU 95 12.106 23.535 -0.019 793 HD23 LEU 95 3HD2 LEU 95 13.555 24.366 -0.635 794 H5' GNG 96 H5T DG 96 11.222 2.988 5.524 795 H5'1 GNG 96 1H5* DG 96 11.834 3.315 7.708 796 H5'2 GNG 96 2H5* DG 96 11.632 1.604 7.291 797 H4' GNG 96 H4* DG 96 10.588 2.035 9.425 798 H1' GNG 96 H1* DG 96 7.435 3.681 9.111 799 H8 GNG 96 8H DG 96 8.358 4.202 5.420 800 HN21 GNG 96 1H2 DG 96 6.320 9.103 10.677 801 HN22 GNG 96 2H2 DG 96 6.675 7.524 11.344 802 H2'1 GNG 96 1H2* DG 96 8.152 2.462 6.462 803 H2'2 GNG 96 2H2* DG 96 6.916 1.976 7.654 804 H3' GNG 96 H3* DG 96 9.315 0.671 7.452 805 HN1 GNG 96 1H DG 96 6.480 9.512 8.494 806 H5' DT 97 1H5* DT 97 6.381 1.945 10.649 807 H5'' DT 97 2H5* DT 97 5.310 0.643 11.187 808 H4' DT 97 H4* DT 97 4.097 2.779 10.907 809 H3' DT 97 H3* DT 97 3.146 0.341 9.980 810 H2' DT 97 1H2* DT 97 3.869 0.627 7.747 811 H2'' DT 97 2H2* DT 97 2.203 1.292 7.639 812 H1' DT 97 H1* DT 97 2.918 3.507 8.023 813 H3 DT 97 3H DT 97 4.814 5.455 4.430 814 H71 DT 97 1H7 DT 97 6.118 1.004 3.132 815 H72 DT 97 2H7 DT 97 7.571 1.533 3.994 816 H73 DT 97 3H7 DT 97 6.509 0.312 4.732 817 H6 DT 97 6H DT 97 5.202 1.087 6.392 818 H5' DA 98 1H5* DA 98 -0.360 0.429 9.746 819 H5'' DA 98 2H5* DA 98 -1.271 1.274 11.011 820 H4' DA 98 H4* DA 98 -2.354 -0.801 10.770 821 H3' DA 98 H3* DA 98 -1.355 -0.162 13.216 822 H2' DA 98 1H2* DA 98 0.723 -1.254 13.088 823 H2'' DA 98 2H2* DA 98 -0.226 -2.615 13.740 824 H1' DA 98 H1* DA 98 -0.401 -3.660 11.695 825 H8 DA 98 8H DA 98 2.332 -0.912 11.823 826 H61 DA 98 1H6 DA 98 5.991 -5.176 9.179 827 H62 DA 98 2H6 DA 98 5.939 -3.563 9.871 828 H2 DA 98 2H DA 98 1.849 -6.782 9.311 829 H5' DA 99 1H5* DA 99 -4.782 -3.142 12.442 830 H5'' DA 99 2H5* DA 99 -5.476 -1.714 13.226 831 H4' DA 99 H4* DA 99 -6.265 -4.564 14.009 832 H3' DA 99 H3* DA 99 -6.723 -3.766 11.505 833 H2' DA 99 1H2* DA 99 -7.491 -1.601 11.796 834 H2'' DA 99 2H2* DA 99 -9.082 -2.389 11.995 835 H1' DA 99 H1* DA 99 -9.109 -1.930 14.241 836 H8 DA 99 8H DA 99 -7.491 0.347 12.143 837 H61 DA 99 1H6 DA 99 -5.386 3.633 16.971 838 H62 DA 99 2H6 DA 99 -5.662 3.654 15.238 839 H2 DA 99 2H DA 99 -6.729 -0.319 18.475 840 H5' DA 100 1H5* DA 100 -11.191 -3.848 12.224 841 H5'' DA 100 2H5* DA 100 -11.732 -5.171 11.161 842 H4' DA 100 H4* DA 100 -13.192 -3.439 10.582 843 H3' DA 100 H3* DA 100 -11.336 -4.221 8.646 844 H2' DA 100 1H2* DA 100 -9.928 -2.344 8.995 845 H2'' DA 100 2H2* DA 100 -10.958 -1.726 7.663 846 H1' DA 100 H1* DA 100 -12.492 -0.721 9.243 847 H8 DA 100 8H DA 100 -8.706 -0.831 9.606 848 H61 DA 100 1H6 DA 100 -9.163 5.036 11.625 849 H62 DA 100 2H6 DA 100 -8.043 3.773 11.142 850 H2 DA 100 2H DA 100 -13.251 3.361 11.301 851 H5' DA 101 1H5* DA 101 -11.795 -1.017 5.803 852 H5'' DA 101 2H5* DA 101 -12.787 -0.528 7.190 853 H4' DA 101 H4* DA 101 -14.473 0.379 5.473 854 H3' DA 101 H3* DA 101 -13.112 -0.875 3.528 855 HO3' DA 101 H3T DA 101 -13.699 0.836 2.123 856 H2' DA 101 1H2* DA 101 -10.937 -0.097 3.993 857 H2'' DA 101 2H2* DA 101 -11.418 1.164 2.825 858 H1' DA 101 H1* DA 101 -11.696 2.747 4.464 859 H8 DA 101 8H DA 101 -9.808 -0.393 5.723 860 H61 DA 101 1H6 DA 101 -6.277 3.688 8.787 861 H62 DA 101 2H6 DA 101 -6.469 1.995 8.356 862 H2 DA 101 2H DA 101 -9.694 5.887 7.038 Start of MODEL 12 1 H1 MET 1 1H MET 1 -16.174 -18.167 -0.325 2 H2 MET 1 2H MET 1 -14.894 -19.153 -0.002 3 H3 MET 1 3H MET 1 -16.352 -19.802 -0.413 4 HA MET 1 HA MET 1 -16.242 -18.900 -2.590 5 HB2 MET 1 2HB MET 1 -14.250 -17.757 -3.381 6 HB3 MET 1 1HB MET 1 -14.945 -16.884 -2.012 7 HG2 MET 1 2HG MET 1 -13.260 -17.909 -0.503 8 HG3 MET 1 1HG MET 1 -12.583 -18.804 -1.869 9 HE1 MET 1 1HE MET 1 -10.895 -17.045 0.119 10 HE2 MET 1 2HE MET 1 -10.184 -17.925 -1.258 11 HE3 MET 1 3HE MET 1 -9.803 -16.203 -1.003 12 H SER 2 H SER 2 -14.717 -19.778 -4.365 13 HA SER 2 HA SER 2 -13.458 -22.314 -3.443 14 HB2 SER 2 2HB SER 2 -15.279 -21.933 -5.845 15 HB3 SER 2 1HB SER 2 -14.441 -23.433 -5.398 16 HG SER 2 HG SER 2 -16.600 -23.372 -4.622 17 H GLU 3 H GLU 3 -12.462 -19.528 -4.364 18 HA GLU 3 HA GLU 3 -11.172 -20.080 -6.912 19 HB2 GLU 3 2HB GLU 3 -10.781 -17.819 -4.912 20 HB3 GLU 3 1HB GLU 3 -10.147 -17.858 -6.565 21 HG2 GLU 3 2HG GLU 3 -13.090 -17.890 -5.776 22 HG3 GLU 3 1HG GLU 3 -12.196 -16.509 -6.426 23 H GLN 4 H GLN 4 -10.540 -21.149 -3.826 24 HA GLN 4 HA GLN 4 -8.843 -22.132 -2.767 25 HB2 GLN 4 2HB GLN 4 -7.552 -22.265 -5.501 26 HB3 GLN 4 1HB GLN 4 -7.109 -23.233 -4.085 27 HG2 GLN 4 2HG GLN 4 -9.399 -24.205 -4.038 28 HG3 GLN 4 1HG GLN 4 -9.818 -23.274 -5.484 29 HE21 GLN 4 1HE2 GLN 4 -8.966 -26.593 -6.786 30 HE22 GLN 4 2HE2 GLN 4 -10.253 -25.800 -5.903 31 H LEU 5 H LEU 5 -8.113 -19.171 -4.418 32 HA LEU 5 HA LEU 5 -5.621 -18.864 -2.795 33 HB2 LEU 5 2HB LEU 5 -6.462 -17.801 -5.503 34 HB3 LEU 5 1HB LEU 5 -5.187 -17.035 -4.554 35 HG LEU 5 HG LEU 5 -4.250 -18.483 -6.247 36 HD11 LEU 5 1HD1 LEU 5 -3.854 -19.704 -3.486 37 HD12 LEU 5 2HD1 LEU 5 -2.733 -19.788 -4.853 38 HD13 LEU 5 3HD1 LEU 5 -3.064 -18.220 -4.086 39 HD21 LEU 5 1HD2 LEU 5 -5.499 -20.872 -4.859 40 HD22 LEU 5 2HD2 LEU 5 -6.110 -20.149 -6.374 41 HD23 LEU 5 3HD2 LEU 5 -4.477 -20.859 -6.304 42 H THR 6 H THR 6 -5.437 -17.174 -1.476 43 HA THR 6 HA THR 6 -7.606 -15.132 -1.425 44 HB THR 6 HB THR 6 -7.940 -16.714 0.404 45 HG1 THR 6 1HG THR 6 -7.854 -15.199 2.059 46 HG21 THR 6 1HG2 THR 6 -5.079 -15.998 1.194 47 HG22 THR 6 2HG2 THR 6 -6.227 -16.916 2.200 48 HG23 THR 6 3HG2 THR 6 -5.664 -17.589 0.663 49 H ASP 7 H ASP 7 -6.776 -13.157 -0.020 50 HA ASP 7 HA ASP 7 -4.424 -12.170 -1.368 51 HB2 ASP 7 2HB ASP 7 -6.026 -11.151 1.008 52 HB3 ASP 7 1HB ASP 7 -4.730 -10.238 0.226 53 H GLN 8 H GLN 8 -4.911 -13.984 1.589 54 HA GLN 8 HA GLN 8 -2.595 -13.079 2.994 55 HB2 GLN 8 2HB GLN 8 -4.584 -14.466 3.844 56 HB3 GLN 8 1HB GLN 8 -3.783 -15.867 3.109 57 HG2 GLN 8 2HG GLN 8 -1.746 -15.391 4.451 58 HG3 GLN 8 1HG GLN 8 -2.584 -14.037 5.227 59 HE21 GLN 8 1HE2 GLN 8 -2.938 -16.756 7.644 60 HE22 GLN 8 2HE2 GLN 8 -1.730 -15.626 7.060 61 H VAL 9 H VAL 9 -3.121 -15.728 0.614 62 HA VAL 9 HA VAL 9 -0.384 -16.690 0.904 63 HB VAL 9 HB VAL 9 -2.141 -18.276 0.447 64 HG11 VAL 9 1HG1 VAL 9 -2.712 -16.623 -2.035 65 HG12 VAL 9 2HG1 VAL 9 -3.435 -18.210 -1.654 66 HG13 VAL 9 3HG1 VAL 9 -3.743 -16.817 -0.592 67 HG21 VAL 9 1HG2 VAL 9 -1.284 -19.406 -1.535 68 HG22 VAL 9 2HG2 VAL 9 -0.522 -17.909 -2.110 69 HG23 VAL 9 3HG2 VAL 9 0.073 -18.703 -0.629 70 H LEU 10 H LEU 10 -2.097 -14.348 -1.099 71 HA LEU 10 HA LEU 10 -0.163 -14.191 -3.207 72 HB2 LEU 10 2HB LEU 10 -2.129 -12.195 -1.998 73 HB3 LEU 10 1HB LEU 10 -1.122 -11.821 -3.397 74 HG LEU 10 HG LEU 10 -3.109 -14.141 -3.301 75 HD11 LEU 10 1HD1 LEU 10 -4.244 -11.915 -3.355 76 HD12 LEU 10 2HD1 LEU 10 -3.197 -11.449 -4.727 77 HD13 LEU 10 3HD1 LEU 10 -4.385 -12.763 -4.913 78 HD21 LEU 10 1HD2 LEU 10 -1.248 -14.530 -4.846 79 HD22 LEU 10 2HD2 LEU 10 -2.711 -14.095 -5.758 80 HD23 LEU 10 3HD2 LEU 10 -1.451 -12.857 -5.484 81 H VAL 11 H VAL 11 -0.338 -12.837 0.071 82 HA VAL 11 HA VAL 11 1.813 -10.936 -0.384 83 HB VAL 11 HB VAL 11 0.341 -11.941 2.082 84 HG11 VAL 11 1HG1 VAL 11 2.567 -11.244 2.797 85 HG12 VAL 11 2HG1 VAL 11 2.465 -9.787 1.785 86 HG13 VAL 11 3HG1 VAL 11 1.408 -9.960 3.205 87 HG21 VAL 11 1HG2 VAL 11 -0.921 -10.549 0.421 88 HG22 VAL 11 2HG2 VAL 11 -0.719 -9.745 1.992 89 HG23 VAL 11 3HG2 VAL 11 0.306 -9.275 0.613 90 H GLU 12 H GLU 12 1.536 -14.245 1.014 91 HA GLU 12 HA GLU 12 4.201 -14.208 2.087 92 HB2 GLU 12 2HB GLU 12 2.462 -16.555 1.231 93 HB3 GLU 12 1HB GLU 12 3.952 -16.653 2.193 94 HG2 GLU 12 2HG GLU 12 2.855 -15.079 3.864 95 HG3 GLU 12 1HG GLU 12 1.354 -15.268 2.962 96 H ARG 13 H ARG 13 2.845 -14.940 -1.110 97 HA ARG 13 HA ARG 13 5.151 -16.256 -2.213 98 HB2 ARG 13 2HB ARG 13 2.794 -14.731 -3.375 99 HB3 ARG 13 1HB ARG 13 4.054 -15.447 -4.404 100 HG2 ARG 13 2HG ARG 13 3.598 -17.661 -3.583 101 HG3 ARG 13 1HG ARG 13 2.493 -17.048 -2.338 102 HD2 ARG 13 2HD ARG 13 0.918 -16.281 -4.041 103 HD3 ARG 13 1HD ARG 13 2.071 -16.682 -5.332 104 HE ARG 13 HE ARG 13 1.495 -18.986 -3.701 105 HH11 ARG 13 1HH1 ARG 13 0.107 -16.975 -6.258 106 HH12 ARG 13 2HH1 ARG 13 -0.830 -18.285 -6.934 107 HH21 ARG 13 1HH2 ARG 13 0.277 -20.671 -4.606 108 HH22 ARG 13 2HH2 ARG 13 -0.745 -20.370 -5.994 109 H VAL 14 H VAL 14 4.173 -12.768 -2.161 110 HA VAL 14 HA VAL 14 6.502 -12.079 -3.726 111 HB VAL 14 HB VAL 14 4.768 -10.657 -4.051 112 HG11 VAL 14 1HG1 VAL 14 3.505 -9.443 -2.424 113 HG12 VAL 14 2HG1 VAL 14 3.394 -11.177 -2.084 114 HG13 VAL 14 3HG1 VAL 14 4.455 -10.149 -1.081 115 HG21 VAL 14 1HG2 VAL 14 6.886 -9.409 -3.760 116 HG22 VAL 14 2HG2 VAL 14 5.474 -8.435 -3.278 117 HG23 VAL 14 3HG2 VAL 14 6.493 -9.167 -2.034 118 H GLN 15 H GLN 15 6.036 -12.655 -0.285 119 HA GLN 15 HA GLN 15 8.520 -11.365 0.463 120 HB2 GLN 15 2HB GLN 15 6.934 -13.623 1.751 121 HB3 GLN 15 1HB GLN 15 8.395 -12.905 2.441 122 HG2 GLN 15 2HG GLN 15 7.269 -10.654 2.358 123 HG3 GLN 15 1HG GLN 15 5.775 -11.459 1.870 124 HE21 GLN 15 1HE2 GLN 15 5.579 -11.001 5.548 125 HE22 GLN 15 2HE2 GLN 15 5.498 -10.043 4.087 126 H LYS 16 H LYS 16 7.670 -14.518 -1.000 127 HA LYS 16 HA LYS 16 10.346 -15.600 -0.666 128 HB2 LYS 16 2HB LYS 16 7.989 -16.455 -2.406 129 HB3 LYS 16 1HB LYS 16 9.445 -17.398 -2.122 130 HG2 LYS 16 2HG LYS 16 7.371 -16.596 -0.044 131 HG3 LYS 16 1HG LYS 16 7.654 -18.218 -0.701 132 HD2 LYS 16 2HD LYS 16 9.925 -18.195 0.312 133 HD3 LYS 16 1HD LYS 16 9.604 -16.570 0.971 134 HE2 LYS 16 2HE LYS 16 7.680 -17.416 2.227 135 HE3 LYS 16 1HE LYS 16 7.927 -19.035 1.558 136 HZ1 LYS 16 1HZ LYS 16 9.849 -17.596 3.266 137 HZ2 LYS 16 2HZ LYS 16 8.872 -18.829 3.754 138 HZ3 LYS 16 3HZ LYS 16 10.062 -19.103 2.656 139 H GLY 17 H GLY 17 8.937 -13.299 -2.779 140 HA2 GLY 17 2HA GLY 17 10.494 -12.034 -4.140 141 HA3 GLY 17 3HA GLY 17 11.326 -13.544 -4.547 142 H ASP 18 H ASP 18 8.020 -14.220 -4.568 143 HA ASP 18 HA ASP 18 7.907 -14.184 -7.482 144 HB2 ASP 18 2HB ASP 18 6.178 -15.197 -5.227 145 HB3 ASP 18 1HB ASP 18 5.519 -15.037 -6.849 146 H GLN 19 H GLN 19 8.051 -11.944 -7.919 147 HA GLN 19 HA GLN 19 6.252 -9.991 -6.857 148 HB2 GLN 19 2HB GLN 19 7.796 -10.109 -9.484 149 HB3 GLN 19 1HB GLN 19 6.979 -8.668 -8.855 150 HG2 GLN 19 2HG GLN 19 8.414 -8.693 -6.850 151 HG3 GLN 19 1HG GLN 19 9.233 -10.148 -7.438 152 HE21 GLN 19 1HE2 GLN 19 11.418 -7.312 -8.365 153 HE22 GLN 19 2HE2 GLN 19 10.857 -8.079 -6.893 154 H LYS 20 H LYS 20 5.730 -12.609 -9.039 155 HA LYS 20 HA LYS 20 3.712 -11.396 -10.678 156 HB2 LYS 20 2HB LYS 20 3.200 -13.709 -11.332 157 HB3 LYS 20 1HB LYS 20 4.930 -13.380 -11.341 158 HG2 LYS 20 2HG LYS 20 4.960 -15.413 -10.318 159 HG3 LYS 20 1HG LYS 20 4.833 -14.388 -8.879 160 HD2 LYS 20 2HD LYS 20 2.322 -14.742 -8.952 161 HD3 LYS 20 1HD LYS 20 2.565 -15.852 -10.307 162 HE2 LYS 20 2HE LYS 20 3.694 -16.148 -7.492 163 HE3 LYS 20 1HE LYS 20 2.351 -17.066 -8.185 164 HZ1 LYS 20 1HZ LYS 20 4.347 -18.332 -8.307 165 HZ2 LYS 20 2HZ LYS 20 3.922 -17.921 -9.841 166 HZ3 LYS 20 3HZ LYS 20 5.157 -17.141 -9.075 167 H ALA 21 H ALA 21 3.685 -12.787 -7.414 168 HA ALA 21 HA ALA 21 0.767 -12.861 -7.331 169 HB1 ALA 21 1HB ALA 21 2.156 -14.383 -5.954 170 HB2 ALA 21 2HB ALA 21 2.837 -12.976 -5.100 171 HB3 ALA 21 3HB ALA 21 1.105 -13.353 -4.958 172 H PHE 22 H PHE 22 3.392 -10.624 -6.286 173 HA PHE 22 HA PHE 22 1.698 -8.740 -5.009 174 HB2 PHE 22 2HB PHE 22 4.136 -8.809 -4.814 175 HB3 PHE 22 1HB PHE 22 4.307 -8.299 -6.491 176 HD1 PHE 22 1HD PHE 22 2.584 -7.254 -3.317 177 HD2 PHE 22 2HD PHE 22 4.616 -5.997 -6.892 178 HE1 PHE 22 1HE PHE 22 2.483 -4.896 -2.547 179 HE2 PHE 22 2HE PHE 22 4.506 -3.642 -6.123 180 HZ PHE 22 HZ PHE 22 3.434 -3.091 -3.952 181 H ASN 23 H ASN 23 2.564 -9.239 -8.476 182 HA ASN 23 HA ASN 23 1.529 -6.760 -9.424 183 HB2 ASN 23 2HB ASN 23 2.987 -8.296 -10.726 184 HB3 ASN 23 1HB ASN 23 1.677 -9.483 -10.794 185 HD21 ASN 23 1HD2 ASN 23 1.487 -6.044 -13.099 186 HD22 ASN 23 2HD2 ASN 23 2.545 -6.115 -11.704 187 H LEU 24 H LEU 24 0.027 -9.952 -8.862 188 HA LEU 24 HA LEU 24 -2.539 -9.109 -9.947 189 HB2 LEU 24 2HB LEU 24 -1.729 -11.531 -8.292 190 HB3 LEU 24 1HB LEU 24 -3.255 -11.353 -9.170 191 HG LEU 24 HG LEU 24 -0.508 -11.292 -10.496 192 HD11 LEU 24 1HD1 LEU 24 -2.539 -13.541 -10.246 193 HD12 LEU 24 2HD1 LEU 24 -1.043 -13.582 -11.213 194 HD13 LEU 24 3HD1 LEU 24 -0.949 -13.458 -9.442 195 HD21 LEU 24 1HD2 LEU 24 -2.196 -10.127 -11.803 196 HD22 LEU 24 2HD2 LEU 24 -1.806 -11.673 -12.562 197 HD23 LEU 24 3HD2 LEU 24 -3.317 -11.505 -11.635 198 H LEU 25 H LEU 25 -0.910 -8.983 -6.878 199 HA LEU 25 HA LEU 25 -3.340 -8.661 -5.304 200 HB2 LEU 25 2HB LEU 25 -1.211 -9.742 -4.504 201 HB3 LEU 25 1HB LEU 25 -0.416 -8.164 -4.609 202 HG LEU 25 HG LEU 25 -2.078 -7.277 -2.935 203 HD11 LEU 25 1HD1 LEU 25 -3.925 -8.881 -3.336 204 HD12 LEU 25 2HD1 LEU 25 -2.874 -10.217 -2.811 205 HD13 LEU 25 3HD1 LEU 25 -3.385 -8.978 -1.646 206 HD21 LEU 25 1HD2 LEU 25 -1.085 -8.468 -1.018 207 HD22 LEU 25 2HD2 LEU 25 -0.531 -9.766 -2.102 208 HD23 LEU 25 3HD2 LEU 25 0.148 -8.129 -2.252 209 H VAL 26 H VAL 26 -0.957 -6.604 -6.933 210 HA VAL 26 HA VAL 26 -1.667 -4.155 -5.575 211 HB VAL 26 HB VAL 26 -0.123 -4.860 -8.082 212 HG11 VAL 26 1HG1 VAL 26 -0.778 -2.070 -7.050 213 HG12 VAL 26 2HG1 VAL 26 0.448 -2.446 -8.283 214 HG13 VAL 26 3HG1 VAL 26 -1.268 -2.749 -8.624 215 HG21 VAL 26 1HG2 VAL 26 0.892 -5.116 -5.784 216 HG22 VAL 26 2HG2 VAL 26 1.725 -3.917 -6.804 217 HG23 VAL 26 3HG2 VAL 26 0.608 -3.390 -5.518 218 H VAL 27 H VAL 27 -2.478 -5.438 -8.871 219 HA VAL 27 HA VAL 27 -4.097 -3.200 -9.530 220 HB VAL 27 HB VAL 27 -3.107 -4.833 -11.118 221 HG11 VAL 27 1HG1 VAL 27 -5.382 -6.649 -10.217 222 HG12 VAL 27 2HG1 VAL 27 -4.247 -6.954 -11.554 223 HG13 VAL 27 3HG1 VAL 27 -3.653 -6.906 -9.884 224 HG21 VAL 27 1HG2 VAL 27 -4.971 -4.839 -12.692 225 HG22 VAL 27 2HG2 VAL 27 -6.132 -4.555 -11.377 226 HG23 VAL 27 3HG2 VAL 27 -4.943 -3.305 -11.797 227 H ARG 28 H ARG 28 -4.778 -6.020 -7.576 228 HA ARG 28 HA ARG 28 -7.654 -5.947 -7.718 229 HB2 ARG 28 2HB ARG 28 -6.462 -7.932 -7.052 230 HB3 ARG 28 1HB ARG 28 -5.610 -7.064 -5.762 231 HG2 ARG 28 2HG ARG 28 -7.635 -6.769 -4.496 232 HG3 ARG 28 1HG ARG 28 -8.627 -7.420 -5.813 233 HD2 ARG 28 2HD ARG 28 -6.438 -8.998 -4.378 234 HD3 ARG 28 1HD ARG 28 -8.162 -9.063 -3.950 235 HE ARG 28 HE ARG 28 -8.003 -9.588 -6.698 236 HH11 ARG 28 1HH1 ARG 28 -6.817 -11.075 -3.705 237 HH12 ARG 28 2HH1 ARG 28 -6.899 -12.694 -4.348 238 HH21 ARG 28 1HH2 ARG 28 -8.057 -11.713 -7.515 239 HH22 ARG 28 2HH2 ARG 28 -7.573 -13.052 -6.500 240 H TYR 29 H TYR 29 -5.245 -4.662 -5.385 241 HA TYR 29 HA TYR 29 -7.364 -3.191 -3.987 242 HB2 TYR 29 2HB TYR 29 -4.445 -3.736 -3.463 243 HB3 TYR 29 1HB TYR 29 -5.334 -2.537 -2.541 244 HD1 TYR 29 1HD TYR 29 -5.385 -6.165 -3.502 245 HD2 TYR 29 2HD TYR 29 -6.805 -3.128 -0.801 246 HE1 TYR 29 1HE TYR 29 -6.382 -7.915 -2.072 247 HE2 TYR 29 2HE TYR 29 -7.823 -4.883 0.631 248 HH TYR 29 HH TYR 29 -7.642 -8.360 -0.192 249 H GLN 30 H GLN 30 -5.393 -2.612 -6.673 250 HA GLN 30 HA GLN 30 -4.570 0.060 -6.323 251 HB2 GLN 30 2HB GLN 30 -3.830 -1.446 -8.115 252 HB3 GLN 30 1HB GLN 30 -5.469 -1.498 -8.786 253 HG2 GLN 30 2HG GLN 30 -5.318 0.910 -9.311 254 HG3 GLN 30 1HG GLN 30 -3.662 0.947 -8.630 255 HE21 GLN 30 1HE2 GLN 30 -2.304 -1.101 -11.345 256 HE22 GLN 30 2HE2 GLN 30 -2.174 -0.862 -9.615 257 H HIS 31 H HIS 31 -7.778 -1.304 -6.979 258 HA HIS 31 HA HIS 31 -8.896 1.342 -7.599 259 HB2 HIS 31 2HB HIS 31 -9.745 -0.702 -8.682 260 HB3 HIS 31 1HB HIS 31 -10.231 -1.340 -7.102 261 HD2 HIS 31 2HD HIS 31 -10.981 1.776 -9.359 262 HE1 HIS 31 1HE HIS 31 -14.506 0.903 -7.149 263 HE2 HIS 31 2HE HIS 31 -13.490 2.402 -8.935 264 H LYS 32 H LYS 32 -8.494 -0.779 -4.775 265 HA LYS 32 HA LYS 32 -10.437 0.684 -3.159 266 HB2 LYS 32 2HB LYS 32 -8.166 -1.062 -2.162 267 HB3 LYS 32 1HB LYS 32 -9.724 -0.764 -1.379 268 HG2 LYS 32 2HG LYS 32 -9.249 -2.388 -3.912 269 HG3 LYS 32 1HG LYS 32 -9.430 -3.045 -2.294 270 HD2 LYS 32 2HD LYS 32 -11.472 -3.368 -3.361 271 HD3 LYS 32 1HD LYS 32 -11.748 -2.040 -2.208 272 HE2 LYS 32 2HE LYS 32 -11.568 -0.408 -4.067 273 HE3 LYS 32 1HE LYS 32 -11.199 -1.725 -5.193 274 HZ1 LYS 32 1HZ LYS 32 -13.719 -1.398 -3.702 275 HZ2 LYS 32 2HZ LYS 32 -13.492 -1.096 -5.301 276 HZ3 LYS 32 3HZ LYS 32 -13.374 -2.632 -4.734 277 H VAL 33 H VAL 33 -6.900 0.554 -3.444 278 HA VAL 33 HA VAL 33 -6.359 2.326 -1.270 279 HB VAL 33 HB VAL 33 -4.893 0.526 -2.331 280 HG11 VAL 33 1HG1 VAL 33 -3.463 1.188 -4.189 281 HG12 VAL 33 2HG1 VAL 33 -5.166 1.284 -4.693 282 HG13 VAL 33 3HG1 VAL 33 -4.266 2.770 -4.289 283 HG21 VAL 33 1HG2 VAL 33 -3.678 3.285 -2.002 284 HG22 VAL 33 2HG2 VAL 33 -4.029 2.141 -0.677 285 HG23 VAL 33 3HG2 VAL 33 -2.809 1.736 -1.904 286 H ALA 34 H ALA 34 -7.099 2.756 -4.687 287 HA ALA 34 HA ALA 34 -6.184 5.510 -4.805 288 HB1 ALA 34 1HB ALA 34 -8.008 3.902 -6.640 289 HB2 ALA 34 2HB ALA 34 -7.279 5.478 -7.019 290 HB3 ALA 34 3HB ALA 34 -6.245 4.050 -6.804 291 H SER 35 H SER 35 -9.198 3.842 -3.911 292 HA SER 35 HA SER 35 -10.864 6.182 -4.145 293 HB2 SER 35 2HB SER 35 -11.731 3.866 -4.109 294 HB3 SER 35 1HB SER 35 -11.167 3.677 -2.441 295 HG SER 35 HG SER 35 -13.391 4.283 -2.601 296 H LEU 36 H LEU 36 -8.627 4.922 -1.717 297 HA LEU 36 HA LEU 36 -9.610 6.575 0.435 298 HB2 LEU 36 2HB LEU 36 -8.280 4.439 0.676 299 HB3 LEU 36 1HB LEU 36 -6.870 5.305 0.065 300 HG LEU 36 HG LEU 36 -7.063 6.950 1.939 301 HD11 LEU 36 1HD1 LEU 36 -8.481 6.280 3.896 302 HD12 LEU 36 2HD1 LEU 36 -9.442 6.747 2.483 303 HD13 LEU 36 3HD1 LEU 36 -9.234 5.025 2.881 304 HD21 LEU 36 1HD2 LEU 36 -5.553 5.049 2.058 305 HD22 LEU 36 2HD2 LEU 36 -6.249 5.364 3.664 306 HD23 LEU 36 3HD2 LEU 36 -6.866 4.013 2.682 307 H VAL 37 H VAL 37 -6.838 6.827 -1.860 308 HA VAL 37 HA VAL 37 -5.991 9.277 -0.541 309 HB VAL 37 HB VAL 37 -4.342 7.678 -1.199 310 HG11 VAL 37 1HG1 VAL 37 -5.164 8.225 -4.071 311 HG12 VAL 37 2HG1 VAL 37 -3.779 7.239 -3.526 312 HG13 VAL 37 3HG1 VAL 37 -5.449 6.713 -3.187 313 HG21 VAL 37 1HG2 VAL 37 -4.067 10.084 -3.029 314 HG22 VAL 37 2HG2 VAL 37 -3.893 10.176 -1.259 315 HG23 VAL 37 3HG2 VAL 37 -2.786 9.151 -2.217 316 H SER 38 H SER 38 -8.008 8.532 -3.320 317 HA SER 38 HA SER 38 -7.665 10.971 -4.753 318 HB2 SER 38 2HB SER 38 -9.884 10.504 -5.666 319 HB3 SER 38 1HB SER 38 -8.910 9.019 -5.623 320 HG SER 38 HG SER 38 -11.036 8.724 -4.803 321 H ARG 39 H ARG 39 -9.031 10.305 -1.631 322 HA ARG 39 HA ARG 39 -10.782 12.597 -1.454 323 HB2 ARG 39 2HB ARG 39 -9.483 10.946 0.737 324 HB3 ARG 39 1HB ARG 39 -10.943 11.938 0.874 325 HG2 ARG 39 2HG ARG 39 -12.108 10.419 -0.735 326 HG3 ARG 39 1HG ARG 39 -10.617 9.457 -0.875 327 HD2 ARG 39 2HD ARG 39 -10.722 9.079 1.617 328 HD3 ARG 39 1HD ARG 39 -12.333 9.823 1.604 329 HE ARG 39 HE ARG 39 -12.139 7.756 -0.388 330 HH11 ARG 39 1HH1 ARG 39 -12.435 8.203 3.108 331 HH12 ARG 39 2HH1 ARG 39 -13.218 6.657 3.359 332 HH21 ARG 39 1HH2 ARG 39 -13.168 5.749 -0.031 333 HH22 ARG 39 2HH2 ARG 39 -13.635 5.279 1.588 334 H TYR 40 H TYR 40 -7.364 12.288 -1.417 335 HA TYR 40 HA TYR 40 -7.113 14.788 0.199 336 HB2 TYR 40 2HB TYR 40 -5.181 12.457 0.033 337 HB3 TYR 40 1HB TYR 40 -4.956 13.926 0.982 338 HD1 TYR 40 1HD TYR 40 -7.096 14.474 2.573 339 HD2 TYR 40 2HD TYR 40 -5.911 10.585 1.179 340 HE1 TYR 40 1HE TYR 40 -8.320 13.430 4.470 341 HE2 TYR 40 2HE TYR 40 -7.129 9.530 3.067 342 HH TYR 40 HH TYR 40 -8.914 11.464 5.495 343 H VAL 41 H VAL 41 -6.282 13.157 -2.803 344 HA VAL 41 HA VAL 41 -4.841 15.639 -3.623 345 HB VAL 41 HB VAL 41 -3.251 14.423 -4.883 346 HG11 VAL 41 1HG1 VAL 41 -2.768 14.686 -2.459 347 HG12 VAL 41 2HG1 VAL 41 -3.474 13.082 -2.153 348 HG13 VAL 41 3HG1 VAL 41 -2.011 13.235 -3.148 349 HG21 VAL 41 1HG2 VAL 41 -4.579 12.586 -5.701 350 HG22 VAL 41 2HG2 VAL 41 -3.134 11.960 -4.887 351 HG23 VAL 41 3HG2 VAL 41 -4.715 11.898 -4.058 352 HA PRO 42 HA PRO 42 -7.797 15.788 -6.840 353 HB2 PRO 42 2HB PRO 42 -6.375 16.925 -8.910 354 HB3 PRO 42 1HB PRO 42 -6.898 17.828 -7.454 355 HG2 PRO 42 2HG PRO 42 -4.206 16.511 -7.958 356 HG3 PRO 42 1HG PRO 42 -4.524 18.189 -7.393 357 HD2 PRO 42 2HD PRO 42 -3.923 16.232 -5.647 358 HD3 PRO 42 1HD PRO 42 -5.217 17.414 -5.259 359 H SER 43 H SER 43 -8.457 14.772 -8.792 360 HA SER 43 HA SER 43 -7.486 12.130 -9.079 361 HB2 SER 43 2HB SER 43 -9.265 13.764 -10.932 362 HB3 SER 43 1HB SER 43 -9.117 11.994 -10.914 363 HG SER 43 HG SER 43 -10.902 12.753 -9.687 364 H GLY 44 H GLY 44 -6.241 15.045 -10.422 365 HA2 GLY 44 2HA GLY 44 -5.216 13.875 -12.884 366 HA3 GLY 44 3HA GLY 44 -4.851 15.477 -12.202 367 H ASP 45 H ASP 45 -4.224 13.926 -9.545 368 HA ASP 45 HA ASP 45 -1.485 13.045 -10.342 369 HB2 ASP 45 2HB ASP 45 -2.372 14.672 -7.933 370 HB3 ASP 45 1HB ASP 45 -0.756 13.996 -8.146 371 H VAL 46 H VAL 46 -4.433 12.046 -9.026 372 HA VAL 46 HA VAL 46 -3.486 10.698 -6.721 373 HB VAL 46 HB VAL 46 -5.831 11.384 -7.161 374 HG11 VAL 46 1HG1 VAL 46 -5.987 8.819 -8.798 375 HG12 VAL 46 2HG1 VAL 46 -7.335 9.844 -8.266 376 HG13 VAL 46 3HG1 VAL 46 -6.160 10.475 -9.444 377 HG21 VAL 46 1HG2 VAL 46 -5.338 8.480 -6.420 378 HG22 VAL 46 2HG2 VAL 46 -5.188 9.893 -5.344 379 HG23 VAL 46 3HG2 VAL 46 -6.783 9.436 -6.013 380 HA PRO 47 HA PRO 47 -3.145 6.710 -9.293 381 HB2 PRO 47 2HB PRO 47 -2.241 6.832 -11.861 382 HB3 PRO 47 1HB PRO 47 -3.985 6.970 -11.459 383 HG2 PRO 47 2HG PRO 47 -2.005 9.226 -11.913 384 HG3 PRO 47 1HG PRO 47 -3.600 8.994 -12.705 385 HD2 PRO 47 2HD PRO 47 -3.344 10.600 -10.565 386 HD3 PRO 47 1HD PRO 47 -4.762 9.511 -10.704 387 H ASP 48 H ASP 48 -1.076 9.541 -9.549 388 HA ASP 48 HA ASP 48 1.386 7.990 -9.776 389 HB2 ASP 48 2HB ASP 48 1.106 10.261 -10.731 390 HB3 ASP 48 1HB ASP 48 0.927 10.914 -9.095 391 H VAL 49 H VAL 49 -0.582 9.424 -7.178 392 HA VAL 49 HA VAL 49 1.445 8.963 -5.137 393 HB VAL 49 HB VAL 49 -1.544 9.480 -4.877 394 HG11 VAL 49 1HG1 VAL 49 -0.572 8.526 -2.836 395 HG12 VAL 49 2HG1 VAL 49 0.745 9.730 -2.894 396 HG13 VAL 49 3HG1 VAL 49 -0.931 10.247 -2.598 397 HG21 VAL 49 1HG2 VAL 49 -0.400 11.352 -6.039 398 HG22 VAL 49 2HG2 VAL 49 -0.891 11.815 -4.403 399 HG23 VAL 49 3HG2 VAL 49 0.809 11.418 -4.739 400 H VAL 50 H VAL 50 -1.226 7.159 -6.600 401 HA VAL 50 HA VAL 50 -1.429 5.136 -4.562 402 HB VAL 50 HB VAL 50 -2.260 5.355 -7.466 403 HG11 VAL 50 1HG1 VAL 50 -1.800 2.995 -7.188 404 HG12 VAL 50 2HG1 VAL 50 -2.588 2.981 -5.600 405 HG13 VAL 50 3HG1 VAL 50 -3.553 3.231 -7.081 406 HG21 VAL 50 1HG2 VAL 50 -3.492 6.624 -5.692 407 HG22 VAL 50 2HG2 VAL 50 -4.495 5.396 -6.486 408 HG23 VAL 50 3HG2 VAL 50 -3.824 5.087 -4.863 409 H GLN 51 H GLN 51 0.484 5.436 -7.609 410 HA GLN 51 HA GLN 51 1.538 2.751 -7.400 411 HB2 GLN 51 2HB GLN 51 1.329 4.040 -9.518 412 HB3 GLN 51 1HB GLN 51 2.541 5.196 -8.918 413 HG2 GLN 51 2HG GLN 51 4.209 3.387 -8.765 414 HG3 GLN 51 1HG GLN 51 2.993 2.212 -9.299 415 HE21 GLN 51 1HE2 GLN 51 4.917 2.932 -12.344 416 HE22 GLN 51 2HE2 GLN 51 5.100 2.066 -10.833 417 H GLU 52 H GLU 52 2.553 5.969 -6.189 418 HA GLU 52 HA GLU 52 5.181 5.092 -5.432 419 HB2 GLU 52 2HB GLU 52 4.439 7.476 -5.685 420 HB3 GLU 52 1HB GLU 52 3.484 7.298 -4.193 421 HG2 GLU 52 2HG GLU 52 5.567 6.665 -2.974 422 HG3 GLU 52 1HG GLU 52 6.493 6.896 -4.464 423 H ALA 53 H ALA 53 1.964 4.892 -3.926 424 HA ALA 53 HA ALA 53 2.959 4.077 -1.336 425 HB1 ALA 53 1HB ALA 53 0.590 3.557 -0.906 426 HB2 ALA 53 2HB ALA 53 0.761 5.158 -1.661 427 HB3 ALA 53 3HB ALA 53 0.223 3.768 -2.635 428 H PHE 54 H PHE 54 2.240 2.417 -4.387 429 HA PHE 54 HA PHE 54 2.263 -0.223 -3.138 430 HB2 PHE 54 2HB PHE 54 2.104 0.877 -5.936 431 HB3 PHE 54 1HB PHE 54 2.478 -0.822 -5.693 432 HD1 PHE 54 1HD PHE 54 0.807 -1.747 -3.549 433 HD2 PHE 54 2HD PHE 54 -0.100 1.140 -6.603 434 HE1 PHE 54 1HE PHE 54 -1.616 -2.294 -3.351 435 HE2 PHE 54 2HE PHE 54 -2.497 0.576 -6.426 436 HZ PHE 54 HZ PHE 54 -3.259 -1.148 -4.792 437 H ILE 55 H ILE 55 4.640 1.864 -4.895 438 HA ILE 55 HA ILE 55 6.700 -0.141 -4.933 439 HB ILE 55 HB ILE 55 6.464 2.826 -5.276 440 HG12 ILE 55 2HG1 ILE 55 7.450 2.382 -7.395 441 HG13 ILE 55 1HG1 ILE 55 8.035 0.789 -6.889 442 HG21 ILE 55 1HG2 ILE 55 9.115 1.386 -4.866 443 HG22 ILE 55 2HG2 ILE 55 8.918 3.030 -5.518 444 HG23 ILE 55 3HG2 ILE 55 8.449 2.681 -3.839 445 HD11 ILE 55 1HD1 ILE 55 5.728 -0.071 -6.840 446 HD12 ILE 55 2HD1 ILE 55 5.117 1.542 -7.308 447 HD13 ILE 55 3HD1 ILE 55 6.130 0.612 -8.427 448 H LYS 56 H LYS 56 5.700 2.330 -2.492 449 HA LYS 56 HA LYS 56 7.769 1.667 -0.624 450 HB2 LYS 56 2HB LYS 56 5.011 2.934 -0.448 451 HB3 LYS 56 1HB LYS 56 6.033 2.682 0.987 452 HG2 LYS 56 2HG LYS 56 7.791 4.023 0.062 453 HG3 LYS 56 1HG LYS 56 6.953 4.197 -1.493 454 HD2 LYS 56 2HD LYS 56 5.243 5.565 -0.558 455 HD3 LYS 56 1HD LYS 56 5.634 5.061 1.096 456 HE2 LYS 56 2HE LYS 56 6.479 7.287 0.814 457 HE3 LYS 56 1HE LYS 56 7.844 6.163 0.905 458 HZ1 LYS 56 1HZ LYS 56 7.930 6.257 -1.532 459 HZ2 LYS 56 2HZ LYS 56 6.736 7.400 -1.528 460 HZ3 LYS 56 3HZ LYS 56 8.180 7.728 -0.839 461 H ALA 57 H ALA 57 4.596 0.222 -1.396 462 HA ALA 57 HA ALA 57 4.498 -1.364 1.009 463 HB1 ALA 57 1HB ALA 57 2.649 -2.520 -0.132 464 HB2 ALA 57 2HB ALA 57 2.475 -0.759 -0.251 465 HB3 ALA 57 3HB ALA 57 3.060 -1.697 -1.651 466 H TYR 58 H TYR 58 5.962 -1.853 -2.230 467 HA TYR 58 HA TYR 58 6.359 -4.695 -1.832 468 HB2 TYR 58 2HB TYR 58 6.360 -3.727 -4.065 469 HB3 TYR 58 1HB TYR 58 7.692 -2.649 -3.640 470 HD1 TYR 58 1HD TYR 58 9.932 -3.330 -3.851 471 HD2 TYR 58 2HD TYR 58 6.787 -6.251 -4.039 472 HE1 TYR 58 1HE TYR 58 11.592 -5.055 -4.484 473 HE2 TYR 58 2HE TYR 58 8.446 -7.996 -4.685 474 HH TYR 58 HH TYR 58 11.933 -7.272 -4.991 475 H ARG 59 H ARG 59 8.381 -1.788 -1.443 476 HA ARG 59 HA ARG 59 10.760 -3.163 -0.625 477 HB2 ARG 59 2HB ARG 59 9.827 -0.293 -0.330 478 HB3 ARG 59 1HB ARG 59 11.496 -0.854 -0.046 479 HG2 ARG 59 2HG ARG 59 11.754 -1.516 -2.346 480 HG3 ARG 59 1HG ARG 59 10.024 -1.327 -2.680 481 HD2 ARG 59 2HD ARG 59 11.172 0.566 -3.602 482 HD3 ARG 59 1HD ARG 59 10.169 1.080 -2.235 483 HE ARG 59 HE ARG 59 12.779 0.518 -1.259 484 HH11 ARG 59 1HH1 ARG 59 11.160 2.853 -3.370 485 HH12 ARG 59 2HH1 ARG 59 12.300 4.129 -3.022 486 HH21 ARG 59 1HH2 ARG 59 14.250 2.201 -0.828 487 HH22 ARG 59 2HH2 ARG 59 14.050 3.761 -1.596 488 H ALA 60 H ALA 60 7.848 -2.507 1.011 489 HA ALA 60 HA ALA 60 9.198 -3.074 3.611 490 HB1 ALA 60 1HB ALA 60 6.571 -1.627 3.102 491 HB2 ALA 60 2HB ALA 60 7.302 -1.947 4.690 492 HB3 ALA 60 3HB ALA 60 8.117 -0.862 3.540 493 H LEU 61 H LEU 61 7.455 -4.609 1.184 494 HA LEU 61 HA LEU 61 5.547 -6.009 2.825 495 HB2 LEU 61 2HB LEU 61 6.282 -5.864 0.022 496 HB3 LEU 61 1HB LEU 61 6.231 -7.557 0.508 497 HG LEU 61 HG LEU 61 3.987 -5.542 0.994 498 HD11 LEU 61 1HD1 LEU 61 4.325 -6.072 -1.389 499 HD12 LEU 61 2HD1 LEU 61 4.264 -7.809 -1.016 500 HD13 LEU 61 3HD1 LEU 61 2.820 -6.793 -0.771 501 HD21 LEU 61 1HD2 LEU 61 2.674 -7.593 1.511 502 HD22 LEU 61 2HD2 LEU 61 4.166 -8.556 1.367 503 HD23 LEU 61 3HD2 LEU 61 3.986 -7.342 2.667 504 H ASP 62 H ASP 62 8.949 -6.517 2.002 505 HA ASP 62 HA ASP 62 9.007 -9.194 3.141 506 HB2 ASP 62 2HB ASP 62 11.408 -9.015 2.859 507 HB3 ASP 62 1HB ASP 62 10.595 -8.449 1.389 508 H SER 63 H SER 63 8.514 -6.217 4.509 509 HA SER 63 HA SER 63 9.697 -7.073 7.110 510 HB2 SER 63 2HB SER 63 10.666 -4.987 6.133 511 HB3 SER 63 1HB SER 63 9.054 -4.251 6.168 512 HG SER 63 HG SER 63 9.051 -4.602 8.433 513 H PHE 64 H PHE 64 6.873 -6.780 5.314 514 HA PHE 64 HA PHE 64 5.019 -6.037 7.405 515 HB2 PHE 64 2HB PHE 64 4.458 -5.771 5.038 516 HB3 PHE 64 1HB PHE 64 4.754 -7.477 4.746 517 HD1 PHE 64 1HD PHE 64 2.603 -5.288 6.908 518 HD2 PHE 64 2HD PHE 64 2.958 -8.942 4.673 519 HE1 PHE 64 1HE PHE 64 0.212 -5.802 7.362 520 HE2 PHE 64 2HE PHE 64 0.568 -9.449 5.130 521 HZ PHE 64 HZ PHE 64 -0.796 -7.885 6.473 522 H ASP 65 H ASP 65 3.806 -7.376 8.739 523 HA ASP 65 HA ASP 65 4.734 -10.188 8.950 524 HB2 ASP 65 2HB ASP 65 4.741 -8.701 10.960 525 HB3 ASP 65 1HB ASP 65 2.983 -8.572 10.840 526 H ILE 66 H ILE 66 3.615 -11.648 7.845 527 HA ILE 66 HA ILE 66 1.215 -11.071 6.478 528 HB ILE 66 HB ILE 66 2.750 -12.740 5.690 529 HG12 ILE 66 2HG1 ILE 66 1.282 -14.720 5.386 530 HG13 ILE 66 1HG1 ILE 66 0.196 -14.109 6.640 531 HG21 ILE 66 1HG2 ILE 66 3.143 -14.864 6.882 532 HG22 ILE 66 2HG2 ILE 66 3.730 -13.466 7.794 533 HG23 ILE 66 3HG2 ILE 66 2.201 -14.256 8.267 534 HD11 ILE 66 1HD1 ILE 66 -0.203 -12.054 5.286 535 HD12 ILE 66 2HD1 ILE 66 0.951 -12.643 4.068 536 HD13 ILE 66 3HD1 ILE 66 -0.577 -13.514 4.338 537 H ASN 67 H ASN 67 1.734 -12.032 9.778 538 HA ASN 67 HA ASN 67 -0.841 -13.346 10.064 539 HB2 ASN 67 2HB ASN 67 1.198 -12.473 12.138 540 HB3 ASN 67 1HB ASN 67 -0.208 -13.541 12.395 541 HD21 ASN 67 1HD2 ASN 67 3.132 -14.986 10.494 542 HD22 ASN 67 2HD2 ASN 67 2.958 -13.269 10.839 543 H ARG 68 H ARG 68 -0.093 -10.197 9.624 544 HA ARG 68 HA ARG 68 -2.410 -9.212 11.236 545 HB2 ARG 68 2HB ARG 68 0.131 -7.885 10.283 546 HB3 ARG 68 1HB ARG 68 -1.303 -6.940 10.736 547 HG2 ARG 68 2HG ARG 68 -1.331 -8.080 12.957 548 HG3 ARG 68 1HG ARG 68 0.140 -8.967 12.509 549 HD2 ARG 68 2HD ARG 68 1.376 -6.855 12.291 550 HD3 ARG 68 1HD ARG 68 -0.104 -5.933 12.625 551 HE ARG 68 HE ARG 68 0.088 -6.404 14.883 552 HH11 ARG 68 1HH1 ARG 68 2.416 -8.361 13.075 553 HH12 ARG 68 2HH1 ARG 68 3.251 -8.905 14.505 554 HH21 ARG 68 1HH2 ARG 68 1.195 -7.128 16.736 555 HH22 ARG 68 2HH2 ARG 68 2.567 -8.201 16.575 556 H LYS 69 H LYS 69 -3.581 -7.345 10.060 557 HA LYS 69 HA LYS 69 -4.682 -8.529 7.704 558 HB2 LYS 69 2HB LYS 69 -5.033 -5.705 8.766 559 HB3 LYS 69 1HB LYS 69 -6.071 -6.525 7.573 560 HG2 LYS 69 2HG LYS 69 -6.535 -8.289 9.326 561 HG3 LYS 69 1HG LYS 69 -5.614 -7.290 10.478 562 HD2 LYS 69 2HD LYS 69 -8.001 -6.908 10.763 563 HD3 LYS 69 1HD LYS 69 -7.202 -5.442 10.173 564 HE2 LYS 69 2HE LYS 69 -8.019 -5.833 7.922 565 HE3 LYS 69 1HE LYS 69 -8.677 -7.419 8.390 566 HZ1 LYS 69 1HZ LYS 69 -10.212 -6.338 9.826 567 HZ2 LYS 69 2HZ LYS 69 -9.539 -4.876 9.573 568 HZ3 LYS 69 3HZ LYS 69 -10.339 -5.633 8.340 569 H PHE 70 H PHE 70 -4.247 -8.315 5.610 570 HA PHE 70 HA PHE 70 -1.834 -6.981 4.749 571 HB2 PHE 70 2HB PHE 70 -2.863 -7.731 2.457 572 HB3 PHE 70 1HB PHE 70 -2.250 -8.933 3.589 573 HD1 PHE 70 1HD PHE 70 -3.598 -10.586 4.562 574 HD2 PHE 70 2HD PHE 70 -5.409 -7.405 2.297 575 HE1 PHE 70 1HE PHE 70 -5.769 -11.778 4.623 576 HE2 PHE 70 2HE PHE 70 -7.578 -8.598 2.372 577 HZ PHE 70 HZ PHE 70 -7.759 -10.781 3.528 578 H SER 71 H SER 71 -5.329 -6.236 4.528 579 HA SER 71 HA SER 71 -4.842 -4.071 2.644 580 HB2 SER 71 2HB SER 71 -7.286 -3.745 2.857 581 HB3 SER 71 1HB SER 71 -6.817 -5.412 2.456 582 HG SER 71 HG SER 71 -8.388 -5.302 4.144 583 H THR 72 H THR 72 -5.537 -4.361 6.146 584 HA THR 72 HA THR 72 -6.023 -1.625 6.691 585 HB THR 72 HB THR 72 -4.691 -3.772 8.371 586 HG1 THR 72 1HG THR 72 -6.914 -3.997 9.096 587 HG21 THR 72 1HG2 THR 72 -6.252 -1.307 9.242 588 HG22 THR 72 2HG2 THR 72 -5.635 -2.607 10.302 589 HG23 THR 72 3HG2 THR 72 -4.499 -1.554 9.433 590 H TRP 73 H TRP 73 -3.007 -3.501 6.397 591 HA TRP 73 HA TRP 73 -1.281 -1.299 7.217 592 HB2 TRP 73 2HB TRP 73 -0.659 -3.525 7.744 593 HB3 TRP 73 1HB TRP 73 -0.910 -4.067 6.089 594 HD1 TRP 73 HD TRP 73 1.671 -2.332 8.278 595 HE1 TRP 73 1HE TRP 73 3.933 -2.359 7.092 596 HE3 TRP 73 3HE TRP 73 0.122 -3.891 3.669 597 HZ2 TRP 73 2HZ TRP 73 4.967 -3.107 4.477 598 HZ3 TRP 73 3HZ TRP 73 1.755 -4.215 1.847 599 HH2 TRP 73 HH TRP 73 4.179 -3.831 2.246 600 H LEU 74 H LEU 74 -2.652 -2.555 4.186 601 HA LEU 74 HA LEU 74 -0.791 -1.157 2.463 602 HB2 LEU 74 2HB LEU 74 -2.014 -3.145 1.705 603 HB3 LEU 74 1HB LEU 74 -3.552 -2.347 2.016 604 HG LEU 74 HG LEU 74 -3.147 -0.699 0.267 605 HD11 LEU 74 1HD1 LEU 74 -0.518 -2.168 -0.224 606 HD12 LEU 74 2HD1 LEU 74 -1.214 -0.898 -1.257 607 HD13 LEU 74 3HD1 LEU 74 -0.692 -0.498 0.387 608 HD21 LEU 74 1HD2 LEU 74 -3.225 -2.212 -1.664 609 HD22 LEU 74 2HD2 LEU 74 -2.576 -3.537 -0.674 610 HD23 LEU 74 3HD2 LEU 74 -4.184 -2.860 -0.311 611 H TYR 75 H TYR 75 -4.073 -0.480 3.769 612 HA TYR 75 HA TYR 75 -4.409 1.940 2.236 613 HB2 TYR 75 2HB TYR 75 -5.753 0.932 4.768 614 HB3 TYR 75 1HB TYR 75 -6.322 2.285 3.788 615 HD1 TYR 75 1HD TYR 75 -7.473 -0.601 4.640 616 HD2 TYR 75 2HD TYR 75 -5.931 1.115 1.010 617 HE1 TYR 75 1HE TYR 75 -8.885 -2.152 3.325 618 HE2 TYR 75 2HE TYR 75 -7.323 -0.455 -0.320 619 HH TYR 75 HH TYR 75 -9.531 -2.819 1.225 620 H ARG 76 H ARG 76 -2.966 1.165 5.385 621 HA ARG 76 HA ARG 76 -2.887 3.852 6.389 622 HB2 ARG 76 2HB ARG 76 -2.639 1.852 7.790 623 HB3 ARG 76 1HB ARG 76 -1.173 1.381 6.916 624 HG2 ARG 76 2HG ARG 76 -0.726 2.415 9.125 625 HG3 ARG 76 1HG ARG 76 0.033 3.309 7.797 626 HD2 ARG 76 2HD ARG 76 -1.567 5.059 7.916 627 HD3 ARG 76 1HD ARG 76 -2.692 4.074 8.883 628 HE ARG 76 HE ARG 76 -0.481 4.190 10.484 629 HH11 ARG 76 1HH1 ARG 76 -2.373 6.704 8.862 630 HH12 ARG 76 2HH1 ARG 76 -2.068 7.890 10.108 631 HH21 ARG 76 1HH2 ARG 76 -0.085 5.742 12.057 632 HH22 ARG 76 2HH2 ARG 76 -0.751 7.353 11.913 633 H ILE 77 H ILE 77 -0.857 1.998 4.160 634 HA ILE 77 HA ILE 77 1.356 3.891 4.273 635 HB ILE 77 HB ILE 77 0.630 1.494 2.559 636 HG12 ILE 77 2HG1 ILE 77 2.770 2.110 4.633 637 HG13 ILE 77 1HG1 ILE 77 1.325 1.144 4.904 638 HG21 ILE 77 1HG2 ILE 77 3.132 3.222 2.346 639 HG22 ILE 77 2HG2 ILE 77 2.843 1.682 1.494 640 HG23 ILE 77 3HG2 ILE 77 1.849 3.082 1.110 641 HD11 ILE 77 1HD1 ILE 77 3.227 -0.335 4.564 642 HD12 ILE 77 2HD1 ILE 77 2.100 -0.508 3.201 643 HD13 ILE 77 3HD1 ILE 77 3.602 0.427 3.007 644 H ALA 78 H ALA 78 -1.579 3.450 2.301 645 HA ALA 78 HA ALA 78 -0.601 5.170 0.185 646 HB1 ALA 78 1HB ALA 78 -3.397 4.188 0.863 647 HB2 ALA 78 2HB ALA 78 -2.892 4.942 -0.671 648 HB3 ALA 78 3HB ALA 78 -2.198 3.374 -0.180 649 H VAL 79 H VAL 79 -2.528 5.678 3.157 650 HA VAL 79 HA VAL 79 -3.194 8.401 2.332 651 HB VAL 79 HB VAL 79 -4.731 7.098 3.705 652 HG11 VAL 79 1HG1 VAL 79 -3.068 5.829 5.017 653 HG12 VAL 79 2HG1 VAL 79 -2.623 7.325 5.882 654 HG13 VAL 79 3HG1 VAL 79 -4.263 6.640 6.053 655 HG21 VAL 79 1HG2 VAL 79 -3.588 9.471 5.231 656 HG22 VAL 79 2HG2 VAL 79 -4.684 9.587 3.829 657 HG23 VAL 79 3HG2 VAL 79 -5.239 8.833 5.345 658 H ASN 80 H ASN 80 -0.649 6.790 4.219 659 HA ASN 80 HA ASN 80 0.396 9.331 5.195 660 HB2 ASN 80 2HB ASN 80 1.521 6.501 5.125 661 HB3 ASN 80 1HB ASN 80 2.387 7.873 5.816 662 HD21 ASN 80 1HD2 ASN 80 0.777 6.324 8.702 663 HD22 ASN 80 2HD2 ASN 80 2.096 6.021 7.585 664 H THR 81 H THR 81 0.880 7.277 2.329 665 HA THR 81 HA THR 81 3.168 8.752 1.344 666 HB THR 81 HB THR 81 1.057 7.033 -0.028 667 HG1 THR 81 1HG THR 81 2.377 5.889 1.330 668 HG21 THR 81 1HG2 THR 81 2.018 8.525 -1.703 669 HG22 THR 81 2HG2 THR 81 3.661 8.177 -1.114 670 HG23 THR 81 3HG2 THR 81 2.692 6.903 -1.903 671 H ALA 82 H ALA 82 -0.326 9.235 1.428 672 HA ALA 82 HA ALA 82 -0.378 11.258 -0.636 673 HB1 ALA 82 1HB ALA 82 -2.324 10.766 1.646 674 HB2 ALA 82 2HB ALA 82 -2.653 11.603 0.116 675 HB3 ALA 82 3HB ALA 82 -2.319 9.850 0.118 676 H LYS 83 H LYS 83 -0.142 11.291 2.978 677 HA LYS 83 HA LYS 83 -0.367 14.143 3.161 678 HB2 LYS 83 2HB LYS 83 1.112 12.282 5.063 679 HB3 LYS 83 1HB LYS 83 0.480 13.899 5.392 680 HG2 LYS 83 2HG LYS 83 -0.912 11.276 5.334 681 HG3 LYS 83 1HG LYS 83 -1.077 12.634 6.435 682 HD2 LYS 83 2HD LYS 83 -2.244 13.886 4.506 683 HD3 LYS 83 1HD LYS 83 -2.309 12.287 3.690 684 HE2 LYS 83 2HE LYS 83 -3.438 11.341 5.658 685 HE3 LYS 83 1HE LYS 83 -3.411 12.923 6.453 686 HZ1 LYS 83 1HZ LYS 83 -5.517 12.518 5.381 687 HZ2 LYS 83 2HZ LYS 83 -4.760 13.780 4.660 688 HZ3 LYS 83 3HZ LYS 83 -4.792 12.312 3.921 689 H ASN 84 H ASN 84 2.363 11.936 2.584 690 HA ASN 84 HA ASN 84 4.359 14.018 2.964 691 HB2 ASN 84 2HB ASN 84 4.473 11.251 1.715 692 HB3 ASN 84 1HB ASN 84 5.878 12.296 1.980 693 HD21 ASN 84 1HD2 ASN 84 5.804 9.969 4.847 694 HD22 ASN 84 2HD2 ASN 84 6.066 9.888 3.118 695 H TYR 85 H TYR 85 2.372 12.868 0.252 696 HA TYR 85 HA TYR 85 4.006 14.189 -1.754 697 HB2 TYR 85 2HB TYR 85 2.581 12.311 -2.344 698 HB3 TYR 85 1HB TYR 85 1.154 13.151 -1.735 699 HD1 TYR 85 1HD TYR 85 3.829 13.321 -4.352 700 HD2 TYR 85 2HD TYR 85 -0.087 14.613 -3.129 701 HE1 TYR 85 1HE TYR 85 3.459 14.310 -6.598 702 HE2 TYR 85 2HE TYR 85 -0.460 15.617 -5.367 703 HH TYR 85 HH TYR 85 2.027 15.479 -7.941 704 H LEU 86 H LEU 86 1.178 15.013 0.267 705 HA LEU 86 HA LEU 86 0.612 17.527 -0.993 706 HB2 LEU 86 2HB LEU 86 0.136 16.408 1.788 707 HB3 LEU 86 1HB LEU 86 -0.466 17.992 1.297 708 HG LEU 86 HG LEU 86 -1.178 15.353 -0.069 709 HD11 LEU 86 1HD1 LEU 86 -2.174 15.585 2.176 710 HD12 LEU 86 2HD1 LEU 86 -2.805 17.190 1.734 711 HD13 LEU 86 3HD1 LEU 86 -3.406 15.737 0.903 712 HD21 LEU 86 1HD2 LEU 86 -1.243 17.183 -1.678 713 HD22 LEU 86 2HD2 LEU 86 -2.887 16.706 -1.238 714 HD23 LEU 86 3HD2 LEU 86 -2.184 18.186 -0.539 715 H VAL 87 H VAL 87 3.055 16.501 1.348 716 HA VAL 87 HA VAL 87 3.865 19.247 1.966 717 HB VAL 87 HB VAL 87 5.169 16.531 2.417 718 HG11 VAL 87 1HG1 VAL 87 6.003 19.292 3.412 719 HG12 VAL 87 2HG1 VAL 87 6.686 17.745 3.958 720 HG13 VAL 87 3HG1 VAL 87 6.914 18.256 2.282 721 HG21 VAL 87 1HG2 VAL 87 3.067 17.026 3.694 722 HG22 VAL 87 2HG2 VAL 87 4.497 16.897 4.740 723 HG23 VAL 87 3HG2 VAL 87 3.833 18.496 4.333 724 H ALA 88 H ALA 88 4.723 16.675 -0.350 725 HA ALA 88 HA ALA 88 7.085 17.973 -1.326 726 HB1 ALA 88 1HB ALA 88 5.284 15.902 -2.645 727 HB2 ALA 88 2HB ALA 88 6.947 16.299 -3.124 728 HB3 ALA 88 3HB ALA 88 6.636 15.551 -1.537 729 H GLN 89 H GLN 89 3.692 18.590 -1.837 730 HA GLN 89 HA GLN 89 4.453 20.352 -4.118 731 HB2 GLN 89 2HB GLN 89 1.641 19.497 -3.409 732 HB3 GLN 89 1HB GLN 89 2.208 20.321 -4.869 733 HG2 GLN 89 2HG GLN 89 2.832 17.463 -4.030 734 HG3 GLN 89 1HG GLN 89 1.763 17.956 -5.333 735 HE21 GLN 89 1HE2 GLN 89 5.209 16.926 -6.581 736 HE22 GLN 89 2HE2 GLN 89 4.070 16.197 -5.470 737 H GLY 90 H GLY 90 3.766 20.359 -0.795 738 HA2 GLY 90 2HA GLY 90 2.454 22.967 -0.707 739 HA3 GLY 90 3HA GLY 90 3.061 22.007 0.663 740 H ARG 91 H ARG 91 5.694 21.773 -1.000 741 HA ARG 91 HA ARG 91 6.847 24.332 -0.055 742 HB2 ARG 91 2HB ARG 91 8.179 21.697 -0.768 743 HB3 ARG 91 1HB ARG 91 9.000 23.149 -0.154 744 HG2 ARG 91 2HG ARG 91 7.587 23.052 1.906 745 HG3 ARG 91 1HG ARG 91 6.842 21.565 1.299 746 HD2 ARG 91 2HD ARG 91 8.565 20.905 2.821 747 HD3 ARG 91 1HD ARG 91 9.160 20.552 1.185 748 HE ARG 91 HE ARG 91 9.893 23.141 2.451 749 HH11 ARG 91 1HH1 ARG 91 10.910 19.913 1.426 750 HH12 ARG 91 2HH1 ARG 91 12.613 20.288 1.555 751 HH21 ARG 91 1HH2 ARG 91 12.077 23.600 2.613 752 HH22 ARG 91 2HH2 ARG 91 13.279 22.389 2.221 753 H ARG 92 H ARG 92 5.353 23.716 -2.717 754 HA ARG 92 HA ARG 92 7.150 23.894 -4.897 755 HB2 ARG 92 2HB ARG 92 4.281 24.709 -4.390 756 HB3 ARG 92 1HB ARG 92 5.075 25.190 -5.889 757 HG2 ARG 92 2HG ARG 92 5.633 22.805 -6.357 758 HG3 ARG 92 1HG ARG 92 4.777 22.319 -4.879 759 HD2 ARG 92 2HD ARG 92 2.690 23.318 -5.762 760 HD3 ARG 92 1HD ARG 92 3.553 23.817 -7.233 761 HE ARG 92 HE ARG 92 3.867 20.996 -6.800 762 HH11 ARG 92 1HH1 ARG 92 1.467 23.369 -7.862 763 HH12 ARG 92 2HH1 ARG 92 0.610 22.222 -8.865 764 HH21 ARG 92 1HH2 ARG 92 2.748 19.538 -8.100 765 HH22 ARG 92 2HH2 ARG 92 1.334 20.046 -8.997 766 H LEU 93 H LEU 93 6.367 26.268 -2.498 767 HA LEU 93 HA LEU 93 7.624 28.395 -4.158 768 HB2 LEU 93 2HB LEU 93 5.235 28.546 -2.298 769 HB3 LEU 93 1HB LEU 93 6.066 29.972 -2.950 770 HG LEU 93 HG LEU 93 4.728 27.805 -4.630 771 HD11 LEU 93 1HD1 LEU 93 3.862 30.642 -3.938 772 HD12 LEU 93 2HD1 LEU 93 3.030 29.537 -5.062 773 HD13 LEU 93 3HD1 LEU 93 3.118 29.147 -3.330 774 HD21 LEU 93 1HD2 LEU 93 6.563 28.917 -5.847 775 HD22 LEU 93 2HD2 LEU 93 4.994 29.468 -6.462 776 HD23 LEU 93 3HD2 LEU 93 5.928 30.511 -5.361 777 H GLU 94 H GLU 94 8.561 26.413 -1.981 778 HA GLU 94 HA GLU 94 9.727 28.468 -0.157 779 HB2 GLU 94 2HB GLU 94 8.178 26.799 0.880 780 HB3 GLU 94 1HB GLU 94 9.271 25.507 0.365 781 HG2 GLU 94 2HG GLU 94 11.093 26.487 1.723 782 HG3 GLU 94 1HG GLU 94 10.027 27.818 2.203 783 H LEU 95 H LEU 95 10.326 26.237 -2.682 784 HA LEU 95 HA LEU 95 13.190 25.934 -1.972 785 HB2 LEU 95 2HB LEU 95 11.476 24.598 -4.105 786 HB3 LEU 95 1HB LEU 95 13.186 24.260 -3.813 787 HG LEU 95 HG LEU 95 10.931 23.819 -1.805 788 HD11 LEU 95 1HD1 LEU 95 12.589 21.863 -3.459 789 HD12 LEU 95 2HD1 LEU 95 11.379 21.425 -2.235 790 HD13 LEU 95 3HD1 LEU 95 10.870 22.259 -3.717 791 HD21 LEU 95 1HD2 LEU 95 13.904 23.142 -1.707 792 HD22 LEU 95 2HD2 LEU 95 13.052 24.300 -0.659 793 HD23 LEU 95 3HD2 LEU 95 12.689 22.568 -0.544 794 H5' GNG 96 H5T DG 96 11.635 3.303 8.676 795 H5'1 GNG 96 1H5* DG 96 11.365 0.599 7.846 796 H5'2 GNG 96 2H5* DG 96 10.660 1.998 7.027 797 H4' GNG 96 H4* DG 96 10.072 1.168 9.902 798 H1' GNG 96 H1* DG 96 7.135 2.728 9.111 799 H8 GNG 96 8H DG 96 8.335 3.643 5.586 800 HN21 GNG 96 1H2 DG 96 5.623 7.961 11.051 801 HN22 GNG 96 2H2 DG 96 6.037 6.356 11.619 802 H2'1 GNG 96 1H2* DG 96 8.421 1.788 6.532 803 H2'2 GNG 96 2H2* DG 96 6.897 1.241 7.291 804 H3' GNG 96 H3* DG 96 9.195 -0.135 7.681 805 HN1 GNG 96 1H DG 96 5.924 8.562 8.927 806 H5' DT 97 1H5* DT 97 6.045 1.323 10.666 807 H5'' DT 97 2H5* DT 97 4.798 0.112 11.011 808 H4' DT 97 H4* DT 97 3.925 2.442 11.011 809 H3' DT 97 H3* DT 97 2.623 0.270 9.869 810 H2' DT 97 1H2* DT 97 3.407 0.685 7.670 811 H2'' DT 97 2H2* DT 97 1.834 1.556 7.637 812 H1' DT 97 H1* DT 97 2.839 3.625 8.245 813 H3 DT 97 3H DT 97 4.720 5.563 4.648 814 H71 DT 97 1H7 DT 97 5.829 1.116 3.175 815 H72 DT 97 2H7 DT 97 7.304 1.527 4.062 816 H73 DT 97 3H7 DT 97 6.161 0.328 4.736 817 H6 DT 97 6H DT 97 4.936 1.122 6.464 818 H5' DA 98 1H5* DA 98 -0.732 0.444 9.885 819 H5'' DA 98 2H5* DA 98 -1.562 1.295 11.196 820 H4' DA 98 H4* DA 98 -2.665 -0.773 11.029 821 H3' DA 98 H3* DA 98 -1.504 -0.154 13.416 822 H2' DA 98 1H2* DA 98 0.534 -1.275 13.180 823 H2'' DA 98 2H2* DA 98 -0.407 -2.630 13.858 824 H1' DA 98 H1* DA 98 -0.655 -3.665 11.810 825 H8 DA 98 8H DA 98 2.033 -0.876 11.776 826 H61 DA 98 1H6 DA 98 5.669 -5.165 9.159 827 H62 DA 98 2H6 DA 98 5.603 -3.545 9.824 828 H2 DA 98 2H DA 98 1.532 -6.813 9.414 829 H5' DA 99 1H5* DA 99 -5.283 -3.504 13.789 830 H5'' DA 99 2H5* DA 99 -5.239 -1.903 13.043 831 H4' DA 99 H4* DA 99 -7.194 -2.922 15.154 832 H3' DA 99 H3* DA 99 -7.205 -3.223 12.469 833 H2' DA 99 1H2* DA 99 -7.022 -1.128 11.591 834 H2'' DA 99 2H2* DA 99 -8.724 -0.869 12.051 835 H1' DA 99 H1* DA 99 -8.079 0.612 13.654 836 H8 DA 99 8H DA 99 -5.735 0.285 11.115 837 H61 DA 99 1H6 DA 99 -1.385 3.295 14.383 838 H62 DA 99 2H6 DA 99 -1.800 2.723 12.784 839 H2 DA 99 2H DA 99 -4.620 2.127 17.154 840 H5' DA 100 1H5* DA 100 -11.629 -1.354 12.854 841 H5'' DA 100 2H5* DA 100 -12.537 -2.621 11.995 842 H4' DA 100 H4* DA 100 -13.366 -0.659 11.022 843 H3' DA 100 H3* DA 100 -11.836 -2.334 9.386 844 H2' DA 100 1H2* DA 100 -9.901 -0.999 9.488 845 H2'' DA 100 2H2* DA 100 -10.668 -0.309 8.023 846 H1' DA 100 H1* DA 100 -11.739 1.431 9.298 847 H8 DA 100 8H DA 100 -8.245 0.094 9.916 848 H61 DA 100 1H6 DA 100 -6.659 5.959 11.232 849 H62 DA 100 2H6 DA 100 -6.040 4.340 10.944 850 H2 DA 100 2H DA 100 -11.072 5.771 10.848 851 H5' DA 101 1H5* DA 101 -11.178 0.363 6.023 852 H5'' DA 101 2H5* DA 101 -11.920 1.323 7.329 853 H4' DA 101 H4* DA 101 -13.199 2.579 5.503 854 H3' DA 101 H3* DA 101 -12.422 0.729 3.718 855 HO3' DA 101 H3T DA 101 -12.377 2.365 2.131 856 H2' DA 101 1H2* DA 101 -10.106 0.699 4.133 857 H2'' DA 101 2H2* DA 101 -10.116 1.940 2.848 858 H1' DA 101 H1* DA 101 -9.716 3.638 4.344 859 H8 DA 101 8H DA 101 -9.200 0.150 5.919 860 H61 DA 101 1H6 DA 101 -4.403 2.801 8.819 861 H62 DA 101 2H6 DA 101 -5.215 1.284 8.476 862 H2 DA 101 2H DA 101 -6.688 5.994 6.755 Start of MODEL 13 1 H1 MET 1 1H MET 1 -11.650 -18.870 -11.786 2 H2 MET 1 2H MET 1 -12.354 -17.393 -11.644 3 H3 MET 1 3H MET 1 -13.234 -18.677 -12.174 4 HA MET 1 HA MET 1 -13.805 -18.161 -9.922 5 HB2 MET 1 2HB MET 1 -12.250 -20.758 -10.230 6 HB3 MET 1 1HB MET 1 -13.340 -20.376 -8.889 7 HG2 MET 1 2HG MET 1 -15.204 -20.072 -10.488 8 HG3 MET 1 1HG MET 1 -14.123 -20.472 -11.827 9 HE1 MET 1 1HE MET 1 -15.807 -22.239 -12.715 10 HE2 MET 1 2HE MET 1 -16.503 -23.547 -11.730 11 HE3 MET 1 3HE MET 1 -16.913 -21.848 -11.388 12 H SER 2 H SER 2 -10.481 -19.569 -9.829 13 HA SER 2 HA SER 2 -8.744 -19.192 -8.452 14 HB2 SER 2 2HB SER 2 -9.604 -16.294 -8.682 15 HB3 SER 2 1HB SER 2 -7.989 -16.889 -8.243 16 HG SER 2 HG SER 2 -8.165 -16.374 -10.469 17 H GLU 3 H GLU 3 -11.354 -19.752 -7.102 18 HA GLU 3 HA GLU 3 -11.393 -18.155 -4.691 19 HB2 GLU 3 2HB GLU 3 -12.702 -20.815 -5.379 20 HB3 GLU 3 1HB GLU 3 -13.061 -19.836 -3.941 21 HG2 GLU 3 2HG GLU 3 -13.742 -17.956 -5.416 22 HG3 GLU 3 1HG GLU 3 -13.448 -18.972 -6.835 23 H GLN 4 H GLN 4 -9.205 -20.455 -5.727 24 HA GLN 4 HA GLN 4 -8.773 -21.766 -3.132 25 HB2 GLN 4 2HB GLN 4 -7.233 -21.801 -5.748 26 HB3 GLN 4 1HB GLN 4 -6.894 -22.845 -4.354 27 HG2 GLN 4 2HG GLN 4 -9.500 -22.817 -5.934 28 HG3 GLN 4 1HG GLN 4 -8.210 -24.012 -6.107 29 HE21 GLN 4 1HE2 GLN 4 -10.864 -24.240 -2.983 30 HE22 GLN 4 2HE2 GLN 4 -10.867 -22.880 -4.087 31 H LEU 5 H LEU 5 -7.905 -18.800 -4.597 32 HA LEU 5 HA LEU 5 -5.443 -18.564 -2.927 33 HB2 LEU 5 2HB LEU 5 -6.321 -17.276 -5.533 34 HB3 LEU 5 1HB LEU 5 -5.027 -16.603 -4.532 35 HG LEU 5 HG LEU 5 -4.132 -17.886 -6.370 36 HD11 LEU 5 1HD1 LEU 5 -2.902 -17.836 -4.220 37 HD12 LEU 5 2HD1 LEU 5 -3.690 -19.362 -3.741 38 HD13 LEU 5 3HD1 LEU 5 -2.593 -19.325 -5.137 39 HD21 LEU 5 1HD2 LEU 5 -4.396 -20.253 -6.648 40 HD22 LEU 5 2HD2 LEU 5 -5.373 -20.387 -5.182 41 HD23 LEU 5 3HD2 LEU 5 -6.019 -19.529 -6.607 42 H THR 6 H THR 6 -5.207 -16.871 -1.563 43 HA THR 6 HA THR 6 -7.418 -14.891 -1.383 44 HB THR 6 HB THR 6 -7.764 -16.534 0.366 45 HG1 THR 6 1HG THR 6 -7.681 -15.103 2.090 46 HG21 THR 6 1HG2 THR 6 -4.906 -15.901 1.215 47 HG22 THR 6 2HG2 THR 6 -6.076 -16.841 2.170 48 HG23 THR 6 3HG2 THR 6 -5.514 -17.463 0.606 49 H ASP 7 H ASP 7 -6.661 -12.931 -0.005 50 HA ASP 7 HA ASP 7 -4.369 -11.832 -1.297 51 HB2 ASP 7 2HB ASP 7 -5.851 -11.028 1.230 52 HB3 ASP 7 1HB ASP 7 -4.626 -10.032 0.435 53 H GLN 8 H GLN 8 -4.700 -13.799 1.590 54 HA GLN 8 HA GLN 8 -2.331 -12.954 2.934 55 HB2 GLN 8 2HB GLN 8 -4.328 -14.328 3.796 56 HB3 GLN 8 1HB GLN 8 -3.553 -15.732 3.030 57 HG2 GLN 8 2HG GLN 8 -1.496 -15.300 4.367 58 HG3 GLN 8 1HG GLN 8 -2.305 -13.933 5.148 59 HE21 GLN 8 1HE2 GLN 8 -2.702 -16.620 7.583 60 HE22 GLN 8 2HE2 GLN 8 -1.484 -15.507 6.990 61 H VAL 9 H VAL 9 -2.925 -15.481 0.433 62 HA VAL 9 HA VAL 9 -0.225 -16.543 0.777 63 HB VAL 9 HB VAL 9 -1.973 -18.109 0.346 64 HG11 VAL 9 1HG1 VAL 9 -2.607 -16.462 -2.116 65 HG12 VAL 9 2HG1 VAL 9 -3.308 -18.060 -1.732 66 HG13 VAL 9 3HG1 VAL 9 -3.605 -16.679 -0.651 67 HG21 VAL 9 1HG2 VAL 9 -1.166 -19.262 -1.630 68 HG22 VAL 9 2HG2 VAL 9 -0.414 -17.775 -2.249 69 HG23 VAL 9 3HG2 VAL 9 0.220 -18.547 -0.776 70 H LEU 10 H LEU 10 -1.855 -14.224 -1.334 71 HA LEU 10 HA LEU 10 0.184 -14.140 -3.360 72 HB2 LEU 10 2HB LEU 10 -2.054 -12.375 -2.393 73 HB3 LEU 10 1HB LEU 10 -0.784 -11.633 -3.380 74 HG LEU 10 HG LEU 10 -1.127 -13.170 -5.183 75 HD11 LEU 10 1HD1 LEU 10 -1.730 -15.187 -3.945 76 HD12 LEU 10 2HD1 LEU 10 -3.268 -14.423 -3.436 77 HD13 LEU 10 3HD1 LEU 10 -2.981 -14.811 -5.150 78 HD21 LEU 10 1HD2 LEU 10 -3.459 -12.537 -5.800 79 HD22 LEU 10 2HD2 LEU 10 -3.766 -12.073 -4.107 80 HD23 LEU 10 3HD2 LEU 10 -2.584 -11.172 -5.079 81 H VAL 11 H VAL 11 -0.156 -12.712 -0.142 82 HA VAL 11 HA VAL 11 2.008 -10.816 -0.454 83 HB VAL 11 HB VAL 11 0.480 -11.909 1.933 84 HG11 VAL 11 1HG1 VAL 11 2.637 -9.764 1.799 85 HG12 VAL 11 2HG1 VAL 11 1.548 -10.010 3.188 86 HG13 VAL 11 3HG1 VAL 11 2.715 -11.272 2.735 87 HG21 VAL 11 1HG2 VAL 11 -0.718 -10.415 0.339 88 HG22 VAL 11 2HG2 VAL 11 -0.516 -9.681 1.946 89 HG23 VAL 11 3HG2 VAL 11 0.531 -9.174 0.597 90 H GLU 12 H GLU 12 1.762 -14.169 0.863 91 HA GLU 12 HA GLU 12 4.399 -14.065 1.992 92 HB2 GLU 12 2HB GLU 12 2.744 -16.469 1.128 93 HB3 GLU 12 1HB GLU 12 4.212 -16.515 2.129 94 HG2 GLU 12 2HG GLU 12 3.025 -14.924 3.734 95 HG3 GLU 12 1HG GLU 12 1.557 -15.203 2.804 96 H ARG 13 H ARG 13 3.154 -14.824 -1.240 97 HA ARG 13 HA ARG 13 5.557 -16.085 -2.223 98 HB2 ARG 13 2HB ARG 13 3.188 -14.717 -3.540 99 HB3 ARG 13 1HB ARG 13 4.513 -15.441 -4.476 100 HG2 ARG 13 2HG ARG 13 4.122 -17.619 -3.486 101 HG3 ARG 13 1HG ARG 13 2.878 -16.954 -2.402 102 HD2 ARG 13 2HD ARG 13 1.503 -16.332 -4.352 103 HD3 ARG 13 1HD ARG 13 2.754 -16.952 -5.448 104 HE ARG 13 HE ARG 13 2.065 -19.031 -3.660 105 HH11 ARG 13 1HH1 ARG 13 0.585 -17.175 -6.282 106 HH12 ARG 13 2HH1 ARG 13 -0.493 -18.470 -6.748 107 HH21 ARG 13 1HH2 ARG 13 0.644 -20.697 -4.283 108 HH22 ARG 13 2HH2 ARG 13 -0.467 -20.454 -5.610 109 H VAL 14 H VAL 14 4.439 -12.647 -2.204 110 HA VAL 14 HA VAL 14 6.738 -11.831 -3.756 111 HB VAL 14 HB VAL 14 4.915 -10.462 -4.017 112 HG11 VAL 14 1HG1 VAL 14 3.642 -11.106 -2.010 113 HG12 VAL 14 2HG1 VAL 14 4.679 -10.023 -1.030 114 HG13 VAL 14 3HG1 VAL 14 3.634 -9.368 -2.330 115 HG21 VAL 14 1HG2 VAL 14 7.000 -9.140 -3.743 116 HG22 VAL 14 2HG2 VAL 14 5.557 -8.243 -3.224 117 HG23 VAL 14 3HG2 VAL 14 6.629 -8.950 -2.008 118 H GLN 15 H GLN 15 6.285 -12.489 -0.322 119 HA GLN 15 HA GLN 15 8.720 -11.127 0.452 120 HB2 GLN 15 2HB GLN 15 7.204 -13.444 1.724 121 HB3 GLN 15 1HB GLN 15 8.624 -12.647 2.429 122 HG2 GLN 15 2HG GLN 15 7.414 -10.461 2.319 123 HG3 GLN 15 1HG GLN 15 5.956 -11.324 1.804 124 HE21 GLN 15 1HE2 GLN 15 5.735 -10.830 5.494 125 HE22 GLN 15 2HE2 GLN 15 5.708 -9.855 4.044 126 H LYS 16 H LYS 16 7.967 -14.307 -1.005 127 HA LYS 16 HA LYS 16 10.674 -15.310 -0.654 128 HB2 LYS 16 2HB LYS 16 8.344 -16.230 -2.395 129 HB3 LYS 16 1HB LYS 16 9.822 -17.148 -2.103 130 HG2 LYS 16 2HG LYS 16 7.724 -16.374 -0.042 131 HG3 LYS 16 1HG LYS 16 8.043 -17.994 -0.680 132 HD2 LYS 16 2HD LYS 16 10.304 -17.928 0.336 133 HD3 LYS 16 1HD LYS 16 9.953 -16.302 0.987 134 HE2 LYS 16 2HE LYS 16 8.038 -17.184 2.241 135 HE3 LYS 16 1HE LYS 16 8.335 -18.803 1.584 136 HZ1 LYS 16 1HZ LYS 16 10.194 -17.290 3.296 137 HZ2 LYS 16 2HZ LYS 16 9.263 -18.556 3.777 138 HZ3 LYS 16 3HZ LYS 16 10.472 -18.790 2.688 139 H GLY 17 H GLY 17 9.219 -13.060 -2.798 140 HA2 GLY 17 2HA GLY 17 10.781 -11.777 -4.127 141 HA3 GLY 17 3HA GLY 17 11.615 -13.283 -4.564 142 H ASP 18 H ASP 18 8.337 -14.007 -4.584 143 HA ASP 18 HA ASP 18 8.195 -13.842 -7.504 144 HB2 ASP 18 2HB ASP 18 6.562 -15.066 -5.271 145 HB3 ASP 18 1HB ASP 18 5.842 -14.844 -6.852 146 H GLN 19 H GLN 19 8.235 -11.575 -7.817 147 HA GLN 19 HA GLN 19 6.354 -9.817 -6.553 148 HB2 GLN 19 2HB GLN 19 7.129 -8.187 -8.218 149 HB3 GLN 19 1HB GLN 19 8.483 -9.022 -7.442 150 HG2 GLN 19 2HG GLN 19 8.655 -10.544 -9.389 151 HG3 GLN 19 1HG GLN 19 7.295 -9.712 -10.170 152 HE21 GLN 19 1HE2 GLN 19 11.005 -7.862 -9.955 153 HE22 GLN 19 2HE2 GLN 19 10.608 -9.160 -8.850 154 H LYS 20 H LYS 20 5.964 -12.156 -9.011 155 HA LYS 20 HA LYS 20 3.895 -10.866 -10.531 156 HB2 LYS 20 2HB LYS 20 3.455 -13.149 -11.372 157 HB3 LYS 20 1HB LYS 20 5.166 -12.737 -11.391 158 HG2 LYS 20 2HG LYS 20 5.294 -14.858 -10.581 159 HG3 LYS 20 1HG LYS 20 5.238 -13.966 -9.057 160 HD2 LYS 20 2HD LYS 20 2.740 -14.404 -8.987 161 HD3 LYS 20 1HD LYS 20 2.909 -15.361 -10.465 162 HE2 LYS 20 2HE LYS 20 4.258 -15.907 -7.787 163 HE3 LYS 20 1HE LYS 20 2.882 -16.787 -8.464 164 HZ1 LYS 20 1HZ LYS 20 5.595 -16.690 -9.604 165 HZ2 LYS 20 2HZ LYS 20 4.898 -17.973 -8.861 166 HZ3 LYS 20 3HZ LYS 20 4.310 -17.442 -10.302 167 H ALA 21 H ALA 21 3.961 -12.495 -7.408 168 HA ALA 21 HA ALA 21 1.064 -12.793 -7.273 169 HB1 ALA 21 1HB ALA 21 1.520 -13.422 -4.947 170 HB2 ALA 21 2HB ALA 21 2.616 -14.278 -6.054 171 HB3 ALA 21 3HB ALA 21 3.206 -12.885 -5.112 172 H PHE 22 H PHE 22 3.515 -10.394 -6.230 173 HA PHE 22 HA PHE 22 1.711 -8.687 -4.823 174 HB2 PHE 22 2HB PHE 22 4.143 -8.574 -4.663 175 HB3 PHE 22 1HB PHE 22 4.264 -8.087 -6.352 176 HD1 PHE 22 1HD PHE 22 4.506 -5.795 -6.780 177 HD2 PHE 22 2HD PHE 22 2.488 -7.063 -3.202 178 HE1 PHE 22 1HE PHE 22 4.317 -3.425 -6.037 179 HE2 PHE 22 2HE PHE 22 2.307 -4.703 -2.463 180 HZ PHE 22 HZ PHE 22 3.206 -2.884 -3.887 181 H ASN 23 H ASN 23 2.516 -9.071 -8.306 182 HA ASN 23 HA ASN 23 1.339 -6.654 -9.238 183 HB2 ASN 23 2HB ASN 23 2.813 -8.255 -10.527 184 HB3 ASN 23 1HB ASN 23 1.424 -9.339 -10.664 185 HD21 ASN 23 1HD2 ASN 23 1.031 -7.607 -13.769 186 HD22 ASN 23 2HD2 ASN 23 1.744 -9.026 -13.021 187 H LEU 24 H LEU 24 -0.019 -9.917 -8.633 188 HA LEU 24 HA LEU 24 -2.636 -9.229 -9.651 189 HB2 LEU 24 2HB LEU 24 -1.712 -11.486 -7.824 190 HB3 LEU 24 1HB LEU 24 -3.253 -11.439 -8.701 191 HG LEU 24 HG LEU 24 -0.517 -11.387 -10.040 192 HD11 LEU 24 1HD1 LEU 24 -2.466 -13.681 -9.631 193 HD12 LEU 24 2HD1 LEU 24 -0.978 -13.735 -10.613 194 HD13 LEU 24 3HD1 LEU 24 -0.873 -13.487 -8.856 195 HD21 LEU 24 1HD2 LEU 24 -2.255 -10.370 -11.419 196 HD22 LEU 24 2HD2 LEU 24 -1.807 -11.955 -12.069 197 HD23 LEU 24 3HD2 LEU 24 -3.325 -11.774 -11.151 198 H LEU 25 H LEU 25 -0.980 -8.888 -6.597 199 HA LEU 25 HA LEU 25 -3.421 -8.521 -5.041 200 HB2 LEU 25 2HB LEU 25 -1.338 -9.601 -4.185 201 HB3 LEU 25 1HB LEU 25 -0.485 -8.064 -4.370 202 HG LEU 25 HG LEU 25 -1.980 -7.021 -2.700 203 HD11 LEU 25 1HD1 LEU 25 -4.026 -8.367 -3.047 204 HD12 LEU 25 2HD1 LEU 25 -3.175 -9.823 -2.479 205 HD13 LEU 25 3HD1 LEU 25 -3.491 -8.480 -1.361 206 HD21 LEU 25 1HD2 LEU 25 -0.782 -9.682 -1.823 207 HD22 LEU 25 2HD2 LEU 25 0.115 -8.155 -2.015 208 HD23 LEU 25 3HD2 LEU 25 -1.147 -8.302 -0.765 209 H VAL 26 H VAL 26 -1.093 -6.507 -6.786 210 HA VAL 26 HA VAL 26 -1.808 -4.032 -5.458 211 HB VAL 26 HB VAL 26 -0.258 -4.771 -7.951 212 HG11 VAL 26 1HG1 VAL 26 0.302 -2.347 -8.182 213 HG12 VAL 26 2HG1 VAL 26 -1.402 -2.674 -8.534 214 HG13 VAL 26 3HG1 VAL 26 -0.935 -1.961 -6.970 215 HG21 VAL 26 1HG2 VAL 26 0.482 -3.263 -5.410 216 HG22 VAL 26 2HG2 VAL 26 0.778 -4.991 -5.675 217 HG23 VAL 26 3HG2 VAL 26 1.587 -3.786 -6.704 218 H VAL 27 H VAL 27 -2.626 -5.406 -8.708 219 HA VAL 27 HA VAL 27 -4.247 -3.189 -9.432 220 HB VAL 27 HB VAL 27 -3.276 -4.871 -10.980 221 HG11 VAL 27 1HG1 VAL 27 -5.541 -6.670 -10.017 222 HG12 VAL 27 2HG1 VAL 27 -4.398 -7.006 -11.337 223 HG13 VAL 27 3HG1 VAL 27 -3.813 -6.910 -9.662 224 HG21 VAL 27 1HG2 VAL 27 -5.133 -3.383 -11.703 225 HG22 VAL 27 2HG2 VAL 27 -5.159 -4.956 -12.529 226 HG23 VAL 27 3HG2 VAL 27 -6.302 -4.630 -11.214 227 H ARG 28 H ARG 28 -4.929 -5.971 -7.410 228 HA ARG 28 HA ARG 28 -7.801 -5.867 -7.537 229 HB2 ARG 28 2HB ARG 28 -6.591 -7.848 -6.829 230 HB3 ARG 28 1HB ARG 28 -5.782 -6.956 -5.530 231 HG2 ARG 28 2HG ARG 28 -7.874 -6.646 -4.344 232 HG3 ARG 28 1HG ARG 28 -8.796 -7.359 -5.677 233 HD2 ARG 28 2HD ARG 28 -6.650 -8.799 -4.056 234 HD3 ARG 28 1HD ARG 28 -8.396 -8.962 -3.791 235 HE ARG 28 HE ARG 28 -8.144 -9.579 -6.442 236 HH11 ARG 28 1HH1 ARG 28 -6.562 -10.798 -3.519 237 HH12 ARG 28 2HH1 ARG 28 -6.277 -12.384 -4.201 238 HH21 ARG 28 1HH2 ARG 28 -7.754 -11.660 -7.293 239 HH22 ARG 28 2HH2 ARG 28 -6.937 -12.865 -6.325 240 H TYR 29 H TYR 29 -5.382 -4.577 -5.221 241 HA TYR 29 HA TYR 29 -7.487 -3.096 -3.805 242 HB2 TYR 29 2HB TYR 29 -4.562 -3.639 -3.323 243 HB3 TYR 29 1HB TYR 29 -5.429 -2.397 -2.415 244 HD1 TYR 29 1HD TYR 29 -5.617 -6.035 -3.340 245 HD2 TYR 29 2HD TYR 29 -6.734 -2.947 -0.562 246 HE1 TYR 29 1HE TYR 29 -6.607 -7.747 -1.847 247 HE2 TYR 29 2HE TYR 29 -7.737 -4.655 0.936 248 HH TYR 29 HH TYR 29 -7.729 -8.142 0.137 249 H GLN 30 H GLN 30 -5.496 -2.510 -6.516 250 HA GLN 30 HA GLN 30 -4.714 0.165 -6.132 251 HB2 GLN 30 2HB GLN 30 -3.879 -1.251 -7.921 252 HB3 GLN 30 1HB GLN 30 -5.506 -1.417 -8.608 253 HG2 GLN 30 2HG GLN 30 -5.531 0.904 -9.258 254 HG3 GLN 30 1HG GLN 30 -4.001 1.213 -8.398 255 HE21 GLN 30 1HE2 GLN 30 -3.963 -0.994 -11.926 256 HE22 GLN 30 2HE2 GLN 30 -5.405 -0.952 -10.937 257 H HIS 31 H HIS 31 -7.916 -1.194 -6.837 258 HA HIS 31 HA HIS 31 -8.980 1.477 -7.460 259 HB2 HIS 31 2HB HIS 31 -9.833 -0.542 -8.590 260 HB3 HIS 31 1HB HIS 31 -10.364 -1.191 -7.038 261 HD2 HIS 31 2HD HIS 31 -11.013 1.948 -9.280 262 HE1 HIS 31 1HE HIS 31 -14.614 1.112 -7.170 263 HE2 HIS 31 2HE HIS 31 -13.519 2.616 -8.917 264 H LYS 32 H LYS 32 -8.836 -0.750 -4.651 265 HA LYS 32 HA LYS 32 -10.694 0.837 -3.068 266 HB2 LYS 32 2HB LYS 32 -8.675 -1.362 -2.461 267 HB3 LYS 32 1HB LYS 32 -9.571 -0.536 -1.191 268 HG2 LYS 32 2HG LYS 32 -10.654 -2.605 -1.685 269 HG3 LYS 32 1HG LYS 32 -11.706 -1.266 -2.160 270 HD2 LYS 32 2HD LYS 32 -9.921 -2.509 -4.250 271 HD3 LYS 32 1HD LYS 32 -11.334 -3.416 -3.696 272 HE2 LYS 32 2HE LYS 32 -11.456 -0.564 -4.752 273 HE3 LYS 32 1HE LYS 32 -11.788 -2.013 -5.717 274 HZ1 LYS 32 1HZ LYS 32 -13.279 -1.192 -3.321 275 HZ2 LYS 32 2HZ LYS 32 -13.790 -1.057 -4.878 276 HZ3 LYS 32 3HZ LYS 32 -13.567 -2.544 -4.220 277 H VAL 33 H VAL 33 -7.130 0.613 -3.314 278 HA VAL 33 HA VAL 33 -6.624 2.358 -1.098 279 HB VAL 33 HB VAL 33 -5.115 0.585 -2.137 280 HG11 VAL 33 1HG1 VAL 33 -5.351 1.378 -4.508 281 HG12 VAL 33 2HG1 VAL 33 -4.463 2.852 -4.069 282 HG13 VAL 33 3HG1 VAL 33 -3.658 1.270 -3.968 283 HG21 VAL 33 1HG2 VAL 33 -3.920 3.358 -1.778 284 HG22 VAL 33 2HG2 VAL 33 -4.298 2.210 -0.460 285 HG23 VAL 33 3HG2 VAL 33 -3.052 1.816 -1.668 286 H ALA 34 H ALA 34 -7.300 2.840 -4.519 287 HA ALA 34 HA ALA 34 -6.371 5.580 -4.598 288 HB1 ALA 34 1HB ALA 34 -7.493 5.594 -6.793 289 HB2 ALA 34 2HB ALA 34 -6.496 4.131 -6.602 290 HB3 ALA 34 3HB ALA 34 -8.259 4.031 -6.420 291 H SER 35 H SER 35 -9.387 3.955 -3.661 292 HA SER 35 HA SER 35 -10.991 6.357 -3.814 293 HB2 SER 35 2HB SER 35 -11.899 4.050 -3.875 294 HB3 SER 35 1HB SER 35 -11.391 3.817 -2.189 295 HG SER 35 HG SER 35 -13.577 4.479 -2.378 296 H LEU 36 H LEU 36 -8.811 4.886 -1.417 297 HA LEU 36 HA LEU 36 -9.730 6.476 0.790 298 HB2 LEU 36 2HB LEU 36 -8.313 4.357 0.925 299 HB3 LEU 36 1HB LEU 36 -6.947 5.311 0.331 300 HG LEU 36 HG LEU 36 -7.244 6.878 2.289 301 HD11 LEU 36 1HD1 LEU 36 -8.530 6.011 4.232 302 HD12 LEU 36 2HD1 LEU 36 -9.597 6.353 2.858 303 HD13 LEU 36 3HD1 LEU 36 -9.132 4.672 3.229 304 HD21 LEU 36 1HD2 LEU 36 -6.730 3.931 2.811 305 HD22 LEU 36 2HD2 LEU 36 -5.545 5.140 2.263 306 HD23 LEU 36 3HD2 LEU 36 -6.240 5.264 3.896 307 H VAL 37 H VAL 37 -7.025 6.849 -1.557 308 HA VAL 37 HA VAL 37 -6.187 9.284 -0.214 309 HB VAL 37 HB VAL 37 -4.558 7.675 -0.917 310 HG11 VAL 37 1HG1 VAL 37 -3.995 7.339 -3.278 311 HG12 VAL 37 2HG1 VAL 37 -5.632 6.747 -2.911 312 HG13 VAL 37 3HG1 VAL 37 -5.420 8.295 -3.758 313 HG21 VAL 37 1HG2 VAL 37 -2.986 9.185 -1.822 314 HG22 VAL 37 2HG2 VAL 37 -4.228 10.109 -2.697 315 HG23 VAL 37 3HG2 VAL 37 -4.144 10.204 -0.921 316 H SER 38 H SER 38 -8.366 8.634 -2.844 317 HA SER 38 HA SER 38 -7.982 11.057 -4.317 318 HB2 SER 38 2HB SER 38 -10.261 10.684 -5.116 319 HB3 SER 38 1HB SER 38 -9.339 9.167 -5.120 320 HG SER 38 HG SER 38 -11.436 8.939 -4.211 321 H ARG 39 H ARG 39 -9.326 10.453 -1.139 322 HA ARG 39 HA ARG 39 -10.743 12.968 -0.896 323 HB2 ARG 39 2HB ARG 39 -9.911 10.674 0.880 324 HB3 ARG 39 1HB ARG 39 -10.424 12.194 1.616 325 HG2 ARG 39 2HG ARG 39 -12.292 10.624 1.415 326 HG3 ARG 39 1HG ARG 39 -12.551 12.120 0.490 327 HD2 ARG 39 2HD ARG 39 -11.922 10.915 -1.591 328 HD3 ARG 39 1HD ARG 39 -11.694 9.429 -0.644 329 HE ARG 39 HE ARG 39 -14.326 10.764 -0.451 330 HH11 ARG 39 1HH1 ARG 39 -12.407 8.181 -1.916 331 HH12 ARG 39 2HH1 ARG 39 -13.806 7.270 -2.424 332 HH21 ARG 39 1HH2 ARG 39 -16.138 9.552 -1.125 333 HH22 ARG 39 2HH2 ARG 39 -15.908 8.036 -1.965 334 H TYR 40 H TYR 40 -7.414 12.226 -1.028 335 HA TYR 40 HA TYR 40 -6.758 14.507 0.785 336 HB2 TYR 40 2HB TYR 40 -5.167 12.004 0.144 337 HB3 TYR 40 1HB TYR 40 -4.598 13.347 1.135 338 HD1 TYR 40 1HD TYR 40 -4.930 13.307 3.445 339 HD2 TYR 40 2HD TYR 40 -7.378 10.845 0.917 340 HE1 TYR 40 1HE TYR 40 -5.962 12.272 5.456 341 HE2 TYR 40 2HE TYR 40 -8.454 9.841 2.921 342 HH TYR 40 HH TYR 40 -7.531 10.800 6.243 343 H VAL 41 H VAL 41 -6.438 13.181 -2.453 344 HA VAL 41 HA VAL 41 -4.977 15.654 -3.194 345 HB VAL 41 HB VAL 41 -3.484 14.510 -4.665 346 HG11 VAL 41 1HG1 VAL 41 -3.422 13.155 -1.933 347 HG12 VAL 41 2HG1 VAL 41 -2.052 13.360 -3.044 348 HG13 VAL 41 3HG1 VAL 41 -2.789 14.782 -2.284 349 HG21 VAL 41 1HG2 VAL 41 -3.292 12.047 -4.701 350 HG22 VAL 41 2HG2 VAL 41 -4.774 11.934 -3.719 351 HG23 VAL 41 3HG2 VAL 41 -4.832 12.621 -5.363 352 HA PRO 42 HA PRO 42 -7.988 16.000 -6.346 353 HB2 PRO 42 2HB PRO 42 -5.702 16.657 -8.195 354 HB3 PRO 42 1HB PRO 42 -7.222 17.573 -7.920 355 HG2 PRO 42 2HG PRO 42 -4.905 18.426 -6.792 356 HG3 PRO 42 1HG PRO 42 -6.414 18.399 -5.816 357 HD2 PRO 42 2HD PRO 42 -4.185 16.340 -5.900 358 HD3 PRO 42 1HD PRO 42 -4.972 17.094 -4.475 359 H SER 43 H SER 43 -8.863 14.908 -8.178 360 HA SER 43 HA SER 43 -7.994 12.220 -8.492 361 HB2 SER 43 2HB SER 43 -9.775 12.126 -10.213 362 HB3 SER 43 1HB SER 43 -10.331 12.917 -8.720 363 HG SER 43 HG SER 43 -10.919 14.088 -10.599 364 H GLY 44 H GLY 44 -6.824 15.099 -9.974 365 HA2 GLY 44 2HA GLY 44 -5.985 13.843 -12.477 366 HA3 GLY 44 3HA GLY 44 -5.593 15.472 -11.886 367 H ASP 45 H ASP 45 -4.777 13.961 -9.223 368 HA ASP 45 HA ASP 45 -2.084 13.107 -10.185 369 HB2 ASP 45 2HB ASP 45 -2.816 14.718 -7.712 370 HB3 ASP 45 1HB ASP 45 -1.204 14.106 -8.090 371 H VAL 46 H VAL 46 -4.926 12.074 -8.733 372 HA VAL 46 HA VAL 46 -3.877 10.757 -6.447 373 HB VAL 46 HB VAL 46 -6.240 11.426 -6.786 374 HG11 VAL 46 1HG1 VAL 46 -6.670 10.507 -9.037 375 HG12 VAL 46 2HG1 VAL 46 -6.450 8.852 -8.395 376 HG13 VAL 46 3HG1 VAL 46 -7.788 9.867 -7.806 377 HG21 VAL 46 1HG2 VAL 46 -5.522 9.972 -4.984 378 HG22 VAL 46 2HG2 VAL 46 -7.128 9.486 -5.582 379 HG23 VAL 46 3HG2 VAL 46 -5.699 8.537 -6.036 380 HA PRO 47 HA PRO 47 -3.621 6.737 -8.998 381 HB2 PRO 47 2HB PRO 47 -2.863 6.834 -11.608 382 HB3 PRO 47 1HB PRO 47 -4.581 6.969 -11.112 383 HG2 PRO 47 2HG PRO 47 -2.639 9.232 -11.702 384 HG3 PRO 47 1HG PRO 47 -4.280 8.990 -12.396 385 HD2 PRO 47 2HD PRO 47 -3.887 10.615 -10.288 386 HD3 PRO 47 1HD PRO 47 -5.324 9.536 -10.345 387 H ASP 48 H ASP 48 -1.584 9.578 -9.399 388 HA ASP 48 HA ASP 48 0.869 8.032 -9.750 389 HB2 ASP 48 2HB ASP 48 0.533 10.285 -10.720 390 HB3 ASP 48 1HB ASP 48 0.438 10.964 -9.090 391 H VAL 49 H VAL 49 -0.981 9.461 -7.077 392 HA VAL 49 HA VAL 49 1.140 9.054 -5.110 393 HB VAL 49 HB VAL 49 -1.844 9.594 -4.788 394 HG11 VAL 49 1HG1 VAL 49 0.452 9.826 -2.811 395 HG12 VAL 49 2HG1 VAL 49 -1.224 10.339 -2.521 396 HG13 VAL 49 3HG1 VAL 49 -0.870 8.620 -2.754 397 HG21 VAL 49 1HG2 VAL 49 -1.108 11.921 -4.333 398 HG22 VAL 49 2HG2 VAL 49 0.570 11.464 -4.689 399 HG23 VAL 49 3HG2 VAL 49 -0.656 11.427 -5.974 400 H VAL 50 H VAL 50 -1.535 7.191 -6.482 401 HA VAL 50 HA VAL 50 -1.649 5.194 -4.410 402 HB VAL 50 HB VAL 50 -2.564 5.384 -7.295 403 HG11 VAL 50 1HG1 VAL 50 -2.061 3.031 -7.038 404 HG12 VAL 50 2HG1 VAL 50 -2.786 3.005 -5.415 405 HG13 VAL 50 3HG1 VAL 50 -3.811 3.241 -6.854 406 HG21 VAL 50 1HG2 VAL 50 -4.048 5.082 -4.651 407 HG22 VAL 50 2HG2 VAL 50 -3.753 6.631 -5.472 408 HG23 VAL 50 3HG2 VAL 50 -4.761 5.402 -6.252 409 H GLN 51 H GLN 51 0.140 5.463 -7.534 410 HA GLN 51 HA GLN 51 1.319 2.844 -7.299 411 HB2 GLN 51 2HB GLN 51 1.027 4.098 -9.421 412 HB3 GLN 51 1HB GLN 51 2.210 5.299 -8.861 413 HG2 GLN 51 2HG GLN 51 3.941 3.554 -8.718 414 HG3 GLN 51 1HG GLN 51 2.764 2.324 -9.199 415 HE21 GLN 51 1HE2 GLN 51 4.590 3.070 -12.291 416 HE22 GLN 51 2HE2 GLN 51 4.830 2.231 -10.775 417 H GLU 52 H GLU 52 2.189 6.105 -6.146 418 HA GLU 52 HA GLU 52 4.881 5.473 -5.411 419 HB2 GLU 52 2HB GLU 52 3.925 7.763 -5.696 420 HB3 GLU 52 1HB GLU 52 2.930 7.511 -4.255 421 HG2 GLU 52 2HG GLU 52 4.925 8.810 -3.702 422 HG3 GLU 52 1HG GLU 52 4.962 7.255 -2.874 423 H ALA 53 H ALA 53 1.717 5.020 -3.852 424 HA ALA 53 HA ALA 53 2.847 4.299 -1.279 425 HB1 ALA 53 1HB ALA 53 0.058 3.915 -2.442 426 HB2 ALA 53 2HB ALA 53 0.514 3.722 -0.734 427 HB3 ALA 53 3HB ALA 53 0.622 5.321 -1.504 428 H PHE 54 H PHE 54 2.036 2.588 -4.283 429 HA PHE 54 HA PHE 54 2.123 -0.035 -3.023 430 HB2 PHE 54 2HB PHE 54 1.900 1.041 -5.830 431 HB3 PHE 54 1HB PHE 54 2.305 -0.652 -5.576 432 HD1 PHE 54 1HD PHE 54 0.693 -1.588 -3.401 433 HD2 PHE 54 2HD PHE 54 -0.316 1.277 -6.445 434 HE1 PHE 54 1HE PHE 54 -1.708 -2.178 -3.169 435 HE2 PHE 54 2HE PHE 54 -2.698 0.676 -6.229 436 HZ PHE 54 HZ PHE 54 -3.404 -1.068 -4.595 437 H ILE 55 H ILE 55 4.479 2.132 -4.615 438 HA ILE 55 HA ILE 55 6.520 0.072 -4.790 439 HB ILE 55 HB ILE 55 6.643 3.117 -4.695 440 HG12 ILE 55 2HG1 ILE 55 5.682 2.466 -6.767 441 HG13 ILE 55 1HG1 ILE 55 7.391 2.730 -7.111 442 HG21 ILE 55 1HG2 ILE 55 8.886 1.110 -5.131 443 HG22 ILE 55 2HG2 ILE 55 8.994 2.862 -5.444 444 HG23 ILE 55 3HG2 ILE 55 8.727 2.273 -3.796 445 HD11 ILE 55 1HD1 ILE 55 5.986 0.058 -6.701 446 HD12 ILE 55 2HD1 ILE 55 6.665 0.691 -8.214 447 HD13 ILE 55 3HD1 ILE 55 7.748 0.233 -6.872 448 H LYS 56 H LYS 56 5.554 2.453 -2.333 449 HA LYS 56 HA LYS 56 7.625 1.721 -0.464 450 HB2 LYS 56 2HB LYS 56 4.921 3.102 -0.235 451 HB3 LYS 56 1HB LYS 56 6.018 2.877 1.150 452 HG2 LYS 56 2HG LYS 56 7.771 4.100 0.048 453 HG3 LYS 56 1HG LYS 56 6.860 4.192 -1.471 454 HD2 LYS 56 2HD LYS 56 5.283 5.709 -0.612 455 HD3 LYS 56 1HD LYS 56 5.678 5.334 1.071 456 HE2 LYS 56 2HE LYS 56 6.565 7.542 0.339 457 HE3 LYS 56 1HE LYS 56 7.815 6.428 0.917 458 HZ1 LYS 56 1HZ LYS 56 7.192 6.896 -1.924 459 HZ2 LYS 56 2HZ LYS 56 8.459 7.552 -1.107 460 HZ3 LYS 56 3HZ LYS 56 8.370 5.927 -1.340 461 H ALA 57 H ALA 57 4.428 0.414 -1.274 462 HA ALA 57 HA ALA 57 4.230 -1.264 1.053 463 HB1 ALA 57 1HB ALA 57 2.987 -1.552 -1.710 464 HB2 ALA 57 2HB ALA 57 2.455 -2.385 -0.238 465 HB3 ALA 57 3HB ALA 57 2.292 -0.618 -0.359 466 H TYR 58 H TYR 58 5.795 -1.601 -2.152 467 HA TYR 58 HA TYR 58 6.253 -4.447 -1.857 468 HB2 TYR 58 2HB TYR 58 6.112 -3.411 -4.045 469 HB3 TYR 58 1HB TYR 58 7.438 -2.312 -3.659 470 HD1 TYR 58 1HD TYR 58 6.572 -5.881 -4.270 471 HD2 TYR 58 2HD TYR 58 9.706 -2.956 -3.927 472 HE1 TYR 58 1HE TYR 58 8.204 -7.535 -5.146 473 HE2 TYR 58 2HE TYR 58 11.343 -4.594 -4.811 474 HH TYR 58 HH TYR 58 10.390 -7.933 -5.717 475 H ARG 59 H ARG 59 8.273 -1.504 -1.498 476 HA ARG 59 HA ARG 59 10.649 -2.922 -0.715 477 HB2 ARG 59 2HB ARG 59 9.783 -0.035 -0.379 478 HB3 ARG 59 1HB ARG 59 11.427 -0.628 -0.079 479 HG2 ARG 59 2HG ARG 59 9.945 -0.772 -2.749 480 HG3 ARG 59 1HG ARG 59 11.175 0.426 -2.324 481 HD2 ARG 59 2HD ARG 59 11.599 -2.584 -2.461 482 HD3 ARG 59 1HD ARG 59 12.095 -1.414 -3.692 483 HE ARG 59 HE ARG 59 13.375 -1.943 -1.098 484 HH11 ARG 59 1HH1 ARG 59 13.104 0.297 -3.832 485 HH12 ARG 59 2HH1 ARG 59 14.648 1.048 -3.511 486 HH21 ARG 59 1HH2 ARG 59 15.388 -0.946 -0.719 487 HH22 ARG 59 2HH2 ARG 59 15.930 0.352 -1.759 488 H ALA 60 H ALA 60 7.764 -2.315 0.988 489 HA ALA 60 HA ALA 60 9.213 -2.883 3.534 490 HB1 ALA 60 1HB ALA 60 6.551 -1.467 3.156 491 HB2 ALA 60 2HB ALA 60 7.362 -1.785 4.708 492 HB3 ALA 60 3HB ALA 60 8.102 -0.682 3.528 493 H LEU 61 H LEU 61 7.392 -4.380 1.148 494 HA LEU 61 HA LEU 61 5.547 -5.840 2.799 495 HB2 LEU 61 2HB LEU 61 6.213 -5.637 -0.011 496 HB3 LEU 61 1HB LEU 61 6.233 -7.340 0.448 497 HG LEU 61 HG LEU 61 3.932 -5.412 1.011 498 HD11 LEU 61 1HD1 LEU 61 4.242 -7.650 -1.024 499 HD12 LEU 61 2HD1 LEU 61 2.770 -6.684 -0.738 500 HD13 LEU 61 3HD1 LEU 61 4.236 -5.907 -1.383 501 HD21 LEU 61 1HD2 LEU 61 2.698 -7.518 1.529 502 HD22 LEU 61 2HD2 LEU 61 4.234 -8.414 1.368 503 HD23 LEU 61 3HD2 LEU 61 4.029 -7.222 2.668 504 H ASP 62 H ASP 62 8.938 -6.268 1.915 505 HA ASP 62 HA ASP 62 9.067 -8.966 2.998 506 HB2 ASP 62 2HB ASP 62 11.474 -8.732 2.677 507 HB3 ASP 62 1HB ASP 62 10.609 -8.181 1.235 508 H SER 63 H SER 63 8.500 -6.066 4.475 509 HA SER 63 HA SER 63 9.751 -6.990 7.016 510 HB2 SER 63 2HB SER 63 10.689 -4.859 6.089 511 HB3 SER 63 1HB SER 63 9.070 -4.135 6.204 512 HG SER 63 HG SER 63 10.367 -3.716 8.052 513 H PHE 64 H PHE 64 6.891 -6.573 5.253 514 HA PHE 64 HA PHE 64 5.052 -5.917 7.356 515 HB2 PHE 64 2HB PHE 64 4.467 -5.660 4.999 516 HB3 PHE 64 1HB PHE 64 4.787 -7.358 4.701 517 HD1 PHE 64 1HD PHE 64 2.606 -5.213 6.898 518 HD2 PHE 64 2HD PHE 64 3.007 -8.837 4.624 519 HE1 PHE 64 1HE PHE 64 0.241 -5.788 7.390 520 HE2 PHE 64 2HE PHE 64 0.637 -9.401 5.103 521 HZ PHE 64 HZ PHE 64 -0.733 -7.889 6.507 522 H ASP 65 H ASP 65 3.928 -7.243 8.756 523 HA ASP 65 HA ASP 65 4.847 -10.047 8.987 524 HB2 ASP 65 2HB ASP 65 4.816 -8.644 11.000 525 HB3 ASP 65 1HB ASP 65 3.091 -8.325 10.773 526 H ILE 66 H ILE 66 3.787 -11.508 7.810 527 HA ILE 66 HA ILE 66 1.367 -10.986 6.452 528 HB ILE 66 HB ILE 66 2.966 -12.596 5.629 529 HG12 ILE 66 2HG1 ILE 66 1.560 -14.617 5.298 530 HG13 ILE 66 1HG1 ILE 66 0.445 -14.063 6.544 531 HG21 ILE 66 1HG2 ILE 66 2.461 -14.175 8.173 532 HG22 ILE 66 2HG2 ILE 66 3.438 -14.715 6.781 533 HG23 ILE 66 3HG2 ILE 66 3.962 -13.315 7.724 534 HD11 ILE 66 1HD1 ILE 66 1.179 -12.510 4.019 535 HD12 ILE 66 2HD1 ILE 66 -0.316 -13.457 4.245 536 HD13 ILE 66 3HD1 ILE 66 -0.023 -12.008 5.230 537 H ASN 67 H ASN 67 1.935 -11.998 9.730 538 HA ASN 67 HA ASN 67 -0.605 -13.387 9.999 539 HB2 ASN 67 2HB ASN 67 1.410 -12.506 12.094 540 HB3 ASN 67 1HB ASN 67 0.054 -13.647 12.311 541 HD21 ASN 67 1HD2 ASN 67 3.470 -14.874 10.398 542 HD22 ASN 67 2HD2 ASN 67 3.218 -13.183 10.813 543 H ARG 68 H ARG 68 0.084 -10.226 9.621 544 HA ARG 68 HA ARG 68 -2.197 -9.278 11.307 545 HB2 ARG 68 2HB ARG 68 0.271 -7.882 10.239 546 HB3 ARG 68 1HB ARG 68 -1.109 -7.016 10.943 547 HG2 ARG 68 2HG ARG 68 -0.833 -8.314 13.053 548 HG3 ARG 68 1HG ARG 68 0.569 -9.146 12.341 549 HD2 ARG 68 2HD ARG 68 1.735 -6.993 12.088 550 HD3 ARG 68 1HD ARG 68 0.331 -6.149 12.776 551 HE ARG 68 HE ARG 68 1.133 -8.145 14.619 552 HH11 ARG 68 1HH1 ARG 68 2.386 -5.149 13.225 553 HH12 ARG 68 2HH1 ARG 68 3.328 -4.740 14.640 554 HH21 ARG 68 1HH2 ARG 68 2.382 -7.597 16.453 555 HH22 ARG 68 2HH2 ARG 68 3.334 -6.131 16.457 556 H LYS 69 H LYS 69 -3.324 -7.317 10.196 557 HA LYS 69 HA LYS 69 -4.497 -8.407 7.830 558 HB2 LYS 69 2HB LYS 69 -5.692 -6.986 9.525 559 HB3 LYS 69 1HB LYS 69 -4.736 -5.608 8.991 560 HG2 LYS 69 2HG LYS 69 -6.929 -5.559 7.902 561 HG3 LYS 69 1HG LYS 69 -5.664 -5.838 6.703 562 HD2 LYS 69 2HD LYS 69 -7.620 -7.259 6.284 563 HD3 LYS 69 1HD LYS 69 -6.202 -8.241 6.652 564 HE2 LYS 69 2HE LYS 69 -8.181 -9.109 7.825 565 HE3 LYS 69 1HE LYS 69 -6.995 -8.510 8.991 566 HZ1 LYS 69 1HZ LYS 69 -8.274 -6.500 9.175 567 HZ2 LYS 69 2HZ LYS 69 -9.365 -7.033 8.061 568 HZ3 LYS 69 3HZ LYS 69 -9.217 -7.796 9.514 569 H PHE 70 H PHE 70 -4.036 -8.161 5.750 570 HA PHE 70 HA PHE 70 -1.686 -6.716 4.878 571 HB2 PHE 70 2HB PHE 70 -2.740 -7.446 2.589 572 HB3 PHE 70 1HB PHE 70 -2.063 -8.656 3.672 573 HD1 PHE 70 1HD PHE 70 -5.298 -7.182 2.493 574 HD2 PHE 70 2HD PHE 70 -3.349 -10.369 4.642 575 HE1 PHE 70 1HE PHE 70 -7.439 -8.415 2.628 576 HE2 PHE 70 2HE PHE 70 -5.490 -11.617 4.730 577 HZ PHE 70 HZ PHE 70 -7.538 -10.629 3.739 578 H SER 71 H SER 71 -5.205 -6.062 4.778 579 HA SER 71 HA SER 71 -4.837 -3.876 2.887 580 HB2 SER 71 2HB SER 71 -7.277 -3.599 3.183 581 HB3 SER 71 1HB SER 71 -6.794 -5.263 2.776 582 HG SER 71 HG SER 71 -8.310 -5.154 4.527 583 H THR 72 H THR 72 -5.432 -4.153 6.425 584 HA THR 72 HA THR 72 -5.915 -1.392 6.904 585 HB THR 72 HB THR 72 -4.731 -3.621 8.575 586 HG1 THR 72 1HG THR 72 -6.835 -3.735 9.333 587 HG21 THR 72 1HG2 THR 72 -5.303 -2.266 10.548 588 HG22 THR 72 2HG2 THR 72 -4.064 -1.464 9.564 589 HG23 THR 72 3HG2 THR 72 -5.750 -0.898 9.489 590 H TRP 73 H TRP 73 -2.924 -3.303 6.607 591 HA TRP 73 HA TRP 73 -1.174 -1.103 7.390 592 HB2 TRP 73 2HB TRP 73 -0.550 -3.338 7.908 593 HB3 TRP 73 1HB TRP 73 -0.835 -3.873 6.257 594 HD1 TRP 73 HD TRP 73 1.789 -2.089 8.383 595 HE1 TRP 73 1HE TRP 73 4.024 -2.165 7.166 596 HE3 TRP 73 3HE TRP 73 0.146 -3.770 3.854 597 HZ2 TRP 73 2HZ TRP 73 5.008 -2.994 4.553 598 HZ3 TRP 73 3HZ TRP 73 1.739 -4.127 1.997 599 HH2 TRP 73 HH TRP 73 4.173 -3.767 2.346 600 H LEU 74 H LEU 74 -2.636 -2.327 4.401 601 HA LEU 74 HA LEU 74 -0.838 -0.891 2.627 602 HB2 LEU 74 2HB LEU 74 -2.056 -2.888 1.880 603 HB3 LEU 74 1HB LEU 74 -3.597 -2.117 2.256 604 HG LEU 74 HG LEU 74 -3.267 -0.431 0.525 605 HD11 LEU 74 1HD1 LEU 74 -0.823 -0.206 0.558 606 HD12 LEU 74 2HD1 LEU 74 -0.649 -1.862 -0.078 607 HD13 LEU 74 3HD1 LEU 74 -1.397 -0.590 -1.074 608 HD21 LEU 74 1HD2 LEU 74 -4.299 -2.606 -0.047 609 HD22 LEU 74 2HD2 LEU 74 -3.412 -1.908 -1.425 610 HD23 LEU 74 3HD2 LEU 74 -2.700 -3.249 -0.491 611 H TYR 75 H TYR 75 -4.060 -0.275 4.085 612 HA TYR 75 HA TYR 75 -4.516 2.146 2.592 613 HB2 TYR 75 2HB TYR 75 -5.696 1.107 5.195 614 HB3 TYR 75 1HB TYR 75 -6.344 2.456 4.280 615 HD1 TYR 75 1HD TYR 75 -6.019 1.293 1.449 616 HD2 TYR 75 2HD TYR 75 -7.494 -0.397 5.123 617 HE1 TYR 75 1HE TYR 75 -7.433 -0.267 0.159 618 HE2 TYR 75 2HE TYR 75 -8.917 -1.966 3.834 619 HH TYR 75 HH TYR 75 -8.962 -1.986 0.253 620 H ARG 76 H ARG 76 -2.885 1.378 5.637 621 HA ARG 76 HA ARG 76 -2.775 4.078 6.635 622 HB2 ARG 76 2HB ARG 76 -2.520 2.078 8.047 623 HB3 ARG 76 1HB ARG 76 -1.116 1.557 7.118 624 HG2 ARG 76 2HG ARG 76 -0.498 2.543 9.284 625 HG3 ARG 76 1HG ARG 76 0.202 3.447 7.932 626 HD2 ARG 76 2HD ARG 76 -1.290 5.249 8.209 627 HD3 ARG 76 1HD ARG 76 -2.431 4.283 9.170 628 HE ARG 76 HE ARG 76 -0.226 4.193 10.737 629 HH11 ARG 76 1HH1 ARG 76 -1.843 6.932 9.192 630 HH12 ARG 76 2HH1 ARG 76 -1.409 8.046 10.465 631 HH21 ARG 76 1HH2 ARG 76 0.325 5.634 12.351 632 HH22 ARG 76 2HH2 ARG 76 -0.153 7.316 12.259 633 H ILE 77 H ILE 77 -0.830 2.179 4.370 634 HA ILE 77 HA ILE 77 1.381 4.078 4.354 635 HB ILE 77 HB ILE 77 0.597 1.653 2.711 636 HG12 ILE 77 2HG1 ILE 77 2.828 2.308 4.680 637 HG13 ILE 77 1HG1 ILE 77 1.396 1.356 5.040 638 HG21 ILE 77 1HG2 ILE 77 3.059 3.418 2.354 639 HG22 ILE 77 2HG2 ILE 77 2.781 1.846 1.566 640 HG23 ILE 77 3HG2 ILE 77 1.732 3.204 1.181 641 HD11 ILE 77 1HD1 ILE 77 3.577 0.591 3.045 642 HD12 ILE 77 2HD1 ILE 77 3.279 -0.141 4.635 643 HD13 ILE 77 3HD1 ILE 77 2.085 -0.337 3.332 644 H ALA 78 H ALA 78 -1.634 3.599 2.529 645 HA ALA 78 HA ALA 78 -0.770 5.271 0.330 646 HB1 ALA 78 1HB ALA 78 -3.530 4.304 1.172 647 HB2 ALA 78 2HB ALA 78 -3.107 5.012 -0.405 648 HB3 ALA 78 3HB ALA 78 -2.399 3.455 0.094 649 H VAL 79 H VAL 79 -2.589 5.837 3.368 650 HA VAL 79 HA VAL 79 -3.262 8.553 2.513 651 HB VAL 79 HB VAL 79 -4.777 7.222 3.898 652 HG11 VAL 79 1HG1 VAL 79 -2.735 7.594 6.110 653 HG12 VAL 79 2HG1 VAL 79 -4.368 6.876 6.249 654 HG13 VAL 79 3HG1 VAL 79 -3.117 6.059 5.284 655 HG21 VAL 79 1HG2 VAL 79 -3.730 9.714 5.312 656 HG22 VAL 79 2HG2 VAL 79 -4.828 9.713 3.915 657 HG23 VAL 79 3HG2 VAL 79 -5.350 9.006 5.466 658 H ASN 80 H ASN 80 -0.669 6.951 4.325 659 HA ASN 80 HA ASN 80 0.400 9.499 5.292 660 HB2 ASN 80 2HB ASN 80 1.510 6.674 5.199 661 HB3 ASN 80 1HB ASN 80 2.391 8.056 5.858 662 HD21 ASN 80 1HD2 ASN 80 0.891 6.582 8.828 663 HD22 ASN 80 2HD2 ASN 80 2.189 6.285 7.680 664 H THR 81 H THR 81 0.756 7.451 2.406 665 HA THR 81 HA THR 81 3.022 8.933 1.356 666 HB THR 81 HB THR 81 0.928 7.132 0.072 667 HG1 THR 81 1HG THR 81 2.353 6.063 1.395 668 HG21 THR 81 1HG2 THR 81 1.740 8.612 -1.671 669 HG22 THR 81 2HG2 THR 81 3.424 8.403 -1.129 670 HG23 THR 81 3HG2 THR 81 2.533 7.042 -1.853 671 H ALA 82 H ALA 82 -0.473 9.378 1.501 672 HA ALA 82 HA ALA 82 -0.690 11.268 -0.649 673 HB1 ALA 82 1HB ALA 82 -2.889 11.676 0.303 674 HB2 ALA 82 2HB ALA 82 -2.545 9.927 0.404 675 HB3 ALA 82 3HB ALA 82 -2.406 10.954 1.852 676 H LYS 83 H LYS 83 -0.378 11.586 2.919 677 HA LYS 83 HA LYS 83 -0.413 14.451 2.937 678 HB2 LYS 83 2HB LYS 83 0.516 12.292 4.867 679 HB3 LYS 83 1HB LYS 83 0.415 14.008 5.317 680 HG2 LYS 83 2HG LYS 83 -1.895 14.104 5.052 681 HG3 LYS 83 1HG LYS 83 -1.981 12.615 4.090 682 HD2 LYS 83 2HD LYS 83 -1.367 11.246 5.949 683 HD3 LYS 83 1HD LYS 83 -1.063 12.667 6.985 684 HE2 LYS 83 2HE LYS 83 -3.753 11.933 5.751 685 HE3 LYS 83 1HE LYS 83 -3.232 11.526 7.399 686 HZ1 LYS 83 1HZ LYS 83 -3.497 14.263 6.324 687 HZ2 LYS 83 2HZ LYS 83 -4.550 13.537 7.353 688 HZ3 LYS 83 3HZ LYS 83 -3.021 13.870 7.850 689 H ASN 84 H ASN 84 2.151 12.026 2.600 690 HA ASN 84 HA ASN 84 4.299 13.976 2.903 691 HB2 ASN 84 2HB ASN 84 4.221 11.146 1.789 692 HB3 ASN 84 1HB ASN 84 5.694 12.117 1.969 693 HD21 ASN 84 1HD2 ASN 84 5.605 9.998 4.968 694 HD22 ASN 84 2HD2 ASN 84 5.827 9.807 3.241 695 H TYR 85 H TYR 85 2.214 12.912 0.262 696 HA TYR 85 HA TYR 85 3.937 14.001 -1.824 697 HB2 TYR 85 2HB TYR 85 2.403 12.186 -2.300 698 HB3 TYR 85 1HB TYR 85 1.028 13.143 -1.752 699 HD1 TYR 85 1HD TYR 85 3.677 12.959 -4.386 700 HD2 TYR 85 2HD TYR 85 -0.104 14.638 -3.203 701 HE1 TYR 85 1HE TYR 85 3.346 13.834 -6.679 702 HE2 TYR 85 2HE TYR 85 -0.438 15.522 -5.495 703 HH TYR 85 HH TYR 85 1.987 15.033 -8.087 704 H LEU 86 H LEU 86 1.205 15.120 0.176 705 HA LEU 86 HA LEU 86 0.799 17.615 -1.193 706 HB2 LEU 86 2HB LEU 86 0.372 16.730 1.683 707 HB3 LEU 86 1HB LEU 86 -0.167 18.292 1.071 708 HG LEU 86 HG LEU 86 -1.091 15.578 0.026 709 HD11 LEU 86 1HD1 LEU 86 -1.953 16.153 2.278 710 HD12 LEU 86 2HD1 LEU 86 -2.537 17.712 1.656 711 HD13 LEU 86 3HD1 LEU 86 -3.240 16.189 1.055 712 HD21 LEU 86 1HD2 LEU 86 -1.128 17.238 -1.779 713 HD22 LEU 86 2HD2 LEU 86 -2.776 16.909 -1.222 714 HD23 LEU 86 3HD2 LEU 86 -1.960 18.402 -0.715 715 H VAL 87 H VAL 87 3.146 16.514 1.232 716 HA VAL 87 HA VAL 87 4.217 19.171 1.727 717 HB VAL 87 HB VAL 87 5.250 16.357 2.245 718 HG11 VAL 87 1HG1 VAL 87 7.181 17.861 2.046 719 HG12 VAL 87 2HG1 VAL 87 6.404 19.038 3.126 720 HG13 VAL 87 3HG1 VAL 87 6.906 17.448 3.749 721 HG21 VAL 87 1HG2 VAL 87 4.178 18.510 4.113 722 HG22 VAL 87 2HG2 VAL 87 3.244 17.116 3.530 723 HG23 VAL 87 3HG2 VAL 87 4.673 16.860 4.560 724 H ALA 88 H ALA 88 4.743 16.561 -0.617 725 HA ALA 88 HA ALA 88 7.278 17.563 -1.558 726 HB1 ALA 88 1HB ALA 88 6.574 15.193 -1.742 727 HB2 ALA 88 2HB ALA 88 5.278 15.672 -2.863 728 HB3 ALA 88 3HB ALA 88 6.980 15.893 -3.326 729 H GLN 89 H GLN 89 3.981 18.554 -2.094 730 HA GLN 89 HA GLN 89 4.949 20.175 -4.406 731 HB2 GLN 89 2HB GLN 89 2.044 19.644 -3.780 732 HB3 GLN 89 1HB GLN 89 2.764 20.282 -5.265 733 HG2 GLN 89 2HG GLN 89 2.982 17.438 -4.191 734 HG3 GLN 89 1HG GLN 89 2.046 17.958 -5.586 735 HE21 GLN 89 1HE2 GLN 89 5.258 16.364 -6.707 736 HE22 GLN 89 2HE2 GLN 89 3.926 15.882 -5.678 737 H GLY 90 H GLY 90 4.062 20.304 -1.110 738 HA2 GLY 90 2HA GLY 90 3.133 23.087 -1.173 739 HA3 GLY 90 3HA GLY 90 3.430 22.074 0.254 740 H ARG 91 H ARG 91 6.164 21.391 -1.103 741 HA ARG 91 HA ARG 91 7.606 23.644 0.108 742 HB2 ARG 91 2HB ARG 91 9.532 22.186 0.073 743 HB3 ARG 91 1HB ARG 91 8.138 21.326 0.746 744 HG2 ARG 91 2HG ARG 91 7.754 20.316 -1.556 745 HG3 ARG 91 1HG ARG 91 9.289 21.044 -2.062 746 HD2 ARG 91 2HD ARG 91 8.920 19.102 0.255 747 HD3 ARG 91 1HD ARG 91 9.536 18.669 -1.348 748 HE ARG 91 HE ARG 91 10.954 20.062 0.804 749 HH11 ARG 91 1HH1 ARG 91 10.900 19.329 -2.660 750 HH12 ARG 91 2HH1 ARG 91 12.610 19.635 -2.869 751 HH21 ARG 91 1HH2 ARG 91 13.175 20.460 0.498 752 HH22 ARG 91 2HH2 ARG 91 13.893 20.280 -1.086 753 H ARG 92 H ARG 92 6.263 23.456 -2.751 754 HA ARG 92 HA ARG 92 8.450 23.824 -4.613 755 HB2 ARG 92 2HB ARG 92 5.468 24.462 -4.709 756 HB3 ARG 92 1HB ARG 92 6.551 24.608 -6.096 757 HG2 ARG 92 2HG ARG 92 6.061 22.030 -4.551 758 HG3 ARG 92 1HG ARG 92 5.246 22.475 -6.059 759 HD2 ARG 92 2HD ARG 92 7.472 22.597 -7.186 760 HD3 ARG 92 1HD ARG 92 8.240 22.051 -5.681 761 HE ARG 92 HE ARG 92 6.146 20.245 -6.447 762 HH11 ARG 92 1HH1 ARG 92 9.454 21.172 -7.292 763 HH12 ARG 92 2HH1 ARG 92 9.836 19.599 -7.960 764 HH21 ARG 92 1HH2 ARG 92 6.667 18.241 -7.324 765 HH22 ARG 92 2HH2 ARG 92 8.260 17.937 -7.980 766 H LEU 93 H LEU 93 6.634 25.930 -2.482 767 HA LEU 93 HA LEU 93 8.172 28.267 -3.482 768 HB2 LEU 93 2HB LEU 93 5.162 28.068 -3.121 769 HB3 LEU 93 1HB LEU 93 6.019 29.605 -3.296 770 HG LEU 93 HG LEU 93 6.024 27.370 -5.371 771 HD11 LEU 93 1HD1 LEU 93 4.527 30.019 -5.281 772 HD12 LEU 93 2HD1 LEU 93 4.551 28.878 -6.647 773 HD13 LEU 93 3HD1 LEU 93 3.803 28.404 -5.108 774 HD21 LEU 93 1HD2 LEU 93 8.043 28.825 -5.476 775 HD22 LEU 93 2HD2 LEU 93 6.960 29.126 -6.850 776 HD23 LEU 93 3HD2 LEU 93 6.997 30.260 -5.478 777 H GLU 94 H GLU 94 7.848 26.355 -0.950 778 HA GLU 94 HA GLU 94 8.251 28.546 0.970 779 HB2 GLU 94 2HB GLU 94 5.817 28.047 1.014 780 HB3 GLU 94 1HB GLU 94 6.183 26.354 1.392 781 HG2 GLU 94 2HG GLU 94 7.264 27.037 3.496 782 HG3 GLU 94 1HG GLU 94 7.017 28.743 3.087 783 H LEU 95 H LEU 95 9.447 27.874 2.817 784 HA LEU 95 HA LEU 95 10.365 25.079 2.938 785 HB2 LEU 95 2HB LEU 95 11.930 26.194 1.379 786 HB3 LEU 95 1HB LEU 95 12.233 27.453 2.585 787 HG LEU 95 HG LEU 95 13.187 25.773 4.126 788 HD11 LEU 95 1HD1 LEU 95 12.706 23.840 1.813 789 HD12 LEU 95 2HD1 LEU 95 13.677 23.484 3.264 790 HD13 LEU 95 3HD1 LEU 95 11.936 23.771 3.418 791 HD21 LEU 95 1HD2 LEU 95 14.637 26.955 2.518 792 HD22 LEU 95 2HD2 LEU 95 15.225 25.301 2.812 793 HD23 LEU 95 3HD2 LEU 95 14.346 25.684 1.310 794 H5' GNG 96 H5T DG 96 12.809 3.115 7.602 795 H5'1 GNG 96 1H5* DG 96 11.511 1.229 7.658 796 H5'2 GNG 96 2H5* DG 96 10.671 2.582 6.870 797 H4' GNG 96 H4* DG 96 10.382 1.813 9.806 798 H1' GNG 96 H1* DG 96 7.315 3.227 9.204 799 H8 GNG 96 8H DG 96 8.418 4.124 5.621 800 HN21 GNG 96 1H2 DG 96 5.236 8.272 10.965 801 HN22 GNG 96 2H2 DG 96 5.767 6.716 11.565 802 H2'1 GNG 96 1H2* DG 96 8.429 2.247 6.566 803 H2'2 GNG 96 2H2* DG 96 6.995 1.665 7.476 804 H3' GNG 96 H3* DG 96 9.374 0.396 7.706 805 HN1 GNG 96 1H DG 96 5.517 8.860 8.839 806 H5' DT 97 1H5* DT 97 6.311 1.805 10.801 807 H5'' DT 97 2H5* DT 97 5.134 0.561 11.253 808 H4' DT 97 H4* DT 97 4.136 2.831 11.128 809 H3' DT 97 H3* DT 97 2.972 0.506 10.101 810 H2' DT 97 1H2* DT 97 3.590 0.898 7.870 811 H2'' DT 97 2H2* DT 97 1.990 1.714 7.893 812 H1' DT 97 H1* DT 97 2.934 3.829 8.364 813 H3 DT 97 3H DT 97 4.671 5.752 4.690 814 H71 DT 97 1H7 DT 97 5.795 1.305 3.231 815 H72 DT 97 2H7 DT 97 7.289 1.741 4.069 816 H73 DT 97 3H7 DT 97 6.191 0.542 4.793 817 H6 DT 97 6H DT 97 5.026 1.343 6.561 818 H5' DA 98 1H5* DA 98 -0.528 0.665 10.293 819 H5'' DA 98 2H5* DA 98 -1.241 1.519 11.669 820 H4' DA 98 H4* DA 98 -2.408 -0.514 11.608 821 H3' DA 98 H3* DA 98 -0.872 -0.010 13.849 822 H2' DA 98 1H2* DA 98 0.968 -1.338 13.431 823 H2'' DA 98 2H2* DA 98 -0.072 -2.631 14.083 824 H1' DA 98 H1* DA 98 -0.473 -3.517 12.000 825 H8 DA 98 8H DA 98 2.273 -0.779 11.854 826 H61 DA 98 1H6 DA 98 5.685 -5.061 8.963 827 H62 DA 98 2H6 DA 98 5.689 -3.459 9.669 828 H2 DA 98 2H DA 98 1.559 -6.667 9.421 829 H5' DA 99 1H5* DA 99 -4.635 -2.753 12.847 830 H5'' DA 99 2H5* DA 99 -5.530 -1.232 12.760 831 H4' DA 99 H4* DA 99 -6.395 -3.722 14.321 832 H3' DA 99 H3* DA 99 -6.545 -3.538 11.661 833 H2' DA 99 1H2* DA 99 -7.365 -1.393 11.333 834 H2'' DA 99 2H2* DA 99 -8.961 -2.160 11.542 835 H1' DA 99 H1* DA 99 -9.246 -1.157 13.580 836 H8 DA 99 8H DA 99 -7.336 0.604 11.248 837 H61 DA 99 1H6 DA 99 -5.690 4.873 15.437 838 H62 DA 99 2H6 DA 99 -5.783 4.505 13.724 839 H2 DA 99 2H DA 99 -7.265 1.344 17.619 840 H5' DA 100 1H5* DA 100 -11.181 -3.778 12.170 841 H5'' DA 100 2H5* DA 100 -11.573 -5.247 11.242 842 H4' DA 100 H4* DA 100 -13.145 -3.714 10.443 843 H3' DA 100 H3* DA 100 -11.157 -4.500 8.626 844 H2' DA 100 1H2* DA 100 -9.971 -2.461 8.767 845 H2'' DA 100 2H2* DA 100 -11.074 -2.082 7.402 846 H1' DA 100 H1* DA 100 -12.688 -1.086 8.879 847 H8 DA 100 8H DA 100 -8.903 -0.804 9.323 848 H61 DA 100 1H6 DA 100 -9.959 5.144 10.788 849 H62 DA 100 2H6 DA 100 -8.712 3.957 10.443 850 H2 DA 100 2H DA 100 -13.871 3.082 10.479 851 H5' DA 101 1H5* DA 101 -11.995 -1.644 5.485 852 H5'' DA 101 2H5* DA 101 -13.069 -1.165 6.819 853 H4' DA 101 H4* DA 101 -14.836 -0.702 4.979 854 H3' DA 101 H3* DA 101 -13.177 -1.869 3.207 855 HO3' DA 101 H3T DA 101 -15.064 -0.756 2.537 856 H2' DA 101 1H2* DA 101 -11.196 -0.682 3.694 857 H2'' DA 101 2H2* DA 101 -11.818 0.355 2.375 858 H1' DA 101 H1* DA 101 -12.488 2.006 3.824 859 H8 DA 101 8H DA 101 -10.164 -0.579 5.551 860 H61 DA 101 1H6 DA 101 -7.510 4.421 8.103 861 H62 DA 101 2H6 DA 101 -7.413 2.673 7.941 862 H2 DA 101 2H DA 101 -11.112 5.754 5.901
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