NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
549365 | 2lu1 | 18504 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H THR 26 H THR 26 -5.236 -16.141 -9.256 2 HA THR 26 HA THR 26 -7.607 -16.692 -10.780 3 HB THR 26 HB THR 26 -8.356 -17.889 -8.755 4 HG1 THR 26 1HG THR 26 -7.316 -17.720 -6.897 5 HG21 THR 26 3HG2 THR 26 -5.465 -18.499 -9.302 6 HG22 THR 26 1HG2 THR 26 -6.806 -19.014 -10.325 7 HG23 THR 26 2HG2 THR 26 -6.691 -19.594 -8.664 8 H SER 27 H SER 27 -6.909 -14.837 -7.817 9 HA SER 27 HA SER 27 -9.457 -13.416 -8.235 10 HB2 SER 27 2HB SER 27 -8.248 -14.582 -5.835 11 HB3 SER 27 1HB SER 27 -8.762 -12.909 -5.613 12 H LYS 28 H LYS 28 -9.459 -11.223 -8.281 13 HA LYS 28 HA LYS 28 -6.908 -9.844 -7.794 14 HB2 LYS 28 2HB LYS 28 -7.270 -10.210 -10.235 15 HB3 LYS 28 1HB LYS 28 -8.758 -9.280 -10.118 16 HG2 LYS 28 2HG LYS 28 -7.308 -7.680 -10.861 17 HG3 LYS 28 1HG LYS 28 -7.179 -7.449 -9.115 18 HD2 LYS 28 2HD LYS 28 -5.057 -8.250 -9.031 19 HD3 LYS 28 1HD LYS 28 -5.333 -9.416 -10.327 20 HE2 LYS 28 2HE LYS 28 -5.482 -7.260 -11.811 21 HE3 LYS 28 1HE LYS 28 -4.571 -6.535 -10.488 22 HZ1 LYS 28 3HZ LYS 28 -3.730 -9.007 -11.893 23 HZ2 LYS 28 1HZ LYS 28 -2.826 -8.093 -10.794 24 HZ3 LYS 28 2HZ LYS 28 -3.191 -7.462 -12.320 25 H GLN 29 H GLN 29 -7.061 -7.995 -6.665 26 HA GLN 29 HA GLN 29 -9.682 -6.715 -6.388 27 HB2 GLN 29 2HB GLN 29 -7.891 -7.436 -4.057 28 HB3 GLN 29 1HB GLN 29 -9.390 -6.514 -3.956 29 HG2 GLN 29 2HG GLN 29 -9.118 -9.386 -4.822 30 HG3 GLN 29 1HG GLN 29 -9.738 -8.811 -3.274 31 HE21 GLN 29 1HE2 GLN 29 -11.291 -10.466 -4.686 32 HE22 GLN 29 2HE2 GLN 29 -12.628 -9.620 -5.383 33 H GLU 30 H GLU 30 -9.646 -4.528 -6.060 34 HA GLU 30 HA GLU 30 -7.016 -3.245 -5.901 35 HB2 GLU 30 2HB GLU 30 -7.485 -1.784 -7.724 36 HB3 GLU 30 1HB GLU 30 -7.809 -3.424 -8.272 37 HG2 GLU 30 2HG GLU 30 -9.842 -2.826 -8.883 38 HG3 GLU 30 1HG GLU 30 -10.220 -2.382 -7.220 39 H LEU 31 H LEU 31 -6.925 -1.430 -4.693 40 HA LEU 31 HA LEU 31 -9.441 -0.545 -3.450 41 HB2 LEU 31 2HB LEU 31 -6.610 -0.391 -2.420 42 HB3 LEU 31 1HB LEU 31 -8.009 0.276 -1.599 43 HG LEU 31 HG LEU 31 -8.684 -2.392 -2.060 44 HD11 LEU 31 1HD1 LEU 31 -6.903 -3.745 -1.457 45 HD12 LEU 31 2HD1 LEU 31 -5.967 -2.397 -0.809 46 HD13 LEU 31 3HD1 LEU 31 -6.156 -2.581 -2.553 47 HD21 LEU 31 3HD2 LEU 31 -8.545 -2.586 0.356 48 HD22 LEU 31 1HD2 LEU 31 -9.236 -1.027 -0.097 49 HD23 LEU 31 2HD2 LEU 31 -7.557 -1.128 0.433 50 H ILE 32 H ILE 32 -10.175 1.280 -4.316 51 HA ILE 32 HA ILE 32 -8.492 3.106 -5.733 52 HB ILE 32 HB ILE 32 -10.570 4.531 -5.822 53 HG12 ILE 32 2HG1 ILE 32 -12.272 2.289 -4.988 54 HG13 ILE 32 1HG1 ILE 32 -11.364 3.017 -3.666 55 HG21 ILE 32 1HG2 ILE 32 -9.958 2.948 -7.588 56 HG22 ILE 32 2HG2 ILE 32 -11.707 3.073 -7.401 57 HG23 ILE 32 3HG2 ILE 32 -10.848 1.676 -6.751 58 HD11 ILE 32 3HD1 ILE 32 -12.267 5.250 -4.663 59 HD12 ILE 32 1HD1 ILE 32 -13.291 4.248 -3.634 60 HD13 ILE 32 2HD1 ILE 32 -13.483 4.197 -5.387 61 H LEU 33 H LEU 33 -6.968 3.935 -4.320 62 HA LEU 33 HA LEU 33 -7.734 5.142 -1.824 63 HB2 LEU 33 2HB LEU 33 -5.227 4.608 -3.284 64 HB3 LEU 33 1HB LEU 33 -5.210 6.048 -2.272 65 HG LEU 33 HG LEU 33 -5.749 4.731 -0.311 66 HD11 LEU 33 1HD1 LEU 33 -5.599 2.146 -0.712 67 HD12 LEU 33 2HD1 LEU 33 -6.167 2.578 -2.324 68 HD13 LEU 33 3HD1 LEU 33 -7.128 3.002 -0.908 69 HD21 LEU 33 3HD2 LEU 33 -3.494 4.724 -0.348 70 HD22 LEU 33 1HD2 LEU 33 -3.414 4.105 -1.997 71 HD23 LEU 33 2HD2 LEU 33 -3.718 3.001 -0.655 72 H VAL 34 H VAL 34 -7.065 7.436 -1.340 73 HA VAL 34 HA VAL 34 -7.073 9.276 -3.564 74 HB VAL 34 HB VAL 34 -9.332 9.425 -1.565 75 HG11 VAL 34 1HG1 VAL 34 -9.445 10.904 -4.106 76 HG12 VAL 34 2HG1 VAL 34 -8.218 11.449 -2.962 77 HG13 VAL 34 3HG1 VAL 34 -9.911 11.391 -2.483 78 HG21 VAL 34 3HG2 VAL 34 -9.342 8.468 -4.424 79 HG22 VAL 34 1HG2 VAL 34 -10.789 8.854 -3.501 80 HG23 VAL 34 2HG2 VAL 34 -9.747 7.535 -2.984 81 H LEU 35 H LEU 35 -5.703 10.801 -3.089 82 HA LEU 35 HA LEU 35 -5.338 11.578 -0.271 83 HB2 LEU 35 2HB LEU 35 -3.497 10.382 -1.897 84 HB3 LEU 35 1HB LEU 35 -3.114 12.079 -2.124 85 HG LEU 35 HG LEU 35 -3.031 12.229 0.435 86 HD11 LEU 35 1HD1 LEU 35 -2.259 9.436 0.635 87 HD12 LEU 35 2HD1 LEU 35 -3.975 9.652 0.287 88 HD13 LEU 35 3HD1 LEU 35 -3.257 10.410 1.704 89 HD21 LEU 35 3HD2 LEU 35 -0.951 12.467 -0.410 90 HD22 LEU 35 1HD2 LEU 35 -1.080 11.026 -1.419 91 HD23 LEU 35 2HD2 LEU 35 -0.732 10.868 0.302 92 H LYS 36 H LYS 36 -3.682 13.759 -0.671 93 HA LYS 36 HA LYS 36 -5.430 15.609 -2.151 94 HB2 LYS 36 2HB LYS 36 -4.389 15.686 0.573 95 HB3 LYS 36 1HB LYS 36 -4.027 17.151 -0.324 96 HG2 LYS 36 2HG LYS 36 -6.156 17.834 -0.293 97 HG3 LYS 36 1HG LYS 36 -6.781 16.218 -0.627 98 HD2 LYS 36 2HD LYS 36 -6.682 15.607 1.654 99 HD3 LYS 36 1HD LYS 36 -5.684 17.002 2.063 100 HE2 LYS 36 2HE LYS 36 -8.508 17.206 1.029 101 HE3 LYS 36 1HE LYS 36 -8.098 17.158 2.742 102 HZ1 LYS 36 3HZ LYS 36 -7.255 19.216 0.773 103 HZ2 LYS 36 1HZ LYS 36 -6.707 19.144 2.372 104 HZ3 LYS 36 2HZ LYS 36 -8.347 19.426 2.049 105 H GLY 37 H GLY 37 -4.359 17.563 -2.984 106 HA2 GLY 37 2HA GLY 37 -1.694 16.873 -4.002 107 HA3 GLY 37 1HA GLY 37 -2.814 17.988 -4.761 108 H GLU 38 H GLU 38 -2.035 17.980 -1.337 109 HA GLU 38 HA GLU 38 -0.944 20.687 -1.655 110 HB2 GLU 38 2HB GLU 38 -2.014 19.224 0.766 111 HB3 GLU 38 1HB GLU 38 -1.277 20.821 0.834 112 HG2 GLU 38 2HG GLU 38 -3.249 20.921 -1.168 113 HG3 GLU 38 1HG GLU 38 -3.963 20.094 0.208 114 H LEU 39 H LEU 39 0.608 18.313 -2.291 115 HA LEU 39 HA LEU 39 2.767 18.664 -0.322 116 HB2 LEU 39 2HB LEU 39 2.246 16.094 -1.816 117 HB3 LEU 39 1HB LEU 39 3.371 16.356 -0.496 118 HG LEU 39 HG LEU 39 0.448 16.772 -0.027 119 HD11 LEU 39 1HD1 LEU 39 1.197 14.454 -1.150 120 HD12 LEU 39 2HD1 LEU 39 -0.086 14.581 0.037 121 HD13 LEU 39 3HD1 LEU 39 1.528 14.093 0.539 122 HD21 LEU 39 3HD2 LEU 39 2.127 17.401 1.675 123 HD22 LEU 39 1HD2 LEU 39 2.673 15.722 1.718 124 HD23 LEU 39 2HD2 LEU 39 1.033 16.138 2.225 125 H ASP 40 H ASP 40 4.869 18.716 -1.129 126 HA ASP 40 HA ASP 40 5.242 18.530 -4.018 127 HB2 ASP 40 2HB ASP 40 5.895 20.993 -2.385 128 HB3 ASP 40 1HB ASP 40 6.475 20.718 -4.022 129 H LEU 41 H LEU 41 6.088 16.843 -1.879 130 HA LEU 41 HA LEU 41 8.787 16.481 -2.554 131 HB2 LEU 41 2HB LEU 41 8.741 18.561 -0.947 132 HB3 LEU 41 1HB LEU 41 8.579 17.334 0.302 133 HG LEU 41 HG LEU 41 10.688 16.284 -0.563 134 HD11 LEU 41 1HD1 LEU 41 10.308 17.760 -2.777 135 HD12 LEU 41 2HD1 LEU 41 11.876 17.122 -2.280 136 HD13 LEU 41 3HD1 LEU 41 11.450 18.795 -1.911 137 HD21 LEU 41 3HD2 LEU 41 11.107 19.150 0.244 138 HD22 LEU 41 1HD2 LEU 41 12.102 17.744 0.617 139 HD23 LEU 41 2HD2 LEU 41 10.513 17.917 1.364 140 H HIS 42 H HIS 42 8.374 14.344 -2.738 141 HA HIS 42 HA HIS 42 8.099 12.176 -2.120 142 HB2 HIS 42 2HB HIS 42 8.547 13.270 0.667 143 HB3 HIS 42 1HB HIS 42 8.567 11.567 0.231 144 HD1 HIS 42 1HD HIS 42 10.762 14.364 0.675 145 HD2 HIS 42 2HD HIS 42 10.704 11.026 -1.791 146 HE1 HIS 42 1HE HIS 42 13.122 14.097 -0.148 147 HE2 HIS 42 2HE HIS 42 13.040 12.123 -1.710 148 H SER 43 H SER 43 6.264 11.061 -2.118 149 HA SER 43 HA SER 43 3.926 12.217 -0.780 150 HB2 SER 43 2HB SER 43 4.348 10.632 -3.226 151 HB3 SER 43 1HB SER 43 2.948 10.149 -2.278 152 HG SER 43 HG SER 43 1.986 11.982 -2.726 153 H LYS 44 H LYS 44 3.256 11.387 1.069 154 HA LYS 44 HA LYS 44 4.412 9.071 2.221 155 HB2 LYS 44 2HB LYS 44 2.979 11.229 3.159 156 HB3 LYS 44 1HB LYS 44 1.846 9.901 3.362 157 HG2 LYS 44 2HG LYS 44 2.882 9.366 5.242 158 HG3 LYS 44 1HG LYS 44 4.314 8.954 4.296 159 HD2 LYS 44 2HD LYS 44 3.928 11.827 4.811 160 HD3 LYS 44 1HD LYS 44 4.256 10.843 6.239 161 HE2 LYS 44 2HE LYS 44 6.123 9.855 4.601 162 HE3 LYS 44 1HE LYS 44 5.987 11.477 3.922 163 HZ1 LYS 44 3HZ LYS 44 6.742 12.441 5.838 164 HZ2 LYS 44 1HZ LYS 44 7.639 11.006 5.841 165 HZ3 LYS 44 2HZ LYS 44 6.274 11.151 6.827 166 H ASN 45 H ASN 45 1.746 9.529 0.106 167 HA ASN 45 HA ASN 45 0.041 7.450 0.768 168 HB2 ASN 45 2HB ASN 45 0.036 9.289 -1.177 169 HB3 ASN 45 1HB ASN 45 0.582 7.906 -2.122 170 HD21 ASN 45 1HD2 ASN 45 -0.760 5.830 -1.305 171 HD22 ASN 45 2HD2 ASN 45 -2.468 6.057 -1.425 172 H MET 46 H MET 46 2.659 7.316 -1.662 173 HA MET 46 HA MET 46 2.513 4.578 -2.151 174 HB2 MET 46 2HB MET 46 4.846 4.792 -2.987 175 HB3 MET 46 1HB MET 46 3.759 6.026 -3.623 176 HG2 MET 46 2HG MET 46 4.664 7.675 -2.158 177 HG3 MET 46 1HG MET 46 5.602 6.464 -1.286 178 HE1 MET 46 3HE MET 46 6.593 9.374 -3.136 179 HE2 MET 46 1HE MET 46 8.229 8.716 -3.149 180 HE3 MET 46 2HE MET 46 7.232 8.569 -1.700 181 H LYS 47 H LYS 47 4.333 6.366 0.287 182 HA LYS 47 HA LYS 47 5.801 4.157 1.277 183 HB2 LYS 47 2HB LYS 47 6.256 6.642 1.655 184 HB3 LYS 47 1HB LYS 47 5.003 6.578 2.886 185 HG2 LYS 47 2HG LYS 47 6.414 4.595 3.822 186 HG3 LYS 47 1HG LYS 47 7.709 5.328 2.872 187 HD2 LYS 47 2HD LYS 47 7.696 7.281 4.127 188 HD3 LYS 47 1HD LYS 47 6.055 7.007 4.719 189 HE2 LYS 47 2HE LYS 47 6.971 5.011 5.963 190 HE3 LYS 47 1HE LYS 47 8.579 5.595 5.542 191 HZ1 LYS 47 3HZ LYS 47 7.871 6.327 7.747 192 HZ2 LYS 47 1HZ LYS 47 6.552 7.135 7.074 193 HZ3 LYS 47 2HZ LYS 47 8.123 7.642 6.716 194 H ASN 48 H ASN 48 2.561 5.274 1.785 195 HA ASN 48 HA ASN 48 2.102 3.922 4.251 196 HB2 ASN 48 2HB ASN 48 0.497 5.437 2.297 197 HB3 ASN 48 1HB ASN 48 -0.388 4.195 3.177 198 HD21 ASN 48 1HD2 ASN 48 0.686 4.233 5.626 199 HD22 ASN 48 2HD2 ASN 48 0.458 5.773 6.375 200 H VAL 49 H VAL 49 1.657 3.091 0.852 201 HA VAL 49 HA VAL 49 0.240 0.669 1.345 202 HB VAL 49 HB VAL 49 1.851 1.361 -1.113 203 HG11 VAL 49 1HG1 VAL 49 0.464 -0.968 -0.379 204 HG12 VAL 49 2HG1 VAL 49 1.120 -0.558 -1.963 205 HG13 VAL 49 3HG1 VAL 49 -0.549 -0.150 -1.567 206 HG21 VAL 49 3HG2 VAL 49 -1.069 1.915 -0.602 207 HG22 VAL 49 1HG2 VAL 49 -0.140 2.334 -2.041 208 HG23 VAL 49 2HG2 VAL 49 0.208 3.126 -0.505 209 H ILE 50 H ILE 50 3.645 1.426 0.691 210 HA ILE 50 HA ILE 50 4.565 -1.233 0.612 211 HB ILE 50 HB ILE 50 6.110 1.217 1.458 212 HG12 ILE 50 2HG1 ILE 50 5.019 1.451 -0.760 213 HG13 ILE 50 1HG1 ILE 50 6.777 1.419 -0.868 214 HG21 ILE 50 1HG2 ILE 50 8.082 -0.033 0.770 215 HG22 ILE 50 2HG2 ILE 50 7.074 -1.420 0.357 216 HG23 ILE 50 3HG2 ILE 50 7.206 -0.896 2.037 217 HD11 ILE 50 3HD1 ILE 50 4.793 -0.639 -1.709 218 HD12 ILE 50 1HD1 ILE 50 6.446 -1.110 -1.316 219 HD13 ILE 50 2HD1 ILE 50 6.144 0.054 -2.606 220 H ASN 51 H ASN 51 4.117 1.042 3.261 221 HA ASN 51 HA ASN 51 5.401 -0.560 5.233 222 HB2 ASN 51 2HB ASN 51 5.015 1.923 5.395 223 HB3 ASN 51 1HB ASN 51 3.313 1.578 5.690 224 HD21 ASN 51 1HD2 ASN 51 2.798 0.259 7.562 225 HD22 ASN 51 2HD2 ASN 51 3.802 0.362 8.964 226 H ASN 52 H ASN 52 2.125 -0.326 4.007 227 HA ASN 52 HA ASN 52 1.103 -2.088 6.077 228 HB2 ASN 52 2HB ASN 52 -0.041 -0.212 4.199 229 HB3 ASN 52 1HB ASN 52 -0.869 -1.762 4.099 230 HD21 ASN 52 1HD2 ASN 52 0.628 -0.120 6.852 231 HD22 ASN 52 2HD2 ASN 52 -0.810 -0.039 7.808 232 H ALA 53 H ALA 53 1.073 -2.147 2.508 233 HA ALA 53 HA ALA 53 0.260 -4.725 2.100 234 HB1 ALA 53 1HB ALA 53 0.636 -3.102 0.301 235 HB2 ALA 53 2HB ALA 53 1.414 -4.647 -0.042 236 HB3 ALA 53 3HB ALA 53 2.378 -3.279 0.511 237 H LYS 54 H LYS 54 3.424 -3.617 3.119 238 HA LYS 54 HA LYS 54 4.623 -6.235 2.827 239 HB2 LYS 54 2HB LYS 54 5.817 -3.970 2.564 240 HB3 LYS 54 1HB LYS 54 5.830 -3.920 4.321 241 HG2 LYS 54 2HG LYS 54 6.989 -6.153 4.267 242 HG3 LYS 54 1HG LYS 54 7.161 -5.927 2.524 243 HD2 LYS 54 2HD LYS 54 8.383 -3.837 2.927 244 HD3 LYS 54 1HD LYS 54 8.225 -4.086 4.666 245 HE2 LYS 54 2HE LYS 54 9.577 -6.031 2.804 246 HE3 LYS 54 1HE LYS 54 10.431 -4.773 3.697 247 HZ1 LYS 54 3HZ LYS 54 9.889 -5.775 5.728 248 HZ2 LYS 54 1HZ LYS 54 10.371 -7.054 4.737 249 HZ3 LYS 54 2HZ LYS 54 8.730 -6.787 5.043 250 H LYS 55 H LYS 55 3.829 -4.069 5.543 251 HA LYS 55 HA LYS 55 4.538 -5.823 7.601 252 HB2 LYS 55 2HB LYS 55 4.050 -3.416 7.918 253 HB3 LYS 55 1HB LYS 55 2.346 -3.739 7.629 254 HG2 LYS 55 2HG LYS 55 2.482 -5.344 9.598 255 HG3 LYS 55 1HG LYS 55 4.037 -4.591 9.953 256 HD2 LYS 55 2HD LYS 55 2.681 -3.266 11.226 257 HD3 LYS 55 1HD LYS 55 2.606 -2.376 9.703 258 HE2 LYS 55 2HE LYS 55 0.381 -2.636 10.631 259 HE3 LYS 55 1HE LYS 55 0.528 -3.556 9.135 260 HZ1 LYS 55 3HZ LYS 55 0.614 -5.561 10.295 261 HZ2 LYS 55 1HZ LYS 55 -0.592 -4.684 11.094 262 HZ3 LYS 55 2HZ LYS 55 0.949 -4.815 11.776 263 H ASN 56 H ASN 56 1.537 -5.470 5.793 264 HA ASN 56 HA ASN 56 -0.002 -7.264 7.353 265 HB2 ASN 56 2HB ASN 56 -0.365 -6.564 4.430 266 HB3 ASN 56 1HB ASN 56 -1.592 -7.221 5.518 267 HD21 ASN 56 1HD2 ASN 56 -1.281 -4.658 3.937 268 HD22 ASN 56 2HD2 ASN 56 -1.628 -3.414 5.085 269 H LEU 57 H LEU 57 1.813 -7.654 4.321 270 HA LEU 57 HA LEU 57 1.248 -10.281 3.725 271 HB2 LEU 57 2HB LEU 57 3.110 -8.340 2.919 272 HB3 LEU 57 1HB LEU 57 4.064 -9.750 3.357 273 HG LEU 57 HG LEU 57 1.842 -9.659 1.315 274 HD11 LEU 57 1HD1 LEU 57 4.765 -9.393 1.224 275 HD12 LEU 57 2HD1 LEU 57 3.533 -8.823 0.097 276 HD13 LEU 57 3HD1 LEU 57 4.071 -10.502 0.040 277 HD21 LEU 57 3HD2 LEU 57 2.089 -11.938 0.978 278 HD22 LEU 57 1HD2 LEU 57 2.180 -11.804 2.734 279 HD23 LEU 57 2HD2 LEU 57 3.655 -11.992 1.786 280 H GLU 58 H GLU 58 4.150 -9.208 5.476 281 HA GLU 58 HA GLU 58 4.968 -11.712 6.360 282 HB2 GLU 58 2HB GLU 58 6.303 -10.511 8.037 283 HB3 GLU 58 1HB GLU 58 6.413 -9.749 6.456 284 HG2 GLU 58 2HG GLU 58 5.336 -7.873 7.127 285 HG3 GLU 58 1HG GLU 58 4.334 -8.731 8.297 286 H LYS 59 H LYS 59 2.516 -9.576 7.623 287 HA LYS 59 HA LYS 59 2.260 -10.572 10.217 288 HB2 LYS 59 2HB LYS 59 1.063 -8.577 9.112 289 HB3 LYS 59 1HB LYS 59 -0.105 -9.760 8.540 290 HG2 LYS 59 2HG LYS 59 0.052 -10.364 11.196 291 HG3 LYS 59 1HG LYS 59 0.259 -8.611 11.198 292 HD2 LYS 59 2HD LYS 59 -2.002 -8.626 11.206 293 HD3 LYS 59 1HD LYS 59 -1.791 -8.838 9.468 294 HE2 LYS 59 2HE LYS 59 -1.630 -11.410 10.447 295 HE3 LYS 59 1HE LYS 59 -2.867 -10.669 11.462 296 HZ1 LYS 59 3HZ LYS 59 -3.380 -11.751 9.098 297 HZ2 LYS 59 1HZ LYS 59 -3.077 -10.161 8.606 298 HZ3 LYS 59 2HZ LYS 59 -4.289 -10.478 9.742 299 H TYR 60 H TYR 60 1.040 -11.785 7.154 300 HA TYR 60 HA TYR 60 -0.528 -13.874 8.365 301 HB2 TYR 60 2HB TYR 60 0.342 -13.882 5.489 302 HB3 TYR 60 1HB TYR 60 -1.159 -14.482 6.197 303 HD1 TYR 60 1HD TYR 60 -2.670 -12.610 7.305 304 HD2 TYR 60 2HD TYR 60 0.297 -11.887 4.344 305 HE1 TYR 60 1HE TYR 60 -3.792 -10.505 6.705 306 HE2 TYR 60 2HE TYR 60 -0.817 -9.779 3.733 307 HH TYR 60 HH TYR 60 -3.058 -8.770 3.887 308 H PHE 61 H PHE 61 2.671 -13.513 7.011 309 HA PHE 61 HA PHE 61 3.244 -16.324 6.958 310 HB2 PHE 61 2HB PHE 61 4.323 -14.262 5.643 311 HB3 PHE 61 1HB PHE 61 5.455 -14.334 6.997 312 HD1 PHE 61 2HD PHE 61 6.822 -16.343 7.359 313 HD2 PHE 61 1HD PHE 61 4.301 -15.939 3.954 314 HE1 PHE 61 2HE PHE 61 8.033 -18.175 6.250 315 HE2 PHE 61 1HE PHE 61 5.506 -17.771 2.840 316 HZ PHE 61 HZ PHE 61 7.375 -18.892 3.988 317 H LYS 62 H LYS 62 3.621 -13.725 9.254 318 HA LYS 62 HA LYS 62 5.359 -15.297 10.966 319 HB2 LYS 62 2HB LYS 62 4.856 -12.545 10.623 320 HB3 LYS 62 1HB LYS 62 4.303 -12.940 12.240 321 HG2 LYS 62 2HG LYS 62 6.980 -13.900 11.347 322 HG3 LYS 62 1HG LYS 62 6.772 -12.208 11.799 323 HD2 LYS 62 2HD LYS 62 5.606 -13.239 13.911 324 HD3 LYS 62 1HD LYS 62 6.539 -14.672 13.471 325 HE2 LYS 62 2HE LYS 62 7.539 -11.940 14.217 326 HE3 LYS 62 1HE LYS 62 7.878 -13.485 14.994 327 HZ1 LYS 62 3HZ LYS 62 9.756 -13.349 13.797 328 HZ2 LYS 62 1HZ LYS 62 9.107 -12.277 12.664 329 HZ3 LYS 62 2HZ LYS 62 8.801 -13.937 12.534 330 H GLU 63 H GLU 63 2.028 -14.118 10.939 331 HA GLU 63 HA GLU 63 1.426 -15.302 13.498 332 HB2 GLU 63 2HB GLU 63 0.346 -13.223 12.225 333 HB3 GLU 63 1HB GLU 63 -0.744 -14.477 11.634 334 HG2 GLU 63 2HG GLU 63 -1.699 -14.796 13.661 335 HG3 GLU 63 1HG GLU 63 -0.222 -14.412 14.544 336 H HIS 64 H HIS 64 0.389 -15.911 10.143 337 HA HIS 64 HA HIS 64 -0.659 -18.501 10.963 338 HB2 HIS 64 2HB HIS 64 -1.557 -16.621 9.142 339 HB3 HIS 64 1HB HIS 64 -0.867 -17.878 8.121 340 HD1 HIS 64 1HD HIS 64 -1.757 -20.425 8.991 341 HD2 HIS 64 2HD HIS 64 -4.155 -17.098 9.664 342 HE1 HIS 64 1HE HIS 64 -4.076 -21.330 9.354 343 HE2 HIS 64 2HE HIS 64 -5.491 -19.306 9.850 344 H PHE 65 H PHE 65 2.277 -17.562 10.385 345 HA PHE 65 HA PHE 65 4.201 -18.607 9.778 346 HB2 PHE 65 2HB PHE 65 2.720 -20.610 10.658 347 HB3 PHE 65 1HB PHE 65 2.772 -21.091 8.960 348 HD1 PHE 65 1HD PHE 65 4.913 -21.654 7.900 349 HD2 PHE 65 2HD PHE 65 4.646 -20.764 12.053 350 HE1 PHE 65 1HE PHE 65 7.131 -22.659 8.255 351 HE2 PHE 65 2HE PHE 65 6.861 -21.767 12.414 352 HZ PHE 65 HZ PHE 65 8.104 -22.718 10.510 353 H LYS 66 H LYS 66 1.745 -19.965 7.564 354 HA LYS 66 HA LYS 66 3.026 -18.574 5.341 355 HB2 LYS 66 2HB LYS 66 4.088 -20.834 5.542 356 HB3 LYS 66 1HB LYS 66 2.507 -21.550 5.260 357 HG2 LYS 66 2HG LYS 66 2.419 -20.736 3.052 358 HG3 LYS 66 1HG LYS 66 3.777 -19.643 3.321 359 HD2 LYS 66 2HD LYS 66 3.911 -22.658 3.329 360 HD3 LYS 66 1HD LYS 66 4.442 -21.607 2.015 361 HE2 LYS 66 2HE LYS 66 6.450 -21.740 3.008 362 HE3 LYS 66 1HE LYS 66 5.788 -20.548 4.125 363 HZ1 LYS 66 3HZ LYS 66 6.331 -23.378 4.535 364 HZ2 LYS 66 1HZ LYS 66 4.927 -22.776 5.261 365 HZ3 LYS 66 2HZ LYS 66 6.430 -22.088 5.624 366 H GLU 67 H GLU 67 1.491 -17.582 4.233 367 HA GLU 67 HA GLU 67 -1.173 -18.833 4.083 368 HB2 GLU 67 2HB GLU 67 -0.495 -16.353 5.187 369 HB3 GLU 67 1HB GLU 67 -1.205 -15.970 3.625 370 HG2 GLU 67 2HG GLU 67 -3.087 -17.583 4.353 371 HG3 GLU 67 1HG GLU 67 -2.438 -17.342 5.975 372 H PHE 68 H PHE 68 -2.317 -17.133 2.227 373 HA PHE 68 HA PHE 68 -0.590 -17.254 -0.138 374 HB2 PHE 68 2HB PHE 68 -3.217 -18.666 0.231 375 HB3 PHE 68 1HB PHE 68 -2.691 -18.161 -1.370 376 HD1 PHE 68 1HD PHE 68 0.082 -18.725 -1.512 377 HD2 PHE 68 2HD PHE 68 -2.965 -20.925 0.483 378 HE1 PHE 68 1HE PHE 68 1.433 -20.772 -1.713 379 HE2 PHE 68 2HE PHE 68 -1.620 -22.975 0.288 380 HZ PHE 68 HZ PHE 68 0.583 -22.900 -0.811 381 H ASP 69 H ASP 69 -0.513 -15.020 -0.271 382 HA ASP 69 HA ASP 69 -2.573 -13.731 -1.665 383 HB2 ASP 69 2HB ASP 69 -3.748 -13.804 0.498 384 HB3 ASP 69 1HB ASP 69 -2.406 -12.950 1.254 385 H LYS 70 H LYS 70 -1.608 -12.201 -2.816 386 HA LYS 70 HA LYS 70 0.836 -10.958 -1.735 387 HB2 LYS 70 2HB LYS 70 0.130 -11.158 -4.659 388 HB3 LYS 70 1HB LYS 70 1.691 -10.783 -3.944 389 HG2 LYS 70 2HG LYS 70 1.894 -13.058 -3.127 390 HG3 LYS 70 1HG LYS 70 0.295 -13.446 -3.768 391 HD2 LYS 70 2HD LYS 70 1.463 -14.167 -5.556 392 HD3 LYS 70 1HD LYS 70 1.495 -12.454 -5.980 393 HE2 LYS 70 2HE LYS 70 3.677 -12.180 -5.138 394 HE3 LYS 70 1HE LYS 70 3.620 -13.716 -4.273 395 HZ1 LYS 70 3HZ LYS 70 3.284 -13.851 -7.158 396 HZ2 LYS 70 1HZ LYS 70 4.138 -14.875 -6.118 397 HZ3 LYS 70 2HZ LYS 70 4.822 -13.410 -6.614 398 H ILE 71 H ILE 71 1.193 -8.701 -2.228 399 HA ILE 71 HA ILE 71 -1.239 -7.257 -3.027 400 HB ILE 71 HB ILE 71 0.508 -6.391 -0.729 401 HG12 ILE 71 2HG1 ILE 71 -2.306 -7.345 -0.414 402 HG13 ILE 71 1HG1 ILE 71 -1.012 -8.531 -0.520 403 HG21 ILE 71 1HG2 ILE 71 -1.151 -4.718 -0.338 404 HG22 ILE 71 2HG2 ILE 71 -2.212 -5.407 -1.567 405 HG23 ILE 71 3HG2 ILE 71 -0.700 -4.633 -2.041 406 HD11 ILE 71 3HD1 ILE 71 -0.985 -6.273 1.455 407 HD12 ILE 71 1HD1 ILE 71 0.014 -7.725 1.443 408 HD13 ILE 71 2HD1 ILE 71 -1.710 -7.844 1.797 409 H SER 72 H SER 72 -0.988 -5.481 -4.212 410 HA SER 72 HA SER 72 1.696 -4.408 -4.673 411 HB2 SER 72 2HB SER 72 0.759 -6.169 -6.440 412 HB3 SER 72 1HB SER 72 -0.076 -4.740 -7.049 413 HG SER 72 HG SER 72 1.787 -3.878 -7.639 414 H TYR 73 H TYR 73 1.469 -2.346 -6.123 415 HA TYR 73 HA TYR 73 -1.047 -0.979 -5.940 416 HB2 TYR 73 2HB TYR 73 -0.502 0.708 -4.380 417 HB3 TYR 73 1HB TYR 73 -0.041 -0.804 -3.612 418 HD1 TYR 73 1HD TYR 73 2.539 -1.477 -4.299 419 HD2 TYR 73 2HD TYR 73 0.934 2.454 -4.026 420 HE1 TYR 73 1HE TYR 73 4.801 -0.585 -3.929 421 HE2 TYR 73 2HE TYR 73 3.192 3.357 -3.655 422 HH TYR 73 HH TYR 73 5.404 2.477 -2.765 423 H ASP 74 H ASP 74 -0.891 1.290 -6.732 424 HA ASP 74 HA ASP 74 1.450 2.050 -8.215 425 HB2 ASP 74 2HB ASP 74 -0.803 0.681 -9.542 426 HB3 ASP 74 1HB ASP 74 -0.283 2.175 -10.316 427 H ILE 75 H ILE 75 1.191 4.162 -9.249 428 HA ILE 75 HA ILE 75 -0.832 5.761 -7.844 429 HB ILE 75 HB ILE 75 1.645 6.769 -9.221 430 HG12 ILE 75 2HG1 ILE 75 2.183 7.066 -6.590 431 HG13 ILE 75 1HG1 ILE 75 1.246 5.577 -6.547 432 HG21 ILE 75 1HG2 ILE 75 1.095 8.837 -8.509 433 HG22 ILE 75 2HG2 ILE 75 0.402 8.249 -7.003 434 HG23 ILE 75 3HG2 ILE 75 -0.535 8.171 -8.494 435 HD11 ILE 75 3HD1 ILE 75 3.927 6.101 -7.656 436 HD12 ILE 75 1HD1 ILE 75 2.907 4.964 -8.537 437 HD13 ILE 75 2HD1 ILE 75 3.291 4.674 -6.840 438 H SER 76 H SER 76 -2.454 6.660 -8.929 439 HA SER 76 HA SER 76 -2.354 6.639 -11.858 440 HB2 SER 76 2HB SER 76 -4.302 5.721 -10.165 441 HB3 SER 76 1HB SER 76 -4.915 7.318 -10.591 442 HG SER 76 HG SER 76 -5.563 6.363 -12.343 443 H THR 77 H THR 77 -1.078 8.540 -12.032 444 HA THR 77 HA THR 77 -0.767 10.761 -12.401 445 HB THR 77 HB THR 77 -3.563 11.551 -11.875 446 HG1 THR 77 1HG THR 77 -2.983 9.807 -14.029 447 HG21 THR 77 3HG2 THR 77 -1.427 12.261 -13.669 448 HG22 THR 77 1HG2 THR 77 -2.875 13.164 -13.230 449 HG23 THR 77 2HG2 THR 77 -2.936 11.983 -14.538 450 HA PRO 78 HA PRO 78 -0.233 12.135 -8.195 451 HB2 PRO 78 2HB PRO 78 0.967 14.523 -8.741 452 HB3 PRO 78 1HB PRO 78 1.809 12.974 -8.842 453 HG2 PRO 78 2HG PRO 78 0.594 14.616 -11.029 454 HG3 PRO 78 1HG PRO 78 2.147 13.761 -10.998 455 HD2 PRO 78 2HD PRO 78 -0.024 12.753 -12.244 456 HD3 PRO 78 1HD PRO 78 1.179 11.717 -11.451 457 H ILE 79 H ILE 79 -2.038 13.813 -10.623 458 HA ILE 79 HA ILE 79 -3.279 15.486 -8.546 459 HB ILE 79 HB ILE 79 -3.380 16.007 -11.516 460 HG12 ILE 79 2HG1 ILE 79 -1.742 17.916 -10.188 461 HG13 ILE 79 1HG1 ILE 79 -1.157 16.325 -9.740 462 HG21 ILE 79 1HG2 ILE 79 -4.342 17.393 -9.073 463 HG22 ILE 79 2HG2 ILE 79 -5.081 17.267 -10.669 464 HG23 ILE 79 3HG2 ILE 79 -3.744 18.392 -10.408 465 HD11 ILE 79 3HD1 ILE 79 -1.528 16.090 -12.441 466 HD12 ILE 79 1HD1 ILE 79 0.000 16.425 -11.631 467 HD13 ILE 79 2HD1 ILE 79 -0.971 17.749 -12.267 468 H ASN 80 H ASN 80 -3.975 12.730 -9.100 469 HA ASN 80 HA ASN 80 -6.791 13.162 -9.735 470 HB2 ASN 80 2HB ASN 80 -5.736 12.336 -11.799 471 HB3 ASN 80 1HB ASN 80 -5.154 10.921 -10.927 472 HD21 ASN 80 1HD2 ASN 80 -7.883 12.486 -12.356 473 HD22 ASN 80 2HD2 ASN 80 -8.974 11.154 -12.244 474 H PHE 81 H PHE 81 -5.863 9.871 -9.541 475 HA PHE 81 HA PHE 81 -6.333 9.807 -6.651 476 HB2 PHE 81 2HB PHE 81 -7.799 8.106 -8.677 477 HB3 PHE 81 1HB PHE 81 -7.903 7.918 -6.930 478 HD1 PHE 81 2HD PHE 81 -8.439 10.284 -5.716 479 HD2 PHE 81 1HD PHE 81 -9.562 9.167 -9.664 480 HE1 PHE 81 2HE PHE 81 -10.284 11.906 -5.649 481 HE2 PHE 81 1HE PHE 81 -11.410 10.789 -9.606 482 HZ PHE 81 HZ PHE 81 -11.775 12.162 -7.595 483 H LEU 82 H LEU 82 -5.934 7.563 -5.760 484 HA LEU 82 HA LEU 82 -3.468 6.539 -6.948 485 HB2 LEU 82 2HB LEU 82 -4.694 6.454 -4.227 486 HB3 LEU 82 1HB LEU 82 -3.549 5.203 -4.675 487 HG LEU 82 HG LEU 82 -2.453 7.005 -3.451 488 HD11 LEU 82 1HD1 LEU 82 -0.716 6.356 -4.675 489 HD12 LEU 82 2HD1 LEU 82 -1.055 7.717 -5.744 490 HD13 LEU 82 3HD1 LEU 82 -1.724 6.126 -6.104 491 HD21 LEU 82 3HD2 LEU 82 -2.747 8.943 -5.655 492 HD22 LEU 82 1HD2 LEU 82 -2.649 9.206 -3.914 493 HD23 LEU 82 2HD2 LEU 82 -4.170 8.690 -4.644 494 H CYS 83 H CYS 83 -3.199 4.413 -7.571 495 HA CYS 83 HA CYS 83 -5.666 2.804 -7.672 496 HB2 CYS 83 2HB CYS 83 -4.372 3.763 -9.823 497 HB3 CYS 83 1HB CYS 83 -3.488 2.256 -9.611 498 HG CYS 83 HG CYS 83 -5.642 2.040 -11.205 499 H ILE 84 H ILE 84 -5.506 1.356 -6.068 500 HA ILE 84 HA ILE 84 -2.955 -0.013 -5.614 501 HB ILE 84 HB ILE 84 -5.497 0.058 -3.997 502 HG12 ILE 84 2HG1 ILE 84 -3.695 1.966 -4.059 503 HG13 ILE 84 1HG1 ILE 84 -4.408 1.460 -2.531 504 HG21 ILE 84 1HG2 ILE 84 -2.997 -1.533 -3.483 505 HG22 ILE 84 2HG2 ILE 84 -4.608 -2.168 -3.812 506 HG23 ILE 84 3HG2 ILE 84 -4.297 -1.291 -2.315 507 HD11 ILE 84 3HD1 ILE 84 -2.467 0.700 -1.748 508 HD12 ILE 84 1HD1 ILE 84 -1.755 1.699 -3.015 509 HD13 ILE 84 2HD1 ILE 84 -2.014 -0.024 -3.291 510 H PHE 85 H PHE 85 -2.633 -2.093 -6.173 511 HA PHE 85 HA PHE 85 -4.963 -3.663 -7.045 512 HB2 PHE 85 2HB PHE 85 -2.389 -3.140 -8.481 513 HB3 PHE 85 1HB PHE 85 -3.216 -4.675 -8.725 514 HD1 PHE 85 2HD PHE 85 -5.797 -4.443 -9.246 515 HD2 PHE 85 1HD PHE 85 -2.891 -1.401 -9.886 516 HE1 PHE 85 2HE PHE 85 -7.276 -3.384 -10.902 517 HE2 PHE 85 1HE PHE 85 -4.365 -0.336 -11.542 518 HZ PHE 85 HZ PHE 85 -6.561 -1.327 -12.053 519 H ILE 86 H ILE 86 -5.044 -4.884 -5.189 520 HA ILE 86 HA ILE 86 -2.662 -6.321 -4.320 521 HB ILE 86 HB ILE 86 -3.974 -5.383 -2.556 522 HG12 ILE 86 2HG1 ILE 86 -3.004 -7.756 -2.334 523 HG13 ILE 86 1HG1 ILE 86 -4.178 -7.238 -1.133 524 HG21 ILE 86 1HG2 ILE 86 -6.125 -5.027 -3.009 525 HG22 ILE 86 2HG2 ILE 86 -6.381 -6.660 -2.393 526 HG23 ILE 86 3HG2 ILE 86 -6.214 -6.387 -4.126 527 HD11 ILE 86 3HD1 ILE 86 -5.850 -8.426 -2.818 528 HD12 ILE 86 1HD1 ILE 86 -4.981 -9.307 -1.564 529 HD13 ILE 86 2HD1 ILE 86 -4.386 -9.320 -3.223 530 HA PRO 87 HA PRO 87 -4.274 -9.727 -6.842 531 HB2 PRO 87 2HB PRO 87 -1.644 -10.787 -7.063 532 HB3 PRO 87 1HB PRO 87 -2.532 -9.856 -8.273 533 HG2 PRO 87 2HG PRO 87 -0.242 -9.005 -6.941 534 HG3 PRO 87 1HG PRO 87 -1.383 -7.957 -7.800 535 HD2 PRO 87 2HD PRO 87 -1.155 -8.521 -4.874 536 HD3 PRO 87 1HD PRO 87 -1.569 -7.008 -5.706 537 H THR 88 H THR 88 -5.266 -11.267 -5.686 538 HA THR 88 HA THR 88 -3.610 -12.943 -3.929 539 HB THR 88 HB THR 88 -4.895 -11.344 -2.550 540 HG1 THR 88 1HG THR 88 -5.609 -12.874 -1.143 541 HG21 THR 88 3HG2 THR 88 -7.466 -12.381 -2.570 542 HG22 THR 88 1HG2 THR 88 -7.070 -12.126 -4.270 543 HG23 THR 88 2HG2 THR 88 -6.955 -10.787 -3.127 544 H LEU 89 H LEU 89 -4.098 -15.108 -3.894 545 HA LEU 89 HA LEU 89 -5.561 -16.109 -6.145 546 HB2 LEU 89 2HB LEU 89 -3.478 -17.150 -5.273 547 HB3 LEU 89 1HB LEU 89 -4.356 -17.628 -3.832 548 HG LEU 89 HG LEU 89 -5.925 -18.701 -5.793 549 HD11 LEU 89 1HD1 LEU 89 -3.268 -19.555 -6.740 550 HD12 LEU 89 2HD1 LEU 89 -3.797 -17.953 -7.252 551 HD13 LEU 89 3HD1 LEU 89 -4.785 -19.368 -7.620 552 HD21 LEU 89 3HD2 LEU 89 -3.565 -19.989 -4.424 553 HD22 LEU 89 1HD2 LEU 89 -4.926 -20.839 -5.158 554 HD23 LEU 89 2HD2 LEU 89 -5.185 -19.810 -3.750 555 H PHE 90 H PHE 90 -6.151 -15.716 -2.734 556 HA PHE 90 HA PHE 90 -8.003 -15.972 -1.451 557 HB2 PHE 90 2HB PHE 90 -9.180 -14.675 -3.085 558 HB3 PHE 90 1HB PHE 90 -9.336 -16.058 -4.161 559 HD1 PHE 90 2HD PHE 90 -10.364 -14.780 -0.832 560 HD2 PHE 90 1HD PHE 90 -11.215 -17.426 -4.054 561 HE1 PHE 90 2HE PHE 90 -12.544 -15.306 0.181 562 HE2 PHE 90 1HE PHE 90 -13.397 -17.956 -3.048 563 HZ PHE 90 HZ PHE 90 -14.063 -16.896 -0.927 564 H ASP 91 H ASP 91 -8.709 -17.633 -0.311 565 HA ASP 91 HA ASP 91 -9.924 -19.946 -1.104 566 HB2 ASP 91 2HB ASP 91 -7.073 -20.020 -1.694 567 HB3 ASP 91 1HB ASP 91 -7.549 -21.327 -0.609 568 H MET 92 H MET 92 -7.380 -18.717 1.018 569 HA MET 92 HA MET 92 -8.842 -19.853 3.302 570 HB2 MET 92 2HB MET 92 -6.725 -21.140 2.670 571 HB3 MET 92 1HB MET 92 -5.831 -19.715 3.200 572 HG2 MET 92 2HG MET 92 -7.092 -19.966 5.404 573 HG3 MET 92 1HG MET 92 -7.532 -21.571 4.827 574 HE1 MET 92 3HE MET 92 -5.875 -22.944 7.039 575 HE2 MET 92 1HE MET 92 -4.917 -23.739 5.791 576 HE3 MET 92 2HE MET 92 -6.609 -23.344 5.486 577 H ASN 93 H ASN 93 -8.972 -17.209 2.203 578 HA ASN 93 HA ASN 93 -7.573 -15.613 4.236 579 HB2 ASN 93 2HB ASN 93 -8.959 -14.650 1.725 580 HB3 ASN 93 1HB ASN 93 -7.953 -13.690 2.806 581 HD21 ASN 93 1HD2 ASN 93 -5.796 -15.189 3.238 582 HD22 ASN 93 2HD2 ASN 93 -4.959 -15.520 1.764 583 H ASN 94 H ASN 94 -10.737 -16.348 2.894 584 HA ASN 94 HA ASN 94 -12.853 -15.965 3.633 585 HB2 ASN 94 2HB ASN 94 -11.223 -16.250 6.079 586 HB3 ASN 94 1HB ASN 94 -12.788 -15.478 6.306 587 HD21 ASN 94 1HD2 ASN 94 -12.962 -17.516 7.634 588 HD22 ASN 94 2HD2 ASN 94 -13.624 -18.901 6.843 589 H MET 95 H MET 95 -11.151 -13.682 2.800 590 HA MET 95 HA MET 95 -11.261 -11.416 2.655 591 HB2 MET 95 2HB MET 95 -14.022 -12.084 3.643 592 HB3 MET 95 1HB MET 95 -13.541 -10.421 3.336 593 HG2 MET 95 2HG MET 95 -12.800 -11.954 1.077 594 HG3 MET 95 1HG MET 95 -14.454 -12.389 1.501 595 HE1 MET 95 3HE MET 95 -16.149 -10.883 2.087 596 HE2 MET 95 1HE MET 95 -16.630 -10.332 0.481 597 HE3 MET 95 2HE MET 95 -16.260 -9.156 1.743 598 H ASP 96 H ASP 96 -9.731 -12.050 4.687 599 HA ASP 96 HA ASP 96 -10.538 -10.188 6.820 600 HB2 ASP 96 2HB ASP 96 -10.288 -12.903 7.176 601 HB3 ASP 96 1HB ASP 96 -8.701 -12.316 7.665 602 H LEU 97 H LEU 97 -8.827 -9.945 4.368 603 HA LEU 97 HA LEU 97 -6.317 -9.166 5.701 604 HB2 LEU 97 2HB LEU 97 -6.540 -9.677 2.754 605 HB3 LEU 97 1HB LEU 97 -5.103 -9.663 3.760 606 HG LEU 97 HG LEU 97 -7.237 -11.795 3.691 607 HD11 LEU 97 1HD1 LEU 97 -4.415 -11.606 2.707 608 HD12 LEU 97 2HD1 LEU 97 -5.860 -12.146 1.854 609 HD13 LEU 97 3HD1 LEU 97 -5.141 -13.164 3.101 610 HD21 LEU 97 3HD2 LEU 97 -4.987 -12.615 5.187 611 HD22 LEU 97 1HD2 LEU 97 -6.643 -12.382 5.746 612 HD23 LEU 97 2HD2 LEU 97 -5.490 -11.049 5.823 613 H LEU 98 H LEU 98 -8.959 -8.161 3.692 614 HA LEU 98 HA LEU 98 -7.755 -5.734 2.774 615 HB2 LEU 98 2HB LEU 98 -10.109 -7.194 2.243 616 HB3 LEU 98 1HB LEU 98 -10.625 -5.611 2.793 617 HG LEU 98 HG LEU 98 -8.899 -4.729 1.044 618 HD11 LEU 98 1HD1 LEU 98 -7.789 -6.628 0.317 619 HD12 LEU 98 2HD1 LEU 98 -8.978 -6.358 -0.957 620 HD13 LEU 98 3HD1 LEU 98 -9.262 -7.596 0.268 621 HD21 LEU 98 3HD2 LEU 98 -10.671 -4.253 -0.275 622 HD22 LEU 98 1HD2 LEU 98 -11.574 -4.925 1.083 623 HD23 LEU 98 2HD2 LEU 98 -11.224 -5.927 -0.326 624 H LYS 99 H LYS 99 -9.034 -6.699 5.751 625 HA LYS 99 HA LYS 99 -10.353 -4.444 6.689 626 HB2 LYS 99 2HB LYS 99 -9.397 -6.858 7.770 627 HB3 LYS 99 1HB LYS 99 -8.701 -5.585 8.763 628 HG2 LYS 99 2HG LYS 99 -10.613 -5.531 9.877 629 HG3 LYS 99 1HG LYS 99 -11.358 -4.840 8.435 630 HD2 LYS 99 2HD LYS 99 -11.063 -7.807 8.815 631 HD3 LYS 99 1HD LYS 99 -12.453 -6.916 9.438 632 HE2 LYS 99 2HE LYS 99 -13.349 -7.355 7.425 633 HE3 LYS 99 1HE LYS 99 -12.352 -6.004 6.885 634 HZ1 LYS 99 3HZ LYS 99 -11.619 -7.525 5.421 635 HZ2 LYS 99 1HZ LYS 99 -12.050 -8.849 6.385 636 HZ3 LYS 99 2HZ LYS 99 -10.615 -8.008 6.693 637 H GLN 100 H GLN 100 -6.890 -5.133 6.556 638 HA GLN 100 HA GLN 100 -6.182 -2.692 7.908 639 HB2 GLN 100 2HB GLN 100 -3.846 -3.337 7.248 640 HB3 GLN 100 1HB GLN 100 -4.700 -4.534 8.210 641 HG2 GLN 100 2HG GLN 100 -5.249 -5.195 5.555 642 HG3 GLN 100 1HG GLN 100 -3.541 -4.771 5.591 643 HE21 GLN 100 1HE2 GLN 100 -5.908 -7.081 6.415 644 HE22 GLN 100 2HE2 GLN 100 -4.860 -8.231 7.166 645 H ALA 101 H ALA 101 -6.287 -3.844 4.579 646 HA ALA 101 HA ALA 101 -5.012 -1.605 3.408 647 HB1 ALA 101 1HB ALA 101 -6.514 -3.948 2.476 648 HB2 ALA 101 2HB ALA 101 -5.047 -3.210 1.833 649 HB3 ALA 101 3HB ALA 101 -6.624 -2.537 1.423 650 H LEU 102 H LEU 102 -8.392 -2.387 4.080 651 HA LEU 102 HA LEU 102 -9.458 -0.053 2.842 652 HB2 LEU 102 2HB LEU 102 -10.515 -2.400 3.715 653 HB3 LEU 102 1HB LEU 102 -11.019 -1.316 4.997 654 HG LEU 102 HG LEU 102 -11.600 -0.909 2.061 655 HD11 LEU 102 1HD1 LEU 102 -14.000 -1.265 3.191 656 HD12 LEU 102 2HD1 LEU 102 -13.033 -2.314 4.228 657 HD13 LEU 102 3HD1 LEU 102 -13.060 -2.580 2.485 658 HD21 LEU 102 3HD2 LEU 102 -12.013 0.724 4.493 659 HD22 LEU 102 1HD2 LEU 102 -13.347 0.656 3.342 660 HD23 LEU 102 2HD2 LEU 102 -11.761 1.219 2.819 661 H LEU 103 H LEU 103 -8.136 -0.769 5.963 662 HA LEU 103 HA LEU 103 -9.283 1.555 7.238 663 HB2 LEU 103 2HB LEU 103 -7.572 -0.718 8.047 664 HB3 LEU 103 1HB LEU 103 -7.343 0.773 8.940 665 HG LEU 103 HG LEU 103 -10.104 -0.323 8.589 666 HD11 LEU 103 1HD1 LEU 103 -7.917 -1.489 10.194 667 HD12 LEU 103 2HD1 LEU 103 -9.363 -2.243 9.521 668 HD13 LEU 103 3HD1 LEU 103 -9.471 -1.293 11.003 669 HD21 LEU 103 3HD2 LEU 103 -9.124 0.903 11.092 670 HD22 LEU 103 1HD2 LEU 103 -10.663 1.103 10.254 671 HD23 LEU 103 2HD2 LEU 103 -9.230 1.960 9.685 672 H ILE 104 H ILE 104 -6.077 0.554 6.085 673 HA ILE 104 HA ILE 104 -4.667 2.830 6.885 674 HB ILE 104 HB ILE 104 -3.555 0.786 6.125 675 HG12 ILE 104 2HG1 ILE 104 -2.151 2.217 4.218 676 HG13 ILE 104 1HG1 ILE 104 -2.901 3.479 5.190 677 HG21 ILE 104 1HG2 ILE 104 -5.104 0.272 4.277 678 HG22 ILE 104 2HG2 ILE 104 -3.411 0.194 3.793 679 HG23 ILE 104 3HG2 ILE 104 -4.392 1.589 3.344 680 HD11 ILE 104 3HD1 ILE 104 -0.682 1.723 5.808 681 HD12 ILE 104 1HD1 ILE 104 -1.912 1.732 7.071 682 HD13 ILE 104 2HD1 ILE 104 -1.167 3.245 6.554 683 H LEU 105 H LEU 105 -6.344 2.155 3.817 684 HA LEU 105 HA LEU 105 -5.631 4.661 2.653 685 HB2 LEU 105 2HB LEU 105 -7.187 4.094 0.886 686 HB3 LEU 105 1HB LEU 105 -6.186 2.710 1.282 687 HG LEU 105 HG LEU 105 -8.238 2.066 2.810 688 HD11 LEU 105 1HD1 LEU 105 -9.978 3.099 0.730 689 HD12 LEU 105 2HD1 LEU 105 -9.225 4.383 1.674 690 HD13 LEU 105 3HD1 LEU 105 -10.166 3.131 2.483 691 HD21 LEU 105 3HD2 LEU 105 -9.062 1.465 0.126 692 HD22 LEU 105 1HD2 LEU 105 -8.350 0.405 1.341 693 HD23 LEU 105 2HD2 LEU 105 -7.309 1.337 0.266 694 H HIS 106 H HIS 106 -8.547 3.427 4.252 695 HA HIS 106 HA HIS 106 -10.167 5.669 3.870 696 HB2 HIS 106 2HB HIS 106 -10.965 3.465 4.695 697 HB3 HIS 106 1HB HIS 106 -10.190 3.793 6.243 698 HD1 HIS 106 1HD HIS 106 -11.605 4.918 7.936 699 HD2 HIS 106 2HD HIS 106 -13.069 5.448 4.084 700 HE1 HIS 106 1HE HIS 106 -13.797 6.114 8.208 701 HE2 HIS 106 2HE HIS 106 -14.614 6.513 5.858 702 H ASN 107 H ASN 107 -8.262 4.797 6.763 703 HA ASN 107 HA ASN 107 -8.708 7.129 8.207 704 HB2 ASN 107 2HB ASN 107 -6.683 4.981 8.246 705 HB3 ASN 107 1HB ASN 107 -6.203 6.490 9.014 706 HD21 ASN 107 1HD2 ASN 107 -7.416 7.260 10.783 707 HD22 ASN 107 2HD2 ASN 107 -8.389 6.188 11.726 708 H ASP 108 H ASP 108 -6.476 6.485 5.594 709 HA ASP 108 HA ASP 108 -4.764 8.678 5.886 710 HB2 ASP 108 2HB ASP 108 -4.671 6.640 4.260 711 HB3 ASP 108 1HB ASP 108 -5.573 7.694 3.177 712 H LEU 109 H LEU 109 -7.829 8.357 4.134 713 HA LEU 109 HA LEU 109 -7.804 11.233 3.577 714 HB2 LEU 109 2HB LEU 109 -8.263 9.545 1.759 715 HB3 LEU 109 1HB LEU 109 -9.764 9.171 2.578 716 HG LEU 109 HG LEU 109 -10.000 11.868 2.332 717 HD11 LEU 109 1HD1 LEU 109 -8.884 11.126 -0.328 718 HD12 LEU 109 2HD1 LEU 109 -7.781 11.633 0.953 719 HD13 LEU 109 3HD1 LEU 109 -9.067 12.710 0.415 720 HD21 LEU 109 3HD2 LEU 109 -11.759 11.364 1.004 721 HD22 LEU 109 1HD2 LEU 109 -11.374 9.716 1.510 722 HD23 LEU 109 2HD2 LEU 109 -10.806 10.313 -0.051 723 H HIS 110 H HIS 110 -8.839 9.266 6.001 724 HA HIS 110 HA HIS 110 -11.469 10.350 6.401 725 HB2 HIS 110 2HB HIS 110 -10.745 8.069 7.174 726 HB3 HIS 110 1HB HIS 110 -9.762 8.862 8.401 727 HD1 HIS 110 1HD HIS 110 -11.412 7.376 9.991 728 HD2 HIS 110 2HD HIS 110 -13.078 10.659 8.065 729 HE1 HIS 110 1HE HIS 110 -13.546 7.881 11.234 730 HE2 HIS 110 2HE HIS 110 -14.580 9.817 9.996 731 H GLU 111 H GLU 111 -8.686 10.445 8.637 732 HA GLU 111 HA GLU 111 -9.656 12.974 9.690 733 HB2 GLU 111 2HB GLU 111 -8.480 10.854 10.893 734 HB3 GLU 111 1HB GLU 111 -7.074 11.879 10.642 735 HG2 GLU 111 2HG GLU 111 -9.492 13.142 11.806 736 HG3 GLU 111 1HG GLU 111 -8.581 12.021 12.821 737 H TYR 112 H TYR 112 -6.422 11.846 8.662 738 HA TYR 112 HA TYR 112 -5.900 13.754 6.737 739 HB2 TYR 112 2HB TYR 112 -6.041 14.995 9.258 740 HB3 TYR 112 1HB TYR 112 -4.320 14.891 8.878 741 HD1 TYR 112 1HD TYR 112 -3.791 15.561 6.322 742 HD2 TYR 112 2HD TYR 112 -7.138 16.902 8.579 743 HE1 TYR 112 1HE TYR 112 -3.994 17.516 4.845 744 HE2 TYR 112 2HE TYR 112 -7.351 18.860 7.108 745 HH TYR 112 HH TYR 112 -5.615 19.140 4.157 746 H VAL 113 H VAL 113 -4.121 12.778 9.671 747 HA VAL 113 HA VAL 113 -2.036 11.881 9.931 748 HB VAL 113 HB VAL 113 -3.412 9.891 9.461 749 HG11 VAL 113 1HG1 VAL 113 -2.636 10.487 6.627 750 HG12 VAL 113 2HG1 VAL 113 -4.235 10.172 7.296 751 HG13 VAL 113 3HG1 VAL 113 -3.074 8.856 7.141 752 HG21 VAL 113 3HG2 VAL 113 -1.627 8.507 9.523 753 HG22 VAL 113 1HG2 VAL 113 -0.733 10.022 9.649 754 HG23 VAL 113 2HG2 VAL 113 -0.890 9.222 8.089 755 H GLU 114 H GLU 114 -1.877 14.116 8.316 756 HA GLU 114 HA GLU 114 0.141 13.329 6.318 757 HB2 GLU 114 2HB GLU 114 -2.115 14.630 5.723 758 HB3 GLU 114 1HB GLU 114 -1.127 16.013 6.176 759 HG2 GLU 114 2HG GLU 114 0.264 15.783 4.388 760 HG3 GLU 114 1HG GLU 114 0.029 14.044 4.291 Start of MODEL 2 1 H THR 26 H THR 26 -9.512 -17.780 -8.756 2 HA THR 26 HA THR 26 -7.834 -16.889 -6.540 3 HB THR 26 HB THR 26 -6.214 -17.214 -8.296 4 HG1 THR 26 1HG THR 26 -6.851 -14.455 -8.208 5 HG21 THR 26 3HG2 THR 26 -6.358 -16.524 -10.466 6 HG22 THR 26 1HG2 THR 26 -7.522 -15.250 -10.101 7 HG23 THR 26 2HG2 THR 26 -8.044 -16.934 -10.143 8 H SER 27 H SER 27 -8.165 -14.747 -5.930 9 HA SER 27 HA SER 27 -10.339 -13.340 -7.334 10 HB2 SER 27 2HB SER 27 -9.924 -13.484 -4.337 11 HB3 SER 27 1HB SER 27 -11.189 -12.573 -5.162 12 H LYS 28 H LYS 28 -9.877 -11.320 -7.923 13 HA LYS 28 HA LYS 28 -7.429 -10.105 -6.867 14 HB2 LYS 28 2HB LYS 28 -8.989 -9.635 -9.401 15 HB3 LYS 28 1HB LYS 28 -7.688 -8.575 -8.878 16 HG2 LYS 28 2HG LYS 28 -6.499 -11.023 -8.736 17 HG3 LYS 28 1HG LYS 28 -7.580 -11.219 -10.117 18 HD2 LYS 28 2HD LYS 28 -6.485 -9.649 -11.370 19 HD3 LYS 28 1HD LYS 28 -5.956 -8.734 -9.957 20 HE2 LYS 28 2HE LYS 28 -4.427 -10.687 -9.440 21 HE3 LYS 28 1HE LYS 28 -4.813 -11.294 -11.049 22 HZ1 LYS 28 3HZ LYS 28 -3.573 -9.716 -12.040 23 HZ2 LYS 28 1HZ LYS 28 -2.770 -9.676 -10.550 24 HZ3 LYS 28 2HZ LYS 28 -3.955 -8.522 -10.904 25 H GLN 29 H GLN 29 -7.403 -8.119 -5.901 26 HA GLN 29 HA GLN 29 -9.945 -6.665 -5.707 27 HB2 GLN 29 2HB GLN 29 -8.998 -8.190 -3.624 28 HB3 GLN 29 1HB GLN 29 -8.350 -6.594 -3.242 29 HG2 GLN 29 2HG GLN 29 -11.234 -7.349 -3.644 30 HG3 GLN 29 1HG GLN 29 -10.453 -6.840 -2.148 31 HE21 GLN 29 1HE2 GLN 29 -9.066 -4.667 -2.811 32 HE22 GLN 29 2HE2 GLN 29 -10.101 -3.420 -3.410 33 H GLU 30 H GLU 30 -9.796 -4.486 -5.707 34 HA GLU 30 HA GLU 30 -7.122 -3.290 -5.576 35 HB2 GLU 30 2HB GLU 30 -7.375 -2.112 -7.595 36 HB3 GLU 30 1HB GLU 30 -7.923 -3.744 -7.957 37 HG2 GLU 30 2HG GLU 30 -10.234 -3.037 -7.775 38 HG3 GLU 30 1HG GLU 30 -9.719 -1.413 -7.329 39 H LEU 31 H LEU 31 -7.020 -1.376 -4.532 40 HA LEU 31 HA LEU 31 -9.569 -0.228 -3.605 41 HB2 LEU 31 2HB LEU 31 -6.863 0.005 -2.294 42 HB3 LEU 31 1HB LEU 31 -8.394 0.565 -1.648 43 HG LEU 31 HG LEU 31 -8.700 -2.198 -2.172 44 HD11 LEU 31 1HD1 LEU 31 -6.910 -3.031 -0.578 45 HD12 LEU 31 2HD1 LEU 31 -6.085 -1.499 -0.872 46 HD13 LEU 31 3HD1 LEU 31 -6.388 -2.609 -2.208 47 HD21 LEU 31 3HD2 LEU 31 -8.189 -1.376 0.598 48 HD22 LEU 31 1HD2 LEU 31 -9.596 -2.164 -0.115 49 HD23 LEU 31 2HD2 LEU 31 -9.402 -0.417 -0.248 50 H ILE 32 H ILE 32 -9.893 1.980 -3.694 51 HA ILE 32 HA ILE 32 -7.937 3.466 -5.314 52 HB ILE 32 HB ILE 32 -10.889 4.051 -5.089 53 HG12 ILE 32 2HG1 ILE 32 -10.532 1.859 -6.144 54 HG13 ILE 32 1HG1 ILE 32 -11.114 3.039 -7.310 55 HG21 ILE 32 1HG2 ILE 32 -9.866 6.018 -5.765 56 HG22 ILE 32 2HG2 ILE 32 -10.292 5.262 -7.301 57 HG23 ILE 32 3HG2 ILE 32 -8.634 5.172 -6.698 58 HD11 ILE 32 3HD1 ILE 32 -8.509 3.338 -7.720 59 HD12 ILE 32 1HD1 ILE 32 -9.467 2.108 -8.545 60 HD13 ILE 32 2HD1 ILE 32 -8.502 1.672 -7.130 61 H LEU 33 H LEU 33 -6.738 4.585 -3.883 62 HA LEU 33 HA LEU 33 -7.988 5.870 -1.597 63 HB2 LEU 33 2HB LEU 33 -5.882 4.792 -1.197 64 HB3 LEU 33 1HB LEU 33 -5.124 5.669 -2.519 65 HG LEU 33 HG LEU 33 -5.852 7.761 -1.015 66 HD11 LEU 33 1HD1 LEU 33 -6.907 6.584 0.749 67 HD12 LEU 33 2HD1 LEU 33 -5.354 7.147 1.368 68 HD13 LEU 33 3HD1 LEU 33 -5.557 5.459 0.895 69 HD21 LEU 33 3HD2 LEU 33 -3.455 6.186 -1.383 70 HD22 LEU 33 1HD2 LEU 33 -3.482 6.982 0.188 71 HD23 LEU 33 2HD2 LEU 33 -3.652 7.936 -1.285 72 H VAL 34 H VAL 34 -8.086 8.063 -1.251 73 HA VAL 34 HA VAL 34 -8.219 10.286 -1.723 74 HB VAL 34 HB VAL 34 -6.419 9.777 -4.088 75 HG11 VAL 34 1HG1 VAL 34 -5.842 12.091 -3.915 76 HG12 VAL 34 2HG1 VAL 34 -6.770 12.254 -2.418 77 HG13 VAL 34 3HG1 VAL 34 -7.609 11.960 -3.953 78 HG21 VAL 34 3HG2 VAL 34 -5.841 9.798 -1.199 79 HG22 VAL 34 1HG2 VAL 34 -4.752 10.735 -2.212 80 HG23 VAL 34 2HG2 VAL 34 -4.986 9.010 -2.517 81 H LEU 35 H LEU 35 -9.856 11.331 -2.619 82 HA LEU 35 HA LEU 35 -10.934 10.311 -5.165 83 HB2 LEU 35 2HB LEU 35 -12.160 10.301 -2.712 84 HB3 LEU 35 1HB LEU 35 -12.766 11.794 -3.407 85 HG LEU 35 HG LEU 35 -12.995 9.789 -5.410 86 HD11 LEU 35 1HD1 LEU 35 -12.860 8.377 -3.190 87 HD12 LEU 35 2HD1 LEU 35 -14.014 7.976 -4.456 88 HD13 LEU 35 3HD1 LEU 35 -14.545 8.883 -3.039 89 HD21 LEU 35 3HD2 LEU 35 -14.838 11.456 -3.750 90 HD22 LEU 35 1HD2 LEU 35 -15.501 10.204 -4.801 91 HD23 LEU 35 2HD2 LEU 35 -14.532 11.503 -5.486 92 H LYS 36 H LYS 36 -10.401 13.164 -3.144 93 HA LYS 36 HA LYS 36 -11.396 15.056 -5.014 94 HB2 LYS 36 2HB LYS 36 -10.630 15.161 -2.396 95 HB3 LYS 36 1HB LYS 36 -9.269 15.951 -3.181 96 HG2 LYS 36 2HG LYS 36 -10.724 17.583 -4.180 97 HG3 LYS 36 1HG LYS 36 -12.143 16.743 -3.560 98 HD2 LYS 36 2HD LYS 36 -11.956 18.314 -1.924 99 HD3 LYS 36 1HD LYS 36 -10.847 17.108 -1.260 100 HE2 LYS 36 2HE LYS 36 -9.401 18.826 -1.165 101 HE3 LYS 36 1HE LYS 36 -9.181 18.482 -2.884 102 HZ1 LYS 36 3HZ LYS 36 -10.507 20.716 -1.595 103 HZ2 LYS 36 1HZ LYS 36 -11.286 20.107 -2.970 104 HZ3 LYS 36 2HZ LYS 36 -9.687 20.655 -3.066 105 H GLY 37 H GLY 37 -8.024 14.390 -4.046 106 HA2 GLY 37 2HA GLY 37 -6.685 13.887 -6.236 107 HA3 GLY 37 1HA GLY 37 -7.142 15.545 -6.601 108 H GLU 38 H GLU 38 -6.794 16.862 -4.293 109 HA GLU 38 HA GLU 38 -5.153 18.025 -3.219 110 HB2 GLU 38 2HB GLU 38 -3.948 16.752 -1.556 111 HB3 GLU 38 1HB GLU 38 -5.572 16.093 -1.708 112 HG2 GLU 38 2HG GLU 38 -4.826 14.174 -2.805 113 HG3 GLU 38 1HG GLU 38 -3.270 14.896 -3.202 114 H LEU 39 H LEU 39 -2.528 17.589 -2.623 115 HA LEU 39 HA LEU 39 -1.279 17.390 -5.287 116 HB2 LEU 39 2HB LEU 39 -1.381 19.608 -3.735 117 HB3 LEU 39 1HB LEU 39 0.124 18.910 -3.180 118 HG LEU 39 HG LEU 39 0.586 18.757 -5.797 119 HD11 LEU 39 1HD1 LEU 39 -0.310 20.609 -7.001 120 HD12 LEU 39 2HD1 LEU 39 -1.146 21.206 -5.569 121 HD13 LEU 39 3HD1 LEU 39 -1.654 19.697 -6.322 122 HD21 LEU 39 3HD2 LEU 39 0.889 21.335 -4.271 123 HD22 LEU 39 1HD2 LEU 39 1.891 20.747 -5.597 124 HD23 LEU 39 2HD2 LEU 39 1.923 19.915 -4.043 125 H ASP 40 H ASP 40 1.174 16.988 -5.071 126 HA ASP 40 HA ASP 40 1.585 14.855 -3.089 127 HB2 ASP 40 2HB ASP 40 2.188 15.017 -5.987 128 HB3 ASP 40 1HB ASP 40 3.386 14.217 -4.983 129 H LEU 41 H LEU 41 3.175 15.145 -1.675 130 HA LEU 41 HA LEU 41 5.062 17.337 -2.117 131 HB2 LEU 41 2HB LEU 41 4.071 15.896 0.310 132 HB3 LEU 41 1HB LEU 41 5.594 16.761 0.373 133 HG LEU 41 HG LEU 41 3.877 18.188 1.229 134 HD11 LEU 41 1HD1 LEU 41 4.284 19.254 -1.532 135 HD12 LEU 41 2HD1 LEU 41 5.655 19.050 -0.443 136 HD13 LEU 41 3HD1 LEU 41 4.319 20.101 0.004 137 HD21 LEU 41 3HD2 LEU 41 1.953 18.862 -0.164 138 HD22 LEU 41 1HD2 LEU 41 1.936 17.151 0.257 139 HD23 LEU 41 2HD2 LEU 41 2.430 17.658 -1.364 140 H HIS 42 H HIS 42 5.409 14.302 -0.305 141 HA HIS 42 HA HIS 42 7.922 13.828 -1.772 142 HB2 HIS 42 2HB HIS 42 7.299 13.069 1.087 143 HB3 HIS 42 1HB HIS 42 8.820 12.801 0.247 144 HD1 HIS 42 1HD HIS 42 10.339 14.880 -0.135 145 HD2 HIS 42 2HD HIS 42 6.883 15.649 2.044 146 HE1 HIS 42 1HE HIS 42 10.681 17.150 0.887 147 HE2 HIS 42 2HE HIS 42 8.621 17.558 2.274 148 H SER 43 H SER 43 5.098 12.854 -2.223 149 HA SER 43 HA SER 43 4.012 10.938 -2.803 150 HB2 SER 43 2HB SER 43 6.704 9.620 -3.069 151 HB3 SER 43 1HB SER 43 5.253 9.372 -4.044 152 HG SER 43 HG SER 43 6.851 11.725 -3.979 153 H LYS 44 H LYS 44 4.493 11.333 -0.007 154 HA LYS 44 HA LYS 44 5.410 9.071 1.338 155 HB2 LYS 44 2HB LYS 44 4.787 11.335 2.315 156 HB3 LYS 44 1HB LYS 44 3.113 10.786 2.275 157 HG2 LYS 44 2HG LYS 44 3.887 8.805 3.659 158 HG3 LYS 44 1HG LYS 44 5.394 9.696 3.895 159 HD2 LYS 44 2HD LYS 44 4.439 11.196 5.291 160 HD3 LYS 44 1HD LYS 44 2.919 11.214 4.403 161 HE2 LYS 44 2HE LYS 44 2.278 9.103 5.405 162 HE3 LYS 44 1HE LYS 44 3.835 8.992 6.226 163 HZ1 LYS 44 3HZ LYS 44 3.211 10.461 7.793 164 HZ2 LYS 44 1HZ LYS 44 1.649 9.981 7.357 165 HZ3 LYS 44 2HZ LYS 44 2.308 11.406 6.724 166 H ASN 45 H ASN 45 2.488 9.582 -0.427 167 HA ASN 45 HA ASN 45 0.771 7.739 0.751 168 HB2 ASN 45 2HB ASN 45 1.028 8.976 -1.925 169 HB3 ASN 45 1HB ASN 45 0.092 7.489 -1.857 170 HD21 ASN 45 1HD2 ASN 45 -1.214 7.606 0.455 171 HD22 ASN 45 2HD2 ASN 45 -2.251 8.987 0.521 172 H MET 46 H MET 46 3.079 7.212 -1.915 173 HA MET 46 HA MET 46 2.579 4.476 -2.249 174 HB2 MET 46 2HB MET 46 4.693 4.384 -3.436 175 HB3 MET 46 1HB MET 46 3.843 5.871 -3.857 176 HG2 MET 46 2HG MET 46 5.618 7.057 -3.267 177 HG3 MET 46 1HG MET 46 5.511 6.415 -1.630 178 HE1 MET 46 3HE MET 46 8.000 7.181 -4.029 179 HE2 MET 46 1HE MET 46 9.282 6.215 -3.298 180 HE3 MET 46 2HE MET 46 8.263 7.242 -2.289 181 H LYS 47 H LYS 47 4.538 6.197 0.071 182 HA LYS 47 HA LYS 47 5.954 3.884 1.001 183 HB2 LYS 47 2HB LYS 47 5.565 6.588 2.304 184 HB3 LYS 47 1HB LYS 47 6.706 5.357 2.829 185 HG2 LYS 47 2HG LYS 47 6.886 6.250 0.014 186 HG3 LYS 47 1HG LYS 47 7.399 7.387 1.266 187 HD2 LYS 47 2HD LYS 47 8.424 4.731 1.775 188 HD3 LYS 47 1HD LYS 47 8.893 5.301 0.171 189 HE2 LYS 47 2HE LYS 47 10.563 5.926 1.820 190 HE3 LYS 47 1HE LYS 47 9.778 7.364 1.166 191 HZ1 LYS 47 3HZ LYS 47 9.611 7.877 3.336 192 HZ2 LYS 47 1HZ LYS 47 9.703 6.272 3.859 193 HZ3 LYS 47 2HZ LYS 47 8.240 6.889 3.278 194 H ASN 48 H ASN 48 2.899 5.368 1.663 195 HA ASN 48 HA ASN 48 2.494 4.214 4.241 196 HB2 ASN 48 2HB ASN 48 1.219 6.153 2.754 197 HB3 ASN 48 1HB ASN 48 0.073 4.821 2.706 198 HD21 ASN 48 1HD2 ASN 48 -0.843 6.928 3.913 199 HD22 ASN 48 2HD2 ASN 48 -0.823 6.774 5.633 200 H VAL 49 H VAL 49 1.740 3.261 0.937 201 HA VAL 49 HA VAL 49 0.150 1.011 1.697 202 HB VAL 49 HB VAL 49 1.514 1.448 -0.958 203 HG11 VAL 49 1HG1 VAL 49 -0.306 0.060 -1.816 204 HG12 VAL 49 2HG1 VAL 49 -0.945 -0.121 -0.185 205 HG13 VAL 49 3HG1 VAL 49 0.625 -0.803 -0.598 206 HG21 VAL 49 3HG2 VAL 49 0.113 3.396 -0.188 207 HG22 VAL 49 1HG2 VAL 49 -1.275 2.315 -0.215 208 HG23 VAL 49 2HG2 VAL 49 -0.391 2.658 -1.703 209 H ILE 50 H ILE 50 3.452 1.381 0.424 210 HA ILE 50 HA ILE 50 4.166 -1.308 0.409 211 HB ILE 50 HB ILE 50 5.536 0.460 -0.616 212 HG12 ILE 50 2HG1 ILE 50 7.490 -0.672 1.281 213 HG13 ILE 50 1HG1 ILE 50 6.403 -1.856 0.552 214 HG21 ILE 50 1HG2 ILE 50 6.788 2.017 0.582 215 HG22 ILE 50 2HG2 ILE 50 6.636 1.121 2.094 216 HG23 ILE 50 3HG2 ILE 50 5.244 1.984 1.436 217 HD11 ILE 50 3HD1 ILE 50 7.516 0.022 -1.372 218 HD12 ILE 50 1HD1 ILE 50 7.427 -1.741 -1.419 219 HD13 ILE 50 2HD1 ILE 50 8.730 -0.944 -0.537 220 H ASN 51 H ASN 51 3.916 0.949 3.051 221 HA ASN 51 HA ASN 51 5.400 -0.628 4.929 222 HB2 ASN 51 2HB ASN 51 5.104 1.833 5.141 223 HB3 ASN 51 1HB ASN 51 3.393 1.573 5.468 224 HD21 ASN 51 1HD2 ASN 51 6.158 2.295 6.917 225 HD22 ASN 51 2HD2 ASN 51 5.912 1.580 8.470 226 H ASN 52 H ASN 52 1.949 -0.061 4.294 227 HA ASN 52 HA ASN 52 1.056 -1.849 6.334 228 HB2 ASN 52 2HB ASN 52 -0.176 -0.171 4.254 229 HB3 ASN 52 1HB ASN 52 -1.067 -1.642 4.624 230 HD21 ASN 52 1HD2 ASN 52 -2.757 -0.751 5.677 231 HD22 ASN 52 2HD2 ASN 52 -2.625 0.109 7.169 232 H ALA 53 H ALA 53 1.309 -2.073 2.800 233 HA ALA 53 HA ALA 53 0.291 -4.644 2.491 234 HB1 ALA 53 1HB ALA 53 2.461 -3.377 0.833 235 HB2 ALA 53 2HB ALA 53 0.745 -3.048 0.645 236 HB3 ALA 53 3HB ALA 53 1.378 -4.667 0.340 237 H LYS 54 H LYS 54 3.420 -3.548 3.551 238 HA LYS 54 HA LYS 54 4.748 -6.065 3.261 239 HB2 LYS 54 2HB LYS 54 5.402 -3.402 4.360 240 HB3 LYS 54 1HB LYS 54 6.240 -4.755 5.104 241 HG2 LYS 54 2HG LYS 54 6.652 -5.404 2.563 242 HG3 LYS 54 1HG LYS 54 6.456 -3.661 2.361 243 HD2 LYS 54 2HD LYS 54 8.120 -3.667 4.458 244 HD3 LYS 54 1HD LYS 54 8.602 -5.192 3.716 245 HE2 LYS 54 2HE LYS 54 9.345 -4.176 1.784 246 HE3 LYS 54 1HE LYS 54 8.331 -2.752 2.018 247 HZ1 LYS 54 3HZ LYS 54 10.937 -2.794 2.508 248 HZ2 LYS 54 1HZ LYS 54 10.360 -3.208 4.043 249 HZ3 LYS 54 2HZ LYS 54 9.861 -1.767 3.312 250 H LYS 55 H LYS 55 3.282 -4.312 5.972 251 HA LYS 55 HA LYS 55 3.925 -6.107 8.010 252 HB2 LYS 55 2HB LYS 55 2.653 -3.733 7.940 253 HB3 LYS 55 1HB LYS 55 1.268 -4.802 8.139 254 HG2 LYS 55 2HG LYS 55 2.328 -5.766 10.139 255 HG3 LYS 55 1HG LYS 55 3.664 -4.635 9.949 256 HD2 LYS 55 2HD LYS 55 0.990 -3.414 9.954 257 HD3 LYS 55 1HD LYS 55 1.465 -4.177 11.473 258 HE2 LYS 55 2HE LYS 55 3.581 -2.555 10.271 259 HE3 LYS 55 1HE LYS 55 2.134 -1.632 10.674 260 HZ1 LYS 55 3HZ LYS 55 3.806 -1.778 12.481 261 HZ2 LYS 55 1HZ LYS 55 3.510 -3.437 12.583 262 HZ3 LYS 55 2HZ LYS 55 2.278 -2.331 12.925 263 H ASN 56 H ASN 56 1.013 -5.949 5.977 264 HA ASN 56 HA ASN 56 -0.337 -8.129 7.072 265 HB2 ASN 56 2HB ASN 56 -0.370 -7.203 4.188 266 HB3 ASN 56 1HB ASN 56 -1.596 -8.205 4.974 267 HD21 ASN 56 1HD2 ASN 56 -1.317 -5.334 3.789 268 HD22 ASN 56 2HD2 ASN 56 -2.178 -4.373 4.938 269 H LEU 57 H LEU 57 1.696 -8.074 4.137 270 HA LEU 57 HA LEU 57 1.667 -10.751 3.518 271 HB2 LEU 57 2HB LEU 57 3.191 -8.483 2.787 272 HB3 LEU 57 1HB LEU 57 4.336 -9.765 3.146 273 HG LEU 57 HG LEU 57 3.915 -9.902 0.832 274 HD11 LEU 57 1HD1 LEU 57 3.205 -11.972 2.566 275 HD12 LEU 57 2HD1 LEU 57 3.692 -12.105 0.876 276 HD13 LEU 57 3HD1 LEU 57 1.984 -11.973 1.295 277 HD21 LEU 57 3HD2 LEU 57 0.998 -10.250 0.983 278 HD22 LEU 57 1HD2 LEU 57 1.982 -9.401 -0.209 279 HD23 LEU 57 2HD2 LEU 57 1.585 -8.622 1.322 280 H GLU 58 H GLU 58 4.080 -9.113 5.565 281 HA GLU 58 HA GLU 58 5.419 -11.455 6.358 282 HB2 GLU 58 2HB GLU 58 5.268 -8.663 7.412 283 HB3 GLU 58 1HB GLU 58 6.058 -9.901 8.380 284 HG2 GLU 58 2HG GLU 58 7.683 -10.301 6.708 285 HG3 GLU 58 1HG GLU 58 6.800 -9.339 5.524 286 H LYS 59 H LYS 59 2.533 -9.889 7.524 287 HA LYS 59 HA LYS 59 2.321 -10.980 10.073 288 HB2 LYS 59 2HB LYS 59 0.802 -9.267 8.876 289 HB3 LYS 59 1HB LYS 59 -0.057 -10.670 8.258 290 HG2 LYS 59 2HG LYS 59 0.403 -10.665 11.160 291 HG3 LYS 59 1HG LYS 59 -0.665 -9.396 10.558 292 HD2 LYS 59 2HD LYS 59 -1.957 -11.166 9.353 293 HD3 LYS 59 1HD LYS 59 -0.966 -12.371 10.178 294 HE2 LYS 59 2HE LYS 59 -2.829 -10.364 11.433 295 HE3 LYS 59 1HE LYS 59 -3.018 -12.116 11.390 296 HZ1 LYS 59 3HZ LYS 59 -2.132 -11.908 13.444 297 HZ2 LYS 59 1HZ LYS 59 -1.312 -10.472 13.088 298 HZ3 LYS 59 2HZ LYS 59 -0.675 -11.957 12.585 299 H TYR 60 H TYR 60 1.550 -12.366 6.931 300 HA TYR 60 HA TYR 60 0.416 -14.765 8.051 301 HB2 TYR 60 2HB TYR 60 1.358 -14.399 5.208 302 HB3 TYR 60 1HB TYR 60 0.114 -15.498 5.811 303 HD1 TYR 60 2HD TYR 60 -2.037 -14.482 6.718 304 HD2 TYR 60 1HD TYR 60 0.796 -12.251 4.462 305 HE1 TYR 60 2HE TYR 60 -3.764 -12.802 6.222 306 HE2 TYR 60 1HE TYR 60 -0.922 -10.565 3.959 307 HH TYR 60 HH TYR 60 -3.433 -10.475 3.836 308 H PHE 61 H PHE 61 3.475 -13.816 6.561 309 HA PHE 61 HA PHE 61 4.647 -16.390 6.566 310 HB2 PHE 61 2HB PHE 61 5.430 -14.323 5.276 311 HB3 PHE 61 1HB PHE 61 6.194 -13.805 6.783 312 HD1 PHE 61 1HD PHE 61 5.949 -17.245 5.394 313 HD2 PHE 61 2HD PHE 61 8.454 -13.935 6.298 314 HE1 PHE 61 1HE PHE 61 7.928 -18.604 4.864 315 HE2 PHE 61 2HE PHE 61 10.443 -15.286 5.769 316 HZ PHE 61 HZ PHE 61 10.180 -17.625 5.051 317 H LYS 62 H LYS 62 4.227 -13.995 9.034 318 HA LYS 62 HA LYS 62 6.202 -15.200 10.785 319 HB2 LYS 62 2HB LYS 62 5.279 -12.652 10.552 320 HB3 LYS 62 1HB LYS 62 4.317 -13.228 11.907 321 HG2 LYS 62 2HG LYS 62 7.293 -13.543 11.827 322 HG3 LYS 62 1HG LYS 62 6.514 -12.084 12.439 323 HD2 LYS 62 2HD LYS 62 6.358 -13.100 14.414 324 HD3 LYS 62 1HD LYS 62 5.180 -14.187 13.684 325 HE2 LYS 62 2HE LYS 62 6.737 -15.656 14.564 326 HE3 LYS 62 1HE LYS 62 7.256 -15.509 12.885 327 HZ1 LYS 62 3HZ LYS 62 8.413 -13.614 14.753 328 HZ2 LYS 62 1HZ LYS 62 9.134 -14.441 13.465 329 HZ3 LYS 62 2HZ LYS 62 8.894 -15.223 14.946 330 H GLU 63 H GLU 63 2.806 -15.410 10.181 331 HA GLU 63 HA GLU 63 2.330 -16.741 12.740 332 HB2 GLU 63 2HB GLU 63 0.736 -15.165 10.946 333 HB3 GLU 63 1HB GLU 63 -0.033 -16.733 11.194 334 HG2 GLU 63 2HG GLU 63 0.710 -16.002 13.735 335 HG3 GLU 63 1HG GLU 63 0.238 -14.470 13.001 336 H HIS 64 H HIS 64 2.086 -17.392 9.251 337 HA HIS 64 HA HIS 64 1.702 -20.230 9.903 338 HB2 HIS 64 2HB HIS 64 0.788 -18.523 7.645 339 HB3 HIS 64 1HB HIS 64 1.109 -20.223 7.315 340 HD1 HIS 64 1HD HIS 64 -0.592 -21.911 8.129 341 HD2 HIS 64 2HD HIS 64 -1.348 -18.058 9.487 342 HE1 HIS 64 1HE HIS 64 -2.878 -22.003 9.172 343 HE2 HIS 64 2HE HIS 64 -3.273 -19.684 10.073 344 H PHE 65 H PHE 65 4.211 -18.391 9.408 345 HA PHE 65 HA PHE 65 6.262 -18.556 8.382 346 HB2 PHE 65 2HB PHE 65 5.583 -21.003 9.756 347 HB3 PHE 65 1HB PHE 65 6.690 -21.330 8.420 348 HD1 PHE 65 2HD PHE 65 8.827 -19.939 8.299 349 HD2 PHE 65 1HD PHE 65 6.373 -20.160 11.768 350 HE1 PHE 65 2HE PHE 65 10.715 -19.174 9.678 351 HE2 PHE 65 1HE PHE 65 8.255 -19.395 13.154 352 HZ PHE 65 HZ PHE 65 10.428 -18.902 12.108 353 H LYS 66 H LYS 66 4.017 -18.660 6.523 354 HA LYS 66 HA LYS 66 5.360 -20.091 4.333 355 HB2 LYS 66 2HB LYS 66 3.109 -21.077 5.344 356 HB3 LYS 66 1HB LYS 66 2.391 -19.872 4.285 357 HG2 LYS 66 2HG LYS 66 2.436 -21.773 2.970 358 HG3 LYS 66 1HG LYS 66 3.880 -20.899 2.456 359 HD2 LYS 66 2HD LYS 66 5.114 -22.680 2.955 360 HD3 LYS 66 1HD LYS 66 4.626 -22.529 4.644 361 HE2 LYS 66 2HE LYS 66 3.910 -24.657 4.196 362 HE3 LYS 66 1HE LYS 66 2.459 -23.743 3.788 363 HZ1 LYS 66 3HZ LYS 66 2.993 -23.871 1.487 364 HZ2 LYS 66 1HZ LYS 66 3.104 -25.438 2.117 365 HZ3 LYS 66 2HZ LYS 66 4.509 -24.551 1.802 366 H GLU 67 H GLU 67 3.179 -17.478 5.281 367 HA GLU 67 HA GLU 67 2.950 -15.365 4.445 368 HB2 GLU 67 2HB GLU 67 5.447 -15.707 3.841 369 HB3 GLU 67 1HB GLU 67 4.858 -15.999 2.210 370 HG2 GLU 67 2HG GLU 67 4.158 -13.826 1.928 371 HG3 GLU 67 1HG GLU 67 4.015 -13.535 3.660 372 H PHE 68 H PHE 68 0.816 -16.114 3.923 373 HA PHE 68 HA PHE 68 0.344 -16.911 1.156 374 HB2 PHE 68 2HB PHE 68 -1.106 -17.156 3.694 375 HB3 PHE 68 1HB PHE 68 -2.136 -16.703 2.340 376 HD1 PHE 68 1HD PHE 68 -1.699 -18.131 0.142 377 HD2 PHE 68 2HD PHE 68 -0.798 -19.387 4.107 378 HE1 PHE 68 1HE PHE 68 -1.773 -20.479 -0.589 379 HE2 PHE 68 2HE PHE 68 -0.868 -21.737 3.383 380 HZ PHE 68 HZ PHE 68 -1.356 -22.286 1.032 381 H ASP 69 H ASP 69 -1.494 -15.853 -0.006 382 HA ASP 69 HA ASP 69 -2.415 -14.019 -0.987 383 HB2 ASP 69 2HB ASP 69 -2.142 -12.677 1.706 384 HB3 ASP 69 1HB ASP 69 -3.276 -12.274 0.422 385 H LYS 70 H LYS 70 -1.909 -11.945 -1.868 386 HA LYS 70 HA LYS 70 0.786 -10.950 -1.257 387 HB2 LYS 70 2HB LYS 70 -0.084 -12.235 -3.698 388 HB3 LYS 70 1HB LYS 70 0.439 -10.587 -4.018 389 HG2 LYS 70 2HG LYS 70 2.597 -11.009 -3.118 390 HG3 LYS 70 1HG LYS 70 2.090 -12.575 -2.481 391 HD2 LYS 70 2HD LYS 70 1.663 -12.276 -5.360 392 HD3 LYS 70 1HD LYS 70 3.357 -12.165 -4.876 393 HE2 LYS 70 2HE LYS 70 3.453 -14.333 -4.229 394 HE3 LYS 70 1HE LYS 70 1.788 -14.345 -3.650 395 HZ1 LYS 70 3HZ LYS 70 2.279 -14.163 -6.538 396 HZ2 LYS 70 1HZ LYS 70 0.979 -14.862 -5.709 397 HZ3 LYS 70 2HZ LYS 70 2.468 -15.662 -5.779 398 H ILE 71 H ILE 71 1.161 -8.734 -1.940 399 HA ILE 71 HA ILE 71 -1.299 -7.220 -2.466 400 HB ILE 71 HB ILE 71 0.745 -6.374 -0.419 401 HG12 ILE 71 2HG1 ILE 71 -2.064 -7.328 0.097 402 HG13 ILE 71 1HG1 ILE 71 -0.679 -8.413 0.145 403 HG21 ILE 71 1HG2 ILE 71 -2.005 -5.270 -0.958 404 HG22 ILE 71 2HG2 ILE 71 -0.529 -4.594 -1.651 405 HG23 ILE 71 3HG2 ILE 71 -0.760 -4.599 0.098 406 HD11 ILE 71 3HD1 ILE 71 -1.503 -6.299 2.038 407 HD12 ILE 71 1HD1 ILE 71 0.227 -6.541 1.797 408 HD13 ILE 71 2HD1 ILE 71 -0.784 -7.880 2.341 409 H SER 72 H SER 72 -1.122 -5.559 -3.802 410 HA SER 72 HA SER 72 1.528 -4.595 -4.587 411 HB2 SER 72 2HB SER 72 0.258 -6.421 -6.137 412 HB3 SER 72 1HB SER 72 -0.413 -4.929 -6.798 413 HG SER 72 HG SER 72 1.745 -4.205 -7.108 414 H TYR 73 H TYR 73 1.362 -2.544 -5.885 415 HA TYR 73 HA TYR 73 -1.117 -1.103 -5.763 416 HB2 TYR 73 2HB TYR 73 -0.535 0.556 -4.170 417 HB3 TYR 73 1HB TYR 73 -0.198 -0.994 -3.412 418 HD1 TYR 73 1HD TYR 73 2.348 -1.823 -3.967 419 HD2 TYR 73 2HD TYR 73 0.999 2.208 -3.763 420 HE1 TYR 73 1HE TYR 73 4.641 -1.087 -3.493 421 HE2 TYR 73 2HE TYR 73 3.294 2.959 -3.290 422 HH TYR 73 HH TYR 73 5.837 0.736 -2.565 423 H ASP 74 H ASP 74 -0.983 1.041 -6.698 424 HA ASP 74 HA ASP 74 1.468 1.732 -8.077 425 HB2 ASP 74 2HB ASP 74 -1.074 1.217 -9.624 426 HB3 ASP 74 1HB ASP 74 0.456 1.780 -10.286 427 H ILE 75 H ILE 75 1.145 3.821 -9.358 428 HA ILE 75 HA ILE 75 -0.874 5.516 -8.044 429 HB ILE 75 HB ILE 75 0.735 7.370 -8.024 430 HG12 ILE 75 2HG1 ILE 75 3.230 6.290 -8.167 431 HG13 ILE 75 1HG1 ILE 75 2.398 5.356 -9.404 432 HG21 ILE 75 1HG2 ILE 75 0.649 6.439 -5.934 433 HG22 ILE 75 2HG2 ILE 75 2.352 6.176 -6.305 434 HG23 ILE 75 3HG2 ILE 75 1.196 4.861 -6.497 435 HD11 ILE 75 3HD1 ILE 75 1.610 7.617 -10.306 436 HD12 ILE 75 1HD1 ILE 75 3.299 7.169 -10.553 437 HD13 ILE 75 2HD1 ILE 75 2.872 8.307 -9.271 438 H SER 76 H SER 76 -1.429 7.470 -9.235 439 HA SER 76 HA SER 76 -0.856 7.337 -12.113 440 HB2 SER 76 2HB SER 76 -3.613 7.763 -10.944 441 HB3 SER 76 1HB SER 76 -3.195 7.735 -12.654 442 HG SER 76 HG SER 76 -4.050 5.731 -11.841 443 H THR 77 H THR 77 -0.017 9.203 -12.734 444 HA THR 77 HA THR 77 -0.424 11.592 -11.134 445 HB THR 77 HB THR 77 1.139 11.923 -13.589 446 HG1 THR 77 1HG THR 77 2.002 10.004 -11.687 447 HG21 THR 77 3HG2 THR 77 2.837 12.182 -11.445 448 HG22 THR 77 1HG2 THR 77 1.277 12.680 -10.794 449 HG23 THR 77 2HG2 THR 77 1.923 13.478 -12.221 450 HA PRO 78 HA PRO 78 -1.946 13.008 -15.641 451 HB2 PRO 78 2HB PRO 78 -3.039 10.334 -16.382 452 HB3 PRO 78 1HB PRO 78 -2.331 11.586 -17.409 453 HG2 PRO 78 2HG PRO 78 -0.939 9.407 -16.785 454 HG3 PRO 78 1HG PRO 78 -0.161 10.991 -16.866 455 HD2 PRO 78 2HD PRO 78 -0.953 9.385 -14.486 456 HD3 PRO 78 1HD PRO 78 0.447 10.442 -14.710 457 H ILE 79 H ILE 79 -3.420 10.609 -13.557 458 HA ILE 79 HA ILE 79 -6.027 11.927 -13.866 459 HB ILE 79 HB ILE 79 -5.475 9.278 -12.530 460 HG12 ILE 79 2HG1 ILE 79 -6.670 9.635 -15.276 461 HG13 ILE 79 1HG1 ILE 79 -4.931 9.461 -15.043 462 HG21 ILE 79 1HG2 ILE 79 -7.944 8.984 -12.986 463 HG22 ILE 79 2HG2 ILE 79 -7.987 10.702 -13.366 464 HG23 ILE 79 3HG2 ILE 79 -7.521 10.177 -11.758 465 HD11 ILE 79 3HD1 ILE 79 -6.788 7.449 -13.866 466 HD12 ILE 79 1HD1 ILE 79 -5.103 7.271 -14.359 467 HD13 ILE 79 2HD1 ILE 79 -6.374 7.381 -15.576 468 H ASN 80 H ASN 80 -3.451 11.330 -11.644 469 HA ASN 80 HA ASN 80 -3.015 12.148 -9.564 470 HB2 ASN 80 2HB ASN 80 -4.316 14.175 -10.651 471 HB3 ASN 80 1HB ASN 80 -5.564 13.712 -9.497 472 HD21 ASN 80 1HD2 ASN 80 -2.016 13.873 -9.392 473 HD22 ASN 80 2HD2 ASN 80 -1.934 14.855 -7.970 474 H PHE 81 H PHE 81 -4.283 9.689 -9.797 475 HA PHE 81 HA PHE 81 -5.850 9.641 -7.316 476 HB2 PHE 81 2HB PHE 81 -6.587 8.594 -9.991 477 HB3 PHE 81 1HB PHE 81 -6.936 7.543 -8.614 478 HD1 PHE 81 2HD PHE 81 -7.484 10.975 -9.929 479 HD2 PHE 81 1HD PHE 81 -8.825 7.900 -7.305 480 HE1 PHE 81 2HE PHE 81 -9.532 12.257 -9.475 481 HE2 PHE 81 1HE PHE 81 -10.873 9.174 -6.857 482 HZ PHE 81 HZ PHE 81 -11.230 11.358 -7.938 483 H LEU 82 H LEU 82 -5.589 7.789 -6.027 484 HA LEU 82 HA LEU 82 -3.106 6.351 -6.531 485 HB2 LEU 82 2HB LEU 82 -4.842 6.784 -4.131 486 HB3 LEU 82 1HB LEU 82 -3.700 5.458 -4.152 487 HG LEU 82 HG LEU 82 -2.825 7.465 -3.016 488 HD11 LEU 82 1HD1 LEU 82 -1.003 6.313 -3.651 489 HD12 LEU 82 2HD1 LEU 82 -0.787 7.647 -4.778 490 HD13 LEU 82 3HD1 LEU 82 -1.553 6.146 -5.320 491 HD21 LEU 82 3HD2 LEU 82 -2.963 8.712 -5.763 492 HD22 LEU 82 1HD2 LEU 82 -2.232 9.433 -4.332 493 HD23 LEU 82 2HD2 LEU 82 -3.970 9.146 -4.379 494 H CYS 83 H CYS 83 -3.180 4.482 -7.573 495 HA CYS 83 HA CYS 83 -5.623 2.865 -7.414 496 HB2 CYS 83 2HB CYS 83 -4.535 3.641 -9.650 497 HB3 CYS 83 1HB CYS 83 -3.380 2.345 -9.341 498 HG CYS 83 HG CYS 83 -5.130 0.630 -9.822 499 H ILE 84 H ILE 84 -5.601 1.282 -5.987 500 HA ILE 84 HA ILE 84 -3.049 -0.049 -5.370 501 HB ILE 84 HB ILE 84 -5.563 0.233 -3.733 502 HG12 ILE 84 2HG1 ILE 84 -3.664 2.042 -3.940 503 HG13 ILE 84 1HG1 ILE 84 -4.398 1.682 -2.381 504 HG21 ILE 84 1HG2 ILE 84 -3.136 -1.451 -3.165 505 HG22 ILE 84 2HG2 ILE 84 -4.792 -2.012 -3.397 506 HG23 ILE 84 3HG2 ILE 84 -4.377 -1.053 -1.976 507 HD11 ILE 84 3HD1 ILE 84 -2.075 0.039 -3.040 508 HD12 ILE 84 1HD1 ILE 84 -2.497 0.871 -1.546 509 HD13 ILE 84 2HD1 ILE 84 -1.741 1.762 -2.867 510 H PHE 85 H PHE 85 -2.803 -2.163 -5.816 511 HA PHE 85 HA PHE 85 -5.195 -3.724 -6.525 512 HB2 PHE 85 2HB PHE 85 -2.773 -3.180 -8.132 513 HB3 PHE 85 1HB PHE 85 -3.315 -4.856 -8.119 514 HD1 PHE 85 1HD PHE 85 -5.549 -5.440 -8.972 515 HD2 PHE 85 2HD PHE 85 -3.996 -1.490 -9.269 516 HE1 PHE 85 1HE PHE 85 -7.248 -4.907 -10.666 517 HE2 PHE 85 2HE PHE 85 -5.693 -0.951 -10.959 518 HZ PHE 85 HZ PHE 85 -7.322 -2.658 -11.663 519 H ILE 86 H ILE 86 -5.243 -4.821 -4.588 520 HA ILE 86 HA ILE 86 -2.856 -6.312 -3.791 521 HB ILE 86 HB ILE 86 -3.843 -5.101 -1.993 522 HG12 ILE 86 2HG1 ILE 86 -3.078 -7.534 -1.646 523 HG13 ILE 86 1HG1 ILE 86 -4.025 -6.781 -0.371 524 HG21 ILE 86 1HG2 ILE 86 -6.046 -4.710 -2.813 525 HG22 ILE 86 2HG2 ILE 86 -6.180 -5.517 -1.251 526 HG23 ILE 86 3HG2 ILE 86 -6.439 -6.427 -2.736 527 HD11 ILE 86 3HD1 ILE 86 -5.219 -8.661 -0.440 528 HD12 ILE 86 1HD1 ILE 86 -4.618 -9.099 -2.039 529 HD13 ILE 86 2HD1 ILE 86 -5.963 -7.970 -1.881 530 HA PRO 87 HA PRO 87 -4.989 -9.803 -5.707 531 HB2 PRO 87 2HB PRO 87 -2.818 -11.256 -6.282 532 HB3 PRO 87 1HB PRO 87 -3.259 -9.826 -7.222 533 HG2 PRO 87 2HG PRO 87 -1.147 -10.156 -5.149 534 HG3 PRO 87 1HG PRO 87 -1.133 -9.169 -6.619 535 HD2 PRO 87 2HD PRO 87 -1.651 -8.252 -4.027 536 HD3 PRO 87 1HD PRO 87 -2.004 -7.380 -5.528 537 H THR 88 H THR 88 -5.958 -11.294 -4.509 538 HA THR 88 HA THR 88 -4.373 -12.951 -2.712 539 HB THR 88 HB THR 88 -5.168 -11.041 -1.341 540 HG1 THR 88 1HG THR 88 -4.984 -13.278 -0.536 541 HG21 THR 88 3HG2 THR 88 -7.207 -10.335 -2.159 542 HG22 THR 88 1HG2 THR 88 -7.653 -11.210 -0.694 543 HG23 THR 88 2HG2 THR 88 -7.849 -11.973 -2.272 544 H LEU 89 H LEU 89 -6.524 -14.228 -1.427 545 HA LEU 89 HA LEU 89 -7.851 -15.528 -3.714 546 HB2 LEU 89 2HB LEU 89 -6.103 -16.638 -1.852 547 HB3 LEU 89 1HB LEU 89 -7.690 -17.165 -1.324 548 HG LEU 89 HG LEU 89 -6.719 -18.833 -2.777 549 HD11 LEU 89 1HD1 LEU 89 -8.672 -17.688 -4.656 550 HD12 LEU 89 2HD1 LEU 89 -9.228 -17.872 -2.992 551 HD13 LEU 89 3HD1 LEU 89 -8.629 -19.271 -3.882 552 HD21 LEU 89 3HD2 LEU 89 -6.577 -17.966 -5.298 553 HD22 LEU 89 1HD2 LEU 89 -5.198 -17.939 -4.199 554 HD23 LEU 89 2HD2 LEU 89 -6.142 -16.474 -4.466 555 H PHE 90 H PHE 90 -8.221 -14.268 -0.471 556 HA PHE 90 HA PHE 90 -10.046 -13.779 0.791 557 HB2 PHE 90 2HB PHE 90 -11.335 -13.874 -1.934 558 HB3 PHE 90 1HB PHE 90 -12.186 -13.369 -0.480 559 HD1 PHE 90 1HD PHE 90 -10.241 -11.742 0.915 560 HD2 PHE 90 2HD PHE 90 -11.072 -12.003 -3.249 561 HE1 PHE 90 1HE PHE 90 -9.407 -9.447 0.610 562 HE2 PHE 90 2HE PHE 90 -10.239 -9.710 -3.564 563 HZ PHE 90 HZ PHE 90 -9.404 -8.429 -1.632 564 H ASP 91 H ASP 91 -9.297 -16.601 0.245 565 HA ASP 91 HA ASP 91 -11.701 -17.805 1.346 566 HB2 ASP 91 2HB ASP 91 -11.377 -18.017 -1.338 567 HB3 ASP 91 1HB ASP 91 -10.482 -19.437 -0.798 568 H MET 92 H MET 92 -8.808 -17.183 2.049 569 HA MET 92 HA MET 92 -8.207 -19.834 3.149 570 HB2 MET 92 2HB MET 92 -6.557 -18.262 1.311 571 HB3 MET 92 1HB MET 92 -5.703 -18.723 2.784 572 HG2 MET 92 2HG MET 92 -5.294 -20.398 1.160 573 HG3 MET 92 1HG MET 92 -6.397 -21.079 2.355 574 HE1 MET 92 3HE MET 92 -6.905 -20.763 -2.069 575 HE2 MET 92 1HE MET 92 -5.908 -21.901 -1.163 576 HE3 MET 92 2HE MET 92 -5.573 -20.171 -1.076 577 H ASN 93 H ASN 93 -7.217 -16.415 3.227 578 HA ASN 93 HA ASN 93 -6.625 -16.621 6.065 579 HB2 ASN 93 2HB ASN 93 -6.166 -14.561 3.945 580 HB3 ASN 93 1HB ASN 93 -6.160 -14.059 5.633 581 HD21 ASN 93 1HD2 ASN 93 -4.832 -15.638 7.053 582 HD22 ASN 93 2HD2 ASN 93 -3.267 -16.030 6.438 583 H ASN 94 H ASN 94 -9.356 -16.140 4.262 584 HA ASN 94 HA ASN 94 -11.458 -15.439 4.766 585 HB2 ASN 94 2HB ASN 94 -10.591 -16.414 7.096 586 HB3 ASN 94 1HB ASN 94 -10.758 -14.725 7.571 587 HD21 ASN 94 1HD2 ASN 94 -12.272 -16.685 8.739 588 HD22 ASN 94 2HD2 ASN 94 -13.923 -16.499 8.268 589 H MET 95 H MET 95 -10.277 -13.625 3.408 590 HA MET 95 HA MET 95 -9.886 -11.412 2.985 591 HB2 MET 95 2HB MET 95 -11.796 -10.017 3.364 592 HB3 MET 95 1HB MET 95 -12.366 -11.637 2.995 593 HG2 MET 95 2HG MET 95 -12.018 -10.973 5.853 594 HG3 MET 95 1HG MET 95 -13.325 -10.159 4.997 595 HE1 MET 95 3HE MET 95 -15.025 -11.103 3.765 596 HE2 MET 95 1HE MET 95 -15.927 -11.638 5.182 597 HE3 MET 95 2HE MET 95 -15.664 -12.746 3.835 598 H ASP 96 H ASP 96 -8.314 -12.239 5.111 599 HA ASP 96 HA ASP 96 -8.499 -10.155 7.144 600 HB2 ASP 96 2HB ASP 96 -7.989 -12.623 7.645 601 HB3 ASP 96 1HB ASP 96 -6.385 -12.298 6.993 602 H LEU 97 H LEU 97 -8.025 -8.929 4.845 603 HA LEU 97 HA LEU 97 -5.359 -7.868 5.214 604 HB2 LEU 97 2HB LEU 97 -5.295 -9.835 3.535 605 HB3 LEU 97 1HB LEU 97 -6.107 -8.734 2.440 606 HG LEU 97 HG LEU 97 -3.428 -8.204 3.727 607 HD11 LEU 97 1HD1 LEU 97 -3.655 -8.614 0.819 608 HD12 LEU 97 2HD1 LEU 97 -3.857 -10.053 1.819 609 HD13 LEU 97 3HD1 LEU 97 -2.382 -9.094 1.941 610 HD21 LEU 97 3HD2 LEU 97 -5.213 -6.660 1.912 611 HD22 LEU 97 1HD2 LEU 97 -3.466 -6.522 1.710 612 HD23 LEU 97 2HD2 LEU 97 -4.212 -6.103 3.253 613 H LEU 98 H LEU 98 -8.242 -7.847 3.138 614 HA LEU 98 HA LEU 98 -7.983 -5.240 2.167 615 HB2 LEU 98 2HB LEU 98 -10.044 -7.291 2.259 616 HB3 LEU 98 1HB LEU 98 -10.721 -5.678 2.371 617 HG LEU 98 HG LEU 98 -10.591 -6.601 0.051 618 HD11 LEU 98 1HD1 LEU 98 -9.291 -4.036 0.855 619 HD12 LEU 98 2HD1 LEU 98 -10.853 -4.310 0.084 620 HD13 LEU 98 3HD1 LEU 98 -9.366 -4.494 -0.845 621 HD21 LEU 98 3HD2 LEU 98 -7.625 -6.159 0.353 622 HD22 LEU 98 1HD2 LEU 98 -8.481 -6.744 -1.073 623 HD23 LEU 98 2HD2 LEU 98 -8.399 -7.742 0.379 624 H LYS 99 H LYS 99 -9.184 -6.442 5.214 625 HA LYS 99 HA LYS 99 -10.628 -4.209 6.078 626 HB2 LYS 99 2HB LYS 99 -9.032 -6.208 7.686 627 HB3 LYS 99 1HB LYS 99 -10.171 -5.058 8.374 628 HG2 LYS 99 2HG LYS 99 -12.007 -6.102 7.270 629 HG3 LYS 99 1HG LYS 99 -10.925 -7.130 6.328 630 HD2 LYS 99 2HD LYS 99 -10.361 -8.435 8.177 631 HD3 LYS 99 1HD LYS 99 -10.910 -7.213 9.325 632 HE2 LYS 99 2HE LYS 99 -12.858 -8.476 7.442 633 HE3 LYS 99 1HE LYS 99 -12.353 -9.342 8.891 634 HZ1 LYS 99 3HZ LYS 99 -14.033 -6.989 8.629 635 HZ2 LYS 99 1HZ LYS 99 -12.941 -6.965 9.921 636 HZ3 LYS 99 2HZ LYS 99 -14.066 -8.220 9.789 637 H GLN 100 H GLN 100 -7.193 -4.829 5.975 638 HA GLN 100 HA GLN 100 -6.534 -2.554 7.630 639 HB2 GLN 100 2HB GLN 100 -5.164 -4.675 7.502 640 HB3 GLN 100 1HB GLN 100 -4.668 -4.171 5.893 641 HG2 GLN 100 2HG GLN 100 -3.003 -3.625 7.602 642 HG3 GLN 100 1HG GLN 100 -3.627 -2.189 6.791 643 HE21 GLN 100 1HE2 GLN 100 -3.584 -4.028 9.744 644 HE22 GLN 100 2HE2 GLN 100 -4.224 -2.788 10.763 645 H ALA 101 H ALA 101 -6.147 -3.433 4.207 646 HA ALA 101 HA ALA 101 -5.059 -0.994 3.348 647 HB1 ALA 101 1HB ALA 101 -4.790 -2.496 1.686 648 HB2 ALA 101 2HB ALA 101 -6.339 -1.860 1.132 649 HB3 ALA 101 3HB ALA 101 -6.284 -3.350 2.075 650 H LEU 102 H LEU 102 -8.386 -2.067 3.751 651 HA LEU 102 HA LEU 102 -9.550 0.228 2.504 652 HB2 LEU 102 2HB LEU 102 -10.628 -2.000 4.204 653 HB3 LEU 102 1HB LEU 102 -11.638 -0.643 3.742 654 HG LEU 102 HG LEU 102 -10.216 -2.395 1.744 655 HD11 LEU 102 1HD1 LEU 102 -12.712 -3.161 1.426 656 HD12 LEU 102 2HD1 LEU 102 -12.827 -2.723 3.130 657 HD13 LEU 102 3HD1 LEU 102 -11.661 -3.939 2.609 658 HD21 LEU 102 3HD2 LEU 102 -12.663 -0.780 1.209 659 HD22 LEU 102 1HD2 LEU 102 -11.373 -1.272 0.111 660 HD23 LEU 102 2HD2 LEU 102 -11.097 0.029 1.269 661 H LEU 103 H LEU 103 -8.619 -0.638 5.766 662 HA LEU 103 HA LEU 103 -9.997 1.556 7.000 663 HB2 LEU 103 2HB LEU 103 -8.187 -0.614 7.878 664 HB3 LEU 103 1HB LEU 103 -8.194 0.831 8.862 665 HG LEU 103 HG LEU 103 -10.684 -0.717 8.156 666 HD11 LEU 103 1HD1 LEU 103 -9.166 -0.803 10.753 667 HD12 LEU 103 2HD1 LEU 103 -9.032 -2.035 9.498 668 HD13 LEU 103 3HD1 LEU 103 -10.581 -1.752 10.295 669 HD21 LEU 103 3HD2 LEU 103 -11.173 1.549 8.725 670 HD22 LEU 103 1HD2 LEU 103 -10.097 1.490 10.121 671 HD23 LEU 103 2HD2 LEU 103 -11.588 0.545 10.117 672 H ILE 104 H ILE 104 -6.718 0.945 5.867 673 HA ILE 104 HA ILE 104 -5.563 3.263 7.016 674 HB ILE 104 HB ILE 104 -4.186 1.376 6.331 675 HG12 ILE 104 2HG1 ILE 104 -2.828 3.067 4.549 676 HG13 ILE 104 1HG1 ILE 104 -3.701 4.141 5.639 677 HG21 ILE 104 1HG2 ILE 104 -3.745 0.883 4.008 678 HG22 ILE 104 2HG2 ILE 104 -4.834 2.173 3.498 679 HG23 ILE 104 3HG2 ILE 104 -5.473 0.756 4.330 680 HD11 ILE 104 3HD1 ILE 104 -1.287 2.750 6.093 681 HD12 ILE 104 1HD1 ILE 104 -2.498 2.101 7.194 682 HD13 ILE 104 2HD1 ILE 104 -2.154 3.834 7.183 683 H LEU 105 H LEU 105 -6.814 2.580 3.749 684 HA LEU 105 HA LEU 105 -6.181 5.135 2.714 685 HB2 LEU 105 2HB LEU 105 -7.756 4.565 0.887 686 HB3 LEU 105 1HB LEU 105 -6.547 3.331 1.187 687 HG LEU 105 HG LEU 105 -8.437 2.250 2.656 688 HD11 LEU 105 1HD1 LEU 105 -10.387 3.164 0.722 689 HD12 LEU 105 2HD1 LEU 105 -9.799 4.478 1.736 690 HD13 LEU 105 3HD1 LEU 105 -10.503 3.038 2.473 691 HD21 LEU 105 3HD2 LEU 105 -9.220 1.803 -0.085 692 HD22 LEU 105 1HD2 LEU 105 -8.385 0.728 1.035 693 HD23 LEU 105 2HD2 LEU 105 -7.465 1.879 0.068 694 H HIS 106 H HIS 106 -9.134 3.813 4.166 695 HA HIS 106 HA HIS 106 -10.759 6.070 3.722 696 HB2 HIS 106 2HB HIS 106 -10.932 3.587 5.208 697 HB3 HIS 106 1HB HIS 106 -11.634 4.920 6.124 698 HD1 HIS 106 1HD HIS 106 -11.850 4.788 2.380 699 HD2 HIS 106 2HD HIS 106 -14.254 4.101 5.698 700 HE1 HIS 106 1HE HIS 106 -14.184 4.544 1.478 701 HE2 HIS 106 2HE HIS 106 -15.614 4.059 3.500 702 H ASN 107 H ASN 107 -8.942 5.073 6.616 703 HA ASN 107 HA ASN 107 -9.497 7.353 8.148 704 HB2 ASN 107 2HB ASN 107 -7.294 5.307 8.234 705 HB3 ASN 107 1HB ASN 107 -7.332 6.659 9.359 706 HD21 ASN 107 1HD2 ASN 107 -8.735 6.650 11.035 707 HD22 ASN 107 2HD2 ASN 107 -9.787 5.329 11.394 708 H ASP 108 H ASP 108 -7.514 7.006 5.409 709 HA ASP 108 HA ASP 108 -5.634 9.064 6.074 710 HB2 ASP 108 2HB ASP 108 -5.625 7.021 4.259 711 HB3 ASP 108 1HB ASP 108 -5.981 8.403 3.228 712 H LEU 109 H LEU 109 -7.998 8.871 3.407 713 HA LEU 109 HA LEU 109 -8.194 11.792 3.469 714 HB2 LEU 109 2HB LEU 109 -7.864 10.078 1.379 715 HB3 LEU 109 1HB LEU 109 -9.596 10.337 1.341 716 HG LEU 109 HG LEU 109 -8.716 12.886 1.570 717 HD11 LEU 109 1HD1 LEU 109 -6.612 11.325 0.108 718 HD12 LEU 109 2HD1 LEU 109 -6.404 12.490 1.415 719 HD13 LEU 109 3HD1 LEU 109 -6.886 13.036 -0.185 720 HD21 LEU 109 3HD2 LEU 109 -8.785 12.589 -1.135 721 HD22 LEU 109 1HD2 LEU 109 -10.204 12.726 -0.105 722 HD23 LEU 109 2HD2 LEU 109 -9.622 11.137 -0.598 723 H HIS 110 H HIS 110 -10.321 8.940 3.317 724 HA HIS 110 HA HIS 110 -12.750 10.319 3.479 725 HB2 HIS 110 2HB HIS 110 -11.947 7.525 4.252 726 HB3 HIS 110 1HB HIS 110 -13.591 8.096 4.471 727 HD1 HIS 110 1HD HIS 110 -14.812 8.926 2.205 728 HD2 HIS 110 2HD HIS 110 -11.381 6.617 1.740 729 HE1 HIS 110 1HE HIS 110 -14.871 8.088 -0.166 730 HE2 HIS 110 2HE HIS 110 -12.836 6.628 -0.399 731 H GLU 111 H GLU 111 -10.364 9.852 5.889 732 HA GLU 111 HA GLU 111 -11.799 9.720 8.246 733 HB2 GLU 111 2HB GLU 111 -9.162 10.145 7.559 734 HB3 GLU 111 1HB GLU 111 -9.592 11.635 8.389 735 HG2 GLU 111 2HG GLU 111 -10.507 10.141 10.237 736 HG3 GLU 111 1HG GLU 111 -9.636 8.826 9.440 737 H TYR 112 H TYR 112 -10.583 12.764 6.838 738 HA TYR 112 HA TYR 112 -13.002 14.164 7.005 739 HB2 TYR 112 2HB TYR 112 -11.702 13.849 9.525 740 HB3 TYR 112 1HB TYR 112 -11.587 15.550 9.055 741 HD1 TYR 112 1HD TYR 112 -13.969 16.351 7.911 742 HD2 TYR 112 2HD TYR 112 -13.460 13.386 10.918 743 HE1 TYR 112 1HE TYR 112 -16.285 16.711 8.652 744 HE2 TYR 112 2HE TYR 112 -15.777 13.739 11.669 745 HH TYR 112 HH TYR 112 -17.629 16.387 10.739 746 H VAL 113 H VAL 113 -9.675 15.024 7.958 747 HA VAL 113 HA VAL 113 -8.319 16.713 7.237 748 HB VAL 113 HB VAL 113 -7.908 14.907 5.589 749 HG11 VAL 113 1HG1 VAL 113 -8.850 15.219 3.298 750 HG12 VAL 113 2HG1 VAL 113 -9.984 16.386 3.985 751 HG13 VAL 113 3HG1 VAL 113 -10.015 14.706 4.509 752 HG21 VAL 113 3HG2 VAL 113 -6.319 16.317 4.949 753 HG22 VAL 113 1HG2 VAL 113 -7.339 17.711 5.280 754 HG23 VAL 113 2HG2 VAL 113 -7.412 16.914 3.705 755 H GLU 114 H GLU 114 -11.021 17.578 7.679 756 HA GLU 114 HA GLU 114 -11.064 19.863 5.845 757 HB2 GLU 114 2HB GLU 114 -13.034 17.837 6.016 758 HB3 GLU 114 1HB GLU 114 -13.733 19.294 6.708 759 HG2 GLU 114 2HG GLU 114 -13.490 20.490 4.722 760 HG3 GLU 114 1HG GLU 114 -12.343 19.330 4.061 Start of MODEL 3 1 H THR 26 H THR 26 -13.244 -13.558 -8.561 2 HA THR 26 HA THR 26 -11.583 -12.672 -6.306 3 HB THR 26 HB THR 26 -11.110 -14.959 -5.856 4 HG1 THR 26 1HG THR 26 -12.437 -15.649 -8.262 5 HG21 THR 26 3HG2 THR 26 -13.882 -15.457 -6.698 6 HG22 THR 26 1HG2 THR 26 -13.630 -14.072 -5.635 7 HG23 THR 26 2HG2 THR 26 -13.107 -15.680 -5.130 8 H SER 27 H SER 27 -9.408 -14.365 -6.692 9 HA SER 27 HA SER 27 -7.432 -14.591 -7.804 10 HB2 SER 27 2HB SER 27 -9.042 -15.109 -9.766 11 HB3 SER 27 1HB SER 27 -8.678 -13.471 -10.305 12 H LYS 28 H LYS 28 -8.947 -11.738 -9.318 13 HA LYS 28 HA LYS 28 -6.635 -10.160 -8.401 14 HB2 LYS 28 2HB LYS 28 -8.363 -9.759 -10.849 15 HB3 LYS 28 1HB LYS 28 -7.082 -8.671 -10.335 16 HG2 LYS 28 2HG LYS 28 -5.431 -10.051 -11.041 17 HG3 LYS 28 1HG LYS 28 -6.357 -11.515 -10.699 18 HD2 LYS 28 2HD LYS 28 -7.270 -9.709 -12.889 19 HD3 LYS 28 1HD LYS 28 -5.878 -10.756 -13.174 20 HE2 LYS 28 2HE LYS 28 -7.413 -12.282 -13.760 21 HE3 LYS 28 1HE LYS 28 -7.632 -12.488 -12.023 22 HZ1 LYS 28 3HZ LYS 28 -9.171 -10.357 -13.266 23 HZ2 LYS 28 1HZ LYS 28 -9.620 -11.459 -12.062 24 HZ3 LYS 28 2HZ LYS 28 -9.620 -11.933 -13.686 25 H GLN 29 H GLN 29 -7.040 -8.603 -6.977 26 HA GLN 29 HA GLN 29 -9.753 -7.470 -6.871 27 HB2 GLN 29 2HB GLN 29 -8.926 -9.167 -4.985 28 HB3 GLN 29 1HB GLN 29 -8.192 -7.697 -4.344 29 HG2 GLN 29 2HG GLN 29 -10.172 -7.513 -3.301 30 HG3 GLN 29 1HG GLN 29 -10.662 -6.784 -4.829 31 HE21 GLN 29 1HE2 GLN 29 -12.603 -7.772 -3.312 32 HE22 GLN 29 2HE2 GLN 29 -13.217 -9.253 -3.955 33 H GLU 30 H GLU 30 -9.919 -5.310 -6.499 34 HA GLU 30 HA GLU 30 -7.439 -3.810 -6.060 35 HB2 GLU 30 2HB GLU 30 -7.800 -2.369 -7.882 36 HB3 GLU 30 1HB GLU 30 -8.092 -3.982 -8.515 37 HG2 GLU 30 2HG GLU 30 -10.561 -3.525 -8.036 38 HG3 GLU 30 1HG GLU 30 -10.081 -1.837 -7.875 39 H LEU 31 H LEU 31 -7.627 -2.052 -4.781 40 HA LEU 31 HA LEU 31 -10.309 -1.461 -3.730 41 HB2 LEU 31 2HB LEU 31 -8.151 -2.259 -2.327 42 HB3 LEU 31 1HB LEU 31 -7.908 -0.523 -2.274 43 HG LEU 31 HG LEU 31 -10.543 -0.722 -1.573 44 HD11 LEU 31 1HD1 LEU 31 -9.189 -3.263 -0.903 45 HD12 LEU 31 2HD1 LEU 31 -10.894 -2.927 -1.204 46 HD13 LEU 31 3HD1 LEU 31 -10.180 -2.529 0.358 47 HD21 LEU 31 3HD2 LEU 31 -9.405 0.676 -0.214 48 HD22 LEU 31 1HD2 LEU 31 -7.979 -0.361 -0.159 49 HD23 LEU 31 2HD2 LEU 31 -9.378 -0.731 0.848 50 H ILE 32 H ILE 32 -11.159 0.490 -4.046 51 HA ILE 32 HA ILE 32 -9.794 2.424 -5.645 52 HB ILE 32 HB ILE 32 -11.816 3.804 -5.354 53 HG12 ILE 32 2HG1 ILE 32 -13.697 2.242 -4.157 54 HG13 ILE 32 1HG1 ILE 32 -12.283 1.864 -3.177 55 HG21 ILE 32 1HG2 ILE 32 -12.138 2.470 -7.166 56 HG22 ILE 32 2HG2 ILE 32 -13.442 1.859 -6.147 57 HG23 ILE 32 3HG2 ILE 32 -11.917 0.980 -6.248 58 HD11 ILE 32 3HD1 ILE 32 -12.761 3.682 -2.008 59 HD12 ILE 32 1HD1 ILE 32 -13.937 4.228 -3.202 60 HD13 ILE 32 2HD1 ILE 32 -12.229 4.620 -3.404 61 H LEU 33 H LEU 33 -8.649 4.157 -5.035 62 HA LEU 33 HA LEU 33 -8.907 5.135 -2.285 63 HB2 LEU 33 2HB LEU 33 -6.233 4.709 -3.605 64 HB3 LEU 33 1HB LEU 33 -6.543 5.179 -1.938 65 HG LEU 33 HG LEU 33 -7.287 2.501 -3.116 66 HD11 LEU 33 1HD1 LEU 33 -4.819 3.477 -1.762 67 HD12 LEU 33 2HD1 LEU 33 -4.998 2.359 -3.114 68 HD13 LEU 33 3HD1 LEU 33 -5.368 1.825 -1.474 69 HD21 LEU 33 3HD2 LEU 33 -6.965 2.661 -0.248 70 HD22 LEU 33 1HD2 LEU 33 -8.327 2.067 -1.199 71 HD23 LEU 33 2HD2 LEU 33 -8.197 3.785 -0.823 72 H VAL 34 H VAL 34 -8.896 7.302 -2.110 73 HA VAL 34 HA VAL 34 -7.640 8.968 -4.107 74 HB VAL 34 HB VAL 34 -10.625 9.213 -3.705 75 HG11 VAL 34 1HG1 VAL 34 -10.561 11.107 -4.916 76 HG12 VAL 34 2HG1 VAL 34 -9.300 10.501 -5.990 77 HG13 VAL 34 3HG1 VAL 34 -8.873 11.155 -4.409 78 HG21 VAL 34 3HG2 VAL 34 -10.774 8.480 -6.083 79 HG22 VAL 34 1HG2 VAL 34 -10.234 7.219 -4.975 80 HG23 VAL 34 2HG2 VAL 34 -9.067 8.047 -6.007 81 H LEU 35 H LEU 35 -6.743 10.576 -3.092 82 HA LEU 35 HA LEU 35 -7.787 11.404 -0.477 83 HB2 LEU 35 2HB LEU 35 -5.248 10.691 -1.276 84 HB3 LEU 35 1HB LEU 35 -5.180 12.446 -1.308 85 HG LEU 35 HG LEU 35 -6.095 12.383 1.071 86 HD11 LEU 35 1HD1 LEU 35 -6.935 10.274 1.418 87 HD12 LEU 35 2HD1 LEU 35 -5.354 10.158 2.192 88 HD13 LEU 35 3HD1 LEU 35 -5.597 9.486 0.580 89 HD21 LEU 35 3HD2 LEU 35 -3.554 11.104 1.444 90 HD22 LEU 35 1HD2 LEU 35 -3.984 12.802 1.618 91 HD23 LEU 35 2HD2 LEU 35 -3.489 12.173 0.046 92 H LYS 36 H LYS 36 -7.624 13.719 0.055 93 HA LYS 36 HA LYS 36 -8.323 15.353 -2.286 94 HB2 LYS 36 2HB LYS 36 -9.900 14.975 -0.227 95 HB3 LYS 36 1HB LYS 36 -8.885 16.189 0.533 96 HG2 LYS 36 2HG LYS 36 -10.179 17.730 -0.392 97 HG3 LYS 36 1HG LYS 36 -9.519 17.256 -1.958 98 HD2 LYS 36 2HD LYS 36 -11.307 15.530 -2.112 99 HD3 LYS 36 1HD LYS 36 -12.003 16.185 -0.628 100 HE2 LYS 36 2HE LYS 36 -11.851 18.443 -2.002 101 HE3 LYS 36 1HE LYS 36 -11.927 17.330 -3.368 102 HZ1 LYS 36 3HZ LYS 36 -13.869 16.899 -1.245 103 HZ2 LYS 36 1HZ LYS 36 -14.047 16.780 -2.919 104 HZ3 LYS 36 2HZ LYS 36 -14.072 18.300 -2.167 105 H GLY 37 H GLY 37 -7.580 17.555 -2.378 106 HA2 GLY 37 2HA GLY 37 -6.023 19.061 -0.863 107 HA3 GLY 37 1HA GLY 37 -4.871 17.809 -1.311 108 H GLU 38 H GLU 38 -4.309 20.377 -1.961 109 HA GLU 38 HA GLU 38 -4.991 20.628 -4.809 110 HB2 GLU 38 2HB GLU 38 -5.191 22.518 -2.913 111 HB3 GLU 38 1HB GLU 38 -3.525 22.796 -3.406 112 HG2 GLU 38 2HG GLU 38 -5.701 22.626 -5.444 113 HG3 GLU 38 1HG GLU 38 -5.421 24.115 -4.550 114 H LEU 39 H LEU 39 -2.207 21.042 -2.618 115 HA LEU 39 HA LEU 39 -0.474 20.091 -4.800 116 HB2 LEU 39 2HB LEU 39 -0.435 22.622 -3.512 117 HB3 LEU 39 1HB LEU 39 1.005 21.757 -3.013 118 HG LEU 39 HG LEU 39 0.447 21.680 -5.906 119 HD11 LEU 39 1HD1 LEU 39 0.847 24.229 -4.421 120 HD12 LEU 39 2HD1 LEU 39 -0.133 23.898 -5.848 121 HD13 LEU 39 3HD1 LEU 39 1.621 24.019 -5.991 122 HD21 LEU 39 3HD2 LEU 39 2.675 21.401 -6.041 123 HD22 LEU 39 1HD2 LEU 39 2.540 21.019 -4.325 124 HD23 LEU 39 2HD2 LEU 39 3.012 22.643 -4.836 125 H ASP 40 H ASP 40 0.311 18.174 -4.258 126 HA ASP 40 HA ASP 40 1.093 17.715 -1.454 127 HB2 ASP 40 2HB ASP 40 -0.931 16.407 -2.500 128 HB3 ASP 40 1HB ASP 40 0.338 15.441 -3.252 129 H LEU 41 H LEU 41 1.678 16.574 -4.778 130 HA LEU 41 HA LEU 41 3.579 15.974 -5.870 131 HB2 LEU 41 2HB LEU 41 4.502 17.913 -3.850 132 HB3 LEU 41 1HB LEU 41 5.748 16.846 -4.471 133 HG LEU 41 HG LEU 41 5.149 17.557 -6.781 134 HD11 LEU 41 1HD1 LEU 41 3.366 19.498 -5.314 135 HD12 LEU 41 2HD1 LEU 41 2.863 18.234 -6.440 136 HD13 LEU 41 3HD1 LEU 41 3.795 19.612 -7.020 137 HD21 LEU 41 3HD2 LEU 41 6.821 18.714 -5.063 138 HD22 LEU 41 1HD2 LEU 41 5.731 20.075 -5.330 139 HD23 LEU 41 2HD2 LEU 41 6.565 19.331 -6.695 140 H HIS 42 H HIS 42 4.958 15.917 -2.603 141 HA HIS 42 HA HIS 42 5.986 13.279 -2.979 142 HB2 HIS 42 2HB HIS 42 5.951 15.238 -0.707 143 HB3 HIS 42 1HB HIS 42 6.440 13.579 -0.414 144 HD1 HIS 42 1HD HIS 42 8.800 12.975 -0.982 145 HD2 HIS 42 2HD HIS 42 7.652 16.609 -2.629 146 HE1 HIS 42 1HE HIS 42 10.894 13.951 -1.965 147 HE2 HIS 42 2HE HIS 42 10.193 16.196 -2.882 148 H SER 43 H SER 43 3.925 12.243 -3.488 149 HA SER 43 HA SER 43 1.800 12.002 -1.690 150 HB2 SER 43 2HB SER 43 2.575 9.721 -3.476 151 HB3 SER 43 1HB SER 43 0.969 10.346 -3.099 152 HG SER 43 HG SER 43 1.290 12.018 -4.475 153 H LYS 44 H LYS 44 1.972 11.335 0.347 154 HA LYS 44 HA LYS 44 3.993 9.445 1.157 155 HB2 LYS 44 2HB LYS 44 2.022 11.191 2.519 156 HB3 LYS 44 1HB LYS 44 2.520 9.744 3.382 157 HG2 LYS 44 2HG LYS 44 4.693 11.352 2.209 158 HG3 LYS 44 1HG LYS 44 3.805 12.095 3.541 159 HD2 LYS 44 2HD LYS 44 4.414 10.423 5.042 160 HD3 LYS 44 1HD LYS 44 4.806 9.277 3.756 161 HE2 LYS 44 2HE LYS 44 6.706 10.788 3.124 162 HE3 LYS 44 1HE LYS 44 6.368 11.721 4.584 163 HZ1 LYS 44 3HZ LYS 44 8.084 9.700 4.506 164 HZ2 LYS 44 1HZ LYS 44 6.683 8.848 4.938 165 HZ3 LYS 44 2HZ LYS 44 7.231 10.129 5.902 166 H ASN 45 H ASN 45 0.755 9.286 0.089 167 HA ASN 45 HA ASN 45 -0.306 7.156 1.504 168 HB2 ASN 45 2HB ASN 45 -0.667 7.691 -1.452 169 HB3 ASN 45 1HB ASN 45 -1.757 6.779 -0.412 170 HD21 ASN 45 1HD2 ASN 45 -3.546 7.945 -0.301 171 HD22 ASN 45 2HD2 ASN 45 -3.632 9.617 0.124 172 H MET 46 H MET 46 1.922 7.131 -1.234 173 HA MET 46 HA MET 46 1.865 4.395 -1.798 174 HB2 MET 46 2HB MET 46 4.259 4.819 -2.633 175 HB3 MET 46 1HB MET 46 2.949 5.727 -3.389 176 HG2 MET 46 2HG MET 46 3.834 7.666 -2.784 177 HG3 MET 46 1HG MET 46 4.025 7.140 -1.113 178 HE1 MET 46 3HE MET 46 6.217 7.410 -0.094 179 HE2 MET 46 1HE MET 46 7.643 6.544 -0.669 180 HE3 MET 46 2HE MET 46 6.165 5.658 -0.293 181 H LYS 47 H LYS 47 3.705 6.216 0.592 182 HA LYS 47 HA LYS 47 5.309 4.002 1.414 183 HB2 LYS 47 2HB LYS 47 5.973 6.376 1.731 184 HB3 LYS 47 1HB LYS 47 4.685 6.551 2.915 185 HG2 LYS 47 2HG LYS 47 6.458 4.308 3.473 186 HG3 LYS 47 1HG LYS 47 7.284 5.867 3.451 187 HD2 LYS 47 2HD LYS 47 5.842 6.747 5.126 188 HD3 LYS 47 1HD LYS 47 4.751 5.365 5.002 189 HE2 LYS 47 2HE LYS 47 6.212 5.289 7.001 190 HE3 LYS 47 1HE LYS 47 6.413 3.901 5.933 191 HZ1 LYS 47 3HZ LYS 47 8.186 6.255 5.736 192 HZ2 LYS 47 1HZ LYS 47 8.456 4.679 5.183 193 HZ3 LYS 47 2HZ LYS 47 8.499 5.013 6.841 194 H ASN 48 H ASN 48 2.127 5.114 2.152 195 HA ASN 48 HA ASN 48 1.885 3.819 4.689 196 HB2 ASN 48 2HB ASN 48 0.340 5.608 3.147 197 HB3 ASN 48 1HB ASN 48 -0.657 4.176 3.384 198 HD21 ASN 48 1HD2 ASN 48 1.743 5.791 5.432 199 HD22 ASN 48 2HD2 ASN 48 0.686 6.031 6.776 200 H VAL 49 H VAL 49 1.120 2.962 1.354 201 HA VAL 49 HA VAL 49 -0.226 0.530 2.011 202 HB VAL 49 HB VAL 49 1.095 1.154 -0.627 203 HG11 VAL 49 1HG1 VAL 49 0.375 -1.045 -0.710 204 HG12 VAL 49 2HG1 VAL 49 -1.005 -0.171 -1.369 205 HG13 VAL 49 3HG1 VAL 49 -1.037 -0.731 0.301 206 HG21 VAL 49 3HG2 VAL 49 -0.384 2.754 -1.082 207 HG22 VAL 49 1HG2 VAL 49 -0.841 2.731 0.621 208 HG23 VAL 49 2HG2 VAL 49 -1.728 1.749 -0.542 209 H ILE 50 H ILE 50 3.043 1.299 0.841 210 HA ILE 50 HA ILE 50 4.009 -1.315 0.676 211 HB ILE 50 HB ILE 50 5.170 0.702 -0.212 212 HG12 ILE 50 2HG1 ILE 50 6.265 -1.566 0.175 213 HG13 ILE 50 1HG1 ILE 50 7.351 -0.192 0.006 214 HG21 ILE 50 1HG2 ILE 50 6.061 1.122 2.635 215 HG22 ILE 50 2HG2 ILE 50 4.880 2.115 1.783 216 HG23 ILE 50 3HG2 ILE 50 6.551 2.062 1.224 217 HD11 ILE 50 3HD1 ILE 50 7.083 -2.055 2.167 218 HD12 ILE 50 1HD1 ILE 50 6.836 -0.407 2.745 219 HD13 ILE 50 2HD1 ILE 50 8.318 -0.828 1.887 220 H ASN 51 H ASN 51 3.615 0.829 3.408 221 HA ASN 51 HA ASN 51 5.163 -0.756 5.226 222 HB2 ASN 51 2HB ASN 51 4.420 1.794 5.315 223 HB3 ASN 51 1HB ASN 51 3.059 1.120 6.206 224 HD21 ASN 51 1HD2 ASN 51 5.084 2.890 7.187 225 HD22 ASN 51 2HD2 ASN 51 5.899 2.066 8.468 226 H ASN 52 H ASN 52 1.704 -0.334 4.568 227 HA ASN 52 HA ASN 52 0.866 -2.176 6.580 228 HB2 ASN 52 2HB ASN 52 -0.488 -0.783 4.295 229 HB3 ASN 52 1HB ASN 52 -1.318 -2.081 5.147 230 HD21 ASN 52 1HD2 ASN 52 -2.203 -1.690 7.092 231 HD22 ASN 52 2HD2 ASN 52 -2.141 -0.166 7.905 232 H ALA 53 H ALA 53 1.009 -2.367 3.028 233 HA ALA 53 HA ALA 53 0.180 -5.011 2.757 234 HB1 ALA 53 1HB ALA 53 2.249 -3.870 0.926 235 HB2 ALA 53 2HB ALA 53 0.631 -3.169 0.975 236 HB3 ALA 53 3HB ALA 53 0.844 -4.867 0.549 237 H LYS 54 H LYS 54 3.255 -3.695 3.722 238 HA LYS 54 HA LYS 54 4.679 -6.183 3.364 239 HB2 LYS 54 2HB LYS 54 5.819 -4.013 3.093 240 HB3 LYS 54 1HB LYS 54 5.514 -3.648 4.785 241 HG2 LYS 54 2HG LYS 54 7.128 -5.066 5.528 242 HG3 LYS 54 1HG LYS 54 6.948 -6.166 4.161 243 HD2 LYS 54 2HD LYS 54 7.849 -3.924 2.920 244 HD3 LYS 54 1HD LYS 54 8.670 -3.806 4.478 245 HE2 LYS 54 2HE LYS 54 9.549 -6.071 4.182 246 HE3 LYS 54 1HE LYS 54 8.727 -6.189 2.627 247 HZ1 LYS 54 3HZ LYS 54 10.254 -4.901 1.622 248 HZ2 LYS 54 1HZ LYS 54 11.250 -5.407 2.893 249 HZ3 LYS 54 2HZ LYS 54 10.484 -3.901 2.966 250 H LYS 55 H LYS 55 3.472 -4.260 6.093 251 HA LYS 55 HA LYS 55 4.393 -5.923 8.149 252 HB2 LYS 55 2HB LYS 55 3.109 -3.543 8.074 253 HB3 LYS 55 1HB LYS 55 1.782 -4.589 8.558 254 HG2 LYS 55 2HG LYS 55 3.092 -5.379 10.461 255 HG3 LYS 55 1HG LYS 55 4.429 -4.336 9.972 256 HD2 LYS 55 2HD LYS 55 2.737 -2.416 10.129 257 HD3 LYS 55 1HD LYS 55 1.727 -3.555 11.010 258 HE2 LYS 55 2HE LYS 55 4.517 -3.401 11.920 259 HE3 LYS 55 1HE LYS 55 3.578 -1.928 12.147 260 HZ1 LYS 55 3HZ LYS 55 2.069 -3.022 13.518 261 HZ2 LYS 55 1HZ LYS 55 3.561 -3.655 14.002 262 HZ3 LYS 55 2HZ LYS 55 2.541 -4.561 13.006 263 H ASN 56 H ASN 56 1.513 -6.062 6.149 264 HA ASN 56 HA ASN 56 0.233 -8.126 7.658 265 HB2 ASN 56 2HB ASN 56 -0.218 -7.103 4.845 266 HB3 ASN 56 1HB ASN 56 -1.236 -8.315 5.628 267 HD21 ASN 56 1HD2 ASN 56 -1.310 -5.282 4.770 268 HD22 ASN 56 2HD2 ASN 56 -2.187 -4.567 6.075 269 H LEU 57 H LEU 57 2.040 -8.058 4.594 270 HA LEU 57 HA LEU 57 1.888 -10.709 3.878 271 HB2 LEU 57 2HB LEU 57 3.437 -8.463 3.148 272 HB3 LEU 57 1HB LEU 57 4.567 -9.780 3.418 273 HG LEU 57 HG LEU 57 4.045 -9.842 1.123 274 HD11 LEU 57 1HD1 LEU 57 3.356 -11.946 2.820 275 HD12 LEU 57 2HD1 LEU 57 3.749 -12.037 1.103 276 HD13 LEU 57 3HD1 LEU 57 2.070 -11.870 1.615 277 HD21 LEU 57 3HD2 LEU 57 1.884 -9.654 0.179 278 HD22 LEU 57 1HD2 LEU 57 2.004 -8.374 1.387 279 HD23 LEU 57 2HD2 LEU 57 1.101 -9.846 1.748 280 H GLU 58 H GLU 58 4.447 -9.225 5.869 281 HA GLU 58 HA GLU 58 5.744 -11.644 6.493 282 HB2 GLU 58 2HB GLU 58 5.720 -8.948 7.842 283 HB3 GLU 58 1HB GLU 58 6.697 -10.285 8.431 284 HG2 GLU 58 2HG GLU 58 6.895 -9.343 5.597 285 HG3 GLU 58 1HG GLU 58 7.793 -8.559 6.896 286 H LYS 59 H LYS 59 3.000 -10.013 7.894 287 HA LYS 59 HA LYS 59 2.900 -11.219 10.397 288 HB2 LYS 59 2HB LYS 59 1.418 -9.364 9.460 289 HB3 LYS 59 1HB LYS 59 0.463 -10.640 8.720 290 HG2 LYS 59 2HG LYS 59 -0.204 -11.506 10.791 291 HG3 LYS 59 1HG LYS 59 1.022 -10.587 11.667 292 HD2 LYS 59 2HD LYS 59 -0.843 -8.959 10.085 293 HD3 LYS 59 1HD LYS 59 -1.582 -9.847 11.423 294 HE2 LYS 59 2HE LYS 59 -0.945 -7.767 12.324 295 HE3 LYS 59 1HE LYS 59 0.273 -8.914 12.879 296 HZ1 LYS 59 3HZ LYS 59 0.709 -7.355 10.421 297 HZ2 LYS 59 1HZ LYS 59 1.851 -8.058 11.452 298 HZ3 LYS 59 2HZ LYS 59 1.020 -6.663 11.932 299 H TYR 60 H TYR 60 1.864 -12.406 7.251 300 HA TYR 60 HA TYR 60 0.656 -14.789 8.319 301 HB2 TYR 60 2HB TYR 60 1.504 -14.479 5.452 302 HB3 TYR 60 1HB TYR 60 0.123 -15.358 6.112 303 HD1 TYR 60 1HD TYR 60 -1.682 -13.854 7.302 304 HD2 TYR 60 2HD TYR 60 1.149 -12.424 4.467 305 HE1 TYR 60 1HE TYR 60 -3.133 -11.924 6.835 306 HE2 TYR 60 2HE TYR 60 -0.295 -10.489 3.993 307 HH TYR 60 HH TYR 60 -2.579 -9.804 4.186 308 H PHE 61 H PHE 61 3.655 -14.002 6.600 309 HA PHE 61 HA PHE 61 4.677 -16.631 6.533 310 HB2 PHE 61 2HB PHE 61 5.425 -14.402 5.310 311 HB3 PHE 61 1HB PHE 61 6.528 -14.289 6.683 312 HD1 PHE 61 1HD PHE 61 5.403 -16.714 4.084 313 HD2 PHE 61 2HD PHE 61 8.581 -15.316 6.545 314 HE1 PHE 61 1HE PHE 61 6.948 -18.263 2.961 315 HE2 PHE 61 2HE PHE 61 10.133 -16.863 5.425 316 HZ PHE 61 HZ PHE 61 9.318 -18.339 3.630 317 H LYS 62 H LYS 62 4.536 -14.247 9.028 318 HA LYS 62 HA LYS 62 6.595 -15.522 10.627 319 HB2 LYS 62 2HB LYS 62 6.016 -12.977 10.495 320 HB3 LYS 62 1HB LYS 62 4.764 -13.387 11.653 321 HG2 LYS 62 2HG LYS 62 6.294 -13.958 13.295 322 HG3 LYS 62 1HG LYS 62 7.598 -14.194 12.142 323 HD2 LYS 62 2HD LYS 62 6.962 -11.567 11.748 324 HD3 LYS 62 1HD LYS 62 6.684 -11.754 13.476 325 HE2 LYS 62 2HE LYS 62 9.214 -12.366 11.966 326 HE3 LYS 62 1HE LYS 62 8.958 -11.065 13.128 327 HZ1 LYS 62 3HZ LYS 62 10.093 -12.754 14.273 328 HZ2 LYS 62 1HZ LYS 62 9.096 -13.976 13.656 329 HZ3 LYS 62 2HZ LYS 62 8.490 -12.878 14.785 330 H GLU 63 H GLU 63 3.180 -15.663 10.222 331 HA GLU 63 HA GLU 63 2.796 -16.931 12.821 332 HB2 GLU 63 2HB GLU 63 1.140 -15.423 11.001 333 HB3 GLU 63 1HB GLU 63 0.371 -16.955 11.409 334 HG2 GLU 63 2HG GLU 63 0.349 -16.447 13.708 335 HG3 GLU 63 1HG GLU 63 1.479 -15.109 13.504 336 H HIS 64 H HIS 64 2.428 -17.690 9.363 337 HA HIS 64 HA HIS 64 2.203 -20.521 10.143 338 HB2 HIS 64 2HB HIS 64 0.672 -18.913 8.209 339 HB3 HIS 64 1HB HIS 64 1.159 -20.505 7.636 340 HD1 HIS 64 1HD HIS 64 -0.036 -19.524 11.107 341 HD2 HIS 64 2HD HIS 64 -1.115 -21.954 7.910 342 HE1 HIS 64 1HE HIS 64 -2.029 -20.830 11.900 343 HE2 HIS 64 2HE HIS 64 -2.636 -22.335 9.975 344 H PHE 65 H PHE 65 4.456 -18.566 9.120 345 HA PHE 65 HA PHE 65 6.386 -18.775 7.920 346 HB2 PHE 65 2HB PHE 65 6.075 -21.103 9.208 347 HB3 PHE 65 1HB PHE 65 6.023 -21.698 7.546 348 HD1 PHE 65 2HD PHE 65 8.080 -19.900 10.024 349 HD2 PHE 65 1HD PHE 65 7.978 -21.807 6.222 350 HE1 PHE 65 2HE PHE 65 10.538 -19.840 9.934 351 HE2 PHE 65 1HE PHE 65 10.436 -21.753 6.124 352 HZ PHE 65 HZ PHE 65 11.719 -20.767 7.981 353 H LYS 66 H LYS 66 3.599 -18.800 6.540 354 HA LYS 66 HA LYS 66 4.252 -18.326 3.972 355 HB2 LYS 66 2HB LYS 66 3.624 -20.521 2.817 356 HB3 LYS 66 1HB LYS 66 5.226 -20.428 3.533 357 HG2 LYS 66 2HG LYS 66 3.791 -21.449 5.596 358 HG3 LYS 66 1HG LYS 66 2.945 -22.139 4.212 359 HD2 LYS 66 2HD LYS 66 5.668 -22.416 3.632 360 HD3 LYS 66 1HD LYS 66 5.507 -22.844 5.337 361 HE2 LYS 66 2HE LYS 66 3.538 -24.301 4.588 362 HE3 LYS 66 1HE LYS 66 4.164 -24.083 2.954 363 HZ1 LYS 66 3HZ LYS 66 5.149 -26.038 3.675 364 HZ2 LYS 66 1HZ LYS 66 5.423 -25.458 5.241 365 HZ3 LYS 66 2HZ LYS 66 6.360 -24.889 3.954 366 H GLU 67 H GLU 67 2.446 -17.926 2.681 367 HA GLU 67 HA GLU 67 -0.143 -18.946 3.393 368 HB2 GLU 67 2HB GLU 67 0.497 -16.944 4.980 369 HB3 GLU 67 1HB GLU 67 0.053 -15.971 3.586 370 HG2 GLU 67 2HG GLU 67 -2.035 -16.077 4.311 371 HG3 GLU 67 1HG GLU 67 -2.029 -17.772 3.826 372 H PHE 68 H PHE 68 -1.812 -18.297 1.912 373 HA PHE 68 HA PHE 68 -0.711 -17.540 -0.694 374 HB2 PHE 68 2HB PHE 68 -3.164 -19.039 0.177 375 HB3 PHE 68 1HB PHE 68 -3.074 -18.339 -1.437 376 HD1 PHE 68 1HD PHE 68 -1.007 -20.444 0.848 377 HD2 PHE 68 2HD PHE 68 -2.304 -19.674 -3.132 378 HE1 PHE 68 1HE PHE 68 0.233 -22.420 0.065 379 HE2 PHE 68 2HE PHE 68 -1.068 -21.649 -3.921 380 HZ PHE 68 HZ PHE 68 0.203 -23.025 -2.322 381 H ASP 69 H ASP 69 -0.596 -15.275 -0.176 382 HA ASP 69 HA ASP 69 -2.887 -13.836 -1.026 383 HB2 ASP 69 2HB ASP 69 -3.072 -12.460 1.123 384 HB3 ASP 69 1HB ASP 69 -3.781 -14.071 1.148 385 H LYS 70 H LYS 70 -2.011 -12.309 -2.238 386 HA LYS 70 HA LYS 70 0.442 -10.982 -1.283 387 HB2 LYS 70 2HB LYS 70 -0.288 -11.344 -4.186 388 HB3 LYS 70 1HB LYS 70 1.252 -10.823 -3.517 389 HG2 LYS 70 2HG LYS 70 1.941 -12.926 -3.108 390 HG3 LYS 70 1HG LYS 70 0.326 -13.487 -2.669 391 HD2 LYS 70 2HD LYS 70 -0.276 -13.406 -5.092 392 HD3 LYS 70 1HD LYS 70 1.414 -13.042 -5.446 393 HE2 LYS 70 2HE LYS 70 1.998 -15.167 -4.214 394 HE3 LYS 70 1HE LYS 70 0.275 -15.541 -4.212 395 HZ1 LYS 70 3HZ LYS 70 1.840 -15.007 -6.676 396 HZ2 LYS 70 1HZ LYS 70 0.256 -15.597 -6.575 397 HZ3 LYS 70 2HZ LYS 70 1.551 -16.557 -6.066 398 H ILE 71 H ILE 71 0.702 -8.749 -1.915 399 HA ILE 71 HA ILE 71 -1.777 -7.422 -2.754 400 HB ILE 71 HB ILE 71 -0.095 -6.448 -0.447 401 HG12 ILE 71 2HG1 ILE 71 -2.654 -7.028 0.469 402 HG13 ILE 71 1HG1 ILE 71 -2.268 -8.380 -0.590 403 HG21 ILE 71 1HG2 ILE 71 -1.276 -4.731 -1.822 404 HG22 ILE 71 2HG2 ILE 71 -1.798 -4.792 -0.137 405 HG23 ILE 71 3HG2 ILE 71 -2.798 -5.514 -1.398 406 HD11 ILE 71 3HD1 ILE 71 0.007 -7.907 1.001 407 HD12 ILE 71 1HD1 ILE 71 -1.094 -9.284 1.046 408 HD13 ILE 71 2HD1 ILE 71 -1.395 -7.881 2.070 409 H SER 72 H SER 72 -1.543 -5.593 -3.933 410 HA SER 72 HA SER 72 1.158 -4.577 -4.427 411 HB2 SER 72 2HB SER 72 -0.006 -6.315 -6.176 412 HB3 SER 72 1HB SER 72 -0.540 -4.766 -6.829 413 HG SER 72 HG SER 72 1.376 -4.693 -7.680 414 H TYR 73 H TYR 73 1.248 -2.419 -5.104 415 HA TYR 73 HA TYR 73 -1.281 -0.953 -5.236 416 HB2 TYR 73 2HB TYR 73 -0.577 0.683 -3.630 417 HB3 TYR 73 1HB TYR 73 -0.397 -0.905 -2.896 418 HD1 TYR 73 2HD TYR 73 1.952 -1.959 -2.935 419 HD2 TYR 73 1HD TYR 73 1.224 2.169 -3.660 420 HE1 TYR 73 2HE TYR 73 4.300 -1.458 -2.406 421 HE2 TYR 73 1HE TYR 73 3.571 2.682 -3.133 422 HH TYR 73 HH TYR 73 5.436 1.727 -1.914 423 H ASP 74 H ASP 74 -1.159 1.075 -6.301 424 HA ASP 74 HA ASP 74 1.331 1.940 -7.469 425 HB2 ASP 74 2HB ASP 74 -0.041 0.024 -8.889 426 HB3 ASP 74 1HB ASP 74 -0.638 1.518 -9.604 427 H ILE 75 H ILE 75 1.076 3.927 -8.745 428 HA ILE 75 HA ILE 75 -1.422 5.368 -8.154 429 HB ILE 75 HB ILE 75 0.277 6.054 -6.519 430 HG12 ILE 75 2HG1 ILE 75 -0.103 8.288 -8.511 431 HG13 ILE 75 1HG1 ILE 75 -1.429 7.657 -7.538 432 HG21 ILE 75 1HG2 ILE 75 2.243 5.575 -7.952 433 HG22 ILE 75 2HG2 ILE 75 2.312 7.153 -7.169 434 HG23 ILE 75 3HG2 ILE 75 1.881 7.033 -8.874 435 HD11 ILE 75 3HD1 ILE 75 0.604 8.167 -5.717 436 HD12 ILE 75 1HD1 ILE 75 -0.853 9.124 -5.987 437 HD13 ILE 75 2HD1 ILE 75 0.640 9.529 -6.836 438 H SER 76 H SER 76 -1.937 7.081 -9.598 439 HA SER 76 HA SER 76 -0.301 7.663 -11.868 440 HB2 SER 76 2HB SER 76 -2.293 5.523 -12.055 441 HB3 SER 76 1HB SER 76 -2.498 6.774 -13.280 442 HG SER 76 HG SER 76 -0.366 6.438 -13.922 443 H THR 77 H THR 77 -2.045 8.672 -13.640 444 HA THR 77 HA THR 77 -3.392 10.440 -14.109 445 HB THR 77 HB THR 77 -4.644 10.271 -11.390 446 HG1 THR 77 1HG THR 77 -5.807 8.502 -12.015 447 HG21 THR 77 3HG2 THR 77 -6.715 10.634 -12.659 448 HG22 THR 77 1HG2 THR 77 -5.766 10.741 -14.141 449 HG23 THR 77 2HG2 THR 77 -5.551 11.942 -12.866 450 HA PRO 78 HA PRO 78 -1.141 13.775 -12.247 451 HB2 PRO 78 2HB PRO 78 -2.276 15.843 -13.540 452 HB3 PRO 78 1HB PRO 78 -1.199 14.707 -14.357 453 HG2 PRO 78 2HG PRO 78 -4.190 14.811 -14.356 454 HG3 PRO 78 1HG PRO 78 -3.080 14.527 -15.708 455 HD2 PRO 78 2HD PRO 78 -4.401 12.535 -14.388 456 HD3 PRO 78 1HD PRO 78 -2.832 12.307 -15.185 457 H ILE 79 H ILE 79 -4.453 13.214 -11.776 458 HA ILE 79 HA ILE 79 -4.802 15.532 -10.036 459 HB ILE 79 HB ILE 79 -6.853 13.422 -10.667 460 HG12 ILE 79 2HG1 ILE 79 -7.153 15.996 -12.021 461 HG13 ILE 79 1HG1 ILE 79 -5.713 15.120 -12.529 462 HG21 ILE 79 1HG2 ILE 79 -8.244 14.579 -9.379 463 HG22 ILE 79 2HG2 ILE 79 -7.808 16.102 -10.161 464 HG23 ILE 79 3HG2 ILE 79 -6.843 15.486 -8.819 465 HD11 ILE 79 3HD1 ILE 79 -7.000 13.982 -13.912 466 HD12 ILE 79 1HD1 ILE 79 -8.461 14.669 -13.205 467 HD13 ILE 79 2HD1 ILE 79 -7.741 13.221 -12.504 468 H ASN 80 H ASN 80 -3.000 13.321 -9.343 469 HA ASN 80 HA ASN 80 -2.446 11.992 -7.585 470 HB2 ASN 80 2HB ASN 80 -3.919 14.271 -6.516 471 HB3 ASN 80 1HB ASN 80 -4.004 12.859 -5.460 472 HD21 ASN 80 1HD2 ASN 80 -1.895 15.167 -7.002 473 HD22 ASN 80 2HD2 ASN 80 -0.522 14.880 -5.993 474 H PHE 81 H PHE 81 -3.721 10.354 -8.917 475 HA PHE 81 HA PHE 81 -6.094 9.412 -7.464 476 HB2 PHE 81 2HB PHE 81 -6.037 9.810 -10.041 477 HB3 PHE 81 1HB PHE 81 -5.166 8.280 -10.087 478 HD1 PHE 81 1HD PHE 81 -8.347 9.876 -9.107 479 HD2 PHE 81 2HD PHE 81 -6.294 6.225 -9.856 480 HE1 PHE 81 1HE PHE 81 -10.487 8.664 -9.042 481 HE2 PHE 81 2HE PHE 81 -8.431 5.006 -9.793 482 HZ PHE 81 HZ PHE 81 -10.531 6.226 -9.385 483 H LEU 82 H LEU 82 -5.832 7.802 -6.069 484 HA LEU 82 HA LEU 82 -3.450 6.109 -6.302 485 HB2 LEU 82 2HB LEU 82 -3.964 7.413 -4.187 486 HB3 LEU 82 1HB LEU 82 -5.309 6.318 -3.943 487 HG LEU 82 HG LEU 82 -3.715 4.418 -3.883 488 HD11 LEU 82 1HD1 LEU 82 -1.345 5.980 -3.385 489 HD12 LEU 82 2HD1 LEU 82 -1.959 6.264 -5.015 490 HD13 LEU 82 3HD1 LEU 82 -1.589 4.622 -4.484 491 HD21 LEU 82 3HD2 LEU 82 -2.780 4.937 -1.676 492 HD22 LEU 82 1HD2 LEU 82 -4.462 5.452 -1.811 493 HD23 LEU 82 2HD2 LEU 82 -3.163 6.640 -1.919 494 H CYS 83 H CYS 83 -3.691 4.170 -7.174 495 HA CYS 83 HA CYS 83 -6.264 2.778 -6.816 496 HB2 CYS 83 2HB CYS 83 -4.880 3.479 -9.237 497 HB3 CYS 83 1HB CYS 83 -4.974 1.727 -9.104 498 HG CYS 83 HG CYS 83 -7.642 3.188 -8.729 499 H ILE 84 H ILE 84 -5.963 1.192 -5.391 500 HA ILE 84 HA ILE 84 -3.379 -0.148 -5.253 501 HB ILE 84 HB ILE 84 -5.528 0.359 -3.363 502 HG12 ILE 84 2HG1 ILE 84 -2.600 -0.184 -3.380 503 HG13 ILE 84 1HG1 ILE 84 -3.489 1.159 -2.674 504 HG21 ILE 84 1HG2 ILE 84 -5.376 -1.749 -2.113 505 HG22 ILE 84 2HG2 ILE 84 -4.419 -2.450 -3.419 506 HG23 ILE 84 3HG2 ILE 84 -6.095 -1.984 -3.704 507 HD11 ILE 84 3HD1 ILE 84 -2.753 -1.453 -1.522 508 HD12 ILE 84 1HD1 ILE 84 -4.328 -0.801 -1.064 509 HD13 ILE 84 2HD1 ILE 84 -2.865 0.137 -0.765 510 H PHE 85 H PHE 85 -3.013 -2.224 -5.789 511 HA PHE 85 HA PHE 85 -5.287 -3.801 -6.795 512 HB2 PHE 85 2HB PHE 85 -2.559 -3.397 -8.013 513 HB3 PHE 85 1HB PHE 85 -3.562 -4.784 -8.424 514 HD1 PHE 85 1HD PHE 85 -6.053 -4.143 -9.087 515 HD2 PHE 85 2HD PHE 85 -2.695 -1.542 -9.350 516 HE1 PHE 85 1HE PHE 85 -7.236 -2.792 -10.769 517 HE2 PHE 85 2HE PHE 85 -3.872 -0.185 -11.032 518 HZ PHE 85 HZ PHE 85 -6.146 -0.810 -11.743 519 H ILE 86 H ILE 86 -5.515 -5.112 -5.035 520 HA ILE 86 HA ILE 86 -3.163 -6.488 -3.977 521 HB ILE 86 HB ILE 86 -4.597 -5.537 -2.306 522 HG12 ILE 86 2HG1 ILE 86 -5.196 -8.493 -2.262 523 HG13 ILE 86 1HG1 ILE 86 -3.575 -7.863 -1.985 524 HG21 ILE 86 1HG2 ILE 86 -6.965 -7.042 -2.416 525 HG22 ILE 86 2HG2 ILE 86 -6.686 -6.434 -4.047 526 HG23 ILE 86 3HG2 ILE 86 -6.767 -5.311 -2.690 527 HD11 ILE 86 3HD1 ILE 86 -4.495 -6.521 -0.106 528 HD12 ILE 86 1HD1 ILE 86 -4.603 -8.266 0.124 529 HD13 ILE 86 2HD1 ILE 86 -6.036 -7.348 -0.339 530 HA PRO 87 HA PRO 87 -4.503 -9.905 -6.652 531 HB2 PRO 87 2HB PRO 87 -1.893 -11.065 -6.098 532 HB3 PRO 87 1HB PRO 87 -2.538 -10.465 -7.629 533 HG2 PRO 87 2HG PRO 87 -0.526 -9.231 -6.282 534 HG3 PRO 87 1HG PRO 87 -1.673 -8.365 -7.320 535 HD2 PRO 87 2HD PRO 87 -1.638 -8.622 -4.336 536 HD3 PRO 87 1HD PRO 87 -1.986 -7.200 -5.339 537 H THR 88 H THR 88 -5.804 -11.391 -5.776 538 HA THR 88 HA THR 88 -4.756 -13.301 -3.889 539 HB THR 88 HB THR 88 -5.468 -11.415 -2.435 540 HG1 THR 88 1HG THR 88 -7.167 -13.665 -2.156 541 HG21 THR 88 3HG2 THR 88 -7.860 -11.014 -2.091 542 HG22 THR 88 1HG2 THR 88 -8.217 -12.013 -3.500 543 HG23 THR 88 2HG2 THR 88 -7.315 -10.509 -3.690 544 H LEU 89 H LEU 89 -5.658 -15.243 -4.188 545 HA LEU 89 HA LEU 89 -7.864 -15.441 -6.084 546 HB2 LEU 89 2HB LEU 89 -5.657 -17.186 -5.206 547 HB3 LEU 89 1HB LEU 89 -7.164 -18.011 -5.557 548 HG LEU 89 HG LEU 89 -7.059 -16.621 -7.786 549 HD11 LEU 89 1HD1 LEU 89 -4.209 -16.627 -6.825 550 HD12 LEU 89 2HD1 LEU 89 -5.180 -15.250 -7.347 551 HD13 LEU 89 3HD1 LEU 89 -4.656 -16.456 -8.523 552 HD21 LEU 89 3HD2 LEU 89 -5.465 -18.510 -8.656 553 HD22 LEU 89 1HD2 LEU 89 -7.080 -18.900 -8.059 554 HD23 LEU 89 2HD2 LEU 89 -5.672 -19.147 -7.025 555 H PHE 90 H PHE 90 -7.358 -15.570 -2.728 556 HA PHE 90 HA PHE 90 -8.712 -16.032 -0.972 557 HB2 PHE 90 2HB PHE 90 -10.410 -14.738 -2.078 558 HB3 PHE 90 1HB PHE 90 -10.820 -16.082 -3.137 559 HD1 PHE 90 2HD PHE 90 -10.570 -15.368 0.520 560 HD2 PHE 90 1HD PHE 90 -12.723 -17.253 -2.630 561 HE1 PHE 90 2HE PHE 90 -12.274 -16.103 2.125 562 HE2 PHE 90 1HE PHE 90 -14.435 -17.991 -1.024 563 HZ PHE 90 HZ PHE 90 -14.213 -17.416 1.360 564 H ASP 91 H ASP 91 -9.007 -17.797 0.200 565 HA ASP 91 HA ASP 91 -10.198 -20.188 -0.566 566 HB2 ASP 91 2HB ASP 91 -7.830 -20.008 -1.895 567 HB3 ASP 91 1HB ASP 91 -7.317 -20.833 -0.422 568 H MET 92 H MET 92 -7.305 -19.121 1.213 569 HA MET 92 HA MET 92 -8.501 -20.240 3.650 570 HB2 MET 92 2HB MET 92 -6.428 -21.445 2.558 571 HB3 MET 92 1HB MET 92 -5.532 -20.142 3.341 572 HG2 MET 92 2HG MET 92 -7.058 -20.954 5.390 573 HG3 MET 92 1HG MET 92 -6.914 -22.468 4.504 574 HE1 MET 92 3HE MET 92 -3.935 -19.538 5.335 575 HE2 MET 92 1HE MET 92 -3.914 -20.221 6.956 576 HE3 MET 92 2HE MET 92 -5.422 -19.628 6.263 577 H ASN 93 H ASN 93 -9.311 -18.165 4.131 578 HA ASN 93 HA ASN 93 -7.658 -16.591 5.767 579 HB2 ASN 93 2HB ASN 93 -7.841 -15.787 2.939 580 HB3 ASN 93 1HB ASN 93 -8.139 -14.499 4.097 581 HD21 ASN 93 1HD2 ASN 93 -5.824 -15.968 2.329 582 HD22 ASN 93 2HD2 ASN 93 -4.430 -15.559 3.263 583 H ASN 94 H ASN 94 -10.542 -16.764 3.760 584 HA ASN 94 HA ASN 94 -12.718 -16.258 4.168 585 HB2 ASN 94 2HB ASN 94 -12.203 -17.416 6.355 586 HB3 ASN 94 1HB ASN 94 -11.915 -15.823 7.048 587 HD21 ASN 94 1HD2 ASN 94 -14.369 -17.202 4.883 588 HD22 ASN 94 2HD2 ASN 94 -15.729 -16.665 5.810 589 H MET 95 H MET 95 -10.995 -14.228 3.271 590 HA MET 95 HA MET 95 -10.930 -11.982 2.928 591 HB2 MET 95 2HB MET 95 -13.673 -12.367 4.078 592 HB3 MET 95 1HB MET 95 -13.076 -10.741 3.765 593 HG2 MET 95 2HG MET 95 -12.565 -11.591 1.406 594 HG3 MET 95 1HG MET 95 -13.614 -12.945 1.812 595 HE1 MET 95 3HE MET 95 -15.983 -11.766 -0.294 596 HE2 MET 95 1HE MET 95 -16.785 -12.214 1.212 597 HE3 MET 95 2HE MET 95 -15.320 -13.059 0.705 598 H ASP 96 H ASP 96 -9.269 -11.225 4.122 599 HA ASP 96 HA ASP 96 -9.854 -9.706 6.461 600 HB2 ASP 96 2HB ASP 96 -8.395 -10.902 8.025 601 HB3 ASP 96 1HB ASP 96 -9.707 -11.942 7.482 602 H LEU 97 H LEU 97 -8.968 -8.526 4.409 603 HA LEU 97 HA LEU 97 -6.258 -7.775 5.047 604 HB2 LEU 97 2HB LEU 97 -6.541 -9.736 3.166 605 HB3 LEU 97 1HB LEU 97 -6.534 -8.292 2.171 606 HG LEU 97 HG LEU 97 -4.381 -8.950 4.180 607 HD11 LEU 97 1HD1 LEU 97 -3.186 -9.229 1.788 608 HD12 LEU 97 2HD1 LEU 97 -4.798 -9.826 1.397 609 HD13 LEU 97 3HD1 LEU 97 -3.874 -10.573 2.699 610 HD21 LEU 97 3HD2 LEU 97 -4.933 -6.704 2.356 611 HD22 LEU 97 1HD2 LEU 97 -3.273 -7.298 2.361 612 HD23 LEU 97 2HD2 LEU 97 -4.017 -6.748 3.862 613 H LEU 98 H LEU 98 -8.945 -7.445 2.755 614 HA LEU 98 HA LEU 98 -8.318 -4.939 1.724 615 HB2 LEU 98 2HB LEU 98 -10.952 -6.313 2.181 616 HB3 LEU 98 1HB LEU 98 -10.849 -4.742 1.415 617 HG LEU 98 HG LEU 98 -9.064 -6.190 -0.064 618 HD11 LEU 98 1HD1 LEU 98 -9.632 -8.364 -0.306 619 HD12 LEU 98 2HD1 LEU 98 -11.336 -8.074 0.039 620 HD13 LEU 98 3HD1 LEU 98 -10.172 -8.163 1.360 621 HD21 LEU 98 3HD2 LEU 98 -11.284 -6.503 -1.534 622 HD22 LEU 98 1HD2 LEU 98 -10.456 -4.956 -1.351 623 HD23 LEU 98 2HD2 LEU 98 -11.871 -5.322 -0.363 624 H LYS 99 H LYS 99 -9.826 -5.828 4.754 625 HA LYS 99 HA LYS 99 -10.908 -3.365 5.485 626 HB2 LYS 99 2HB LYS 99 -9.679 -5.455 7.294 627 HB3 LYS 99 1HB LYS 99 -10.788 -4.188 7.789 628 HG2 LYS 99 2HG LYS 99 -11.765 -5.911 5.625 629 HG3 LYS 99 1HG LYS 99 -11.521 -6.714 7.174 630 HD2 LYS 99 2HD LYS 99 -12.791 -4.558 8.055 631 HD3 LYS 99 1HD LYS 99 -13.433 -4.568 6.414 632 HE2 LYS 99 2HE LYS 99 -13.655 -7.200 7.170 633 HE3 LYS 99 1HE LYS 99 -14.008 -6.337 8.667 634 HZ1 LYS 99 3HZ LYS 99 -15.314 -5.335 6.267 635 HZ2 LYS 99 1HZ LYS 99 -15.915 -5.507 7.841 636 HZ3 LYS 99 2HZ LYS 99 -15.834 -6.850 6.815 637 H GLN 100 H GLN 100 -7.613 -4.504 5.521 638 HA GLN 100 HA GLN 100 -6.615 -2.417 7.214 639 HB2 GLN 100 2HB GLN 100 -5.066 -4.144 5.284 640 HB3 GLN 100 1HB GLN 100 -4.419 -3.249 6.648 641 HG2 GLN 100 2HG GLN 100 -6.384 -5.516 6.880 642 HG3 GLN 100 1HG GLN 100 -4.636 -5.687 7.036 643 HE21 GLN 100 1HE2 GLN 100 -7.554 -4.658 8.536 644 HE22 GLN 100 2HE2 GLN 100 -6.884 -4.286 10.083 645 H ALA 101 H ALA 101 -6.186 -3.124 3.757 646 HA ALA 101 HA ALA 101 -4.939 -0.797 2.974 647 HB1 ALA 101 1HB ALA 101 -4.994 -2.089 1.152 648 HB2 ALA 101 2HB ALA 101 -6.575 -1.376 0.836 649 HB3 ALA 101 3HB ALA 101 -6.456 -2.919 1.684 650 H LEU 102 H LEU 102 -8.436 -1.445 3.076 651 HA LEU 102 HA LEU 102 -9.313 1.047 2.177 652 HB2 LEU 102 2HB LEU 102 -10.500 -1.297 3.055 653 HB3 LEU 102 1HB LEU 102 -11.024 -0.110 4.231 654 HG LEU 102 HG LEU 102 -11.344 0.278 1.263 655 HD11 LEU 102 1HD1 LEU 102 -13.691 -0.379 2.903 656 HD12 LEU 102 2HD1 LEU 102 -12.580 -1.709 2.583 657 HD13 LEU 102 3HD1 LEU 102 -13.308 -0.823 1.245 658 HD21 LEU 102 3HD2 LEU 102 -12.740 1.590 3.583 659 HD22 LEU 102 1HD2 LEU 102 -12.887 2.005 1.875 660 HD23 LEU 102 2HD2 LEU 102 -11.365 2.286 2.721 661 H LEU 103 H LEU 103 -8.294 -0.033 5.349 662 HA LEU 103 HA LEU 103 -9.187 2.273 6.765 663 HB2 LEU 103 2HB LEU 103 -7.965 -0.204 7.393 664 HB3 LEU 103 1HB LEU 103 -6.924 1.052 8.033 665 HG LEU 103 HG LEU 103 -9.874 1.033 8.596 666 HD11 LEU 103 1HD1 LEU 103 -9.495 -0.965 9.587 667 HD12 LEU 103 2HD1 LEU 103 -8.854 0.060 10.870 668 HD13 LEU 103 3HD1 LEU 103 -7.759 -0.695 9.719 669 HD21 LEU 103 3HD2 LEU 103 -7.452 2.349 9.782 670 HD22 LEU 103 1HD2 LEU 103 -8.957 2.190 10.692 671 HD23 LEU 103 2HD2 LEU 103 -8.934 3.093 9.177 672 H ILE 104 H ILE 104 -6.334 1.448 4.948 673 HA ILE 104 HA ILE 104 -4.588 3.426 5.934 674 HB ILE 104 HB ILE 104 -4.660 2.167 3.192 675 HG12 ILE 104 2HG1 ILE 104 -2.977 1.452 5.602 676 HG13 ILE 104 1HG1 ILE 104 -4.435 0.590 5.125 677 HG21 ILE 104 1HG2 ILE 104 -2.908 4.169 4.410 678 HG22 ILE 104 2HG2 ILE 104 -3.154 3.755 2.714 679 HG23 ILE 104 3HG2 ILE 104 -2.054 2.796 3.705 680 HD11 ILE 104 3HD1 ILE 104 -1.766 0.668 3.806 681 HD12 ILE 104 1HD1 ILE 104 -3.209 0.316 2.855 682 HD13 ILE 104 2HD1 ILE 104 -2.780 -0.715 4.220 683 H LEU 105 H LEU 105 -6.500 3.418 2.912 684 HA LEU 105 HA LEU 105 -5.978 6.137 2.335 685 HB2 LEU 105 2HB LEU 105 -6.710 4.407 0.678 686 HB3 LEU 105 1HB LEU 105 -8.317 4.490 1.374 687 HG LEU 105 HG LEU 105 -7.963 5.802 -0.752 688 HD11 LEU 105 1HD1 LEU 105 -8.763 7.857 1.157 689 HD12 LEU 105 2HD1 LEU 105 -9.549 6.300 1.416 690 HD13 LEU 105 3HD1 LEU 105 -9.674 7.101 -0.149 691 HD21 LEU 105 3HD2 LEU 105 -6.746 7.805 -0.753 692 HD22 LEU 105 1HD2 LEU 105 -5.684 6.633 0.028 693 HD23 LEU 105 2HD2 LEU 105 -6.575 7.801 1.003 694 H HIS 106 H HIS 106 -8.391 4.537 4.269 695 HA HIS 106 HA HIS 106 -10.307 6.571 4.405 696 HB2 HIS 106 2HB HIS 106 -9.729 4.100 5.801 697 HB3 HIS 106 1HB HIS 106 -10.284 5.335 6.924 698 HD1 HIS 106 1HD HIS 106 -12.326 6.716 4.985 699 HD2 HIS 106 2HD HIS 106 -12.042 2.627 5.673 700 HE1 HIS 106 1HE HIS 106 -14.588 5.777 4.406 701 HE2 HIS 106 2HE HIS 106 -14.416 3.314 4.912 702 H ASN 107 H ASN 107 -7.920 5.771 6.937 703 HA ASN 107 HA ASN 107 -8.240 8.127 8.398 704 HB2 ASN 107 2HB ASN 107 -7.092 6.027 9.174 705 HB3 ASN 107 1HB ASN 107 -5.698 6.503 8.215 706 HD21 ASN 107 1HD2 ASN 107 -7.883 7.820 10.667 707 HD22 ASN 107 2HD2 ASN 107 -6.663 8.656 11.560 708 H ASP 108 H ASP 108 -6.326 7.442 5.558 709 HA ASP 108 HA ASP 108 -4.651 9.735 5.729 710 HB2 ASP 108 2HB ASP 108 -4.373 7.548 4.327 711 HB3 ASP 108 1HB ASP 108 -5.343 8.403 3.131 712 H LEU 109 H LEU 109 -7.783 9.070 4.294 713 HA LEU 109 HA LEU 109 -7.904 11.633 2.960 714 HB2 LEU 109 2HB LEU 109 -8.960 9.685 1.941 715 HB3 LEU 109 1HB LEU 109 -9.987 9.486 3.339 716 HG LEU 109 HG LEU 109 -10.999 11.723 2.835 717 HD11 LEU 109 1HD1 LEU 109 -10.591 12.827 0.810 718 HD12 LEU 109 2HD1 LEU 109 -9.698 11.459 0.144 719 HD13 LEU 109 3HD1 LEU 109 -8.994 12.419 1.436 720 HD21 LEU 109 3HD2 LEU 109 -12.405 10.057 2.165 721 HD22 LEU 109 1HD2 LEU 109 -11.217 9.325 1.097 722 HD23 LEU 109 2HD2 LEU 109 -12.066 10.790 0.604 723 H HIS 110 H HIS 110 -9.077 10.162 5.902 724 HA HIS 110 HA HIS 110 -11.021 12.039 6.615 725 HB2 HIS 110 2HB HIS 110 -9.411 10.005 8.048 726 HB3 HIS 110 1HB HIS 110 -10.116 11.270 9.033 727 HD1 HIS 110 1HD HIS 110 -11.881 9.893 6.022 728 HD2 HIS 110 2HD HIS 110 -12.043 9.623 10.165 729 HE1 HIS 110 1HE HIS 110 -14.026 8.679 6.538 730 HE2 HIS 110 2HE HIS 110 -14.142 8.606 9.051 731 H GLU 111 H GLU 111 -7.597 12.298 6.531 732 HA GLU 111 HA GLU 111 -7.413 14.427 8.456 733 HB2 GLU 111 2HB GLU 111 -5.594 12.713 7.798 734 HB3 GLU 111 1HB GLU 111 -5.302 13.779 6.427 735 HG2 GLU 111 2HG GLU 111 -5.066 15.634 8.169 736 HG3 GLU 111 1HG GLU 111 -4.936 14.333 9.348 737 H TYR 112 H TYR 112 -8.741 14.368 5.476 738 HA TYR 112 HA TYR 112 -7.937 17.149 4.923 739 HB2 TYR 112 2HB TYR 112 -8.305 14.819 3.097 740 HB3 TYR 112 1HB TYR 112 -8.779 16.422 2.508 741 HD1 TYR 112 1HD TYR 112 -5.936 14.430 3.798 742 HD2 TYR 112 2HD TYR 112 -7.153 18.011 1.838 743 HE1 TYR 112 1HE TYR 112 -3.591 14.911 3.229 744 HE2 TYR 112 2HE TYR 112 -4.814 18.495 1.262 745 HH TYR 112 HH TYR 112 -2.546 17.915 2.124 746 H VAL 113 H VAL 113 -10.535 14.757 4.630 747 HA VAL 113 HA VAL 113 -12.548 16.695 4.016 748 HB VAL 113 HB VAL 113 -12.773 14.350 3.313 749 HG11 VAL 113 1HG1 VAL 113 -13.456 13.497 6.077 750 HG12 VAL 113 2HG1 VAL 113 -11.754 13.602 5.625 751 HG13 VAL 113 3HG1 VAL 113 -12.838 12.557 4.717 752 HG21 VAL 113 3HG2 VAL 113 -14.754 15.973 4.199 753 HG22 VAL 113 1HG2 VAL 113 -15.033 14.541 5.186 754 HG23 VAL 113 2HG2 VAL 113 -15.021 14.407 3.425 755 H GLU 114 H GLU 114 -11.663 18.007 5.966 756 HA GLU 114 HA GLU 114 -13.024 17.214 8.449 757 HB2 GLU 114 2HB GLU 114 -10.483 18.181 8.040 758 HB3 GLU 114 1HB GLU 114 -11.362 19.625 8.538 759 HG2 GLU 114 2HG GLU 114 -10.367 18.564 10.456 760 HG3 GLU 114 1HG GLU 114 -12.120 18.452 10.549 Start of MODEL 4 1 H THR 26 H THR 26 -5.782 -17.815 -10.630 2 HA THR 26 HA THR 26 -6.102 -16.913 -7.943 3 HB THR 26 HB THR 26 -3.901 -17.024 -9.040 4 HG1 THR 26 1HG THR 26 -4.402 -15.439 -7.348 5 HG21 THR 26 3HG2 THR 26 -5.127 -15.733 -11.172 6 HG22 THR 26 1HG2 THR 26 -3.412 -16.108 -10.990 7 HG23 THR 26 2HG2 THR 26 -4.032 -14.538 -10.477 8 H SER 27 H SER 27 -6.740 -14.883 -7.193 9 HA SER 27 HA SER 27 -8.300 -13.278 -9.112 10 HB2 SER 27 2HB SER 27 -9.005 -13.226 -6.217 11 HB3 SER 27 1HB SER 27 -10.047 -13.082 -7.632 12 H LYS 28 H LYS 28 -8.898 -11.143 -7.447 13 HA LYS 28 HA LYS 28 -6.706 -10.088 -6.044 14 HB2 LYS 28 2HB LYS 28 -6.043 -8.337 -7.741 15 HB3 LYS 28 1HB LYS 28 -5.500 -9.973 -8.085 16 HG2 LYS 28 2HG LYS 28 -7.814 -9.986 -9.434 17 HG3 LYS 28 1HG LYS 28 -7.424 -8.268 -9.529 18 HD2 LYS 28 2HD LYS 28 -5.446 -8.654 -10.691 19 HD3 LYS 28 1HD LYS 28 -5.357 -10.339 -10.171 20 HE2 LYS 28 2HE LYS 28 -7.662 -10.433 -11.518 21 HE3 LYS 28 1HE LYS 28 -6.890 -9.104 -12.385 22 HZ1 LYS 28 3HZ LYS 28 -4.931 -10.600 -12.663 23 HZ2 LYS 28 1HZ LYS 28 -6.320 -11.103 -13.488 24 HZ3 LYS 28 2HZ LYS 28 -5.867 -11.868 -12.048 25 H GLN 29 H GLN 29 -6.941 -7.721 -5.646 26 HA GLN 29 HA GLN 29 -9.549 -6.589 -6.223 27 HB2 GLN 29 2HB GLN 29 -8.759 -7.622 -3.549 28 HB3 GLN 29 1HB GLN 29 -9.573 -6.058 -3.588 29 HG2 GLN 29 2HG GLN 29 -11.533 -6.949 -4.407 30 HG3 GLN 29 1HG GLN 29 -10.733 -8.371 -5.074 31 HE21 GLN 29 1HE2 GLN 29 -9.431 -9.509 -3.124 32 HE22 GLN 29 2HE2 GLN 29 -10.452 -9.913 -1.791 33 H GLU 30 H GLU 30 -9.601 -4.375 -6.096 34 HA GLU 30 HA GLU 30 -7.041 -3.098 -5.413 35 HB2 GLU 30 2HB GLU 30 -7.291 -1.605 -7.250 36 HB3 GLU 30 1HB GLU 30 -7.568 -3.232 -7.856 37 HG2 GLU 30 2HG GLU 30 -9.510 -2.599 -8.682 38 HG3 GLU 30 1HG GLU 30 -10.072 -2.186 -7.064 39 H LEU 31 H LEU 31 -7.054 -1.307 -4.177 40 HA LEU 31 HA LEU 31 -9.661 -0.434 -3.136 41 HB2 LEU 31 2HB LEU 31 -6.889 -0.290 -1.954 42 HB3 LEU 31 1HB LEU 31 -8.285 0.496 -1.242 43 HG LEU 31 HG LEU 31 -9.143 -2.109 -1.543 44 HD11 LEU 31 1HD1 LEU 31 -6.329 -2.226 -0.487 45 HD12 LEU 31 2HD1 LEU 31 -6.772 -2.692 -2.129 46 HD13 LEU 31 3HD1 LEU 31 -7.446 -3.565 -0.754 47 HD21 LEU 31 3HD2 LEU 31 -9.589 -0.735 0.381 48 HD22 LEU 31 1HD2 LEU 31 -7.885 -0.743 0.832 49 HD23 LEU 31 2HD2 LEU 31 -8.826 -2.233 0.913 50 H ILE 32 H ILE 32 -10.112 1.780 -2.891 51 HA ILE 32 HA ILE 32 -8.534 3.508 -4.671 52 HB ILE 32 HB ILE 32 -10.626 4.993 -4.541 53 HG12 ILE 32 2HG1 ILE 32 -11.521 3.470 -2.614 54 HG13 ILE 32 1HG1 ILE 32 -12.645 4.113 -3.804 55 HG21 ILE 32 1HG2 ILE 32 -10.189 4.050 -6.605 56 HG22 ILE 32 2HG2 ILE 32 -11.803 3.439 -6.242 57 HG23 ILE 32 3HG2 ILE 32 -10.395 2.402 -6.013 58 HD11 ILE 32 3HD1 ILE 32 -11.502 1.499 -4.479 59 HD12 ILE 32 1HD1 ILE 32 -13.163 2.080 -4.588 60 HD13 ILE 32 2HD1 ILE 32 -12.523 1.526 -3.041 61 H LEU 33 H LEU 33 -7.325 5.041 -3.788 62 HA LEU 33 HA LEU 33 -8.088 6.088 -1.143 63 HB2 LEU 33 2HB LEU 33 -5.239 5.853 -2.077 64 HB3 LEU 33 1HB LEU 33 -5.831 6.156 -0.448 65 HG LEU 33 HG LEU 33 -6.897 3.749 -0.766 66 HD11 LEU 33 1HD1 LEU 33 -5.938 3.750 -3.158 67 HD12 LEU 33 2HD1 LEU 33 -5.748 2.301 -2.172 68 HD13 LEU 33 3HD1 LEU 33 -4.395 3.412 -2.375 69 HD21 LEU 33 3HD2 LEU 33 -3.984 4.230 -0.146 70 HD22 LEU 33 1HD2 LEU 33 -4.926 2.816 0.329 71 HD23 LEU 33 2HD2 LEU 33 -5.326 4.403 0.985 72 H VAL 34 H VAL 34 -7.630 8.273 -0.731 73 HA VAL 34 HA VAL 34 -6.507 9.943 -2.798 74 HB VAL 34 HB VAL 34 -9.395 10.357 -2.007 75 HG11 VAL 34 1HG1 VAL 34 -7.983 12.381 -2.497 76 HG12 VAL 34 2HG1 VAL 34 -9.412 12.194 -3.505 77 HG13 VAL 34 3HG1 VAL 34 -7.820 11.778 -4.142 78 HG21 VAL 34 3HG2 VAL 34 -9.302 8.467 -3.468 79 HG22 VAL 34 1HG2 VAL 34 -8.189 9.296 -4.557 80 HG23 VAL 34 2HG2 VAL 34 -9.857 9.849 -4.411 81 H LEU 35 H LEU 35 -5.348 11.394 -1.815 82 HA LEU 35 HA LEU 35 -5.656 11.911 1.003 83 HB2 LEU 35 2HB LEU 35 -3.553 11.902 -0.787 84 HB3 LEU 35 1HB LEU 35 -3.788 13.612 -0.453 85 HG LEU 35 HG LEU 35 -3.702 11.826 1.907 86 HD11 LEU 35 1HD1 LEU 35 -1.128 12.582 0.566 87 HD12 LEU 35 2HD1 LEU 35 -1.913 11.027 0.265 88 HD13 LEU 35 3HD1 LEU 35 -1.397 11.456 1.898 89 HD21 LEU 35 3HD2 LEU 35 -2.260 13.749 2.695 90 HD22 LEU 35 1HD2 LEU 35 -3.942 14.136 2.325 91 HD23 LEU 35 2HD2 LEU 35 -2.667 14.553 1.179 92 H LYS 36 H LYS 36 -5.456 14.070 -1.833 93 HA LYS 36 HA LYS 36 -7.633 15.676 -0.770 94 HB2 LYS 36 2HB LYS 36 -4.793 16.569 -0.885 95 HB3 LYS 36 1HB LYS 36 -6.042 17.735 -1.302 96 HG2 LYS 36 2HG LYS 36 -6.481 18.096 0.835 97 HG3 LYS 36 1HG LYS 36 -6.782 16.379 1.104 98 HD2 LYS 36 2HD LYS 36 -4.334 16.045 1.359 99 HD3 LYS 36 1HD LYS 36 -4.108 17.790 1.206 100 HE2 LYS 36 2HE LYS 36 -5.370 18.188 3.207 101 HE3 LYS 36 1HE LYS 36 -5.824 16.486 3.315 102 HZ1 LYS 36 3HZ LYS 36 -3.849 15.923 4.192 103 HZ2 LYS 36 1HZ LYS 36 -3.779 17.556 4.637 104 HZ3 LYS 36 2HZ LYS 36 -2.975 17.022 3.248 105 H GLY 37 H GLY 37 -5.049 16.244 -3.158 106 HA2 GLY 37 2HA GLY 37 -6.754 15.713 -5.386 107 HA3 GLY 37 1HA GLY 37 -6.576 17.435 -5.104 108 H GLU 38 H GLU 38 -4.704 18.459 -5.678 109 HA GLU 38 HA GLU 38 -2.658 16.772 -6.967 110 HB2 GLU 38 2HB GLU 38 -2.229 18.609 -8.502 111 HB3 GLU 38 1HB GLU 38 -3.919 18.140 -8.568 112 HG2 GLU 38 2HG GLU 38 -4.418 20.036 -7.015 113 HG3 GLU 38 1HG GLU 38 -2.747 20.545 -7.206 114 H LEU 39 H LEU 39 -0.498 17.237 -6.617 115 HA LEU 39 HA LEU 39 1.324 17.911 -5.460 116 HB2 LEU 39 2HB LEU 39 0.173 20.174 -6.399 117 HB3 LEU 39 1HB LEU 39 0.157 20.513 -4.678 118 HG LEU 39 HG LEU 39 2.721 19.552 -5.825 119 HD11 LEU 39 1HD1 LEU 39 3.242 21.967 -6.428 120 HD12 LEU 39 2HD1 LEU 39 1.501 22.232 -6.423 121 HD13 LEU 39 3HD1 LEU 39 2.213 21.071 -7.547 122 HD21 LEU 39 3HD2 LEU 39 2.217 20.183 -3.402 123 HD22 LEU 39 1HD2 LEU 39 2.217 21.856 -3.968 124 HD23 LEU 39 2HD2 LEU 39 3.668 20.869 -4.142 125 H ASP 40 H ASP 40 0.983 16.407 -3.785 126 HA ASP 40 HA ASP 40 0.657 17.602 -1.200 127 HB2 ASP 40 2HB ASP 40 -1.160 16.070 -0.464 128 HB3 ASP 40 1HB ASP 40 -1.685 17.235 -1.675 129 H LEU 41 H LEU 41 2.585 16.855 -0.513 130 HA LEU 41 HA LEU 41 4.122 15.405 0.327 131 HB2 LEU 41 2HB LEU 41 1.606 14.040 0.584 132 HB3 LEU 41 1HB LEU 41 2.859 12.880 0.190 133 HG LEU 41 HG LEU 41 2.668 12.989 2.571 134 HD11 LEU 41 1HD1 LEU 41 4.956 12.921 1.471 135 HD12 LEU 41 2HD1 LEU 41 4.897 13.382 3.172 136 HD13 LEU 41 3HD1 LEU 41 5.103 14.622 1.932 137 HD21 LEU 41 3HD2 LEU 41 1.814 15.518 2.274 138 HD22 LEU 41 1HD2 LEU 41 3.466 15.814 2.795 139 HD23 LEU 41 2HD2 LEU 41 2.387 14.858 3.806 140 H HIS 42 H HIS 42 2.404 13.155 -1.816 141 HA HIS 42 HA HIS 42 3.071 11.962 -3.638 142 HB2 HIS 42 2HB HIS 42 3.559 14.444 -4.348 143 HB3 HIS 42 1HB HIS 42 5.246 13.957 -4.195 144 HD1 HIS 42 1HD HIS 42 5.771 11.629 -5.648 145 HD2 HIS 42 2HD HIS 42 2.552 13.985 -6.809 146 HE1 HIS 42 1HE HIS 42 5.279 10.971 -8.023 147 HE2 HIS 42 2HE HIS 42 3.279 12.354 -8.677 148 H SER 43 H SER 43 4.283 11.463 -1.057 149 HA SER 43 HA SER 43 6.505 9.852 -1.959 150 HB2 SER 43 2HB SER 43 6.869 12.238 -0.212 151 HB3 SER 43 1HB SER 43 7.836 10.802 0.123 152 HG SER 43 HG SER 43 9.024 11.293 -1.526 153 H LYS 44 H LYS 44 4.695 11.046 0.851 154 HA LYS 44 HA LYS 44 5.215 8.819 2.509 155 HB2 LYS 44 2HB LYS 44 4.124 11.238 2.941 156 HB3 LYS 44 1HB LYS 44 2.650 10.273 2.841 157 HG2 LYS 44 2HG LYS 44 3.157 9.064 4.734 158 HG3 LYS 44 1HG LYS 44 4.889 9.379 4.600 159 HD2 LYS 44 2HD LYS 44 4.742 11.353 5.682 160 HD3 LYS 44 1HD LYS 44 3.175 11.749 4.980 161 HE2 LYS 44 2HE LYS 44 2.374 9.762 6.525 162 HE3 LYS 44 1HE LYS 44 3.831 10.186 7.429 163 HZ1 LYS 44 3HZ LYS 44 2.348 11.571 8.418 164 HZ2 LYS 44 1HZ LYS 44 1.374 11.722 7.040 165 HZ3 LYS 44 2HZ LYS 44 2.825 12.587 7.153 166 H ASN 45 H ASN 45 2.896 9.400 -0.016 167 HA ASN 45 HA ASN 45 0.950 7.495 0.597 168 HB2 ASN 45 2HB ASN 45 1.955 8.435 -2.096 169 HB3 ASN 45 1HB ASN 45 0.510 7.463 -1.866 170 HD21 ASN 45 1HD2 ASN 45 -1.078 8.815 -2.393 171 HD22 ASN 45 2HD2 ASN 45 -1.359 10.352 -1.665 172 H MET 46 H MET 46 3.699 7.089 -1.652 173 HA MET 46 HA MET 46 3.364 4.347 -2.045 174 HB2 MET 46 2HB MET 46 5.670 4.336 -2.863 175 HB3 MET 46 1HB MET 46 4.789 5.736 -3.477 176 HG2 MET 46 2HG MET 46 5.881 7.185 -1.941 177 HG3 MET 46 1HG MET 46 6.614 5.827 -1.091 178 HE1 MET 46 3HE MET 46 9.184 4.646 -2.219 179 HE2 MET 46 1HE MET 46 8.801 4.305 -3.907 180 HE3 MET 46 2HE MET 46 7.617 3.966 -2.647 181 H LYS 47 H LYS 47 5.112 6.121 0.430 182 HA LYS 47 HA LYS 47 6.399 3.873 1.589 183 HB2 LYS 47 2HB LYS 47 6.850 6.440 1.880 184 HB3 LYS 47 1HB LYS 47 5.671 6.310 3.178 185 HG2 LYS 47 2HG LYS 47 7.487 5.880 4.422 186 HG3 LYS 47 1HG LYS 47 7.276 4.246 3.801 187 HD2 LYS 47 2HD LYS 47 8.944 6.268 2.348 188 HD3 LYS 47 1HD LYS 47 9.613 5.288 3.654 189 HE2 LYS 47 2HE LYS 47 10.128 3.980 1.847 190 HE3 LYS 47 1HE LYS 47 8.553 3.321 2.279 191 HZ1 LYS 47 3HZ LYS 47 8.142 3.666 0.109 192 HZ2 LYS 47 1HZ LYS 47 9.341 4.858 -0.053 193 HZ3 LYS 47 2HZ LYS 47 7.833 5.254 0.604 194 H ASN 48 H ASN 48 3.223 5.247 1.866 195 HA ASN 48 HA ASN 48 2.494 4.052 4.334 196 HB2 ASN 48 2HB ASN 48 1.242 5.944 3.450 197 HB3 ASN 48 1HB ASN 48 0.788 5.012 2.028 198 HD21 ASN 48 1HD2 ASN 48 -0.519 3.087 2.396 199 HD22 ASN 48 2HD2 ASN 48 -1.670 3.099 3.683 200 H VAL 49 H VAL 49 2.113 3.075 0.952 201 HA VAL 49 HA VAL 49 0.637 0.723 1.481 202 HB VAL 49 HB VAL 49 2.463 1.198 -0.876 203 HG11 VAL 49 1HG1 VAL 49 1.580 -0.636 -1.824 204 HG12 VAL 49 2HG1 VAL 49 -0.038 -0.292 -1.218 205 HG13 VAL 49 3HG1 VAL 49 1.144 -1.079 -0.175 206 HG21 VAL 49 3HG2 VAL 49 0.509 2.110 -2.026 207 HG22 VAL 49 1HG2 VAL 49 0.919 3.075 -0.607 208 HG23 VAL 49 2HG2 VAL 49 -0.440 1.953 -0.548 209 H ILE 50 H ILE 50 4.073 1.094 0.579 210 HA ILE 50 HA ILE 50 4.905 -1.500 0.872 211 HB ILE 50 HB ILE 50 6.355 0.304 0.050 212 HG12 ILE 50 2HG1 ILE 50 7.981 -0.682 2.301 213 HG13 ILE 50 1HG1 ILE 50 7.109 -1.934 1.423 214 HG21 ILE 50 1HG2 ILE 50 7.409 1.869 1.489 215 HG22 ILE 50 2HG2 ILE 50 6.747 1.087 2.926 216 HG23 ILE 50 3HG2 ILE 50 5.678 1.943 1.815 217 HD11 ILE 50 3HD1 ILE 50 8.215 -1.444 -0.582 218 HD12 ILE 50 1HD1 ILE 50 9.465 -1.406 0.661 219 HD13 ILE 50 2HD1 ILE 50 8.807 0.102 0.026 220 H ASN 51 H ASN 51 4.179 0.820 3.379 221 HA ASN 51 HA ASN 51 5.370 -0.644 5.519 222 HB2 ASN 51 2HB ASN 51 3.620 1.742 5.257 223 HB3 ASN 51 1HB ASN 51 3.580 0.895 6.800 224 HD21 ASN 51 1HD2 ASN 51 4.626 2.334 8.041 225 HD22 ASN 51 2HD2 ASN 51 6.263 2.820 7.796 226 H ASN 52 H ASN 52 2.095 -0.395 4.201 227 HA ASN 52 HA ASN 52 1.034 -2.246 6.151 228 HB2 ASN 52 2HB ASN 52 -0.073 -0.584 3.950 229 HB3 ASN 52 1HB ASN 52 -0.965 -2.043 4.371 230 HD21 ASN 52 1HD2 ASN 52 0.767 0.493 6.154 231 HD22 ASN 52 2HD2 ASN 52 -0.511 0.817 7.270 232 H ALA 53 H ALA 53 1.384 -2.254 2.602 233 HA ALA 53 HA ALA 53 0.577 -4.829 2.072 234 HB1 ALA 53 1HB ALA 53 1.173 -3.094 0.382 235 HB2 ALA 53 2HB ALA 53 1.821 -4.696 0.026 236 HB3 ALA 53 3HB ALA 53 2.874 -3.446 0.691 237 H LYS 54 H LYS 54 3.612 -3.728 3.427 238 HA LYS 54 HA LYS 54 4.883 -6.311 3.192 239 HB2 LYS 54 2HB LYS 54 6.137 -4.134 3.135 240 HB3 LYS 54 1HB LYS 54 5.771 -3.942 4.844 241 HG2 LYS 54 2HG LYS 54 7.007 -5.961 5.365 242 HG3 LYS 54 1HG LYS 54 7.320 -6.233 3.650 243 HD2 LYS 54 2HD LYS 54 8.146 -3.663 4.942 244 HD3 LYS 54 1HD LYS 54 9.142 -5.107 5.125 245 HE2 LYS 54 2HE LYS 54 8.605 -5.071 2.430 246 HE3 LYS 54 1HE LYS 54 8.774 -3.360 2.817 247 HZ1 LYS 54 3HZ LYS 54 10.937 -3.725 3.665 248 HZ2 LYS 54 1HZ LYS 54 10.872 -4.520 2.173 249 HZ3 LYS 54 2HZ LYS 54 10.767 -5.407 3.610 250 H LYS 55 H LYS 55 3.400 -4.369 5.750 251 HA LYS 55 HA LYS 55 3.978 -6.059 7.908 252 HB2 LYS 55 2HB LYS 55 2.376 -3.733 7.429 253 HB3 LYS 55 1HB LYS 55 1.420 -4.896 8.337 254 HG2 LYS 55 2HG LYS 55 2.916 -4.899 10.132 255 HG3 LYS 55 1HG LYS 55 4.201 -4.157 9.177 256 HD2 LYS 55 2HD LYS 55 3.366 -2.454 10.590 257 HD3 LYS 55 1HD LYS 55 2.707 -2.124 8.986 258 HE2 LYS 55 2HE LYS 55 1.082 -3.836 10.769 259 HE3 LYS 55 1HE LYS 55 1.217 -2.136 11.214 260 HZ1 LYS 55 3HZ LYS 55 0.519 -1.611 8.892 261 HZ2 LYS 55 1HZ LYS 55 -0.672 -2.364 9.829 262 HZ3 LYS 55 2HZ LYS 55 0.180 -3.253 8.671 263 H ASN 56 H ASN 56 1.428 -6.119 5.501 264 HA ASN 56 HA ASN 56 -0.110 -8.169 6.759 265 HB2 ASN 56 2HB ASN 56 -0.079 -6.965 3.998 266 HB3 ASN 56 1HB ASN 56 -1.101 -8.353 4.380 267 HD21 ASN 56 1HD2 ASN 56 -0.852 -5.015 4.389 268 HD22 ASN 56 2HD2 ASN 56 -2.237 -4.654 5.355 269 H LEU 57 H LEU 57 2.291 -8.103 4.150 270 HA LEU 57 HA LEU 57 2.201 -10.748 3.348 271 HB2 LEU 57 2HB LEU 57 4.458 -8.771 3.507 272 HB3 LEU 57 1HB LEU 57 4.716 -10.401 2.898 273 HG LEU 57 HG LEU 57 2.567 -8.690 1.703 274 HD11 LEU 57 1HD1 LEU 57 3.963 -7.349 0.580 275 HD12 LEU 57 2HD1 LEU 57 5.141 -8.634 0.316 276 HD13 LEU 57 3HD1 LEU 57 5.126 -7.752 1.844 277 HD21 LEU 57 3HD2 LEU 57 3.216 -10.023 -0.308 278 HD22 LEU 57 1HD2 LEU 57 2.575 -10.981 1.027 279 HD23 LEU 57 2HD2 LEU 57 4.311 -10.942 0.723 280 H GLU 58 H GLU 58 4.476 -9.368 5.716 281 HA GLU 58 HA GLU 58 5.518 -11.807 6.596 282 HB2 GLU 58 2HB GLU 58 5.458 -9.028 7.664 283 HB3 GLU 58 1HB GLU 58 5.919 -10.315 8.769 284 HG2 GLU 58 2HG GLU 58 7.228 -9.959 6.094 285 HG3 GLU 58 1HG GLU 58 7.782 -9.114 7.539 286 H LYS 59 H LYS 59 2.628 -10.070 7.515 287 HA LYS 59 HA LYS 59 2.052 -11.292 9.951 288 HB2 LYS 59 2HB LYS 59 0.805 -9.371 8.915 289 HB3 LYS 59 1HB LYS 59 0.024 -10.526 7.845 290 HG2 LYS 59 2HG LYS 59 -1.558 -10.369 9.468 291 HG3 LYS 59 1HG LYS 59 -0.598 -11.699 10.120 292 HD2 LYS 59 2HD LYS 59 0.707 -9.574 11.171 293 HD3 LYS 59 1HD LYS 59 -0.941 -8.945 11.104 294 HE2 LYS 59 2HE LYS 59 -1.638 -11.127 12.222 295 HE3 LYS 59 1HE LYS 59 0.076 -11.376 12.548 296 HZ1 LYS 59 3HZ LYS 59 -1.271 -8.870 13.338 297 HZ2 LYS 59 1HZ LYS 59 0.155 -9.546 13.951 298 HZ3 LYS 59 2HZ LYS 59 -1.340 -10.242 14.326 299 H TYR 60 H TYR 60 1.634 -12.420 6.663 300 HA TYR 60 HA TYR 60 0.102 -14.740 7.385 301 HB2 TYR 60 2HB TYR 60 1.644 -14.399 4.820 302 HB3 TYR 60 1HB TYR 60 0.164 -15.320 5.096 303 HD1 TYR 60 2HD TYR 60 -1.820 -13.722 6.077 304 HD2 TYR 60 1HD TYR 60 1.409 -12.481 3.601 305 HE1 TYR 60 2HE TYR 60 -3.152 -11.802 5.312 306 HE2 TYR 60 1HE TYR 60 0.084 -10.557 2.827 307 HH TYR 60 HH TYR 60 -2.236 -9.872 2.647 308 H PHE 61 H PHE 61 3.469 -14.085 6.502 309 HA PHE 61 HA PHE 61 4.311 -16.798 6.713 310 HB2 PHE 61 2HB PHE 61 5.424 -14.771 5.483 311 HB3 PHE 61 1HB PHE 61 6.199 -14.492 7.044 312 HD1 PHE 61 1HD PHE 61 5.727 -17.030 4.381 313 HD2 PHE 61 2HD PHE 61 8.074 -15.725 7.682 314 HE1 PHE 61 1HE PHE 61 7.436 -18.710 3.825 315 HE2 PHE 61 2HE PHE 61 9.788 -17.403 7.132 316 HZ PHE 61 HZ PHE 61 9.470 -18.898 5.201 317 H LYS 62 H LYS 62 3.746 -14.301 9.004 318 HA LYS 62 HA LYS 62 5.442 -15.488 11.037 319 HB2 LYS 62 2HB LYS 62 4.884 -12.953 10.676 320 HB3 LYS 62 1HB LYS 62 3.437 -13.335 11.597 321 HG2 LYS 62 2HG LYS 62 5.077 -14.344 13.316 322 HG3 LYS 62 1HG LYS 62 6.296 -13.391 12.467 323 HD2 LYS 62 2HD LYS 62 5.096 -11.357 12.916 324 HD3 LYS 62 1HD LYS 62 3.739 -12.257 13.597 325 HE2 LYS 62 2HE LYS 62 5.170 -13.053 15.408 326 HE3 LYS 62 1HE LYS 62 6.539 -12.180 14.720 327 HZ1 LYS 62 3HZ LYS 62 4.975 -11.183 16.615 328 HZ2 LYS 62 1HZ LYS 62 4.155 -10.605 15.252 329 HZ3 LYS 62 2HZ LYS 62 5.784 -10.217 15.486 330 H GLU 63 H GLU 63 2.168 -15.652 9.972 331 HA GLU 63 HA GLU 63 1.292 -16.854 12.487 332 HB2 GLU 63 2HB GLU 63 -0.959 -16.667 11.625 333 HB3 GLU 63 1HB GLU 63 -0.124 -15.123 11.440 334 HG2 GLU 63 2HG GLU 63 0.327 -15.731 9.071 335 HG3 GLU 63 1HG GLU 63 -0.682 -17.160 9.295 336 H HIS 64 H HIS 64 1.528 -17.669 9.025 337 HA HIS 64 HA HIS 64 1.138 -20.482 9.799 338 HB2 HIS 64 2HB HIS 64 0.148 -18.951 7.434 339 HB3 HIS 64 1HB HIS 64 0.444 -20.679 7.278 340 HD1 HIS 64 1HD HIS 64 -1.786 -21.752 7.349 341 HD2 HIS 64 2HD HIS 64 -1.405 -18.774 10.223 342 HE1 HIS 64 1HE HIS 64 -3.914 -21.831 8.687 343 HE2 HIS 64 2HE HIS 64 -3.698 -19.963 10.363 344 H PHE 65 H PHE 65 3.558 -18.568 9.150 345 HA PHE 65 HA PHE 65 5.577 -18.696 8.048 346 HB2 PHE 65 2HB PHE 65 5.411 -20.559 9.927 347 HB3 PHE 65 1HB PHE 65 5.557 -21.638 8.535 348 HD1 PHE 65 1HD PHE 65 7.170 -18.559 9.899 349 HD2 PHE 65 2HD PHE 65 7.665 -22.305 7.942 350 HE1 PHE 65 1HE PHE 65 9.611 -18.242 9.919 351 HE2 PHE 65 2HE PHE 65 10.106 -21.995 7.959 352 HZ PHE 65 HZ PHE 65 11.081 -19.962 8.948 353 H LYS 66 H LYS 66 3.461 -18.857 6.191 354 HA LYS 66 HA LYS 66 4.751 -20.499 4.126 355 HB2 LYS 66 2HB LYS 66 1.837 -20.464 4.865 356 HB3 LYS 66 1HB LYS 66 2.353 -20.890 3.239 357 HG2 LYS 66 2HG LYS 66 3.189 -22.890 3.876 358 HG3 LYS 66 1HG LYS 66 3.700 -22.296 5.458 359 HD2 LYS 66 2HD LYS 66 1.434 -22.383 6.275 360 HD3 LYS 66 1HD LYS 66 0.833 -22.809 4.671 361 HE2 LYS 66 2HE LYS 66 2.920 -24.563 5.817 362 HE3 LYS 66 1HE LYS 66 1.334 -24.620 6.585 363 HZ1 LYS 66 3HZ LYS 66 1.405 -26.256 4.875 364 HZ2 LYS 66 1HZ LYS 66 1.956 -25.138 3.730 365 HZ3 LYS 66 2HZ LYS 66 0.385 -25.016 4.344 366 H GLU 67 H GLU 67 2.375 -17.940 4.779 367 HA GLU 67 HA GLU 67 1.925 -15.977 3.729 368 HB2 GLU 67 2HB GLU 67 4.370 -15.636 3.945 369 HB3 GLU 67 1HB GLU 67 4.598 -16.405 2.380 370 HG2 GLU 67 2HG GLU 67 2.740 -14.426 1.874 371 HG3 GLU 67 1HG GLU 67 3.850 -13.683 3.025 372 H PHE 68 H PHE 68 0.177 -16.488 2.516 373 HA PHE 68 HA PHE 68 0.690 -17.288 -0.274 374 HB2 PHE 68 2HB PHE 68 -1.353 -18.255 1.681 375 HB3 PHE 68 1HB PHE 68 -1.796 -18.171 -0.020 376 HD1 PHE 68 2HD PHE 68 -0.409 -19.439 -1.694 377 HD2 PHE 68 1HD PHE 68 -0.042 -20.012 2.508 378 HE1 PHE 68 2HE PHE 68 0.689 -21.606 -2.089 379 HE2 PHE 68 1HE PHE 68 1.057 -22.178 2.120 380 HZ PHE 68 HZ PHE 68 1.423 -22.978 -0.181 381 H ASP 69 H ASP 69 0.710 -14.634 0.431 382 HA ASP 69 HA ASP 69 -1.605 -13.664 -1.038 383 HB2 ASP 69 2HB ASP 69 -1.484 -13.467 1.778 384 HB3 ASP 69 1HB ASP 69 -1.163 -11.852 1.152 385 H LYS 70 H LYS 70 -1.055 -12.123 -2.440 386 HA LYS 70 HA LYS 70 1.566 -10.818 -2.104 387 HB2 LYS 70 2HB LYS 70 0.782 -12.403 -4.179 388 HB3 LYS 70 1HB LYS 70 0.341 -10.813 -4.787 389 HG2 LYS 70 2HG LYS 70 2.742 -10.147 -4.087 390 HG3 LYS 70 1HG LYS 70 3.040 -11.886 -4.091 391 HD2 LYS 70 2HD LYS 70 1.684 -11.430 -6.467 392 HD3 LYS 70 1HD LYS 70 2.761 -10.040 -6.317 393 HE2 LYS 70 2HE LYS 70 3.864 -12.750 -5.780 394 HE3 LYS 70 1HE LYS 70 3.551 -12.291 -7.454 395 HZ1 LYS 70 3HZ LYS 70 5.763 -11.685 -7.001 396 HZ2 LYS 70 1HZ LYS 70 5.366 -10.976 -5.517 397 HZ3 LYS 70 2HZ LYS 70 4.892 -10.236 -6.962 398 H ILE 71 H ILE 71 1.705 -8.605 -2.290 399 HA ILE 71 HA ILE 71 -0.785 -7.162 -2.888 400 HB ILE 71 HB ILE 71 1.065 -6.526 -0.589 401 HG12 ILE 71 2HG1 ILE 71 -1.683 -6.971 0.124 402 HG13 ILE 71 1HG1 ILE 71 -1.082 -8.352 -0.785 403 HG21 ILE 71 1HG2 ILE 71 -1.405 -5.152 -1.626 404 HG22 ILE 71 2HG2 ILE 71 0.219 -4.481 -1.466 405 HG23 ILE 71 3HG2 ILE 71 -0.726 -4.857 -0.025 406 HD11 ILE 71 3HD1 ILE 71 -0.615 -7.640 1.936 407 HD12 ILE 71 1HD1 ILE 71 0.920 -7.691 1.068 408 HD13 ILE 71 2HD1 ILE 71 -0.142 -9.099 1.067 409 H SER 72 H SER 72 -0.606 -5.387 -4.079 410 HA SER 72 HA SER 72 2.030 -4.205 -4.546 411 HB2 SER 72 2HB SER 72 1.958 -5.550 -6.446 412 HB3 SER 72 1HB SER 72 0.207 -5.418 -6.596 413 HG SER 72 HG SER 72 0.985 -4.110 -8.155 414 H TYR 73 H TYR 73 1.756 -2.106 -5.871 415 HA TYR 73 HA TYR 73 -0.817 -0.818 -5.600 416 HB2 TYR 73 2HB TYR 73 -0.162 0.902 -4.082 417 HB3 TYR 73 1HB TYR 73 0.273 -0.626 -3.334 418 HD1 TYR 73 1HD TYR 73 2.768 -1.414 -3.895 419 HD2 TYR 73 2HD TYR 73 1.385 2.608 -4.018 420 HE1 TYR 73 1HE TYR 73 5.079 -0.616 -3.625 421 HE2 TYR 73 2HE TYR 73 3.691 3.416 -3.748 422 HH TYR 73 HH TYR 73 5.977 2.626 -4.125 423 H ASP 74 H ASP 74 -0.953 1.200 -6.685 424 HA ASP 74 HA ASP 74 1.290 2.361 -8.008 425 HB2 ASP 74 2HB ASP 74 0.643 0.189 -9.327 426 HB3 ASP 74 1HB ASP 74 -0.680 1.179 -9.934 427 H ILE 75 H ILE 75 0.544 4.074 -9.611 428 HA ILE 75 HA ILE 75 -1.976 5.257 -8.641 429 HB ILE 75 HB ILE 75 -1.017 7.456 -9.220 430 HG12 ILE 75 2HG1 ILE 75 1.758 6.581 -9.304 431 HG13 ILE 75 1HG1 ILE 75 0.833 5.948 -10.662 432 HG21 ILE 75 1HG2 ILE 75 -0.797 6.311 -6.944 433 HG22 ILE 75 2HG2 ILE 75 0.251 7.690 -7.271 434 HG23 ILE 75 3HG2 ILE 75 0.891 6.051 -7.382 435 HD11 ILE 75 3HD1 ILE 75 0.059 8.309 -11.075 436 HD12 ILE 75 1HD1 ILE 75 1.766 7.986 -11.375 437 HD13 ILE 75 2HD1 ILE 75 1.267 8.809 -9.902 438 H SER 76 H SER 76 -2.789 6.984 -10.311 439 HA SER 76 HA SER 76 -2.287 6.617 -13.053 440 HB2 SER 76 2HB SER 76 -3.611 4.447 -12.126 441 HB3 SER 76 1HB SER 76 -4.972 5.483 -12.533 442 HG SER 76 HG SER 76 -2.986 4.399 -14.193 443 H THR 77 H THR 77 -4.158 7.528 -14.410 444 HA THR 77 HA THR 77 -5.479 9.296 -14.941 445 HB THR 77 HB THR 77 -7.301 9.783 -13.561 446 HG1 THR 77 1HG THR 77 -5.840 8.935 -11.290 447 HG21 THR 77 3HG2 THR 77 -8.003 7.719 -12.443 448 HG22 THR 77 1HG2 THR 77 -6.379 7.066 -12.669 449 HG23 THR 77 2HG2 THR 77 -7.387 7.434 -14.069 450 HA PRO 78 HA PRO 78 -3.093 12.858 -13.889 451 HB2 PRO 78 2HB PRO 78 -4.667 14.816 -14.892 452 HB3 PRO 78 1HB PRO 78 -3.765 13.699 -15.927 453 HG2 PRO 78 2HG PRO 78 -6.648 13.633 -15.137 454 HG3 PRO 78 1HG PRO 78 -5.914 13.351 -16.728 455 HD2 PRO 78 2HD PRO 78 -6.703 11.335 -15.085 456 HD3 PRO 78 1HD PRO 78 -5.344 11.185 -16.218 457 H ILE 79 H ILE 79 -6.231 12.313 -12.617 458 HA ILE 79 HA ILE 79 -6.401 14.686 -11.026 459 HB ILE 79 HB ILE 79 -8.398 13.413 -11.747 460 HG12 ILE 79 2HG1 ILE 79 -9.632 13.656 -9.680 461 HG13 ILE 79 1HG1 ILE 79 -8.149 13.561 -8.739 462 HG21 ILE 79 1HG2 ILE 79 -8.368 11.205 -11.553 463 HG22 ILE 79 2HG2 ILE 79 -8.653 11.432 -9.826 464 HG23 ILE 79 3HG2 ILE 79 -7.005 11.256 -10.428 465 HD11 ILE 79 3HD1 ILE 79 -9.405 15.854 -9.545 466 HD12 ILE 79 1HD1 ILE 79 -8.106 15.682 -10.727 467 HD13 ILE 79 2HD1 ILE 79 -7.734 15.732 -8.999 468 H ASN 80 H ASN 80 -4.405 12.057 -10.798 469 HA ASN 80 HA ASN 80 -2.930 11.411 -9.193 470 HB2 ASN 80 2HB ASN 80 -3.115 13.875 -8.499 471 HB3 ASN 80 1HB ASN 80 -4.223 13.314 -7.251 472 HD21 ASN 80 1HD2 ASN 80 -3.052 13.627 -5.459 473 HD22 ASN 80 2HD2 ASN 80 -1.518 12.898 -5.149 474 H PHE 81 H PHE 81 -5.021 9.817 -9.626 475 HA PHE 81 HA PHE 81 -6.345 9.199 -7.121 476 HB2 PHE 81 2HB PHE 81 -7.102 8.937 -9.750 477 HB3 PHE 81 1HB PHE 81 -6.665 7.288 -9.326 478 HD1 PHE 81 2HD PHE 81 -7.595 6.624 -6.864 479 HD2 PHE 81 1HD PHE 81 -9.305 9.476 -9.512 480 HE1 PHE 81 2HE PHE 81 -9.778 6.330 -5.766 481 HE2 PHE 81 1HE PHE 81 -11.488 9.187 -8.416 482 HZ PHE 81 HZ PHE 81 -11.728 7.613 -6.542 483 H LEU 82 H LEU 82 -5.814 7.578 -5.769 484 HA LEU 82 HA LEU 82 -3.358 6.115 -6.337 485 HB2 LEU 82 2HB LEU 82 -4.974 6.619 -3.862 486 HB3 LEU 82 1HB LEU 82 -3.767 5.347 -3.893 487 HG LEU 82 HG LEU 82 -2.774 7.289 -2.914 488 HD11 LEU 82 1HD1 LEU 82 -1.592 7.557 -5.602 489 HD12 LEU 82 2HD1 LEU 82 -1.654 5.925 -4.937 490 HD13 LEU 82 3HD1 LEU 82 -0.828 7.206 -4.052 491 HD21 LEU 82 3HD2 LEU 82 -4.499 8.756 -4.363 492 HD22 LEU 82 1HD2 LEU 82 -3.031 8.988 -5.312 493 HD23 LEU 82 2HD2 LEU 82 -3.055 9.418 -3.603 494 H CYS 83 H CYS 83 -3.828 4.434 -7.662 495 HA CYS 83 HA CYS 83 -6.088 2.701 -7.008 496 HB2 CYS 83 2HB CYS 83 -5.562 1.621 -9.200 497 HB3 CYS 83 1HB CYS 83 -5.954 3.332 -9.326 498 HG CYS 83 HG CYS 83 -3.386 2.064 -10.215 499 H ILE 84 H ILE 84 -5.468 1.441 -5.314 500 HA ILE 84 HA ILE 84 -2.880 0.144 -5.287 501 HB ILE 84 HB ILE 84 -5.220 0.170 -3.409 502 HG12 ILE 84 2HG1 ILE 84 -3.186 1.867 -3.589 503 HG13 ILE 84 1HG1 ILE 84 -3.888 1.422 -2.038 504 HG21 ILE 84 1HG2 ILE 84 -3.064 -1.863 -3.554 505 HG22 ILE 84 2HG2 ILE 84 -4.751 -2.036 -3.073 506 HG23 ILE 84 3HG2 ILE 84 -3.588 -1.307 -1.964 507 HD11 ILE 84 3HD1 ILE 84 -1.275 1.372 -2.524 508 HD12 ILE 84 1HD1 ILE 84 -1.688 -0.267 -3.026 509 HD13 ILE 84 2HD1 ILE 84 -2.065 0.275 -1.391 510 H PHE 85 H PHE 85 -2.451 -1.888 -5.936 511 HA PHE 85 HA PHE 85 -4.729 -3.595 -6.687 512 HB2 PHE 85 2HB PHE 85 -2.663 -2.553 -8.351 513 HB3 PHE 85 1HB PHE 85 -2.431 -4.295 -8.229 514 HD1 PHE 85 1HD PHE 85 -5.220 -1.859 -8.725 515 HD2 PHE 85 2HD PHE 85 -3.486 -5.599 -9.783 516 HE1 PHE 85 1HE PHE 85 -6.999 -2.208 -10.389 517 HE2 PHE 85 2HE PHE 85 -5.261 -5.955 -11.449 518 HZ PHE 85 HZ PHE 85 -7.020 -4.258 -11.755 519 H ILE 86 H ILE 86 -4.787 -5.020 -5.049 520 HA ILE 86 HA ILE 86 -2.279 -6.304 -4.216 521 HB ILE 86 HB ILE 86 -3.411 -5.412 -2.335 522 HG12 ILE 86 2HG1 ILE 86 -4.052 -8.368 -2.470 523 HG13 ILE 86 1HG1 ILE 86 -2.500 -7.677 -2.008 524 HG21 ILE 86 1HG2 ILE 86 -5.584 -5.013 -3.222 525 HG22 ILE 86 2HG2 ILE 86 -5.764 -6.029 -1.792 526 HG23 ILE 86 3HG2 ILE 86 -5.891 -6.740 -3.400 527 HD11 ILE 86 3HD1 ILE 86 -3.631 -6.571 -0.098 528 HD12 ILE 86 1HD1 ILE 86 -3.673 -8.334 -0.037 529 HD13 ILE 86 2HD1 ILE 86 -5.107 -7.435 -0.531 530 HA PRO 87 HA PRO 87 -4.019 -9.709 -6.680 531 HB2 PRO 87 2HB PRO 87 -1.332 -10.759 -6.833 532 HB3 PRO 87 1HB PRO 87 -2.310 -10.048 -8.121 533 HG2 PRO 87 2HG PRO 87 -0.051 -8.886 -7.093 534 HG3 PRO 87 1HG PRO 87 -1.367 -7.986 -7.867 535 HD2 PRO 87 2HD PRO 87 -0.787 -8.374 -4.956 536 HD3 PRO 87 1HD PRO 87 -1.353 -6.925 -5.811 537 H THR 88 H THR 88 -5.031 -11.197 -5.465 538 HA THR 88 HA THR 88 -3.490 -13.174 -4.055 539 HB THR 88 HB THR 88 -3.631 -11.390 -2.362 540 HG1 THR 88 1HG THR 88 -3.720 -13.597 -1.712 541 HG21 THR 88 3HG2 THR 88 -6.347 -11.201 -3.230 542 HG22 THR 88 1HG2 THR 88 -5.443 -10.153 -2.137 543 HG23 THR 88 2HG2 THR 88 -6.287 -11.566 -1.505 544 H LEU 89 H LEU 89 -5.346 -14.451 -2.600 545 HA LEU 89 HA LEU 89 -7.546 -14.968 -4.492 546 HB2 LEU 89 2HB LEU 89 -5.734 -16.720 -4.434 547 HB3 LEU 89 1HB LEU 89 -6.186 -17.035 -2.769 548 HG LEU 89 HG LEU 89 -8.596 -17.292 -3.995 549 HD11 LEU 89 1HD1 LEU 89 -6.683 -18.577 -5.915 550 HD12 LEU 89 2HD1 LEU 89 -7.350 -16.969 -6.197 551 HD13 LEU 89 3HD1 LEU 89 -8.427 -18.360 -6.069 552 HD21 LEU 89 3HD2 LEU 89 -6.440 -19.228 -3.281 553 HD22 LEU 89 1HD2 LEU 89 -7.914 -19.811 -4.053 554 HD23 LEU 89 2HD2 LEU 89 -8.005 -18.953 -2.515 555 H PHE 90 H PHE 90 -9.173 -13.913 -3.457 556 HA PHE 90 HA PHE 90 -9.559 -13.780 -0.693 557 HB2 PHE 90 2HB PHE 90 -11.839 -13.037 -1.205 558 HB3 PHE 90 1HB PHE 90 -10.657 -12.228 -2.224 559 HD1 PHE 90 2HD PHE 90 -10.381 -13.009 -4.608 560 HD2 PHE 90 1HD PHE 90 -13.604 -14.267 -2.128 561 HE1 PHE 90 2HE PHE 90 -11.646 -13.693 -6.603 562 HE2 PHE 90 1HE PHE 90 -14.875 -14.949 -4.120 563 HZ PHE 90 HZ PHE 90 -13.897 -14.663 -6.362 564 H ASP 91 H ASP 91 -9.247 -15.846 0.129 565 HA ASP 91 HA ASP 91 -11.631 -17.390 0.403 566 HB2 ASP 91 2HB ASP 91 -10.458 -18.107 -1.837 567 HB3 ASP 91 1HB ASP 91 -9.372 -18.981 -0.755 568 H MET 92 H MET 92 -8.124 -18.040 0.561 569 HA MET 92 HA MET 92 -8.249 -19.444 2.991 570 HB2 MET 92 2HB MET 92 -6.357 -19.336 1.216 571 HB3 MET 92 1HB MET 92 -5.804 -17.926 2.122 572 HG2 MET 92 2HG MET 92 -4.719 -19.286 3.481 573 HG3 MET 92 1HG MET 92 -6.268 -19.921 4.028 574 HE1 MET 92 3HE MET 92 -2.898 -20.951 2.183 575 HE2 MET 92 1HE MET 92 -3.194 -22.545 2.878 576 HE3 MET 92 2HE MET 92 -3.337 -21.104 3.884 577 H ASN 93 H ASN 93 -7.227 -16.097 2.330 578 HA ASN 93 HA ASN 93 -7.508 -15.518 5.195 579 HB2 ASN 93 2HB ASN 93 -5.881 -14.316 2.995 580 HB3 ASN 93 1HB ASN 93 -6.368 -13.292 4.342 581 HD21 ASN 93 1HD2 ASN 93 -3.711 -14.051 3.624 582 HD22 ASN 93 2HD2 ASN 93 -3.053 -14.930 4.958 583 H ASN 94 H ASN 94 -9.857 -15.828 3.780 584 HA ASN 94 HA ASN 94 -10.811 -13.164 3.084 585 HB2 ASN 94 2HB ASN 94 -11.388 -15.545 1.985 586 HB3 ASN 94 1HB ASN 94 -12.684 -15.468 3.175 587 HD21 ASN 94 1HD2 ASN 94 -14.467 -14.877 2.186 588 HD22 ASN 94 2HD2 ASN 94 -14.621 -13.588 1.046 589 H MET 95 H MET 95 -10.054 -13.629 5.816 590 HA MET 95 HA MET 95 -12.671 -13.404 7.146 591 HB2 MET 95 2HB MET 95 -10.390 -15.020 7.766 592 HB3 MET 95 1HB MET 95 -10.635 -13.866 9.069 593 HG2 MET 95 2HG MET 95 -13.141 -14.669 8.816 594 HG3 MET 95 1HG MET 95 -12.351 -16.103 8.163 595 HE1 MET 95 3HE MET 95 -12.194 -13.470 10.724 596 HE2 MET 95 1HE MET 95 -10.825 -14.051 11.671 597 HE3 MET 95 2HE MET 95 -12.471 -14.327 12.240 598 H ASP 96 H ASP 96 -9.418 -12.080 6.859 599 HA ASP 96 HA ASP 96 -10.306 -9.457 7.482 600 HB2 ASP 96 2HB ASP 96 -9.980 -10.858 9.754 601 HB3 ASP 96 1HB ASP 96 -8.324 -10.306 9.521 602 H LEU 97 H LEU 97 -9.234 -8.752 5.697 603 HA LEU 97 HA LEU 97 -6.326 -8.652 5.898 604 HB2 LEU 97 2HB LEU 97 -7.747 -10.295 4.022 605 HB3 LEU 97 1HB LEU 97 -6.878 -9.044 3.155 606 HG LEU 97 HG LEU 97 -4.785 -9.741 4.236 607 HD11 LEU 97 1HD1 LEU 97 -6.649 -11.484 5.739 608 HD12 LEU 97 2HD1 LEU 97 -5.173 -10.674 6.268 609 HD13 LEU 97 3HD1 LEU 97 -5.074 -12.153 5.314 610 HD21 LEU 97 3HD2 LEU 97 -4.567 -11.925 3.106 611 HD22 LEU 97 1HD2 LEU 97 -5.338 -10.705 2.093 612 HD23 LEU 97 2HD2 LEU 97 -6.314 -11.952 2.869 613 H LEU 98 H LEU 98 -8.836 -7.818 3.503 614 HA LEU 98 HA LEU 98 -7.648 -5.384 2.750 615 HB2 LEU 98 2HB LEU 98 -9.752 -6.908 1.860 616 HB3 LEU 98 1HB LEU 98 -10.565 -5.488 2.491 617 HG LEU 98 HG LEU 98 -8.733 -4.228 1.044 618 HD11 LEU 98 1HD1 LEU 98 -7.614 -6.327 0.380 619 HD12 LEU 98 2HD1 LEU 98 -8.204 -5.396 -0.995 620 HD13 LEU 98 3HD1 LEU 98 -9.088 -6.820 -0.451 621 HD21 LEU 98 3HD2 LEU 98 -11.023 -3.821 0.679 622 HD22 LEU 98 1HD2 LEU 98 -11.308 -5.467 0.113 623 HD23 LEU 98 2HD2 LEU 98 -10.385 -4.340 -0.881 624 H LYS 99 H LYS 99 -9.579 -6.230 5.471 625 HA LYS 99 HA LYS 99 -10.841 -3.849 6.109 626 HB2 LYS 99 2HB LYS 99 -10.882 -6.173 7.283 627 HB3 LYS 99 1HB LYS 99 -9.550 -5.530 8.234 628 HG2 LYS 99 2HG LYS 99 -10.941 -4.398 9.532 629 HG3 LYS 99 1HG LYS 99 -11.703 -3.632 8.137 630 HD2 LYS 99 2HD LYS 99 -13.342 -5.254 7.977 631 HD3 LYS 99 1HD LYS 99 -12.377 -6.462 8.824 632 HE2 LYS 99 2HE LYS 99 -12.994 -4.102 10.436 633 HE3 LYS 99 1HE LYS 99 -14.417 -5.008 9.927 634 HZ1 LYS 99 3HZ LYS 99 -13.260 -7.032 10.798 635 HZ2 LYS 99 1HZ LYS 99 -13.713 -5.902 11.982 636 HZ3 LYS 99 2HZ LYS 99 -12.095 -6.011 11.478 637 H GLN 100 H GLN 100 -7.469 -4.688 6.316 638 HA GLN 100 HA GLN 100 -6.772 -2.481 8.030 639 HB2 GLN 100 2HB GLN 100 -5.399 -4.755 6.799 640 HB3 GLN 100 1HB GLN 100 -4.430 -3.287 6.808 641 HG2 GLN 100 2HG GLN 100 -4.501 -3.130 9.154 642 HG3 GLN 100 1HG GLN 100 -5.795 -4.321 9.270 643 HE21 GLN 100 1HE2 GLN 100 -5.311 -6.478 9.216 644 HE22 GLN 100 2HE2 GLN 100 -3.696 -7.089 9.271 645 H ALA 101 H ALA 101 -6.173 -3.285 4.615 646 HA ALA 101 HA ALA 101 -5.007 -0.862 3.868 647 HB1 ALA 101 1HB ALA 101 -4.713 -2.227 2.120 648 HB2 ALA 101 2HB ALA 101 -6.313 -1.699 1.599 649 HB3 ALA 101 3HB ALA 101 -6.134 -3.190 2.526 650 H LEU 102 H LEU 102 -8.357 -1.794 4.231 651 HA LEU 102 HA LEU 102 -9.451 0.494 2.917 652 HB2 LEU 102 2HB LEU 102 -10.464 -1.828 4.408 653 HB3 LEU 102 1HB LEU 102 -11.445 -0.383 4.562 654 HG LEU 102 HG LEU 102 -10.632 -1.535 1.899 655 HD11 LEU 102 1HD1 LEU 102 -11.955 -3.253 2.564 656 HD12 LEU 102 2HD1 LEU 102 -13.217 -2.141 2.031 657 HD13 LEU 102 3HD1 LEU 102 -12.824 -2.275 3.745 658 HD21 LEU 102 3HD2 LEU 102 -11.536 0.935 2.433 659 HD22 LEU 102 1HD2 LEU 102 -13.072 0.083 2.270 660 HD23 LEU 102 2HD2 LEU 102 -11.908 0.065 0.944 661 H LEU 103 H LEU 103 -8.526 -0.289 6.204 662 HA LEU 103 HA LEU 103 -9.821 1.915 7.433 663 HB2 LEU 103 2HB LEU 103 -7.921 -0.178 8.227 664 HB3 LEU 103 1HB LEU 103 -7.773 1.320 9.126 665 HG LEU 103 HG LEU 103 -9.248 -0.435 10.154 666 HD11 LEU 103 1HD1 LEU 103 -9.672 1.533 11.173 667 HD12 LEU 103 2HD1 LEU 103 -11.216 1.382 10.331 668 HD13 LEU 103 3HD1 LEU 103 -9.938 2.392 9.657 669 HD21 LEU 103 3HD2 LEU 103 -10.918 -1.349 9.015 670 HD22 LEU 103 1HD2 LEU 103 -10.396 -0.458 7.593 671 HD23 LEU 103 2HD2 LEU 103 -11.606 0.240 8.664 672 H ILE 104 H ILE 104 -6.803 1.524 5.774 673 HA ILE 104 HA ILE 104 -5.633 3.940 6.821 674 HB ILE 104 HB ILE 104 -4.759 2.334 4.419 675 HG12 ILE 104 2HG1 ILE 104 -4.854 0.978 6.493 676 HG13 ILE 104 1HG1 ILE 104 -3.209 1.199 5.906 677 HG21 ILE 104 1HG2 ILE 104 -3.470 4.158 4.153 678 HG22 ILE 104 2HG2 ILE 104 -2.521 3.443 5.457 679 HG23 ILE 104 3HG2 ILE 104 -3.707 4.697 5.815 680 HD11 ILE 104 3HD1 ILE 104 -2.874 2.966 7.573 681 HD12 ILE 104 1HD1 ILE 104 -3.287 1.417 8.306 682 HD13 ILE 104 2HD1 ILE 104 -4.507 2.683 8.178 683 H LEU 105 H LEU 105 -6.873 2.939 3.621 684 HA LEU 105 HA LEU 105 -6.573 5.399 2.350 685 HB2 LEU 105 2HB LEU 105 -8.095 4.603 0.688 686 HB3 LEU 105 1HB LEU 105 -7.106 3.256 1.219 687 HG LEU 105 HG LEU 105 -9.133 2.770 2.813 688 HD11 LEU 105 1HD1 LEU 105 -11.014 3.904 2.491 689 HD12 LEU 105 2HD1 LEU 105 -10.960 3.613 0.753 690 HD13 LEU 105 3HD1 LEU 105 -10.113 4.998 1.442 691 HD21 LEU 105 3HD2 LEU 105 -9.294 2.216 -0.147 692 HD22 LEU 105 1HD2 LEU 105 -10.048 1.282 1.146 693 HD23 LEU 105 2HD2 LEU 105 -8.290 1.325 0.998 694 H HIS 106 H HIS 106 -9.312 4.133 4.215 695 HA HIS 106 HA HIS 106 -10.995 6.363 3.776 696 HB2 HIS 106 2HB HIS 106 -11.300 3.877 4.921 697 HB3 HIS 106 1HB HIS 106 -11.407 4.952 6.317 698 HD1 HIS 106 1HD HIS 106 -12.736 5.867 2.914 699 HD2 HIS 106 2HD HIS 106 -14.134 4.726 6.654 700 HE1 HIS 106 1HE HIS 106 -15.223 6.218 2.834 701 HE2 HIS 106 2HE HIS 106 -16.064 5.433 5.079 702 H ASN 107 H ASN 107 -8.618 5.556 6.238 703 HA ASN 107 HA ASN 107 -9.185 7.653 8.025 704 HB2 ASN 107 2HB ASN 107 -6.933 5.785 7.575 705 HB3 ASN 107 1HB ASN 107 -6.555 7.261 8.457 706 HD21 ASN 107 1HD2 ASN 107 -6.509 6.853 10.535 707 HD22 ASN 107 2HD2 ASN 107 -7.642 5.885 11.412 708 H ASP 108 H ASP 108 -7.179 7.453 5.155 709 HA ASP 108 HA ASP 108 -5.863 9.927 5.462 710 HB2 ASP 108 2HB ASP 108 -6.353 8.082 3.159 711 HB3 ASP 108 1HB ASP 108 -5.694 9.677 2.854 712 H LEU 109 H LEU 109 -8.856 8.982 3.854 713 HA LEU 109 HA LEU 109 -9.387 11.611 2.838 714 HB2 LEU 109 2HB LEU 109 -10.496 8.983 2.562 715 HB3 LEU 109 1HB LEU 109 -11.779 10.112 2.952 716 HG LEU 109 HG LEU 109 -9.862 10.796 0.769 717 HD11 LEU 109 1HD1 LEU 109 -10.714 9.366 -0.748 718 HD12 LEU 109 2HD1 LEU 109 -12.313 9.375 -0.025 719 HD13 LEU 109 3HD1 LEU 109 -11.043 8.381 0.676 720 HD21 LEU 109 3HD2 LEU 109 -11.299 12.559 1.194 721 HD22 LEU 109 1HD2 LEU 109 -12.657 11.495 1.544 722 HD23 LEU 109 2HD2 LEU 109 -12.115 11.708 -0.118 723 H HIS 110 H HIS 110 -10.161 9.809 5.716 724 HA HIS 110 HA HIS 110 -12.194 11.635 6.618 725 HB2 HIS 110 2HB HIS 110 -12.055 9.169 7.208 726 HB3 HIS 110 1HB HIS 110 -10.723 9.588 8.280 727 HD1 HIS 110 1HD HIS 110 -14.317 10.767 7.762 728 HD2 HIS 110 2HD HIS 110 -11.577 10.031 10.798 729 HE1 HIS 110 1HE HIS 110 -15.559 11.207 9.903 730 HE2 HIS 110 2HE HIS 110 -13.849 10.850 11.720 731 H GLU 111 H GLU 111 -8.868 11.823 6.467 732 HA GLU 111 HA GLU 111 -8.001 12.826 8.875 733 HB2 GLU 111 2HB GLU 111 -6.798 12.493 6.545 734 HB3 GLU 111 1HB GLU 111 -7.117 14.212 6.378 735 HG2 GLU 111 2HG GLU 111 -5.165 14.474 7.416 736 HG3 GLU 111 1HG GLU 111 -6.064 14.093 8.879 737 H TYR 112 H TYR 112 -10.127 14.330 6.573 738 HA TYR 112 HA TYR 112 -10.317 16.658 8.347 739 HB2 TYR 112 2HB TYR 112 -9.972 16.613 5.367 740 HB3 TYR 112 1HB TYR 112 -10.889 17.924 6.120 741 HD1 TYR 112 2HD TYR 112 -9.668 19.121 8.122 742 HD2 TYR 112 1HD TYR 112 -7.690 16.853 5.118 743 HE1 TYR 112 2HE TYR 112 -7.583 20.300 8.626 744 HE2 TYR 112 1HE TYR 112 -5.585 18.032 5.613 745 HH TYR 112 HH TYR 112 -4.549 19.272 7.393 746 H VAL 113 H VAL 113 -12.061 16.054 5.338 747 HA VAL 113 HA VAL 113 -14.319 16.092 4.936 748 HB VAL 113 HB VAL 113 -13.861 13.725 5.324 749 HG11 VAL 113 1HG1 VAL 113 -14.498 14.378 8.186 750 HG12 VAL 113 2HG1 VAL 113 -13.005 13.704 7.536 751 HG13 VAL 113 3HG1 VAL 113 -14.477 12.741 7.547 752 HG21 VAL 113 3HG2 VAL 113 -16.367 13.490 6.552 753 HG22 VAL 113 1HG2 VAL 113 -16.015 13.508 4.825 754 HG23 VAL 113 2HG2 VAL 113 -16.412 15.011 5.662 755 H GLU 114 H GLU 114 -13.768 18.192 6.597 756 HA GLU 114 HA GLU 114 -15.990 18.141 8.520 757 HB2 GLU 114 2HB GLU 114 -13.406 18.582 9.159 758 HB3 GLU 114 1HB GLU 114 -13.895 20.228 8.790 759 HG2 GLU 114 2HG GLU 114 -15.723 18.722 10.538 760 HG3 GLU 114 1HG GLU 114 -14.137 19.066 11.213 Start of MODEL 5 1 H THR 26 H THR 26 -7.810 -17.699 -10.056 2 HA THR 26 HA THR 26 -6.431 -16.896 -7.623 3 HB THR 26 HB THR 26 -5.081 -15.227 -9.091 4 HG1 THR 26 1HG THR 26 -6.230 -15.987 -11.034 5 HG21 THR 26 3HG2 THR 26 -3.879 -16.854 -7.858 6 HG22 THR 26 1HG2 THR 26 -3.282 -16.907 -9.517 7 HG23 THR 26 2HG2 THR 26 -4.395 -18.147 -8.941 8 H SER 27 H SER 27 -6.936 -14.788 -6.948 9 HA SER 27 HA SER 27 -9.115 -13.523 -8.475 10 HB2 SER 27 2HB SER 27 -9.298 -14.522 -5.949 11 HB3 SER 27 1HB SER 27 -8.866 -12.846 -5.614 12 H LYS 28 H LYS 28 -9.341 -11.138 -7.990 13 HA LYS 28 HA LYS 28 -6.757 -9.842 -7.519 14 HB2 LYS 28 2HB LYS 28 -8.351 -9.806 -10.021 15 HB3 LYS 28 1HB LYS 28 -7.668 -8.271 -9.503 16 HG2 LYS 28 2HG LYS 28 -5.438 -9.349 -9.415 17 HG3 LYS 28 1HG LYS 28 -6.166 -10.816 -10.074 18 HD2 LYS 28 2HD LYS 28 -6.317 -9.956 -12.156 19 HD3 LYS 28 1HD LYS 28 -6.737 -8.346 -11.570 20 HE2 LYS 28 2HE LYS 28 -3.969 -9.539 -11.490 21 HE3 LYS 28 1HE LYS 28 -4.550 -8.437 -12.737 22 HZ1 LYS 28 3HZ LYS 28 -3.592 -6.951 -11.341 23 HZ2 LYS 28 1HZ LYS 28 -3.842 -7.892 -9.956 24 HZ3 LYS 28 2HZ LYS 28 -5.119 -7.000 -10.616 25 H GLN 29 H GLN 29 -7.013 -8.363 -5.985 26 HA GLN 29 HA GLN 29 -9.626 -7.017 -5.782 27 HB2 GLN 29 2HB GLN 29 -7.693 -7.334 -3.491 28 HB3 GLN 29 1HB GLN 29 -9.401 -6.901 -3.428 29 HG2 GLN 29 2HG GLN 29 -8.573 -9.565 -4.495 30 HG3 GLN 29 1HG GLN 29 -8.641 -9.285 -2.756 31 HE21 GLN 29 1HE2 GLN 29 -10.495 -9.712 -1.812 32 HE22 GLN 29 2HE2 GLN 29 -12.043 -9.763 -2.577 33 H GLU 30 H GLU 30 -9.702 -4.828 -5.497 34 HA GLU 30 HA GLU 30 -7.152 -3.383 -5.521 35 HB2 GLU 30 2HB GLU 30 -7.787 -2.018 -7.349 36 HB3 GLU 30 1HB GLU 30 -8.126 -3.673 -7.837 37 HG2 GLU 30 2HG GLU 30 -10.514 -3.240 -7.081 38 HG3 GLU 30 1HG GLU 30 -10.063 -1.538 -7.030 39 H LEU 31 H LEU 31 -7.107 -1.542 -4.343 40 HA LEU 31 HA LEU 31 -9.632 -0.720 -3.064 41 HB2 LEU 31 2HB LEU 31 -6.875 -0.387 -1.896 42 HB3 LEU 31 1HB LEU 31 -8.415 -0.148 -1.090 43 HG LEU 31 HG LEU 31 -8.661 -2.746 -1.773 44 HD11 LEU 31 1HD1 LEU 31 -6.476 -3.825 -1.232 45 HD12 LEU 31 2HD1 LEU 31 -5.717 -2.241 -1.398 46 HD13 LEU 31 3HD1 LEU 31 -6.515 -2.987 -2.783 47 HD21 LEU 31 3HD2 LEU 31 -7.791 -1.277 0.617 48 HD22 LEU 31 1HD2 LEU 31 -7.406 -2.998 0.615 49 HD23 LEU 31 2HD2 LEU 31 -9.076 -2.467 0.417 50 H ILE 32 H ILE 32 -10.315 1.175 -3.772 51 HA ILE 32 HA ILE 32 -8.529 3.030 -5.078 52 HB ILE 32 HB ILE 32 -11.456 3.425 -4.425 53 HG12 ILE 32 2HG1 ILE 32 -10.669 2.694 -7.175 54 HG13 ILE 32 1HG1 ILE 32 -10.483 1.412 -5.989 55 HG21 ILE 32 1HG2 ILE 32 -9.711 4.707 -6.524 56 HG22 ILE 32 2HG2 ILE 32 -10.197 5.457 -5.003 57 HG23 ILE 32 3HG2 ILE 32 -11.414 5.053 -6.215 58 HD11 ILE 32 3HD1 ILE 32 -12.826 2.238 -7.300 59 HD12 ILE 32 1HD1 ILE 32 -13.014 2.648 -5.594 60 HD13 ILE 32 2HD1 ILE 32 -12.640 0.986 -6.068 61 H LEU 33 H LEU 33 -7.509 4.671 -4.135 62 HA LEU 33 HA LEU 33 -8.635 5.843 -1.690 63 HB2 LEU 33 2HB LEU 33 -6.525 5.832 -0.563 64 HB3 LEU 33 1HB LEU 33 -6.891 4.187 -1.072 65 HG LEU 33 HG LEU 33 -5.393 5.192 -3.176 66 HD11 LEU 33 1HD1 LEU 33 -3.992 5.984 -0.640 67 HD12 LEU 33 2HD1 LEU 33 -4.881 7.134 -1.635 68 HD13 LEU 33 3HD1 LEU 33 -3.495 6.279 -2.306 69 HD21 LEU 33 3HD2 LEU 33 -5.247 2.949 -2.263 70 HD22 LEU 33 1HD2 LEU 33 -4.513 3.575 -0.787 71 HD23 LEU 33 2HD2 LEU 33 -3.647 3.690 -2.319 72 H VAL 34 H VAL 34 -7.082 7.825 -1.093 73 HA VAL 34 HA VAL 34 -6.070 9.217 -3.413 74 HB VAL 34 HB VAL 34 -8.387 10.435 -1.900 75 HG11 VAL 34 1HG1 VAL 34 -6.707 11.999 -2.825 76 HG12 VAL 34 2HG1 VAL 34 -8.299 12.190 -3.542 77 HG13 VAL 34 3HG1 VAL 34 -7.030 11.352 -4.428 78 HG21 VAL 34 3HG2 VAL 34 -9.643 10.148 -4.032 79 HG22 VAL 34 1HG2 VAL 34 -9.258 8.630 -3.218 80 HG23 VAL 34 2HG2 VAL 34 -8.324 9.143 -4.622 81 H LEU 35 H LEU 35 -4.308 10.181 -2.791 82 HA LEU 35 HA LEU 35 -4.083 11.094 -0.000 83 HB2 LEU 35 2HB LEU 35 -2.534 9.284 -1.369 84 HB3 LEU 35 1HB LEU 35 -1.604 10.771 -1.520 85 HG LEU 35 HG LEU 35 -2.052 10.888 1.100 86 HD11 LEU 35 1HD1 LEU 35 -1.609 8.331 1.740 87 HD12 LEU 35 2HD1 LEU 35 -2.646 8.095 0.327 88 HD13 LEU 35 3HD1 LEU 35 -3.212 9.046 1.700 89 HD21 LEU 35 3HD2 LEU 35 0.051 8.938 0.471 90 HD22 LEU 35 1HD2 LEU 35 0.153 10.506 1.272 91 HD23 LEU 35 2HD2 LEU 35 0.095 10.420 -0.487 92 H LYS 36 H LYS 36 -4.686 13.208 -0.158 93 HA LYS 36 HA LYS 36 -2.917 14.940 -1.713 94 HB2 LYS 36 2HB LYS 36 -5.326 14.413 -2.737 95 HB3 LYS 36 1HB LYS 36 -5.790 15.702 -1.639 96 HG2 LYS 36 2HG LYS 36 -4.015 17.115 -2.697 97 HG3 LYS 36 1HG LYS 36 -3.811 15.843 -3.898 98 HD2 LYS 36 2HD LYS 36 -6.459 17.170 -3.326 99 HD3 LYS 36 1HD LYS 36 -5.334 17.739 -4.565 100 HE2 LYS 36 2HE LYS 36 -6.716 16.370 -5.802 101 HE3 LYS 36 1HE LYS 36 -5.415 15.259 -5.374 102 HZ1 LYS 36 3HZ LYS 36 -7.600 15.383 -3.481 103 HZ2 LYS 36 1HZ LYS 36 -6.759 14.041 -4.081 104 HZ3 LYS 36 2HZ LYS 36 -8.002 14.749 -4.990 105 H GLY 37 H GLY 37 -2.600 16.999 -0.840 106 HA2 GLY 37 2HA GLY 37 -3.260 18.737 0.728 107 HA3 GLY 37 1HA GLY 37 -3.847 17.470 1.795 108 H GLU 38 H GLU 38 -1.502 15.778 1.373 109 HA GLU 38 HA GLU 38 0.093 16.674 3.486 110 HB2 GLU 38 2HB GLU 38 0.167 14.456 1.544 111 HB3 GLU 38 1HB GLU 38 1.735 14.929 2.176 112 HG2 GLU 38 2HG GLU 38 0.166 14.835 4.431 113 HG3 GLU 38 1HG GLU 38 -0.440 13.493 3.455 114 H LEU 39 H LEU 39 1.150 16.284 0.097 115 HA LEU 39 HA LEU 39 2.412 18.875 0.114 116 HB2 LEU 39 2HB LEU 39 3.939 16.352 0.422 117 HB3 LEU 39 1HB LEU 39 4.593 17.542 -0.690 118 HG LEU 39 HG LEU 39 3.841 18.736 1.856 119 HD11 LEU 39 1HD1 LEU 39 5.460 16.265 1.852 120 HD12 LEU 39 2HD1 LEU 39 4.473 16.978 3.128 121 HD13 LEU 39 3HD1 LEU 39 6.082 17.623 2.797 122 HD21 LEU 39 3HD2 LEU 39 6.083 18.758 -0.076 123 HD22 LEU 39 1HD2 LEU 39 6.451 19.218 1.587 124 HD23 LEU 39 2HD2 LEU 39 5.220 20.097 0.679 125 H ASP 40 H ASP 40 3.200 19.512 -1.974 126 HA ASP 40 HA ASP 40 1.835 18.069 -4.132 127 HB2 ASP 40 2HB ASP 40 2.287 20.199 -5.426 128 HB3 ASP 40 1HB ASP 40 1.210 20.360 -4.051 129 H LEU 41 H LEU 41 4.344 17.122 -3.020 130 HA LEU 41 HA LEU 41 5.849 16.988 -5.504 131 HB2 LEU 41 2HB LEU 41 6.879 18.135 -2.954 132 HB3 LEU 41 1HB LEU 41 7.975 17.238 -3.984 133 HG LEU 41 HG LEU 41 6.404 19.325 -5.348 134 HD11 LEU 41 1HD1 LEU 41 8.649 20.123 -3.508 135 HD12 LEU 41 2HD1 LEU 41 6.944 20.346 -3.130 136 HD13 LEU 41 3HD1 LEU 41 7.649 21.175 -4.518 137 HD21 LEU 41 3HD2 LEU 41 9.150 18.168 -5.414 138 HD22 LEU 41 1HD2 LEU 41 8.874 19.772 -6.104 139 HD23 LEU 41 2HD2 LEU 41 7.986 18.383 -6.721 140 H HIS 42 H HIS 42 6.153 14.904 -5.910 141 HA HIS 42 HA HIS 42 6.537 12.678 -5.661 142 HB2 HIS 42 2HB HIS 42 8.480 13.772 -4.254 143 HB3 HIS 42 1HB HIS 42 7.596 13.089 -2.893 144 HD1 HIS 42 1HD HIS 42 7.928 11.358 -6.222 145 HD2 HIS 42 2HD HIS 42 9.398 11.070 -2.345 146 HE1 HIS 42 1HE HIS 42 9.166 9.169 -6.134 147 HE2 HIS 42 2HE HIS 42 10.121 9.060 -3.804 148 H SER 43 H SER 43 4.950 11.275 -5.367 149 HA SER 43 HA SER 43 2.855 11.701 -3.505 150 HB2 SER 43 2HB SER 43 3.567 9.544 -5.454 151 HB3 SER 43 1HB SER 43 2.336 9.212 -4.237 152 HG SER 43 HG SER 43 1.475 10.080 -6.194 153 H LYS 44 H LYS 44 2.716 11.149 -1.438 154 HA LYS 44 HA LYS 44 4.830 9.617 -0.205 155 HB2 LYS 44 2HB LYS 44 2.350 10.877 0.980 156 HB3 LYS 44 1HB LYS 44 3.653 10.146 1.907 157 HG2 LYS 44 2HG LYS 44 4.234 12.364 -0.004 158 HG3 LYS 44 1HG LYS 44 3.584 12.714 1.600 159 HD2 LYS 44 2HD LYS 44 5.513 11.111 2.380 160 HD3 LYS 44 1HD LYS 44 6.224 11.559 0.828 161 HE2 LYS 44 2HE LYS 44 5.457 13.985 1.772 162 HE3 LYS 44 1HE LYS 44 5.864 13.152 3.272 163 HZ1 LYS 44 3HZ LYS 44 7.610 13.753 0.969 164 HZ2 LYS 44 1HZ LYS 44 8.000 12.513 2.054 165 HZ3 LYS 44 2HZ LYS 44 7.849 14.107 2.602 166 H ASN 45 H ASN 45 1.621 9.048 -1.335 167 HA ASN 45 HA ASN 45 0.774 6.939 0.249 168 HB2 ASN 45 2HB ASN 45 -0.552 8.058 -1.565 169 HB3 ASN 45 1HB ASN 45 0.375 7.134 -2.740 170 HD21 ASN 45 1HD2 ASN 45 -0.671 5.445 -3.461 171 HD22 ASN 45 2HD2 ASN 45 -1.774 4.463 -2.564 172 H MET 46 H MET 46 3.104 6.957 -2.380 173 HA MET 46 HA MET 46 3.342 4.275 -2.941 174 HB2 MET 46 2HB MET 46 4.578 6.228 -4.008 175 HB3 MET 46 1HB MET 46 5.722 6.104 -2.672 176 HG2 MET 46 2HG MET 46 5.858 3.603 -3.416 177 HG3 MET 46 1HG MET 46 5.243 4.239 -4.939 178 HE1 MET 46 3HE MET 46 6.630 4.433 -6.656 179 HE2 MET 46 1HE MET 46 7.841 3.282 -6.089 180 HE3 MET 46 2HE MET 46 8.344 4.863 -6.695 181 H LYS 47 H LYS 47 5.483 6.000 -0.677 182 HA LYS 47 HA LYS 47 6.619 3.737 0.473 183 HB2 LYS 47 2HB LYS 47 7.534 5.995 0.750 184 HB3 LYS 47 1HB LYS 47 6.156 6.440 1.747 185 HG2 LYS 47 2HG LYS 47 7.379 4.081 2.807 186 HG3 LYS 47 1HG LYS 47 8.597 5.323 2.567 187 HD2 LYS 47 2HD LYS 47 7.500 6.831 3.986 188 HD3 LYS 47 1HD LYS 47 5.984 5.932 3.910 189 HE2 LYS 47 2HE LYS 47 6.930 4.140 5.214 190 HE3 LYS 47 1HE LYS 47 8.516 4.909 5.188 191 HZ1 LYS 47 3HZ LYS 47 7.441 5.326 7.281 192 HZ2 LYS 47 1HZ LYS 47 6.071 5.954 6.511 193 HZ3 LYS 47 2HZ LYS 47 7.551 6.782 6.427 194 H ASN 48 H ASN 48 3.516 5.178 0.961 195 HA ASN 48 HA ASN 48 2.957 4.142 3.534 196 HB2 ASN 48 2HB ASN 48 1.695 5.896 1.901 197 HB3 ASN 48 1HB ASN 48 0.696 4.467 1.655 198 HD21 ASN 48 1HD2 ASN 48 0.001 3.357 3.690 199 HD22 ASN 48 2HD2 ASN 48 -0.478 4.359 5.009 200 H VAL 49 H VAL 49 2.213 2.963 0.262 201 HA VAL 49 HA VAL 49 0.855 0.634 1.091 202 HB VAL 49 HB VAL 49 2.405 0.932 -1.480 203 HG11 VAL 49 1HG1 VAL 49 -0.096 -0.449 -1.687 204 HG12 VAL 49 2HG1 VAL 49 0.871 -1.169 -0.403 205 HG13 VAL 49 3HG1 VAL 49 1.529 -1.035 -2.032 206 HG21 VAL 49 3HG2 VAL 49 1.040 2.869 -1.358 207 HG22 VAL 49 1HG2 VAL 49 -0.333 1.948 -0.744 208 HG23 VAL 49 2HG2 VAL 49 0.201 1.731 -2.411 209 H ILE 50 H ILE 50 4.251 1.329 0.498 210 HA ILE 50 HA ILE 50 5.207 -1.313 0.510 211 HB ILE 50 HB ILE 50 6.670 1.132 1.491 212 HG12 ILE 50 2HG1 ILE 50 6.491 -0.023 -1.298 213 HG13 ILE 50 1HG1 ILE 50 5.762 1.487 -0.762 214 HG21 ILE 50 1HG2 ILE 50 7.496 -1.638 0.780 215 HG22 ILE 50 2HG2 ILE 50 8.027 -0.615 2.106 216 HG23 ILE 50 3HG2 ILE 50 8.606 -0.310 0.469 217 HD11 ILE 50 3HD1 ILE 50 8.715 1.015 -0.609 218 HD12 ILE 50 1HD1 ILE 50 7.836 2.544 -0.566 219 HD13 ILE 50 2HD1 ILE 50 7.932 1.621 -2.070 220 H ASN 51 H ASN 51 4.709 1.014 3.129 221 HA ASN 51 HA ASN 51 5.730 -0.717 5.161 222 HB2 ASN 51 2HB ASN 51 5.521 1.861 5.182 223 HB3 ASN 51 1HB ASN 51 3.857 1.579 5.677 224 HD21 ASN 51 1HD2 ASN 51 4.173 2.513 7.682 225 HD22 ASN 51 2HD2 ASN 51 5.081 1.738 8.929 226 H ASN 52 H ASN 52 2.500 0.132 3.994 227 HA ASN 52 HA ASN 52 1.131 -1.421 5.959 228 HB2 ASN 52 2HB ASN 52 0.364 0.536 4.227 229 HB3 ASN 52 1HB ASN 52 -0.268 -0.894 3.415 230 HD21 ASN 52 1HD2 ASN 52 -2.140 -1.691 4.079 231 HD22 ASN 52 2HD2 ASN 52 -2.962 -1.246 5.532 232 H ALA 53 H ALA 53 1.566 -1.888 2.447 233 HA ALA 53 HA ALA 53 0.475 -4.413 2.224 234 HB1 ALA 53 1HB ALA 53 1.159 -3.043 0.307 235 HB2 ALA 53 2HB ALA 53 1.817 -4.677 0.207 236 HB3 ALA 53 3HB ALA 53 2.851 -3.339 0.705 237 H LYS 54 H LYS 54 3.587 -3.453 3.480 238 HA LYS 54 HA LYS 54 4.700 -6.098 3.503 239 HB2 LYS 54 2HB LYS 54 6.116 -4.074 3.413 240 HB3 LYS 54 1HB LYS 54 5.560 -3.625 5.021 241 HG2 LYS 54 2HG LYS 54 6.656 -6.325 4.883 242 HG3 LYS 54 1HG LYS 54 7.814 -5.065 4.451 243 HD2 LYS 54 2HD LYS 54 6.198 -4.454 6.820 244 HD3 LYS 54 1HD LYS 54 7.239 -5.869 6.998 245 HE2 LYS 54 2HE LYS 54 8.840 -3.963 5.752 246 HE3 LYS 54 1HE LYS 54 7.925 -3.061 6.959 247 HZ1 LYS 54 3HZ LYS 54 8.655 -5.177 8.385 248 HZ2 LYS 54 1HZ LYS 54 9.579 -3.770 8.286 249 HZ3 LYS 54 2HZ LYS 54 9.965 -5.097 7.318 250 H LYS 55 H LYS 55 3.090 -3.994 5.834 251 HA LYS 55 HA LYS 55 3.464 -5.584 8.117 252 HB2 LYS 55 2HB LYS 55 1.948 -3.248 7.389 253 HB3 LYS 55 1HB LYS 55 0.944 -4.328 8.347 254 HG2 LYS 55 2HG LYS 55 1.965 -3.705 10.207 255 HG3 LYS 55 1HG LYS 55 3.539 -4.134 9.536 256 HD2 LYS 55 2HD LYS 55 3.762 -1.866 10.009 257 HD3 LYS 55 1HD LYS 55 3.370 -1.881 8.289 258 HE2 LYS 55 2HE LYS 55 1.714 -0.469 8.759 259 HE3 LYS 55 1HE LYS 55 0.901 -1.812 9.559 260 HZ1 LYS 55 3HZ LYS 55 2.598 -0.967 11.463 261 HZ2 LYS 55 1HZ LYS 55 0.982 -0.483 11.338 262 HZ3 LYS 55 2HZ LYS 55 2.207 0.489 10.701 263 H ASN 56 H ASN 56 1.160 -5.738 5.493 264 HA ASN 56 HA ASN 56 -0.605 -7.607 6.726 265 HB2 ASN 56 2HB ASN 56 -0.185 -6.697 3.883 266 HB3 ASN 56 1HB ASN 56 -1.331 -7.980 4.284 267 HD21 ASN 56 1HD2 ASN 56 -0.821 -4.658 4.056 268 HD22 ASN 56 2HD2 ASN 56 -2.297 -4.128 4.779 269 H LEU 57 H LEU 57 1.880 -7.939 4.189 270 HA LEU 57 HA LEU 57 1.798 -10.649 3.769 271 HB2 LEU 57 2HB LEU 57 4.055 -8.676 3.754 272 HB3 LEU 57 1HB LEU 57 4.375 -10.382 3.464 273 HG LEU 57 HG LEU 57 2.199 -9.316 1.818 274 HD11 LEU 57 1HD1 LEU 57 3.148 -7.412 1.179 275 HD12 LEU 57 2HD1 LEU 57 4.417 -8.380 0.432 276 HD13 LEU 57 3HD1 LEU 57 4.626 -7.769 2.073 277 HD21 LEU 57 3HD2 LEU 57 4.649 -10.436 0.631 278 HD22 LEU 57 1HD2 LEU 57 2.957 -10.847 0.350 279 HD23 LEU 57 2HD2 LEU 57 3.799 -11.487 1.762 280 H GLU 58 H GLU 58 3.929 -9.007 6.107 281 HA GLU 58 HA GLU 58 4.927 -11.310 7.328 282 HB2 GLU 58 2HB GLU 58 4.488 -8.572 8.536 283 HB3 GLU 58 1HB GLU 58 5.498 -9.832 9.229 284 HG2 GLU 58 2HG GLU 58 6.552 -9.653 6.748 285 HG3 GLU 58 1HG GLU 58 6.026 -7.991 7.006 286 H LYS 59 H LYS 59 1.895 -9.658 7.708 287 HA LYS 59 HA LYS 59 1.109 -10.626 10.215 288 HB2 LYS 59 2HB LYS 59 -0.005 -8.901 8.555 289 HB3 LYS 59 1HB LYS 59 -0.897 -10.318 8.021 290 HG2 LYS 59 2HG LYS 59 -0.764 -9.464 10.898 291 HG3 LYS 59 1HG LYS 59 -2.009 -8.904 9.781 292 HD2 LYS 59 2HD LYS 59 -2.041 -11.622 9.399 293 HD3 LYS 59 1HD LYS 59 -1.715 -11.480 11.128 294 HE2 LYS 59 2HE LYS 59 -3.906 -9.898 9.829 295 HE3 LYS 59 1HE LYS 59 -4.167 -11.569 10.331 296 HZ1 LYS 59 3HZ LYS 59 -4.148 -11.012 12.498 297 HZ2 LYS 59 1HZ LYS 59 -4.567 -9.478 11.920 298 HZ3 LYS 59 2HZ LYS 59 -2.958 -9.823 12.313 299 H TYR 60 H TYR 60 0.998 -12.071 7.013 300 HA TYR 60 HA TYR 60 -0.505 -14.371 7.901 301 HB2 TYR 60 2HB TYR 60 1.024 -14.040 5.313 302 HB3 TYR 60 1HB TYR 60 -0.269 -15.192 5.650 303 HD1 TYR 60 2HD TYR 60 0.532 -11.705 4.871 304 HD2 TYR 60 1HD TYR 60 -2.591 -14.483 5.662 305 HE1 TYR 60 2HE TYR 60 -1.111 -10.094 4.004 306 HE2 TYR 60 1HE TYR 60 -4.243 -12.880 4.795 307 HH TYR 60 HH TYR 60 -3.592 -9.649 4.309 308 H PHE 61 H PHE 61 2.833 -13.474 7.476 309 HA PHE 61 HA PHE 61 3.834 -16.165 7.650 310 HB2 PHE 61 2HB PHE 61 4.908 -14.054 6.522 311 HB3 PHE 61 1HB PHE 61 5.539 -13.751 8.143 312 HD1 PHE 61 2HD PHE 61 6.713 -15.817 9.269 313 HD2 PHE 61 1HD PHE 61 6.148 -15.335 5.079 314 HE1 PHE 61 2HE PHE 61 8.560 -17.386 8.843 315 HE2 PHE 61 1HE PHE 61 7.993 -16.904 4.645 316 HZ PHE 61 HZ PHE 61 9.202 -17.932 6.529 317 H LYS 62 H LYS 62 3.189 -13.548 9.870 318 HA LYS 62 HA LYS 62 4.640 -14.844 12.025 319 HB2 LYS 62 2HB LYS 62 3.352 -12.217 11.600 320 HB3 LYS 62 1HB LYS 62 3.308 -12.829 13.249 321 HG2 LYS 62 2HG LYS 62 5.936 -13.156 12.130 322 HG3 LYS 62 1HG LYS 62 5.401 -11.481 11.984 323 HD2 LYS 62 2HD LYS 62 6.542 -11.750 14.085 324 HD3 LYS 62 1HD LYS 62 4.822 -11.509 14.399 325 HE2 LYS 62 2HE LYS 62 5.510 -13.262 15.825 326 HE3 LYS 62 1HE LYS 62 4.621 -14.024 14.508 327 HZ1 LYS 62 3HZ LYS 62 6.741 -15.143 15.143 328 HZ2 LYS 62 1HZ LYS 62 7.577 -13.795 14.554 329 HZ3 LYS 62 2HZ LYS 62 6.632 -14.728 13.507 330 H GLU 63 H GLU 63 1.368 -14.573 10.870 331 HA GLU 63 HA GLU 63 0.314 -15.732 13.335 332 HB2 GLU 63 2HB GLU 63 -0.718 -13.824 11.727 333 HB3 GLU 63 1HB GLU 63 -1.497 -15.252 11.045 334 HG2 GLU 63 2HG GLU 63 -2.724 -15.652 12.926 335 HG3 GLU 63 1HG GLU 63 -1.545 -14.893 13.994 336 H HIS 64 H HIS 64 0.420 -16.453 9.850 337 HA HIS 64 HA HIS 64 -0.379 -19.202 10.490 338 HB2 HIS 64 2HB HIS 64 -0.763 -17.475 8.093 339 HB3 HIS 64 1HB HIS 64 -0.650 -19.216 7.856 340 HD1 HIS 64 1HD HIS 64 -3.197 -17.045 7.774 341 HD2 HIS 64 2HD HIS 64 -2.483 -20.222 10.354 342 HE1 HIS 64 1HE HIS 64 -5.448 -17.678 8.700 343 HE2 HIS 64 2HE HIS 64 -4.978 -19.543 10.327 344 H PHE 65 H PHE 65 2.377 -17.700 10.312 345 HA PHE 65 HA PHE 65 4.528 -18.310 9.910 346 HB2 PHE 65 2HB PHE 65 3.531 -20.490 10.851 347 HB3 PHE 65 1HB PHE 65 3.585 -21.065 9.183 348 HD1 PHE 65 1HD PHE 65 5.972 -20.475 8.021 349 HD2 PHE 65 2HD PHE 65 5.283 -21.120 12.171 350 HE1 PHE 65 1HE PHE 65 8.337 -21.089 8.315 351 HE2 PHE 65 2HE PHE 65 7.646 -21.735 12.472 352 HZ PHE 65 HZ PHE 65 9.176 -21.720 10.542 353 H LYS 66 H LYS 66 2.710 -20.279 7.550 354 HA LYS 66 HA LYS 66 4.553 -19.844 5.457 355 HB2 LYS 66 2HB LYS 66 2.699 -20.729 3.998 356 HB3 LYS 66 1HB LYS 66 3.155 -21.769 5.339 357 HG2 LYS 66 2HG LYS 66 1.123 -20.150 6.346 358 HG3 LYS 66 1HG LYS 66 0.605 -20.583 4.715 359 HD2 LYS 66 2HD LYS 66 1.733 -22.829 6.204 360 HD3 LYS 66 1HD LYS 66 0.302 -22.133 6.967 361 HE2 LYS 66 2HE LYS 66 -0.307 -23.928 5.432 362 HE3 LYS 66 1HE LYS 66 -0.938 -22.377 4.878 363 HZ1 LYS 66 3HZ LYS 66 1.072 -24.097 3.680 364 HZ2 LYS 66 1HZ LYS 66 1.392 -22.437 3.606 365 HZ3 LYS 66 2HZ LYS 66 -0.038 -23.053 2.946 366 H GLU 67 H GLU 67 4.189 -18.689 3.453 367 HA GLU 67 HA GLU 67 3.043 -16.066 3.948 368 HB2 GLU 67 2HB GLU 67 4.183 -15.375 1.931 369 HB3 GLU 67 1HB GLU 67 5.293 -16.300 2.932 370 HG2 GLU 67 2HG GLU 67 4.863 -18.279 1.528 371 HG3 GLU 67 1HG GLU 67 3.831 -17.291 0.496 372 H PHE 68 H PHE 68 2.291 -15.220 1.465 373 HA PHE 68 HA PHE 68 0.280 -17.080 0.468 374 HB2 PHE 68 2HB PHE 68 -1.580 -15.706 0.870 375 HB3 PHE 68 1HB PHE 68 -0.666 -15.624 2.371 376 HD1 PHE 68 2HD PHE 68 1.294 -13.652 2.088 377 HD2 PHE 68 1HD PHE 68 -2.589 -13.727 0.350 378 HE1 PHE 68 2HE PHE 68 1.322 -11.197 1.929 379 HE2 PHE 68 1HE PHE 68 -2.569 -11.273 0.189 380 HZ PHE 68 HZ PHE 68 -0.612 -10.004 0.979 381 H ASP 69 H ASP 69 -1.131 -15.116 -1.061 382 HA ASP 69 HA ASP 69 0.420 -15.046 -3.380 383 HB2 ASP 69 2HB ASP 69 -2.199 -14.604 -2.827 384 HB3 ASP 69 1HB ASP 69 -1.657 -12.957 -3.140 385 H LYS 70 H LYS 70 0.128 -12.438 -4.400 386 HA LYS 70 HA LYS 70 2.100 -10.980 -2.765 387 HB2 LYS 70 2HB LYS 70 2.754 -11.965 -5.084 388 HB3 LYS 70 1HB LYS 70 1.835 -10.613 -5.731 389 HG2 LYS 70 2HG LYS 70 3.310 -9.035 -4.865 390 HG3 LYS 70 1HG LYS 70 4.001 -10.177 -3.710 391 HD2 LYS 70 2HD LYS 70 5.417 -11.068 -5.238 392 HD3 LYS 70 1HD LYS 70 4.266 -10.891 -6.564 393 HE2 LYS 70 2HE LYS 70 4.779 -8.574 -6.800 394 HE3 LYS 70 1HE LYS 70 5.727 -8.574 -5.314 395 HZ1 LYS 70 3HZ LYS 70 7.199 -8.627 -7.180 396 HZ2 LYS 70 1HZ LYS 70 6.403 -9.962 -7.850 397 HZ3 LYS 70 2HZ LYS 70 7.276 -10.131 -6.411 398 H ILE 71 H ILE 71 2.139 -8.590 -3.231 399 HA ILE 71 HA ILE 71 -0.572 -7.565 -3.739 400 HB ILE 71 HB ILE 71 1.250 -6.416 -1.633 401 HG12 ILE 71 2HG1 ILE 71 -1.140 -8.193 -1.169 402 HG13 ILE 71 1HG1 ILE 71 0.511 -8.798 -1.179 403 HG21 ILE 71 1HG2 ILE 71 -1.721 -6.104 -2.010 404 HG22 ILE 71 2HG2 ILE 71 -0.533 -4.987 -2.681 405 HG23 ILE 71 3HG2 ILE 71 -0.667 -5.186 -0.934 406 HD11 ILE 71 3HD1 ILE 71 -0.950 -7.430 0.906 407 HD12 ILE 71 1HD1 ILE 71 0.603 -6.665 0.569 408 HD13 ILE 71 2HD1 ILE 71 0.537 -8.373 0.998 409 H SER 72 H SER 72 -0.718 -5.518 -4.640 410 HA SER 72 HA SER 72 1.782 -4.257 -5.503 411 HB2 SER 72 2HB SER 72 0.370 -5.862 -7.203 412 HB3 SER 72 1HB SER 72 -0.320 -4.279 -7.561 413 HG SER 72 HG SER 72 1.804 -5.144 -8.604 414 H TYR 73 H TYR 73 1.402 -2.074 -6.456 415 HA TYR 73 HA TYR 73 -1.073 -0.743 -5.818 416 HB2 TYR 73 2HB TYR 73 -0.143 0.819 -4.201 417 HB3 TYR 73 1HB TYR 73 0.063 -0.827 -3.617 418 HD1 TYR 73 2HD TYR 73 2.384 -1.932 -4.274 419 HD2 TYR 73 1HD TYR 73 1.661 2.256 -4.077 420 HE1 TYR 73 2HE TYR 73 4.796 -1.536 -3.997 421 HE2 TYR 73 1HE TYR 73 4.071 2.663 -3.802 422 HH TYR 73 HH TYR 73 6.331 0.943 -4.590 423 H ASP 74 H ASP 74 -1.057 1.528 -6.514 424 HA ASP 74 HA ASP 74 1.189 2.525 -7.993 425 HB2 ASP 74 2HB ASP 74 -1.022 1.129 -9.384 426 HB3 ASP 74 1HB ASP 74 -0.507 2.659 -10.089 427 H ILE 75 H ILE 75 0.832 4.656 -8.865 428 HA ILE 75 HA ILE 75 -1.467 6.017 -7.621 429 HB ILE 75 HB ILE 75 -0.085 8.036 -7.454 430 HG12 ILE 75 2HG1 ILE 75 1.470 7.283 -9.353 431 HG13 ILE 75 1HG1 ILE 75 2.204 8.116 -7.993 432 HG21 ILE 75 1HG2 ILE 75 1.214 5.668 -6.119 433 HG22 ILE 75 2HG2 ILE 75 -0.265 6.457 -5.572 434 HG23 ILE 75 3HG2 ILE 75 1.254 7.338 -5.576 435 HD11 ILE 75 3HD1 ILE 75 2.950 5.670 -9.089 436 HD12 ILE 75 1HD1 ILE 75 2.188 5.277 -7.549 437 HD13 ILE 75 2HD1 ILE 75 3.544 6.402 -7.599 438 H SER 76 H SER 76 -2.630 7.455 -8.822 439 HA SER 76 HA SER 76 -1.877 7.689 -11.660 440 HB2 SER 76 2HB SER 76 -4.531 7.289 -10.324 441 HB3 SER 76 1HB SER 76 -4.455 8.122 -11.870 442 HG SER 76 HG SER 76 -4.126 6.283 -12.817 443 H THR 77 H THR 77 -0.751 9.610 -11.474 444 HA THR 77 HA THR 77 -0.461 11.854 -11.474 445 HB THR 77 HB THR 77 -3.295 12.587 -11.314 446 HG1 THR 77 1HG THR 77 -2.416 11.018 -13.501 447 HG21 THR 77 3HG2 THR 77 -2.063 14.282 -12.200 448 HG22 THR 77 1HG2 THR 77 -2.620 13.474 -13.666 449 HG23 THR 77 2HG2 THR 77 -0.991 13.190 -13.077 450 HA PRO 78 HA PRO 78 -0.729 12.948 -7.197 451 HB2 PRO 78 2HB PRO 78 0.216 15.466 -7.286 452 HB3 PRO 78 1HB PRO 78 1.250 14.064 -7.583 453 HG2 PRO 78 2HG PRO 78 -0.039 15.909 -9.551 454 HG3 PRO 78 1HG PRO 78 1.605 15.256 -9.540 455 HD2 PRO 78 2HD PRO 78 -0.400 14.223 -11.076 456 HD3 PRO 78 1HD PRO 78 0.957 13.264 -10.465 457 H ILE 79 H ILE 79 -2.262 14.952 -9.636 458 HA ILE 79 HA ILE 79 -4.071 16.037 -7.580 459 HB ILE 79 HB ILE 79 -3.703 17.099 -10.384 460 HG12 ILE 79 2HG1 ILE 79 -1.584 17.231 -9.108 461 HG13 ILE 79 1HG1 ILE 79 -2.264 18.820 -9.444 462 HG21 ILE 79 1HG2 ILE 79 -5.684 17.570 -8.538 463 HG22 ILE 79 2HG2 ILE 79 -5.258 18.621 -9.883 464 HG23 ILE 79 3HG2 ILE 79 -4.580 18.912 -8.283 465 HD11 ILE 79 3HD1 ILE 79 -2.228 19.297 -7.290 466 HD12 ILE 79 1HD1 ILE 79 -1.485 17.736 -6.968 467 HD13 ILE 79 2HD1 ILE 79 -3.242 17.903 -6.932 468 H ASN 80 H ASN 80 -4.416 13.390 -8.566 469 HA ASN 80 HA ASN 80 -7.047 13.718 -9.794 470 HB2 ASN 80 2HB ASN 80 -5.482 13.189 -11.623 471 HB3 ASN 80 1HB ASN 80 -4.989 11.724 -10.778 472 HD21 ASN 80 1HD2 ASN 80 -5.755 10.100 -11.931 473 HD22 ASN 80 2HD2 ASN 80 -7.378 9.921 -12.480 474 H PHE 81 H PHE 81 -5.940 10.482 -9.703 475 HA PHE 81 HA PHE 81 -7.017 10.077 -7.017 476 HB2 PHE 81 2HB PHE 81 -7.890 8.571 -9.491 477 HB3 PHE 81 1HB PHE 81 -8.319 8.126 -7.842 478 HD1 PHE 81 1HD PHE 81 -9.211 10.350 -6.486 479 HD2 PHE 81 2HD PHE 81 -9.574 9.572 -10.655 480 HE1 PHE 81 1HE PHE 81 -11.167 11.846 -6.592 481 HE2 PHE 81 2HE PHE 81 -11.531 11.068 -10.765 482 HZ PHE 81 HZ PHE 81 -12.322 12.204 -8.735 483 H LEU 82 H LEU 82 -6.689 7.738 -6.319 484 HA LEU 82 HA LEU 82 -4.148 6.699 -7.376 485 HB2 LEU 82 2HB LEU 82 -4.921 7.393 -4.604 486 HB3 LEU 82 1HB LEU 82 -4.026 5.904 -4.805 487 HG LEU 82 HG LEU 82 -2.149 7.045 -5.722 488 HD11 LEU 82 1HD1 LEU 82 -4.046 9.322 -5.996 489 HD12 LEU 82 2HD1 LEU 82 -2.934 8.651 -7.177 490 HD13 LEU 82 3HD1 LEU 82 -2.325 9.635 -5.848 491 HD21 LEU 82 3HD2 LEU 82 -2.030 9.004 -3.883 492 HD22 LEU 82 1HD2 LEU 82 -1.760 7.305 -3.519 493 HD23 LEU 82 2HD2 LEU 82 -3.336 8.035 -3.216 494 H CYS 83 H CYS 83 -3.964 4.468 -7.524 495 HA CYS 83 HA CYS 83 -6.333 2.920 -6.715 496 HB2 CYS 83 2HB CYS 83 -6.116 3.529 -9.234 497 HB3 CYS 83 1HB CYS 83 -4.866 2.291 -9.255 498 HG CYS 83 HG CYS 83 -6.689 0.540 -8.584 499 H ILE 84 H ILE 84 -6.004 0.881 -5.966 500 HA ILE 84 HA ILE 84 -3.205 -0.017 -5.753 501 HB ILE 84 HB ILE 84 -5.387 0.034 -3.710 502 HG12 ILE 84 2HG1 ILE 84 -2.930 1.347 -4.101 503 HG13 ILE 84 1HG1 ILE 84 -3.991 1.458 -2.702 504 HG21 ILE 84 1HG2 ILE 84 -4.077 -1.618 -2.349 505 HG22 ILE 84 2HG2 ILE 84 -3.186 -2.015 -3.819 506 HG23 ILE 84 3HG2 ILE 84 -4.925 -2.297 -3.739 507 HD11 ILE 84 3HD1 ILE 84 -1.595 0.905 -2.223 508 HD12 ILE 84 1HD1 ILE 84 -1.877 -0.654 -2.997 509 HD13 ILE 84 2HD1 ILE 84 -2.780 -0.214 -1.549 510 H PHE 85 H PHE 85 -2.770 -2.122 -6.244 511 HA PHE 85 HA PHE 85 -5.052 -3.860 -6.892 512 HB2 PHE 85 2HB PHE 85 -2.672 -3.180 -8.581 513 HB3 PHE 85 1HB PHE 85 -3.440 -4.757 -8.746 514 HD1 PHE 85 1HD PHE 85 -5.774 -4.923 -9.506 515 HD2 PHE 85 2HD PHE 85 -3.708 -1.204 -9.403 516 HE1 PHE 85 1HE PHE 85 -7.470 -3.944 -10.995 517 HE2 PHE 85 2HE PHE 85 -5.401 -0.218 -10.891 518 HZ PHE 85 HZ PHE 85 -7.285 -1.588 -11.689 519 H ILE 86 H ILE 86 -4.979 -5.366 -5.357 520 HA ILE 86 HA ILE 86 -2.372 -6.512 -4.623 521 HB ILE 86 HB ILE 86 -3.489 -5.662 -2.702 522 HG12 ILE 86 2HG1 ILE 86 -4.120 -8.607 -2.603 523 HG13 ILE 86 1HG1 ILE 86 -2.460 -8.019 -2.626 524 HG21 ILE 86 1HG2 ILE 86 -5.819 -6.920 -2.230 525 HG22 ILE 86 2HG2 ILE 86 -5.873 -6.804 -3.988 526 HG23 ILE 86 3HG2 ILE 86 -5.691 -5.346 -3.014 527 HD11 ILE 86 3HD1 ILE 86 -3.109 -6.617 -0.603 528 HD12 ILE 86 1HD1 ILE 86 -2.955 -8.359 -0.372 529 HD13 ILE 86 2HD1 ILE 86 -4.553 -7.627 -0.521 530 HA PRO 87 HA PRO 87 -4.020 -9.979 -7.089 531 HB2 PRO 87 2HB PRO 87 -1.273 -10.948 -7.022 532 HB3 PRO 87 1HB PRO 87 -2.258 -10.484 -8.412 533 HG2 PRO 87 2HG PRO 87 -0.132 -9.025 -7.574 534 HG3 PRO 87 1HG PRO 87 -1.551 -8.299 -8.352 535 HD2 PRO 87 2HD PRO 87 -0.828 -8.410 -5.450 536 HD3 PRO 87 1HD PRO 87 -1.538 -7.077 -6.383 537 H THR 88 H THR 88 -5.132 -11.201 -5.668 538 HA THR 88 HA THR 88 -3.736 -13.294 -4.282 539 HB THR 88 HB THR 88 -5.440 -11.487 -2.576 540 HG1 THR 88 1HG THR 88 -3.476 -10.575 -1.849 541 HG21 THR 88 3HG2 THR 88 -3.436 -12.584 -1.043 542 HG22 THR 88 1HG2 THR 88 -3.904 -13.899 -2.120 543 HG23 THR 88 2HG2 THR 88 -5.116 -13.116 -1.106 544 H LEU 89 H LEU 89 -5.383 -14.689 -3.021 545 HA LEU 89 HA LEU 89 -7.892 -14.764 -4.564 546 HB2 LEU 89 2HB LEU 89 -6.249 -16.618 -4.976 547 HB3 LEU 89 1HB LEU 89 -6.475 -17.110 -3.308 548 HG LEU 89 HG LEU 89 -9.050 -17.079 -4.161 549 HD11 LEU 89 1HD1 LEU 89 -7.511 -18.150 -6.508 550 HD12 LEU 89 2HD1 LEU 89 -8.197 -16.527 -6.471 551 HD13 LEU 89 3HD1 LEU 89 -9.254 -17.933 -6.350 552 HD21 LEU 89 3HD2 LEU 89 -8.977 -19.364 -3.914 553 HD22 LEU 89 1HD2 LEU 89 -7.509 -18.881 -3.062 554 HD23 LEU 89 2HD2 LEU 89 -7.408 -19.507 -4.708 555 H PHE 90 H PHE 90 -6.652 -14.177 -1.535 556 HA PHE 90 HA PHE 90 -7.453 -14.243 0.603 557 HB2 PHE 90 2HB PHE 90 -9.881 -13.481 0.744 558 HB3 PHE 90 1HB PHE 90 -8.770 -12.422 -0.115 559 HD1 PHE 90 2HD PHE 90 -8.895 -12.185 -2.533 560 HD2 PHE 90 1HD PHE 90 -11.649 -14.632 -0.402 561 HE1 PHE 90 2HE PHE 90 -10.379 -12.218 -4.496 562 HE2 PHE 90 1HE PHE 90 -13.138 -14.670 -2.361 563 HZ PHE 90 HZ PHE 90 -12.503 -13.462 -4.411 564 H ASP 91 H ASP 91 -7.199 -16.342 1.273 565 HA ASP 91 HA ASP 91 -9.642 -17.834 1.654 566 HB2 ASP 91 2HB ASP 91 -8.337 -18.465 -0.614 567 HB3 ASP 91 1HB ASP 91 -7.470 -19.505 0.516 568 H MET 92 H MET 92 -6.109 -17.805 1.976 569 HA MET 92 HA MET 92 -5.821 -19.676 3.997 570 HB2 MET 92 2HB MET 92 -4.185 -17.774 2.714 571 HB3 MET 92 1HB MET 92 -4.023 -17.467 4.444 572 HG2 MET 92 2HG MET 92 -2.418 -19.026 4.285 573 HG3 MET 92 1HG MET 92 -3.779 -20.138 4.432 574 HE1 MET 92 3HE MET 92 -0.699 -19.279 1.881 575 HE2 MET 92 1HE MET 92 -0.765 -21.039 1.805 576 HE3 MET 92 2HE MET 92 -0.831 -20.220 3.366 577 H ASN 93 H ASN 93 -5.640 -16.172 4.619 578 HA ASN 93 HA ASN 93 -6.055 -16.338 7.361 579 HB2 ASN 93 2HB ASN 93 -5.657 -14.295 5.499 580 HB3 ASN 93 1HB ASN 93 -7.200 -13.908 6.256 581 HD21 ASN 93 1HD2 ASN 93 -3.908 -14.926 7.084 582 HD22 ASN 93 2HD2 ASN 93 -3.789 -13.968 8.517 583 H ASN 94 H ASN 94 -8.312 -16.584 4.765 584 HA ASN 94 HA ASN 94 -10.597 -16.663 4.658 585 HB2 ASN 94 2HB ASN 94 -11.571 -18.322 6.161 586 HB3 ASN 94 1HB ASN 94 -9.998 -18.861 5.583 587 HD21 ASN 94 1HD2 ASN 94 -8.300 -19.036 7.005 588 HD22 ASN 94 2HD2 ASN 94 -8.501 -18.947 8.719 589 H MET 95 H MET 95 -9.634 -14.279 5.987 590 HA MET 95 HA MET 95 -12.065 -13.301 6.999 591 HB2 MET 95 2HB MET 95 -10.335 -14.580 8.944 592 HB3 MET 95 1HB MET 95 -10.602 -12.888 9.344 593 HG2 MET 95 2HG MET 95 -13.000 -14.409 8.576 594 HG3 MET 95 1HG MET 95 -12.229 -14.898 10.084 595 HE1 MET 95 3HE MET 95 -15.470 -13.057 10.462 596 HE2 MET 95 1HE MET 95 -14.610 -13.337 11.976 597 HE3 MET 95 2HE MET 95 -14.554 -14.547 10.694 598 H ASP 96 H ASP 96 -8.863 -12.555 8.322 599 HA ASP 96 HA ASP 96 -9.130 -9.818 7.435 600 HB2 ASP 96 2HB ASP 96 -6.754 -11.057 8.826 601 HB3 ASP 96 1HB ASP 96 -7.203 -9.355 8.771 602 H LEU 97 H LEU 97 -8.065 -8.837 5.810 603 HA LEU 97 HA LEU 97 -5.693 -9.837 4.618 604 HB2 LEU 97 2HB LEU 97 -7.303 -11.476 3.716 605 HB3 LEU 97 1HB LEU 97 -8.234 -10.165 3.019 606 HG LEU 97 HG LEU 97 -5.776 -9.692 1.937 607 HD11 LEU 97 1HD1 LEU 97 -5.338 -12.094 3.066 608 HD12 LEU 97 2HD1 LEU 97 -4.544 -11.545 1.591 609 HD13 LEU 97 3HD1 LEU 97 -5.955 -12.598 1.493 610 HD21 LEU 97 3HD2 LEU 97 -8.300 -10.896 1.074 611 HD22 LEU 97 1HD2 LEU 97 -6.915 -11.324 0.070 612 HD23 LEU 97 2HD2 LEU 97 -7.330 -9.629 0.324 613 H LEU 98 H LEU 98 -8.553 -8.250 3.205 614 HA LEU 98 HA LEU 98 -6.884 -6.038 2.335 615 HB2 LEU 98 2HB LEU 98 -9.752 -6.795 1.833 616 HB3 LEU 98 1HB LEU 98 -9.088 -5.260 1.306 617 HG LEU 98 HG LEU 98 -7.571 -7.664 0.490 618 HD11 LEU 98 1HD1 LEU 98 -9.076 -8.597 -0.907 619 HD12 LEU 98 2HD1 LEU 98 -9.893 -7.066 -1.228 620 HD13 LEU 98 3HD1 LEU 98 -10.229 -7.953 0.260 621 HD21 LEU 98 3HD2 LEU 98 -8.307 -4.993 -0.627 622 HD22 LEU 98 1HD2 LEU 98 -7.750 -6.275 -1.703 623 HD23 LEU 98 2HD2 LEU 98 -6.713 -5.712 -0.392 624 H LYS 99 H LYS 99 -8.968 -6.784 4.937 625 HA LYS 99 HA LYS 99 -10.131 -4.357 5.577 626 HB2 LYS 99 2HB LYS 99 -9.510 -6.836 6.954 627 HB3 LYS 99 1HB LYS 99 -9.385 -5.452 8.032 628 HG2 LYS 99 2HG LYS 99 -11.755 -5.224 6.460 629 HG3 LYS 99 1HG LYS 99 -11.703 -6.813 7.215 630 HD2 LYS 99 2HD LYS 99 -11.315 -5.751 9.396 631 HD3 LYS 99 1HD LYS 99 -11.407 -4.165 8.632 632 HE2 LYS 99 2HE LYS 99 -13.627 -6.200 8.557 633 HE3 LYS 99 1HE LYS 99 -13.508 -4.927 9.771 634 HZ1 LYS 99 3HZ LYS 99 -14.862 -4.627 7.540 635 HZ2 LYS 99 1HZ LYS 99 -13.359 -4.115 6.972 636 HZ3 LYS 99 2HZ LYS 99 -14.069 -3.333 8.287 637 H GLN 100 H GLN 100 -6.804 -5.293 5.766 638 HA GLN 100 HA GLN 100 -6.041 -3.206 7.597 639 HB2 GLN 100 2HB GLN 100 -4.866 -5.556 6.689 640 HB3 GLN 100 1HB GLN 100 -3.884 -4.290 5.967 641 HG2 GLN 100 2HG GLN 100 -2.783 -4.191 7.883 642 HG3 GLN 100 1HG GLN 100 -4.229 -3.467 8.589 643 HE21 GLN 100 1HE2 GLN 100 -2.022 -5.543 9.355 644 HE22 GLN 100 2HE2 GLN 100 -2.933 -6.767 10.166 645 H ALA 101 H ALA 101 -5.768 -3.780 4.112 646 HA ALA 101 HA ALA 101 -4.400 -1.391 3.491 647 HB1 ALA 101 1HB ALA 101 -4.226 -2.693 1.674 648 HB2 ALA 101 2HB ALA 101 -5.772 -1.986 1.206 649 HB3 ALA 101 3HB ALA 101 -5.728 -3.547 2.026 650 H LEU 102 H LEU 102 -7.788 -2.160 3.904 651 HA LEU 102 HA LEU 102 -8.728 0.326 2.805 652 HB2 LEU 102 2HB LEU 102 -9.920 -2.095 4.006 653 HB3 LEU 102 1HB LEU 102 -10.833 -0.609 4.222 654 HG LEU 102 HG LEU 102 -9.935 -1.016 1.468 655 HD11 LEU 102 1HD1 LEU 102 -10.416 -3.370 2.389 656 HD12 LEU 102 2HD1 LEU 102 -11.205 -2.874 0.892 657 HD13 LEU 102 3HD1 LEU 102 -12.100 -2.857 2.411 658 HD21 LEU 102 3HD2 LEU 102 -12.390 -0.564 1.096 659 HD22 LEU 102 1HD2 LEU 102 -11.485 0.708 1.917 660 HD23 LEU 102 2HD2 LEU 102 -12.524 -0.373 2.844 661 H LEU 103 H LEU 103 -7.781 -0.861 5.931 662 HA LEU 103 HA LEU 103 -9.061 1.179 7.457 663 HB2 LEU 103 2HB LEU 103 -7.555 -1.174 7.972 664 HB3 LEU 103 1HB LEU 103 -6.788 0.148 8.831 665 HG LEU 103 HG LEU 103 -9.736 -0.355 9.066 666 HD11 LEU 103 1HD1 LEU 103 -8.804 -1.415 11.337 667 HD12 LEU 103 2HD1 LEU 103 -7.507 -1.884 10.239 668 HD13 LEU 103 3HD1 LEU 103 -9.168 -2.371 9.901 669 HD21 LEU 103 3HD2 LEU 103 -8.263 1.734 9.882 670 HD22 LEU 103 1HD2 LEU 103 -8.081 0.678 11.280 671 HD23 LEU 103 2HD2 LEU 103 -9.688 1.156 10.745 672 H ILE 104 H ILE 104 -6.006 0.891 5.808 673 HA ILE 104 HA ILE 104 -4.870 3.210 7.114 674 HB ILE 104 HB ILE 104 -3.413 1.356 6.430 675 HG12 ILE 104 2HG1 ILE 104 -1.734 2.770 5.130 676 HG13 ILE 104 1HG1 ILE 104 -2.960 4.034 5.116 677 HG21 ILE 104 1HG2 ILE 104 -2.900 0.992 4.062 678 HG22 ILE 104 2HG2 ILE 104 -4.149 2.153 3.617 679 HG23 ILE 104 3HG2 ILE 104 -4.590 0.650 4.427 680 HD11 ILE 104 3HD1 ILE 104 -1.393 2.939 7.397 681 HD12 ILE 104 1HD1 ILE 104 -2.971 3.668 7.690 682 HD13 ILE 104 2HD1 ILE 104 -1.695 4.614 6.933 683 H LEU 105 H LEU 105 -6.235 2.403 3.945 684 HA LEU 105 HA LEU 105 -5.734 4.995 2.842 685 HB2 LEU 105 2HB LEU 105 -6.930 4.252 0.924 686 HB3 LEU 105 1HB LEU 105 -5.955 2.913 1.488 687 HG LEU 105 HG LEU 105 -8.163 2.210 2.729 688 HD11 LEU 105 1HD1 LEU 105 -9.700 3.138 0.476 689 HD12 LEU 105 2HD1 LEU 105 -9.056 4.490 1.407 690 HD13 LEU 105 3HD1 LEU 105 -10.044 3.264 2.202 691 HD21 LEU 105 3HD2 LEU 105 -7.893 1.875 -0.255 692 HD22 LEU 105 1HD2 LEU 105 -8.714 0.792 0.868 693 HD23 LEU 105 2HD2 LEU 105 -6.968 0.971 0.938 694 H HIS 106 H HIS 106 -8.410 3.452 4.499 695 HA HIS 106 HA HIS 106 -10.282 5.550 3.927 696 HB2 HIS 106 2HB HIS 106 -10.892 3.148 4.435 697 HB3 HIS 106 1HB HIS 106 -10.480 3.477 6.114 698 HD1 HIS 106 1HD HIS 106 -12.444 4.055 7.490 699 HD2 HIS 106 2HD HIS 106 -12.962 5.188 3.526 700 HE1 HIS 106 1HE HIS 106 -14.751 5.041 7.370 701 HE2 HIS 106 2HE HIS 106 -15.067 5.670 4.950 702 H ASN 107 H ASN 107 -8.420 4.566 6.791 703 HA ASN 107 HA ASN 107 -9.323 6.553 8.531 704 HB2 ASN 107 2HB ASN 107 -7.977 4.550 9.182 705 HB3 ASN 107 1HB ASN 107 -6.555 5.325 8.487 706 HD21 ASN 107 1HD2 ASN 107 -5.773 7.241 9.458 707 HD22 ASN 107 2HD2 ASN 107 -6.098 7.591 11.118 708 H ASP 108 H ASP 108 -6.730 6.593 6.143 709 HA ASP 108 HA ASP 108 -5.713 9.149 6.898 710 HB2 ASP 108 2HB ASP 108 -4.522 7.277 5.574 711 HB3 ASP 108 1HB ASP 108 -5.375 7.917 4.172 712 H LEU 109 H LEU 109 -8.200 8.018 4.729 713 HA LEU 109 HA LEU 109 -8.551 10.678 3.580 714 HB2 LEU 109 2HB LEU 109 -8.611 8.792 2.057 715 HB3 LEU 109 1HB LEU 109 -9.914 8.062 2.978 716 HG LEU 109 HG LEU 109 -10.599 10.740 2.100 717 HD11 LEU 109 1HD1 LEU 109 -10.484 8.858 -0.182 718 HD12 LEU 109 2HD1 LEU 109 -8.991 9.684 0.276 719 HD13 LEU 109 3HD1 LEU 109 -10.428 10.621 -0.160 720 HD21 LEU 109 3HD2 LEU 109 -12.609 9.613 1.330 721 HD22 LEU 109 1HD2 LEU 109 -12.178 9.065 2.952 722 HD23 LEU 109 2HD2 LEU 109 -11.832 8.042 1.561 723 H HIS 110 H HIS 110 -9.531 9.167 6.326 724 HA HIS 110 HA HIS 110 -12.299 9.956 6.315 725 HB2 HIS 110 2HB HIS 110 -10.981 8.056 7.681 726 HB3 HIS 110 1HB HIS 110 -10.937 9.345 8.877 727 HD1 HIS 110 1HD HIS 110 -13.441 7.347 6.865 728 HD2 HIS 110 2HD HIS 110 -13.247 9.674 10.302 729 HE1 HIS 110 1HE HIS 110 -15.684 7.094 7.983 730 HE2 HIS 110 2HE HIS 110 -15.505 8.434 10.111 731 H GLU 111 H GLU 111 -9.267 11.282 7.412 732 HA GLU 111 HA GLU 111 -10.218 13.207 9.205 733 HB2 GLU 111 2HB GLU 111 -8.092 14.403 8.731 734 HB3 GLU 111 1HB GLU 111 -7.865 12.698 9.089 735 HG2 GLU 111 2HG GLU 111 -7.769 12.301 6.617 736 HG3 GLU 111 1HG GLU 111 -7.733 14.045 6.407 737 H TYR 112 H TYR 112 -9.526 13.506 5.720 738 HA TYR 112 HA TYR 112 -11.704 15.130 5.125 739 HB2 TYR 112 2HB TYR 112 -9.883 16.594 6.608 740 HB3 TYR 112 1HB TYR 112 -9.481 17.018 4.943 741 HD1 TYR 112 1HD TYR 112 -12.139 17.079 7.490 742 HD2 TYR 112 2HD TYR 112 -10.953 18.355 3.609 743 HE1 TYR 112 1HE TYR 112 -14.024 18.661 7.436 744 HE2 TYR 112 2HE TYR 112 -12.828 19.936 3.543 745 HH TYR 112 HH TYR 112 -15.262 19.956 4.838 746 H VAL 113 H VAL 113 -8.267 15.542 4.280 747 HA VAL 113 HA VAL 113 -7.229 15.577 2.240 748 HB VAL 113 HB VAL 113 -7.277 13.171 2.793 749 HG11 VAL 113 1HG1 VAL 113 -9.822 13.217 1.189 750 HG12 VAL 113 2HG1 VAL 113 -9.590 12.652 2.843 751 HG13 VAL 113 3HG1 VAL 113 -8.908 11.738 1.500 752 HG21 VAL 113 3HG2 VAL 113 -6.307 12.586 0.831 753 HG22 VAL 113 1HG2 VAL 113 -6.493 14.315 0.501 754 HG23 VAL 113 2HG2 VAL 113 -7.676 13.160 -0.137 755 H GLU 114 H GLU 114 -9.572 17.144 2.221 756 HA GLU 114 HA GLU 114 -10.630 16.666 -0.486 757 HB2 GLU 114 2HB GLU 114 -11.924 17.312 1.974 758 HB3 GLU 114 1HB GLU 114 -12.147 18.658 0.862 759 HG2 GLU 114 2HG GLU 114 -12.790 15.775 0.247 760 HG3 GLU 114 1HG GLU 114 -13.966 16.994 0.765 Start of MODEL 6 1 H THR 26 H THR 26 -8.672 -18.339 -7.038 2 HA THR 26 HA THR 26 -7.428 -16.439 -6.983 3 HB THR 26 HB THR 26 -6.809 -15.444 -9.004 4 HG1 THR 26 1HG THR 26 -8.177 -15.377 -10.810 5 HG21 THR 26 3HG2 THR 26 -7.917 -18.026 -10.052 6 HG22 THR 26 1HG2 THR 26 -6.486 -17.942 -9.025 7 HG23 THR 26 2HG2 THR 26 -6.493 -17.140 -10.596 8 H SER 27 H SER 27 -7.903 -14.693 -5.838 9 HA SER 27 HA SER 27 -10.418 -13.275 -6.430 10 HB2 SER 27 2HB SER 27 -9.017 -13.577 -3.762 11 HB3 SER 27 1HB SER 27 -10.501 -12.666 -4.044 12 H LYS 28 H LYS 28 -9.962 -11.458 -7.479 13 HA LYS 28 HA LYS 28 -7.495 -10.014 -6.899 14 HB2 LYS 28 2HB LYS 28 -9.399 -10.135 -9.152 15 HB3 LYS 28 1HB LYS 28 -8.714 -8.547 -8.834 16 HG2 LYS 28 2HG LYS 28 -6.460 -9.495 -9.005 17 HG3 LYS 28 1HG LYS 28 -7.163 -11.074 -9.359 18 HD2 LYS 28 2HD LYS 28 -8.050 -10.324 -11.417 19 HD3 LYS 28 1HD LYS 28 -7.762 -8.632 -11.010 20 HE2 LYS 28 2HE LYS 28 -5.254 -9.626 -10.827 21 HE3 LYS 28 1HE LYS 28 -5.922 -10.668 -12.081 22 HZ1 LYS 28 3HZ LYS 28 -5.318 -7.833 -12.153 23 HZ2 LYS 28 1HZ LYS 28 -6.751 -8.291 -12.927 24 HZ3 LYS 28 2HZ LYS 28 -5.280 -8.980 -13.398 25 H GLN 29 H GLN 29 -7.399 -8.017 -5.986 26 HA GLN 29 HA GLN 29 -9.874 -6.580 -5.429 27 HB2 GLN 29 2HB GLN 29 -8.517 -8.147 -3.460 28 HB3 GLN 29 1HB GLN 29 -8.327 -6.444 -3.041 29 HG2 GLN 29 2HG GLN 29 -10.350 -6.483 -2.158 30 HG3 GLN 29 1HG GLN 29 -11.014 -6.763 -3.768 31 HE21 GLN 29 1HE2 GLN 29 -12.659 -8.090 -3.151 32 HE22 GLN 29 2HE2 GLN 29 -12.420 -9.665 -2.485 33 H GLU 30 H GLU 30 -9.657 -4.426 -5.462 34 HA GLU 30 HA GLU 30 -6.951 -3.300 -5.405 35 HB2 GLU 30 2HB GLU 30 -7.247 -2.094 -7.405 36 HB3 GLU 30 1HB GLU 30 -7.827 -3.716 -7.758 37 HG2 GLU 30 2HG GLU 30 -9.550 -2.596 -8.659 38 HG3 GLU 30 1HG GLU 30 -10.129 -2.590 -6.994 39 H LEU 31 H LEU 31 -6.790 -1.594 -4.106 40 HA LEU 31 HA LEU 31 -9.266 -0.327 -3.168 41 HB2 LEU 31 2HB LEU 31 -6.506 -0.108 -1.968 42 HB3 LEU 31 1HB LEU 31 -8.017 0.408 -1.246 43 HG LEU 31 HG LEU 31 -8.237 -2.371 -1.840 44 HD11 LEU 31 1HD1 LEU 31 -5.906 -2.666 -1.840 45 HD12 LEU 31 2HD1 LEU 31 -6.434 -3.131 -0.223 46 HD13 LEU 31 3HD1 LEU 31 -5.681 -1.558 -0.487 47 HD21 LEU 31 3HD2 LEU 31 -7.862 -1.132 0.870 48 HD22 LEU 31 1HD2 LEU 31 -8.826 -2.540 0.425 49 HD23 LEU 31 2HD2 LEU 31 -9.345 -0.926 -0.062 50 H ILE 32 H ILE 32 -9.469 1.933 -3.080 51 HA ILE 32 HA ILE 32 -7.678 3.357 -4.935 52 HB ILE 32 HB ILE 32 -10.504 4.118 -4.200 53 HG12 ILE 32 2HG1 ILE 32 -10.417 1.949 -5.398 54 HG13 ILE 32 1HG1 ILE 32 -11.183 3.213 -6.355 55 HG21 ILE 32 1HG2 ILE 32 -10.019 5.278 -6.573 56 HG22 ILE 32 2HG2 ILE 32 -8.397 5.294 -5.882 57 HG23 ILE 32 3HG2 ILE 32 -9.728 6.064 -5.023 58 HD11 ILE 32 3HD1 ILE 32 -9.009 3.525 -7.530 59 HD12 ILE 32 1HD1 ILE 32 -9.770 1.954 -7.785 60 HD13 ILE 32 2HD1 ILE 32 -8.408 2.106 -6.675 61 H LEU 33 H LEU 33 -6.153 4.047 -3.420 62 HA LEU 33 HA LEU 33 -6.964 5.437 -1.038 63 HB2 LEU 33 2HB LEU 33 -4.192 5.685 -2.074 64 HB3 LEU 33 1HB LEU 33 -4.756 5.469 -0.430 65 HG LEU 33 HG LEU 33 -4.508 3.349 -2.562 66 HD11 LEU 33 1HD1 LEU 33 -2.908 4.209 -0.244 67 HD12 LEU 33 2HD1 LEU 33 -2.415 3.401 -1.733 68 HD13 LEU 33 3HD1 LEU 33 -3.135 2.469 -0.420 69 HD21 LEU 33 3HD2 LEU 33 -5.274 2.684 0.228 70 HD22 LEU 33 1HD2 LEU 33 -5.652 1.852 -1.281 71 HD23 LEU 33 2HD2 LEU 33 -6.527 3.317 -0.839 72 H VAL 34 H VAL 34 -6.908 7.605 -0.630 73 HA VAL 34 HA VAL 34 -6.988 9.839 -1.033 74 HB VAL 34 HB VAL 34 -5.269 9.301 -3.455 75 HG11 VAL 34 1HG1 VAL 34 -4.989 11.767 -1.866 76 HG12 VAL 34 2HG1 VAL 34 -6.485 11.596 -2.783 77 HG13 VAL 34 3HG1 VAL 34 -4.927 11.521 -3.607 78 HG21 VAL 34 3HG2 VAL 34 -4.295 9.987 -0.690 79 HG22 VAL 34 1HG2 VAL 34 -3.332 9.522 -2.100 80 HG23 VAL 34 2HG2 VAL 34 -4.368 8.334 -1.304 81 H LEU 35 H LEU 35 -8.539 11.054 -1.885 82 HA LEU 35 HA LEU 35 -10.081 9.959 -4.100 83 HB2 LEU 35 2HB LEU 35 -10.760 11.190 -1.718 84 HB3 LEU 35 1HB LEU 35 -11.024 12.452 -2.911 85 HG LEU 35 HG LEU 35 -12.157 9.789 -3.544 86 HD11 LEU 35 1HD1 LEU 35 -12.618 10.059 -1.132 87 HD12 LEU 35 2HD1 LEU 35 -14.077 10.088 -2.127 88 HD13 LEU 35 3HD1 LEU 35 -13.421 11.597 -1.488 89 HD21 LEU 35 3HD2 LEU 35 -12.727 11.309 -5.153 90 HD22 LEU 35 1HD2 LEU 35 -12.772 12.659 -4.012 91 HD23 LEU 35 2HD2 LEU 35 -14.099 11.502 -4.050 92 H LYS 36 H LYS 36 -9.067 13.263 -3.194 93 HA LYS 36 HA LYS 36 -8.827 13.878 -6.057 94 HB2 LYS 36 2HB LYS 36 -8.977 16.264 -5.322 95 HB3 LYS 36 1HB LYS 36 -10.410 15.311 -4.983 96 HG2 LYS 36 2HG LYS 36 -10.039 15.322 -2.712 97 HG3 LYS 36 1HG LYS 36 -8.315 15.630 -2.884 98 HD2 LYS 36 2HD LYS 36 -10.502 17.607 -3.516 99 HD3 LYS 36 1HD LYS 36 -9.544 17.596 -2.033 100 HE2 LYS 36 2HE LYS 36 -7.951 18.774 -3.036 101 HE3 LYS 36 1HE LYS 36 -7.771 17.517 -4.266 102 HZ1 LYS 36 3HZ LYS 36 -8.289 19.626 -5.291 103 HZ2 LYS 36 1HZ LYS 36 -9.683 19.793 -4.339 104 HZ3 LYS 36 2HZ LYS 36 -9.592 18.567 -5.503 105 H GLY 37 H GLY 37 -7.148 14.029 -2.967 106 HA2 GLY 37 2HA GLY 37 -4.687 13.560 -3.260 107 HA3 GLY 37 1HA GLY 37 -4.714 14.891 -4.409 108 H GLU 38 H GLU 38 -5.389 17.020 -3.540 109 HA GLU 38 HA GLU 38 -5.181 18.746 -2.077 110 HB2 GLU 38 2HB GLU 38 -6.321 16.672 -0.579 111 HB3 GLU 38 1HB GLU 38 -5.025 17.304 0.428 112 HG2 GLU 38 2HG GLU 38 -7.231 18.941 -0.798 113 HG3 GLU 38 1HG GLU 38 -7.159 18.399 0.883 114 H LEU 39 H LEU 39 -3.482 16.221 -0.236 115 HA LEU 39 HA LEU 39 -1.155 17.953 -0.075 116 HB2 LEU 39 2HB LEU 39 -2.335 15.940 1.577 117 HB3 LEU 39 1HB LEU 39 -0.697 15.450 1.190 118 HG LEU 39 HG LEU 39 -1.049 18.247 2.086 119 HD11 LEU 39 1HD1 LEU 39 -1.737 15.884 3.753 120 HD12 LEU 39 2HD1 LEU 39 -2.399 17.516 3.775 121 HD13 LEU 39 3HD1 LEU 39 -0.818 17.185 4.497 122 HD21 LEU 39 3HD2 LEU 39 1.129 17.165 1.492 123 HD22 LEU 39 1HD2 LEU 39 0.928 16.140 2.914 124 HD23 LEU 39 2HD2 LEU 39 1.071 17.893 3.102 125 H ASP 40 H ASP 40 0.457 17.807 -1.481 126 HA ASP 40 HA ASP 40 1.241 15.191 -2.508 127 HB2 ASP 40 2HB ASP 40 1.444 16.200 -4.823 128 HB3 ASP 40 1HB ASP 40 -0.199 15.919 -4.266 129 H LEU 41 H LEU 41 2.477 16.836 -0.575 130 HA LEU 41 HA LEU 41 4.839 17.825 -2.021 131 HB2 LEU 41 2HB LEU 41 3.514 19.426 -0.555 132 HB3 LEU 41 1HB LEU 41 4.066 18.483 0.818 133 HG LEU 41 HG LEU 41 6.211 19.402 -0.971 134 HD11 LEU 41 1HD1 LEU 41 6.054 21.645 -0.686 135 HD12 LEU 41 2HD1 LEU 41 5.190 21.503 0.838 136 HD13 LEU 41 3HD1 LEU 41 4.334 21.260 -0.685 137 HD21 LEU 41 3HD2 LEU 41 6.219 18.267 1.400 138 HD22 LEU 41 1HD2 LEU 41 6.068 19.942 1.948 139 HD23 LEU 41 2HD2 LEU 41 7.442 19.464 0.955 140 H HIS 42 H HIS 42 3.700 15.726 0.543 141 HA HIS 42 HA HIS 42 6.403 14.937 1.257 142 HB2 HIS 42 2HB HIS 42 3.675 14.282 2.346 143 HB3 HIS 42 1HB HIS 42 5.097 13.361 2.837 144 HD1 HIS 42 1HD HIS 42 6.609 14.397 4.566 145 HD2 HIS 42 2HD HIS 42 3.724 17.038 3.154 146 HE1 HIS 42 1HE HIS 42 6.744 16.410 6.067 147 HE2 HIS 42 2HE HIS 42 4.938 17.955 5.251 148 H SER 43 H SER 43 3.593 13.679 -0.418 149 HA SER 43 HA SER 43 3.288 11.872 -1.763 150 HB2 SER 43 2HB SER 43 5.466 12.897 -2.724 151 HB3 SER 43 1HB SER 43 6.273 11.542 -1.938 152 HG SER 43 HG SER 43 4.941 10.141 -3.152 153 H LYS 44 H LYS 44 3.215 11.396 0.981 154 HA LYS 44 HA LYS 44 4.782 9.078 1.636 155 HB2 LYS 44 2HB LYS 44 2.344 10.151 3.058 156 HB3 LYS 44 1HB LYS 44 3.553 9.055 3.710 157 HG2 LYS 44 2HG LYS 44 5.190 11.026 3.150 158 HG3 LYS 44 1HG LYS 44 3.714 11.987 3.231 159 HD2 LYS 44 2HD LYS 44 3.903 10.137 5.445 160 HD3 LYS 44 1HD LYS 44 5.318 11.186 5.364 161 HE2 LYS 44 2HE LYS 44 3.702 12.271 6.738 162 HE3 LYS 44 1HE LYS 44 3.756 13.125 5.197 163 HZ1 LYS 44 3HZ LYS 44 1.624 11.474 6.319 164 HZ2 LYS 44 1HZ LYS 44 1.821 11.459 4.643 165 HZ3 LYS 44 2HZ LYS 44 1.520 12.912 5.447 166 H ASN 45 H ASN 45 2.154 9.481 -0.348 167 HA ASN 45 HA ASN 45 0.412 7.419 0.306 168 HB2 ASN 45 2HB ASN 45 1.152 8.782 -2.255 169 HB3 ASN 45 1HB ASN 45 0.126 7.356 -2.316 170 HD21 ASN 45 1HD2 ASN 45 0.049 10.584 -2.292 171 HD22 ASN 45 2HD2 ASN 45 -1.494 10.859 -1.574 172 H MET 46 H MET 46 2.923 7.244 -2.229 173 HA MET 46 HA MET 46 2.828 4.508 -2.634 174 HB2 MET 46 2HB MET 46 5.291 4.802 -3.344 175 HB3 MET 46 1HB MET 46 4.060 5.715 -4.217 176 HG2 MET 46 2HG MET 46 5.138 7.584 -3.767 177 HG3 MET 46 1HG MET 46 4.898 7.309 -2.044 178 HE1 MET 46 3HE MET 46 7.850 8.242 -4.341 179 HE2 MET 46 1HE MET 46 6.937 6.940 -5.108 180 HE3 MET 46 2HE MET 46 8.591 6.658 -4.580 181 H LYS 47 H LYS 47 4.809 6.334 -0.338 182 HA LYS 47 HA LYS 47 6.249 4.148 0.687 183 HB2 LYS 47 2HB LYS 47 5.472 6.682 2.141 184 HB3 LYS 47 1HB LYS 47 6.798 5.601 2.562 185 HG2 LYS 47 2HG LYS 47 8.088 6.275 0.760 186 HG3 LYS 47 1HG LYS 47 6.706 6.938 -0.116 187 HD2 LYS 47 2HD LYS 47 6.800 8.911 0.962 188 HD3 LYS 47 1HD LYS 47 7.232 8.168 2.501 189 HE2 LYS 47 2HE LYS 47 9.038 9.569 1.663 190 HE3 LYS 47 1HE LYS 47 9.526 7.878 1.732 191 HZ1 LYS 47 3HZ LYS 47 10.169 9.117 -0.328 192 HZ2 LYS 47 1HZ LYS 47 8.529 9.153 -0.739 193 HZ3 LYS 47 2HZ LYS 47 9.329 7.674 -0.591 194 H ASN 48 H ASN 48 3.039 5.336 1.282 195 HA ASN 48 HA ASN 48 2.578 4.066 3.761 196 HB2 ASN 48 2HB ASN 48 1.204 5.916 2.554 197 HB3 ASN 48 1HB ASN 48 0.412 4.573 1.746 198 HD21 ASN 48 1HD2 ASN 48 1.186 5.895 4.918 199 HD22 ASN 48 2HD2 ASN 48 -0.197 5.239 5.724 200 H VAL 49 H VAL 49 2.100 3.063 0.407 201 HA VAL 49 HA VAL 49 0.782 0.624 1.013 202 HB VAL 49 HB VAL 49 2.422 1.200 -1.455 203 HG11 VAL 49 1HG1 VAL 49 1.049 -1.091 -0.609 204 HG12 VAL 49 2HG1 VAL 49 1.701 -0.764 -2.212 205 HG13 VAL 49 3HG1 VAL 49 0.030 -0.351 -1.841 206 HG21 VAL 49 3HG2 VAL 49 0.424 2.088 -2.473 207 HG22 VAL 49 1HG2 VAL 49 0.778 2.997 -1.005 208 HG23 VAL 49 2HG2 VAL 49 -0.502 1.788 -1.005 209 H ILE 50 H ILE 50 4.169 1.452 0.374 210 HA ILE 50 HA ILE 50 5.222 -1.133 0.378 211 HB ILE 50 HB ILE 50 6.572 1.359 1.398 212 HG12 ILE 50 2HG1 ILE 50 5.674 1.663 -0.878 213 HG13 ILE 50 1HG1 ILE 50 7.433 1.610 -0.881 214 HG21 ILE 50 1HG2 ILE 50 7.590 -1.333 0.564 215 HG22 ILE 50 2HG2 ILE 50 7.914 -0.438 2.043 216 HG23 ILE 50 3HG2 ILE 50 8.621 0.092 0.523 217 HD11 ILE 50 3HD1 ILE 50 6.590 0.359 -2.737 218 HD12 ILE 50 1HD1 ILE 50 5.568 -0.604 -1.671 219 HD13 ILE 50 2HD1 ILE 50 7.318 -0.752 -1.584 220 H ASN 51 H ASN 51 4.424 1.040 3.019 221 HA ASN 51 HA ASN 51 5.612 -0.594 5.054 222 HB2 ASN 51 2HB ASN 51 3.706 1.746 5.144 223 HB3 ASN 51 1HB ASN 51 4.281 0.923 6.597 224 HD21 ASN 51 1HD2 ASN 51 4.719 3.606 4.983 225 HD22 ASN 51 2HD2 ASN 51 6.417 3.866 5.199 226 H ASN 52 H ASN 52 2.241 0.109 4.105 227 HA ASN 52 HA ASN 52 1.095 -1.746 5.903 228 HB2 ASN 52 2HB ASN 52 0.005 -0.506 3.371 229 HB3 ASN 52 1HB ASN 52 -0.955 -1.474 4.487 230 HD21 ASN 52 1HD2 ASN 52 -0.257 1.578 3.623 231 HD22 ASN 52 2HD2 ASN 52 -0.577 2.398 5.109 232 H ALA 53 H ALA 53 1.611 -1.931 2.382 233 HA ALA 53 HA ALA 53 0.709 -4.527 1.991 234 HB1 ALA 53 1HB ALA 53 1.296 -2.896 0.200 235 HB2 ALA 53 2HB ALA 53 1.936 -4.517 -0.070 236 HB3 ALA 53 3HB ALA 53 2.998 -3.236 0.513 237 H LYS 54 H LYS 54 3.735 -3.366 3.290 238 HA LYS 54 HA LYS 54 5.047 -5.928 3.146 239 HB2 LYS 54 2HB LYS 54 6.367 -3.880 3.048 240 HB3 LYS 54 1HB LYS 54 5.778 -3.399 4.632 241 HG2 LYS 54 2HG LYS 54 7.628 -4.338 5.434 242 HG3 LYS 54 1HG LYS 54 6.840 -5.886 5.108 243 HD2 LYS 54 2HD LYS 54 7.951 -5.036 2.666 244 HD3 LYS 54 1HD LYS 54 9.181 -4.748 3.896 245 HE2 LYS 54 2HE LYS 54 9.336 -6.981 4.463 246 HE3 LYS 54 1HE LYS 54 7.722 -7.349 3.852 247 HZ1 LYS 54 3HZ LYS 54 10.257 -7.263 2.448 248 HZ2 LYS 54 1HZ LYS 54 8.945 -6.585 1.611 249 HZ3 LYS 54 2HZ LYS 54 8.874 -8.190 2.136 250 H LYS 55 H LYS 55 3.512 -3.962 5.659 251 HA LYS 55 HA LYS 55 4.045 -5.663 7.828 252 HB2 LYS 55 2HB LYS 55 1.962 -3.575 7.286 253 HB3 LYS 55 1HB LYS 55 1.865 -4.555 8.741 254 HG2 LYS 55 2HG LYS 55 4.075 -3.785 9.424 255 HG3 LYS 55 1HG LYS 55 4.203 -2.831 7.942 256 HD2 LYS 55 2HD LYS 55 2.655 -1.278 8.649 257 HD3 LYS 55 1HD LYS 55 1.854 -2.416 9.736 258 HE2 LYS 55 2HE LYS 55 4.632 -1.327 10.185 259 HE3 LYS 55 1HE LYS 55 3.174 -0.607 10.869 260 HZ1 LYS 55 3HZ LYS 55 2.948 -2.263 12.360 261 HZ2 LYS 55 1HZ LYS 55 4.620 -2.438 12.126 262 HZ3 LYS 55 2HZ LYS 55 3.534 -3.459 11.318 263 H ASN 56 H ASN 56 1.622 -5.742 5.330 264 HA ASN 56 HA ASN 56 -0.060 -7.676 6.594 265 HB2 ASN 56 2HB ASN 56 0.154 -6.564 3.808 266 HB3 ASN 56 1HB ASN 56 -0.892 -7.948 4.145 267 HD21 ASN 56 1HD2 ASN 56 -0.598 -4.592 4.187 268 HD22 ASN 56 2HD2 ASN 56 -2.063 -4.223 5.022 269 H LEU 57 H LEU 57 2.379 -7.831 4.007 270 HA LEU 57 HA LEU 57 2.261 -10.511 3.385 271 HB2 LEU 57 2HB LEU 57 4.546 -8.566 3.467 272 HB3 LEU 57 1HB LEU 57 4.812 -10.244 3.009 273 HG LEU 57 HG LEU 57 2.660 -8.772 1.580 274 HD11 LEU 57 1HD1 LEU 57 4.992 -7.444 1.852 275 HD12 LEU 57 2HD1 LEU 57 3.963 -7.348 0.422 276 HD13 LEU 57 3HD1 LEU 57 5.352 -8.436 0.439 277 HD21 LEU 57 3HD2 LEU 57 4.120 -10.084 -0.265 278 HD22 LEU 57 1HD2 LEU 57 2.803 -10.821 0.648 279 HD23 LEU 57 2HD2 LEU 57 4.473 -11.059 1.162 280 H GLU 58 H GLU 58 4.498 -9.052 5.747 281 HA GLU 58 HA GLU 58 5.444 -11.470 6.790 282 HB2 GLU 58 2HB GLU 58 6.044 -10.034 8.809 283 HB3 GLU 58 1HB GLU 58 6.715 -9.534 7.265 284 HG2 GLU 58 2HG GLU 58 5.666 -7.574 7.321 285 HG3 GLU 58 1HG GLU 58 4.142 -8.303 7.822 286 H LYS 59 H LYS 59 2.521 -9.704 7.382 287 HA LYS 59 HA LYS 59 1.817 -10.702 9.896 288 HB2 LYS 59 2HB LYS 59 0.657 -9.018 8.061 289 HB3 LYS 59 1HB LYS 59 -0.423 -10.404 8.034 290 HG2 LYS 59 2HG LYS 59 -1.375 -9.115 9.671 291 HG3 LYS 59 1HG LYS 59 -0.335 -10.172 10.627 292 HD2 LYS 59 2HD LYS 59 1.298 -8.029 9.938 293 HD3 LYS 59 1HD LYS 59 -0.262 -7.293 10.311 294 HE2 LYS 59 2HE LYS 59 0.659 -9.378 12.178 295 HE3 LYS 59 1HE LYS 59 1.603 -7.887 12.161 296 HZ1 LYS 59 3HZ LYS 59 -0.143 -6.660 12.934 297 HZ2 LYS 59 1HZ LYS 59 -0.467 -8.132 13.702 298 HZ3 LYS 59 2HZ LYS 59 -1.317 -7.703 12.310 299 H TYR 60 H TYR 60 1.491 -12.069 6.682 300 HA TYR 60 HA TYR 60 -0.040 -14.337 7.596 301 HB2 TYR 60 2HB TYR 60 1.380 -14.237 4.952 302 HB3 TYR 60 1HB TYR 60 -0.156 -15.004 5.361 303 HD1 TYR 60 2HD TYR 60 -2.089 -13.370 6.029 304 HD2 TYR 60 1HD TYR 60 1.375 -12.205 3.851 305 HE1 TYR 60 2HE TYR 60 -3.295 -11.406 5.172 306 HE2 TYR 60 1HE TYR 60 0.177 -10.237 2.987 307 HH TYR 60 HH TYR 60 -2.065 -9.457 2.628 308 H PHE 61 H PHE 61 3.300 -13.595 6.842 309 HA PHE 61 HA PHE 61 4.197 -16.315 7.014 310 HB2 PHE 61 2HB PHE 61 5.262 -14.219 5.801 311 HB3 PHE 61 1HB PHE 61 6.065 -14.017 7.353 312 HD1 PHE 61 2HD PHE 61 7.390 -15.990 8.266 313 HD2 PHE 61 1HD PHE 61 6.066 -15.734 4.235 314 HE1 PHE 61 2HE PHE 61 9.068 -17.665 7.609 315 HE2 PHE 61 1HE PHE 61 7.744 -17.409 3.573 316 HZ PHE 61 HZ PHE 61 9.251 -18.375 5.263 317 H LYS 62 H LYS 62 3.692 -13.722 9.250 318 HA LYS 62 HA LYS 62 5.343 -14.937 11.311 319 HB2 LYS 62 2HB LYS 62 4.892 -12.385 10.868 320 HB3 LYS 62 1HB LYS 62 3.457 -12.677 11.842 321 HG2 LYS 62 2HG LYS 62 5.341 -13.813 13.402 322 HG3 LYS 62 1HG LYS 62 6.285 -12.545 12.622 323 HD2 LYS 62 2HD LYS 62 5.069 -10.859 13.585 324 HD3 LYS 62 1HD LYS 62 3.610 -11.840 13.719 325 HE2 LYS 62 2HE LYS 62 5.037 -13.213 15.421 326 HE3 LYS 62 1HE LYS 62 5.999 -11.740 15.507 327 HZ1 LYS 62 3HZ LYS 62 4.277 -11.794 17.207 328 HZ2 LYS 62 1HZ LYS 62 3.081 -11.913 16.020 329 HZ3 LYS 62 2HZ LYS 62 4.022 -10.514 16.133 330 H GLU 63 H GLU 63 1.951 -14.641 10.472 331 HA GLU 63 HA GLU 63 1.144 -15.942 12.953 332 HB2 GLU 63 2HB GLU 63 -0.057 -14.035 11.346 333 HB3 GLU 63 1HB GLU 63 -0.960 -15.506 10.979 334 HG2 GLU 63 2HG GLU 63 -1.694 -15.745 13.173 335 HG3 GLU 63 1HG GLU 63 -0.448 -14.671 13.807 336 H HIS 64 H HIS 64 0.812 -16.496 9.447 337 HA HIS 64 HA HIS 64 -0.009 -19.236 9.961 338 HB2 HIS 64 2HB HIS 64 -0.259 -17.355 7.739 339 HB3 HIS 64 1HB HIS 64 0.175 -18.981 7.220 340 HD1 HIS 64 1HD HIS 64 -1.508 -20.514 9.384 341 HD2 HIS 64 2HD HIS 64 -2.902 -17.417 6.988 342 HE1 HIS 64 1HE HIS 64 -4.004 -20.805 9.295 343 HE2 HIS 64 2HE HIS 64 -4.816 -18.974 7.767 344 H PHE 65 H PHE 65 2.840 -17.918 10.100 345 HA PHE 65 HA PHE 65 5.000 -18.502 9.636 346 HB2 PHE 65 2HB PHE 65 3.723 -20.564 10.893 347 HB3 PHE 65 1HB PHE 65 4.404 -21.375 9.481 348 HD1 PHE 65 1HD PHE 65 5.163 -19.549 12.565 349 HD2 PHE 65 2HD PHE 65 6.778 -21.632 9.223 350 HE1 PHE 65 1HE PHE 65 7.341 -19.659 13.690 351 HE2 PHE 65 2HE PHE 65 8.961 -21.745 10.344 352 HZ PHE 65 HZ PHE 65 9.246 -20.758 12.581 353 H LYS 66 H LYS 66 3.281 -18.065 7.304 354 HA LYS 66 HA LYS 66 5.072 -18.900 5.288 355 HB2 LYS 66 2HB LYS 66 3.021 -20.783 5.958 356 HB3 LYS 66 1HB LYS 66 2.703 -20.152 4.348 357 HG2 LYS 66 2HG LYS 66 4.200 -21.568 3.547 358 HG3 LYS 66 1HG LYS 66 5.452 -20.697 4.433 359 HD2 LYS 66 2HD LYS 66 4.379 -22.230 6.403 360 HD3 LYS 66 1HD LYS 66 4.179 -23.285 5.002 361 HE2 LYS 66 2HE LYS 66 6.303 -23.888 5.275 362 HE3 LYS 66 1HE LYS 66 6.753 -22.267 4.748 363 HZ1 LYS 66 3HZ LYS 66 6.219 -21.828 7.318 364 HZ2 LYS 66 1HZ LYS 66 7.761 -22.223 6.742 365 HZ3 LYS 66 2HZ LYS 66 6.774 -23.423 7.410 366 H GLU 67 H GLU 67 3.728 -18.696 3.019 367 HA GLU 67 HA GLU 67 2.046 -16.294 3.246 368 HB2 GLU 67 2HB GLU 67 3.180 -15.350 1.267 369 HB3 GLU 67 1HB GLU 67 4.272 -15.548 2.631 370 HG2 GLU 67 2HG GLU 67 4.196 -17.843 0.824 371 HG3 GLU 67 1HG GLU 67 4.770 -16.352 0.079 372 H PHE 68 H PHE 68 0.397 -16.103 1.766 373 HA PHE 68 HA PHE 68 0.174 -18.001 -0.417 374 HB2 PHE 68 2HB PHE 68 -1.919 -17.921 1.766 375 HB3 PHE 68 1HB PHE 68 -1.985 -18.888 0.297 376 HD1 PHE 68 2HD PHE 68 0.052 -20.510 -0.049 377 HD2 PHE 68 1HD PHE 68 -1.149 -18.893 3.699 378 HE1 PHE 68 2HE PHE 68 1.204 -22.350 1.109 379 HE2 PHE 68 1HE PHE 68 0.002 -20.730 4.865 380 HZ PHE 68 HZ PHE 68 1.180 -22.461 3.569 381 H ASP 69 H ASP 69 0.446 -15.165 -0.278 382 HA ASP 69 HA ASP 69 -1.686 -14.407 -2.008 383 HB2 ASP 69 2HB ASP 69 -2.481 -12.488 -0.583 384 HB3 ASP 69 1HB ASP 69 -2.954 -14.082 -0.004 385 H LYS 70 H LYS 70 -1.405 -12.237 -2.879 386 HA LYS 70 HA LYS 70 1.284 -11.133 -2.418 387 HB2 LYS 70 2HB LYS 70 -0.072 -11.636 -5.070 388 HB3 LYS 70 1HB LYS 70 1.364 -10.638 -4.884 389 HG2 LYS 70 2HG LYS 70 1.194 -13.542 -4.110 390 HG3 LYS 70 1HG LYS 70 1.843 -12.942 -5.637 391 HD2 LYS 70 2HD LYS 70 3.283 -11.450 -3.948 392 HD3 LYS 70 1HD LYS 70 2.994 -12.847 -2.909 393 HE2 LYS 70 2HE LYS 70 5.044 -13.229 -4.060 394 HE3 LYS 70 1HE LYS 70 3.832 -14.295 -4.771 395 HZ1 LYS 70 3HZ LYS 70 4.659 -11.681 -5.914 396 HZ2 LYS 70 1HZ LYS 70 3.595 -12.795 -6.616 397 HZ3 LYS 70 2HZ LYS 70 5.232 -13.184 -6.436 398 H ILE 71 H ILE 71 1.504 -8.892 -2.670 399 HA ILE 71 HA ILE 71 -1.003 -7.403 -3.054 400 HB ILE 71 HB ILE 71 1.064 -6.743 -0.955 401 HG12 ILE 71 2HG1 ILE 71 -1.741 -7.584 -0.362 402 HG13 ILE 71 1HG1 ILE 71 -0.537 -8.818 -0.713 403 HG21 ILE 71 1HG2 ILE 71 -0.437 -5.025 -0.245 404 HG22 ILE 71 2HG2 ILE 71 -1.677 -5.565 -1.376 405 HG23 ILE 71 3HG2 ILE 71 -0.191 -4.834 -1.981 406 HD11 ILE 71 3HD1 ILE 71 0.293 -8.676 1.336 407 HD12 ILE 71 1HD1 ILE 71 -1.061 -7.620 1.740 408 HD13 ILE 71 2HD1 ILE 71 0.470 -6.926 1.206 409 H SER 72 H SER 72 -0.889 -5.646 -4.278 410 HA SER 72 HA SER 72 1.729 -4.526 -4.959 411 HB2 SER 72 2HB SER 72 0.770 -6.268 -6.662 412 HB3 SER 72 1HB SER 72 -0.293 -4.943 -7.132 413 HG SER 72 HG SER 72 1.358 -4.434 -8.341 414 H TYR 73 H TYR 73 1.370 -2.483 -6.362 415 HA TYR 73 HA TYR 73 -1.104 -1.089 -5.967 416 HB2 TYR 73 2HB TYR 73 -0.389 0.602 -4.477 417 HB3 TYR 73 1HB TYR 73 0.106 -0.917 -3.736 418 HD1 TYR 73 2HD TYR 73 2.594 -1.661 -4.460 419 HD2 TYR 73 1HD TYR 73 1.110 2.327 -4.443 420 HE1 TYR 73 2HE TYR 73 4.898 -0.809 -4.309 421 HE2 TYR 73 1HE TYR 73 3.409 3.187 -4.288 422 HH TYR 73 HH TYR 73 5.604 2.470 -3.604 423 H ASP 74 H ASP 74 -1.115 1.041 -6.965 424 HA ASP 74 HA ASP 74 1.175 1.718 -8.628 425 HB2 ASP 74 2HB ASP 74 -0.315 0.022 -9.867 426 HB3 ASP 74 1HB ASP 74 -1.485 1.334 -9.987 427 H ILE 75 H ILE 75 0.836 3.767 -9.823 428 HA ILE 75 HA ILE 75 -1.275 5.472 -8.745 429 HB ILE 75 HB ILE 75 0.653 5.730 -7.221 430 HG12 ILE 75 2HG1 ILE 75 -0.969 7.606 -7.827 431 HG13 ILE 75 1HG1 ILE 75 0.554 8.086 -7.094 432 HG21 ILE 75 1HG2 ILE 75 2.420 7.290 -8.758 433 HG22 ILE 75 2HG2 ILE 75 2.116 5.814 -9.673 434 HG23 ILE 75 3HG2 ILE 75 2.716 5.715 -8.020 435 HD11 ILE 75 3HD1 ILE 75 -0.586 8.862 -9.603 436 HD12 ILE 75 1HD1 ILE 75 0.990 8.116 -9.868 437 HD13 ILE 75 2HD1 ILE 75 0.839 9.495 -8.778 438 H SER 76 H SER 76 -1.910 7.100 -10.101 439 HA SER 76 HA SER 76 -0.328 7.899 -12.363 440 HB2 SER 76 2HB SER 76 -2.924 6.736 -13.227 441 HB3 SER 76 1HB SER 76 -1.388 6.823 -14.084 442 HG SER 76 HG SER 76 -0.629 5.124 -12.802 443 H THR 77 H THR 77 -2.336 8.895 -13.995 444 HA THR 77 HA THR 77 -3.757 10.644 -14.270 445 HB THR 77 HB THR 77 -5.553 10.900 -12.836 446 HG1 THR 77 1HG THR 77 -3.704 10.427 -10.768 447 HG21 THR 77 3HG2 THR 77 -5.159 8.435 -13.384 448 HG22 THR 77 1HG2 THR 77 -6.282 8.829 -12.084 449 HG23 THR 77 2HG2 THR 77 -4.647 8.286 -11.707 450 HA PRO 78 HA PRO 78 -1.256 14.038 -12.923 451 HB2 PRO 78 2HB PRO 78 -2.719 16.093 -13.878 452 HB3 PRO 78 1HB PRO 78 -1.815 15.002 -14.941 453 HG2 PRO 78 2HG PRO 78 -4.732 15.004 -14.262 454 HG3 PRO 78 1HG PRO 78 -3.950 14.772 -15.836 455 HD2 PRO 78 2HD PRO 78 -4.874 12.711 -14.317 456 HD3 PRO 78 1HD PRO 78 -3.495 12.562 -15.425 457 H ILE 79 H ILE 79 -4.450 13.497 -11.798 458 HA ILE 79 HA ILE 79 -4.369 15.742 -9.937 459 HB ILE 79 HB ILE 79 -6.626 15.002 -9.263 460 HG12 ILE 79 2HG1 ILE 79 -7.308 13.247 -11.367 461 HG13 ILE 79 1HG1 ILE 79 -5.829 12.616 -10.657 462 HG21 ILE 79 1HG2 ILE 79 -7.754 15.629 -11.334 463 HG22 ILE 79 2HG2 ILE 79 -6.281 15.303 -12.246 464 HG23 ILE 79 3HG2 ILE 79 -6.320 16.625 -11.080 465 HD11 ILE 79 3HD1 ILE 79 -8.522 12.550 -9.660 466 HD12 ILE 79 1HD1 ILE 79 -7.424 13.283 -8.492 467 HD13 ILE 79 2HD1 ILE 79 -7.094 11.665 -9.114 468 H ASN 80 H ASN 80 -2.631 13.224 -9.822 469 HA ASN 80 HA ASN 80 -1.751 11.838 -8.255 470 HB2 ASN 80 2HB ASN 80 -2.251 14.300 -7.018 471 HB3 ASN 80 1HB ASN 80 -2.852 13.103 -5.883 472 HD21 ASN 80 1HD2 ASN 80 -0.108 13.167 -8.137 473 HD22 ASN 80 2HD2 ASN 80 1.089 12.812 -6.947 474 H PHE 81 H PHE 81 -3.032 10.045 -8.778 475 HA PHE 81 HA PHE 81 -5.154 9.463 -6.823 476 HB2 PHE 81 2HB PHE 81 -5.762 9.858 -9.370 477 HB3 PHE 81 1HB PHE 81 -5.231 8.188 -9.517 478 HD1 PHE 81 1HD PHE 81 -7.549 10.368 -7.607 479 HD2 PHE 81 2HD PHE 81 -6.691 6.452 -9.029 480 HE1 PHE 81 1HE PHE 81 -9.755 9.607 -6.839 481 HE2 PHE 81 2HE PHE 81 -8.897 5.686 -8.264 482 HZ PHE 81 HZ PHE 81 -10.433 7.256 -7.163 483 H LEU 82 H LEU 82 -4.702 7.778 -5.566 484 HA LEU 82 HA LEU 82 -2.532 5.990 -6.336 485 HB2 LEU 82 2HB LEU 82 -3.989 6.515 -3.766 486 HB3 LEU 82 1HB LEU 82 -2.948 5.118 -3.949 487 HG LEU 82 HG LEU 82 -1.745 6.902 -2.847 488 HD11 LEU 82 1HD1 LEU 82 -0.777 6.628 -5.686 489 HD12 LEU 82 2HD1 LEU 82 -0.536 5.426 -4.425 490 HD13 LEU 82 3HD1 LEU 82 0.196 7.024 -4.273 491 HD21 LEU 82 3HD2 LEU 82 -1.435 9.060 -3.756 492 HD22 LEU 82 1HD2 LEU 82 -3.159 8.719 -3.914 493 HD23 LEU 82 2HD2 LEU 82 -2.097 8.586 -5.320 494 H CYS 83 H CYS 83 -3.047 4.266 -7.498 495 HA CYS 83 HA CYS 83 -5.634 2.957 -7.041 496 HB2 CYS 83 2HB CYS 83 -3.782 3.113 -9.388 497 HB3 CYS 83 1HB CYS 83 -4.876 1.736 -9.237 498 HG CYS 83 HG CYS 83 -6.357 4.371 -9.036 499 H ILE 84 H ILE 84 -5.266 1.615 -5.338 500 HA ILE 84 HA ILE 84 -2.909 -0.060 -5.230 501 HB ILE 84 HB ILE 84 -5.306 0.197 -3.435 502 HG12 ILE 84 2HG1 ILE 84 -3.437 1.949 -3.519 503 HG13 ILE 84 1HG1 ILE 84 -3.891 1.307 -1.943 504 HG21 ILE 84 1HG2 ILE 84 -2.978 -1.689 -3.167 505 HG22 ILE 84 2HG2 ILE 84 -4.682 -2.113 -3.332 506 HG23 ILE 84 3HG2 ILE 84 -4.111 -1.313 -1.868 507 HD11 ILE 84 3HD1 ILE 84 -1.359 1.454 -2.975 508 HD12 ILE 84 1HD1 ILE 84 -1.796 -0.235 -3.191 509 HD13 ILE 84 2HD1 ILE 84 -1.866 0.499 -1.591 510 H PHE 85 H PHE 85 -2.745 -2.089 -5.929 511 HA PHE 85 HA PHE 85 -5.202 -3.579 -6.549 512 HB2 PHE 85 2HB PHE 85 -2.827 -3.059 -8.287 513 HB3 PHE 85 1HB PHE 85 -3.689 -4.587 -8.449 514 HD1 PHE 85 2HD PHE 85 -6.118 -4.552 -9.038 515 HD2 PHE 85 1HD PHE 85 -3.684 -1.071 -9.196 516 HE1 PHE 85 2HE PHE 85 -7.789 -3.463 -10.475 517 HE2 PHE 85 1HE PHE 85 -5.345 0.031 -10.642 518 HZ PHE 85 HZ PHE 85 -7.401 -1.166 -11.284 519 H ILE 86 H ILE 86 -5.119 -4.924 -4.801 520 HA ILE 86 HA ILE 86 -2.649 -6.393 -4.261 521 HB ILE 86 HB ILE 86 -3.593 -5.493 -2.284 522 HG12 ILE 86 2HG1 ILE 86 -4.368 -8.417 -2.436 523 HG13 ILE 86 1HG1 ILE 86 -2.772 -7.791 -2.037 524 HG21 ILE 86 1HG2 ILE 86 -5.948 -6.084 -1.592 525 HG22 ILE 86 2HG2 ILE 86 -6.202 -6.631 -3.248 526 HG23 ILE 86 3HG2 ILE 86 -5.793 -4.946 -2.929 527 HD11 ILE 86 3HD1 ILE 86 -5.247 -7.245 -0.422 528 HD12 ILE 86 1HD1 ILE 86 -3.581 -6.857 0.006 529 HD13 ILE 86 2HD1 ILE 86 -4.099 -8.541 -0.082 530 HA PRO 87 HA PRO 87 -4.762 -9.752 -6.452 531 HB2 PRO 87 2HB PRO 87 -2.370 -10.824 -7.392 532 HB3 PRO 87 1HB PRO 87 -3.382 -9.652 -8.240 533 HG2 PRO 87 2HG PRO 87 -0.772 -9.243 -7.190 534 HG3 PRO 87 1HG PRO 87 -1.838 -8.036 -7.925 535 HD2 PRO 87 2HD PRO 87 -1.313 -8.603 -5.063 536 HD3 PRO 87 1HD PRO 87 -1.818 -7.093 -5.845 537 H THR 88 H THR 88 -5.442 -11.393 -5.227 538 HA THR 88 HA THR 88 -3.450 -13.155 -4.012 539 HB THR 88 HB THR 88 -4.220 -11.588 -2.253 540 HG1 THR 88 1HG THR 88 -4.815 -13.227 -0.773 541 HG21 THR 88 3HG2 THR 88 -6.335 -10.944 -2.197 542 HG22 THR 88 1HG2 THR 88 -6.730 -12.548 -1.578 543 HG23 THR 88 2HG2 THR 88 -6.825 -12.221 -3.309 544 H LEU 89 H LEU 89 -4.420 -15.261 -3.342 545 HA LEU 89 HA LEU 89 -6.302 -16.119 -5.389 546 HB2 LEU 89 2HB LEU 89 -4.463 -17.533 -3.492 547 HB3 LEU 89 1HB LEU 89 -5.760 -18.413 -4.278 548 HG LEU 89 HG LEU 89 -3.618 -18.660 -5.459 549 HD11 LEU 89 1HD1 LEU 89 -5.524 -17.026 -7.117 550 HD12 LEU 89 2HD1 LEU 89 -5.844 -18.691 -6.633 551 HD13 LEU 89 3HD1 LEU 89 -4.451 -18.321 -7.650 552 HD21 LEU 89 3HD2 LEU 89 -2.670 -16.743 -6.661 553 HD22 LEU 89 1HD2 LEU 89 -2.626 -16.511 -4.914 554 HD23 LEU 89 2HD2 LEU 89 -3.845 -15.682 -5.883 555 H PHE 90 H PHE 90 -6.065 -15.809 -1.912 556 HA PHE 90 HA PHE 90 -7.553 -16.065 -0.216 557 HB2 PHE 90 2HB PHE 90 -8.691 -14.221 -1.053 558 HB3 PHE 90 1HB PHE 90 -9.273 -15.083 -2.471 559 HD1 PHE 90 1HD PHE 90 -9.606 -14.973 1.231 560 HD2 PHE 90 2HD PHE 90 -11.431 -15.927 -2.492 561 HE1 PHE 90 1HE PHE 90 -11.735 -15.398 2.389 562 HE2 PHE 90 2HE PHE 90 -13.564 -16.354 -1.342 563 HZ PHE 90 HZ PHE 90 -13.718 -16.089 1.102 564 H ASP 91 H ASP 91 -7.915 -17.940 0.652 565 HA ASP 91 HA ASP 91 -10.040 -19.590 0.299 566 HB2 ASP 91 2HB ASP 91 -8.106 -19.994 -1.843 567 HB3 ASP 91 1HB ASP 91 -8.402 -21.478 -0.939 568 H MET 92 H MET 92 -6.701 -20.776 0.144 569 HA MET 92 HA MET 92 -7.006 -22.338 2.496 570 HB2 MET 92 2HB MET 92 -4.987 -21.922 0.446 571 HB3 MET 92 1HB MET 92 -4.267 -22.090 2.048 572 HG2 MET 92 2HG MET 92 -4.366 -24.277 1.640 573 HG3 MET 92 1HG MET 92 -6.073 -24.121 2.050 574 HE1 MET 92 3HE MET 92 -8.073 -24.792 -0.006 575 HE2 MET 92 1HE MET 92 -7.770 -23.687 -1.346 576 HE3 MET 92 2HE MET 92 -7.669 -23.106 0.316 577 H ASN 93 H ASN 93 -6.101 -19.070 1.945 578 HA ASN 93 HA ASN 93 -4.373 -18.475 3.998 579 HB2 ASN 93 2HB ASN 93 -6.472 -16.976 2.537 580 HB3 ASN 93 1HB ASN 93 -5.928 -16.271 4.056 581 HD21 ASN 93 1HD2 ASN 93 -3.574 -16.016 4.306 582 HD22 ASN 93 2HD2 ASN 93 -2.649 -15.591 2.911 583 H ASN 94 H ASN 94 -7.897 -18.794 4.157 584 HA ASN 94 HA ASN 94 -9.353 -18.865 5.915 585 HB2 ASN 94 2HB ASN 94 -7.023 -20.330 7.168 586 HB3 ASN 94 1HB ASN 94 -8.688 -20.387 7.737 587 HD21 ASN 94 1HD2 ASN 94 -6.520 -22.158 6.222 588 HD22 ASN 94 2HD2 ASN 94 -7.517 -23.050 5.129 589 H MET 95 H MET 95 -7.543 -16.532 5.801 590 HA MET 95 HA MET 95 -8.262 -15.342 8.261 591 HB2 MET 95 2HB MET 95 -5.544 -16.505 8.037 592 HB3 MET 95 1HB MET 95 -5.644 -14.885 8.714 593 HG2 MET 95 2HG MET 95 -7.587 -16.098 10.120 594 HG3 MET 95 1HG MET 95 -6.512 -17.464 9.830 595 HE1 MET 95 3HE MET 95 -5.324 -17.390 13.007 596 HE2 MET 95 1HE MET 95 -6.916 -17.433 12.250 597 HE3 MET 95 2HE MET 95 -6.503 -16.126 13.359 598 H ASP 96 H ASP 96 -8.459 -14.809 5.449 599 HA ASP 96 HA ASP 96 -6.630 -12.663 4.841 600 HB2 ASP 96 2HB ASP 96 -8.095 -14.355 3.287 601 HB3 ASP 96 1HB ASP 96 -9.091 -12.905 3.234 602 H LEU 97 H LEU 97 -6.831 -10.770 5.842 603 HA LEU 97 HA LEU 97 -9.547 -9.703 6.260 604 HB2 LEU 97 2HB LEU 97 -7.451 -10.150 8.141 605 HB3 LEU 97 1HB LEU 97 -7.701 -8.421 8.003 606 HG LEU 97 HG LEU 97 -9.024 -9.436 9.820 607 HD11 LEU 97 1HD1 LEU 97 -10.286 -8.031 7.525 608 HD12 LEU 97 2HD1 LEU 97 -10.020 -7.483 9.180 609 HD13 LEU 97 3HD1 LEU 97 -11.322 -8.619 8.826 610 HD21 LEU 97 3HD2 LEU 97 -9.386 -11.552 8.250 611 HD22 LEU 97 1HD2 LEU 97 -10.876 -10.687 7.875 612 HD23 LEU 97 2HD2 LEU 97 -10.511 -11.131 9.542 613 H LEU 98 H LEU 98 -9.509 -8.638 4.246 614 HA LEU 98 HA LEU 98 -7.435 -6.800 3.546 615 HB2 LEU 98 2HB LEU 98 -10.121 -7.501 2.451 616 HB3 LEU 98 1HB LEU 98 -9.356 -6.016 1.921 617 HG LEU 98 HG LEU 98 -7.632 -8.399 1.787 618 HD11 LEU 98 1HD1 LEU 98 -9.878 -9.294 1.153 619 HD12 LEU 98 2HD1 LEU 98 -8.668 -9.376 -0.126 620 HD13 LEU 98 3HD1 LEU 98 -9.910 -8.123 -0.164 621 HD21 LEU 98 3HD2 LEU 98 -7.242 -7.384 -0.500 622 HD22 LEU 98 1HD2 LEU 98 -6.797 -6.386 0.884 623 HD23 LEU 98 2HD2 LEU 98 -8.296 -6.066 0.010 624 H LYS 99 H LYS 99 -9.960 -6.644 5.756 625 HA LYS 99 HA LYS 99 -10.941 -4.058 5.537 626 HB2 LYS 99 2HB LYS 99 -10.472 -5.813 7.939 627 HB3 LYS 99 1HB LYS 99 -11.265 -4.248 8.054 628 HG2 LYS 99 2HG LYS 99 -12.498 -5.752 5.969 629 HG3 LYS 99 1HG LYS 99 -12.407 -6.747 7.423 630 HD2 LYS 99 2HD LYS 99 -13.468 -4.951 8.712 631 HD3 LYS 99 1HD LYS 99 -13.565 -3.965 7.252 632 HE2 LYS 99 2HE LYS 99 -14.874 -5.916 6.242 633 HE3 LYS 99 1HE LYS 99 -15.021 -6.511 7.895 634 HZ1 LYS 99 3HZ LYS 99 -15.789 -3.743 7.242 635 HZ2 LYS 99 1HZ LYS 99 -16.322 -4.726 8.512 636 HZ3 LYS 99 2HZ LYS 99 -16.861 -5.015 6.935 637 H GLN 100 H GLN 100 -7.790 -5.102 6.439 638 HA GLN 100 HA GLN 100 -7.068 -2.854 8.031 639 HB2 GLN 100 2HB GLN 100 -5.689 -5.171 6.823 640 HB3 GLN 100 1HB GLN 100 -4.691 -3.741 7.050 641 HG2 GLN 100 2HG GLN 100 -4.860 -3.816 9.340 642 HG3 GLN 100 1HG GLN 100 -6.373 -4.719 9.305 643 HE21 GLN 100 1HE2 GLN 100 -6.308 -6.863 9.516 644 HE22 GLN 100 2HE2 GLN 100 -4.870 -7.818 9.532 645 H ALA 101 H ALA 101 -6.475 -3.752 4.656 646 HA ALA 101 HA ALA 101 -5.110 -1.422 3.893 647 HB1 ALA 101 1HB ALA 101 -4.846 -2.825 2.176 648 HB2 ALA 101 2HB ALA 101 -6.429 -2.281 1.621 649 HB3 ALA 101 3HB ALA 101 -6.292 -3.741 2.604 650 H LEU 102 H LEU 102 -8.541 -2.305 3.636 651 HA LEU 102 HA LEU 102 -9.438 0.061 2.430 652 HB2 LEU 102 2HB LEU 102 -10.695 -2.155 3.957 653 HB3 LEU 102 1HB LEU 102 -11.621 -0.676 3.795 654 HG LEU 102 HG LEU 102 -10.848 -1.083 1.215 655 HD11 LEU 102 1HD1 LEU 102 -11.503 -3.826 2.254 656 HD12 LEU 102 2HD1 LEU 102 -9.848 -3.281 1.977 657 HD13 LEU 102 3HD1 LEU 102 -10.988 -3.363 0.633 658 HD21 LEU 102 3HD2 LEU 102 -13.071 -1.323 0.818 659 HD22 LEU 102 1HD2 LEU 102 -13.161 -0.794 2.498 660 HD23 LEU 102 2HD2 LEU 102 -13.288 -2.508 2.105 661 H LEU 103 H LEU 103 -8.832 -0.768 5.780 662 HA LEU 103 HA LEU 103 -10.117 1.496 6.908 663 HB2 LEU 103 2HB LEU 103 -8.327 -0.652 7.863 664 HB3 LEU 103 1HB LEU 103 -8.322 0.830 8.801 665 HG LEU 103 HG LEU 103 -10.957 -0.386 8.133 666 HD11 LEU 103 1HD1 LEU 103 -9.723 -1.360 10.616 667 HD12 LEU 103 2HD1 LEU 103 -9.075 -2.051 9.129 668 HD13 LEU 103 3HD1 LEU 103 -10.799 -2.176 9.482 669 HD21 LEU 103 3HD2 LEU 103 -10.237 0.604 10.818 670 HD22 LEU 103 1HD2 LEU 103 -11.704 0.850 9.867 671 HD23 LEU 103 2HD2 LEU 103 -10.255 1.793 9.516 672 H ILE 104 H ILE 104 -6.823 0.809 5.867 673 HA ILE 104 HA ILE 104 -5.559 3.065 6.926 674 HB ILE 104 HB ILE 104 -4.902 1.574 4.380 675 HG12 ILE 104 2HG1 ILE 104 -3.340 1.243 6.886 676 HG13 ILE 104 1HG1 ILE 104 -4.945 0.519 6.852 677 HG21 ILE 104 1HG2 ILE 104 -3.598 3.825 5.774 678 HG22 ILE 104 2HG2 ILE 104 -3.557 3.364 4.073 679 HG23 ILE 104 3HG2 ILE 104 -2.539 2.521 5.240 680 HD11 ILE 104 3HD1 ILE 104 -2.577 -0.554 5.860 681 HD12 ILE 104 1HD1 ILE 104 -3.513 -0.093 4.438 682 HD13 ILE 104 2HD1 ILE 104 -4.211 -1.179 5.641 683 H LEU 105 H LEU 105 -6.994 2.595 3.690 684 HA LEU 105 HA LEU 105 -6.478 5.220 2.798 685 HB2 LEU 105 2HB LEU 105 -6.903 3.782 1.056 686 HB3 LEU 105 1HB LEU 105 -8.213 2.975 1.892 687 HG LEU 105 HG LEU 105 -8.800 4.368 -0.164 688 HD11 LEU 105 1HD1 LEU 105 -10.259 3.632 1.942 689 HD12 LEU 105 2HD1 LEU 105 -10.912 4.583 0.605 690 HD13 LEU 105 3HD1 LEU 105 -10.410 5.387 2.094 691 HD21 LEU 105 3HD2 LEU 105 -8.557 6.590 -0.201 692 HD22 LEU 105 1HD2 LEU 105 -7.364 6.319 1.071 693 HD23 LEU 105 2HD2 LEU 105 -9.020 6.772 1.493 694 H HIS 106 H HIS 106 -9.435 3.727 4.116 695 HA HIS 106 HA HIS 106 -11.063 5.983 4.034 696 HB2 HIS 106 2HB HIS 106 -11.161 3.353 5.209 697 HB3 HIS 106 1HB HIS 106 -11.795 4.538 6.342 698 HD1 HIS 106 1HD HIS 106 -12.291 5.143 2.704 699 HD2 HIS 106 2HD HIS 106 -14.404 3.554 5.908 700 HE1 HIS 106 1HE HIS 106 -14.669 4.953 1.911 701 HE2 HIS 106 2HE HIS 106 -15.913 3.915 3.840 702 H ASN 107 H ASN 107 -9.281 4.711 6.854 703 HA ASN 107 HA ASN 107 -9.801 6.856 8.557 704 HB2 ASN 107 2HB ASN 107 -8.633 4.488 8.920 705 HB3 ASN 107 1HB ASN 107 -7.179 5.473 8.791 706 HD21 ASN 107 1HD2 ASN 107 -7.535 7.666 10.076 707 HD22 ASN 107 2HD2 ASN 107 -8.036 7.430 11.713 708 H ASP 108 H ASP 108 -7.651 6.638 5.883 709 HA ASP 108 HA ASP 108 -5.814 8.655 6.688 710 HB2 ASP 108 2HB ASP 108 -6.239 6.967 4.371 711 HB3 ASP 108 1HB ASP 108 -5.824 8.609 3.891 712 H LEU 109 H LEU 109 -8.814 8.651 4.830 713 HA LEU 109 HA LEU 109 -8.612 11.553 4.482 714 HB2 LEU 109 2HB LEU 109 -10.152 9.386 3.145 715 HB3 LEU 109 1HB LEU 109 -10.844 11.000 3.160 716 HG LEU 109 HG LEU 109 -8.035 10.569 2.204 717 HD11 LEU 109 1HD1 LEU 109 -8.883 9.153 0.664 718 HD12 LEU 109 2HD1 LEU 109 -9.397 10.658 -0.107 719 HD13 LEU 109 3HD1 LEU 109 -10.534 9.739 0.880 720 HD21 LEU 109 3HD2 LEU 109 -10.060 12.708 2.166 721 HD22 LEU 109 1HD2 LEU 109 -9.135 12.494 0.675 722 HD23 LEU 109 2HD2 LEU 109 -8.296 12.802 2.196 723 H HIS 110 H HIS 110 -10.728 9.073 5.847 724 HA HIS 110 HA HIS 110 -12.817 10.721 6.681 725 HB2 HIS 110 2HB HIS 110 -11.786 8.054 7.562 726 HB3 HIS 110 1HB HIS 110 -13.034 8.853 8.516 727 HD1 HIS 110 1HD HIS 110 -14.763 10.003 6.253 728 HD2 HIS 110 2HD HIS 110 -13.236 6.141 6.279 729 HE1 HIS 110 1HE HIS 110 -16.266 8.679 4.734 730 HE2 HIS 110 2HE HIS 110 -15.268 6.368 4.694 731 H GLU 111 H GLU 111 -9.664 10.201 8.057 732 HA GLU 111 HA GLU 111 -10.125 11.036 10.683 733 HB2 GLU 111 2HB GLU 111 -8.028 9.984 9.985 734 HB3 GLU 111 1HB GLU 111 -7.644 11.378 8.985 735 HG2 GLU 111 2HG GLU 111 -8.060 12.493 11.455 736 HG3 GLU 111 1HG GLU 111 -7.279 10.958 11.834 737 H TYR 112 H TYR 112 -8.667 13.010 8.085 738 HA TYR 112 HA TYR 112 -10.323 15.224 8.340 739 HB2 TYR 112 2HB TYR 112 -8.780 14.989 10.626 740 HB3 TYR 112 1HB TYR 112 -7.886 16.165 9.654 741 HD1 TYR 112 2HD TYR 112 -8.878 18.319 9.088 742 HD2 TYR 112 1HD TYR 112 -10.962 15.522 11.519 743 HE1 TYR 112 2HE TYR 112 -10.422 20.097 9.797 744 HE2 TYR 112 1HE TYR 112 -12.520 17.291 12.228 745 HH TYR 112 HH TYR 112 -12.091 20.228 12.232 746 H VAL 113 H VAL 113 -6.791 14.716 8.248 747 HA VAL 113 HA VAL 113 -5.199 15.523 6.821 748 HB VAL 113 HB VAL 113 -6.061 13.582 5.599 749 HG11 VAL 113 1HG1 VAL 113 -7.907 15.611 4.364 750 HG12 VAL 113 2HG1 VAL 113 -8.331 14.127 5.217 751 HG13 VAL 113 3HG1 VAL 113 -7.565 14.038 3.628 752 HG21 VAL 113 3HG2 VAL 113 -5.556 15.527 3.432 753 HG22 VAL 113 1HG2 VAL 113 -4.778 13.978 3.773 754 HG23 VAL 113 2HG2 VAL 113 -4.340 15.409 4.702 755 H GLU 114 H GLU 114 -6.733 17.626 7.774 756 HA GLU 114 HA GLU 114 -6.662 19.437 5.476 757 HB2 GLU 114 2HB GLU 114 -9.027 18.714 6.181 758 HB3 GLU 114 1HB GLU 114 -8.767 19.717 7.597 759 HG2 GLU 114 2HG GLU 114 -8.945 21.645 6.449 760 HG3 GLU 114 1HG GLU 114 -8.202 20.972 5.000 Start of MODEL 7 1 H THR 26 H THR 26 -13.805 -11.851 -6.326 2 HA THR 26 HA THR 26 -11.840 -12.034 -4.135 3 HB THR 26 HB THR 26 -13.433 -13.800 -3.875 4 HG1 THR 26 1HG THR 26 -11.956 -15.270 -3.658 5 HG21 THR 26 3HG2 THR 26 -14.021 -15.387 -5.560 6 HG22 THR 26 1HG2 THR 26 -12.925 -14.635 -6.717 7 HG23 THR 26 2HG2 THR 26 -14.360 -13.767 -6.169 8 H SER 27 H SER 27 -9.953 -13.539 -4.776 9 HA SER 27 HA SER 27 -8.164 -14.007 -6.108 10 HB2 SER 27 2HB SER 27 -9.595 -13.135 -8.587 11 HB3 SER 27 1HB SER 27 -8.479 -14.480 -8.353 12 H LYS 28 H LYS 28 -9.796 -11.270 -7.715 13 HA LYS 28 HA LYS 28 -7.301 -9.740 -7.397 14 HB2 LYS 28 2HB LYS 28 -9.120 -10.104 -9.667 15 HB3 LYS 28 1HB LYS 28 -8.715 -8.424 -9.353 16 HG2 LYS 28 2HG LYS 28 -6.969 -8.872 -10.687 17 HG3 LYS 28 1HG LYS 28 -6.267 -9.528 -9.206 18 HD2 LYS 28 2HD LYS 28 -7.248 -11.753 -9.856 19 HD3 LYS 28 1HD LYS 28 -7.651 -11.035 -11.417 20 HE2 LYS 28 2HE LYS 28 -4.860 -10.993 -10.305 21 HE3 LYS 28 1HE LYS 28 -5.468 -12.343 -11.263 22 HZ1 LYS 28 3HZ LYS 28 -5.960 -10.746 -13.052 23 HZ2 LYS 28 1HZ LYS 28 -4.311 -10.811 -12.677 24 HZ3 LYS 28 2HZ LYS 28 -5.252 -9.513 -12.136 25 H GLN 29 H GLN 29 -7.361 -7.824 -6.367 26 HA GLN 29 HA GLN 29 -9.936 -6.521 -5.917 27 HB2 GLN 29 2HB GLN 29 -8.107 -7.518 -3.740 28 HB3 GLN 29 1HB GLN 29 -9.213 -6.171 -3.471 29 HG2 GLN 29 2HG GLN 29 -10.194 -8.791 -4.536 30 HG3 GLN 29 1HG GLN 29 -9.962 -8.530 -2.807 31 HE21 GLN 29 1HE2 GLN 29 -10.868 -6.176 -2.226 32 HE22 GLN 29 2HE2 GLN 29 -12.512 -5.948 -2.707 33 H GLU 30 H GLU 30 -9.837 -4.330 -5.675 34 HA GLU 30 HA GLU 30 -7.181 -3.094 -5.663 35 HB2 GLU 30 2HB GLU 30 -7.628 -1.740 -7.532 36 HB3 GLU 30 1HB GLU 30 -8.163 -3.349 -7.998 37 HG2 GLU 30 2HG GLU 30 -9.940 -1.108 -7.055 38 HG3 GLU 30 1HG GLU 30 -9.729 -1.632 -8.725 39 H LEU 31 H LEU 31 -7.016 -1.495 -4.240 40 HA LEU 31 HA LEU 31 -9.498 -0.302 -3.196 41 HB2 LEU 31 2HB LEU 31 -6.833 -0.387 -1.794 42 HB3 LEU 31 1HB LEU 31 -8.390 0.038 -1.109 43 HG LEU 31 HG LEU 31 -8.757 -2.554 -2.056 44 HD11 LEU 31 1HD1 LEU 31 -6.490 -3.038 -2.391 45 HD12 LEU 31 2HD1 LEU 31 -6.872 -3.727 -0.813 46 HD13 LEU 31 3HD1 LEU 31 -6.003 -2.196 -0.919 47 HD21 LEU 31 3HD2 LEU 31 -9.751 -1.781 -0.045 48 HD22 LEU 31 1HD2 LEU 31 -8.179 -1.456 0.686 49 HD23 LEU 31 2HD2 LEU 31 -8.690 -3.119 0.394 50 H ILE 32 H ILE 32 -9.790 1.840 -3.350 51 HA ILE 32 HA ILE 32 -7.758 3.395 -4.735 52 HB ILE 32 HB ILE 32 -9.490 5.146 -4.882 53 HG12 ILE 32 2HG1 ILE 32 -11.810 3.678 -4.178 54 HG13 ILE 32 1HG1 ILE 32 -10.706 3.567 -2.812 55 HG21 ILE 32 1HG2 ILE 32 -9.803 2.416 -5.941 56 HG22 ILE 32 2HG2 ILE 32 -9.665 3.957 -6.788 57 HG23 ILE 32 3HG2 ILE 32 -11.211 3.467 -6.094 58 HD11 ILE 32 3HD1 ILE 32 -10.631 5.910 -2.565 59 HD12 ILE 32 1HD1 ILE 32 -12.325 5.472 -2.765 60 HD13 ILE 32 2HD1 ILE 32 -11.434 6.169 -4.117 61 H LEU 33 H LEU 33 -6.892 5.335 -3.967 62 HA LEU 33 HA LEU 33 -7.393 6.019 -1.166 63 HB2 LEU 33 2HB LEU 33 -4.560 6.007 -2.093 64 HB3 LEU 33 1HB LEU 33 -5.208 5.839 -0.466 65 HG LEU 33 HG LEU 33 -6.077 3.535 -1.330 66 HD11 LEU 33 1HD1 LEU 33 -3.679 3.590 -3.074 67 HD12 LEU 33 2HD1 LEU 33 -5.165 4.309 -3.696 68 HD13 LEU 33 3HD1 LEU 33 -5.147 2.619 -3.192 69 HD21 LEU 33 3HD2 LEU 33 -4.579 3.263 0.342 70 HD22 LEU 33 1HD2 LEU 33 -3.412 4.377 -0.371 71 HD23 LEU 33 2HD2 LEU 33 -3.547 2.727 -0.983 72 H VAL 34 H VAL 34 -6.644 8.153 -0.576 73 HA VAL 34 HA VAL 34 -5.768 9.937 -2.674 74 HB VAL 34 HB VAL 34 -8.431 10.449 -1.349 75 HG11 VAL 34 1HG1 VAL 34 -8.553 12.425 -2.551 76 HG12 VAL 34 2HG1 VAL 34 -7.343 11.906 -3.724 77 HG13 VAL 34 3HG1 VAL 34 -6.850 12.367 -2.094 78 HG21 VAL 34 3HG2 VAL 34 -7.787 9.492 -4.136 79 HG22 VAL 34 1HG2 VAL 34 -9.367 10.119 -3.638 80 HG23 VAL 34 2HG2 VAL 34 -8.723 8.647 -2.902 81 H LEU 35 H LEU 35 -4.351 11.229 -1.803 82 HA LEU 35 HA LEU 35 -4.188 11.552 1.062 83 HB2 LEU 35 2HB LEU 35 -2.364 11.452 -1.013 84 HB3 LEU 35 1HB LEU 35 -2.367 13.144 -0.568 85 HG LEU 35 HG LEU 35 -2.219 11.712 1.855 86 HD11 LEU 35 1HD1 LEU 35 -0.450 10.192 1.632 87 HD12 LEU 35 2HD1 LEU 35 -0.080 10.726 -0.008 88 HD13 LEU 35 3HD1 LEU 35 -1.543 9.805 0.313 89 HD21 LEU 35 3HD2 LEU 35 -0.492 13.112 2.240 90 HD22 LEU 35 1HD2 LEU 35 -1.092 13.906 0.787 91 HD23 LEU 35 2HD2 LEU 35 0.265 12.784 0.682 92 H LYS 36 H LYS 36 -3.382 13.927 1.671 93 HA LYS 36 HA LYS 36 -5.680 15.585 1.365 94 HB2 LYS 36 2HB LYS 36 -2.997 16.144 2.641 95 HB3 LYS 36 1HB LYS 36 -4.398 17.198 2.754 96 HG2 LYS 36 2HG LYS 36 -5.638 15.373 3.865 97 HG3 LYS 36 1HG LYS 36 -4.178 14.397 3.822 98 HD2 LYS 36 2HD LYS 36 -4.371 15.426 5.998 99 HD3 LYS 36 1HD LYS 36 -3.011 16.148 5.138 100 HE2 LYS 36 2HE LYS 36 -4.371 18.074 4.555 101 HE3 LYS 36 1HE LYS 36 -5.785 17.338 5.307 102 HZ1 LYS 36 3HZ LYS 36 -3.438 17.614 6.999 103 HZ2 LYS 36 1HZ LYS 36 -5.075 17.858 7.364 104 HZ3 LYS 36 2HZ LYS 36 -4.197 19.057 6.557 105 H GLY 37 H GLY 37 -2.327 15.766 0.226 106 HA2 GLY 37 2HA GLY 37 -1.979 16.567 -2.063 107 HA3 GLY 37 1HA GLY 37 -3.219 17.776 -1.744 108 H GLU 38 H GLU 38 -0.717 16.918 0.553 109 HA GLU 38 HA GLU 38 0.128 19.665 0.713 110 HB2 GLU 38 2HB GLU 38 1.749 18.750 2.419 111 HB3 GLU 38 1HB GLU 38 0.048 18.477 2.771 112 HG2 GLU 38 2HG GLU 38 0.339 16.283 2.837 113 HG3 GLU 38 1HG GLU 38 1.112 16.280 1.253 114 H LEU 39 H LEU 39 1.496 20.521 -0.696 115 HA LEU 39 HA LEU 39 3.247 20.802 -2.108 116 HB2 LEU 39 2HB LEU 39 4.222 19.270 0.084 117 HB3 LEU 39 1HB LEU 39 4.987 18.671 -1.374 118 HG LEU 39 HG LEU 39 4.984 21.589 -1.177 119 HD11 LEU 39 1HD1 LEU 39 5.304 20.504 1.236 120 HD12 LEU 39 2HD1 LEU 39 6.201 21.930 0.704 121 HD13 LEU 39 3HD1 LEU 39 6.950 20.330 0.641 122 HD21 LEU 39 3HD2 LEU 39 7.490 20.064 -1.326 123 HD22 LEU 39 1HD2 LEU 39 6.891 21.371 -2.347 124 HD23 LEU 39 2HD2 LEU 39 6.328 19.721 -2.602 125 H ASP 40 H ASP 40 4.697 19.588 -3.749 126 HA ASP 40 HA ASP 40 2.969 17.688 -5.128 127 HB2 ASP 40 2HB ASP 40 3.971 19.790 -6.231 128 HB3 ASP 40 1HB ASP 40 5.492 18.903 -6.235 129 H LEU 41 H LEU 41 3.484 15.931 -3.679 130 HA LEU 41 HA LEU 41 5.805 14.450 -4.608 131 HB2 LEU 41 2HB LEU 41 5.470 15.468 -1.828 132 HB3 LEU 41 1HB LEU 41 6.152 13.870 -2.039 133 HG LEU 41 HG LEU 41 7.312 16.194 -3.520 134 HD11 LEU 41 1HD1 LEU 41 7.397 17.061 -1.357 135 HD12 LEU 41 2HD1 LEU 41 8.971 16.296 -1.582 136 HD13 LEU 41 3HD1 LEU 41 7.717 15.482 -0.641 137 HD21 LEU 41 3HD2 LEU 41 8.942 14.014 -2.381 138 HD22 LEU 41 1HD2 LEU 41 9.037 14.806 -3.964 139 HD23 LEU 41 2HD2 LEU 41 7.824 13.557 -3.669 140 H HIS 42 H HIS 42 5.237 12.410 -4.975 141 HA HIS 42 HA HIS 42 2.806 11.394 -3.682 142 HB2 HIS 42 2HB HIS 42 3.671 11.411 -6.394 143 HB3 HIS 42 1HB HIS 42 3.600 9.739 -5.865 144 HD1 HIS 42 1HD HIS 42 1.611 11.466 -7.834 145 HD2 HIS 42 2HD HIS 42 0.866 10.025 -4.013 146 HE1 HIS 42 1HE HIS 42 -0.890 11.294 -7.660 147 HE2 HIS 42 2HE HIS 42 -1.320 10.511 -5.307 148 H SER 43 H SER 43 5.422 11.355 -2.437 149 HA SER 43 HA SER 43 6.276 8.574 -2.587 150 HB2 SER 43 2HB SER 43 7.701 10.844 -2.210 151 HB3 SER 43 1HB SER 43 7.435 10.371 -0.534 152 HG SER 43 HG SER 43 8.975 8.990 -0.823 153 H LYS 44 H LYS 44 4.638 10.767 -0.381 154 HA LYS 44 HA LYS 44 4.633 9.129 1.901 155 HB2 LYS 44 2HB LYS 44 3.949 11.622 1.608 156 HB3 LYS 44 1HB LYS 44 2.359 10.973 1.245 157 HG2 LYS 44 2HG LYS 44 2.172 9.981 3.394 158 HG3 LYS 44 1HG LYS 44 3.865 10.322 3.757 159 HD2 LYS 44 2HD LYS 44 2.023 12.576 3.088 160 HD3 LYS 44 1HD LYS 44 1.978 11.869 4.706 161 HE2 LYS 44 2HE LYS 44 4.639 12.173 4.379 162 HE3 LYS 44 1HE LYS 44 4.043 13.528 3.421 163 HZ1 LYS 44 3HZ LYS 44 2.857 13.159 6.060 164 HZ2 LYS 44 1HZ LYS 44 3.250 14.586 5.241 165 HZ3 LYS 44 2HZ LYS 44 4.458 13.695 6.021 166 H ASN 45 H ASN 45 2.548 9.244 -0.918 167 HA ASN 45 HA ASN 45 0.500 7.571 0.104 168 HB2 ASN 45 2HB ASN 45 1.076 8.934 -2.349 169 HB3 ASN 45 1HB ASN 45 0.642 7.267 -2.717 170 HD21 ASN 45 1HD2 ASN 45 -0.641 10.135 -2.713 171 HD22 ASN 45 2HD2 ASN 45 -2.243 9.810 -2.154 172 H MET 46 H MET 46 3.108 6.867 -2.230 173 HA MET 46 HA MET 46 2.678 4.105 -2.346 174 HB2 MET 46 2HB MET 46 4.944 5.920 -3.023 175 HB3 MET 46 1HB MET 46 5.271 4.189 -2.936 176 HG2 MET 46 2HG MET 46 3.703 3.722 -4.650 177 HG3 MET 46 1HG MET 46 3.063 5.363 -4.603 178 HE1 MET 46 3HE MET 46 7.036 3.827 -5.813 179 HE2 MET 46 1HE MET 46 5.895 3.432 -7.100 180 HE3 MET 46 2HE MET 46 5.559 2.938 -5.440 181 H LYS 47 H LYS 47 4.940 5.984 -0.347 182 HA LYS 47 HA LYS 47 6.160 3.843 0.963 183 HB2 LYS 47 2HB LYS 47 6.949 6.193 1.046 184 HB3 LYS 47 1HB LYS 47 5.585 6.587 2.083 185 HG2 LYS 47 2HG LYS 47 6.982 6.185 3.768 186 HG3 LYS 47 1HG LYS 47 6.725 4.477 3.399 187 HD2 LYS 47 2HD LYS 47 8.682 4.499 1.935 188 HD3 LYS 47 1HD LYS 47 8.933 6.216 2.282 189 HE2 LYS 47 2HE LYS 47 8.819 5.147 4.788 190 HE3 LYS 47 1HE LYS 47 9.595 3.850 3.883 191 HZ1 LYS 47 3HZ LYS 47 11.431 5.036 4.328 192 HZ2 LYS 47 1HZ LYS 47 10.592 6.488 4.553 193 HZ3 LYS 47 2HZ LYS 47 10.954 5.956 2.992 194 H ASN 48 H ASN 48 3.059 5.346 1.452 195 HA ASN 48 HA ASN 48 2.566 4.303 4.051 196 HB2 ASN 48 2HB ASN 48 1.089 5.814 2.027 197 HB3 ASN 48 1HB ASN 48 0.074 4.682 2.916 198 HD21 ASN 48 1HD2 ASN 48 0.385 7.682 2.886 199 HD22 ASN 48 2HD2 ASN 48 0.539 8.106 4.554 200 H VAL 49 H VAL 49 1.880 3.184 0.776 201 HA VAL 49 HA VAL 49 0.308 0.945 1.575 202 HB VAL 49 HB VAL 49 1.828 1.214 -1.015 203 HG11 VAL 49 1HG1 VAL 49 0.958 -0.835 -1.270 204 HG12 VAL 49 2HG1 VAL 49 -0.561 0.015 -1.552 205 HG13 VAL 49 3HG1 VAL 49 -0.190 -0.619 0.050 206 HG21 VAL 49 3HG2 VAL 49 -0.355 2.819 0.008 207 HG22 VAL 49 1HG2 VAL 49 -0.799 1.985 -1.481 208 HG23 VAL 49 2HG2 VAL 49 0.617 3.035 -1.447 209 H ILE 50 H ILE 50 3.644 1.196 0.332 210 HA ILE 50 HA ILE 50 4.375 -1.455 0.548 211 HB ILE 50 HB ILE 50 5.769 0.265 -0.522 212 HG12 ILE 50 2HG1 ILE 50 7.989 -0.489 0.591 213 HG13 ILE 50 1HG1 ILE 50 6.957 -1.487 1.609 214 HG21 ILE 50 1HG2 ILE 50 6.982 1.885 0.640 215 HG22 ILE 50 2HG2 ILE 50 6.737 1.087 2.194 216 HG23 ILE 50 3HG2 ILE 50 5.392 1.912 1.405 217 HD11 ILE 50 3HD1 ILE 50 5.991 -2.221 -0.744 218 HD12 ILE 50 1HD1 ILE 50 7.413 -2.981 -0.030 219 HD13 ILE 50 2HD1 ILE 50 7.604 -1.737 -1.266 220 H ASN 51 H ASN 51 4.063 0.956 3.052 221 HA ASN 51 HA ASN 51 5.468 -0.527 5.057 222 HB2 ASN 51 2HB ASN 51 3.984 2.009 4.900 223 HB3 ASN 51 1HB ASN 51 3.862 1.195 6.456 224 HD21 ASN 51 1HD2 ASN 51 5.207 2.165 7.788 225 HD22 ASN 51 2HD2 ASN 51 6.853 2.556 7.453 226 H ASN 52 H ASN 52 2.080 -0.115 4.145 227 HA ASN 52 HA ASN 52 1.128 -1.765 6.308 228 HB2 ASN 52 2HB ASN 52 -0.327 -0.725 3.866 229 HB3 ASN 52 1HB ASN 52 -1.081 -1.472 5.271 230 HD21 ASN 52 1HD2 ASN 52 -1.441 1.189 4.127 231 HD22 ASN 52 2HD2 ASN 52 -1.086 2.305 5.397 232 H ALA 53 H ALA 53 1.189 -2.080 2.760 233 HA ALA 53 HA ALA 53 0.210 -4.668 2.574 234 HB1 ALA 53 1HB ALA 53 2.352 -3.796 0.698 235 HB2 ALA 53 2HB ALA 53 0.840 -2.891 0.748 236 HB3 ALA 53 3HB ALA 53 0.826 -4.614 0.366 237 H LYS 54 H LYS 54 3.379 -3.547 3.491 238 HA LYS 54 HA LYS 54 4.615 -6.140 3.209 239 HB2 LYS 54 2HB LYS 54 5.898 -4.044 2.901 240 HB3 LYS 54 1HB LYS 54 5.645 -3.660 4.598 241 HG2 LYS 54 2HG LYS 54 7.682 -4.606 4.796 242 HG3 LYS 54 1HG LYS 54 6.727 -6.089 4.867 243 HD2 LYS 54 2HD LYS 54 6.988 -6.167 2.325 244 HD3 LYS 54 1HD LYS 54 8.245 -4.947 2.540 245 HE2 LYS 54 2HE LYS 54 9.603 -6.727 2.746 246 HE3 LYS 54 1HE LYS 54 8.987 -6.769 4.397 247 HZ1 LYS 54 3HZ LYS 54 7.962 -8.345 2.097 248 HZ2 LYS 54 1HZ LYS 54 7.283 -8.347 3.647 249 HZ3 LYS 54 2HZ LYS 54 8.847 -8.944 3.409 250 H LYS 55 H LYS 55 3.388 -4.121 5.840 251 HA LYS 55 HA LYS 55 4.236 -5.744 7.971 252 HB2 LYS 55 2HB LYS 55 2.330 -3.533 7.591 253 HB3 LYS 55 1HB LYS 55 1.934 -4.615 8.920 254 HG2 LYS 55 2HG LYS 55 4.682 -4.091 9.137 255 HG3 LYS 55 1HG LYS 55 3.908 -2.545 8.787 256 HD2 LYS 55 2HD LYS 55 2.701 -2.551 10.736 257 HD3 LYS 55 1HD LYS 55 2.666 -4.313 10.833 258 HE2 LYS 55 2HE LYS 55 5.210 -2.767 11.181 259 HE3 LYS 55 1HE LYS 55 4.108 -3.046 12.529 260 HZ1 LYS 55 3HZ LYS 55 5.487 -5.106 10.899 261 HZ2 LYS 55 1HZ LYS 55 4.305 -5.450 12.060 262 HZ3 LYS 55 2HZ LYS 55 5.764 -4.746 12.522 263 H ASN 56 H ASN 56 1.368 -5.828 5.936 264 HA ASN 56 HA ASN 56 0.021 -7.839 7.452 265 HB2 ASN 56 2HB ASN 56 -0.363 -6.874 4.609 266 HB3 ASN 56 1HB ASN 56 -1.434 -8.021 5.421 267 HD21 ASN 56 1HD2 ASN 56 -1.324 -4.987 4.488 268 HD22 ASN 56 2HD2 ASN 56 -2.209 -4.209 5.751 269 H LEU 57 H LEU 57 1.921 -7.855 4.452 270 HA LEU 57 HA LEU 57 1.714 -10.488 3.717 271 HB2 LEU 57 2HB LEU 57 3.405 -8.301 3.109 272 HB3 LEU 57 1HB LEU 57 4.446 -9.686 3.402 273 HG LEU 57 HG LEU 57 3.979 -9.575 1.059 274 HD11 LEU 57 1HD1 LEU 57 2.982 -11.756 2.705 275 HD12 LEU 57 2HD1 LEU 57 4.025 -11.791 1.285 276 HD13 LEU 57 3HD1 LEU 57 2.275 -11.719 1.090 277 HD21 LEU 57 3HD2 LEU 57 1.049 -9.925 1.436 278 HD22 LEU 57 1HD2 LEU 57 1.940 -9.197 0.098 279 HD23 LEU 57 2HD2 LEU 57 1.727 -8.306 1.605 280 H GLU 58 H GLU 58 4.262 -9.133 5.814 281 HA GLU 58 HA GLU 58 5.396 -11.611 6.505 282 HB2 GLU 58 2HB GLU 58 6.476 -10.380 8.353 283 HB3 GLU 58 1HB GLU 58 6.615 -9.535 6.818 284 HG2 GLU 58 2HG GLU 58 4.407 -8.361 7.711 285 HG3 GLU 58 1HG GLU 58 5.118 -8.805 9.263 286 H LYS 59 H LYS 59 2.625 -9.899 7.709 287 HA LYS 59 HA LYS 59 2.352 -11.064 10.232 288 HB2 LYS 59 2HB LYS 59 0.839 -9.360 8.592 289 HB3 LYS 59 1HB LYS 59 -0.215 -10.723 8.941 290 HG2 LYS 59 2HG LYS 59 0.300 -10.388 11.366 291 HG3 LYS 59 1HG LYS 59 1.137 -8.902 10.915 292 HD2 LYS 59 2HD LYS 59 -0.816 -7.837 10.293 293 HD3 LYS 59 1HD LYS 59 -1.667 -9.352 9.989 294 HE2 LYS 59 2HE LYS 59 -2.522 -8.260 11.992 295 HE3 LYS 59 1HE LYS 59 -1.747 -9.792 12.391 296 HZ1 LYS 59 3HZ LYS 59 0.303 -8.150 12.689 297 HZ2 LYS 59 1HZ LYS 59 -0.771 -8.507 13.948 298 HZ3 LYS 59 2HZ LYS 59 -0.947 -7.076 13.065 299 H TYR 60 H TYR 60 1.478 -12.239 7.035 300 HA TYR 60 HA TYR 60 0.142 -14.582 8.070 301 HB2 TYR 60 2HB TYR 60 1.031 -14.232 5.216 302 HB3 TYR 60 1HB TYR 60 -0.355 -15.131 5.839 303 HD1 TYR 60 2HD TYR 60 -2.265 -13.767 6.882 304 HD2 TYR 60 1HD TYR 60 0.771 -12.047 4.450 305 HE1 TYR 60 2HE TYR 60 -3.716 -11.827 6.453 306 HE2 TYR 60 1HE TYR 60 -0.671 -10.102 4.014 307 HH TYR 60 HH TYR 60 -3.552 -9.519 5.772 308 H PHE 61 H PHE 61 3.282 -13.735 6.765 309 HA PHE 61 HA PHE 61 4.243 -16.388 6.450 310 HB2 PHE 61 2HB PHE 61 5.142 -13.976 5.641 311 HB3 PHE 61 1HB PHE 61 6.191 -14.231 7.038 312 HD1 PHE 61 1HD PHE 61 7.115 -16.791 7.110 313 HD2 PHE 61 2HD PHE 61 6.019 -14.600 3.630 314 HE1 PHE 61 1HE PHE 61 8.578 -18.227 5.751 315 HE2 PHE 61 2HE PHE 61 7.480 -16.034 2.264 316 HZ PHE 61 HZ PHE 61 8.761 -17.850 3.324 317 H LYS 62 H LYS 62 4.075 -14.175 9.139 318 HA LYS 62 HA LYS 62 5.855 -15.778 10.775 319 HB2 LYS 62 2HB LYS 62 4.907 -13.090 10.808 320 HB3 LYS 62 1HB LYS 62 4.456 -13.845 12.331 321 HG2 LYS 62 2HG LYS 62 7.015 -14.665 12.128 322 HG3 LYS 62 1HG LYS 62 7.106 -13.117 11.287 323 HD2 LYS 62 2HD LYS 62 7.380 -12.272 13.355 324 HD3 LYS 62 1HD LYS 62 5.627 -12.445 13.462 325 HE2 LYS 62 2HE LYS 62 7.409 -14.729 14.201 326 HE3 LYS 62 1HE LYS 62 7.146 -13.411 15.343 327 HZ1 LYS 62 3HZ LYS 62 4.948 -14.952 14.076 328 HZ2 LYS 62 1HZ LYS 62 4.821 -13.839 15.344 329 HZ3 LYS 62 2HZ LYS 62 5.598 -15.320 15.593 330 H GLU 63 H GLU 63 2.448 -15.426 10.220 331 HA GLU 63 HA GLU 63 1.809 -16.934 12.641 332 HB2 GLU 63 2HB GLU 63 0.536 -14.834 11.446 333 HB3 GLU 63 1HB GLU 63 -0.397 -16.202 10.839 334 HG2 GLU 63 2HG GLU 63 0.137 -16.354 13.698 335 HG3 GLU 63 1HG GLU 63 -0.773 -14.918 13.233 336 H HIS 64 H HIS 64 1.402 -17.162 9.115 337 HA HIS 64 HA HIS 64 0.536 -19.939 9.454 338 HB2 HIS 64 2HB HIS 64 0.290 -17.998 7.169 339 HB3 HIS 64 1HB HIS 64 0.000 -19.722 6.955 340 HD1 HIS 64 1HD HIS 64 -2.193 -20.665 7.841 341 HD2 HIS 64 2HD HIS 64 -1.631 -16.656 8.772 342 HE1 HIS 64 1HE HIS 64 -4.406 -19.865 8.728 343 HE2 HIS 64 2HE HIS 64 -4.016 -17.460 9.367 344 H PHE 65 H PHE 65 3.370 -18.578 9.315 345 HA PHE 65 HA PHE 65 5.435 -19.034 8.425 346 HB2 PHE 65 2HB PHE 65 4.290 -21.320 9.625 347 HB3 PHE 65 1HB PHE 65 5.143 -21.883 8.185 348 HD1 PHE 65 1HD PHE 65 7.412 -20.037 8.061 349 HD2 PHE 65 2HD PHE 65 5.614 -21.952 11.410 350 HE1 PHE 65 1HE PHE 65 9.547 -19.907 9.277 351 HE2 PHE 65 2HE PHE 65 7.746 -21.823 12.632 352 HZ PHE 65 HZ PHE 65 9.716 -20.800 11.566 353 H LYS 66 H LYS 66 3.387 -18.522 6.415 354 HA LYS 66 HA LYS 66 4.796 -19.649 4.143 355 HB2 LYS 66 2HB LYS 66 1.985 -20.342 4.852 356 HB3 LYS 66 1HB LYS 66 2.373 -20.105 3.154 357 HG2 LYS 66 2HG LYS 66 4.400 -21.745 4.049 358 HG3 LYS 66 1HG LYS 66 2.978 -22.332 4.912 359 HD2 LYS 66 2HD LYS 66 1.775 -22.538 2.790 360 HD3 LYS 66 1HD LYS 66 3.193 -21.942 1.926 361 HE2 LYS 66 2HE LYS 66 4.462 -23.884 2.914 362 HE3 LYS 66 1HE LYS 66 2.911 -24.514 3.464 363 HZ1 LYS 66 3HZ LYS 66 2.171 -24.461 1.119 364 HZ2 LYS 66 1HZ LYS 66 3.458 -25.526 1.390 365 HZ3 LYS 66 2HZ LYS 66 3.739 -24.027 0.656 366 H GLU 67 H GLU 67 3.702 -18.766 2.040 367 HA GLU 67 HA GLU 67 2.641 -16.070 2.464 368 HB2 GLU 67 2HB GLU 67 5.254 -16.263 2.076 369 HB3 GLU 67 1HB GLU 67 4.764 -16.414 0.395 370 HG2 GLU 67 2HG GLU 67 3.306 -14.265 1.188 371 HG3 GLU 67 1HG GLU 67 4.766 -14.080 2.158 372 H PHE 68 H PHE 68 0.979 -15.662 1.167 373 HA PHE 68 HA PHE 68 0.851 -16.865 -1.484 374 HB2 PHE 68 2HB PHE 68 -0.953 -17.547 0.779 375 HB3 PHE 68 1HB PHE 68 -1.699 -17.326 -0.799 376 HD1 PHE 68 2HD PHE 68 -0.641 -18.642 -2.762 377 HD2 PHE 68 1HD PHE 68 -0.043 -19.593 1.343 378 HE1 PHE 68 2HE PHE 68 0.006 -20.931 -3.391 379 HE2 PHE 68 1HE PHE 68 0.605 -21.884 0.722 380 HZ PHE 68 HZ PHE 68 0.630 -22.555 -1.648 381 H ASP 69 H ASP 69 -0.808 -14.826 0.907 382 HA ASP 69 HA ASP 69 -2.287 -13.349 -1.021 383 HB2 ASP 69 2HB ASP 69 -2.423 -13.615 1.689 384 HB3 ASP 69 1HB ASP 69 -1.696 -12.018 1.544 385 H LYS 70 H LYS 70 -1.289 -12.170 -2.525 386 HA LYS 70 HA LYS 70 1.090 -10.621 -1.769 387 HB2 LYS 70 2HB LYS 70 0.233 -12.003 -4.203 388 HB3 LYS 70 1HB LYS 70 0.829 -10.378 -4.506 389 HG2 LYS 70 2HG LYS 70 2.832 -11.092 -3.039 390 HG3 LYS 70 1HG LYS 70 2.271 -12.733 -3.365 391 HD2 LYS 70 2HD LYS 70 2.276 -12.019 -5.836 392 HD3 LYS 70 1HD LYS 70 3.268 -10.663 -5.296 393 HE2 LYS 70 2HE LYS 70 4.860 -12.232 -5.889 394 HE3 LYS 70 1HE LYS 70 4.702 -12.495 -4.153 395 HZ1 LYS 70 3HZ LYS 70 4.542 -14.622 -4.899 396 HZ2 LYS 70 1HZ LYS 70 3.839 -14.190 -6.377 397 HZ3 LYS 70 2HZ LYS 70 2.905 -14.205 -4.967 398 H ILE 71 H ILE 71 1.305 -8.435 -2.616 399 HA ILE 71 HA ILE 71 -1.256 -7.108 -3.169 400 HB ILE 71 HB ILE 71 0.807 -6.028 -1.247 401 HG12 ILE 71 2HG1 ILE 71 -1.951 -6.766 -0.407 402 HG13 ILE 71 1HG1 ILE 71 -0.788 -8.065 -0.632 403 HG21 ILE 71 1HG2 ILE 71 -1.941 -5.014 -1.955 404 HG22 ILE 71 2HG2 ILE 71 -0.416 -4.310 -2.492 405 HG23 ILE 71 3HG2 ILE 71 -0.837 -4.300 -0.780 406 HD11 ILE 71 3HD1 ILE 71 -0.833 -5.887 1.388 407 HD12 ILE 71 1HD1 ILE 71 0.720 -6.557 0.885 408 HD13 ILE 71 2HD1 ILE 71 -0.510 -7.610 1.587 409 H SER 72 H SER 72 -1.161 -5.292 -4.454 410 HA SER 72 HA SER 72 1.454 -4.483 -5.496 411 HB2 SER 72 2HB SER 72 -0.129 -6.198 -6.913 412 HB3 SER 72 1HB SER 72 -0.681 -4.638 -7.524 413 HG SER 72 HG SER 72 1.520 -4.152 -7.990 414 H TYR 73 H TYR 73 1.631 -2.345 -5.319 415 HA TYR 73 HA TYR 73 -0.826 -0.730 -5.504 416 HB2 TYR 73 2HB TYR 73 0.101 0.812 -3.878 417 HB3 TYR 73 1HB TYR 73 0.087 -0.814 -3.208 418 HD1 TYR 73 2HD TYR 73 2.251 -2.111 -3.135 419 HD2 TYR 73 1HD TYR 73 2.100 2.036 -4.066 420 HE1 TYR 73 2HE TYR 73 4.649 -1.916 -2.624 421 HE2 TYR 73 1HE TYR 73 4.498 2.244 -3.558 422 HH TYR 73 HH TYR 73 6.546 -0.393 -3.245 423 H ASP 74 H ASP 74 -0.731 1.239 -6.565 424 HA ASP 74 HA ASP 74 1.749 2.140 -7.748 425 HB2 ASP 74 2HB ASP 74 0.482 0.282 -9.211 426 HB3 ASP 74 1HB ASP 74 -0.393 1.708 -9.759 427 H ILE 75 H ILE 75 1.608 4.234 -8.673 428 HA ILE 75 HA ILE 75 -0.720 5.747 -7.717 429 HB ILE 75 HB ILE 75 0.730 7.745 -7.951 430 HG12 ILE 75 2HG1 ILE 75 3.175 6.089 -8.143 431 HG13 ILE 75 1HG1 ILE 75 2.234 6.237 -9.618 432 HG21 ILE 75 1HG2 ILE 75 1.051 7.345 -5.790 433 HG22 ILE 75 2HG2 ILE 75 2.521 6.469 -6.217 434 HG23 ILE 75 3HG2 ILE 75 0.994 5.602 -6.055 435 HD11 ILE 75 3HD1 ILE 75 3.139 8.218 -9.983 436 HD12 ILE 75 1HD1 ILE 75 4.069 8.071 -8.494 437 HD13 ILE 75 2HD1 ILE 75 2.467 8.812 -8.462 438 H SER 76 H SER 76 -1.644 7.398 -9.035 439 HA SER 76 HA SER 76 -1.063 7.184 -11.905 440 HB2 SER 76 2HB SER 76 -3.669 6.742 -10.516 441 HB3 SER 76 1HB SER 76 -3.684 7.514 -12.101 442 HG SER 76 HG SER 76 -3.557 4.965 -11.627 443 H THR 77 H THR 77 -0.116 9.161 -12.111 444 HA THR 77 HA THR 77 -1.176 11.506 -10.867 445 HB THR 77 HB THR 77 1.244 11.172 -11.410 446 HG1 THR 77 1HG THR 77 0.137 13.472 -12.631 447 HG21 THR 77 3HG2 THR 77 1.908 11.944 -13.730 448 HG22 THR 77 1HG2 THR 77 0.269 11.510 -14.215 449 HG23 THR 77 2HG2 THR 77 1.348 10.282 -13.560 450 HA PRO 78 HA PRO 78 -2.596 12.150 -15.582 451 HB2 PRO 78 2HB PRO 78 -3.901 9.487 -15.776 452 HB3 PRO 78 1HB PRO 78 -3.063 10.419 -17.010 453 HG2 PRO 78 2HG PRO 78 -1.917 8.281 -15.919 454 HG3 PRO 78 1HG PRO 78 -0.966 9.724 -16.299 455 HD2 PRO 78 2HD PRO 78 -1.984 8.778 -13.660 456 HD3 PRO 78 1HD PRO 78 -0.434 9.528 -14.057 457 H ILE 79 H ILE 79 -4.219 10.165 -13.152 458 HA ILE 79 HA ILE 79 -6.655 11.781 -13.519 459 HB ILE 79 HB ILE 79 -7.813 9.908 -12.301 460 HG12 ILE 79 2HG1 ILE 79 -5.315 8.354 -12.961 461 HG13 ILE 79 1HG1 ILE 79 -5.681 8.963 -11.354 462 HG21 ILE 79 1HG2 ILE 79 -8.374 9.762 -14.480 463 HG22 ILE 79 2HG2 ILE 79 -7.365 8.313 -14.422 464 HG23 ILE 79 3HG2 ILE 79 -6.700 9.827 -15.018 465 HD11 ILE 79 3HD1 ILE 79 -6.938 6.754 -12.884 466 HD12 ILE 79 1HD1 ILE 79 -7.921 7.650 -11.727 467 HD13 ILE 79 2HD1 ILE 79 -6.455 6.828 -11.190 468 H ASN 80 H ASN 80 -4.050 11.248 -11.443 469 HA ASN 80 HA ASN 80 -3.518 12.065 -9.393 470 HB2 ASN 80 2HB ASN 80 -5.056 14.000 -10.402 471 HB3 ASN 80 1HB ASN 80 -6.108 13.498 -9.083 472 HD21 ASN 80 1HD2 ASN 80 -5.900 14.973 -7.557 473 HD22 ASN 80 2HD2 ASN 80 -4.410 15.561 -6.911 474 H PHE 81 H PHE 81 -4.693 9.553 -9.562 475 HA PHE 81 HA PHE 81 -5.998 9.406 -6.939 476 HB2 PHE 81 2HB PHE 81 -6.959 8.159 -9.506 477 HB3 PHE 81 1HB PHE 81 -7.393 7.485 -7.939 478 HD1 PHE 81 1HD PHE 81 -8.210 9.428 -6.223 479 HD2 PHE 81 2HD PHE 81 -8.520 9.519 -10.467 480 HE1 PHE 81 1HE PHE 81 -10.065 11.027 -6.049 481 HE2 PHE 81 2HE PHE 81 -10.374 11.117 -10.300 482 HZ PHE 81 HZ PHE 81 -11.153 11.879 -8.090 483 H LEU 82 H LEU 82 -5.748 7.359 -5.864 484 HA LEU 82 HA LEU 82 -3.331 5.944 -6.752 485 HB2 LEU 82 2HB LEU 82 -4.578 6.315 -4.038 486 HB3 LEU 82 1HB LEU 82 -3.317 5.132 -4.335 487 HG LEU 82 HG LEU 82 -2.402 7.179 -3.369 488 HD11 LEU 82 1HD1 LEU 82 -0.526 7.084 -4.606 489 HD12 LEU 82 2HD1 LEU 82 -1.378 7.405 -6.116 490 HD13 LEU 82 3HD1 LEU 82 -1.373 5.778 -5.435 491 HD21 LEU 82 3HD2 LEU 82 -4.267 8.524 -4.749 492 HD22 LEU 82 1HD2 LEU 82 -2.884 8.758 -5.818 493 HD23 LEU 82 2HD2 LEU 82 -2.793 9.272 -4.134 494 H CYS 83 H CYS 83 -3.445 3.884 -7.376 495 HA CYS 83 HA CYS 83 -5.891 2.372 -6.728 496 HB2 CYS 83 2HB CYS 83 -5.492 3.158 -9.176 497 HB3 CYS 83 1HB CYS 83 -4.295 1.869 -9.221 498 HG CYS 83 HG CYS 83 -6.985 1.334 -9.898 499 H ILE 84 H ILE 84 -5.379 0.880 -5.269 500 HA ILE 84 HA ILE 84 -2.756 -0.418 -5.392 501 HB ILE 84 HB ILE 84 -4.840 -0.324 -3.212 502 HG12 ILE 84 2HG1 ILE 84 -3.687 1.454 -2.505 503 HG13 ILE 84 1HG1 ILE 84 -2.290 0.416 -2.264 504 HG21 ILE 84 1HG2 ILE 84 -2.569 -2.175 -3.596 505 HG22 ILE 84 2HG2 ILE 84 -4.098 -2.409 -2.747 506 HG23 ILE 84 3HG2 ILE 84 -2.789 -1.511 -1.977 507 HD11 ILE 84 3HD1 ILE 84 -1.601 2.247 -3.586 508 HD12 ILE 84 1HD1 ILE 84 -2.964 2.046 -4.687 509 HD13 ILE 84 2HD1 ILE 84 -1.681 0.839 -4.646 510 H PHE 85 H PHE 85 -3.006 -1.903 -7.023 511 HA PHE 85 HA PHE 85 -5.265 -3.686 -7.056 512 HB2 PHE 85 2HB PHE 85 -3.645 -2.845 -9.016 513 HB3 PHE 85 1HB PHE 85 -2.794 -4.326 -8.590 514 HD1 PHE 85 1HD PHE 85 -6.390 -3.375 -8.924 515 HD2 PHE 85 2HD PHE 85 -3.256 -6.024 -10.052 516 HE1 PHE 85 1HE PHE 85 -7.980 -4.672 -10.281 517 HE2 PHE 85 2HE PHE 85 -4.841 -7.326 -11.412 518 HZ PHE 85 HZ PHE 85 -7.206 -6.650 -11.528 519 H ILE 86 H ILE 86 -5.126 -4.579 -4.973 520 HA ILE 86 HA ILE 86 -2.810 -6.161 -4.243 521 HB ILE 86 HB ILE 86 -3.948 -4.936 -2.494 522 HG12 ILE 86 2HG1 ILE 86 -2.889 -7.236 -2.092 523 HG13 ILE 86 1HG1 ILE 86 -3.952 -6.605 -0.842 524 HG21 ILE 86 1HG2 ILE 86 -6.187 -5.303 -1.818 525 HG22 ILE 86 2HG2 ILE 86 -6.360 -6.686 -2.897 526 HG23 ILE 86 3HG2 ILE 86 -6.217 -5.061 -3.563 527 HD11 ILE 86 3HD1 ILE 86 -4.322 -8.909 -2.672 528 HD12 ILE 86 1HD1 ILE 86 -5.753 -8.021 -2.149 529 HD13 ILE 86 2HD1 ILE 86 -4.684 -8.753 -0.954 530 HA PRO 87 HA PRO 87 -4.783 -9.687 -6.303 531 HB2 PRO 87 2HB PRO 87 -2.202 -10.981 -6.230 532 HB3 PRO 87 1HB PRO 87 -3.075 -10.349 -7.629 533 HG2 PRO 87 2HG PRO 87 -0.750 -9.269 -6.670 534 HG3 PRO 87 1HG PRO 87 -1.967 -8.353 -7.576 535 HD2 PRO 87 2HD PRO 87 -1.491 -8.468 -4.625 536 HD3 PRO 87 1HD PRO 87 -1.888 -7.075 -5.645 537 H THR 88 H THR 88 -5.979 -10.889 -4.931 538 HA THR 88 HA THR 88 -4.607 -12.747 -3.174 539 HB THR 88 HB THR 88 -4.909 -10.808 -1.730 540 HG1 THR 88 1HG THR 88 -5.342 -13.018 -0.960 541 HG21 THR 88 3HG2 THR 88 -7.870 -11.046 -1.872 542 HG22 THR 88 1HG2 THR 88 -7.021 -10.043 -3.047 543 HG23 THR 88 2HG2 THR 88 -6.868 -9.702 -1.323 544 H LEU 89 H LEU 89 -5.689 -14.626 -2.881 545 HA LEU 89 HA LEU 89 -8.177 -14.943 -4.382 546 HB2 LEU 89 2HB LEU 89 -6.495 -17.108 -3.126 547 HB3 LEU 89 1HB LEU 89 -7.744 -17.301 -4.340 548 HG LEU 89 HG LEU 89 -5.714 -17.567 -5.494 549 HD11 LEU 89 1HD1 LEU 89 -7.405 -15.926 -6.464 550 HD12 LEU 89 2HD1 LEU 89 -5.769 -15.889 -7.124 551 HD13 LEU 89 3HD1 LEU 89 -6.281 -14.660 -5.967 552 HD21 LEU 89 3HD2 LEU 89 -3.752 -16.561 -5.023 553 HD22 LEU 89 1HD2 LEU 89 -4.540 -16.231 -3.479 554 HD23 LEU 89 2HD2 LEU 89 -4.501 -14.992 -4.733 555 H PHE 90 H PHE 90 -6.988 -14.817 -1.160 556 HA PHE 90 HA PHE 90 -7.979 -14.976 0.873 557 HB2 PHE 90 2HB PHE 90 -9.610 -13.431 0.287 558 HB3 PHE 90 1HB PHE 90 -10.339 -14.488 -0.914 559 HD1 PHE 90 1HD PHE 90 -10.077 -13.731 2.671 560 HD2 PHE 90 2HD PHE 90 -12.017 -16.075 -0.303 561 HE1 PHE 90 1HE PHE 90 -11.780 -14.400 4.316 562 HE2 PHE 90 2HE PHE 90 -13.725 -16.749 1.336 563 HZ PHE 90 HZ PHE 90 -13.608 -15.911 3.648 564 H ASP 91 H ASP 91 -7.927 -16.740 2.029 565 HA ASP 91 HA ASP 91 -9.750 -18.747 2.213 566 HB2 ASP 91 2HB ASP 91 -8.123 -19.091 -0.177 567 HB3 ASP 91 1HB ASP 91 -7.986 -20.475 0.910 568 H MET 92 H MET 92 -6.216 -18.497 1.872 569 HA MET 92 HA MET 92 -5.631 -20.319 3.957 570 HB2 MET 92 2HB MET 92 -4.073 -18.305 2.393 571 HB3 MET 92 1HB MET 92 -3.358 -18.973 3.860 572 HG2 MET 92 2HG MET 92 -4.494 -20.999 2.101 573 HG3 MET 92 1HG MET 92 -3.207 -20.059 1.350 574 HE1 MET 92 3HE MET 92 -2.758 -23.511 4.127 575 HE2 MET 92 1HE MET 92 -3.451 -23.389 2.510 576 HE3 MET 92 2HE MET 92 -4.275 -22.646 3.881 577 H ASN 93 H ASN 93 -5.828 -16.782 3.843 578 HA ASN 93 HA ASN 93 -4.918 -16.193 6.394 579 HB2 ASN 93 2HB ASN 93 -6.214 -14.116 6.217 580 HB3 ASN 93 1HB ASN 93 -5.390 -14.477 4.704 581 HD21 ASN 93 1HD2 ASN 93 -6.551 -14.672 2.891 582 HD22 ASN 93 2HD2 ASN 93 -8.276 -14.610 2.812 583 H ASN 94 H ASN 94 -8.027 -17.412 5.350 584 HA ASN 94 HA ASN 94 -9.914 -18.028 6.477 585 HB2 ASN 94 2HB ASN 94 -7.809 -19.444 7.442 586 HB3 ASN 94 1HB ASN 94 -8.425 -18.729 8.929 587 HD21 ASN 94 1HD2 ASN 94 -9.124 -20.679 9.747 588 HD22 ASN 94 2HD2 ASN 94 -10.494 -21.519 9.110 589 H MET 95 H MET 95 -9.061 -15.245 6.835 590 HA MET 95 HA MET 95 -10.794 -14.613 9.053 591 HB2 MET 95 2HB MET 95 -7.853 -14.288 9.207 592 HB3 MET 95 1HB MET 95 -8.813 -12.928 9.772 593 HG2 MET 95 2HG MET 95 -10.090 -14.698 11.147 594 HG3 MET 95 1HG MET 95 -8.686 -15.717 10.835 595 HE1 MET 95 3HE MET 95 -6.647 -15.381 13.376 596 HE2 MET 95 1HE MET 95 -8.092 -16.221 12.812 597 HE3 MET 95 2HE MET 95 -8.164 -15.219 14.262 598 H ASP 96 H ASP 96 -8.232 -12.655 7.581 599 HA ASP 96 HA ASP 96 -9.790 -11.436 5.595 600 HB2 ASP 96 2HB ASP 96 -10.260 -9.260 6.617 601 HB3 ASP 96 1HB ASP 96 -11.075 -10.548 7.497 602 H LEU 97 H LEU 97 -8.781 -8.961 5.351 603 HA LEU 97 HA LEU 97 -6.070 -8.636 6.025 604 HB2 LEU 97 2HB LEU 97 -5.064 -9.018 3.792 605 HB3 LEU 97 1HB LEU 97 -5.622 -10.486 4.571 606 HG LEU 97 HG LEU 97 -7.368 -9.080 2.584 607 HD11 LEU 97 1HD1 LEU 97 -4.829 -10.411 2.053 608 HD12 LEU 97 2HD1 LEU 97 -5.810 -9.379 1.014 609 HD13 LEU 97 3HD1 LEU 97 -6.184 -11.096 1.157 610 HD21 LEU 97 3HD2 LEU 97 -7.228 -11.724 3.907 611 HD22 LEU 97 1HD2 LEU 97 -7.788 -11.688 2.235 612 HD23 LEU 97 2HD2 LEU 97 -8.629 -10.747 3.467 613 H LEU 98 H LEU 98 -8.609 -7.998 3.660 614 HA LEU 98 HA LEU 98 -7.586 -5.566 2.675 615 HB2 LEU 98 2HB LEU 98 -10.437 -6.540 2.865 616 HB3 LEU 98 1HB LEU 98 -9.933 -5.125 1.965 617 HG LEU 98 HG LEU 98 -10.050 -6.663 0.276 618 HD11 LEU 98 1HD1 LEU 98 -7.674 -5.771 0.596 619 HD12 LEU 98 2HD1 LEU 98 -7.898 -7.157 -0.471 620 HD13 LEU 98 3HD1 LEU 98 -7.283 -7.395 1.165 621 HD21 LEU 98 3HD2 LEU 98 -10.005 -8.534 2.396 622 HD22 LEU 98 1HD2 LEU 98 -8.782 -9.028 1.226 623 HD23 LEU 98 2HD2 LEU 98 -10.452 -8.796 0.711 624 H LYS 99 H LYS 99 -9.179 -6.373 5.628 625 HA LYS 99 HA LYS 99 -10.386 -3.991 6.351 626 HB2 LYS 99 2HB LYS 99 -10.359 -6.238 7.582 627 HB3 LYS 99 1HB LYS 99 -8.849 -5.693 8.301 628 HG2 LYS 99 2HG LYS 99 -9.884 -4.313 9.721 629 HG3 LYS 99 1HG LYS 99 -11.016 -3.743 8.493 630 HD2 LYS 99 2HD LYS 99 -12.609 -5.194 9.123 631 HD3 LYS 99 1HD LYS 99 -11.457 -6.518 9.314 632 HE2 LYS 99 2HE LYS 99 -12.509 -5.952 11.442 633 HE3 LYS 99 1HE LYS 99 -10.777 -5.625 11.481 634 HZ1 LYS 99 3HZ LYS 99 -13.021 -3.721 11.410 635 HZ2 LYS 99 1HZ LYS 99 -11.508 -3.256 10.813 636 HZ3 LYS 99 2HZ LYS 99 -11.669 -3.740 12.424 637 H GLN 100 H GLN 100 -7.000 -4.799 6.229 638 HA GLN 100 HA GLN 100 -6.179 -2.501 7.775 639 HB2 GLN 100 2HB GLN 100 -4.952 -4.740 7.635 640 HB3 GLN 100 1HB GLN 100 -4.403 -4.216 6.049 641 HG2 GLN 100 2HG GLN 100 -2.702 -3.750 7.669 642 HG3 GLN 100 1HG GLN 100 -3.382 -2.229 7.092 643 HE21 GLN 100 1HE2 GLN 100 -4.798 -1.070 8.465 644 HE22 GLN 100 2HE2 GLN 100 -4.752 -1.291 10.177 645 H ALA 101 H ALA 101 -6.326 -3.437 4.381 646 HA ALA 101 HA ALA 101 -5.001 -1.090 3.422 647 HB1 ALA 101 1HB ALA 101 -4.786 -2.629 1.797 648 HB2 ALA 101 2HB ALA 101 -6.349 -2.014 1.259 649 HB3 ALA 101 3HB ALA 101 -6.269 -3.469 2.254 650 H LEU 102 H LEU 102 -8.366 -2.081 3.827 651 HA LEU 102 HA LEU 102 -9.442 0.243 2.554 652 HB2 LEU 102 2HB LEU 102 -11.585 -0.555 3.256 653 HB3 LEU 102 1HB LEU 102 -10.639 -1.921 2.695 654 HG LEU 102 HG LEU 102 -10.079 -2.221 5.236 655 HD11 LEU 102 1HD1 LEU 102 -12.332 -0.293 5.231 656 HD12 LEU 102 2HD1 LEU 102 -11.001 -0.480 6.372 657 HD13 LEU 102 3HD1 LEU 102 -12.365 -1.595 6.419 658 HD21 LEU 102 3HD2 LEU 102 -11.178 -4.013 4.376 659 HD22 LEU 102 1HD2 LEU 102 -12.448 -3.027 3.651 660 HD23 LEU 102 2HD2 LEU 102 -12.477 -3.367 5.380 661 H LEU 103 H LEU 103 -8.426 -0.562 5.774 662 HA LEU 103 HA LEU 103 -9.843 1.568 7.068 663 HB2 LEU 103 2HB LEU 103 -7.788 -0.432 7.866 664 HB3 LEU 103 1HB LEU 103 -7.978 0.995 8.867 665 HG LEU 103 HG LEU 103 -10.241 -0.876 8.176 666 HD11 LEU 103 1HD1 LEU 103 -9.947 -1.977 10.209 667 HD12 LEU 103 2HD1 LEU 103 -8.852 -0.741 10.828 668 HD13 LEU 103 3HD1 LEU 103 -8.312 -1.843 9.561 669 HD21 LEU 103 3HD2 LEU 103 -10.281 0.874 10.553 670 HD22 LEU 103 1HD2 LEU 103 -11.583 0.420 9.453 671 HD23 LEU 103 2HD2 LEU 103 -10.431 1.674 8.988 672 H ILE 104 H ILE 104 -6.475 1.049 6.063 673 HA ILE 104 HA ILE 104 -5.479 3.503 7.006 674 HB ILE 104 HB ILE 104 -3.607 3.149 5.400 675 HG12 ILE 104 2HG1 ILE 104 -3.820 0.626 4.472 676 HG13 ILE 104 1HG1 ILE 104 -5.509 1.113 4.388 677 HG21 ILE 104 1HG2 ILE 104 -3.473 2.214 7.611 678 HG22 ILE 104 2HG2 ILE 104 -2.805 1.058 6.459 679 HG23 ILE 104 3HG2 ILE 104 -4.422 0.811 7.117 680 HD11 ILE 104 3HD1 ILE 104 -3.843 3.176 3.307 681 HD12 ILE 104 1HD1 ILE 104 -5.130 2.251 2.532 682 HD13 ILE 104 2HD1 ILE 104 -3.479 1.630 2.540 683 H LEU 105 H LEU 105 -6.673 2.576 3.775 684 HA LEU 105 HA LEU 105 -6.167 5.070 2.568 685 HB2 LEU 105 2HB LEU 105 -7.512 4.333 0.752 686 HB3 LEU 105 1HB LEU 105 -6.627 2.942 1.350 687 HG LEU 105 HG LEU 105 -8.801 2.449 2.698 688 HD11 LEU 105 1HD1 LEU 105 -9.579 4.762 1.210 689 HD12 LEU 105 2HD1 LEU 105 -10.505 3.834 2.389 690 HD13 LEU 105 3HD1 LEU 105 -10.540 3.380 0.685 691 HD21 LEU 105 3HD2 LEU 105 -8.651 2.091 -0.293 692 HD22 LEU 105 1HD2 LEU 105 -9.679 1.167 0.804 693 HD23 LEU 105 2HD2 LEU 105 -7.924 1.037 0.921 694 H HIS 106 H HIS 106 -9.014 3.790 4.236 695 HA HIS 106 HA HIS 106 -10.693 6.009 3.695 696 HB2 HIS 106 2HB HIS 106 -10.782 3.629 5.439 697 HB3 HIS 106 1HB HIS 106 -11.713 5.009 6.010 698 HD1 HIS 106 1HD HIS 106 -11.867 2.196 3.717 699 HD2 HIS 106 2HD HIS 106 -13.676 5.914 4.037 700 HE1 HIS 106 1HE HIS 106 -13.898 2.082 2.239 701 HE2 HIS 106 2HE HIS 106 -15.025 4.315 2.516 702 H ASN 107 H ASN 107 -8.521 5.205 6.362 703 HA ASN 107 HA ASN 107 -9.191 7.287 8.097 704 HB2 ASN 107 2HB ASN 107 -7.101 5.317 7.867 705 HB3 ASN 107 1HB ASN 107 -6.413 6.863 8.355 706 HD21 ASN 107 1HD2 ASN 107 -6.429 7.299 10.435 707 HD22 ASN 107 2HD2 ASN 107 -7.447 6.564 11.621 708 H ASP 108 H ASP 108 -7.220 7.245 5.219 709 HA ASP 108 HA ASP 108 -6.021 9.810 5.679 710 HB2 ASP 108 2HB ASP 108 -6.254 8.346 3.046 711 HB3 ASP 108 1HB ASP 108 -5.074 9.578 3.487 712 H LEU 109 H LEU 109 -8.793 8.581 3.899 713 HA LEU 109 HA LEU 109 -9.396 11.103 2.657 714 HB2 LEU 109 2HB LEU 109 -10.627 8.407 2.772 715 HB3 LEU 109 1HB LEU 109 -11.708 9.753 2.432 716 HG LEU 109 HG LEU 109 -9.755 10.291 0.657 717 HD11 LEU 109 1HD1 LEU 109 -8.558 8.206 1.422 718 HD12 LEU 109 2HD1 LEU 109 -8.835 8.354 -0.313 719 HD13 LEU 109 3HD1 LEU 109 -9.852 7.288 0.656 720 HD21 LEU 109 3HD2 LEU 109 -11.272 9.676 -0.959 721 HD22 LEU 109 1HD2 LEU 109 -12.315 9.794 0.459 722 HD23 LEU 109 2HD2 LEU 109 -11.760 8.216 -0.098 723 H HIS 110 H HIS 110 -10.392 9.406 5.559 724 HA HIS 110 HA HIS 110 -12.607 11.043 6.187 725 HB2 HIS 110 2HB HIS 110 -11.466 8.743 7.239 726 HB3 HIS 110 1HB HIS 110 -11.259 9.939 8.515 727 HD1 HIS 110 1HD HIS 110 -13.703 7.666 7.081 728 HD2 HIS 110 2HD HIS 110 -13.797 11.169 9.311 729 HE1 HIS 110 1HE HIS 110 -16.023 7.790 8.034 730 HE2 HIS 110 2HE HIS 110 -16.031 9.875 9.448 731 H GLU 111 H GLU 111 -9.277 11.659 6.272 732 HA GLU 111 HA GLU 111 -8.958 13.284 8.506 733 HB2 GLU 111 2HB GLU 111 -7.687 13.582 5.777 734 HB3 GLU 111 1HB GLU 111 -7.119 14.354 7.246 735 HG2 GLU 111 2HG GLU 111 -7.254 11.392 6.757 736 HG3 GLU 111 1HG GLU 111 -5.803 12.391 6.691 737 H TYR 112 H TYR 112 -10.520 13.939 5.453 738 HA TYR 112 HA TYR 112 -11.921 16.164 6.459 739 HB2 TYR 112 2HB TYR 112 -9.301 16.767 5.530 740 HB3 TYR 112 1HB TYR 112 -10.447 17.424 4.355 741 HD1 TYR 112 2HD TYR 112 -12.494 18.718 5.467 742 HD2 TYR 112 1HD TYR 112 -8.710 18.105 7.308 743 HE1 TYR 112 2HE TYR 112 -12.906 20.649 6.938 744 HE2 TYR 112 1HE TYR 112 -9.103 20.029 8.787 745 HH TYR 112 HH TYR 112 -11.214 22.344 8.264 746 H VAL 113 H VAL 113 -10.468 15.561 3.269 747 HA VAL 113 HA VAL 113 -11.428 15.431 1.197 748 HB VAL 113 HB VAL 113 -11.653 13.123 2.066 749 HG11 VAL 113 1HG1 VAL 113 -14.393 14.079 2.882 750 HG12 VAL 113 2HG1 VAL 113 -13.125 13.398 3.912 751 HG13 VAL 113 3HG1 VAL 113 -13.952 12.375 2.737 752 HG21 VAL 113 3HG2 VAL 113 -13.974 12.883 0.545 753 HG22 VAL 113 1HG2 VAL 113 -12.310 12.805 -0.035 754 HG23 VAL 113 2HG2 VAL 113 -13.179 14.333 -0.063 755 H GLU 114 H GLU 114 -12.422 17.620 2.696 756 HA GLU 114 HA GLU 114 -15.150 17.814 1.600 757 HB2 GLU 114 2HB GLU 114 -14.081 18.769 4.239 758 HB3 GLU 114 1HB GLU 114 -15.492 19.515 3.509 759 HG2 GLU 114 2HG GLU 114 -15.718 16.642 3.535 760 HG3 GLU 114 1HG GLU 114 -15.440 17.282 5.150 Start of MODEL 8 1 H THR 26 H THR 26 -10.252 -17.293 -9.700 2 HA THR 26 HA THR 26 -8.309 -17.200 -7.490 3 HB THR 26 HB THR 26 -6.980 -17.115 -9.461 4 HG1 THR 26 1HG THR 26 -6.326 -15.544 -8.042 5 HG21 THR 26 3HG2 THR 26 -7.321 -15.646 -11.312 6 HG22 THR 26 1HG2 THR 26 -8.722 -14.912 -10.530 7 HG23 THR 26 2HG2 THR 26 -8.789 -16.591 -11.065 8 H SER 27 H SER 27 -8.027 -15.050 -6.545 9 HA SER 27 HA SER 27 -10.511 -13.478 -6.724 10 HB2 SER 27 2HB SER 27 -8.821 -14.328 -4.443 11 HB3 SER 27 1HB SER 27 -9.466 -12.688 -4.361 12 H LYS 28 H LYS 28 -10.410 -11.246 -6.827 13 HA LYS 28 HA LYS 28 -7.789 -9.974 -6.931 14 HB2 LYS 28 2HB LYS 28 -8.346 -8.850 -9.076 15 HB3 LYS 28 1HB LYS 28 -8.141 -10.589 -9.237 16 HG2 LYS 28 2HG LYS 28 -10.484 -10.935 -9.411 17 HG3 LYS 28 1HG LYS 28 -10.824 -9.264 -8.954 18 HD2 LYS 28 2HD LYS 28 -9.562 -8.568 -11.023 19 HD3 LYS 28 1HD LYS 28 -9.564 -10.266 -11.499 20 HE2 LYS 28 2HE LYS 28 -12.150 -10.031 -11.013 21 HE3 LYS 28 1HE LYS 28 -11.812 -8.333 -11.346 22 HZ1 LYS 28 3HZ LYS 28 -12.483 -9.857 -13.280 23 HZ2 LYS 28 1HZ LYS 28 -10.890 -10.431 -13.201 24 HZ3 LYS 28 2HZ LYS 28 -11.191 -8.791 -13.513 25 H GLN 29 H GLN 29 -7.814 -8.053 -5.953 26 HA GLN 29 HA GLN 29 -10.354 -6.593 -5.774 27 HB2 GLN 29 2HB GLN 29 -8.452 -6.978 -3.454 28 HB3 GLN 29 1HB GLN 29 -9.977 -6.090 -3.428 29 HG2 GLN 29 2HG GLN 29 -11.248 -8.038 -3.564 30 HG3 GLN 29 1HG GLN 29 -9.885 -9.000 -4.132 31 HE21 GLN 29 1HE2 GLN 29 -8.159 -9.421 -2.608 32 HE22 GLN 29 2HE2 GLN 29 -8.527 -9.547 -0.924 33 H GLU 30 H GLU 30 -10.211 -4.387 -5.774 34 HA GLU 30 HA GLU 30 -7.519 -3.239 -5.994 35 HB2 GLU 30 2HB GLU 30 -8.086 -2.004 -7.935 36 HB3 GLU 30 1HB GLU 30 -8.621 -3.650 -8.233 37 HG2 GLU 30 2HG GLU 30 -10.896 -2.733 -7.292 38 HG3 GLU 30 1HG GLU 30 -10.222 -1.184 -7.811 39 H LEU 31 H LEU 31 -7.289 -1.840 -4.401 40 HA LEU 31 HA LEU 31 -9.591 -0.493 -3.257 41 HB2 LEU 31 2HB LEU 31 -6.714 -0.170 -2.425 42 HB3 LEU 31 1HB LEU 31 -8.152 0.150 -1.475 43 HG LEU 31 HG LEU 31 -7.919 -2.630 -2.377 44 HD11 LEU 31 1HD1 LEU 31 -6.257 -2.873 -0.306 45 HD12 LEU 31 2HD1 LEU 31 -5.717 -1.307 -0.911 46 HD13 LEU 31 3HD1 LEU 31 -5.693 -2.716 -1.970 47 HD21 LEU 31 3HD2 LEU 31 -8.667 -3.087 -0.156 48 HD22 LEU 31 1HD2 LEU 31 -9.596 -1.718 -0.768 49 HD23 LEU 31 2HD2 LEU 31 -8.278 -1.449 0.371 50 H ILE 32 H ILE 32 -10.224 1.462 -3.859 51 HA ILE 32 HA ILE 32 -8.513 3.058 -5.595 52 HB ILE 32 HB ILE 32 -11.339 3.668 -4.732 53 HG12 ILE 32 2HG1 ILE 32 -11.516 2.796 -7.321 54 HG13 ILE 32 1HG1 ILE 32 -10.277 1.726 -6.673 55 HG21 ILE 32 1HG2 ILE 32 -9.396 4.897 -6.566 56 HG22 ILE 32 2HG2 ILE 32 -10.746 5.617 -5.687 57 HG23 ILE 32 3HG2 ILE 32 -11.040 4.737 -7.186 58 HD11 ILE 32 3HD1 ILE 32 -12.446 1.915 -4.819 59 HD12 ILE 32 1HD1 ILE 32 -11.809 0.499 -5.658 60 HD13 ILE 32 2HD1 ILE 32 -13.051 1.491 -6.421 61 H LEU 33 H LEU 33 -7.028 4.193 -4.478 62 HA LEU 33 HA LEU 33 -7.814 5.537 -2.010 63 HB2 LEU 33 2HB LEU 33 -5.202 4.860 -3.292 64 HB3 LEU 33 1HB LEU 33 -5.272 6.160 -2.119 65 HG LEU 33 HG LEU 33 -6.621 3.996 -0.934 66 HD11 LEU 33 1HD1 LEU 33 -5.505 2.083 -1.324 67 HD12 LEU 33 2HD1 LEU 33 -3.965 2.903 -1.582 68 HD13 LEU 33 3HD1 LEU 33 -5.163 2.849 -2.875 69 HD21 LEU 33 3HD2 LEU 33 -5.414 5.459 0.421 70 HD22 LEU 33 1HD2 LEU 33 -3.951 5.300 -0.551 71 HD23 LEU 33 2HD2 LEU 33 -4.477 3.968 0.483 72 H VAL 34 H VAL 34 -7.435 7.775 -1.675 73 HA VAL 34 HA VAL 34 -7.400 9.993 -2.210 74 HB VAL 34 HB VAL 34 -6.414 9.224 -4.952 75 HG11 VAL 34 1HG1 VAL 34 -5.218 11.533 -4.456 76 HG12 VAL 34 2HG1 VAL 34 -6.612 11.739 -3.399 77 HG13 VAL 34 3HG1 VAL 34 -6.851 11.456 -5.117 78 HG21 VAL 34 3HG2 VAL 34 -4.135 9.577 -4.033 79 HG22 VAL 34 1HG2 VAL 34 -4.949 8.158 -3.377 80 HG23 VAL 34 2HG2 VAL 34 -4.842 9.643 -2.417 81 H LEU 35 H LEU 35 -9.074 11.241 -2.673 82 HA LEU 35 HA LEU 35 -11.011 10.269 -4.669 83 HB2 LEU 35 2HB LEU 35 -11.372 10.804 -1.995 84 HB3 LEU 35 1HB LEU 35 -11.925 12.284 -2.751 85 HG LEU 35 HG LEU 35 -13.272 10.563 -4.274 86 HD11 LEU 35 1HD1 LEU 35 -14.058 8.673 -2.990 87 HD12 LEU 35 2HD1 LEU 35 -13.036 9.128 -1.627 88 HD13 LEU 35 3HD1 LEU 35 -12.301 8.595 -3.140 89 HD21 LEU 35 3HD2 LEU 35 -13.956 12.415 -2.508 90 HD22 LEU 35 1HD2 LEU 35 -14.434 11.000 -1.577 91 HD23 LEU 35 2HD2 LEU 35 -15.133 11.275 -3.169 92 H LYS 36 H LYS 36 -10.313 13.411 -3.121 93 HA LYS 36 HA LYS 36 -9.722 14.611 -5.689 94 HB2 LYS 36 2HB LYS 36 -12.332 14.869 -4.402 95 HB3 LYS 36 1HB LYS 36 -11.577 16.426 -4.720 96 HG2 LYS 36 2HG LYS 36 -11.304 15.801 -7.080 97 HG3 LYS 36 1HG LYS 36 -12.098 14.263 -6.749 98 HD2 LYS 36 2HD LYS 36 -14.144 15.185 -6.764 99 HD3 LYS 36 1HD LYS 36 -13.611 16.587 -5.828 100 HE2 LYS 36 2HE LYS 36 -12.886 16.262 -8.722 101 HE3 LYS 36 1HE LYS 36 -14.434 16.969 -8.239 102 HZ1 LYS 36 3HZ LYS 36 -13.243 18.659 -7.003 103 HZ2 LYS 36 1HZ LYS 36 -12.752 18.668 -8.624 104 HZ3 LYS 36 2HZ LYS 36 -11.759 17.982 -7.440 105 H GLY 37 H GLY 37 -7.721 15.157 -4.865 106 HA2 GLY 37 2HA GLY 37 -7.721 16.998 -2.550 107 HA3 GLY 37 1HA GLY 37 -6.355 15.999 -3.040 108 H GLU 38 H GLU 38 -6.009 18.681 -2.587 109 HA GLU 38 HA GLU 38 -4.778 19.531 -4.961 110 HB2 GLU 38 2HB GLU 38 -7.431 19.956 -5.192 111 HB3 GLU 38 1HB GLU 38 -6.968 21.456 -4.400 112 HG2 GLU 38 2HG GLU 38 -5.078 21.211 -6.369 113 HG3 GLU 38 1HG GLU 38 -6.534 20.567 -7.137 114 H LEU 39 H LEU 39 -4.164 21.968 -4.773 115 HA LEU 39 HA LEU 39 -3.154 23.647 -3.607 116 HB2 LEU 39 2HB LEU 39 -4.557 22.662 -1.134 117 HB3 LEU 39 1HB LEU 39 -3.950 24.275 -1.455 118 HG LEU 39 HG LEU 39 -6.032 23.264 -3.300 119 HD11 LEU 39 1HD1 LEU 39 -7.821 23.410 -1.861 120 HD12 LEU 39 2HD1 LEU 39 -6.931 24.358 -0.674 121 HD13 LEU 39 3HD1 LEU 39 -6.616 22.639 -0.841 122 HD21 LEU 39 3HD2 LEU 39 -5.438 25.889 -1.942 123 HD22 LEU 39 1HD2 LEU 39 -6.811 25.620 -3.025 124 HD23 LEU 39 2HD2 LEU 39 -5.164 25.467 -3.638 125 H ASP 40 H ASP 40 -3.417 21.026 -1.200 126 HA ASP 40 HA ASP 40 -0.536 21.249 -0.729 127 HB2 ASP 40 2HB ASP 40 -2.859 20.329 0.859 128 HB3 ASP 40 1HB ASP 40 -1.353 19.449 1.114 129 H LEU 41 H LEU 41 -2.947 18.646 -1.125 130 HA LEU 41 HA LEU 41 -2.802 16.573 -2.038 131 HB2 LEU 41 2HB LEU 41 -1.077 18.269 -3.672 132 HB3 LEU 41 1HB LEU 41 -0.596 16.585 -3.712 133 HG LEU 41 HG LEU 41 -3.477 17.153 -4.134 134 HD11 LEU 41 1HD1 LEU 41 -1.307 17.939 -6.039 135 HD12 LEU 41 2HD1 LEU 41 -2.733 18.850 -5.551 136 HD13 LEU 41 3HD1 LEU 41 -2.895 17.446 -6.614 137 HD21 LEU 41 3HD2 LEU 41 -1.456 15.127 -4.889 138 HD22 LEU 41 1HD2 LEU 41 -2.786 15.409 -6.014 139 HD23 LEU 41 2HD2 LEU 41 -3.124 14.922 -4.352 140 H HIS 42 H HIS 42 -0.943 14.797 -2.627 141 HA HIS 42 HA HIS 42 1.387 14.776 -1.079 142 HB2 HIS 42 2HB HIS 42 0.628 13.079 0.647 143 HB3 HIS 42 1HB HIS 42 0.067 14.730 0.892 144 HD1 HIS 42 1HD HIS 42 -2.466 15.194 0.489 145 HD2 HIS 42 2HD HIS 42 -1.360 11.206 0.149 146 HE1 HIS 42 1HE HIS 42 -4.618 13.893 0.522 147 HE2 HIS 42 2HE HIS 42 -3.929 11.492 0.230 148 H SER 43 H SER 43 2.675 13.265 -1.912 149 HA SER 43 HA SER 43 1.415 11.088 -3.446 150 HB2 SER 43 2HB SER 43 3.951 12.641 -3.780 151 HB3 SER 43 1HB SER 43 3.884 10.984 -4.388 152 HG SER 43 HG SER 43 2.240 11.550 -5.746 153 H LYS 44 H LYS 44 1.995 11.162 -0.515 154 HA LYS 44 HA LYS 44 4.116 9.221 -0.187 155 HB2 LYS 44 2HB LYS 44 3.143 11.204 1.430 156 HB3 LYS 44 1HB LYS 44 2.374 9.791 2.119 157 HG2 LYS 44 2HG LYS 44 4.300 8.957 2.927 158 HG3 LYS 44 1HG LYS 44 5.254 9.539 1.557 159 HD2 LYS 44 2HD LYS 44 4.717 11.888 2.613 160 HD3 LYS 44 1HD LYS 44 4.476 10.938 4.071 161 HE2 LYS 44 2HE LYS 44 6.934 10.482 2.456 162 HE3 LYS 44 1HE LYS 44 6.830 11.926 3.466 163 HZ1 LYS 44 3HZ LYS 44 6.401 10.525 5.382 164 HZ2 LYS 44 1HZ LYS 44 7.865 10.093 4.643 165 HZ3 LYS 44 2HZ LYS 44 6.488 9.138 4.412 166 H ASN 45 H ASN 45 0.956 9.024 -1.126 167 HA ASN 45 HA ASN 45 -0.210 7.017 0.369 168 HB2 ASN 45 2HB ASN 45 -0.434 7.919 -2.461 169 HB3 ASN 45 1HB ASN 45 -1.134 6.360 -2.060 170 HD21 ASN 45 1HD2 ASN 45 -2.219 6.617 0.318 171 HD22 ASN 45 2HD2 ASN 45 -3.414 7.869 0.350 172 H MET 46 H MET 46 2.261 6.772 -2.113 173 HA MET 46 HA MET 46 2.158 3.964 -2.431 174 HB2 MET 46 2HB MET 46 4.547 4.283 -3.286 175 HB3 MET 46 1HB MET 46 3.278 5.159 -4.128 176 HG2 MET 46 2HG MET 46 3.971 7.197 -3.345 177 HG3 MET 46 1HG MET 46 4.728 6.503 -1.908 178 HE1 MET 46 3HE MET 46 6.484 6.480 -6.162 179 HE2 MET 46 1HE MET 46 5.366 7.729 -5.621 180 HE3 MET 46 2HE MET 46 4.828 6.057 -5.738 181 H LYS 47 H LYS 47 3.853 6.060 -0.190 182 HA LYS 47 HA LYS 47 5.498 4.002 0.915 183 HB2 LYS 47 2HB LYS 47 6.053 6.433 1.017 184 HB3 LYS 47 1HB LYS 47 4.719 6.649 2.140 185 HG2 LYS 47 2HG LYS 47 6.200 6.303 3.756 186 HG3 LYS 47 1HG LYS 47 6.178 4.611 3.284 187 HD2 LYS 47 2HD LYS 47 8.205 4.717 2.304 188 HD3 LYS 47 1HD LYS 47 7.931 6.342 1.676 189 HE2 LYS 47 2HE LYS 47 9.622 6.659 3.238 190 HE3 LYS 47 1HE LYS 47 8.158 7.081 4.138 191 HZ1 LYS 47 3HZ LYS 47 8.323 5.253 5.445 192 HZ2 LYS 47 1HZ LYS 47 9.975 5.450 5.104 193 HZ3 LYS 47 2HZ LYS 47 9.052 4.303 4.255 194 H ASN 48 H ASN 48 2.263 5.111 1.430 195 HA ASN 48 HA ASN 48 1.942 4.039 4.057 196 HB2 ASN 48 2HB ASN 48 0.298 5.440 2.102 197 HB3 ASN 48 1HB ASN 48 -0.595 4.180 2.948 198 HD21 ASN 48 1HD2 ASN 48 1.609 6.877 3.540 199 HD22 ASN 48 2HD2 ASN 48 0.877 7.378 5.025 200 H VAL 49 H VAL 49 1.345 2.857 0.791 201 HA VAL 49 HA VAL 49 0.026 0.467 1.651 202 HB VAL 49 HB VAL 49 1.359 0.840 -1.019 203 HG11 VAL 49 1HG1 VAL 49 -1.224 -0.567 -0.604 204 HG12 VAL 49 2HG1 VAL 49 0.248 -1.362 -0.049 205 HG13 VAL 49 3HG1 VAL 49 0.080 -0.904 -1.742 206 HG21 VAL 49 3HG2 VAL 49 -0.456 2.629 -0.028 207 HG22 VAL 49 1HG2 VAL 49 -1.495 1.474 -0.860 208 HG23 VAL 49 2HG2 VAL 49 -0.199 2.286 -1.737 209 H ILE 50 H ILE 50 3.305 1.236 0.524 210 HA ILE 50 HA ILE 50 4.322 -1.370 0.573 211 HB ILE 50 HB ILE 50 5.522 0.520 -0.457 212 HG12 ILE 50 2HG1 ILE 50 7.176 -0.739 1.738 213 HG13 ILE 50 1HG1 ILE 50 6.696 -1.582 0.268 214 HG21 ILE 50 1HG2 ILE 50 4.992 2.145 1.363 215 HG22 ILE 50 2HG2 ILE 50 6.666 2.170 0.826 216 HG23 ILE 50 3HG2 ILE 50 6.235 1.371 2.339 217 HD11 ILE 50 3HD1 ILE 50 8.324 0.943 0.313 218 HD12 ILE 50 1HD1 ILE 50 7.957 -0.068 -1.084 219 HD13 ILE 50 2HD1 ILE 50 8.989 -0.691 0.197 220 H ASN 51 H ASN 51 3.713 0.919 3.121 221 HA ASN 51 HA ASN 51 5.270 -0.458 5.107 222 HB2 ASN 51 2HB ASN 51 3.711 1.990 4.945 223 HB3 ASN 51 1HB ASN 51 3.407 1.126 6.450 224 HD21 ASN 51 1HD2 ASN 51 6.371 1.254 4.545 225 HD22 ASN 51 2HD2 ASN 51 7.332 1.999 5.771 226 H ASN 52 H ASN 52 1.772 -0.053 4.524 227 HA ASN 52 HA ASN 52 0.977 -1.890 6.529 228 HB2 ASN 52 2HB ASN 52 -0.473 -0.811 4.106 229 HB3 ASN 52 1HB ASN 52 -1.237 -1.839 5.316 230 HD21 ASN 52 1HD2 ASN 52 -1.316 -1.045 7.504 231 HD22 ASN 52 2HD2 ASN 52 -1.384 0.661 7.794 232 H ALA 53 H ALA 53 1.754 -2.199 3.129 233 HA ALA 53 HA ALA 53 0.783 -4.841 2.800 234 HB1 ALA 53 1HB ALA 53 1.863 -4.811 0.686 235 HB2 ALA 53 2HB ALA 53 2.968 -3.534 1.193 236 HB3 ALA 53 3HB ALA 53 1.255 -3.179 0.962 237 H LYS 54 H LYS 54 3.722 -3.483 4.062 238 HA LYS 54 HA LYS 54 5.283 -5.879 3.838 239 HB2 LYS 54 2HB LYS 54 5.734 -3.171 4.578 240 HB3 LYS 54 1HB LYS 54 6.252 -4.171 5.927 241 HG2 LYS 54 2HG LYS 54 8.120 -3.819 4.515 242 HG3 LYS 54 1HG LYS 54 7.623 -5.498 4.326 243 HD2 LYS 54 2HD LYS 54 6.180 -4.399 2.361 244 HD3 LYS 54 1HD LYS 54 7.523 -3.252 2.397 245 HE2 LYS 54 2HE LYS 54 8.976 -5.423 2.416 246 HE3 LYS 54 1HE LYS 54 7.532 -6.162 1.748 247 HZ1 LYS 54 3HZ LYS 54 7.640 -4.147 0.136 248 HZ2 LYS 54 1HZ LYS 54 8.619 -5.502 -0.134 249 HZ3 LYS 54 2HZ LYS 54 9.270 -4.120 0.573 250 H LYS 55 H LYS 55 3.640 -4.229 6.530 251 HA LYS 55 HA LYS 55 4.263 -6.056 8.539 252 HB2 LYS 55 2HB LYS 55 2.459 -3.830 8.192 253 HB3 LYS 55 1HB LYS 55 1.663 -5.121 9.084 254 HG2 LYS 55 2HG LYS 55 4.382 -4.564 9.998 255 HG3 LYS 55 1HG LYS 55 3.278 -3.198 10.156 256 HD2 LYS 55 2HD LYS 55 1.679 -4.692 11.330 257 HD3 LYS 55 1HD LYS 55 2.882 -5.980 11.256 258 HE2 LYS 55 2HE LYS 55 4.385 -4.057 12.350 259 HE3 LYS 55 1HE LYS 55 2.805 -3.540 12.935 260 HZ1 LYS 55 3HZ LYS 55 3.542 -6.365 13.219 261 HZ2 LYS 55 1HZ LYS 55 2.562 -5.399 14.209 262 HZ3 LYS 55 2HZ LYS 55 4.243 -5.243 14.272 263 H ASN 56 H ASN 56 1.593 -6.041 6.223 264 HA ASN 56 HA ASN 56 0.201 -8.243 7.292 265 HB2 ASN 56 2HB ASN 56 0.297 -7.172 4.462 266 HB3 ASN 56 1HB ASN 56 -0.859 -8.376 5.040 267 HD21 ASN 56 1HD2 ASN 56 -1.079 -5.545 4.020 268 HD22 ASN 56 2HD2 ASN 56 -2.050 -4.743 5.202 269 H LEU 57 H LEU 57 2.578 -8.028 4.652 270 HA LEU 57 HA LEU 57 2.645 -10.660 3.846 271 HB2 LEU 57 2HB LEU 57 4.833 -8.602 4.040 272 HB3 LEU 57 1HB LEU 57 5.109 -10.194 3.345 273 HG LEU 57 HG LEU 57 2.915 -8.438 2.295 274 HD11 LEU 57 1HD1 LEU 57 5.770 -7.947 2.136 275 HD12 LEU 57 2HD1 LEU 57 4.419 -6.912 1.683 276 HD13 LEU 57 3HD1 LEU 57 5.017 -8.121 0.550 277 HD21 LEU 57 3HD2 LEU 57 2.890 -10.727 1.559 278 HD22 LEU 57 1HD2 LEU 57 4.601 -10.653 1.136 279 HD23 LEU 57 2HD2 LEU 57 3.425 -9.707 0.223 280 H GLU 58 H GLU 58 4.912 -9.207 6.180 281 HA GLU 58 HA GLU 58 6.067 -11.596 7.034 282 HB2 GLU 58 2HB GLU 58 5.817 -8.865 8.230 283 HB3 GLU 58 1HB GLU 58 6.471 -10.177 9.203 284 HG2 GLU 58 2HG GLU 58 8.398 -10.270 8.037 285 HG3 GLU 58 1HG GLU 58 7.620 -9.859 6.508 286 H LYS 59 H LYS 59 3.056 -10.092 7.916 287 HA LYS 59 HA LYS 59 2.557 -11.347 10.360 288 HB2 LYS 59 2HB LYS 59 1.206 -9.515 9.137 289 HB3 LYS 59 1HB LYS 59 0.395 -10.844 8.331 290 HG2 LYS 59 2HG LYS 59 -0.438 -11.689 10.400 291 HG3 LYS 59 1HG LYS 59 0.543 -10.551 11.316 292 HD2 LYS 59 2HD LYS 59 -0.790 -8.791 9.856 293 HD3 LYS 59 1HD LYS 59 -1.964 -10.099 9.784 294 HE2 LYS 59 2HE LYS 59 -1.737 -10.225 12.318 295 HE3 LYS 59 1HE LYS 59 -0.915 -8.666 12.207 296 HZ1 LYS 59 3HZ LYS 59 -3.195 -8.253 12.640 297 HZ2 LYS 59 1HZ LYS 59 -3.702 -9.295 11.400 298 HZ3 LYS 59 2HZ LYS 59 -2.926 -7.837 11.023 299 H TYR 60 H TYR 60 2.154 -12.482 7.056 300 HA TYR 60 HA TYR 60 0.843 -14.922 7.847 301 HB2 TYR 60 2HB TYR 60 2.164 -14.511 5.179 302 HB3 TYR 60 1HB TYR 60 0.723 -15.452 5.568 303 HD1 TYR 60 2HD TYR 60 -1.324 -14.052 6.436 304 HD2 TYR 60 1HD TYR 60 1.918 -12.429 4.211 305 HE1 TYR 60 2HE TYR 60 -2.742 -12.159 5.763 306 HE2 TYR 60 1HE TYR 60 0.509 -10.532 3.530 307 HH TYR 60 HH TYR 60 -1.821 -9.955 3.306 308 H PHE 61 H PHE 61 4.089 -13.906 6.963 309 HA PHE 61 HA PHE 61 5.218 -16.514 6.884 310 HB2 PHE 61 2HB PHE 61 6.123 -14.274 5.908 311 HB3 PHE 61 1HB PHE 61 6.816 -14.049 7.517 312 HD1 PHE 61 2HD PHE 61 8.219 -16.053 8.422 313 HD2 PHE 61 1HD PHE 61 7.328 -15.403 4.315 314 HE1 PHE 61 2HE PHE 61 10.143 -17.449 7.791 315 HE2 PHE 61 1HE PHE 61 9.252 -16.798 3.675 316 HZ PHE 61 HZ PHE 61 10.666 -17.822 5.413 317 H LYS 62 H LYS 62 4.578 -14.235 9.431 318 HA LYS 62 HA LYS 62 6.274 -15.628 11.326 319 HB2 LYS 62 2HB LYS 62 5.927 -13.119 11.286 320 HB3 LYS 62 1HB LYS 62 4.316 -13.416 11.920 321 HG2 LYS 62 2HG LYS 62 6.501 -14.713 13.396 322 HG3 LYS 62 1HG LYS 62 6.483 -12.947 13.452 323 HD2 LYS 62 2HD LYS 62 4.103 -13.050 14.157 324 HD3 LYS 62 1HD LYS 62 4.237 -14.810 14.222 325 HE2 LYS 62 2HE LYS 62 4.522 -13.934 16.441 326 HE3 LYS 62 1HE LYS 62 6.075 -14.548 15.877 327 HZ1 LYS 62 3HZ LYS 62 5.238 -11.699 15.916 328 HZ2 LYS 62 1HZ LYS 62 6.714 -12.275 15.319 329 HZ3 LYS 62 2HZ LYS 62 6.346 -12.425 16.966 330 H GLU 63 H GLU 63 2.903 -15.469 10.445 331 HA GLU 63 HA GLU 63 2.153 -17.037 12.794 332 HB2 GLU 63 2HB GLU 63 0.878 -14.985 11.488 333 HB3 GLU 63 1HB GLU 63 0.027 -16.407 10.886 334 HG2 GLU 63 2HG GLU 63 0.500 -16.137 13.812 335 HG3 GLU 63 1HG GLU 63 -0.764 -15.172 13.052 336 H HIS 64 H HIS 64 1.884 -17.232 9.235 337 HA HIS 64 HA HIS 64 1.458 -20.125 9.573 338 HB2 HIS 64 2HB HIS 64 0.395 -18.273 7.445 339 HB3 HIS 64 1HB HIS 64 0.296 -20.027 7.342 340 HD1 HIS 64 1HD HIS 64 -1.443 -21.203 8.813 341 HD2 HIS 64 2HD HIS 64 -1.317 -17.084 9.344 342 HE1 HIS 64 1HE HIS 64 -3.496 -20.635 10.149 343 HE2 HIS 64 2HE HIS 64 -3.365 -18.145 10.515 344 H PHE 65 H PHE 65 3.874 -18.206 8.922 345 HA PHE 65 HA PHE 65 5.836 -18.367 7.776 346 HB2 PHE 65 2HB PHE 65 5.531 -20.727 8.782 347 HB3 PHE 65 1HB PHE 65 5.136 -21.217 7.132 348 HD1 PHE 65 2HD PHE 65 7.767 -19.482 9.111 349 HD2 PHE 65 1HD PHE 65 6.829 -21.808 5.673 350 HE1 PHE 65 2HE PHE 65 10.165 -19.702 8.610 351 HE2 PHE 65 1HE PHE 65 9.223 -22.033 5.167 352 HZ PHE 65 HZ PHE 65 10.890 -20.979 6.638 353 H LYS 66 H LYS 66 6.458 -17.719 5.814 354 HA LYS 66 HA LYS 66 6.428 -17.238 3.594 355 HB2 LYS 66 2HB LYS 66 5.034 -19.913 3.505 356 HB3 LYS 66 1HB LYS 66 5.497 -19.016 2.066 357 HG2 LYS 66 2HG LYS 66 7.635 -19.452 4.041 358 HG3 LYS 66 1HG LYS 66 7.022 -20.895 3.229 359 HD2 LYS 66 2HD LYS 66 7.281 -19.348 1.092 360 HD3 LYS 66 1HD LYS 66 8.470 -18.541 2.117 361 HE2 LYS 66 2HE LYS 66 8.742 -21.424 2.213 362 HE3 LYS 66 1HE LYS 66 8.872 -20.809 0.564 363 HZ1 LYS 66 3HZ LYS 66 10.597 -19.294 1.284 364 HZ2 LYS 66 1HZ LYS 66 11.018 -20.883 1.686 365 HZ3 LYS 66 2HZ LYS 66 10.454 -19.834 2.881 366 H GLU 67 H GLU 67 5.254 -15.820 2.465 367 HA GLU 67 HA GLU 67 2.583 -15.221 3.255 368 HB2 GLU 67 2HB GLU 67 2.678 -13.492 1.510 369 HB3 GLU 67 1HB GLU 67 4.107 -13.459 2.533 370 HG2 GLU 67 2HG GLU 67 5.079 -13.248 0.491 371 HG3 GLU 67 1HG GLU 67 5.082 -15.005 0.652 372 H PHE 68 H PHE 68 0.772 -15.015 1.682 373 HA PHE 68 HA PHE 68 0.832 -17.134 -0.358 374 HB2 PHE 68 2HB PHE 68 -1.582 -16.583 1.363 375 HB3 PHE 68 1HB PHE 68 -1.301 -17.953 0.294 376 HD1 PHE 68 1HD PHE 68 -0.213 -16.373 3.457 377 HD2 PHE 68 2HD PHE 68 -0.245 -19.898 1.072 378 HE1 PHE 68 1HE PHE 68 0.681 -17.660 5.353 379 HE2 PHE 68 2HE PHE 68 0.648 -21.191 2.964 380 HZ PHE 68 HZ PHE 68 1.113 -20.072 5.109 381 H ASP 69 H ASP 69 -0.842 -14.241 0.827 382 HA ASP 69 HA ASP 69 -2.026 -13.799 -1.798 383 HB2 ASP 69 2HB ASP 69 -3.188 -11.910 -0.696 384 HB3 ASP 69 1HB ASP 69 -3.454 -13.438 0.138 385 H LYS 70 H LYS 70 -1.623 -12.008 -3.087 386 HA LYS 70 HA LYS 70 0.816 -10.495 -2.415 387 HB2 LYS 70 2HB LYS 70 0.832 -12.176 -4.396 388 HB3 LYS 70 1HB LYS 70 -0.114 -10.954 -5.234 389 HG2 LYS 70 2HG LYS 70 1.626 -9.453 -5.299 390 HG3 LYS 70 1HG LYS 70 2.455 -10.189 -3.927 391 HD2 LYS 70 2HD LYS 70 2.950 -12.165 -5.329 392 HD3 LYS 70 1HD LYS 70 2.196 -11.348 -6.699 393 HE2 LYS 70 2HE LYS 70 3.957 -9.460 -5.856 394 HE3 LYS 70 1HE LYS 70 4.829 -10.938 -5.451 395 HZ1 LYS 70 3HZ LYS 70 4.923 -9.802 -7.844 396 HZ2 LYS 70 1HZ LYS 70 3.615 -10.850 -8.092 397 HZ3 LYS 70 2HZ LYS 70 5.120 -11.467 -7.610 398 H ILE 71 H ILE 71 0.903 -8.286 -3.089 399 HA ILE 71 HA ILE 71 -1.664 -7.114 -3.877 400 HB ILE 71 HB ILE 71 -1.570 -6.926 -1.448 401 HG12 ILE 71 2HG1 ILE 71 -0.948 -4.148 -2.332 402 HG13 ILE 71 1HG1 ILE 71 -2.276 -4.981 -3.130 403 HG21 ILE 71 1HG2 ILE 71 0.778 -5.106 -1.586 404 HG22 ILE 71 2HG2 ILE 71 1.050 -6.851 -1.591 405 HG23 ILE 71 3HG2 ILE 71 0.189 -6.096 -0.249 406 HD11 ILE 71 3HD1 ILE 71 -2.024 -4.562 -0.161 407 HD12 ILE 71 1HD1 ILE 71 -3.381 -5.309 -1.004 408 HD13 ILE 71 2HD1 ILE 71 -3.022 -3.600 -1.254 409 H SER 72 H SER 72 -1.373 -5.916 -5.614 410 HA SER 72 HA SER 72 1.258 -4.744 -6.146 411 HB2 SER 72 2HB SER 72 -1.077 -4.772 -8.056 412 HB3 SER 72 1HB SER 72 0.634 -4.633 -8.424 413 HG SER 72 HG SER 72 0.869 -6.806 -7.706 414 H TYR 73 H TYR 73 1.584 -2.603 -5.943 415 HA TYR 73 HA TYR 73 -0.758 -0.845 -5.881 416 HB2 TYR 73 2HB TYR 73 0.120 0.342 -3.953 417 HB3 TYR 73 1HB TYR 73 -0.084 -1.358 -3.573 418 HD1 TYR 73 1HD TYR 73 2.024 -2.845 -3.726 419 HD2 TYR 73 2HD TYR 73 2.143 1.404 -3.543 420 HE1 TYR 73 1HE TYR 73 4.367 -2.947 -2.977 421 HE2 TYR 73 2HE TYR 73 4.476 1.311 -2.790 422 HH TYR 73 HH TYR 73 6.408 -0.283 -2.952 423 H ASP 74 H ASP 74 -0.498 1.188 -6.673 424 HA ASP 74 HA ASP 74 2.091 2.213 -7.406 425 HB2 ASP 74 2HB ASP 74 1.009 0.536 -9.243 426 HB3 ASP 74 1HB ASP 74 0.300 2.066 -9.760 427 H ILE 75 H ILE 75 1.975 4.389 -8.281 428 HA ILE 75 HA ILE 75 -0.439 5.775 -7.348 429 HB ILE 75 HB ILE 75 1.681 6.460 -6.318 430 HG12 ILE 75 2HG1 ILE 75 0.958 8.811 -7.989 431 HG13 ILE 75 1HG1 ILE 75 -0.334 8.045 -7.070 432 HG21 ILE 75 1HG2 ILE 75 3.540 6.985 -7.452 433 HG22 ILE 75 2HG2 ILE 75 2.665 7.892 -8.675 434 HG23 ILE 75 3HG2 ILE 75 2.779 6.139 -8.788 435 HD11 ILE 75 3HD1 ILE 75 1.991 9.614 -6.150 436 HD12 ILE 75 1HD1 ILE 75 1.503 8.243 -5.139 437 HD13 ILE 75 2HD1 ILE 75 0.347 9.531 -5.508 438 H SER 76 H SER 76 -1.786 6.692 -8.737 439 HA SER 76 HA SER 76 -1.115 6.731 -11.567 440 HB2 SER 76 2HB SER 76 -3.606 6.895 -9.969 441 HB3 SER 76 1HB SER 76 -3.612 7.724 -11.524 442 HG SER 76 HG SER 76 -3.018 4.988 -11.054 443 H THR 77 H THR 77 -0.167 8.436 -12.439 444 HA THR 77 HA THR 77 0.396 10.581 -12.946 445 HB THR 77 HB THR 77 -1.743 11.935 -11.480 446 HG1 THR 77 1HG THR 77 -2.375 9.800 -13.222 447 HG21 THR 77 3HG2 THR 77 -2.308 12.232 -14.120 448 HG22 THR 77 1HG2 THR 77 -0.568 11.948 -14.153 449 HG23 THR 77 2HG2 THR 77 -1.228 13.271 -13.190 450 HA PRO 78 HA PRO 78 2.921 11.922 -9.600 451 HB2 PRO 78 2HB PRO 78 2.928 14.660 -10.187 452 HB3 PRO 78 1HB PRO 78 4.065 13.453 -10.809 453 HG2 PRO 78 2HG PRO 78 1.632 14.600 -12.091 454 HG3 PRO 78 1HG PRO 78 3.173 14.137 -12.820 455 HD2 PRO 78 2HD PRO 78 1.001 12.608 -13.086 456 HD3 PRO 78 1HD PRO 78 2.607 11.885 -12.872 457 H ILE 79 H ILE 79 -0.031 13.726 -10.288 458 HA ILE 79 HA ILE 79 -0.705 13.739 -7.476 459 HB ILE 79 HB ILE 79 -1.140 16.214 -7.454 460 HG12 ILE 79 2HG1 ILE 79 0.907 16.774 -9.462 461 HG13 ILE 79 1HG1 ILE 79 -0.537 16.048 -10.151 462 HG21 ILE 79 1HG2 ILE 79 0.896 14.970 -6.489 463 HG22 ILE 79 2HG2 ILE 79 0.979 16.716 -6.641 464 HG23 ILE 79 3HG2 ILE 79 1.786 15.696 -7.825 465 HD11 ILE 79 3HD1 ILE 79 -0.926 18.330 -10.283 466 HD12 ILE 79 1HD1 ILE 79 -0.254 18.628 -8.677 467 HD13 ILE 79 2HD1 ILE 79 -1.814 17.838 -8.841 468 H ASN 80 H ASN 80 -2.328 12.364 -8.546 469 HA ASN 80 HA ASN 80 -4.640 13.970 -9.301 470 HB2 ASN 80 2HB ASN 80 -3.615 13.374 -11.441 471 HB3 ASN 80 1HB ASN 80 -3.640 11.669 -10.992 472 HD21 ASN 80 1HD2 ASN 80 -5.854 14.438 -11.180 473 HD22 ASN 80 2HD2 ASN 80 -7.166 13.560 -11.871 474 H PHE 81 H PHE 81 -4.013 10.479 -9.543 475 HA PHE 81 HA PHE 81 -5.782 10.045 -7.243 476 HB2 PHE 81 2HB PHE 81 -6.223 9.185 -10.045 477 HB3 PHE 81 1HB PHE 81 -6.568 7.989 -8.798 478 HD1 PHE 81 2HD PHE 81 -8.178 8.629 -6.949 479 HD2 PHE 81 1HD PHE 81 -7.737 10.888 -10.522 480 HE1 PHE 81 2HE PHE 81 -10.369 9.676 -6.549 481 HE2 PHE 81 1HE PHE 81 -9.926 11.943 -10.130 482 HZ PHE 81 HZ PHE 81 -11.246 11.335 -8.143 483 H LEU 82 H LEU 82 -5.769 7.665 -6.597 484 HA LEU 82 HA LEU 82 -3.075 6.545 -6.970 485 HB2 LEU 82 2HB LEU 82 -3.573 7.594 -4.706 486 HB3 LEU 82 1HB LEU 82 -4.722 6.299 -4.458 487 HG LEU 82 HG LEU 82 -2.595 5.851 -3.340 488 HD11 LEU 82 1HD1 LEU 82 -2.646 3.638 -3.774 489 HD12 LEU 82 2HD1 LEU 82 -2.546 3.867 -5.520 490 HD13 LEU 82 3HD1 LEU 82 -4.085 4.095 -4.689 491 HD21 LEU 82 3HD2 LEU 82 -0.943 5.157 -5.532 492 HD22 LEU 82 1HD2 LEU 82 -0.664 6.374 -4.294 493 HD23 LEU 82 2HD2 LEU 82 -1.499 6.812 -5.779 494 H CYS 83 H CYS 83 -3.050 4.547 -7.796 495 HA CYS 83 HA CYS 83 -5.555 3.003 -7.734 496 HB2 CYS 83 2HB CYS 83 -3.441 3.380 -9.775 497 HB3 CYS 83 1HB CYS 83 -4.114 1.760 -9.647 498 HG CYS 83 HG CYS 83 -5.674 4.264 -10.560 499 H ILE 84 H ILE 84 -5.624 1.203 -6.569 500 HA ILE 84 HA ILE 84 -3.105 -0.192 -5.998 501 HB ILE 84 HB ILE 84 -5.126 0.826 -4.075 502 HG12 ILE 84 2HG1 ILE 84 -2.409 1.193 -4.577 503 HG13 ILE 84 1HG1 ILE 84 -3.315 1.796 -3.195 504 HG21 ILE 84 1HG2 ILE 84 -4.413 -0.922 -2.408 505 HG22 ILE 84 2HG2 ILE 84 -3.788 -1.849 -3.772 506 HG23 ILE 84 3HG2 ILE 84 -5.508 -1.474 -3.674 507 HD11 ILE 84 3HD1 ILE 84 -1.996 -0.899 -3.253 508 HD12 ILE 84 1HD1 ILE 84 -2.655 -0.040 -1.862 509 HD13 ILE 84 2HD1 ILE 84 -1.207 0.563 -2.666 510 H PHE 85 H PHE 85 -3.211 -2.110 -6.933 511 HA PHE 85 HA PHE 85 -5.767 -3.576 -6.878 512 HB2 PHE 85 2HB PHE 85 -3.544 -3.724 -8.927 513 HB3 PHE 85 1HB PHE 85 -4.979 -4.741 -8.923 514 HD1 PHE 85 1HD PHE 85 -3.676 -1.388 -9.551 515 HD2 PHE 85 2HD PHE 85 -7.137 -3.863 -9.553 516 HE1 PHE 85 1HE PHE 85 -4.879 0.302 -10.869 517 HE2 PHE 85 2HE PHE 85 -8.347 -2.176 -10.872 518 HZ PHE 85 HZ PHE 85 -7.218 -0.089 -11.533 519 H ILE 86 H ILE 86 -5.681 -5.108 -5.371 520 HA ILE 86 HA ILE 86 -3.104 -6.373 -4.788 521 HB ILE 86 HB ILE 86 -4.152 -5.482 -2.837 522 HG12 ILE 86 2HG1 ILE 86 -4.552 -8.481 -2.895 523 HG13 ILE 86 1HG1 ILE 86 -3.035 -7.656 -2.558 524 HG21 ILE 86 1HG2 ILE 86 -6.366 -5.184 -3.018 525 HG22 ILE 86 2HG2 ILE 86 -6.459 -6.783 -2.278 526 HG23 ILE 86 3HG2 ILE 86 -6.581 -6.613 -4.028 527 HD11 ILE 86 3HD1 ILE 86 -5.170 -6.756 -0.825 528 HD12 ILE 86 1HD1 ILE 86 -3.566 -7.371 -0.424 529 HD13 ILE 86 2HD1 ILE 86 -4.895 -8.494 -0.710 530 HA PRO 87 HA PRO 87 -5.022 -9.869 -6.983 531 HB2 PRO 87 2HB PRO 87 -2.802 -10.853 -8.088 532 HB3 PRO 87 1HB PRO 87 -3.579 -9.396 -8.723 533 HG2 PRO 87 2HG PRO 87 -1.139 -9.662 -7.030 534 HG3 PRO 87 1HG PRO 87 -1.480 -8.514 -8.335 535 HD2 PRO 87 2HD PRO 87 -1.710 -7.996 -5.598 536 HD3 PRO 87 1HD PRO 87 -2.416 -7.026 -6.901 537 H THR 88 H THR 88 -5.508 -11.664 -5.909 538 HA THR 88 HA THR 88 -3.483 -13.355 -4.793 539 HB THR 88 HB THR 88 -3.646 -11.718 -2.988 540 HG1 THR 88 1HG THR 88 -5.052 -13.831 -1.871 541 HG21 THR 88 3HG2 THR 88 -6.026 -12.093 -1.723 542 HG22 THR 88 1HG2 THR 88 -6.519 -12.020 -3.415 543 HG23 THR 88 2HG2 THR 88 -5.602 -10.691 -2.705 544 H LEU 89 H LEU 89 -4.137 -15.426 -4.739 545 HA LEU 89 HA LEU 89 -6.509 -16.212 -5.987 546 HB2 LEU 89 2HB LEU 89 -4.324 -17.513 -5.631 547 HB3 LEU 89 1HB LEU 89 -4.992 -17.959 -4.072 548 HG LEU 89 HG LEU 89 -7.047 -18.626 -5.743 549 HD11 LEU 89 1HD1 LEU 89 -4.527 -19.409 -7.192 550 HD12 LEU 89 2HD1 LEU 89 -5.576 -18.081 -7.690 551 HD13 LEU 89 3HD1 LEU 89 -6.193 -19.733 -7.670 552 HD21 LEU 89 3HD2 LEU 89 -4.838 -20.069 -4.411 553 HD22 LEU 89 1HD2 LEU 89 -5.761 -20.969 -5.616 554 HD23 LEU 89 2HD2 LEU 89 -6.584 -20.247 -4.232 555 H PHE 90 H PHE 90 -5.941 -15.302 -2.729 556 HA PHE 90 HA PHE 90 -7.298 -15.122 -0.920 557 HB2 PHE 90 2HB PHE 90 -8.966 -14.129 -2.292 558 HB3 PHE 90 1HB PHE 90 -9.400 -15.671 -3.016 559 HD1 PHE 90 2HD PHE 90 -9.615 -13.620 0.033 560 HD2 PHE 90 1HD PHE 90 -10.951 -17.130 -1.967 561 HE1 PHE 90 2HE PHE 90 -11.390 -13.897 1.715 562 HE2 PHE 90 1HE PHE 90 -12.729 -17.413 -0.290 563 HZ PHE 90 HZ PHE 90 -12.950 -15.796 1.554 564 H ASP 91 H ASP 91 -7.602 -16.446 0.738 565 HA ASP 91 HA ASP 91 -8.936 -18.875 0.778 566 HB2 ASP 91 2HB ASP 91 -6.598 -19.221 -0.625 567 HB3 ASP 91 1HB ASP 91 -6.122 -19.696 1.006 568 H MET 92 H MET 92 -5.901 -17.484 2.013 569 HA MET 92 HA MET 92 -6.419 -18.405 4.688 570 HB2 MET 92 2HB MET 92 -4.153 -17.693 3.315 571 HB3 MET 92 1HB MET 92 -4.405 -16.292 4.357 572 HG2 MET 92 2HG MET 92 -4.120 -19.159 5.227 573 HG3 MET 92 1HG MET 92 -2.942 -17.864 5.436 574 HE1 MET 92 3HE MET 92 -3.887 -16.060 8.500 575 HE2 MET 92 1HE MET 92 -4.101 -15.386 6.885 576 HE3 MET 92 2HE MET 92 -2.728 -16.437 7.225 577 H ASN 93 H ASN 93 -7.128 -15.583 2.836 578 HA ASN 93 HA ASN 93 -7.712 -13.997 5.217 579 HB2 ASN 93 2HB ASN 93 -7.700 -13.328 2.271 580 HB3 ASN 93 1HB ASN 93 -8.243 -12.202 3.512 581 HD21 ASN 93 1HD2 ASN 93 -5.719 -12.962 1.630 582 HD22 ASN 93 2HD2 ASN 93 -4.418 -12.376 2.603 583 H ASN 94 H ASN 94 -9.289 -16.392 4.396 584 HA ASN 94 HA ASN 94 -11.735 -15.735 3.258 585 HB2 ASN 94 2HB ASN 94 -10.652 -18.019 4.213 586 HB3 ASN 94 1HB ASN 94 -11.808 -17.673 5.496 587 HD21 ASN 94 1HD2 ASN 94 -13.832 -18.289 5.208 588 HD22 ASN 94 2HD2 ASN 94 -14.535 -18.779 3.708 589 H MET 95 H MET 95 -10.475 -14.919 6.363 590 HA MET 95 HA MET 95 -13.091 -14.303 7.470 591 HB2 MET 95 2HB MET 95 -10.316 -13.939 8.612 592 HB3 MET 95 1HB MET 95 -11.811 -13.616 9.478 593 HG2 MET 95 2HG MET 95 -12.435 -15.997 9.181 594 HG3 MET 95 1HG MET 95 -10.852 -16.277 8.457 595 HE1 MET 95 3HE MET 95 -8.821 -15.284 9.488 596 HE2 MET 95 1HE MET 95 -8.329 -15.994 11.025 597 HE3 MET 95 2HE MET 95 -8.928 -14.335 10.970 598 H ASP 96 H ASP 96 -11.592 -12.825 5.156 599 HA ASP 96 HA ASP 96 -11.473 -10.703 4.357 600 HB2 ASP 96 2HB ASP 96 -13.865 -10.880 5.700 601 HB3 ASP 96 1HB ASP 96 -13.131 -9.456 6.432 602 H LEU 97 H LEU 97 -9.440 -9.994 4.663 603 HA LEU 97 HA LEU 97 -8.843 -8.665 7.225 604 HB2 LEU 97 2HB LEU 97 -7.501 -10.806 6.050 605 HB3 LEU 97 1HB LEU 97 -6.492 -9.415 5.701 606 HG LEU 97 HG LEU 97 -6.661 -8.891 8.211 607 HD11 LEU 97 1HD1 LEU 97 -7.118 -10.753 9.670 608 HD12 LEU 97 2HD1 LEU 97 -7.442 -11.800 8.288 609 HD13 LEU 97 3HD1 LEU 97 -8.522 -10.453 8.646 610 HD21 LEU 97 3HD2 LEU 97 -5.004 -10.960 8.596 611 HD22 LEU 97 1HD2 LEU 97 -4.549 -9.515 7.691 612 HD23 LEU 97 2HD2 LEU 97 -5.071 -10.965 6.834 613 H LEU 98 H LEU 98 -9.469 -8.117 4.021 614 HA LEU 98 HA LEU 98 -7.528 -6.204 3.306 615 HB2 LEU 98 2HB LEU 98 -10.241 -6.950 2.354 616 HB3 LEU 98 1HB LEU 98 -9.621 -5.384 1.866 617 HG LEU 98 HG LEU 98 -9.130 -6.964 0.134 618 HD11 LEU 98 1HD1 LEU 98 -6.446 -6.873 1.338 619 HD12 LEU 98 2HD1 LEU 98 -7.289 -5.327 1.226 620 HD13 LEU 98 3HD1 LEU 98 -7.014 -6.288 -0.226 621 HD21 LEU 98 3HD2 LEU 98 -7.455 -8.858 0.821 622 HD22 LEU 98 1HD2 LEU 98 -9.193 -9.081 1.016 623 HD23 LEU 98 2HD2 LEU 98 -8.198 -8.652 2.407 624 H LYS 99 H LYS 99 -10.078 -6.065 5.561 625 HA LYS 99 HA LYS 99 -10.958 -3.453 5.460 626 HB2 LYS 99 2HB LYS 99 -10.770 -5.540 7.518 627 HB3 LYS 99 1HB LYS 99 -10.817 -3.902 8.156 628 HG2 LYS 99 2HG LYS 99 -12.800 -4.141 6.128 629 HG3 LYS 99 1HG LYS 99 -12.962 -5.497 7.247 630 HD2 LYS 99 2HD LYS 99 -12.508 -2.909 8.548 631 HD3 LYS 99 1HD LYS 99 -14.013 -3.005 7.632 632 HE2 LYS 99 2HE LYS 99 -13.299 -5.258 9.442 633 HE3 LYS 99 1HE LYS 99 -13.888 -3.758 10.157 634 HZ1 LYS 99 3HZ LYS 99 -15.872 -4.726 9.806 635 HZ2 LYS 99 1HZ LYS 99 -15.304 -5.735 8.571 636 HZ3 LYS 99 2HZ LYS 99 -15.686 -4.122 8.236 637 H GLN 100 H GLN 100 -7.840 -4.640 6.395 638 HA GLN 100 HA GLN 100 -7.033 -2.364 7.912 639 HB2 GLN 100 2HB GLN 100 -6.018 -4.835 7.645 640 HB3 GLN 100 1HB GLN 100 -4.989 -3.990 6.497 641 HG2 GLN 100 2HG GLN 100 -4.786 -2.304 8.545 642 HG3 GLN 100 1HG GLN 100 -5.134 -3.786 9.438 643 HE21 GLN 100 1HE2 GLN 100 -3.072 -3.795 10.349 644 HE22 GLN 100 2HE2 GLN 100 -1.672 -4.236 9.438 645 H ALA 101 H ALA 101 -6.941 -3.261 4.542 646 HA ALA 101 HA ALA 101 -5.265 -1.054 3.750 647 HB1 ALA 101 1HB ALA 101 -6.523 -2.061 1.484 648 HB2 ALA 101 2HB ALA 101 -6.316 -3.451 2.551 649 HB3 ALA 101 3HB ALA 101 -4.919 -2.480 2.086 650 H LEU 102 H LEU 102 -8.694 -1.865 3.698 651 HA LEU 102 HA LEU 102 -9.519 0.410 2.209 652 HB2 LEU 102 2HB LEU 102 -10.807 -1.718 2.444 653 HB3 LEU 102 1HB LEU 102 -11.163 -1.269 4.100 654 HG LEU 102 HG LEU 102 -12.987 -0.827 2.411 655 HD11 LEU 102 1HD1 LEU 102 -12.299 0.498 4.685 656 HD12 LEU 102 2HD1 LEU 102 -13.789 0.751 3.779 657 HD13 LEU 102 3HD1 LEU 102 -12.410 1.818 3.522 658 HD21 LEU 102 3HD2 LEU 102 -11.037 0.233 0.882 659 HD22 LEU 102 1HD2 LEU 102 -11.685 1.696 1.630 660 HD23 LEU 102 2HD2 LEU 102 -12.750 0.633 0.711 661 H LEU 103 H LEU 103 -9.020 -0.210 5.620 662 HA LEU 103 HA LEU 103 -10.353 2.205 6.453 663 HB2 LEU 103 2HB LEU 103 -8.959 -0.036 7.773 664 HB3 LEU 103 1HB LEU 103 -8.858 1.504 8.605 665 HG LEU 103 HG LEU 103 -11.537 1.346 8.018 666 HD11 LEU 103 1HD1 LEU 103 -10.517 -1.423 8.623 667 HD12 LEU 103 2HD1 LEU 103 -11.452 -0.902 7.221 668 HD13 LEU 103 3HD1 LEU 103 -12.196 -0.921 8.821 669 HD21 LEU 103 3HD2 LEU 103 -10.006 0.510 10.471 670 HD22 LEU 103 1HD2 LEU 103 -11.757 0.699 10.435 671 HD23 LEU 103 2HD2 LEU 103 -10.716 2.087 10.125 672 H ILE 104 H ILE 104 -6.988 1.131 6.128 673 HA ILE 104 HA ILE 104 -5.744 3.419 7.136 674 HB ILE 104 HB ILE 104 -4.527 1.342 6.688 675 HG12 ILE 104 2HG1 ILE 104 -2.491 2.335 5.761 676 HG13 ILE 104 1HG1 ILE 104 -3.427 3.674 5.102 677 HG21 ILE 104 1HG2 ILE 104 -5.603 0.687 4.612 678 HG22 ILE 104 2HG2 ILE 104 -3.854 0.759 4.398 679 HG23 ILE 104 3HG2 ILE 104 -4.870 2.063 3.782 680 HD11 ILE 104 3HD1 ILE 104 -3.622 3.181 8.012 681 HD12 ILE 104 1HD1 ILE 104 -3.634 4.699 7.114 682 HD13 ILE 104 2HD1 ILE 104 -2.114 3.850 7.390 683 H LEU 105 H LEU 105 -6.938 2.709 3.878 684 HA LEU 105 HA LEU 105 -5.869 5.118 2.755 685 HB2 LEU 105 2HB LEU 105 -7.237 4.548 0.789 686 HB3 LEU 105 1HB LEU 105 -6.226 3.221 1.310 687 HG LEU 105 HG LEU 105 -8.360 2.405 2.553 688 HD11 LEU 105 1HD1 LEU 105 -9.346 4.729 1.183 689 HD12 LEU 105 2HD1 LEU 105 -10.165 3.680 2.336 690 HD13 LEU 105 3HD1 LEU 105 -10.178 3.283 0.620 691 HD21 LEU 105 3HD2 LEU 105 -7.363 2.058 -0.129 692 HD22 LEU 105 1HD2 LEU 105 -9.109 1.812 -0.068 693 HD23 LEU 105 2HD2 LEU 105 -8.044 0.872 0.974 694 H HIS 106 H HIS 106 -8.999 4.116 4.037 695 HA HIS 106 HA HIS 106 -10.366 6.500 3.280 696 HB2 HIS 106 2HB HIS 106 -11.246 4.097 4.037 697 HB3 HIS 106 1HB HIS 106 -11.315 4.894 5.602 698 HD1 HIS 106 1HD HIS 106 -13.705 5.425 5.966 699 HD2 HIS 106 2HD HIS 106 -12.478 6.329 2.096 700 HE1 HIS 106 1HE HIS 106 -15.685 6.525 4.866 701 HE2 HIS 106 2HE HIS 106 -14.889 7.143 2.556 702 H ASN 107 H ASN 107 -9.358 5.305 6.493 703 HA ASN 107 HA ASN 107 -9.916 7.590 7.940 704 HB2 ASN 107 2HB ASN 107 -8.045 5.309 8.296 705 HB3 ASN 107 1HB ASN 107 -7.819 6.712 9.329 706 HD21 ASN 107 1HD2 ASN 107 -9.051 3.808 9.410 707 HD22 ASN 107 2HD2 ASN 107 -10.437 4.046 10.416 708 H ASP 108 H ASP 108 -7.136 6.873 5.930 709 HA ASP 108 HA ASP 108 -5.481 8.980 6.810 710 HB2 ASP 108 2HB ASP 108 -4.597 7.089 5.531 711 HB3 ASP 108 1HB ASP 108 -5.550 7.572 4.130 712 H LEU 109 H LEU 109 -7.311 8.746 3.754 713 HA LEU 109 HA LEU 109 -7.056 11.490 3.150 714 HB2 LEU 109 2HB LEU 109 -7.488 9.777 1.447 715 HB3 LEU 109 1HB LEU 109 -9.069 9.481 2.142 716 HG LEU 109 HG LEU 109 -9.487 12.000 1.646 717 HD11 LEU 109 1HD1 LEU 109 -6.959 12.163 0.991 718 HD12 LEU 109 2HD1 LEU 109 -8.176 13.066 0.096 719 HD13 LEU 109 3HD1 LEU 109 -7.537 11.561 -0.560 720 HD21 LEU 109 3HD2 LEU 109 -10.640 11.377 -0.216 721 HD22 LEU 109 1HD2 LEU 109 -10.305 9.784 0.471 722 HD23 LEU 109 2HD2 LEU 109 -9.311 10.400 -0.847 723 H HIS 110 H HIS 110 -9.209 9.738 5.192 724 HA HIS 110 HA HIS 110 -11.461 11.397 5.152 725 HB2 HIS 110 2HB HIS 110 -11.402 9.189 6.235 726 HB3 HIS 110 1HB HIS 110 -10.350 9.835 7.490 727 HD1 HIS 110 1HD HIS 110 -13.647 11.107 6.048 728 HD2 HIS 110 2HD HIS 110 -11.888 10.125 9.685 729 HE1 HIS 110 1HE HIS 110 -15.373 11.638 7.800 730 HE2 HIS 110 2HE HIS 110 -14.324 10.935 9.981 731 H GLU 111 H GLU 111 -9.033 11.342 7.771 732 HA GLU 111 HA GLU 111 -9.766 14.052 8.490 733 HB2 GLU 111 2HB GLU 111 -9.278 12.139 10.123 734 HB3 GLU 111 1HB GLU 111 -7.582 12.419 9.753 735 HG2 GLU 111 2HG GLU 111 -7.635 14.588 10.676 736 HG3 GLU 111 1HG GLU 111 -9.396 14.596 10.738 737 H TYR 112 H TYR 112 -6.605 12.463 7.975 738 HA TYR 112 HA TYR 112 -5.584 14.055 5.993 739 HB2 TYR 112 2HB TYR 112 -5.858 15.554 8.439 740 HB3 TYR 112 1HB TYR 112 -4.148 15.398 8.026 741 HD1 TYR 112 1HD TYR 112 -3.907 15.637 5.249 742 HD2 TYR 112 2HD TYR 112 -6.728 17.573 7.778 743 HE1 TYR 112 1HE TYR 112 -4.140 17.451 3.598 744 HE2 TYR 112 2HE TYR 112 -6.967 19.392 6.138 745 HH TYR 112 HH TYR 112 -6.630 19.686 3.667 746 H VAL 113 H VAL 113 -4.476 13.215 9.279 747 HA VAL 113 HA VAL 113 -2.573 12.173 10.010 748 HB VAL 113 HB VAL 113 -4.018 10.279 9.370 749 HG11 VAL 113 1HG1 VAL 113 -4.307 10.583 7.031 750 HG12 VAL 113 2HG1 VAL 113 -3.443 9.064 7.246 751 HG13 VAL 113 3HG1 VAL 113 -2.568 10.512 6.743 752 HG21 VAL 113 3HG2 VAL 113 -1.514 10.157 10.175 753 HG22 VAL 113 1HG2 VAL 113 -1.287 9.403 8.598 754 HG23 VAL 113 2HG2 VAL 113 -2.416 8.707 9.761 755 H GLU 114 H GLU 114 -1.986 14.264 8.203 756 HA GLU 114 HA GLU 114 0.422 13.190 6.882 757 HB2 GLU 114 2HB GLU 114 -1.589 14.265 5.507 758 HB3 GLU 114 1HB GLU 114 -0.781 15.757 5.952 759 HG2 GLU 114 2HG GLU 114 0.179 15.285 3.926 760 HG3 GLU 114 1HG GLU 114 1.342 14.577 5.038 Start of MODEL 9 1 H THR 26 H THR 26 -12.411 -11.551 -6.530 2 HA THR 26 HA THR 26 -11.353 -13.108 -4.453 3 HB THR 26 HB THR 26 -11.732 -15.307 -6.013 4 HG1 THR 26 1HG THR 26 -13.344 -14.899 -7.282 5 HG21 THR 26 3HG2 THR 26 -13.942 -14.891 -4.135 6 HG22 THR 26 1HG2 THR 26 -12.329 -14.669 -3.460 7 HG23 THR 26 2HG2 THR 26 -12.757 -16.194 -4.235 8 H SER 27 H SER 27 -9.310 -13.944 -4.963 9 HA SER 27 HA SER 27 -7.377 -14.242 -6.143 10 HB2 SER 27 2HB SER 27 -9.024 -15.134 -7.935 11 HB3 SER 27 1HB SER 27 -8.789 -13.570 -8.715 12 H LYS 28 H LYS 28 -9.202 -11.691 -7.854 13 HA LYS 28 HA LYS 28 -6.875 -9.931 -7.499 14 HB2 LYS 28 2HB LYS 28 -9.149 -9.637 -9.466 15 HB3 LYS 28 1HB LYS 28 -7.684 -8.667 -9.403 16 HG2 LYS 28 2HG LYS 28 -7.050 -10.077 -11.042 17 HG3 LYS 28 1HG LYS 28 -6.578 -11.084 -9.671 18 HD2 LYS 28 2HD LYS 28 -7.797 -12.588 -10.908 19 HD3 LYS 28 1HD LYS 28 -9.054 -11.939 -9.853 20 HE2 LYS 28 2HE LYS 28 -9.827 -10.466 -11.580 21 HE3 LYS 28 1HE LYS 28 -8.467 -10.894 -12.618 22 HZ1 LYS 28 3HZ LYS 28 -9.436 -12.814 -13.241 23 HZ2 LYS 28 1HZ LYS 28 -10.865 -12.017 -12.809 24 HZ3 LYS 28 2HZ LYS 28 -10.140 -13.100 -11.730 25 H GLN 29 H GLN 29 -7.028 -8.166 -6.271 26 HA GLN 29 HA GLN 29 -9.674 -7.083 -5.637 27 HB2 GLN 29 2HB GLN 29 -8.379 -8.688 -3.842 28 HB3 GLN 29 1HB GLN 29 -7.794 -7.093 -3.368 29 HG2 GLN 29 2HG GLN 29 -9.800 -6.439 -2.583 30 HG3 GLN 29 1HG GLN 29 -10.695 -7.320 -3.821 31 HE21 GLN 29 1HE2 GLN 29 -8.610 -7.949 -1.020 32 HE22 GLN 29 2HE2 GLN 29 -9.534 -9.275 -0.411 33 H GLU 30 H GLU 30 -9.729 -4.885 -5.297 34 HA GLU 30 HA GLU 30 -7.171 -3.462 -5.446 35 HB2 GLU 30 2HB GLU 30 -7.874 -2.067 -7.209 36 HB3 GLU 30 1HB GLU 30 -8.308 -3.698 -7.700 37 HG2 GLU 30 2HG GLU 30 -10.579 -2.874 -6.438 38 HG3 GLU 30 1HG GLU 30 -10.002 -1.378 -7.171 39 H LEU 31 H LEU 31 -7.018 -1.650 -4.255 40 HA LEU 31 HA LEU 31 -9.424 -0.800 -2.780 41 HB2 LEU 31 2HB LEU 31 -6.535 -0.667 -1.906 42 HB3 LEU 31 1HB LEU 31 -7.908 -0.102 -0.974 43 HG LEU 31 HG LEU 31 -8.243 -2.879 -1.732 44 HD11 LEU 31 1HD1 LEU 31 -6.429 -3.560 0.014 45 HD12 LEU 31 2HD1 LEU 31 -5.662 -2.052 -0.484 46 HD13 LEU 31 3HD1 LEU 31 -5.986 -3.311 -1.675 47 HD21 LEU 31 3HD2 LEU 31 -8.565 -3.113 0.704 48 HD22 LEU 31 1HD2 LEU 31 -9.531 -1.811 0.010 49 HD23 LEU 31 2HD2 LEU 31 -8.062 -1.436 0.910 50 H ILE 32 H ILE 32 -10.152 1.044 -3.593 51 HA ILE 32 HA ILE 32 -8.478 2.861 -5.039 52 HB ILE 32 HB ILE 32 -10.514 4.290 -5.153 53 HG12 ILE 32 2HG1 ILE 32 -12.363 2.282 -4.185 54 HG13 ILE 32 1HG1 ILE 32 -11.280 2.802 -2.899 55 HG21 ILE 32 1HG2 ILE 32 -11.840 2.694 -6.510 56 HG22 ILE 32 2HG2 ILE 32 -10.830 1.391 -5.903 57 HG23 ILE 32 3HG2 ILE 32 -10.117 2.669 -6.883 58 HD11 ILE 32 3HD1 ILE 32 -11.980 5.186 -3.981 59 HD12 ILE 32 1HD1 ILE 32 -12.792 4.421 -2.614 60 HD13 ILE 32 2HD1 ILE 32 -13.445 4.242 -4.243 61 H LEU 33 H LEU 33 -7.371 4.542 -4.305 62 HA LEU 33 HA LEU 33 -8.119 5.725 -1.721 63 HB2 LEU 33 2HB LEU 33 -5.240 5.718 -2.367 64 HB3 LEU 33 1HB LEU 33 -6.046 5.548 -0.816 65 HG LEU 33 HG LEU 33 -6.695 3.176 -1.793 66 HD11 LEU 33 1HD1 LEU 33 -5.580 3.749 -3.984 67 HD12 LEU 33 2HD1 LEU 33 -5.094 2.227 -3.240 68 HD13 LEU 33 3HD1 LEU 33 -4.044 3.639 -3.127 69 HD21 LEU 33 3HD2 LEU 33 -3.878 3.246 -0.948 70 HD22 LEU 33 1HD2 LEU 33 -5.250 2.376 -0.262 71 HD23 LEU 33 2HD2 LEU 33 -5.010 4.081 0.116 72 H VAL 34 H VAL 34 -6.550 7.833 -1.501 73 HA VAL 34 HA VAL 34 -6.292 9.209 -4.040 74 HB VAL 34 HB VAL 34 -8.120 10.332 -1.919 75 HG11 VAL 34 1HG1 VAL 34 -8.511 12.139 -3.389 76 HG12 VAL 34 2HG1 VAL 34 -7.720 11.311 -4.734 77 HG13 VAL 34 3HG1 VAL 34 -6.757 11.902 -3.379 78 HG21 VAL 34 3HG2 VAL 34 -9.276 8.512 -2.923 79 HG22 VAL 34 1HG2 VAL 34 -8.738 8.976 -4.537 80 HG23 VAL 34 2HG2 VAL 34 -9.893 9.986 -3.670 81 H LEU 35 H LEU 35 -4.510 10.299 -3.994 82 HA LEU 35 HA LEU 35 -3.096 10.817 -1.553 83 HB2 LEU 35 2HB LEU 35 -2.401 10.393 -4.187 84 HB3 LEU 35 1HB LEU 35 -2.081 12.108 -3.969 85 HG LEU 35 HG LEU 35 -1.021 10.194 -1.945 86 HD11 LEU 35 1HD1 LEU 35 0.554 9.272 -3.246 87 HD12 LEU 35 2HD1 LEU 35 0.790 10.750 -4.177 88 HD13 LEU 35 3HD1 LEU 35 -0.546 9.662 -4.560 89 HD21 LEU 35 3HD2 LEU 35 -0.583 12.954 -2.812 90 HD22 LEU 35 1HD2 LEU 35 0.894 12.048 -2.530 91 HD23 LEU 35 2HD2 LEU 35 -0.299 12.194 -1.245 92 H LYS 36 H LYS 36 -2.144 13.005 -1.147 93 HA LYS 36 HA LYS 36 -3.846 15.217 -2.018 94 HB2 LYS 36 2HB LYS 36 -3.906 16.055 0.363 95 HB3 LYS 36 1HB LYS 36 -4.883 14.630 0.036 96 HG2 LYS 36 2HG LYS 36 -3.573 13.257 1.292 97 HG3 LYS 36 1HG LYS 36 -2.117 14.220 1.019 98 HD2 LYS 36 2HD LYS 36 -4.438 15.119 2.714 99 HD3 LYS 36 1HD LYS 36 -2.996 14.320 3.357 100 HE2 LYS 36 2HE LYS 36 -1.647 16.149 2.257 101 HE3 LYS 36 1HE LYS 36 -3.176 16.988 1.976 102 HZ1 LYS 36 3HZ LYS 36 -2.115 17.759 3.996 103 HZ2 LYS 36 1HZ LYS 36 -2.094 16.188 4.628 104 HZ3 LYS 36 2HZ LYS 36 -3.564 16.977 4.369 105 H GLY 37 H GLY 37 -2.634 16.853 -2.685 106 HA2 GLY 37 2HA GLY 37 0.197 16.846 -2.317 107 HA3 GLY 37 1HA GLY 37 -0.746 18.089 -3.126 108 H GLU 38 H GLU 38 0.921 17.194 -0.285 109 HA GLU 38 HA GLU 38 0.051 19.686 1.030 110 HB2 GLU 38 2HB GLU 38 0.745 18.540 3.167 111 HB3 GLU 38 1HB GLU 38 -0.680 17.872 2.392 112 HG2 GLU 38 2HG GLU 38 0.310 15.898 1.945 113 HG3 GLU 38 1HG GLU 38 1.890 16.632 1.652 114 H LEU 39 H LEU 39 1.626 21.042 0.278 115 HA LEU 39 HA LEU 39 3.640 22.083 0.190 116 HB2 LEU 39 2HB LEU 39 3.974 20.269 2.534 117 HB3 LEU 39 1HB LEU 39 5.384 21.103 1.909 118 HG LEU 39 HG LEU 39 2.979 22.756 2.442 119 HD11 LEU 39 1HD1 LEU 39 2.959 22.596 4.679 120 HD12 LEU 39 2HD1 LEU 39 4.693 22.322 4.789 121 HD13 LEU 39 3HD1 LEU 39 3.611 20.985 4.375 122 HD21 LEU 39 3HD2 LEU 39 4.895 23.865 1.590 123 HD22 LEU 39 1HD2 LEU 39 5.951 23.078 2.749 124 HD23 LEU 39 2HD2 LEU 39 4.786 24.280 3.298 125 H ASP 40 H ASP 40 4.933 18.903 1.093 126 HA ASP 40 HA ASP 40 6.548 18.918 -1.323 127 HB2 ASP 40 2HB ASP 40 7.354 18.338 1.084 128 HB3 ASP 40 1HB ASP 40 6.633 16.764 0.766 129 H LEU 41 H LEU 41 5.166 18.386 -2.975 130 HA LEU 41 HA LEU 41 3.398 16.117 -2.781 131 HB2 LEU 41 2HB LEU 41 2.921 18.191 -4.127 132 HB3 LEU 41 1HB LEU 41 4.173 17.689 -5.242 133 HG LEU 41 HG LEU 41 2.181 15.601 -4.772 134 HD11 LEU 41 1HD1 LEU 41 0.427 17.019 -4.700 135 HD12 LEU 41 2HD1 LEU 41 0.658 17.020 -6.447 136 HD13 LEU 41 3HD1 LEU 41 1.313 18.340 -5.470 137 HD21 LEU 41 3HD2 LEU 41 3.489 15.153 -6.584 138 HD22 LEU 41 1HD2 LEU 41 3.641 16.863 -7.032 139 HD23 LEU 41 2HD2 LEU 41 2.156 15.975 -7.382 140 H HIS 42 H HIS 42 5.409 14.793 -2.160 141 HA HIS 42 HA HIS 42 6.728 13.758 -4.583 142 HB2 HIS 42 2HB HIS 42 7.891 14.606 -2.255 143 HB3 HIS 42 1HB HIS 42 7.744 12.871 -1.961 144 HD1 HIS 42 1HD HIS 42 8.477 14.345 -5.351 145 HD2 HIS 42 2HD HIS 42 10.412 12.270 -2.313 146 HE1 HIS 42 1HE HIS 42 10.713 13.695 -6.303 147 HE2 HIS 42 2HE HIS 42 11.895 12.505 -4.424 148 H SER 43 H SER 43 4.009 13.086 -3.568 149 HA SER 43 HA SER 43 2.677 11.280 -3.176 150 HB2 SER 43 2HB SER 43 3.264 9.257 -4.471 151 HB3 SER 43 1HB SER 43 3.489 10.726 -5.416 152 HG SER 43 HG SER 43 5.579 9.443 -3.998 153 H LYS 44 H LYS 44 3.021 11.316 -0.887 154 HA LYS 44 HA LYS 44 5.008 9.519 0.227 155 HB2 LYS 44 2HB LYS 44 2.926 11.290 1.509 156 HB3 LYS 44 1HB LYS 44 4.035 10.271 2.418 157 HG2 LYS 44 2HG LYS 44 5.688 11.701 0.723 158 HG3 LYS 44 1HG LYS 44 4.457 12.869 1.225 159 HD2 LYS 44 2HD LYS 44 5.778 13.142 3.018 160 HD3 LYS 44 1HD LYS 44 5.005 11.669 3.594 161 HE2 LYS 44 2HE LYS 44 6.822 10.338 3.022 162 HE3 LYS 44 1HE LYS 44 7.459 11.529 1.875 163 HZ1 LYS 44 3HZ LYS 44 8.869 11.884 3.591 164 HZ2 LYS 44 1HZ LYS 44 7.764 11.395 4.780 165 HZ3 LYS 44 2HZ LYS 44 7.643 12.938 4.087 166 H ASN 45 H ASN 45 1.600 9.559 -0.469 167 HA ASN 45 HA ASN 45 0.640 7.601 1.221 168 HB2 ASN 45 2HB ASN 45 -0.120 8.490 -1.537 169 HB3 ASN 45 1HB ASN 45 -0.904 7.080 -0.836 170 HD21 ASN 45 1HD2 ASN 45 -2.609 7.407 0.404 171 HD22 ASN 45 2HD2 ASN 45 -3.081 8.912 1.097 172 H MET 46 H MET 46 2.257 7.208 -1.912 173 HA MET 46 HA MET 46 1.951 4.487 -2.250 174 HB2 MET 46 2HB MET 46 3.828 4.553 -3.719 175 HB3 MET 46 1HB MET 46 2.973 6.087 -3.891 176 HG2 MET 46 2HG MET 46 4.627 7.092 -2.320 177 HG3 MET 46 1HG MET 46 5.525 5.577 -2.388 178 HE1 MET 46 3HE MET 46 7.937 6.086 -4.740 179 HE2 MET 46 1HE MET 46 7.465 6.025 -3.046 180 HE3 MET 46 2HE MET 46 7.849 7.575 -3.794 181 H LYS 47 H LYS 47 4.476 6.206 -0.464 182 HA LYS 47 HA LYS 47 5.959 3.953 0.311 183 HB2 LYS 47 2HB LYS 47 5.612 6.523 1.874 184 HB3 LYS 47 1HB LYS 47 6.944 5.384 2.010 185 HG2 LYS 47 2HG LYS 47 7.357 5.892 -0.480 186 HG3 LYS 47 1HG LYS 47 6.333 7.303 -0.206 187 HD2 LYS 47 2HD LYS 47 8.504 8.089 0.151 188 HD3 LYS 47 1HD LYS 47 7.873 7.807 1.766 189 HE2 LYS 47 2HE LYS 47 9.349 6.168 2.190 190 HE3 LYS 47 1HE LYS 47 9.203 5.487 0.570 191 HZ1 LYS 47 3HZ LYS 47 10.718 7.977 1.154 192 HZ2 LYS 47 1HZ LYS 47 10.745 7.045 -0.264 193 HZ3 LYS 47 2HZ LYS 47 11.428 6.438 1.157 194 H ASN 48 H ASN 48 3.017 5.349 1.535 195 HA ASN 48 HA ASN 48 3.017 3.963 4.034 196 HB2 ASN 48 2HB ASN 48 1.558 6.035 2.985 197 HB3 ASN 48 1HB ASN 48 0.397 4.716 2.932 198 HD21 ASN 48 1HD2 ASN 48 2.439 6.647 5.001 199 HD22 ASN 48 2HD2 ASN 48 1.615 6.289 6.477 200 H VAL 49 H VAL 49 1.828 3.297 0.804 201 HA VAL 49 HA VAL 49 0.198 1.082 1.461 202 HB VAL 49 HB VAL 49 1.632 1.371 -1.167 203 HG11 VAL 49 1HG1 VAL 49 -0.941 0.136 -0.243 204 HG12 VAL 49 2HG1 VAL 49 0.397 -0.612 -1.116 205 HG13 VAL 49 3HG1 VAL 49 -0.663 0.531 -1.939 206 HG21 VAL 49 3HG2 VAL 49 0.823 3.550 -0.897 207 HG22 VAL 49 1HG2 VAL 49 -0.651 3.001 -0.098 208 HG23 VAL 49 2HG2 VAL 49 -0.434 2.738 -1.827 209 H ILE 50 H ILE 50 3.528 1.281 0.211 210 HA ILE 50 HA ILE 50 4.064 -1.465 0.206 211 HB ILE 50 HB ILE 50 5.514 0.163 -0.914 212 HG12 ILE 50 2HG1 ILE 50 7.453 -0.951 0.994 213 HG13 ILE 50 1HG1 ILE 50 6.297 -2.124 0.378 214 HG21 ILE 50 1HG2 ILE 50 6.104 1.044 1.890 215 HG22 ILE 50 2HG2 ILE 50 5.554 2.015 0.525 216 HG23 ILE 50 3HG2 ILE 50 7.199 1.381 0.549 217 HD11 ILE 50 3HD1 ILE 50 6.998 -1.805 -1.832 218 HD12 ILE 50 1HD1 ILE 50 8.481 -1.872 -0.879 219 HD13 ILE 50 2HD1 ILE 50 7.858 -0.317 -1.432 220 H ASN 51 H ASN 51 4.077 0.891 2.777 221 HA ASN 51 HA ASN 51 5.522 -0.674 4.667 222 HB2 ASN 51 2HB ASN 51 4.688 1.930 4.569 223 HB3 ASN 51 1HB ASN 51 3.564 1.243 5.738 224 HD21 ASN 51 1HD2 ASN 51 6.580 2.581 5.290 225 HD22 ASN 51 2HD2 ASN 51 7.301 2.134 6.797 226 H ASN 52 H ASN 52 2.061 -0.076 4.112 227 HA ASN 52 HA ASN 52 1.209 -1.838 6.191 228 HB2 ASN 52 2HB ASN 52 -0.165 -0.403 3.941 229 HB3 ASN 52 1HB ASN 52 -1.028 -1.631 4.863 230 HD21 ASN 52 1HD2 ASN 52 -2.380 -0.572 6.130 231 HD22 ASN 52 2HD2 ASN 52 -1.967 0.736 7.172 232 H ALA 53 H ALA 53 1.773 -2.125 2.744 233 HA ALA 53 HA ALA 53 0.560 -4.649 2.372 234 HB1 ALA 53 1HB ALA 53 1.667 -4.710 0.265 235 HB2 ALA 53 2HB ALA 53 2.882 -3.549 0.799 236 HB3 ALA 53 3HB ALA 53 1.212 -3.033 0.564 237 H LYS 54 H LYS 54 3.672 -3.650 3.586 238 HA LYS 54 HA LYS 54 4.887 -6.243 3.385 239 HB2 LYS 54 2HB LYS 54 5.767 -3.622 3.918 240 HB3 LYS 54 1HB LYS 54 6.132 -4.556 5.359 241 HG2 LYS 54 2HG LYS 54 7.858 -5.534 4.377 242 HG3 LYS 54 1HG LYS 54 6.866 -6.027 3.004 243 HD2 LYS 54 2HD LYS 54 8.332 -4.658 1.919 244 HD3 LYS 54 1HD LYS 54 7.124 -3.458 2.383 245 HE2 LYS 54 2HE LYS 54 9.264 -2.574 2.923 246 HE3 LYS 54 1HE LYS 54 8.476 -3.018 4.437 247 HZ1 LYS 54 3HZ LYS 54 10.454 -3.997 4.810 248 HZ2 LYS 54 1HZ LYS 54 10.833 -4.153 3.170 249 HZ3 LYS 54 2HZ LYS 54 9.787 -5.260 3.905 250 H LYS 55 H LYS 55 3.384 -4.333 5.957 251 HA LYS 55 HA LYS 55 3.895 -6.074 8.087 252 HB2 LYS 55 2HB LYS 55 1.816 -3.984 7.553 253 HB3 LYS 55 1HB LYS 55 1.662 -5.011 8.971 254 HG2 LYS 55 2HG LYS 55 4.316 -3.822 8.616 255 HG3 LYS 55 1HG LYS 55 3.016 -2.659 8.888 256 HD2 LYS 55 2HD LYS 55 2.334 -3.967 10.882 257 HD3 LYS 55 1HD LYS 55 3.734 -5.011 10.637 258 HE2 LYS 55 2HE LYS 55 4.323 -2.133 10.689 259 HE3 LYS 55 1HE LYS 55 3.725 -2.797 12.210 260 HZ1 LYS 55 3HZ LYS 55 5.792 -4.340 10.869 261 HZ2 LYS 55 1HZ LYS 55 5.583 -4.003 12.516 262 HZ3 LYS 55 2HZ LYS 55 6.282 -2.843 11.503 263 H ASN 56 H ASN 56 1.388 -6.074 5.637 264 HA ASN 56 HA ASN 56 -0.214 -8.096 6.847 265 HB2 ASN 56 2HB ASN 56 -0.093 -7.343 3.919 266 HB3 ASN 56 1HB ASN 56 -1.421 -8.152 4.756 267 HD21 ASN 56 1HD2 ASN 56 -1.476 -5.701 3.232 268 HD22 ASN 56 2HD2 ASN 56 -2.023 -4.464 4.306 269 H LEU 57 H LEU 57 2.107 -8.130 4.147 270 HA LEU 57 HA LEU 57 2.017 -10.822 3.522 271 HB2 LEU 57 2HB LEU 57 4.197 -8.769 3.376 272 HB3 LEU 57 1HB LEU 57 4.522 -10.439 2.929 273 HG LEU 57 HG LEU 57 2.148 -9.240 1.650 274 HD11 LEU 57 1HD1 LEU 57 4.232 -7.544 1.801 275 HD12 LEU 57 2HD1 LEU 57 3.129 -7.623 0.426 276 HD13 LEU 57 3HD1 LEU 57 4.680 -8.461 0.362 277 HD21 LEU 57 3HD2 LEU 57 4.483 -10.636 0.383 278 HD22 LEU 57 1HD2 LEU 57 2.812 -10.546 -0.176 279 HD23 LEU 57 2HD2 LEU 57 3.219 -11.522 1.236 280 H GLU 58 H GLU 58 4.371 -9.246 5.686 281 HA GLU 58 HA GLU 58 5.522 -11.620 6.635 282 HB2 GLU 58 2HB GLU 58 5.387 -8.825 7.740 283 HB3 GLU 58 1HB GLU 58 6.195 -10.116 8.618 284 HG2 GLU 58 2HG GLU 58 7.036 -9.987 5.849 285 HG3 GLU 58 1HG GLU 58 7.312 -8.471 6.705 286 H LYS 59 H LYS 59 2.610 -9.944 7.525 287 HA LYS 59 HA LYS 59 2.206 -10.992 10.088 288 HB2 LYS 59 2HB LYS 59 0.650 -9.567 8.112 289 HB3 LYS 59 1HB LYS 59 -0.330 -10.800 8.891 290 HG2 LYS 59 2HG LYS 59 1.304 -9.182 10.714 291 HG3 LYS 59 1HG LYS 59 0.047 -8.300 9.847 292 HD2 LYS 59 2HD LYS 59 -0.845 -10.865 10.932 293 HD3 LYS 59 1HD LYS 59 -0.314 -9.719 12.164 294 HE2 LYS 59 2HE LYS 59 -2.631 -9.346 11.861 295 HE3 LYS 59 1HE LYS 59 -1.803 -8.016 11.053 296 HZ1 LYS 59 3HZ LYS 59 -3.200 -8.568 9.395 297 HZ2 LYS 59 1HZ LYS 59 -3.401 -10.163 9.923 298 HZ3 LYS 59 2HZ LYS 59 -2.023 -9.730 9.043 299 H TYR 60 H TYR 60 1.596 -12.336 6.899 300 HA TYR 60 HA TYR 60 0.194 -14.640 7.903 301 HB2 TYR 60 2HB TYR 60 1.463 -14.512 5.183 302 HB3 TYR 60 1HB TYR 60 -0.021 -15.329 5.678 303 HD1 TYR 60 1HD TYR 60 -1.913 -13.674 6.560 304 HD2 TYR 60 2HD TYR 60 1.272 -12.573 3.966 305 HE1 TYR 60 1HE TYR 60 -3.235 -11.761 5.761 306 HE2 TYR 60 2HE TYR 60 -0.040 -10.654 3.158 307 HH TYR 60 HH TYR 60 -2.358 -9.941 3.011 308 H PHE 61 H PHE 61 3.464 -13.854 6.882 309 HA PHE 61 HA PHE 61 4.421 -16.552 7.075 310 HB2 PHE 61 2HB PHE 61 5.355 -14.473 5.721 311 HB3 PHE 61 1HB PHE 61 6.278 -14.214 7.204 312 HD1 PHE 61 1HD PHE 61 5.390 -17.022 4.905 313 HD2 PHE 61 2HD PHE 61 8.366 -15.143 7.298 314 HE1 PHE 61 1HE PHE 61 7.037 -18.694 4.165 315 HE2 PHE 61 2HE PHE 61 10.018 -16.812 6.561 316 HZ PHE 61 HZ PHE 61 9.354 -18.591 4.992 317 H LYS 62 H LYS 62 3.899 -13.980 9.286 318 HA LYS 62 HA LYS 62 5.779 -14.996 11.250 319 HB2 LYS 62 2HB LYS 62 3.941 -12.640 11.092 320 HB3 LYS 62 1HB LYS 62 4.538 -13.162 12.661 321 HG2 LYS 62 2HG LYS 62 6.858 -12.993 11.710 322 HG3 LYS 62 1HG LYS 62 6.141 -12.209 10.305 323 HD2 LYS 62 2HD LYS 62 6.898 -10.500 11.792 324 HD3 LYS 62 1HD LYS 62 5.135 -10.521 11.837 325 HE2 LYS 62 2HE LYS 62 5.066 -11.407 13.962 326 HE3 LYS 62 1HE LYS 62 6.664 -12.139 13.824 327 HZ1 LYS 62 3HZ LYS 62 7.291 -9.561 13.651 328 HZ2 LYS 62 1HZ LYS 62 7.236 -10.407 15.116 329 HZ3 LYS 62 2HZ LYS 62 5.922 -9.453 14.639 330 H GLU 63 H GLU 63 2.357 -15.073 10.559 331 HA GLU 63 HA GLU 63 1.810 -16.422 13.094 332 HB2 GLU 63 2HB GLU 63 0.305 -14.720 11.325 333 HB3 GLU 63 1HB GLU 63 -0.563 -16.232 11.591 334 HG2 GLU 63 2HG GLU 63 -1.359 -15.161 13.388 335 HG3 GLU 63 1HG GLU 63 0.171 -15.647 14.116 336 H HIS 64 H HIS 64 1.195 -16.944 9.611 337 HA HIS 64 HA HIS 64 0.767 -19.781 10.199 338 HB2 HIS 64 2HB HIS 64 0.098 -18.172 7.733 339 HB3 HIS 64 1HB HIS 64 -0.207 -19.897 7.915 340 HD1 HIS 64 1HD HIS 64 -2.165 -17.152 7.779 341 HD2 HIS 64 2HD HIS 64 -1.651 -19.953 10.804 342 HE1 HIS 64 1HE HIS 64 -4.248 -17.017 9.180 343 HE2 HIS 64 2HE HIS 64 -3.875 -18.656 11.056 344 H PHE 65 H PHE 65 3.363 -18.092 9.636 345 HA PHE 65 HA PHE 65 5.370 -18.389 8.571 346 HB2 PHE 65 2HB PHE 65 4.834 -20.558 10.061 347 HB3 PHE 65 1HB PHE 65 4.976 -21.327 8.478 348 HD1 PHE 65 1HD PHE 65 6.787 -18.736 10.470 349 HD2 PHE 65 2HD PHE 65 7.039 -22.158 7.954 350 HE1 PHE 65 1HE PHE 65 9.238 -18.706 10.682 351 HE2 PHE 65 2HE PHE 65 9.491 -22.135 8.163 352 HZ PHE 65 HZ PHE 65 10.593 -20.409 9.529 353 H LYS 66 H LYS 66 3.027 -18.130 6.818 354 HA LYS 66 HA LYS 66 4.301 -19.044 4.381 355 HB2 LYS 66 2HB LYS 66 1.621 -20.042 5.304 356 HB3 LYS 66 1HB LYS 66 1.994 -19.924 3.591 357 HG2 LYS 66 2HG LYS 66 2.850 -21.963 3.751 358 HG3 LYS 66 1HG LYS 66 4.182 -21.241 4.654 359 HD2 LYS 66 2HD LYS 66 3.466 -22.078 6.620 360 HD3 LYS 66 1HD LYS 66 1.768 -21.795 6.237 361 HE2 LYS 66 2HE LYS 66 3.260 -23.948 4.805 362 HE3 LYS 66 1HE LYS 66 2.695 -24.233 6.451 363 HZ1 LYS 66 3HZ LYS 66 0.994 -24.989 5.052 364 HZ2 LYS 66 1HZ LYS 66 1.079 -23.631 4.046 365 HZ3 LYS 66 2HZ LYS 66 0.449 -23.487 5.609 366 H GLU 67 H GLU 67 3.559 -17.960 2.504 367 HA GLU 67 HA GLU 67 2.425 -15.351 3.086 368 HB2 GLU 67 2HB GLU 67 4.268 -16.393 1.187 369 HB3 GLU 67 1HB GLU 67 2.912 -15.720 0.292 370 HG2 GLU 67 2HG GLU 67 4.493 -13.992 0.517 371 HG3 GLU 67 1HG GLU 67 3.191 -13.626 1.650 372 H PHE 68 H PHE 68 1.878 -17.431 0.260 373 HA PHE 68 HA PHE 68 -0.004 -17.932 -0.915 374 HB2 PHE 68 2HB PHE 68 -0.565 -18.457 1.867 375 HB3 PHE 68 1HB PHE 68 -2.036 -17.964 1.034 376 HD1 PHE 68 2HD PHE 68 -2.715 -19.216 -1.048 377 HD2 PHE 68 1HD PHE 68 0.314 -20.605 1.599 378 HE1 PHE 68 2HE PHE 68 -2.948 -21.483 -1.977 379 HE2 PHE 68 1HE PHE 68 0.087 -22.874 0.675 380 HZ PHE 68 HZ PHE 68 -1.547 -23.315 -1.114 381 H ASP 69 H ASP 69 0.663 -15.110 -0.489 382 HA ASP 69 HA ASP 69 -1.593 -13.936 -1.679 383 HB2 ASP 69 2HB ASP 69 -1.617 -13.979 1.217 384 HB3 ASP 69 1HB ASP 69 -1.597 -12.324 0.613 385 H LYS 70 H LYS 70 -1.050 -12.051 -2.649 386 HA LYS 70 HA LYS 70 1.473 -10.773 -1.828 387 HB2 LYS 70 2HB LYS 70 0.680 -11.874 -4.447 388 HB3 LYS 70 1HB LYS 70 1.393 -10.267 -4.506 389 HG2 LYS 70 2HG LYS 70 3.331 -11.141 -3.222 390 HG3 LYS 70 1HG LYS 70 2.628 -12.755 -3.349 391 HD2 LYS 70 2HD LYS 70 4.063 -12.763 -5.145 392 HD3 LYS 70 1HD LYS 70 2.576 -12.197 -5.909 393 HE2 LYS 70 2HE LYS 70 4.336 -10.121 -4.759 394 HE3 LYS 70 1HE LYS 70 4.947 -10.964 -6.183 395 HZ1 LYS 70 3HZ LYS 70 2.464 -9.371 -5.932 396 HZ2 LYS 70 1HZ LYS 70 2.729 -10.430 -7.226 397 HZ3 LYS 70 2HZ LYS 70 3.767 -9.118 -6.980 398 H ILE 71 H ILE 71 1.680 -8.511 -2.589 399 HA ILE 71 HA ILE 71 -0.889 -7.201 -3.101 400 HB ILE 71 HB ILE 71 0.994 -6.154 -0.998 401 HG12 ILE 71 2HG1 ILE 71 -1.606 -7.610 -0.548 402 HG13 ILE 71 1HG1 ILE 71 -0.032 -8.384 -0.416 403 HG21 ILE 71 1HG2 ILE 71 -1.903 -5.500 -1.481 404 HG22 ILE 71 2HG2 ILE 71 -0.579 -4.601 -2.221 405 HG23 ILE 71 3HG2 ILE 71 -0.749 -4.635 -0.467 406 HD11 ILE 71 3HD1 ILE 71 -0.532 -7.858 1.773 407 HD12 ILE 71 1HD1 ILE 71 -1.273 -6.316 1.342 408 HD13 ILE 71 2HD1 ILE 71 0.479 -6.500 1.278 409 H SER 72 H SER 72 -0.792 -5.304 -4.208 410 HA SER 72 HA SER 72 1.842 -4.284 -4.988 411 HB2 SER 72 2HB SER 72 0.463 -5.943 -6.652 412 HB3 SER 72 1HB SER 72 -0.139 -4.369 -7.171 413 HG SER 72 HG SER 72 1.740 -3.937 -8.009 414 H TYR 73 H TYR 73 1.838 -2.100 -5.712 415 HA TYR 73 HA TYR 73 -0.668 -0.628 -5.457 416 HB2 TYR 73 2HB TYR 73 0.257 0.983 -3.893 417 HB3 TYR 73 1HB TYR 73 0.356 -0.633 -3.206 418 HD1 TYR 73 1HD TYR 73 2.641 -1.870 -3.571 419 HD2 TYR 73 2HD TYR 73 2.120 2.340 -3.844 420 HE1 TYR 73 1HE TYR 73 5.049 -1.556 -3.186 421 HE2 TYR 73 2HE TYR 73 4.531 2.670 -3.464 422 HH TYR 73 HH TYR 73 6.673 1.194 -3.844 423 H ASP 74 H ASP 74 -0.717 1.338 -6.539 424 HA ASP 74 HA ASP 74 1.600 2.474 -7.753 425 HB2 ASP 74 2HB ASP 74 0.959 0.399 -9.176 426 HB3 ASP 74 1HB ASP 74 -0.395 1.385 -9.723 427 H ILE 75 H ILE 75 0.942 4.281 -9.296 428 HA ILE 75 HA ILE 75 -1.672 5.396 -8.553 429 HB ILE 75 HB ILE 75 -0.553 7.666 -8.537 430 HG12 ILE 75 2HG1 ILE 75 1.988 6.230 -7.876 431 HG13 ILE 75 1HG1 ILE 75 1.595 6.520 -9.568 432 HG21 ILE 75 1HG2 ILE 75 0.088 7.493 -6.218 433 HG22 ILE 75 2HG2 ILE 75 0.284 5.748 -6.372 434 HG23 ILE 75 3HG2 ILE 75 -1.317 6.474 -6.519 435 HD11 ILE 75 3HD1 ILE 75 3.058 8.220 -8.369 436 HD12 ILE 75 1HD1 ILE 75 1.583 8.735 -7.553 437 HD13 ILE 75 2HD1 ILE 75 1.700 8.833 -9.312 438 H SER 76 H SER 76 -2.319 7.239 -9.978 439 HA SER 76 HA SER 76 -1.109 7.624 -12.508 440 HB2 SER 76 2HB SER 76 -2.956 5.373 -12.256 441 HB3 SER 76 1HB SER 76 -3.451 6.520 -13.502 442 HG SER 76 HG SER 76 -2.053 5.337 -14.603 443 H THR 77 H THR 77 -3.139 8.397 -14.089 444 HA THR 77 HA THR 77 -4.607 10.073 -14.500 445 HB THR 77 HB THR 77 -5.622 10.268 -11.736 446 HG1 THR 77 1HG THR 77 -5.858 7.859 -13.212 447 HG21 THR 77 3HG2 THR 77 -7.015 11.252 -13.311 448 HG22 THR 77 1HG2 THR 77 -7.774 9.694 -12.975 449 HG23 THR 77 2HG2 THR 77 -6.823 9.918 -14.451 450 HA PRO 78 HA PRO 78 -2.372 13.670 -13.210 451 HB2 PRO 78 2HB PRO 78 -3.944 15.595 -14.283 452 HB3 PRO 78 1HB PRO 78 -2.933 14.536 -15.269 453 HG2 PRO 78 2HG PRO 78 -5.857 14.346 -14.693 454 HG3 PRO 78 1HG PRO 78 -5.010 14.129 -16.230 455 HD2 PRO 78 2HD PRO 78 -5.833 12.052 -14.699 456 HD3 PRO 78 1HD PRO 78 -4.388 11.970 -15.731 457 H ILE 79 H ILE 79 -5.464 12.878 -12.038 458 HA ILE 79 HA ILE 79 -5.648 15.254 -10.349 459 HB ILE 79 HB ILE 79 -7.822 14.369 -9.629 460 HG12 ILE 79 2HG1 ILE 79 -7.232 12.095 -11.545 461 HG13 ILE 79 1HG1 ILE 79 -7.278 11.966 -9.787 462 HG21 ILE 79 1HG2 ILE 79 -7.149 14.866 -12.464 463 HG22 ILE 79 2HG2 ILE 79 -8.264 15.714 -11.390 464 HG23 ILE 79 3HG2 ILE 79 -8.750 14.193 -12.138 465 HD11 ILE 79 3HD1 ILE 79 -9.698 13.066 -11.062 466 HD12 ILE 79 1HD1 ILE 79 -9.525 11.944 -9.716 467 HD13 ILE 79 2HD1 ILE 79 -9.347 11.367 -11.373 468 H ASN 80 H ASN 80 -3.583 13.083 -10.038 469 HA ASN 80 HA ASN 80 -2.546 11.921 -8.381 470 HB2 ASN 80 2HB ASN 80 -3.403 14.332 -7.305 471 HB3 ASN 80 1HB ASN 80 -3.938 13.144 -6.126 472 HD21 ASN 80 1HD2 ASN 80 -1.875 11.262 -6.496 473 HD22 ASN 80 2HD2 ASN 80 -0.411 11.951 -5.892 474 H PHE 81 H PHE 81 -4.550 10.477 -9.430 475 HA PHE 81 HA PHE 81 -6.293 9.498 -7.317 476 HB2 PHE 81 2HB PHE 81 -7.180 9.687 -9.590 477 HB3 PHE 81 1HB PHE 81 -5.939 8.592 -10.184 478 HD1 PHE 81 2HD PHE 81 -5.911 6.210 -9.258 479 HD2 PHE 81 1HD PHE 81 -9.208 8.860 -8.827 480 HE1 PHE 81 2HE PHE 81 -7.382 4.292 -8.828 481 HE2 PHE 81 1HE PHE 81 -10.691 6.945 -8.391 482 HZ PHE 81 HZ PHE 81 -9.784 4.662 -8.393 483 H LEU 82 H LEU 82 -5.939 7.740 -6.106 484 HA LEU 82 HA LEU 82 -3.484 6.224 -6.601 485 HB2 LEU 82 2HB LEU 82 -4.687 7.280 -4.265 486 HB3 LEU 82 1HB LEU 82 -4.700 5.537 -4.120 487 HG LEU 82 HG LEU 82 -2.215 5.618 -4.680 488 HD11 LEU 82 1HD1 LEU 82 -2.479 8.050 -5.475 489 HD12 LEU 82 2HD1 LEU 82 -1.043 7.608 -4.566 490 HD13 LEU 82 3HD1 LEU 82 -2.357 8.454 -3.763 491 HD21 LEU 82 3HD2 LEU 82 -2.943 7.022 -2.125 492 HD22 LEU 82 1HD2 LEU 82 -1.621 5.892 -2.419 493 HD23 LEU 82 2HD2 LEU 82 -3.287 5.314 -2.397 494 H CYS 83 H CYS 83 -3.493 4.133 -7.125 495 HA CYS 83 HA CYS 83 -5.997 2.620 -6.843 496 HB2 CYS 83 2HB CYS 83 -5.412 3.524 -9.232 497 HB3 CYS 83 1HB CYS 83 -4.252 2.201 -9.236 498 HG CYS 83 HG CYS 83 -6.857 1.015 -8.546 499 H ILE 84 H ILE 84 -5.593 0.989 -5.503 500 HA ILE 84 HA ILE 84 -2.904 -0.171 -5.446 501 HB ILE 84 HB ILE 84 -4.999 0.230 -3.428 502 HG12 ILE 84 2HG1 ILE 84 -3.226 0.746 -2.064 503 HG13 ILE 84 1HG1 ILE 84 -2.185 -0.488 -2.763 504 HG21 ILE 84 1HG2 ILE 84 -5.307 -2.115 -3.455 505 HG22 ILE 84 2HG2 ILE 84 -4.249 -1.773 -2.086 506 HG23 ILE 84 3HG2 ILE 84 -3.575 -2.414 -3.584 507 HD11 ILE 84 3HD1 ILE 84 -1.620 1.975 -3.166 508 HD12 ILE 84 1HD1 ILE 84 -2.950 1.939 -4.324 509 HD13 ILE 84 2HD1 ILE 84 -1.570 0.864 -4.536 510 H PHE 85 H PHE 85 -2.538 -1.953 -6.533 511 HA PHE 85 HA PHE 85 -4.795 -3.731 -7.134 512 HB2 PHE 85 2HB PHE 85 -2.105 -3.333 -8.439 513 HB3 PHE 85 1HB PHE 85 -3.106 -4.739 -8.784 514 HD1 PHE 85 2HD PHE 85 -5.788 -3.632 -8.889 515 HD2 PHE 85 1HD PHE 85 -2.128 -2.025 -10.329 516 HE1 PHE 85 2HE PHE 85 -7.026 -2.337 -10.576 517 HE2 PHE 85 1HE PHE 85 -3.354 -0.724 -12.022 518 HZ PHE 85 HZ PHE 85 -5.813 -0.883 -12.141 519 H ILE 86 H ILE 86 -4.818 -4.678 -5.073 520 HA ILE 86 HA ILE 86 -2.465 -6.172 -4.214 521 HB ILE 86 HB ILE 86 -3.519 -4.992 -2.451 522 HG12 ILE 86 2HG1 ILE 86 -4.540 -7.811 -2.108 523 HG13 ILE 86 1HG1 ILE 86 -2.825 -7.416 -2.044 524 HG21 ILE 86 1HG2 ILE 86 -6.067 -6.169 -3.499 525 HG22 ILE 86 2HG2 ILE 86 -5.651 -4.477 -3.239 526 HG23 ILE 86 3HG2 ILE 86 -5.945 -5.535 -1.859 527 HD11 ILE 86 3HD1 ILE 86 -4.239 -7.568 0.138 528 HD12 ILE 86 1HD1 ILE 86 -4.722 -5.928 -0.299 529 HD13 ILE 86 2HD1 ILE 86 -3.018 -6.308 -0.048 530 HA PRO 87 HA PRO 87 -4.406 -9.736 -6.259 531 HB2 PRO 87 2HB PRO 87 -1.826 -11.035 -5.993 532 HB3 PRO 87 1HB PRO 87 -2.661 -10.526 -7.464 533 HG2 PRO 87 2HG PRO 87 -0.379 -9.347 -6.553 534 HG3 PRO 87 1HG PRO 87 -1.599 -8.497 -7.517 535 HD2 PRO 87 2HD PRO 87 -1.142 -8.440 -4.561 536 HD3 PRO 87 1HD PRO 87 -1.547 -7.111 -5.661 537 H THR 88 H THR 88 -5.688 -10.789 -4.845 538 HA THR 88 HA THR 88 -4.433 -12.617 -2.967 539 HB THR 88 HB THR 88 -6.237 -10.349 -2.145 540 HG1 THR 88 1HG THR 88 -3.734 -11.336 -1.277 541 HG21 THR 88 3HG2 THR 88 -7.325 -11.983 -0.946 542 HG22 THR 88 1HG2 THR 88 -6.051 -11.498 0.173 543 HG23 THR 88 2HG2 THR 88 -5.876 -12.974 -0.777 544 H LEU 89 H LEU 89 -5.602 -14.442 -2.586 545 HA LEU 89 HA LEU 89 -7.687 -15.074 -4.408 546 HB2 LEU 89 2HB LEU 89 -6.139 -16.469 -2.335 547 HB3 LEU 89 1HB LEU 89 -7.761 -17.092 -2.573 548 HG LEU 89 HG LEU 89 -6.118 -18.313 -3.913 549 HD11 LEU 89 1HD1 LEU 89 -8.549 -17.606 -4.686 550 HD12 LEU 89 2HD1 LEU 89 -7.467 -18.525 -5.733 551 HD13 LEU 89 3HD1 LEU 89 -7.637 -16.782 -5.951 552 HD21 LEU 89 3HD2 LEU 89 -5.250 -16.963 -5.962 553 HD22 LEU 89 1HD2 LEU 89 -4.395 -16.865 -4.422 554 HD23 LEU 89 2HD2 LEU 89 -5.488 -15.569 -4.908 555 H PHE 90 H PHE 90 -7.636 -13.951 -1.118 556 HA PHE 90 HA PHE 90 -9.292 -13.160 0.217 557 HB2 PHE 90 2HB PHE 90 -10.389 -12.310 -1.825 558 HB3 PHE 90 1HB PHE 90 -11.178 -13.867 -2.042 559 HD1 PHE 90 2HD PHE 90 -12.860 -14.632 -0.376 560 HD2 PHE 90 1HD PHE 90 -11.247 -10.694 -0.338 561 HE1 PHE 90 2HE PHE 90 -14.730 -13.884 1.037 562 HE2 PHE 90 1HE PHE 90 -13.114 -9.938 1.075 563 HZ PHE 90 HZ PHE 90 -14.860 -11.534 1.762 564 H ASP 91 H ASP 91 -10.494 -14.015 1.829 565 HA ASP 91 HA ASP 91 -11.658 -15.554 3.070 566 HB2 ASP 91 2HB ASP 91 -12.580 -16.284 0.733 567 HB3 ASP 91 1HB ASP 91 -11.459 -17.634 0.918 568 H MET 92 H MET 92 -8.584 -15.671 2.003 569 HA MET 92 HA MET 92 -7.809 -18.229 3.092 570 HB2 MET 92 2HB MET 92 -6.587 -16.158 1.482 571 HB3 MET 92 1HB MET 92 -5.519 -16.626 2.807 572 HG2 MET 92 2HG MET 92 -5.106 -17.907 0.761 573 HG3 MET 92 1HG MET 92 -5.599 -18.931 2.109 574 HE1 MET 92 3HE MET 92 -7.805 -21.171 0.476 575 HE2 MET 92 1HE MET 92 -6.341 -20.814 1.393 576 HE3 MET 92 2HE MET 92 -6.283 -20.882 -0.368 577 H ASN 93 H ASN 93 -7.944 -14.897 4.120 578 HA ASN 93 HA ASN 93 -6.652 -15.593 6.662 579 HB2 ASN 93 2HB ASN 93 -6.887 -13.116 5.072 580 HB3 ASN 93 1HB ASN 93 -7.037 -12.907 6.814 581 HD21 ASN 93 1HD2 ASN 93 -5.240 -12.749 7.953 582 HD22 ASN 93 2HD2 ASN 93 -3.655 -13.165 7.403 583 H ASN 94 H ASN 94 -9.667 -15.611 5.426 584 HA ASN 94 HA ASN 94 -11.726 -15.754 6.383 585 HB2 ASN 94 2HB ASN 94 -10.056 -16.415 8.453 586 HB3 ASN 94 1HB ASN 94 -10.937 -15.049 9.127 587 HD21 ASN 94 1HD2 ASN 94 -10.932 -18.302 8.833 588 HD22 ASN 94 2HD2 ASN 94 -12.614 -18.624 9.059 589 H MET 95 H MET 95 -11.522 -13.578 5.099 590 HA MET 95 HA MET 95 -12.223 -11.429 4.859 591 HB2 MET 95 2HB MET 95 -13.546 -11.862 7.542 592 HB3 MET 95 1HB MET 95 -13.963 -10.634 6.356 593 HG2 MET 95 2HG MET 95 -14.931 -12.169 4.915 594 HG3 MET 95 1HG MET 95 -14.090 -13.534 5.650 595 HE1 MET 95 3HE MET 95 -17.423 -11.267 5.896 596 HE2 MET 95 1HE MET 95 -18.280 -12.787 6.151 597 HE3 MET 95 2HE MET 95 -17.143 -12.630 4.812 598 H ASP 96 H ASP 96 -9.655 -11.754 5.893 599 HA ASP 96 HA ASP 96 -9.408 -9.282 7.446 600 HB2 ASP 96 2HB ASP 96 -9.122 -11.667 8.699 601 HB3 ASP 96 1HB ASP 96 -7.471 -11.406 8.145 602 H LEU 97 H LEU 97 -8.771 -8.292 5.493 603 HA LEU 97 HA LEU 97 -5.976 -8.368 4.999 604 HB2 LEU 97 2HB LEU 97 -7.472 -10.240 3.553 605 HB3 LEU 97 1HB LEU 97 -7.164 -8.935 2.423 606 HG LEU 97 HG LEU 97 -4.775 -9.701 3.909 607 HD11 LEU 97 1HD1 LEU 97 -4.443 -11.841 2.754 608 HD12 LEU 97 2HD1 LEU 97 -6.099 -11.764 2.154 609 HD13 LEU 97 3HD1 LEU 97 -5.795 -11.901 3.885 610 HD21 LEU 97 3HD2 LEU 97 -4.564 -8.307 2.011 611 HD22 LEU 97 1HD2 LEU 97 -5.534 -9.393 1.014 612 HD23 LEU 97 2HD2 LEU 97 -3.923 -9.880 1.538 613 H LEU 98 H LEU 98 -8.711 -7.736 2.809 614 HA LEU 98 HA LEU 98 -7.715 -5.186 2.061 615 HB2 LEU 98 2HB LEU 98 -9.731 -4.946 0.785 616 HB3 LEU 98 1HB LEU 98 -9.147 -6.591 0.616 617 HG LEU 98 HG LEU 98 -11.079 -6.295 2.788 618 HD11 LEU 98 1HD1 LEU 98 -12.906 -6.297 0.836 619 HD12 LEU 98 2HD1 LEU 98 -11.707 -5.230 0.105 620 HD13 LEU 98 3HD1 LEU 98 -12.398 -4.833 1.679 621 HD21 LEU 98 3HD2 LEU 98 -11.806 -8.356 2.062 622 HD22 LEU 98 1HD2 LEU 98 -10.119 -8.377 1.547 623 HD23 LEU 98 2HD2 LEU 98 -11.393 -8.028 0.378 624 H LYS 99 H LYS 99 -9.859 -6.292 4.563 625 HA LYS 99 HA LYS 99 -11.259 -3.948 5.127 626 HB2 LYS 99 2HB LYS 99 -11.476 -6.351 6.116 627 HB3 LYS 99 1HB LYS 99 -10.324 -5.777 7.313 628 HG2 LYS 99 2HG LYS 99 -12.027 -4.956 8.462 629 HG3 LYS 99 1HG LYS 99 -12.279 -3.789 7.163 630 HD2 LYS 99 2HD LYS 99 -14.348 -4.756 7.210 631 HD3 LYS 99 1HD LYS 99 -13.550 -5.833 6.063 632 HE2 LYS 99 2HE LYS 99 -14.302 -7.457 7.422 633 HE3 LYS 99 1HE LYS 99 -12.910 -7.022 8.412 634 HZ1 LYS 99 3HZ LYS 99 -15.679 -5.999 8.745 635 HZ2 LYS 99 1HZ LYS 99 -14.348 -5.522 9.674 636 HZ3 LYS 99 2HZ LYS 99 -14.902 -7.118 9.747 637 H GLN 100 H GLN 100 -7.995 -4.912 5.943 638 HA GLN 100 HA GLN 100 -7.600 -2.719 7.780 639 HB2 GLN 100 2HB GLN 100 -6.454 -5.041 7.821 640 HB3 GLN 100 1HB GLN 100 -5.396 -4.374 6.584 641 HG2 GLN 100 2HG GLN 100 -5.035 -2.447 8.260 642 HG3 GLN 100 1HG GLN 100 -5.686 -3.575 9.447 643 HE21 GLN 100 1HE2 GLN 100 -4.144 -4.526 10.547 644 HE22 GLN 100 2HE2 GLN 100 -2.616 -5.047 9.932 645 H ALA 101 H ALA 101 -6.824 -3.483 4.437 646 HA ALA 101 HA ALA 101 -5.146 -1.208 4.021 647 HB1 ALA 101 1HB ALA 101 -4.623 -2.685 2.405 648 HB2 ALA 101 2HB ALA 101 -5.929 -1.892 1.522 649 HB3 ALA 101 3HB ALA 101 -6.237 -3.398 2.388 650 H LEU 102 H LEU 102 -8.568 -1.887 3.632 651 HA LEU 102 HA LEU 102 -9.137 0.541 2.217 652 HB2 LEU 102 2HB LEU 102 -10.462 -1.831 2.596 653 HB3 LEU 102 1HB LEU 102 -11.365 -0.738 3.627 654 HG LEU 102 HG LEU 102 -10.786 0.010 0.783 655 HD11 LEU 102 1HD1 LEU 102 -12.848 -1.915 1.792 656 HD12 LEU 102 2HD1 LEU 102 -11.779 -2.058 0.396 657 HD13 LEU 102 3HD1 LEU 102 -13.137 -0.934 0.355 658 HD21 LEU 102 3HD2 LEU 102 -13.199 0.972 1.307 659 HD22 LEU 102 1HD2 LEU 102 -11.727 1.831 1.763 660 HD23 LEU 102 2HD2 LEU 102 -12.598 0.875 2.963 661 H LEU 103 H LEU 103 -9.181 -0.505 5.563 662 HA LEU 103 HA LEU 103 -10.557 1.814 6.531 663 HB2 LEU 103 2HB LEU 103 -9.304 -0.593 7.691 664 HB3 LEU 103 1HB LEU 103 -9.319 0.820 8.727 665 HG LEU 103 HG LEU 103 -11.251 -0.783 9.001 666 HD11 LEU 103 1HD1 LEU 103 -12.450 1.793 8.253 667 HD12 LEU 103 2HD1 LEU 103 -11.110 1.863 9.380 668 HD13 LEU 103 3HD1 LEU 103 -12.534 0.904 9.768 669 HD21 LEU 103 3HD2 LEU 103 -11.943 0.333 6.292 670 HD22 LEU 103 1HD2 LEU 103 -13.114 -0.443 7.357 671 HD23 LEU 103 2HD2 LEU 103 -11.739 -1.359 6.744 672 H ILE 104 H ILE 104 -7.234 0.975 5.914 673 HA ILE 104 HA ILE 104 -6.155 3.104 7.505 674 HB ILE 104 HB ILE 104 -4.868 1.048 7.115 675 HG12 ILE 104 2HG1 ILE 104 -2.775 2.370 6.092 676 HG13 ILE 104 1HG1 ILE 104 -3.829 3.745 6.415 677 HG21 ILE 104 1HG2 ILE 104 -4.771 2.001 4.262 678 HG22 ILE 104 2HG2 ILE 104 -5.535 0.533 4.870 679 HG23 ILE 104 3HG2 ILE 104 -3.781 0.701 4.925 680 HD11 ILE 104 3HD1 ILE 104 -3.198 1.690 8.505 681 HD12 ILE 104 1HD1 ILE 104 -3.873 3.305 8.719 682 HD13 ILE 104 2HD1 ILE 104 -2.191 3.110 8.228 683 H LEU 105 H LEU 105 -6.843 2.590 4.078 684 HA LEU 105 HA LEU 105 -5.626 5.016 3.210 685 HB2 LEU 105 2HB LEU 105 -6.778 4.617 1.090 686 HB3 LEU 105 1HB LEU 105 -5.965 3.172 1.665 687 HG LEU 105 HG LEU 105 -8.300 2.543 2.633 688 HD11 LEU 105 1HD1 LEU 105 -9.776 3.638 0.528 689 HD12 LEU 105 2HD1 LEU 105 -8.884 4.982 1.243 690 HD13 LEU 105 3HD1 LEU 105 -9.931 3.983 2.251 691 HD21 LEU 105 3HD2 LEU 105 -7.626 1.071 1.045 692 HD22 LEU 105 1HD2 LEU 105 -7.234 2.335 -0.119 693 HD23 LEU 105 2HD2 LEU 105 -8.913 1.857 0.130 694 H HIS 106 H HIS 106 -8.878 4.100 4.188 695 HA HIS 106 HA HIS 106 -10.111 6.537 3.414 696 HB2 HIS 106 2HB HIS 106 -10.992 4.070 4.317 697 HB3 HIS 106 1HB HIS 106 -11.415 5.161 5.632 698 HD1 HIS 106 1HD HIS 106 -13.222 6.941 5.159 699 HD2 HIS 106 2HD HIS 106 -12.404 4.464 1.926 700 HE1 HIS 106 1HE HIS 106 -15.073 7.355 3.509 701 HE2 HIS 106 2HE HIS 106 -14.499 5.914 1.521 702 H ASN 107 H ASN 107 -8.944 5.298 6.530 703 HA ASN 107 HA ASN 107 -9.679 7.513 8.076 704 HB2 ASN 107 2HB ASN 107 -8.681 5.127 8.698 705 HB3 ASN 107 1HB ASN 107 -7.193 6.054 8.783 706 HD21 ASN 107 1HD2 ASN 107 -10.415 5.681 10.075 707 HD22 ASN 107 2HD2 ASN 107 -10.131 6.532 11.556 708 H ASP 108 H ASP 108 -6.540 6.749 6.584 709 HA ASP 108 HA ASP 108 -5.151 9.004 7.385 710 HB2 ASP 108 2HB ASP 108 -4.557 6.825 5.861 711 HB3 ASP 108 1HB ASP 108 -4.554 8.101 4.648 712 H LEU 109 H LEU 109 -7.344 8.578 4.673 713 HA LEU 109 HA LEU 109 -6.803 11.095 3.464 714 HB2 LEU 109 2HB LEU 109 -8.467 8.825 2.951 715 HB3 LEU 109 1HB LEU 109 -9.427 10.276 2.807 716 HG LEU 109 HG LEU 109 -6.929 10.643 1.435 717 HD11 LEU 109 1HD1 LEU 109 -6.627 8.818 0.209 718 HD12 LEU 109 2HD1 LEU 109 -8.353 8.651 -0.111 719 HD13 LEU 109 3HD1 LEU 109 -7.661 7.990 1.373 720 HD21 LEU 109 3HD2 LEU 109 -9.341 11.662 1.207 721 HD22 LEU 109 1HD2 LEU 109 -9.534 10.353 0.046 722 HD23 LEU 109 2HD2 LEU 109 -8.261 11.547 -0.183 723 H HIS 110 H HIS 110 -9.283 9.926 5.702 724 HA HIS 110 HA HIS 110 -10.565 12.509 5.853 725 HB2 HIS 110 2HB HIS 110 -11.068 9.801 6.915 726 HB3 HIS 110 1HB HIS 110 -11.636 11.124 7.921 727 HD1 HIS 110 1HD HIS 110 -11.858 10.208 4.230 728 HD2 HIS 110 2HD HIS 110 -14.154 11.825 7.295 729 HE1 HIS 110 1HE HIS 110 -14.128 10.635 3.223 730 HE2 HIS 110 2HE HIS 110 -15.477 11.676 5.078 731 H GLU 111 H GLU 111 -7.816 11.180 7.246 732 HA GLU 111 HA GLU 111 -8.068 12.445 9.833 733 HB2 GLU 111 2HB GLU 111 -6.789 10.310 9.371 734 HB3 GLU 111 1HB GLU 111 -5.564 11.307 8.597 735 HG2 GLU 111 2HG GLU 111 -4.708 11.982 10.545 736 HG3 GLU 111 1HG GLU 111 -6.304 12.229 11.258 737 H TYR 112 H TYR 112 -7.598 13.727 6.861 738 HA TYR 112 HA TYR 112 -5.850 15.854 7.910 739 HB2 TYR 112 2HB TYR 112 -5.749 14.355 5.396 740 HB3 TYR 112 1HB TYR 112 -5.692 16.102 5.172 741 HD1 TYR 112 1HD TYR 112 -4.050 17.278 6.998 742 HD2 TYR 112 2HD TYR 112 -3.711 13.303 5.508 743 HE1 TYR 112 1HE TYR 112 -1.656 17.273 7.560 744 HE2 TYR 112 2HE TYR 112 -1.323 13.291 6.065 745 HH TYR 112 HH TYR 112 0.512 15.058 6.379 746 H VAL 113 H VAL 113 -8.682 15.040 6.030 747 HA VAL 113 HA VAL 113 -9.380 17.841 5.670 748 HB VAL 113 HB VAL 113 -9.715 16.331 3.777 749 HG11 VAL 113 1HG1 VAL 113 -11.774 14.934 5.478 750 HG12 VAL 113 2HG1 VAL 113 -10.171 14.300 5.123 751 HG13 VAL 113 3HG1 VAL 113 -11.326 14.541 3.814 752 HG21 VAL 113 3HG2 VAL 113 -12.519 16.875 4.472 753 HG22 VAL 113 1HG2 VAL 113 -11.572 17.391 3.077 754 HG23 VAL 113 2HG2 VAL 113 -11.423 18.252 4.613 755 H GLU 114 H GLU 114 -9.323 17.260 8.310 756 HA GLU 114 HA GLU 114 -12.001 16.565 9.204 757 HB2 GLU 114 2HB GLU 114 -9.378 17.081 10.554 758 HB3 GLU 114 1HB GLU 114 -10.859 17.203 11.493 759 HG2 GLU 114 2HG GLU 114 -11.380 14.936 11.165 760 HG3 GLU 114 1HG GLU 114 -10.224 14.772 9.845 Start of MODEL 10 1 H THR 26 H THR 26 -12.620 -12.366 -4.943 2 HA THR 26 HA THR 26 -10.407 -12.890 -3.195 3 HB THR 26 HB THR 26 -11.749 -14.721 -2.444 4 HG1 THR 26 1HG THR 26 -10.495 -16.487 -3.203 5 HG21 THR 26 3HG2 THR 26 -12.130 -15.529 -5.315 6 HG22 THR 26 1HG2 THR 26 -13.365 -14.813 -4.280 7 HG23 THR 26 2HG2 THR 26 -12.700 -16.400 -3.892 8 H SER 27 H SER 27 -8.809 -14.445 -4.403 9 HA SER 27 HA SER 27 -7.516 -14.892 -6.226 10 HB2 SER 27 2HB SER 27 -9.716 -13.938 -8.046 11 HB3 SER 27 1HB SER 27 -8.489 -15.169 -8.346 12 H LYS 28 H LYS 28 -9.497 -12.082 -7.200 13 HA LYS 28 HA LYS 28 -7.035 -10.488 -7.274 14 HB2 LYS 28 2HB LYS 28 -9.143 -10.617 -9.440 15 HB3 LYS 28 1HB LYS 28 -7.866 -9.410 -9.377 16 HG2 LYS 28 2HG LYS 28 -6.964 -12.205 -9.221 17 HG3 LYS 28 1HG LYS 28 -7.706 -11.720 -10.753 18 HD2 LYS 28 2HD LYS 28 -5.732 -9.848 -9.593 19 HD3 LYS 28 1HD LYS 28 -5.099 -11.379 -10.201 20 HE2 LYS 28 2HE LYS 28 -4.986 -9.993 -12.057 21 HE3 LYS 28 1HE LYS 28 -6.496 -10.871 -12.304 22 HZ1 LYS 28 3HZ LYS 28 -6.266 -8.141 -11.152 23 HZ2 LYS 28 1HZ LYS 28 -7.708 -8.981 -11.434 24 HZ3 LYS 28 2HZ LYS 28 -6.742 -8.499 -12.741 25 H GLN 29 H GLN 29 -7.213 -8.602 -6.251 26 HA GLN 29 HA GLN 29 -9.839 -7.329 -6.031 27 HB2 GLN 29 2HB GLN 29 -8.944 -8.816 -3.956 28 HB3 GLN 29 1HB GLN 29 -8.199 -7.266 -3.566 29 HG2 GLN 29 2HG GLN 29 -10.180 -7.058 -2.464 30 HG3 GLN 29 1HG GLN 29 -10.618 -6.356 -4.020 31 HE21 GLN 29 1HE2 GLN 29 -12.520 -6.986 -4.706 32 HE22 GLN 29 2HE2 GLN 29 -13.242 -8.535 -4.451 33 H GLU 30 H GLU 30 -9.805 -5.118 -5.901 34 HA GLU 30 HA GLU 30 -7.180 -3.812 -5.840 35 HB2 GLU 30 2HB GLU 30 -7.572 -2.576 -7.795 36 HB3 GLU 30 1HB GLU 30 -8.038 -4.224 -8.191 37 HG2 GLU 30 2HG GLU 30 -10.415 -3.333 -7.436 38 HG3 GLU 30 1HG GLU 30 -9.706 -1.794 -7.913 39 H LEU 31 H LEU 31 -7.154 -2.243 -4.375 40 HA LEU 31 HA LEU 31 -9.698 -1.115 -3.459 41 HB2 LEU 31 2HB LEU 31 -6.949 -0.845 -2.238 42 HB3 LEU 31 1HB LEU 31 -8.461 -0.324 -1.519 43 HG LEU 31 HG LEU 31 -8.857 -3.033 -2.027 44 HD11 LEU 31 1HD1 LEU 31 -6.078 -2.568 -0.955 45 HD12 LEU 31 2HD1 LEU 31 -6.504 -3.365 -2.469 46 HD13 LEU 31 3HD1 LEU 31 -6.935 -4.109 -0.929 47 HD21 LEU 31 3HD2 LEU 31 -8.355 -1.323 0.348 48 HD22 LEU 31 1HD2 LEU 31 -8.316 -3.073 0.566 49 HD23 LEU 31 2HD2 LEU 31 -9.765 -2.297 -0.071 50 H ILE 32 H ILE 32 -10.239 0.508 -4.827 51 HA ILE 32 HA ILE 32 -8.198 2.477 -5.560 52 HB ILE 32 HB ILE 32 -9.907 3.349 -7.127 53 HG12 ILE 32 2HG1 ILE 32 -11.641 1.072 -7.193 54 HG13 ILE 32 1HG1 ILE 32 -11.639 1.728 -5.564 55 HG21 ILE 32 1HG2 ILE 32 -9.133 0.447 -7.303 56 HG22 ILE 32 2HG2 ILE 32 -8.309 1.839 -8.013 57 HG23 ILE 32 3HG2 ILE 32 -9.877 1.330 -8.638 58 HD11 ILE 32 3HD1 ILE 32 -13.138 3.195 -6.265 59 HD12 ILE 32 1HD1 ILE 32 -12.892 2.734 -7.952 60 HD13 ILE 32 2HD1 ILE 32 -11.854 3.951 -7.206 61 H LEU 33 H LEU 33 -8.144 4.466 -4.728 62 HA LEU 33 HA LEU 33 -10.392 5.913 -3.857 63 HB2 LEU 33 2HB LEU 33 -9.476 4.054 -1.978 64 HB3 LEU 33 1HB LEU 33 -8.856 5.604 -1.426 65 HG LEU 33 HG LEU 33 -11.568 6.006 -2.147 66 HD11 LEU 33 1HD1 LEU 33 -11.388 3.377 -1.694 67 HD12 LEU 33 2HD1 LEU 33 -12.801 4.334 -1.268 68 HD13 LEU 33 3HD1 LEU 33 -11.600 3.945 -0.038 69 HD21 LEU 33 3HD2 LEU 33 -9.847 6.774 -0.172 70 HD22 LEU 33 1HD2 LEU 33 -10.972 5.735 0.703 71 HD23 LEU 33 2HD2 LEU 33 -11.572 7.117 -0.207 72 H VAL 34 H VAL 34 -9.102 7.509 -1.866 73 HA VAL 34 HA VAL 34 -7.717 9.301 -1.680 74 HB VAL 34 HB VAL 34 -5.869 7.890 -3.593 75 HG11 VAL 34 1HG1 VAL 34 -5.675 10.246 -1.847 76 HG12 VAL 34 2HG1 VAL 34 -4.839 9.878 -3.344 77 HG13 VAL 34 3HG1 VAL 34 -4.287 9.167 -1.835 78 HG21 VAL 34 3HG2 VAL 34 -6.164 7.565 -0.612 79 HG22 VAL 34 1HG2 VAL 34 -4.776 6.997 -1.536 80 HG23 VAL 34 2HG2 VAL 34 -6.373 6.327 -1.851 81 H LEU 35 H LEU 35 -8.065 11.223 -2.548 82 HA LEU 35 HA LEU 35 -8.090 11.485 -5.473 83 HB2 LEU 35 2HB LEU 35 -10.349 11.477 -3.936 84 HB3 LEU 35 1HB LEU 35 -9.961 13.189 -3.961 85 HG LEU 35 HG LEU 35 -9.857 12.976 -6.508 86 HD11 LEU 35 1HD1 LEU 35 -11.403 10.455 -5.962 87 HD12 LEU 35 2HD1 LEU 35 -9.720 10.489 -6.493 88 HD13 LEU 35 3HD1 LEU 35 -10.991 11.137 -7.532 89 HD21 LEU 35 3HD2 LEU 35 -11.995 13.702 -6.625 90 HD22 LEU 35 1HD2 LEU 35 -11.837 13.713 -4.861 91 HD23 LEU 35 2HD2 LEU 35 -12.620 12.355 -5.675 92 H LYS 36 H LYS 36 -8.201 13.947 -6.020 93 HA LYS 36 HA LYS 36 -7.222 15.998 -5.976 94 HB2 LYS 36 2HB LYS 36 -8.207 15.935 -3.580 95 HB3 LYS 36 1HB LYS 36 -6.552 15.635 -3.074 96 HG2 LYS 36 2HG LYS 36 -5.877 17.741 -3.545 97 HG3 LYS 36 1HG LYS 36 -7.002 17.922 -4.885 98 HD2 LYS 36 2HD LYS 36 -7.787 17.911 -1.974 99 HD3 LYS 36 1HD LYS 36 -7.534 19.366 -2.936 100 HE2 LYS 36 2HE LYS 36 -9.260 18.085 -4.528 101 HE3 LYS 36 1HE LYS 36 -9.760 17.430 -2.967 102 HZ1 LYS 36 3HZ LYS 36 -9.368 20.311 -3.087 103 HZ2 LYS 36 1HZ LYS 36 -10.568 19.413 -2.304 104 HZ3 LYS 36 2HZ LYS 36 -10.683 19.709 -3.957 105 H GLY 37 H GLY 37 -5.315 14.183 -3.572 106 HA2 GLY 37 2HA GLY 37 -3.187 13.202 -4.050 107 HA3 GLY 37 1HA GLY 37 -3.027 14.300 -5.414 108 H GLU 38 H GLU 38 -2.103 16.282 -5.134 109 HA GLU 38 HA GLU 38 -0.789 17.879 -4.184 110 HB2 GLU 38 2HB GLU 38 -3.100 17.870 -2.768 111 HB3 GLU 38 1HB GLU 38 -1.945 17.521 -1.486 112 HG2 GLU 38 2HG GLU 38 -0.922 19.650 -3.056 113 HG3 GLU 38 1HG GLU 38 -2.595 20.009 -2.665 114 H LEU 39 H LEU 39 0.649 18.311 -2.127 115 HA LEU 39 HA LEU 39 2.501 17.696 -0.967 116 HB2 LEU 39 2HB LEU 39 0.559 16.360 0.175 117 HB3 LEU 39 1HB LEU 39 1.342 14.966 -0.550 118 HG LEU 39 HG LEU 39 3.408 15.469 0.661 119 HD11 LEU 39 1HD1 LEU 39 1.911 17.941 1.345 120 HD12 LEU 39 2HD1 LEU 39 3.630 17.696 1.027 121 HD13 LEU 39 3HD1 LEU 39 2.947 17.244 2.589 122 HD21 LEU 39 3HD2 LEU 39 2.708 14.459 2.555 123 HD22 LEU 39 1HD2 LEU 39 1.188 14.327 1.672 124 HD23 LEU 39 2HD2 LEU 39 1.425 15.634 2.842 125 H ASP 40 H ASP 40 4.231 17.515 -2.244 126 HA ASP 40 HA ASP 40 4.544 15.078 -3.853 127 HB2 ASP 40 2HB ASP 40 5.060 17.890 -4.386 128 HB3 ASP 40 1HB ASP 40 6.471 16.899 -4.713 129 H LEU 41 H LEU 41 7.207 15.104 -4.357 130 HA LEU 41 HA LEU 41 9.223 14.464 -3.547 131 HB2 LEU 41 2HB LEU 41 8.335 16.281 -1.323 132 HB3 LEU 41 1HB LEU 41 9.869 15.429 -1.261 133 HG LEU 41 HG LEU 41 10.375 16.529 -3.517 134 HD11 LEU 41 1HD1 LEU 41 8.464 17.471 -4.334 135 HD12 LEU 41 2HD1 LEU 41 9.118 18.865 -3.471 136 HD13 LEU 41 3HD1 LEU 41 7.852 17.887 -2.738 137 HD21 LEU 41 3HD2 LEU 41 11.595 17.208 -1.615 138 HD22 LEU 41 1HD2 LEU 41 10.198 18.038 -0.923 139 HD23 LEU 41 2HD2 LEU 41 10.997 18.696 -2.359 140 H HIS 42 H HIS 42 7.498 14.581 -0.452 141 HA HIS 42 HA HIS 42 7.909 11.679 -0.222 142 HB2 HIS 42 2HB HIS 42 8.565 13.866 1.569 143 HB3 HIS 42 1HB HIS 42 7.506 12.691 2.357 144 HD1 HIS 42 1HD HIS 42 8.546 10.552 3.135 145 HD2 HIS 42 2HD HIS 42 11.041 12.723 0.621 146 HE1 HIS 42 1HE HIS 42 10.772 9.378 3.214 147 HE2 HIS 42 2HE HIS 42 12.289 10.768 1.766 148 H SER 43 H SER 43 5.981 10.896 -0.890 149 HA SER 43 HA SER 43 3.500 12.037 0.083 150 HB2 SER 43 2HB SER 43 4.230 9.972 -1.940 151 HB3 SER 43 1HB SER 43 2.607 9.941 -1.255 152 HG SER 43 HG SER 43 2.405 12.141 -1.915 153 H LYS 44 H LYS 44 2.138 11.142 1.563 154 HA LYS 44 HA LYS 44 3.270 9.097 3.277 155 HB2 LYS 44 2HB LYS 44 0.749 10.739 3.523 156 HB3 LYS 44 1HB LYS 44 1.318 9.600 4.735 157 HG2 LYS 44 2HG LYS 44 3.203 11.701 3.863 158 HG3 LYS 44 1HG LYS 44 1.831 12.192 4.865 159 HD2 LYS 44 2HD LYS 44 3.178 9.790 5.830 160 HD3 LYS 44 1HD LYS 44 4.232 11.199 5.785 161 HE2 LYS 44 2HE LYS 44 2.774 12.428 7.196 162 HE3 LYS 44 1HE LYS 44 1.491 11.242 7.031 163 HZ1 LYS 44 3HZ LYS 44 4.091 10.523 8.226 164 HZ2 LYS 44 1HZ LYS 44 2.605 9.742 8.395 165 HZ3 LYS 44 2HZ LYS 44 2.876 11.225 9.160 166 H ASN 45 H ASN 45 0.732 9.429 0.917 167 HA ASN 45 HA ASN 45 -0.875 7.255 1.568 168 HB2 ASN 45 2HB ASN 45 -0.231 8.156 -1.243 169 HB3 ASN 45 1HB ASN 45 -1.701 7.352 -0.685 170 HD21 ASN 45 1HD2 ASN 45 -0.057 10.312 -1.082 171 HD22 ASN 45 2HD2 ASN 45 -1.294 11.343 -0.456 172 H MET 46 H MET 46 1.692 7.327 -0.915 173 HA MET 46 HA MET 46 1.733 4.589 -1.421 174 HB2 MET 46 2HB MET 46 4.029 4.981 -2.299 175 HB3 MET 46 1HB MET 46 2.833 6.119 -2.914 176 HG2 MET 46 2HG MET 46 4.418 7.621 -2.412 177 HG3 MET 46 1HG MET 46 3.712 7.507 -0.803 178 HE1 MET 46 3HE MET 46 6.242 6.742 -3.234 179 HE2 MET 46 1HE MET 46 7.023 5.281 -2.623 180 HE3 MET 46 2HE MET 46 7.732 6.859 -2.285 181 H LYS 47 H LYS 47 3.386 6.477 1.040 182 HA LYS 47 HA LYS 47 5.051 4.364 1.960 183 HB2 LYS 47 2HB LYS 47 5.506 6.780 2.357 184 HB3 LYS 47 1HB LYS 47 4.140 6.824 3.461 185 HG2 LYS 47 2HG LYS 47 5.270 5.809 5.118 186 HG3 LYS 47 1HG LYS 47 6.154 4.750 4.017 187 HD2 LYS 47 2HD LYS 47 7.185 7.195 3.380 188 HD3 LYS 47 1HD LYS 47 6.897 7.361 5.112 189 HE2 LYS 47 2HE LYS 47 8.121 5.201 5.434 190 HE3 LYS 47 1HE LYS 47 8.543 5.254 3.722 191 HZ1 LYS 47 3HZ LYS 47 9.325 7.672 4.504 192 HZ2 LYS 47 1HZ LYS 47 10.346 6.322 4.500 193 HZ3 LYS 47 2HZ LYS 47 9.594 6.810 5.934 194 H ASN 48 H ASN 48 1.768 5.273 2.534 195 HA ASN 48 HA ASN 48 1.444 3.900 5.012 196 HB2 ASN 48 2HB ASN 48 -0.326 5.254 3.059 197 HB3 ASN 48 1HB ASN 48 -1.078 4.014 4.055 198 HD21 ASN 48 1HD2 ASN 48 0.106 4.259 6.436 199 HD22 ASN 48 2HD2 ASN 48 -0.174 5.824 7.111 200 H VAL 49 H VAL 49 1.087 3.013 1.626 201 HA VAL 49 HA VAL 49 -0.139 0.478 2.219 202 HB VAL 49 HB VAL 49 1.167 1.238 -0.386 203 HG11 VAL 49 1HG1 VAL 49 0.269 -0.636 -1.215 204 HG12 VAL 49 2HG1 VAL 49 -1.266 -0.369 -0.397 205 HG13 VAL 49 3HG1 VAL 49 0.069 -1.130 0.464 206 HG21 VAL 49 3HG2 VAL 49 -1.755 1.601 0.019 207 HG22 VAL 49 1HG2 VAL 49 -0.648 2.449 -1.061 208 HG23 VAL 49 2HG2 VAL 49 -0.673 2.836 0.659 209 H ILE 50 H ILE 50 3.091 1.555 1.194 210 HA ILE 50 HA ILE 50 4.285 -0.949 0.951 211 HB ILE 50 HB ILE 50 5.358 1.138 0.215 212 HG12 ILE 50 2HG1 ILE 50 7.666 0.614 1.240 213 HG13 ILE 50 1HG1 ILE 50 6.836 -0.669 2.115 214 HG21 ILE 50 1HG2 ILE 50 5.965 1.635 3.124 215 HG22 ILE 50 2HG2 ILE 50 4.699 2.464 2.215 216 HG23 ILE 50 3HG2 ILE 50 6.394 2.655 1.751 217 HD11 ILE 50 3HD1 ILE 50 7.828 -0.667 -0.549 218 HD12 ILE 50 1HD1 ILE 50 6.080 -0.895 -0.588 219 HD13 ILE 50 2HD1 ILE 50 7.093 -1.983 0.363 220 H ASN 51 H ASN 51 3.719 1.056 3.786 221 HA ASN 51 HA ASN 51 5.239 -0.586 5.569 222 HB2 ASN 51 2HB ASN 51 4.568 1.898 5.845 223 HB3 ASN 51 1HB ASN 51 3.027 1.269 6.428 224 HD21 ASN 51 1HD2 ASN 51 5.157 2.786 7.781 225 HD22 ASN 51 2HD2 ASN 51 5.595 1.840 9.159 226 H ASN 52 H ASN 52 1.725 -0.039 5.199 227 HA ASN 52 HA ASN 52 0.908 -2.063 6.948 228 HB2 ASN 52 2HB ASN 52 -0.450 -0.727 4.611 229 HB3 ASN 52 1HB ASN 52 -1.263 -1.964 5.573 230 HD21 ASN 52 1HD2 ASN 52 -2.790 -0.264 6.040 231 HD22 ASN 52 2HD2 ASN 52 -2.450 0.861 7.306 232 H ALA 53 H ALA 53 1.393 -2.114 3.435 233 HA ALA 53 HA ALA 53 0.557 -4.743 2.967 234 HB1 ALA 53 1HB ALA 53 2.588 -3.068 1.497 235 HB2 ALA 53 2HB ALA 53 0.873 -3.213 1.138 236 HB3 ALA 53 3HB ALA 53 1.944 -4.595 0.909 237 H LYS 54 H LYS 54 3.537 -3.463 4.249 238 HA LYS 54 HA LYS 54 5.136 -5.777 3.860 239 HB2 LYS 54 2HB LYS 54 5.542 -3.194 4.823 240 HB3 LYS 54 1HB LYS 54 5.873 -4.229 6.205 241 HG2 LYS 54 2HG LYS 54 7.125 -4.599 3.495 242 HG3 LYS 54 1HG LYS 54 7.868 -3.687 4.816 243 HD2 LYS 54 2HD LYS 54 7.828 -5.694 6.218 244 HD3 LYS 54 1HD LYS 54 7.082 -6.603 4.903 245 HE2 LYS 54 2HE LYS 54 9.043 -6.938 3.896 246 HE3 LYS 54 1HE LYS 54 9.495 -5.241 4.052 247 HZ1 LYS 54 3HZ LYS 54 10.738 -7.219 5.322 248 HZ2 LYS 54 1HZ LYS 54 9.594 -6.804 6.498 249 HZ3 LYS 54 2HZ LYS 54 10.668 -5.637 5.914 250 H LYS 55 H LYS 55 3.228 -4.576 6.600 251 HA LYS 55 HA LYS 55 3.869 -6.652 8.386 252 HB2 LYS 55 2HB LYS 55 2.143 -4.370 8.343 253 HB3 LYS 55 1HB LYS 55 1.220 -5.753 8.920 254 HG2 LYS 55 2HG LYS 55 2.772 -6.133 10.695 255 HG3 LYS 55 1HG LYS 55 3.889 -4.931 10.047 256 HD2 LYS 55 2HD LYS 55 2.565 -3.155 10.710 257 HD3 LYS 55 1HD LYS 55 1.100 -4.129 10.757 258 HE2 LYS 55 2HE LYS 55 3.255 -4.899 12.629 259 HE3 LYS 55 1HE LYS 55 2.444 -3.368 12.953 260 HZ1 LYS 55 3HZ LYS 55 0.305 -4.728 12.674 261 HZ2 LYS 55 1HZ LYS 55 1.187 -4.907 14.110 262 HZ3 LYS 55 2HZ LYS 55 1.291 -6.084 12.897 263 H ASN 56 H ASN 56 1.393 -6.329 5.910 264 HA ASN 56 HA ASN 56 -0.136 -8.604 6.608 265 HB2 ASN 56 2HB ASN 56 0.191 -7.026 4.065 266 HB3 ASN 56 1HB ASN 56 -0.811 -8.473 4.119 267 HD21 ASN 56 1HD2 ASN 56 -0.754 -5.180 4.526 268 HD22 ASN 56 2HD2 ASN 56 -2.235 -4.982 5.387 269 H LEU 57 H LEU 57 2.291 -8.183 4.024 270 HA LEU 57 HA LEU 57 2.412 -10.776 3.108 271 HB2 LEU 57 2HB LEU 57 4.476 -8.615 3.306 272 HB3 LEU 57 1HB LEU 57 4.900 -10.196 2.662 273 HG LEU 57 HG LEU 57 2.527 -8.878 1.475 274 HD11 LEU 57 1HD1 LEU 57 4.656 -7.258 1.841 275 HD12 LEU 57 2HD1 LEU 57 3.548 -7.151 0.468 276 HD13 LEU 57 3HD1 LEU 57 5.079 -8.013 0.304 277 HD21 LEU 57 3HD2 LEU 57 3.319 -9.924 -0.520 278 HD22 LEU 57 1HD2 LEU 57 3.430 -11.105 0.787 279 HD23 LEU 57 2HD2 LEU 57 4.879 -10.273 0.219 280 H GLU 58 H GLU 58 4.580 -9.340 5.537 281 HA GLU 58 HA GLU 58 5.852 -11.729 6.256 282 HB2 GLU 58 2HB GLU 58 5.519 -9.065 7.597 283 HB3 GLU 58 1HB GLU 58 6.267 -10.397 8.464 284 HG2 GLU 58 2HG GLU 58 7.783 -10.582 6.379 285 HG3 GLU 58 1HG GLU 58 7.224 -8.946 6.035 286 H LYS 59 H LYS 59 2.797 -10.365 7.223 287 HA LYS 59 HA LYS 59 2.391 -11.741 9.624 288 HB2 LYS 59 2HB LYS 59 0.789 -10.206 7.772 289 HB3 LYS 59 1HB LYS 59 -0.110 -11.597 8.346 290 HG2 LYS 59 2HG LYS 59 0.680 -10.832 10.689 291 HG3 LYS 59 1HG LYS 59 0.982 -9.288 9.887 292 HD2 LYS 59 2HD LYS 59 -1.532 -9.983 9.001 293 HD3 LYS 59 1HD LYS 59 -1.531 -10.531 10.679 294 HE2 LYS 59 2HE LYS 59 -2.191 -8.379 11.009 295 HE3 LYS 59 1HE LYS 59 -0.445 -8.141 11.058 296 HZ1 LYS 59 3HZ LYS 59 -0.442 -7.070 9.084 297 HZ2 LYS 59 1HZ LYS 59 -2.039 -6.711 9.518 298 HZ3 LYS 59 2HZ LYS 59 -1.718 -7.978 8.443 299 H TYR 60 H TYR 60 1.985 -12.737 6.279 300 HA TYR 60 HA TYR 60 0.744 -15.245 6.963 301 HB2 TYR 60 2HB TYR 60 2.037 -14.579 4.320 302 HB3 TYR 60 1HB TYR 60 0.721 -15.712 4.639 303 HD1 TYR 60 2HD TYR 60 -1.500 -14.694 5.488 304 HD2 TYR 60 1HD TYR 60 1.566 -12.420 3.616 305 HE1 TYR 60 2HE TYR 60 -3.139 -12.942 4.950 306 HE2 TYR 60 1HE TYR 60 -0.063 -10.659 3.071 307 HH TYR 60 HH TYR 60 -2.210 -9.849 3.793 308 H PHE 61 H PHE 61 3.960 -14.098 6.144 309 HA PHE 61 HA PHE 61 5.131 -16.708 6.018 310 HB2 PHE 61 2HB PHE 61 5.906 -14.217 5.181 311 HB3 PHE 61 1HB PHE 61 6.927 -14.452 6.599 312 HD1 PHE 61 1HD PHE 61 7.361 -17.393 6.436 313 HD2 PHE 61 2HD PHE 61 7.414 -14.390 3.420 314 HE1 PHE 61 1HE PHE 61 8.900 -18.769 5.097 315 HE2 PHE 61 2HE PHE 61 8.944 -15.765 2.073 316 HZ PHE 61 HZ PHE 61 9.693 -17.957 2.911 317 H LYS 62 H LYS 62 4.430 -14.439 8.532 318 HA LYS 62 HA LYS 62 6.262 -15.673 10.415 319 HB2 LYS 62 2HB LYS 62 5.514 -13.154 10.256 320 HB3 LYS 62 1HB LYS 62 4.158 -13.708 11.226 321 HG2 LYS 62 2HG LYS 62 5.648 -14.465 12.962 322 HG3 LYS 62 1HG LYS 62 7.053 -14.066 11.973 323 HD2 LYS 62 2HD LYS 62 6.655 -11.753 12.155 324 HD3 LYS 62 1HD LYS 62 5.004 -12.003 12.744 325 HE2 LYS 62 2HE LYS 62 6.177 -11.431 14.667 326 HE3 LYS 62 1HE LYS 62 6.137 -13.190 14.733 327 HZ1 LYS 62 3HZ LYS 62 8.355 -11.809 15.070 328 HZ2 LYS 62 1HZ LYS 62 8.422 -11.978 13.387 329 HZ3 LYS 62 2HZ LYS 62 8.350 -13.349 14.374 330 H GLU 63 H GLU 63 2.843 -15.663 9.657 331 HA GLU 63 HA GLU 63 2.274 -17.361 11.969 332 HB2 GLU 63 2HB GLU 63 0.853 -15.311 10.791 333 HB3 GLU 63 1HB GLU 63 0.029 -16.754 10.199 334 HG2 GLU 63 2HG GLU 63 -0.922 -17.132 12.169 335 HG3 GLU 63 1HG GLU 63 0.596 -16.909 13.036 336 H HIS 64 H HIS 64 1.696 -17.383 8.440 337 HA HIS 64 HA HIS 64 1.348 -20.291 8.620 338 HB2 HIS 64 2HB HIS 64 0.432 -18.304 6.546 339 HB3 HIS 64 1HB HIS 64 0.332 -20.047 6.315 340 HD1 HIS 64 1HD HIS 64 -2.211 -18.325 6.336 341 HD2 HIS 64 2HD HIS 64 -0.665 -20.235 9.687 342 HE1 HIS 64 1HE HIS 64 -4.153 -18.596 7.912 343 HE2 HIS 64 2HE HIS 64 -3.175 -19.678 9.966 344 H PHE 65 H PHE 65 3.836 -18.410 8.203 345 HA PHE 65 HA PHE 65 5.804 -18.456 7.043 346 HB2 PHE 65 2HB PHE 65 5.330 -20.912 8.112 347 HB3 PHE 65 1HB PHE 65 5.565 -21.331 6.412 348 HD1 PHE 65 2HD PHE 65 7.139 -19.227 9.066 349 HD2 PHE 65 1HD PHE 65 7.700 -21.781 5.709 350 HE1 PHE 65 2HE PHE 65 9.579 -19.095 9.384 351 HE2 PHE 65 1HE PHE 65 10.144 -21.654 6.021 352 HZ PHE 65 HZ PHE 65 11.079 -20.312 7.858 353 H LYS 66 H LYS 66 6.858 -19.703 4.957 354 HA LYS 66 HA LYS 66 6.955 -19.676 2.685 355 HB2 LYS 66 2HB LYS 66 4.219 -20.720 3.256 356 HB3 LYS 66 1HB LYS 66 4.631 -20.320 1.595 357 HG2 LYS 66 2HG LYS 66 6.790 -21.806 2.484 358 HG3 LYS 66 1HG LYS 66 5.390 -22.606 3.196 359 HD2 LYS 66 2HD LYS 66 5.395 -23.665 1.185 360 HD3 LYS 66 1HD LYS 66 4.448 -22.249 0.725 361 HE2 LYS 66 2HE LYS 66 6.529 -21.162 -0.044 362 HE3 LYS 66 1HE LYS 66 7.406 -22.648 0.325 363 HZ1 LYS 66 3HZ LYS 66 6.501 -22.160 -2.068 364 HZ2 LYS 66 1HZ LYS 66 5.077 -22.817 -1.434 365 HZ3 LYS 66 2HZ LYS 66 6.501 -23.730 -1.440 366 H GLU 67 H GLU 67 6.038 -18.641 0.669 367 HA GLU 67 HA GLU 67 5.202 -15.924 1.347 368 HB2 GLU 67 2HB GLU 67 6.700 -17.181 -0.870 369 HB3 GLU 67 1HB GLU 67 5.665 -15.831 -1.318 370 HG2 GLU 67 2HG GLU 67 7.020 -14.326 -0.372 371 HG3 GLU 67 1HG GLU 67 7.296 -15.329 1.051 372 H PHE 68 H PHE 68 3.092 -15.544 1.350 373 HA PHE 68 HA PHE 68 1.500 -16.396 -0.939 374 HB2 PHE 68 2HB PHE 68 1.082 -17.303 1.870 375 HB3 PHE 68 1HB PHE 68 -0.343 -16.933 0.905 376 HD1 PHE 68 1HD PHE 68 2.637 -19.084 1.146 377 HD2 PHE 68 2HD PHE 68 -1.068 -18.378 -0.826 378 HE1 PHE 68 1HE PHE 68 2.770 -21.311 0.108 379 HE2 PHE 68 2HE PHE 68 -0.943 -20.605 -1.867 380 HZ PHE 68 HZ PHE 68 0.978 -22.074 -1.400 381 H ASP 69 H ASP 69 -0.422 -15.176 -1.239 382 HA ASP 69 HA ASP 69 -1.680 -13.282 -1.250 383 HB2 ASP 69 2HB ASP 69 -0.782 -13.023 1.628 384 HB3 ASP 69 1HB ASP 69 -2.123 -12.159 0.884 385 H LYS 70 H LYS 70 -0.771 -11.870 -2.616 386 HA LYS 70 HA LYS 70 1.400 -10.161 -1.590 387 HB2 LYS 70 2HB LYS 70 1.542 -11.779 -3.769 388 HB3 LYS 70 1HB LYS 70 0.982 -10.286 -4.511 389 HG2 LYS 70 2HG LYS 70 3.281 -10.120 -4.664 390 HG3 LYS 70 1HG LYS 70 2.908 -9.181 -3.219 391 HD2 LYS 70 2HD LYS 70 4.702 -10.482 -2.528 392 HD3 LYS 70 1HD LYS 70 3.309 -11.415 -1.966 393 HE2 LYS 70 2HE LYS 70 3.495 -12.938 -3.772 394 HE3 LYS 70 1HE LYS 70 4.647 -11.910 -4.615 395 HZ1 LYS 70 3HZ LYS 70 5.878 -13.643 -3.636 396 HZ2 LYS 70 1HZ LYS 70 5.084 -13.493 -2.149 397 HZ3 LYS 70 2HZ LYS 70 6.160 -12.290 -2.660 398 H ILE 71 H ILE 71 1.425 -7.942 -2.541 399 HA ILE 71 HA ILE 71 -1.134 -6.965 -3.487 400 HB ILE 71 HB ILE 71 -1.383 -6.873 -1.051 401 HG12 ILE 71 2HG1 ILE 71 -0.993 -4.081 -2.135 402 HG13 ILE 71 1HG1 ILE 71 -2.343 -5.109 -2.600 403 HG21 ILE 71 1HG2 ILE 71 1.229 -6.412 -0.890 404 HG22 ILE 71 2HG2 ILE 71 0.101 -5.953 0.386 405 HG23 ILE 71 3HG2 ILE 71 0.650 -4.748 -0.781 406 HD11 ILE 71 3HD1 ILE 71 -3.431 -4.219 -0.884 407 HD12 ILE 71 1HD1 ILE 71 -1.958 -3.510 -0.222 408 HD13 ILE 71 2HD1 ILE 71 -2.381 -5.179 0.159 409 H SER 72 H SER 72 -0.402 -6.046 -5.314 410 HA SER 72 HA SER 72 1.977 -4.356 -5.230 411 HB2 SER 72 2HB SER 72 0.266 -5.283 -7.550 412 HB3 SER 72 1HB SER 72 1.693 -4.275 -7.703 413 HG SER 72 HG SER 72 1.834 -6.725 -7.907 414 H TYR 73 H TYR 73 1.719 -2.271 -4.775 415 HA TYR 73 HA TYR 73 -0.865 -1.021 -5.413 416 HB2 TYR 73 2HB TYR 73 -0.577 0.429 -3.576 417 HB3 TYR 73 1HB TYR 73 -0.120 -1.162 -3.003 418 HD1 TYR 73 2HD TYR 73 2.281 -1.704 -2.635 419 HD2 TYR 73 1HD TYR 73 1.006 2.224 -3.658 420 HE1 TYR 73 2HE TYR 73 4.445 -0.812 -1.887 421 HE2 TYR 73 1HE TYR 73 3.165 3.127 -2.913 422 HH TYR 73 HH TYR 73 5.433 2.404 -2.541 423 H ASP 74 H ASP 74 -0.949 1.015 -6.343 424 HA ASP 74 HA ASP 74 1.403 2.474 -7.058 425 HB2 ASP 74 2HB ASP 74 1.185 0.396 -8.675 426 HB3 ASP 74 1HB ASP 74 -0.011 1.418 -9.468 427 H ILE 75 H ILE 75 0.854 4.281 -8.623 428 HA ILE 75 HA ILE 75 -1.904 5.187 -8.115 429 HB ILE 75 HB ILE 75 -1.069 7.486 -8.215 430 HG12 ILE 75 2HG1 ILE 75 1.656 7.361 -7.875 431 HG13 ILE 75 1HG1 ILE 75 1.380 6.118 -9.099 432 HG21 ILE 75 1HG2 ILE 75 0.098 7.510 -6.089 433 HG22 ILE 75 2HG2 ILE 75 0.467 5.795 -6.253 434 HG23 ILE 75 3HG2 ILE 75 -1.205 6.330 -6.069 435 HD11 ILE 75 3HD1 ILE 75 0.737 7.611 -10.678 436 HD12 ILE 75 1HD1 ILE 75 1.822 8.637 -9.731 437 HD13 ILE 75 2HD1 ILE 75 0.080 8.748 -9.503 438 H SER 76 H SER 76 -3.119 5.924 -9.796 439 HA SER 76 HA SER 76 -1.827 6.141 -12.431 440 HB2 SER 76 2HB SER 76 -3.051 3.916 -12.016 441 HB3 SER 76 1HB SER 76 -4.532 4.870 -12.104 442 HG SER 76 HG SER 76 -2.540 4.709 -14.116 443 H THR 77 H THR 77 -3.968 6.766 -13.967 444 HA THR 77 HA THR 77 -5.297 8.472 -14.627 445 HB THR 77 HB THR 77 -6.943 9.259 -13.180 446 HG1 THR 77 1HG THR 77 -5.259 8.761 -10.953 447 HG21 THR 77 3HG2 THR 77 -7.816 7.331 -12.524 448 HG22 THR 77 1HG2 THR 77 -6.574 7.115 -11.296 449 HG23 THR 77 2HG2 THR 77 -6.291 6.570 -12.951 450 HA PRO 78 HA PRO 78 -2.422 11.869 -14.676 451 HB2 PRO 78 2HB PRO 78 -4.815 13.385 -15.602 452 HB3 PRO 78 1HB PRO 78 -3.207 13.260 -16.322 453 HG2 PRO 78 2HG PRO 78 -5.274 11.958 -17.373 454 HG3 PRO 78 1HG PRO 78 -3.673 11.214 -17.315 455 HD2 PRO 78 2HD PRO 78 -6.058 10.691 -15.604 456 HD3 PRO 78 1HD PRO 78 -4.832 9.565 -16.204 457 H ILE 79 H ILE 79 -5.541 11.975 -13.111 458 HA ILE 79 HA ILE 79 -5.148 14.459 -11.761 459 HB ILE 79 HB ILE 79 -7.006 12.244 -10.934 460 HG12 ILE 79 2HG1 ILE 79 -8.567 13.993 -12.297 461 HG13 ILE 79 1HG1 ILE 79 -7.080 14.088 -13.234 462 HG21 ILE 79 1HG2 ILE 79 -6.746 15.133 -10.284 463 HG22 ILE 79 2HG2 ILE 79 -7.057 13.774 -9.220 464 HG23 ILE 79 3HG2 ILE 79 -8.334 14.387 -10.265 465 HD11 ILE 79 3HD1 ILE 79 -9.064 12.236 -13.564 466 HD12 ILE 79 1HD1 ILE 79 -7.868 11.353 -12.615 467 HD13 ILE 79 2HD1 ILE 79 -7.410 12.085 -14.149 468 H ASN 80 H ASN 80 -3.720 11.452 -11.348 469 HA ASN 80 HA ASN 80 -2.296 10.645 -9.771 470 HB2 ASN 80 2HB ASN 80 -1.679 13.110 -9.558 471 HB3 ASN 80 1HB ASN 80 -2.742 13.153 -8.159 472 HD21 ASN 80 1HD2 ASN 80 -0.650 13.810 -7.168 473 HD22 ASN 80 2HD2 ASN 80 0.372 12.561 -6.559 474 H PHE 81 H PHE 81 -3.933 9.065 -9.352 475 HA PHE 81 HA PHE 81 -5.248 9.448 -6.736 476 HB2 PHE 81 2HB PHE 81 -6.186 7.842 -9.127 477 HB3 PHE 81 1HB PHE 81 -6.945 7.794 -7.535 478 HD1 PHE 81 1HD PHE 81 -6.745 10.721 -6.867 479 HD2 PHE 81 2HD PHE 81 -7.923 8.700 -10.424 480 HE1 PHE 81 1HE PHE 81 -8.153 12.644 -7.483 481 HE2 PHE 81 2HE PHE 81 -9.331 10.624 -11.050 482 HZ PHE 81 HZ PHE 81 -9.444 12.591 -9.580 483 H LEU 82 H LEU 82 -5.572 7.428 -5.504 484 HA LEU 82 HA LEU 82 -3.181 5.779 -5.685 485 HB2 LEU 82 2HB LEU 82 -4.174 6.911 -3.548 486 HB3 LEU 82 1HB LEU 82 -5.238 5.525 -3.530 487 HG LEU 82 HG LEU 82 -3.097 4.106 -3.620 488 HD11 LEU 82 1HD1 LEU 82 -1.292 5.539 -2.293 489 HD12 LEU 82 2HD1 LEU 82 -2.023 6.841 -3.230 490 HD13 LEU 82 3HD1 LEU 82 -1.321 5.449 -4.049 491 HD21 LEU 82 3HD2 LEU 82 -3.133 3.903 -1.328 492 HD22 LEU 82 1HD2 LEU 82 -4.680 4.685 -1.629 493 HD23 LEU 82 2HD2 LEU 82 -3.309 5.639 -1.067 494 H CYS 83 H CYS 83 -3.458 4.240 -7.203 495 HA CYS 83 HA CYS 83 -5.918 2.644 -7.150 496 HB2 CYS 83 2HB CYS 83 -3.723 2.905 -9.207 497 HB3 CYS 83 1HB CYS 83 -5.026 1.729 -9.330 498 HG CYS 83 HG CYS 83 -6.696 3.624 -9.722 499 H ILE 84 H ILE 84 -5.613 1.236 -5.483 500 HA ILE 84 HA ILE 84 -3.142 -0.309 -5.348 501 HB ILE 84 HB ILE 84 -5.536 -0.288 -3.517 502 HG12 ILE 84 2HG1 ILE 84 -3.549 1.612 -3.804 503 HG13 ILE 84 1HG1 ILE 84 -4.584 1.405 -2.399 504 HG21 ILE 84 1HG2 ILE 84 -2.889 -1.684 -3.195 505 HG22 ILE 84 2HG2 ILE 84 -4.450 -2.455 -3.475 506 HG23 ILE 84 3HG2 ILE 84 -4.154 -1.586 -1.969 507 HD11 ILE 84 3HD1 ILE 84 -1.998 1.515 -2.149 508 HD12 ILE 84 1HD1 ILE 84 -2.084 -0.188 -2.599 509 HD13 ILE 84 2HD1 ILE 84 -2.943 0.390 -1.174 510 H PHE 85 H PHE 85 -2.941 -2.315 -6.065 511 HA PHE 85 HA PHE 85 -5.375 -3.841 -6.713 512 HB2 PHE 85 2HB PHE 85 -3.143 -3.058 -8.425 513 HB3 PHE 85 1HB PHE 85 -3.393 -4.800 -8.416 514 HD1 PHE 85 2HD PHE 85 -5.704 -5.679 -8.962 515 HD2 PHE 85 1HD PHE 85 -4.525 -1.651 -9.663 516 HE1 PHE 85 2HE PHE 85 -7.554 -5.421 -10.567 517 HE2 PHE 85 1HE PHE 85 -6.373 -1.385 -11.267 518 HZ PHE 85 HZ PHE 85 -7.890 -3.271 -11.719 519 H ILE 86 H ILE 86 -5.251 -4.947 -4.742 520 HA ILE 86 HA ILE 86 -2.846 -6.386 -4.038 521 HB ILE 86 HB ILE 86 -4.201 -5.431 -2.258 522 HG12 ILE 86 2HG1 ILE 86 -4.474 -8.429 -2.079 523 HG13 ILE 86 1HG1 ILE 86 -2.913 -7.623 -1.981 524 HG21 ILE 86 1HG2 ILE 86 -6.361 -6.446 -3.750 525 HG22 ILE 86 2HG2 ILE 86 -6.413 -5.501 -2.264 526 HG23 ILE 86 3HG2 ILE 86 -6.389 -7.263 -2.188 527 HD11 ILE 86 3HD1 ILE 86 -4.043 -6.241 -0.099 528 HD12 ILE 86 1HD1 ILE 86 -3.476 -7.877 0.232 529 HD13 ILE 86 2HD1 ILE 86 -5.191 -7.580 -0.060 530 HA PRO 87 HA PRO 87 -4.505 -9.921 -6.358 531 HB2 PRO 87 2HB PRO 87 -1.890 -10.823 -6.928 532 HB3 PRO 87 1HB PRO 87 -2.950 -9.896 -7.993 533 HG2 PRO 87 2HG PRO 87 -0.544 -8.999 -6.878 534 HG3 PRO 87 1HG PRO 87 -1.782 -7.987 -7.638 535 HD2 PRO 87 2HD PRO 87 -1.279 -8.518 -4.751 536 HD3 PRO 87 1HD PRO 87 -1.840 -7.038 -5.543 537 H THR 88 H THR 88 -5.216 -11.534 -5.105 538 HA THR 88 HA THR 88 -3.414 -13.406 -3.947 539 HB THR 88 HB THR 88 -3.270 -11.616 -2.246 540 HG1 THR 88 1HG THR 88 -3.812 -12.968 -0.474 541 HG21 THR 88 3HG2 THR 88 -5.146 -10.432 -1.932 542 HG22 THR 88 1HG2 THR 88 -5.506 -11.695 -0.755 543 HG23 THR 88 2HG2 THR 88 -6.201 -11.774 -2.373 544 H LEU 89 H LEU 89 -4.399 -15.337 -3.464 545 HA LEU 89 HA LEU 89 -7.174 -15.567 -4.318 546 HB2 LEU 89 2HB LEU 89 -4.853 -17.373 -4.121 547 HB3 LEU 89 1HB LEU 89 -6.399 -18.110 -3.749 548 HG LEU 89 HG LEU 89 -5.779 -18.421 -6.100 549 HD11 LEU 89 1HD1 LEU 89 -8.031 -18.536 -6.071 550 HD12 LEU 89 2HD1 LEU 89 -7.901 -17.033 -6.984 551 HD13 LEU 89 3HD1 LEU 89 -8.211 -16.987 -5.249 552 HD21 LEU 89 3HD2 LEU 89 -4.519 -16.650 -6.812 553 HD22 LEU 89 1HD2 LEU 89 -5.526 -15.459 -5.989 554 HD23 LEU 89 2HD2 LEU 89 -6.087 -16.203 -7.486 555 H PHE 90 H PHE 90 -8.211 -14.653 -2.507 556 HA PHE 90 HA PHE 90 -7.798 -15.346 0.143 557 HB2 PHE 90 2HB PHE 90 -9.098 -13.474 -0.108 558 HB3 PHE 90 1HB PHE 90 -10.107 -14.187 -1.359 559 HD1 PHE 90 1HD PHE 90 -9.253 -15.278 2.103 560 HD2 PHE 90 2HD PHE 90 -12.295 -14.128 -0.641 561 HE1 PHE 90 1HE PHE 90 -10.965 -15.775 3.799 562 HE2 PHE 90 2HE PHE 90 -14.013 -14.622 1.049 563 HZ PHE 90 HZ PHE 90 -13.349 -15.446 3.273 564 H ASP 91 H ASP 91 -7.613 -17.362 0.646 565 HA ASP 91 HA ASP 91 -9.830 -18.978 1.149 566 HB2 ASP 91 2HB ASP 91 -9.373 -19.081 -1.510 567 HB3 ASP 91 1HB ASP 91 -8.315 -20.387 -0.972 568 H MET 92 H MET 92 -6.384 -18.883 0.434 569 HA MET 92 HA MET 92 -5.834 -21.193 2.085 570 HB2 MET 92 2HB MET 92 -4.514 -19.909 -0.015 571 HB3 MET 92 1HB MET 92 -3.503 -19.607 1.398 572 HG2 MET 92 2HG MET 92 -4.436 -22.371 1.144 573 HG3 MET 92 1HG MET 92 -3.394 -21.825 -0.169 574 HE1 MET 92 3HE MET 92 -3.734 -22.693 3.574 575 HE2 MET 92 1HE MET 92 -2.101 -23.315 3.816 576 HE3 MET 92 2HE MET 92 -3.130 -24.003 2.560 577 H ASN 93 H ASN 93 -4.823 -17.768 2.177 578 HA ASN 93 HA ASN 93 -3.621 -17.779 4.665 579 HB2 ASN 93 2HB ASN 93 -4.009 -15.362 4.717 580 HB3 ASN 93 1HB ASN 93 -3.508 -15.879 3.109 581 HD21 ASN 93 1HD2 ASN 93 -4.978 -15.827 1.423 582 HD22 ASN 93 2HD2 ASN 93 -6.466 -14.956 1.523 583 H ASN 94 H ASN 94 -7.004 -17.789 3.862 584 HA ASN 94 HA ASN 94 -8.900 -17.888 5.113 585 HB2 ASN 94 2HB ASN 94 -6.932 -19.521 6.403 586 HB3 ASN 94 1HB ASN 94 -7.938 -18.768 7.636 587 HD21 ASN 94 1HD2 ASN 94 -7.896 -21.503 7.161 588 HD22 ASN 94 2HD2 ASN 94 -9.439 -21.984 6.551 589 H MET 95 H MET 95 -7.243 -15.432 5.222 590 HA MET 95 HA MET 95 -8.548 -14.252 7.549 591 HB2 MET 95 2HB MET 95 -6.348 -14.732 8.394 592 HB3 MET 95 1HB MET 95 -5.592 -14.047 6.963 593 HG2 MET 95 2HG MET 95 -5.477 -12.087 7.966 594 HG3 MET 95 1HG MET 95 -7.233 -12.043 8.081 595 HE1 MET 95 3HE MET 95 -8.363 -13.738 9.746 596 HE2 MET 95 1HE MET 95 -8.496 -12.245 10.677 597 HE3 MET 95 2HE MET 95 -7.943 -13.726 11.459 598 H ASP 96 H ASP 96 -6.053 -12.965 5.378 599 HA ASP 96 HA ASP 96 -6.056 -11.219 3.922 600 HB2 ASP 96 2HB ASP 96 -8.266 -12.814 3.255 601 HB3 ASP 96 1HB ASP 96 -8.867 -11.159 3.230 602 H LEU 97 H LEU 97 -5.662 -9.536 5.311 603 HA LEU 97 HA LEU 97 -7.930 -8.230 6.611 604 HB2 LEU 97 2HB LEU 97 -5.100 -8.483 7.154 605 HB3 LEU 97 1HB LEU 97 -5.591 -6.800 7.186 606 HG LEU 97 HG LEU 97 -7.488 -7.618 8.753 607 HD11 LEU 97 1HD1 LEU 97 -5.511 -9.811 9.298 608 HD12 LEU 97 2HD1 LEU 97 -6.915 -10.042 8.256 609 HD13 LEU 97 3HD1 LEU 97 -7.137 -9.608 9.951 610 HD21 LEU 97 3HD2 LEU 97 -4.625 -7.125 9.322 611 HD22 LEU 97 1HD2 LEU 97 -5.618 -7.732 10.647 612 HD23 LEU 97 2HD2 LEU 97 -6.055 -6.230 9.834 613 H LEU 98 H LEU 98 -8.822 -7.478 4.577 614 HA LEU 98 HA LEU 98 -7.319 -5.459 3.128 615 HB2 LEU 98 2HB LEU 98 -10.060 -6.650 2.754 616 HB3 LEU 98 1HB LEU 98 -9.461 -5.326 1.772 617 HG LEU 98 HG LEU 98 -7.723 -7.717 1.923 618 HD11 LEU 98 1HD1 LEU 98 -10.486 -7.760 0.812 619 HD12 LEU 98 2HD1 LEU 98 -9.581 -9.028 1.637 620 HD13 LEU 98 3HD1 LEU 98 -9.205 -8.622 -0.037 621 HD21 LEU 98 3HD2 LEU 98 -7.934 -7.100 -0.663 622 HD22 LEU 98 1HD2 LEU 98 -6.849 -6.246 0.434 623 HD23 LEU 98 2HD2 LEU 98 -8.419 -5.552 0.029 624 H LYS 99 H LYS 99 -9.774 -5.661 5.565 625 HA LYS 99 HA LYS 99 -11.034 -3.199 5.316 626 HB2 LYS 99 2HB LYS 99 -10.342 -4.653 7.874 627 HB3 LYS 99 1HB LYS 99 -11.567 -3.403 7.699 628 HG2 LYS 99 2HG LYS 99 -12.987 -4.788 6.490 629 HG3 LYS 99 1HG LYS 99 -11.693 -5.912 6.074 630 HD2 LYS 99 2HD LYS 99 -13.138 -6.899 7.750 631 HD3 LYS 99 1HD LYS 99 -11.545 -6.581 8.441 632 HE2 LYS 99 2HE LYS 99 -12.323 -4.715 9.644 633 HE3 LYS 99 1HE LYS 99 -13.815 -4.633 8.708 634 HZ1 LYS 99 3HZ LYS 99 -14.027 -7.067 9.749 635 HZ2 LYS 99 1HZ LYS 99 -14.638 -5.681 10.505 636 HZ3 LYS 99 2HZ LYS 99 -13.143 -6.314 10.979 637 H GLN 100 H GLN 100 -7.824 -3.931 6.387 638 HA GLN 100 HA GLN 100 -7.429 -1.417 7.739 639 HB2 GLN 100 2HB GLN 100 -5.001 -2.163 7.728 640 HB3 GLN 100 1HB GLN 100 -6.131 -3.202 8.584 641 HG2 GLN 100 2HG GLN 100 -6.036 -4.858 6.967 642 HG3 GLN 100 1HG GLN 100 -5.416 -3.758 5.737 643 HE21 GLN 100 1HE2 GLN 100 -3.296 -2.607 6.786 644 HE22 GLN 100 2HE2 GLN 100 -2.099 -3.760 7.256 645 H ALA 101 H ALA 101 -6.699 -2.791 4.582 646 HA ALA 101 HA ALA 101 -5.013 -0.751 3.636 647 HB1 ALA 101 1HB ALA 101 -4.879 -2.467 2.182 648 HB2 ALA 101 2HB ALA 101 -6.197 -1.625 1.368 649 HB3 ALA 101 3HB ALA 101 -6.548 -2.967 2.457 650 H LEU 102 H LEU 102 -8.521 -1.125 3.597 651 HA LEU 102 HA LEU 102 -8.973 1.257 2.059 652 HB2 LEU 102 2HB LEU 102 -10.642 -0.791 3.403 653 HB3 LEU 102 1HB LEU 102 -11.371 0.788 3.180 654 HG LEU 102 HG LEU 102 -10.074 -0.384 0.794 655 HD11 LEU 102 1HD1 LEU 102 -12.693 -1.452 1.835 656 HD12 LEU 102 2HD1 LEU 102 -11.170 -2.341 1.811 657 HD13 LEU 102 3HD1 LEU 102 -11.928 -1.851 0.296 658 HD21 LEU 102 3HD2 LEU 102 -11.866 0.680 -0.343 659 HD22 LEU 102 1HD2 LEU 102 -11.308 1.804 0.897 660 HD23 LEU 102 2HD2 LEU 102 -12.785 0.874 1.150 661 H LEU 103 H LEU 103 -8.735 0.446 5.441 662 HA LEU 103 HA LEU 103 -9.900 2.878 6.401 663 HB2 LEU 103 2HB LEU 103 -8.837 0.435 7.522 664 HB3 LEU 103 1HB LEU 103 -8.249 1.830 8.408 665 HG LEU 103 HG LEU 103 -11.018 2.241 8.042 666 HD11 LEU 103 1HD1 LEU 103 -11.712 0.124 9.396 667 HD12 LEU 103 2HD1 LEU 103 -10.302 -0.596 8.619 668 HD13 LEU 103 3HD1 LEU 103 -11.613 0.058 7.636 669 HD21 LEU 103 3HD2 LEU 103 -9.596 1.277 10.516 670 HD22 LEU 103 1HD2 LEU 103 -11.074 2.234 10.429 671 HD23 LEU 103 2HD2 LEU 103 -9.536 2.939 9.929 672 H ILE 104 H ILE 104 -6.712 1.852 5.451 673 HA ILE 104 HA ILE 104 -5.381 4.065 6.720 674 HB ILE 104 HB ILE 104 -4.198 1.947 6.421 675 HG12 ILE 104 2HG1 ILE 104 -2.110 2.856 5.413 676 HG13 ILE 104 1HG1 ILE 104 -3.030 4.240 4.827 677 HG21 ILE 104 1HG2 ILE 104 -4.567 2.504 3.487 678 HG22 ILE 104 2HG2 ILE 104 -5.117 1.107 4.406 679 HG23 ILE 104 3HG2 ILE 104 -3.399 1.344 4.120 680 HD11 ILE 104 3HD1 ILE 104 -3.531 4.003 7.596 681 HD12 ILE 104 1HD1 ILE 104 -2.655 5.273 6.742 682 HD13 ILE 104 2HD1 ILE 104 -1.794 3.860 7.350 683 H LEU 105 H LEU 105 -6.519 3.265 3.479 684 HA LEU 105 HA LEU 105 -5.338 5.593 2.278 685 HB2 LEU 105 2HB LEU 105 -6.665 4.974 0.291 686 HB3 LEU 105 1HB LEU 105 -5.690 3.650 0.901 687 HG LEU 105 HG LEU 105 -7.902 2.970 2.137 688 HD11 LEU 105 1HD1 LEU 105 -9.578 3.700 0.014 689 HD12 LEU 105 2HD1 LEU 105 -8.755 5.174 0.515 690 HD13 LEU 105 3HD1 LEU 105 -9.670 4.233 1.692 691 HD21 LEU 105 3HD2 LEU 105 -6.774 2.379 -0.461 692 HD22 LEU 105 1HD2 LEU 105 -8.520 2.124 -0.436 693 HD23 LEU 105 2HD2 LEU 105 -7.491 1.295 0.730 694 H HIS 106 H HIS 106 -8.496 4.709 3.548 695 HA HIS 106 HA HIS 106 -9.840 7.044 2.638 696 HB2 HIS 106 2HB HIS 106 -10.850 4.791 3.392 697 HB3 HIS 106 1HB HIS 106 -10.685 5.424 5.027 698 HD1 HIS 106 1HD HIS 106 -13.296 5.374 5.233 699 HD2 HIS 106 2HD HIS 106 -11.819 7.960 2.334 700 HE1 HIS 106 1HE HIS 106 -15.223 6.873 4.623 701 HE2 HIS 106 2HE HIS 106 -14.332 8.360 2.797 702 H ASN 107 H ASN 107 -8.486 6.086 5.787 703 HA ASN 107 HA ASN 107 -9.156 8.414 7.186 704 HB2 ASN 107 2HB ASN 107 -7.046 6.317 7.544 705 HB3 ASN 107 1HB ASN 107 -7.051 7.736 8.580 706 HD21 ASN 107 1HD2 ASN 107 -7.711 6.943 10.471 707 HD22 ASN 107 2HD2 ASN 107 -9.183 6.093 10.737 708 H ASP 108 H ASP 108 -6.132 7.571 5.503 709 HA ASP 108 HA ASP 108 -4.748 9.937 6.020 710 HB2 ASP 108 2HB ASP 108 -4.036 7.672 4.851 711 HB3 ASP 108 1HB ASP 108 -4.393 8.578 3.384 712 H LEU 109 H LEU 109 -7.278 9.239 3.737 713 HA LEU 109 HA LEU 109 -6.875 11.764 2.339 714 HB2 LEU 109 2HB LEU 109 -7.324 9.840 0.966 715 HB3 LEU 109 1HB LEU 109 -8.789 9.495 1.861 716 HG LEU 109 HG LEU 109 -9.680 11.716 1.047 717 HD11 LEU 109 1HD1 LEU 109 -7.604 12.784 0.459 718 HD12 LEU 109 2HD1 LEU 109 -8.614 12.640 -0.975 719 HD13 LEU 109 3HD1 LEU 109 -7.261 11.534 -0.738 720 HD21 LEU 109 3HD2 LEU 109 -10.741 10.172 -0.181 721 HD22 LEU 109 1HD2 LEU 109 -9.273 9.247 -0.463 722 HD23 LEU 109 2HD2 LEU 109 -9.635 10.646 -1.469 723 H HIS 110 H HIS 110 -8.710 10.492 4.911 724 HA HIS 110 HA HIS 110 -11.110 11.864 4.743 725 HB2 HIS 110 2HB HIS 110 -9.986 10.181 6.562 726 HB3 HIS 110 1HB HIS 110 -9.944 11.702 7.448 727 HD1 HIS 110 1HD HIS 110 -11.748 9.472 8.451 728 HD2 HIS 110 2HD HIS 110 -13.005 12.411 5.797 729 HE1 HIS 110 1HE HIS 110 -14.249 9.568 8.692 730 HE2 HIS 110 2HE HIS 110 -14.995 11.289 7.010 731 H GLU 111 H GLU 111 -7.957 13.115 5.276 732 HA GLU 111 HA GLU 111 -8.764 15.491 6.667 733 HB2 GLU 111 2HB GLU 111 -6.211 14.669 5.284 734 HB3 GLU 111 1HB GLU 111 -6.421 16.244 6.030 735 HG2 GLU 111 2HG GLU 111 -5.973 15.426 8.033 736 HG3 GLU 111 1HG GLU 111 -7.204 14.177 7.858 737 H TYR 112 H TYR 112 -9.431 14.583 3.584 738 HA TYR 112 HA TYR 112 -9.690 17.359 2.746 739 HB2 TYR 112 2HB TYR 112 -8.115 15.260 1.304 740 HB3 TYR 112 1HB TYR 112 -8.937 16.530 0.389 741 HD1 TYR 112 2HD TYR 112 -8.436 18.974 1.190 742 HD2 TYR 112 1HD TYR 112 -5.976 15.628 2.084 743 HE1 TYR 112 2HE TYR 112 -6.550 20.486 1.609 744 HE2 TYR 112 1HE TYR 112 -4.076 17.134 2.508 745 HH TYR 112 HH TYR 112 -3.330 19.355 1.990 746 H VAL 113 H VAL 113 -10.300 13.971 1.845 747 HA VAL 113 HA VAL 113 -12.454 14.481 0.124 748 HB VAL 113 HB VAL 113 -11.276 12.319 0.198 749 HG11 VAL 113 1HG1 VAL 113 -12.878 11.472 2.553 750 HG12 VAL 113 2HG1 VAL 113 -11.405 12.402 2.829 751 HG13 VAL 113 3HG1 VAL 113 -11.335 10.863 1.960 752 HG21 VAL 113 3HG2 VAL 113 -13.280 10.888 -0.015 753 HG22 VAL 113 1HG2 VAL 113 -13.440 12.420 -0.871 754 HG23 VAL 113 2HG2 VAL 113 -14.253 12.186 0.677 755 H GLU 114 H GLU 114 -14.079 15.728 0.797 756 HA GLU 114 HA GLU 114 -15.700 14.762 3.035 757 HB2 GLU 114 2HB GLU 114 -14.427 17.429 2.771 758 HB3 GLU 114 1HB GLU 114 -16.079 17.391 3.377 759 HG2 GLU 114 2HG GLU 114 -14.895 15.447 4.867 760 HG3 GLU 114 1HG GLU 114 -13.576 16.596 4.663 Start of MODEL 11 1 H THR 26 H THR 26 -13.003 -15.298 -6.699 2 HA THR 26 HA THR 26 -11.638 -13.386 -4.971 3 HB THR 26 HB THR 26 -10.472 -15.766 -4.395 4 HG1 THR 26 1HG THR 26 -12.128 -17.336 -4.483 5 HG21 THR 26 3HG2 THR 26 -13.084 -14.712 -3.354 6 HG22 THR 26 1HG2 THR 26 -11.472 -14.485 -2.675 7 HG23 THR 26 2HG2 THR 26 -12.225 -16.079 -2.644 8 H SER 27 H SER 27 -9.185 -13.977 -4.676 9 HA SER 27 HA SER 27 -7.074 -14.242 -5.544 10 HB2 SER 27 2HB SER 27 -8.387 -15.830 -7.253 11 HB3 SER 27 1HB SER 27 -7.960 -14.530 -8.366 12 H LYS 28 H LYS 28 -9.445 -12.068 -6.705 13 HA LYS 28 HA LYS 28 -7.316 -10.179 -7.401 14 HB2 LYS 28 2HB LYS 28 -9.574 -11.075 -9.075 15 HB3 LYS 28 1HB LYS 28 -9.303 -9.338 -9.043 16 HG2 LYS 28 2HG LYS 28 -7.087 -11.280 -9.608 17 HG3 LYS 28 1HG LYS 28 -8.154 -10.672 -10.876 18 HD2 LYS 28 2HD LYS 28 -7.464 -8.359 -9.659 19 HD3 LYS 28 1HD LYS 28 -6.003 -9.313 -9.389 20 HE2 LYS 28 2HE LYS 28 -5.901 -9.792 -11.804 21 HE3 LYS 28 1HE LYS 28 -7.323 -8.778 -12.049 22 HZ1 LYS 28 3HZ LYS 28 -4.907 -7.836 -12.335 23 HZ2 LYS 28 1HZ LYS 28 -5.026 -7.610 -10.662 24 HZ3 LYS 28 2HZ LYS 28 -6.148 -6.880 -11.696 25 H GLN 29 H GLN 29 -7.446 -8.314 -6.358 26 HA GLN 29 HA GLN 29 -10.029 -7.237 -5.566 27 HB2 GLN 29 2HB GLN 29 -7.903 -8.107 -3.624 28 HB3 GLN 29 1HB GLN 29 -9.000 -6.785 -3.226 29 HG2 GLN 29 2HG GLN 29 -9.931 -9.524 -4.046 30 HG3 GLN 29 1HG GLN 29 -9.665 -9.041 -2.371 31 HE21 GLN 29 1HE2 GLN 29 -11.440 -8.476 -1.361 32 HE22 GLN 29 2HE2 GLN 29 -12.827 -7.722 -2.065 33 H GLU 30 H GLU 30 -10.055 -5.031 -5.400 34 HA GLU 30 HA GLU 30 -7.495 -3.629 -5.686 35 HB2 GLU 30 2HB GLU 30 -8.224 -2.357 -7.531 36 HB3 GLU 30 1HB GLU 30 -8.680 -4.014 -7.903 37 HG2 GLU 30 2HG GLU 30 -10.678 -3.172 -8.390 38 HG3 GLU 30 1HG GLU 30 -10.915 -3.073 -6.646 39 H LEU 31 H LEU 31 -7.329 -1.742 -4.602 40 HA LEU 31 HA LEU 31 -9.758 -0.598 -3.412 41 HB2 LEU 31 2HB LEU 31 -7.416 -1.726 -2.036 42 HB3 LEU 31 1HB LEU 31 -7.896 -0.138 -1.468 43 HG LEU 31 HG LEU 31 -9.739 -2.525 -1.615 44 HD11 LEU 31 1HD1 LEU 31 -8.380 -1.306 0.782 45 HD12 LEU 31 2HD1 LEU 31 -7.941 -2.839 0.029 46 HD13 LEU 31 3HD1 LEU 31 -9.520 -2.651 0.792 47 HD21 LEU 31 3HD2 LEU 31 -10.346 -0.232 0.119 48 HD22 LEU 31 1HD2 LEU 31 -11.409 -1.198 -0.903 49 HD23 LEU 31 2HD2 LEU 31 -10.436 0.091 -1.613 50 H ILE 32 H ILE 32 -9.929 1.399 -4.155 51 HA ILE 32 HA ILE 32 -7.658 2.848 -5.164 52 HB ILE 32 HB ILE 32 -9.322 4.658 -5.590 53 HG12 ILE 32 2HG1 ILE 32 -11.664 3.000 -5.219 54 HG13 ILE 32 1HG1 ILE 32 -10.832 3.245 -3.688 55 HG21 ILE 32 1HG2 ILE 32 -8.804 2.514 -7.039 56 HG22 ILE 32 2HG2 ILE 32 -10.041 3.676 -7.518 57 HG23 ILE 32 3HG2 ILE 32 -10.503 2.176 -6.711 58 HD11 ILE 32 3HD1 ILE 32 -12.297 5.010 -3.741 59 HD12 ILE 32 1HD1 ILE 32 -12.113 5.245 -5.480 60 HD13 ILE 32 2HD1 ILE 32 -10.821 5.735 -4.383 61 H LEU 33 H LEU 33 -6.860 4.829 -4.417 62 HA LEU 33 HA LEU 33 -7.641 5.603 -1.695 63 HB2 LEU 33 2HB LEU 33 -5.462 4.209 -1.925 64 HB3 LEU 33 1HB LEU 33 -4.774 5.699 -2.554 65 HG LEU 33 HG LEU 33 -6.202 5.880 0.040 66 HD11 LEU 33 1HD1 LEU 33 -4.867 3.765 0.159 67 HD12 LEU 33 2HD1 LEU 33 -4.391 5.007 1.317 68 HD13 LEU 33 3HD1 LEU 33 -3.424 4.734 -0.132 69 HD21 LEU 33 3HD2 LEU 33 -3.962 7.200 -1.388 70 HD22 LEU 33 1HD2 LEU 33 -3.928 7.199 0.374 71 HD23 LEU 33 2HD2 LEU 33 -5.302 7.905 -0.482 72 H VAL 34 H VAL 34 -7.155 7.794 -1.142 73 HA VAL 34 HA VAL 34 -6.982 10.045 -1.509 74 HB VAL 34 HB VAL 34 -5.931 9.445 -4.272 75 HG11 VAL 34 1HG1 VAL 34 -4.984 11.723 -2.646 76 HG12 VAL 34 2HG1 VAL 34 -6.630 11.810 -3.269 77 HG13 VAL 34 3HG1 VAL 34 -5.279 11.610 -4.380 78 HG21 VAL 34 3HG2 VAL 34 -4.463 8.201 -2.960 79 HG22 VAL 34 1HG2 VAL 34 -4.543 9.343 -1.619 80 HG23 VAL 34 2HG2 VAL 34 -3.664 9.769 -3.085 81 H LEU 35 H LEU 35 -8.524 11.454 -2.009 82 HA LEU 35 HA LEU 35 -10.269 10.889 -4.300 83 HB2 LEU 35 2HB LEU 35 -11.028 10.439 -1.740 84 HB3 LEU 35 1HB LEU 35 -11.477 12.135 -1.900 85 HG LEU 35 HG LEU 35 -13.413 10.890 -2.434 86 HD11 LEU 35 1HD1 LEU 35 -13.615 11.288 -4.959 87 HD12 LEU 35 2HD1 LEU 35 -11.975 11.929 -4.847 88 HD13 LEU 35 3HD1 LEU 35 -13.278 12.674 -3.927 89 HD21 LEU 35 3HD2 LEU 35 -12.944 8.717 -2.859 90 HD22 LEU 35 1HD2 LEU 35 -11.495 9.100 -3.785 91 HD23 LEU 35 2HD2 LEU 35 -13.085 9.263 -4.530 92 H LYS 36 H LYS 36 -9.472 13.344 -1.838 93 HA LYS 36 HA LYS 36 -8.887 15.322 -3.799 94 HB2 LYS 36 2HB LYS 36 -11.614 15.129 -2.784 95 HB3 LYS 36 1HB LYS 36 -10.899 16.710 -2.504 96 HG2 LYS 36 2HG LYS 36 -10.212 16.218 -5.094 97 HG3 LYS 36 1HG LYS 36 -11.802 15.470 -4.984 98 HD2 LYS 36 2HD LYS 36 -12.773 17.525 -4.193 99 HD3 LYS 36 1HD LYS 36 -11.187 18.286 -4.106 100 HE2 LYS 36 2HE LYS 36 -11.181 17.540 -6.678 101 HE3 LYS 36 1HE LYS 36 -12.919 17.728 -6.443 102 HZ1 LYS 36 3HZ LYS 36 -10.790 19.756 -6.266 103 HZ2 LYS 36 1HZ LYS 36 -12.240 19.981 -5.415 104 HZ3 LYS 36 2HZ LYS 36 -12.266 19.822 -7.094 105 H GLY 37 H GLY 37 -7.022 15.751 -2.702 106 HA2 GLY 37 2HA GLY 37 -7.245 17.415 -0.367 107 HA3 GLY 37 1HA GLY 37 -6.521 15.857 -0.026 108 H GLU 38 H GLU 38 -4.635 15.257 -1.422 109 HA GLU 38 HA GLU 38 -2.767 17.436 -1.434 110 HB2 GLU 38 2HB GLU 38 -2.625 14.499 -1.898 111 HB3 GLU 38 1HB GLU 38 -1.317 15.497 -2.498 112 HG2 GLU 38 2HG GLU 38 -0.448 15.764 -0.473 113 HG3 GLU 38 1HG GLU 38 -2.016 16.140 0.234 114 H LEU 39 H LEU 39 -1.659 18.282 -3.206 115 HA LEU 39 HA LEU 39 -2.677 17.597 -5.862 116 HB2 LEU 39 2HB LEU 39 -2.781 20.232 -4.498 117 HB3 LEU 39 1HB LEU 39 -2.402 20.224 -6.206 118 HG LEU 39 HG LEU 39 -4.566 18.685 -6.301 119 HD11 LEU 39 1HD1 LEU 39 -6.250 19.479 -4.720 120 HD12 LEU 39 2HD1 LEU 39 -5.016 20.419 -3.878 121 HD13 LEU 39 3HD1 LEU 39 -4.925 18.651 -3.898 122 HD21 LEU 39 3HD2 LEU 39 -4.720 20.500 -7.651 123 HD22 LEU 39 1HD2 LEU 39 -4.165 21.613 -6.395 124 HD23 LEU 39 2HD2 LEU 39 -5.826 21.027 -6.378 125 H ASP 40 H ASP 40 -0.341 19.736 -4.229 126 HA ASP 40 HA ASP 40 1.501 19.844 -6.331 127 HB2 ASP 40 2HB ASP 40 1.303 20.898 -3.732 128 HB3 ASP 40 1HB ASP 40 2.819 20.009 -3.765 129 H LEU 41 H LEU 41 2.139 18.175 -3.246 130 HA LEU 41 HA LEU 41 3.145 15.869 -4.740 131 HB2 LEU 41 2HB LEU 41 4.721 17.753 -3.173 132 HB3 LEU 41 1HB LEU 41 4.910 16.100 -2.613 133 HG LEU 41 HG LEU 41 6.625 16.776 -4.255 134 HD11 LEU 41 1HD1 LEU 41 6.410 14.491 -4.218 135 HD12 LEU 41 2HD1 LEU 41 6.046 14.829 -5.904 136 HD13 LEU 41 3HD1 LEU 41 4.737 14.527 -4.763 137 HD21 LEU 41 3HD2 LEU 41 4.676 16.616 -6.479 138 HD22 LEU 41 1HD2 LEU 41 6.174 17.553 -6.341 139 HD23 LEU 41 2HD2 LEU 41 4.701 18.114 -5.545 140 H HIS 42 H HIS 42 3.910 14.173 -2.940 141 HA HIS 42 HA HIS 42 2.181 14.152 -0.625 142 HB2 HIS 42 2HB HIS 42 1.447 11.732 -1.444 143 HB3 HIS 42 1HB HIS 42 0.526 13.165 -1.848 144 HD1 HIS 42 1HD HIS 42 2.300 10.363 -3.353 145 HD2 HIS 42 2HD HIS 42 1.039 14.131 -4.543 146 HE1 HIS 42 1HE HIS 42 2.386 10.335 -5.859 147 HE2 HIS 42 2HE HIS 42 1.548 12.606 -6.563 148 H SER 43 H SER 43 3.879 11.704 -2.582 149 HA SER 43 HA SER 43 5.652 10.353 -2.121 150 HB2 SER 43 2HB SER 43 6.153 11.990 0.372 151 HB3 SER 43 1HB SER 43 7.309 11.020 -0.541 152 HG SER 43 HG SER 43 7.257 12.511 -2.174 153 H LYS 44 H LYS 44 4.303 11.258 1.062 154 HA LYS 44 HA LYS 44 4.613 8.872 2.366 155 HB2 LYS 44 2HB LYS 44 2.833 11.191 2.640 156 HB3 LYS 44 1HB LYS 44 2.197 9.712 3.346 157 HG2 LYS 44 2HG LYS 44 4.931 10.804 3.952 158 HG3 LYS 44 1HG LYS 44 3.492 11.160 4.910 159 HD2 LYS 44 2HD LYS 44 4.402 8.351 4.345 160 HD3 LYS 44 1HD LYS 44 4.979 9.268 5.733 161 HE2 LYS 44 2HE LYS 44 2.063 8.825 5.151 162 HE3 LYS 44 1HE LYS 44 3.017 7.743 6.162 163 HZ1 LYS 44 3HZ LYS 44 3.152 10.565 6.824 164 HZ2 LYS 44 1HZ LYS 44 3.066 9.218 7.844 165 HZ3 LYS 44 2HZ LYS 44 1.666 9.821 7.111 166 H ASN 45 H ASN 45 2.310 9.641 -0.122 167 HA ASN 45 HA ASN 45 0.354 7.729 0.299 168 HB2 ASN 45 2HB ASN 45 1.351 9.265 -2.003 169 HB3 ASN 45 1HB ASN 45 0.553 7.755 -2.431 170 HD21 ASN 45 1HD2 ASN 45 -0.089 10.778 -2.480 171 HD22 ASN 45 2HD2 ASN 45 -1.711 10.833 -1.891 172 H MET 46 H MET 46 3.036 7.348 -2.029 173 HA MET 46 HA MET 46 2.701 4.611 -2.425 174 HB2 MET 46 2HB MET 46 4.928 4.616 -3.390 175 HB3 MET 46 1HB MET 46 4.063 6.073 -3.880 176 HG2 MET 46 2HG MET 46 5.422 6.747 -1.532 177 HG3 MET 46 1HG MET 46 6.554 5.797 -2.490 178 HE1 MET 46 3HE MET 46 7.846 6.405 -3.949 179 HE2 MET 46 1HE MET 46 8.251 8.093 -4.250 180 HE3 MET 46 2HE MET 46 7.305 7.193 -5.433 181 H LYS 47 H LYS 47 4.373 6.353 0.092 182 HA LYS 47 HA LYS 47 5.767 4.068 1.117 183 HB2 LYS 47 2HB LYS 47 5.192 6.766 2.356 184 HB3 LYS 47 1HB LYS 47 6.257 5.550 3.048 185 HG2 LYS 47 2HG LYS 47 6.650 6.876 0.374 186 HG3 LYS 47 1HG LYS 47 7.482 7.321 1.868 187 HD2 LYS 47 2HD LYS 47 8.248 4.882 1.953 188 HD3 LYS 47 1HD LYS 47 7.718 4.784 0.275 189 HE2 LYS 47 2HE LYS 47 9.299 6.340 -0.447 190 HE3 LYS 47 1HE LYS 47 9.581 6.938 1.188 191 HZ1 LYS 47 3HZ LYS 47 11.247 5.297 0.012 192 HZ2 LYS 47 1HZ LYS 47 10.197 4.134 0.650 193 HZ3 LYS 47 2HZ LYS 47 10.973 5.230 1.679 194 H ASN 48 H ASN 48 2.607 5.410 1.497 195 HA ASN 48 HA ASN 48 2.034 4.215 4.032 196 HB2 ASN 48 2HB ASN 48 0.862 6.233 3.070 197 HB3 ASN 48 1HB ASN 48 0.050 5.139 1.957 198 HD21 ASN 48 1HD2 ASN 48 -1.499 3.721 2.733 199 HD22 ASN 48 2HD2 ASN 48 -2.212 3.899 4.297 200 H VAL 49 H VAL 49 1.570 3.305 0.665 201 HA VAL 49 HA VAL 49 -0.013 0.993 1.273 202 HB VAL 49 HB VAL 49 1.500 1.501 -1.285 203 HG11 VAL 49 1HG1 VAL 49 -0.613 -0.376 -0.402 204 HG12 VAL 49 2HG1 VAL 49 0.691 -0.601 -1.567 205 HG13 VAL 49 3HG1 VAL 49 -0.761 0.289 -2.029 206 HG21 VAL 49 3HG2 VAL 49 0.147 3.470 -0.704 207 HG22 VAL 49 1HG2 VAL 49 -1.275 2.437 -0.560 208 HG23 VAL 49 2HG2 VAL 49 -0.481 2.633 -2.123 209 H ILE 50 H ILE 50 3.382 1.545 0.387 210 HA ILE 50 HA ILE 50 4.176 -1.133 0.270 211 HB ILE 50 HB ILE 50 5.558 0.734 -0.554 212 HG12 ILE 50 2HG1 ILE 50 7.746 -0.088 0.579 213 HG13 ILE 50 1HG1 ILE 50 6.697 -1.226 1.414 214 HG21 ILE 50 1HG2 ILE 50 6.271 1.272 2.319 215 HG22 ILE 50 2HG2 ILE 50 5.085 2.215 1.417 216 HG23 ILE 50 3HG2 ILE 50 6.767 2.177 0.889 217 HD11 ILE 50 3HD1 ILE 50 7.602 -2.319 -0.486 218 HD12 ILE 50 1HD1 ILE 50 7.152 -0.981 -1.544 219 HD13 ILE 50 2HD1 ILE 50 5.902 -1.993 -0.822 220 H ASN 51 H ASN 51 4.109 1.133 2.993 221 HA ASN 51 HA ASN 51 5.317 -0.591 4.873 222 HB2 ASN 51 2HB ASN 51 4.519 2.031 4.886 223 HB3 ASN 51 1HB ASN 51 3.332 1.288 5.955 224 HD21 ASN 51 1HD2 ASN 51 6.807 0.851 5.353 225 HD22 ASN 51 2HD2 ASN 51 7.279 0.982 7.006 226 H ASN 52 H ASN 52 1.882 0.221 4.362 227 HA ASN 52 HA ASN 52 0.856 -1.598 6.231 228 HB2 ASN 52 2HB ASN 52 -0.252 -0.105 3.904 229 HB3 ASN 52 1HB ASN 52 -1.201 -1.446 4.537 230 HD21 ASN 52 1HD2 ASN 52 -0.874 -1.334 7.173 231 HD22 ASN 52 2HD2 ASN 52 -1.439 0.168 7.813 232 H ALA 53 H ALA 53 1.399 -1.930 2.739 233 HA ALA 53 HA ALA 53 0.356 -4.494 2.408 234 HB1 ALA 53 1HB ALA 53 0.824 -3.381 0.427 235 HB2 ALA 53 2HB ALA 53 2.104 -4.593 0.499 236 HB3 ALA 53 3HB ALA 53 2.445 -2.923 0.950 237 H LYS 54 H LYS 54 3.411 -3.413 3.704 238 HA LYS 54 HA LYS 54 4.694 -5.968 3.632 239 HB2 LYS 54 2HB LYS 54 5.704 -3.546 3.852 240 HB3 LYS 54 1HB LYS 54 5.477 -3.832 5.571 241 HG2 LYS 54 2HG LYS 54 7.524 -4.716 5.474 242 HG3 LYS 54 1HG LYS 54 6.712 -6.128 4.810 243 HD2 LYS 54 2HD LYS 54 8.549 -5.606 3.376 244 HD3 LYS 54 1HD LYS 54 7.070 -5.163 2.531 245 HE2 LYS 54 2HE LYS 54 7.909 -3.132 2.233 246 HE3 LYS 54 1HE LYS 54 7.821 -2.888 3.978 247 HZ1 LYS 54 3HZ LYS 54 10.045 -2.475 3.097 248 HZ2 LYS 54 1HZ LYS 54 10.137 -4.067 2.540 249 HZ3 LYS 54 2HZ LYS 54 10.044 -3.761 4.196 250 H LYS 55 H LYS 55 2.758 -4.193 5.960 251 HA LYS 55 HA LYS 55 3.242 -5.773 8.223 252 HB2 LYS 55 2HB LYS 55 1.056 -3.939 7.357 253 HB3 LYS 55 1HB LYS 55 0.753 -4.993 8.731 254 HG2 LYS 55 2HG LYS 55 3.285 -3.494 8.772 255 HG3 LYS 55 1HG LYS 55 1.812 -2.545 8.947 256 HD2 LYS 55 2HD LYS 55 1.393 -4.704 10.620 257 HD3 LYS 55 1HD LYS 55 3.105 -4.346 10.832 258 HE2 LYS 55 2HE LYS 55 2.696 -2.361 11.830 259 HE3 LYS 55 1HE LYS 55 1.296 -2.019 10.818 260 HZ1 LYS 55 3HZ LYS 55 1.288 -3.995 13.031 261 HZ2 LYS 55 1HZ LYS 55 -0.045 -3.431 12.155 262 HZ3 LYS 55 2HZ LYS 55 0.773 -2.395 13.199 263 H ASN 56 H ASN 56 0.638 -5.981 5.803 264 HA ASN 56 HA ASN 56 -0.628 -8.247 6.853 265 HB2 ASN 56 2HB ASN 56 -0.464 -7.327 3.972 266 HB3 ASN 56 1HB ASN 56 -1.617 -8.508 4.603 267 HD21 ASN 56 1HD2 ASN 56 -0.984 -5.248 4.036 268 HD22 ASN 56 2HD2 ASN 56 -2.343 -4.581 4.871 269 H LEU 57 H LEU 57 1.680 -8.048 4.136 270 HA LEU 57 HA LEU 57 1.978 -10.714 3.568 271 HB2 LEU 57 2HB LEU 57 3.891 -8.410 3.480 272 HB3 LEU 57 1HB LEU 57 4.449 -10.029 3.076 273 HG LEU 57 HG LEU 57 1.998 -9.256 1.668 274 HD11 LEU 57 1HD1 LEU 57 4.136 -7.344 1.827 275 HD12 LEU 57 2HD1 LEU 57 2.588 -7.229 0.991 276 HD13 LEU 57 3HD1 LEU 57 3.976 -7.952 0.179 277 HD21 LEU 57 3HD2 LEU 57 4.595 -10.044 0.420 278 HD22 LEU 57 1HD2 LEU 57 2.947 -10.436 -0.071 279 HD23 LEU 57 2HD2 LEU 57 3.661 -11.230 1.333 280 H GLU 58 H GLU 58 4.034 -8.864 5.814 281 HA GLU 58 HA GLU 58 5.460 -11.056 6.812 282 HB2 GLU 58 2HB GLU 58 4.853 -8.334 7.947 283 HB3 GLU 58 1HB GLU 58 5.818 -9.506 8.833 284 HG2 GLU 58 2HG GLU 58 6.543 -8.782 6.029 285 HG3 GLU 58 1HG GLU 58 6.982 -7.722 7.364 286 H LYS 59 H LYS 59 2.303 -9.812 7.586 287 HA LYS 59 HA LYS 59 1.899 -10.924 10.109 288 HB2 LYS 59 2HB LYS 59 0.387 -9.376 8.617 289 HB3 LYS 59 1HB LYS 59 -0.314 -10.902 8.092 290 HG2 LYS 59 2HG LYS 59 -1.393 -11.221 10.032 291 HG3 LYS 59 1HG LYS 59 -0.054 -10.601 11.000 292 HD2 LYS 59 2HD LYS 59 -1.876 -8.840 9.371 293 HD3 LYS 59 1HD LYS 59 -2.170 -9.234 11.066 294 HE2 LYS 59 2HE LYS 59 0.539 -8.269 10.464 295 HE3 LYS 59 1HE LYS 59 -0.744 -7.090 10.201 296 HZ1 LYS 59 3HZ LYS 59 -0.083 -8.514 12.713 297 HZ2 LYS 59 1HZ LYS 59 -1.525 -7.654 12.500 298 HZ3 LYS 59 2HZ LYS 59 -0.040 -6.848 12.423 299 H TYR 60 H TYR 60 1.673 -12.359 6.906 300 HA TYR 60 HA TYR 60 0.658 -14.868 7.919 301 HB2 TYR 60 2HB TYR 60 1.794 -14.374 5.167 302 HB3 TYR 60 1HB TYR 60 0.630 -15.606 5.659 303 HD1 TYR 60 1HD TYR 60 -1.705 -14.928 6.225 304 HD2 TYR 60 2HD TYR 60 1.089 -12.199 4.537 305 HE1 TYR 60 1HE TYR 60 -3.555 -13.437 5.589 306 HE2 TYR 60 2HE TYR 60 -0.753 -10.701 3.897 307 HH TYR 60 HH TYR 60 -3.956 -11.128 5.046 308 H PHE 61 H PHE 61 3.731 -13.485 6.982 309 HA PHE 61 HA PHE 61 5.175 -15.949 6.968 310 HB2 PHE 61 2HB PHE 61 5.790 -13.679 5.855 311 HB3 PHE 61 1HB PHE 61 6.461 -13.274 7.438 312 HD1 PHE 61 1HD PHE 61 8.115 -15.016 8.440 313 HD2 PHE 61 2HD PHE 61 7.112 -14.762 4.313 314 HE1 PHE 61 1HE PHE 61 10.192 -16.202 7.867 315 HE2 PHE 61 2HE PHE 61 9.188 -15.949 3.731 316 HZ PHE 61 HZ PHE 61 10.731 -16.671 5.510 317 H LYS 62 H LYS 62 4.282 -13.637 9.405 318 HA LYS 62 HA LYS 62 6.159 -14.704 11.344 319 HB2 LYS 62 2HB LYS 62 5.669 -12.301 11.329 320 HB3 LYS 62 1HB LYS 62 3.973 -12.638 11.649 321 HG2 LYS 62 2HG LYS 62 4.811 -13.814 13.768 322 HG3 LYS 62 1HG LYS 62 6.326 -12.964 13.468 323 HD2 LYS 62 2HD LYS 62 4.545 -10.942 13.193 324 HD3 LYS 62 1HD LYS 62 3.729 -11.940 14.399 325 HE2 LYS 62 2HE LYS 62 6.592 -11.035 14.610 326 HE3 LYS 62 1HE LYS 62 5.236 -10.184 15.346 327 HZ1 LYS 62 3HZ LYS 62 4.722 -12.242 16.574 328 HZ2 LYS 62 1HZ LYS 62 6.246 -11.612 16.959 329 HZ3 LYS 62 2HZ LYS 62 6.116 -12.958 15.937 330 H GLU 63 H GLU 63 2.824 -15.082 10.450 331 HA GLU 63 HA GLU 63 2.252 -16.585 12.893 332 HB2 GLU 63 2HB GLU 63 0.715 -14.821 11.509 333 HB3 GLU 63 1HB GLU 63 0.153 -16.350 10.832 334 HG2 GLU 63 2HG GLU 63 -0.366 -17.159 13.069 335 HG3 GLU 63 1HG GLU 63 0.224 -15.649 13.761 336 H HIS 64 H HIS 64 2.102 -17.006 9.360 337 HA HIS 64 HA HIS 64 1.809 -19.885 9.744 338 HB2 HIS 64 2HB HIS 64 1.459 -18.077 7.370 339 HB3 HIS 64 1HB HIS 64 1.567 -19.824 7.178 340 HD1 HIS 64 1HD HIS 64 -0.114 -19.651 10.201 341 HD2 HIS 64 2HD HIS 64 -1.239 -18.728 6.309 342 HE1 HIS 64 1HE HIS 64 -2.627 -19.731 10.191 343 HE2 HIS 64 2HE HIS 64 -3.287 -19.082 7.848 344 H PHE 65 H PHE 65 4.334 -18.018 9.866 345 HA PHE 65 HA PHE 65 6.555 -18.161 9.364 346 HB2 PHE 65 2HB PHE 65 5.872 -20.451 10.496 347 HB3 PHE 65 1HB PHE 65 6.279 -21.098 8.903 348 HD1 PHE 65 1HD PHE 65 8.557 -21.043 8.085 349 HD2 PHE 65 2HD PHE 65 7.567 -19.525 11.936 350 HE1 PHE 65 1HE PHE 65 10.941 -21.048 8.696 351 HE2 PHE 65 2HE PHE 65 9.949 -19.526 12.553 352 HZ PHE 65 HZ PHE 65 11.639 -20.288 10.932 353 H LYS 66 H LYS 66 4.642 -17.855 7.109 354 HA LYS 66 HA LYS 66 6.550 -18.329 4.987 355 HB2 LYS 66 2HB LYS 66 5.072 -20.412 5.217 356 HB3 LYS 66 1HB LYS 66 3.761 -19.404 4.621 357 HG2 LYS 66 2HG LYS 66 4.413 -19.718 2.531 358 HG3 LYS 66 1HG LYS 66 6.026 -19.110 2.905 359 HD2 LYS 66 2HD LYS 66 6.206 -21.563 3.986 360 HD3 LYS 66 1HD LYS 66 5.039 -21.890 2.702 361 HE2 LYS 66 2HE LYS 66 7.283 -22.291 1.894 362 HE3 LYS 66 1HE LYS 66 6.589 -20.895 1.069 363 HZ1 LYS 66 3HZ LYS 66 8.962 -20.690 1.885 364 HZ2 LYS 66 1HZ LYS 66 8.322 -20.600 3.449 365 HZ3 LYS 66 2HZ LYS 66 7.910 -19.431 2.299 366 H GLU 67 H GLU 67 6.188 -17.050 3.148 367 HA GLU 67 HA GLU 67 4.605 -14.688 3.666 368 HB2 GLU 67 2HB GLU 67 6.976 -15.185 2.311 369 HB3 GLU 67 1HB GLU 67 5.828 -14.846 1.023 370 HG2 GLU 67 2HG GLU 67 5.359 -12.700 1.868 371 HG3 GLU 67 1HG GLU 67 6.148 -13.050 3.404 372 H PHE 68 H PHE 68 2.529 -14.588 3.151 373 HA PHE 68 HA PHE 68 1.636 -15.870 0.657 374 HB2 PHE 68 2HB PHE 68 0.617 -16.214 3.404 375 HB3 PHE 68 1HB PHE 68 -0.621 -15.942 2.182 376 HD1 PHE 68 2HD PHE 68 2.237 -18.115 3.082 377 HD2 PHE 68 1HD PHE 68 -1.277 -17.654 0.727 378 HE1 PHE 68 2HE PHE 68 2.370 -20.483 2.427 379 HE2 PHE 68 1HE PHE 68 -1.152 -20.021 0.069 380 HZ PHE 68 HZ PHE 68 0.675 -21.438 0.918 381 H ASP 69 H ASP 69 -0.548 -14.978 -0.050 382 HA ASP 69 HA ASP 69 -1.813 -13.226 -0.759 383 HB2 ASP 69 2HB ASP 69 -1.960 -13.011 1.865 384 HB3 ASP 69 1HB ASP 69 -0.994 -11.564 1.591 385 H LYS 70 H LYS 70 -1.366 -11.822 -2.332 386 HA LYS 70 HA LYS 70 1.186 -10.352 -2.189 387 HB2 LYS 70 2HB LYS 70 0.947 -12.164 -3.962 388 HB3 LYS 70 1HB LYS 70 -0.245 -11.123 -4.728 389 HG2 LYS 70 2HG LYS 70 1.318 -9.813 -5.621 390 HG3 LYS 70 1HG LYS 70 2.232 -9.730 -4.114 391 HD2 LYS 70 2HD LYS 70 2.294 -12.273 -5.659 392 HD3 LYS 70 1HD LYS 70 3.216 -10.899 -6.274 393 HE2 LYS 70 2HE LYS 70 4.569 -12.353 -4.827 394 HE3 LYS 70 1HE LYS 70 4.412 -10.724 -4.173 395 HZ1 LYS 70 3HZ LYS 70 2.823 -11.473 -2.600 396 HZ2 LYS 70 1HZ LYS 70 4.127 -12.549 -2.524 397 HZ3 LYS 70 2HZ LYS 70 2.705 -12.995 -3.324 398 H ILE 71 H ILE 71 1.248 -8.223 -3.042 399 HA ILE 71 HA ILE 71 -1.307 -6.973 -3.687 400 HB ILE 71 HB ILE 71 -1.103 -6.752 -1.253 401 HG12 ILE 71 2HG1 ILE 71 -2.089 -4.947 -2.783 402 HG13 ILE 71 1HG1 ILE 71 -1.696 -4.477 -1.135 403 HG21 ILE 71 1HG2 ILE 71 0.801 -6.304 -0.224 404 HG22 ILE 71 2HG2 ILE 71 1.018 -4.817 -1.148 405 HG23 ILE 71 3HG2 ILE 71 1.602 -6.350 -1.794 406 HD11 ILE 71 3HD1 ILE 71 -0.424 -3.681 -3.697 407 HD12 ILE 71 1HD1 ILE 71 0.562 -3.717 -2.236 408 HD13 ILE 71 2HD1 ILE 71 -0.876 -2.701 -2.305 409 H SER 72 H SER 72 -1.101 -5.607 -5.309 410 HA SER 72 HA SER 72 1.568 -4.517 -5.905 411 HB2 SER 72 2HB SER 72 0.049 -6.134 -7.534 412 HB3 SER 72 1HB SER 72 -0.383 -4.523 -8.106 413 HG SER 72 HG SER 72 1.600 -4.227 -8.821 414 H TYR 73 H TYR 73 1.701 -2.420 -5.488 415 HA TYR 73 HA TYR 73 -0.750 -0.810 -5.681 416 HB2 TYR 73 2HB TYR 73 -0.074 0.442 -3.863 417 HB3 TYR 73 1HB TYR 73 0.583 -1.126 -3.450 418 HD1 TYR 73 1HD TYR 73 3.045 -1.551 -3.839 419 HD2 TYR 73 2HD TYR 73 1.310 2.322 -4.127 420 HE1 TYR 73 1HE TYR 73 5.277 -0.541 -3.613 421 HE2 TYR 73 2HE TYR 73 3.535 3.343 -3.905 422 HH TYR 73 HH TYR 73 6.387 1.636 -4.259 423 H ASP 74 H ASP 74 -0.584 1.348 -6.482 424 HA ASP 74 HA ASP 74 1.815 2.213 -7.803 425 HB2 ASP 74 2HB ASP 74 0.476 0.442 -9.288 426 HB3 ASP 74 1HB ASP 74 -0.440 1.881 -9.715 427 H ILE 75 H ILE 75 1.682 4.336 -8.627 428 HA ILE 75 HA ILE 75 -0.603 5.850 -7.567 429 HB ILE 75 HB ILE 75 2.123 6.929 -8.293 430 HG12 ILE 75 2HG1 ILE 75 2.031 7.081 -5.592 431 HG13 ILE 75 1HG1 ILE 75 1.106 5.606 -5.842 432 HG21 ILE 75 1HG2 ILE 75 -0.354 8.082 -7.100 433 HG22 ILE 75 2HG2 ILE 75 0.752 8.767 -8.297 434 HG23 ILE 75 3HG2 ILE 75 1.214 8.712 -6.593 435 HD11 ILE 75 3HD1 ILE 75 3.956 6.169 -6.538 436 HD12 ILE 75 1HD1 ILE 75 3.065 4.850 -7.297 437 HD13 ILE 75 2HD1 ILE 75 3.289 4.872 -5.551 438 H SER 76 H SER 76 -1.434 7.632 -8.788 439 HA SER 76 HA SER 76 -0.929 7.422 -11.685 440 HB2 SER 76 2HB SER 76 -3.594 8.201 -10.508 441 HB3 SER 76 1HB SER 76 -3.231 7.690 -12.158 442 HG SER 76 HG SER 76 -3.775 5.784 -11.464 443 H THR 77 H THR 77 0.138 9.182 -12.300 444 HA THR 77 HA THR 77 -0.133 11.682 -10.887 445 HB THR 77 HB THR 77 1.329 11.650 -13.454 446 HG1 THR 77 1HG THR 77 2.143 10.035 -11.274 447 HG21 THR 77 3HG2 THR 77 1.861 13.507 -12.225 448 HG22 THR 77 1HG2 THR 77 3.166 12.409 -11.779 449 HG23 THR 77 2HG2 THR 77 1.800 12.645 -10.692 450 HA PRO 78 HA PRO 78 -1.776 12.833 -15.469 451 HB2 PRO 78 2HB PRO 78 -3.255 10.246 -15.708 452 HB3 PRO 78 1HB PRO 78 -2.566 11.269 -16.975 453 HG2 PRO 78 2HG PRO 78 -1.324 9.045 -16.214 454 HG3 PRO 78 1HG PRO 78 -0.406 10.510 -16.599 455 HD2 PRO 78 2HD PRO 78 -1.004 9.292 -13.949 456 HD3 PRO 78 1HD PRO 78 0.415 10.216 -14.472 457 H ILE 79 H ILE 79 -3.344 10.993 -12.927 458 HA ILE 79 HA ILE 79 -5.569 12.907 -13.008 459 HB ILE 79 HB ILE 79 -5.922 10.004 -12.293 460 HG12 ILE 79 2HG1 ILE 79 -6.794 11.304 -14.873 461 HG13 ILE 79 1HG1 ILE 79 -5.266 10.442 -14.722 462 HG21 ILE 79 1HG2 ILE 79 -7.748 10.937 -11.348 463 HG22 ILE 79 2HG2 ILE 79 -8.353 10.908 -13.005 464 HG23 ILE 79 3HG2 ILE 79 -7.646 12.388 -12.353 465 HD11 ILE 79 3HD1 ILE 79 -6.256 8.432 -14.746 466 HD12 ILE 79 1HD1 ILE 79 -7.568 9.311 -15.524 467 HD13 ILE 79 2HD1 ILE 79 -7.638 8.974 -13.798 468 H ASN 80 H ASN 80 -3.003 12.270 -11.314 469 HA ASN 80 HA ASN 80 -2.367 12.227 -9.118 470 HB2 ASN 80 2HB ASN 80 -3.330 14.020 -7.786 471 HB3 ASN 80 1HB ASN 80 -3.071 14.559 -9.447 472 HD21 ASN 80 1HD2 ASN 80 -4.821 15.030 -10.734 473 HD22 ASN 80 2HD2 ASN 80 -6.428 15.164 -10.127 474 H PHE 81 H PHE 81 -4.264 10.144 -9.836 475 HA PHE 81 HA PHE 81 -5.703 9.802 -7.283 476 HB2 PHE 81 2HB PHE 81 -6.968 9.726 -9.510 477 HB3 PHE 81 1HB PHE 81 -6.150 8.192 -9.795 478 HD1 PHE 81 2HD PHE 81 -8.534 9.957 -7.607 479 HD2 PHE 81 1HD PHE 81 -6.850 6.211 -8.710 480 HE1 PHE 81 2HE PHE 81 -10.271 8.791 -6.316 481 HE2 PHE 81 1HE PHE 81 -8.586 5.045 -7.427 482 HZ PHE 81 HZ PHE 81 -10.300 6.334 -6.225 483 H LEU 82 H LEU 82 -5.853 7.477 -6.545 484 HA LEU 82 HA LEU 82 -3.289 6.113 -7.035 485 HB2 LEU 82 2HB LEU 82 -4.114 7.251 -4.657 486 HB3 LEU 82 1HB LEU 82 -4.502 5.554 -4.446 487 HG LEU 82 HG LEU 82 -2.115 5.036 -5.102 488 HD11 LEU 82 1HD1 LEU 82 -1.970 7.545 -5.989 489 HD12 LEU 82 2HD1 LEU 82 -0.559 6.650 -5.425 490 HD13 LEU 82 3HD1 LEU 82 -1.362 7.798 -4.353 491 HD21 LEU 82 3HD2 LEU 82 -2.496 6.719 -2.629 492 HD22 LEU 82 1HD2 LEU 82 -1.244 5.505 -2.897 493 HD23 LEU 82 2HD2 LEU 82 -2.934 5.017 -2.776 494 H CYS 83 H CYS 83 -3.320 3.969 -7.412 495 HA CYS 83 HA CYS 83 -5.870 2.541 -7.092 496 HB2 CYS 83 2HB CYS 83 -5.154 3.355 -9.514 497 HB3 CYS 83 1HB CYS 83 -4.160 1.906 -9.454 498 HG CYS 83 HG CYS 83 -6.516 1.385 -10.510 499 H ILE 84 H ILE 84 -5.550 0.894 -5.748 500 HA ILE 84 HA ILE 84 -2.920 -0.425 -5.763 501 HB ILE 84 HB ILE 84 -4.922 -0.347 -3.508 502 HG12 ILE 84 2HG1 ILE 84 -4.075 1.810 -3.516 503 HG13 ILE 84 1HG1 ILE 84 -2.943 0.984 -2.449 504 HG21 ILE 84 1HG2 ILE 84 -3.227 -1.396 -2.164 505 HG22 ILE 84 2HG2 ILE 84 -2.086 -1.352 -3.506 506 HG23 ILE 84 3HG2 ILE 84 -3.515 -2.382 -3.597 507 HD11 ILE 84 3HD1 ILE 84 -2.534 2.140 -5.108 508 HD12 ILE 84 1HD1 ILE 84 -1.742 0.597 -4.807 509 HD13 ILE 84 2HD1 ILE 84 -1.419 1.972 -3.751 510 H PHE 85 H PHE 85 -3.287 -1.962 -7.309 511 HA PHE 85 HA PHE 85 -5.597 -3.697 -7.115 512 HB2 PHE 85 2HB PHE 85 -3.710 -2.995 -9.151 513 HB3 PHE 85 1HB PHE 85 -3.681 -4.742 -8.940 514 HD1 PHE 85 1HD PHE 85 -6.256 -5.661 -8.545 515 HD2 PHE 85 2HD PHE 85 -5.056 -2.295 -10.856 516 HE1 PHE 85 1HE PHE 85 -8.307 -5.858 -9.891 517 HE2 PHE 85 2HE PHE 85 -7.104 -2.485 -12.205 518 HZ PHE 85 HZ PHE 85 -8.733 -4.268 -11.723 519 H ILE 86 H ILE 86 -5.241 -4.598 -5.067 520 HA ILE 86 HA ILE 86 -2.847 -6.114 -4.523 521 HB ILE 86 HB ILE 86 -3.995 -4.940 -2.708 522 HG12 ILE 86 2HG1 ILE 86 -4.297 -7.890 -2.185 523 HG13 ILE 86 1HG1 ILE 86 -2.714 -7.151 -2.391 524 HG21 ILE 86 1HG2 ILE 86 -6.305 -5.450 -3.749 525 HG22 ILE 86 2HG2 ILE 86 -6.154 -5.370 -1.995 526 HG23 ILE 86 3HG2 ILE 86 -6.219 -6.935 -2.804 527 HD11 ILE 86 3HD1 ILE 86 -3.551 -7.454 -0.022 528 HD12 ILE 86 1HD1 ILE 86 -4.688 -6.151 -0.371 529 HD13 ILE 86 2HD1 ILE 86 -2.951 -5.852 -0.456 530 HA PRO 87 HA PRO 87 -4.833 -9.740 -6.396 531 HB2 PRO 87 2HB PRO 87 -2.266 -10.913 -6.787 532 HB3 PRO 87 1HB PRO 87 -3.288 -10.130 -7.996 533 HG2 PRO 87 2HG PRO 87 -0.843 -9.170 -7.097 534 HG3 PRO 87 1HG PRO 87 -2.080 -8.211 -7.927 535 HD2 PRO 87 2HD PRO 87 -1.463 -8.402 -5.012 536 HD3 PRO 87 1HD PRO 87 -1.972 -7.000 -5.971 537 H THR 88 H THR 88 -5.717 -11.100 -4.955 538 HA THR 88 HA THR 88 -4.033 -12.937 -3.518 539 HB THR 88 HB THR 88 -3.990 -10.978 -2.015 540 HG1 THR 88 1HG THR 88 -3.947 -13.079 -1.116 541 HG21 THR 88 3HG2 THR 88 -6.018 -9.853 -2.342 542 HG22 THR 88 1HG2 THR 88 -6.117 -10.529 -0.716 543 HG23 THR 88 2HG2 THR 88 -6.971 -11.307 -2.048 544 H LEU 89 H LEU 89 -5.090 -14.786 -2.899 545 HA LEU 89 HA LEU 89 -7.730 -15.159 -4.033 546 HB2 LEU 89 2HB LEU 89 -5.967 -16.822 -4.411 547 HB3 LEU 89 1HB LEU 89 -5.870 -17.115 -2.685 548 HG LEU 89 HG LEU 89 -8.267 -17.879 -2.767 549 HD11 LEU 89 1HD1 LEU 89 -9.362 -18.269 -4.782 550 HD12 LEU 89 2HD1 LEU 89 -7.880 -18.120 -5.727 551 HD13 LEU 89 3HD1 LEU 89 -8.620 -16.686 -5.016 552 HD21 LEU 89 3HD2 LEU 89 -5.956 -19.247 -4.020 553 HD22 LEU 89 1HD2 LEU 89 -7.544 -19.993 -4.211 554 HD23 LEU 89 2HD2 LEU 89 -6.902 -19.686 -2.597 555 H PHE 90 H PHE 90 -6.400 -14.480 -0.966 556 HA PHE 90 HA PHE 90 -7.310 -14.263 1.101 557 HB2 PHE 90 2HB PHE 90 -9.077 -12.978 0.294 558 HB3 PHE 90 1HB PHE 90 -9.769 -14.309 -0.621 559 HD1 PHE 90 2HD PHE 90 -8.914 -13.648 2.958 560 HD2 PHE 90 1HD PHE 90 -11.808 -14.999 0.145 561 HE1 PHE 90 2HE PHE 90 -10.496 -14.072 4.794 562 HE2 PHE 90 1HE PHE 90 -13.395 -15.425 1.976 563 HZ PHE 90 HZ PHE 90 -12.740 -14.963 4.305 564 H ASP 91 H ASP 91 -7.248 -15.702 2.669 565 HA ASP 91 HA ASP 91 -8.911 -17.857 3.087 566 HB2 ASP 91 2HB ASP 91 -7.077 -18.429 0.997 567 HB3 ASP 91 1HB ASP 91 -6.572 -19.371 2.400 568 H MET 92 H MET 92 -5.628 -16.637 3.347 569 HA MET 92 HA MET 92 -4.799 -18.068 5.602 570 HB2 MET 92 2HB MET 92 -4.035 -15.240 4.862 571 HB3 MET 92 1HB MET 92 -3.123 -16.335 5.900 572 HG2 MET 92 2HG MET 92 -1.965 -16.797 4.055 573 HG3 MET 92 1HG MET 92 -3.346 -17.804 3.624 574 HE1 MET 92 3HE MET 92 -4.864 -17.345 1.476 575 HE2 MET 92 1HE MET 92 -3.202 -17.881 1.225 576 HE3 MET 92 2HE MET 92 -3.883 -16.615 0.203 577 H ASN 93 H ASN 93 -6.122 -14.758 5.460 578 HA ASN 93 HA ASN 93 -6.314 -14.360 8.214 579 HB2 ASN 93 2HB ASN 93 -7.726 -13.170 5.850 580 HB3 ASN 93 1HB ASN 93 -8.229 -12.739 7.481 581 HD21 ASN 93 1HD2 ASN 93 -7.456 -10.678 6.181 582 HD22 ASN 93 2HD2 ASN 93 -5.845 -10.183 6.563 583 H ASN 94 H ASN 94 -8.320 -16.176 6.050 584 HA ASN 94 HA ASN 94 -10.212 -17.407 6.331 585 HB2 ASN 94 2HB ASN 94 -8.962 -17.533 9.068 586 HB3 ASN 94 1HB ASN 94 -10.458 -18.387 8.700 587 HD21 ASN 94 1HD2 ASN 94 -10.139 -19.406 6.291 588 HD22 ASN 94 2HD2 ASN 94 -8.780 -20.471 6.219 589 H MET 95 H MET 95 -10.383 -14.479 6.731 590 HA MET 95 HA MET 95 -13.076 -14.406 7.700 591 HB2 MET 95 2HB MET 95 -10.859 -13.554 9.439 592 HB3 MET 95 1HB MET 95 -12.160 -12.381 9.284 593 HG2 MET 95 2HG MET 95 -13.549 -13.584 10.541 594 HG3 MET 95 1HG MET 95 -13.113 -15.093 9.742 595 HE1 MET 95 3HE MET 95 -12.263 -16.848 10.796 596 HE2 MET 95 1HE MET 95 -11.169 -16.935 12.177 597 HE3 MET 95 2HE MET 95 -10.558 -16.441 10.598 598 H ASP 96 H ASP 96 -10.595 -11.865 7.713 599 HA ASP 96 HA ASP 96 -12.009 -10.596 5.459 600 HB2 ASP 96 2HB ASP 96 -11.434 -8.410 6.442 601 HB3 ASP 96 1HB ASP 96 -12.435 -9.368 7.529 602 H LEU 97 H LEU 97 -10.397 -8.611 4.763 603 HA LEU 97 HA LEU 97 -7.630 -9.267 4.715 604 HB2 LEU 97 2HB LEU 97 -7.427 -9.780 2.326 605 HB3 LEU 97 1HB LEU 97 -8.345 -10.999 3.188 606 HG LEU 97 HG LEU 97 -9.916 -8.852 1.884 607 HD11 LEU 97 1HD1 LEU 97 -9.413 -9.292 -0.247 608 HD12 LEU 97 2HD1 LEU 97 -9.249 -11.023 0.049 609 HD13 LEU 97 3HD1 LEU 97 -7.902 -9.938 0.394 610 HD21 LEU 97 3HD2 LEU 97 -11.530 -10.501 1.682 611 HD22 LEU 97 1HD2 LEU 97 -10.727 -10.928 3.193 612 HD23 LEU 97 2HD2 LEU 97 -10.345 -11.806 1.712 613 H LEU 98 H LEU 98 -10.308 -7.522 3.222 614 HA LEU 98 HA LEU 98 -8.548 -5.408 2.297 615 HB2 LEU 98 2HB LEU 98 -11.557 -5.402 2.246 616 HB3 LEU 98 1HB LEU 98 -10.460 -4.462 1.253 617 HG LEU 98 HG LEU 98 -9.747 -7.035 0.614 618 HD11 LEU 98 1HD1 LEU 98 -11.478 -8.474 0.645 619 HD12 LEU 98 2HD1 LEU 98 -12.673 -7.211 0.353 620 HD13 LEU 98 3HD1 LEU 98 -12.031 -7.460 1.978 621 HD21 LEU 98 3HD2 LEU 98 -11.932 -5.793 -0.956 622 HD22 LEU 98 1HD2 LEU 98 -10.379 -6.438 -1.486 623 HD23 LEU 98 2HD2 LEU 98 -10.460 -4.850 -0.724 624 H LYS 99 H LYS 99 -10.456 -6.135 5.060 625 HA LYS 99 HA LYS 99 -11.223 -3.636 5.973 626 HB2 LYS 99 2HB LYS 99 -11.271 -6.207 6.968 627 HB3 LYS 99 1HB LYS 99 -10.207 -5.374 8.095 628 HG2 LYS 99 2HG LYS 99 -12.242 -3.593 7.883 629 HG3 LYS 99 1HG LYS 99 -13.097 -5.125 7.688 630 HD2 LYS 99 2HD LYS 99 -12.123 -5.944 9.771 631 HD3 LYS 99 1HD LYS 99 -11.235 -4.431 9.959 632 HE2 LYS 99 2HE LYS 99 -14.238 -4.608 9.801 633 HE3 LYS 99 1HE LYS 99 -13.335 -4.598 11.316 634 HZ1 LYS 99 3HZ LYS 99 -14.261 -2.401 10.150 635 HZ2 LYS 99 1HZ LYS 99 -12.719 -2.454 9.454 636 HZ3 LYS 99 2HZ LYS 99 -12.885 -2.418 11.135 637 H GLN 100 H GLN 100 -8.050 -5.041 5.836 638 HA GLN 100 HA GLN 100 -6.890 -3.137 7.677 639 HB2 GLN 100 2HB GLN 100 -5.454 -5.006 5.789 640 HB3 GLN 100 1HB GLN 100 -4.794 -4.222 7.217 641 HG2 GLN 100 2HG GLN 100 -7.147 -5.893 7.720 642 HG3 GLN 100 1HG GLN 100 -5.732 -6.763 7.130 643 HE21 GLN 100 1HE2 GLN 100 -3.987 -7.019 8.437 644 HE22 GLN 100 2HE2 GLN 100 -3.941 -6.516 10.089 645 H ALA 101 H ALA 101 -6.920 -3.703 4.186 646 HA ALA 101 HA ALA 101 -5.259 -1.451 3.585 647 HB1 ALA 101 1HB ALA 101 -6.730 -3.506 2.056 648 HB2 ALA 101 2HB ALA 101 -5.077 -2.919 1.873 649 HB3 ALA 101 3HB ALA 101 -6.424 -1.978 1.230 650 H LEU 102 H LEU 102 -8.662 -1.978 4.029 651 HA LEU 102 HA LEU 102 -9.466 0.467 2.734 652 HB2 LEU 102 2HB LEU 102 -10.776 -1.817 3.236 653 HB3 LEU 102 1HB LEU 102 -11.276 -0.900 4.644 654 HG LEU 102 HG LEU 102 -11.567 0.257 1.890 655 HD11 LEU 102 1HD1 LEU 102 -13.220 -1.849 3.195 656 HD12 LEU 102 2HD1 LEU 102 -12.795 -1.639 1.497 657 HD13 LEU 102 3HD1 LEU 102 -14.017 -0.604 2.234 658 HD21 LEU 102 3HD2 LEU 102 -13.502 1.368 3.067 659 HD22 LEU 102 1HD2 LEU 102 -11.891 1.836 3.612 660 HD23 LEU 102 2HD2 LEU 102 -12.855 0.711 4.569 661 H LEU 103 H LEU 103 -8.730 -0.604 5.983 662 HA LEU 103 HA LEU 103 -9.779 1.726 7.262 663 HB2 LEU 103 2HB LEU 103 -8.334 -0.709 8.074 664 HB3 LEU 103 1HB LEU 103 -8.084 0.695 9.093 665 HG LEU 103 HG LEU 103 -9.899 -0.841 9.854 666 HD11 LEU 103 1HD1 LEU 103 -10.191 2.052 9.365 667 HD12 LEU 103 2HD1 LEU 103 -10.184 1.150 10.880 668 HD13 LEU 103 3HD1 LEU 103 -11.633 1.177 9.879 669 HD21 LEU 103 3HD2 LEU 103 -11.124 -1.638 8.126 670 HD22 LEU 103 1HD2 LEU 103 -10.939 -0.170 7.169 671 HD23 LEU 103 2HD2 LEU 103 -12.105 -0.226 8.485 672 H ILE 104 H ILE 104 -6.717 0.800 5.891 673 HA ILE 104 HA ILE 104 -5.272 2.951 7.159 674 HB ILE 104 HB ILE 104 -3.404 2.265 5.631 675 HG12 ILE 104 2HG1 ILE 104 -4.333 -0.327 4.947 676 HG13 ILE 104 1HG1 ILE 104 -5.538 0.819 4.373 677 HG21 ILE 104 1HG2 ILE 104 -4.681 0.603 7.706 678 HG22 ILE 104 2HG2 ILE 104 -3.064 1.306 7.644 679 HG23 ILE 104 3HG2 ILE 104 -3.418 -0.172 6.749 680 HD11 ILE 104 3HD1 ILE 104 -3.169 0.101 3.121 681 HD12 ILE 104 1HD1 ILE 104 -2.882 1.726 3.744 682 HD13 ILE 104 2HD1 ILE 104 -4.253 1.419 2.677 683 H LEU 105 H LEU 105 -6.669 2.331 3.959 684 HA LEU 105 HA LEU 105 -5.575 4.750 2.855 685 HB2 LEU 105 2HB LEU 105 -6.774 4.226 0.858 686 HB3 LEU 105 1HB LEU 105 -6.073 2.743 1.474 687 HG LEU 105 HG LEU 105 -8.473 2.476 2.575 688 HD11 LEU 105 1HD1 LEU 105 -9.532 4.454 1.935 689 HD12 LEU 105 2HD1 LEU 105 -10.126 3.258 0.783 690 HD13 LEU 105 3HD1 LEU 105 -8.866 4.396 0.305 691 HD21 LEU 105 3HD2 LEU 105 -7.191 1.126 0.757 692 HD22 LEU 105 1HD2 LEU 105 -8.285 1.941 -0.360 693 HD23 LEU 105 2HD2 LEU 105 -8.936 0.924 0.924 694 H HIS 106 H HIS 106 -8.635 3.751 4.259 695 HA HIS 106 HA HIS 106 -10.041 6.131 3.567 696 HB2 HIS 106 2HB HIS 106 -10.992 3.825 4.265 697 HB3 HIS 106 1HB HIS 106 -10.758 4.395 5.912 698 HD1 HIS 106 1HD HIS 106 -12.623 5.340 2.753 699 HD2 HIS 106 2HD HIS 106 -12.767 5.979 6.856 700 HE1 HIS 106 1HE HIS 106 -14.777 6.575 3.166 701 HE2 HIS 106 2HE HIS 106 -14.897 6.853 5.668 702 H ASN 107 H ASN 107 -8.659 4.986 6.649 703 HA ASN 107 HA ASN 107 -9.174 7.301 8.124 704 HB2 ASN 107 2HB ASN 107 -7.102 5.139 8.419 705 HB3 ASN 107 1HB ASN 107 -7.207 6.484 9.550 706 HD21 ASN 107 1HD2 ASN 107 -9.787 6.863 9.965 707 HD22 ASN 107 2HD2 ASN 107 -10.548 5.456 10.614 708 H ASP 108 H ASP 108 -6.608 6.518 5.895 709 HA ASP 108 HA ASP 108 -4.828 8.595 6.629 710 HB2 ASP 108 2HB ASP 108 -4.113 6.651 5.310 711 HB3 ASP 108 1HB ASP 108 -5.131 7.175 3.974 712 H LEU 109 H LEU 109 -7.490 8.392 4.325 713 HA LEU 109 HA LEU 109 -7.059 11.194 3.581 714 HB2 LEU 109 2HB LEU 109 -7.441 9.299 1.884 715 HB3 LEU 109 1HB LEU 109 -9.123 9.372 2.388 716 HG LEU 109 HG LEU 109 -8.791 11.954 1.836 717 HD11 LEU 109 1HD1 LEU 109 -7.438 11.883 -0.397 718 HD12 LEU 109 2HD1 LEU 109 -6.608 10.534 0.385 719 HD13 LEU 109 3HD1 LEU 109 -6.607 12.125 1.140 720 HD21 LEU 109 3HD2 LEU 109 -10.489 10.530 0.858 721 HD22 LEU 109 1HD2 LEU 109 -9.288 9.790 -0.201 722 HD23 LEU 109 2HD2 LEU 109 -9.709 11.492 -0.398 723 H HIS 110 H HIS 110 -8.702 9.576 5.922 724 HA HIS 110 HA HIS 110 -11.242 10.891 5.771 725 HB2 HIS 110 2HB HIS 110 -10.142 8.781 7.262 726 HB3 HIS 110 1HB HIS 110 -10.574 10.007 8.441 727 HD1 HIS 110 1HD HIS 110 -12.390 8.179 9.196 728 HD2 HIS 110 2HD HIS 110 -12.993 9.932 5.477 729 HE1 HIS 110 1HE HIS 110 -14.785 7.693 8.603 730 HE2 HIS 110 2HE HIS 110 -15.147 8.828 6.384 731 H GLU 111 H GLU 111 -8.849 11.107 8.406 732 HA GLU 111 HA GLU 111 -9.743 13.804 8.975 733 HB2 GLU 111 2HB GLU 111 -8.108 11.757 10.373 734 HB3 GLU 111 1HB GLU 111 -7.786 13.439 10.755 735 HG2 GLU 111 2HG GLU 111 -10.405 13.526 11.013 736 HG3 GLU 111 1HG GLU 111 -10.191 11.804 11.305 737 H TYR 112 H TYR 112 -6.504 12.340 8.634 738 HA TYR 112 HA TYR 112 -5.516 13.926 6.609 739 HB2 TYR 112 2HB TYR 112 -5.761 15.383 9.121 740 HB3 TYR 112 1HB TYR 112 -4.102 15.351 8.540 741 HD1 TYR 112 1HD TYR 112 -4.094 15.676 5.780 742 HD2 TYR 112 2HD TYR 112 -6.881 17.309 8.550 743 HE1 TYR 112 1HE TYR 112 -4.602 17.489 4.197 744 HE2 TYR 112 2HE TYR 112 -7.405 19.121 6.969 745 HH TYR 112 HH TYR 112 -6.342 19.076 3.708 746 H VAL 113 H VAL 113 -4.493 13.039 9.903 747 HA VAL 113 HA VAL 113 -2.584 12.028 10.670 748 HB VAL 113 HB VAL 113 -3.938 10.118 9.965 749 HG11 VAL 113 1HG1 VAL 113 -4.286 10.420 7.667 750 HG12 VAL 113 2HG1 VAL 113 -3.249 8.988 7.781 751 HG13 VAL 113 3HG1 VAL 113 -2.557 10.550 7.335 752 HG21 VAL 113 3HG2 VAL 113 -1.377 10.057 10.714 753 HG22 VAL 113 1HG2 VAL 113 -1.218 9.273 9.145 754 HG23 VAL 113 2HG2 VAL 113 -2.303 8.599 10.364 755 H GLU 114 H GLU 114 -1.816 14.181 9.223 756 HA GLU 114 HA GLU 114 0.587 13.196 7.838 757 HB2 GLU 114 2HB GLU 114 -1.436 15.171 6.942 758 HB3 GLU 114 1HB GLU 114 0.239 15.601 6.651 759 HG2 GLU 114 2HG GLU 114 -0.594 12.869 5.885 760 HG3 GLU 114 1HG GLU 114 -1.207 14.204 4.919 Start of MODEL 12 1 H THR 26 H THR 26 -9.707 -18.387 -6.850 2 HA THR 26 HA THR 26 -8.767 -16.097 -5.560 3 HB THR 26 HB THR 26 -7.584 -17.061 -8.149 4 HG1 THR 26 1HG THR 26 -6.860 -18.854 -7.215 5 HG21 THR 26 3HG2 THR 26 -5.466 -16.716 -6.985 6 HG22 THR 26 1HG2 THR 26 -6.345 -16.161 -5.560 7 HG23 THR 26 2HG2 THR 26 -6.425 -15.238 -7.061 8 H SER 27 H SER 27 -9.061 -13.997 -5.939 9 HA SER 27 HA SER 27 -9.661 -13.128 -8.676 10 HB2 SER 27 2HB SER 27 -11.431 -12.978 -6.350 11 HB3 SER 27 1HB SER 27 -11.204 -11.424 -7.152 12 H LYS 28 H LYS 28 -9.965 -10.490 -8.363 13 HA LYS 28 HA LYS 28 -7.477 -9.621 -7.059 14 HB2 LYS 28 2HB LYS 28 -8.406 -9.299 -9.804 15 HB3 LYS 28 1HB LYS 28 -7.963 -7.769 -9.060 16 HG2 LYS 28 2HG LYS 28 -5.779 -8.829 -8.418 17 HG3 LYS 28 1HG LYS 28 -6.237 -10.201 -9.430 18 HD2 LYS 28 2HD LYS 28 -6.460 -8.669 -11.353 19 HD3 LYS 28 1HD LYS 28 -5.914 -7.338 -10.329 20 HE2 LYS 28 2HE LYS 28 -3.985 -8.005 -11.460 21 HE3 LYS 28 1HE LYS 28 -3.846 -8.785 -9.885 22 HZ1 LYS 28 3HZ LYS 28 -4.798 -10.809 -10.930 23 HZ2 LYS 28 1HZ LYS 28 -3.287 -10.366 -11.551 24 HZ3 LYS 28 2HZ LYS 28 -4.694 -10.043 -12.434 25 H GLN 29 H GLN 29 -7.448 -7.624 -6.052 26 HA GLN 29 HA GLN 29 -9.998 -6.188 -5.851 27 HB2 GLN 29 2HB GLN 29 -8.263 -6.939 -3.486 28 HB3 GLN 29 1HB GLN 29 -9.728 -5.959 -3.425 29 HG2 GLN 29 2HG GLN 29 -9.803 -8.739 -4.522 30 HG3 GLN 29 1HG GLN 29 -9.841 -8.454 -2.782 31 HE21 GLN 29 1HE2 GLN 29 -11.740 -9.060 -5.320 32 HE22 GLN 29 2HE2 GLN 29 -13.197 -8.278 -4.822 33 H GLU 30 H GLU 30 -9.833 -3.988 -5.584 34 HA GLU 30 HA GLU 30 -7.127 -2.873 -5.413 35 HB2 GLU 30 2HB GLU 30 -7.431 -1.475 -7.296 36 HB3 GLU 30 1HB GLU 30 -7.939 -3.082 -7.796 37 HG2 GLU 30 2HG GLU 30 -9.791 -0.861 -6.956 38 HG3 GLU 30 1HG GLU 30 -9.424 -1.310 -8.621 39 H LEU 31 H LEU 31 -6.951 -1.241 -4.036 40 HA LEU 31 HA LEU 31 -9.399 -0.098 -2.906 41 HB2 LEU 31 2HB LEU 31 -6.572 0.189 -1.898 42 HB3 LEU 31 1HB LEU 31 -8.043 0.614 -1.048 43 HG LEU 31 HG LEU 31 -8.366 -2.087 -1.627 44 HD11 LEU 31 1HD1 LEU 31 -6.042 -2.297 -2.264 45 HD12 LEU 31 2HD1 LEU 31 -6.322 -3.120 -0.729 46 HD13 LEU 31 3HD1 LEU 31 -5.533 -1.542 -0.754 47 HD21 LEU 31 3HD2 LEU 31 -9.131 -1.202 0.409 48 HD22 LEU 31 1HD2 LEU 31 -7.537 -0.580 0.836 49 HD23 LEU 31 2HD2 LEU 31 -7.840 -2.318 0.856 50 H ILE 32 H ILE 32 -10.074 1.741 -3.762 51 HA ILE 32 HA ILE 32 -8.348 3.424 -5.314 52 HB ILE 32 HB ILE 32 -10.689 3.103 -5.947 53 HG12 ILE 32 2HG1 ILE 32 -10.049 5.957 -5.165 54 HG13 ILE 32 1HG1 ILE 32 -9.535 5.154 -6.646 55 HG21 ILE 32 1HG2 ILE 32 -11.273 3.291 -3.317 56 HG22 ILE 32 2HG2 ILE 32 -12.460 3.466 -4.609 57 HG23 ILE 32 3HG2 ILE 32 -11.745 4.898 -3.870 58 HD11 ILE 32 3HD1 ILE 32 -12.426 5.124 -6.174 59 HD12 ILE 32 1HD1 ILE 32 -11.513 5.467 -7.644 60 HD13 ILE 32 2HD1 ILE 32 -11.723 6.723 -6.423 61 H LEU 33 H LEU 33 -6.911 4.700 -4.337 62 HA LEU 33 HA LEU 33 -7.656 6.042 -1.841 63 HB2 LEU 33 2HB LEU 33 -4.930 6.029 -3.098 64 HB3 LEU 33 1HB LEU 33 -5.348 6.414 -1.439 65 HG LEU 33 HG LEU 33 -5.905 3.659 -2.437 66 HD11 LEU 33 1HD1 LEU 33 -3.718 3.763 -3.214 67 HD12 LEU 33 2HD1 LEU 33 -3.531 3.132 -1.577 68 HD13 LEU 33 3HD1 LEU 33 -3.201 4.831 -1.910 69 HD21 LEU 33 3HD2 LEU 33 -5.989 3.134 -0.244 70 HD22 LEU 33 1HD2 LEU 33 -6.292 4.856 -0.070 71 HD23 LEU 33 2HD2 LEU 33 -4.670 4.224 0.180 72 H VAL 34 H VAL 34 -8.068 8.161 -1.796 73 HA VAL 34 HA VAL 34 -7.434 9.734 -4.202 74 HB VAL 34 HB VAL 34 -9.702 10.303 -2.293 75 HG11 VAL 34 1HG1 VAL 34 -8.561 12.061 -3.867 76 HG12 VAL 34 2HG1 VAL 34 -10.315 12.007 -3.691 77 HG13 VAL 34 3HG1 VAL 34 -9.547 11.277 -5.100 78 HG21 VAL 34 3HG2 VAL 34 -10.014 9.114 -5.030 79 HG22 VAL 34 1HG2 VAL 34 -11.211 9.249 -3.740 80 HG23 VAL 34 2HG2 VAL 34 -9.871 8.108 -3.588 81 H LEU 35 H LEU 35 -5.687 10.801 -3.764 82 HA LEU 35 HA LEU 35 -5.310 12.061 -1.161 83 HB2 LEU 35 2HB LEU 35 -3.631 10.738 -2.924 84 HB3 LEU 35 1HB LEU 35 -3.199 12.431 -3.126 85 HG LEU 35 HG LEU 35 -3.397 11.391 -0.346 86 HD11 LEU 35 1HD1 LEU 35 -0.778 11.018 -1.625 87 HD12 LEU 35 2HD1 LEU 35 -2.024 9.849 -2.081 88 HD13 LEU 35 3HD1 LEU 35 -1.587 10.057 -0.384 89 HD21 LEU 35 3HD2 LEU 35 -2.089 13.158 0.152 90 HD22 LEU 35 1HD2 LEU 35 -2.715 13.770 -1.379 91 HD23 LEU 35 2HD2 LEU 35 -1.129 13.003 -1.319 92 H LYS 36 H LYS 36 -4.598 14.290 -1.041 93 HA LYS 36 HA LYS 36 -6.077 15.968 -2.887 94 HB2 LYS 36 2HB LYS 36 -4.524 16.628 -0.376 95 HB3 LYS 36 1HB LYS 36 -5.419 17.806 -1.322 96 HG2 LYS 36 2HG LYS 36 -7.450 16.302 -0.939 97 HG3 LYS 36 1HG LYS 36 -6.475 15.522 0.310 98 HD2 LYS 36 2HD LYS 36 -7.342 17.105 1.654 99 HD3 LYS 36 1HD LYS 36 -6.119 18.151 0.916 100 HE2 LYS 36 2HE LYS 36 -8.574 17.931 -0.653 101 HE3 LYS 36 1HE LYS 36 -8.822 18.621 0.953 102 HZ1 LYS 36 3HZ LYS 36 -6.716 20.000 0.234 103 HZ2 LYS 36 1HZ LYS 36 -8.279 20.482 -0.191 104 HZ3 LYS 36 2HZ LYS 36 -7.311 19.676 -1.319 105 H GLY 37 H GLY 37 -4.638 15.418 -4.703 106 HA2 GLY 37 2HA GLY 37 -1.922 16.310 -4.688 107 HA3 GLY 37 1HA GLY 37 -2.844 15.823 -6.100 108 H GLU 38 H GLU 38 -1.018 18.177 -5.395 109 HA GLU 38 HA GLU 38 -2.293 20.081 -7.022 110 HB2 GLU 38 2HB GLU 38 -2.860 20.249 -4.162 111 HB3 GLU 38 1HB GLU 38 -2.153 21.735 -4.799 112 HG2 GLU 38 2HG GLU 38 -4.295 20.588 -6.444 113 HG3 GLU 38 1HG GLU 38 -4.790 21.136 -4.838 114 H LEU 39 H LEU 39 0.154 18.979 -7.203 115 HA LEU 39 HA LEU 39 2.345 19.467 -7.507 116 HB2 LEU 39 2HB LEU 39 1.198 21.609 -8.386 117 HB3 LEU 39 1HB LEU 39 1.725 22.342 -6.883 118 HG LEU 39 HG LEU 39 4.072 21.777 -7.481 119 HD11 LEU 39 1HD1 LEU 39 4.329 21.326 -10.025 120 HD12 LEU 39 2HD1 LEU 39 2.703 20.662 -9.887 121 HD13 LEU 39 3HD1 LEU 39 4.019 19.987 -8.928 122 HD21 LEU 39 3HD2 LEU 39 2.335 23.621 -9.003 123 HD22 LEU 39 1HD2 LEU 39 3.957 23.348 -9.643 124 HD23 LEU 39 2HD2 LEU 39 3.749 23.958 -8.004 125 H ASP 40 H ASP 40 1.642 18.576 -4.993 126 HA ASP 40 HA ASP 40 3.807 19.700 -3.415 127 HB2 ASP 40 2HB ASP 40 0.917 19.855 -2.630 128 HB3 ASP 40 1HB ASP 40 2.135 19.615 -1.383 129 H LEU 41 H LEU 41 4.938 18.101 -2.537 130 HA LEU 41 HA LEU 41 3.716 15.437 -2.387 131 HB2 LEU 41 2HB LEU 41 5.984 16.095 -3.596 132 HB3 LEU 41 1HB LEU 41 6.637 15.883 -1.983 133 HG LEU 41 HG LEU 41 6.923 13.840 -3.206 134 HD11 LEU 41 1HD1 LEU 41 6.437 13.582 -0.853 135 HD12 LEU 41 2HD1 LEU 41 5.678 12.272 -1.758 136 HD13 LEU 41 3HD1 LEU 41 4.705 13.624 -1.175 137 HD21 LEU 41 3HD2 LEU 41 5.138 14.190 -4.855 138 HD22 LEU 41 1HD2 LEU 41 3.932 13.852 -3.612 139 HD23 LEU 41 2HD2 LEU 41 5.050 12.586 -4.120 140 H HIS 42 H HIS 42 2.713 15.320 -0.447 141 HA HIS 42 HA HIS 42 4.400 15.218 1.904 142 HB2 HIS 42 2HB HIS 42 3.636 17.619 1.693 143 HB3 HIS 42 1HB HIS 42 1.994 17.044 1.938 144 HD1 HIS 42 1HD HIS 42 1.379 16.195 4.313 145 HD2 HIS 42 2HD HIS 42 5.236 17.691 3.977 146 HE1 HIS 42 1HE HIS 42 2.190 16.504 6.675 147 HE2 HIS 42 2HE HIS 42 4.499 17.489 6.443 148 H SER 43 H SER 43 3.089 13.182 0.557 149 HA SER 43 HA SER 43 1.036 12.430 2.515 150 HB2 SER 43 2HB SER 43 0.361 12.971 -0.012 151 HB3 SER 43 1HB SER 43 0.856 11.291 -0.228 152 HG SER 43 HG SER 43 -0.946 12.096 1.804 153 H LYS 44 H LYS 44 1.512 10.655 3.605 154 HA LYS 44 HA LYS 44 3.758 9.020 2.777 155 HB2 LYS 44 2HB LYS 44 2.030 8.800 5.243 156 HB3 LYS 44 1HB LYS 44 3.552 7.973 4.973 157 HG2 LYS 44 2HG LYS 44 3.198 10.954 5.182 158 HG3 LYS 44 1HG LYS 44 3.817 9.900 6.447 159 HD2 LYS 44 2HD LYS 44 5.093 10.134 3.730 160 HD3 LYS 44 1HD LYS 44 5.562 11.123 5.115 161 HE2 LYS 44 2HE LYS 44 6.183 9.153 6.367 162 HE3 LYS 44 1HE LYS 44 5.587 8.109 5.081 163 HZ1 LYS 44 3HZ LYS 44 8.013 8.377 5.055 164 HZ2 LYS 44 1HZ LYS 44 7.824 10.033 4.788 165 HZ3 LYS 44 2HZ LYS 44 7.293 8.917 3.627 166 H ASN 45 H ASN 45 0.535 8.994 2.076 167 HA ASN 45 HA ASN 45 -0.541 6.553 2.443 168 HB2 ASN 45 2HB ASN 45 -1.262 8.617 0.940 169 HB3 ASN 45 1HB ASN 45 -0.653 7.587 -0.348 170 HD21 ASN 45 1HD2 ASN 45 -2.467 6.960 2.635 171 HD22 ASN 45 2HD2 ASN 45 -3.763 6.114 1.868 172 H MET 46 H MET 46 1.576 7.281 -0.341 173 HA MET 46 HA MET 46 1.717 4.691 -1.348 174 HB2 MET 46 2HB MET 46 4.065 5.500 -2.177 175 HB3 MET 46 1HB MET 46 2.603 6.267 -2.791 176 HG2 MET 46 2HG MET 46 3.498 7.607 -0.417 177 HG3 MET 46 1HG MET 46 4.817 7.479 -1.578 178 HE1 MET 46 3HE MET 46 4.975 8.682 -3.785 179 HE2 MET 46 1HE MET 46 5.206 9.837 -2.471 180 HE3 MET 46 2HE MET 46 4.237 10.286 -3.877 181 H LYS 47 H LYS 47 4.024 6.294 0.853 182 HA LYS 47 HA LYS 47 5.665 4.062 1.269 183 HB2 LYS 47 2HB LYS 47 6.169 6.456 1.885 184 HB3 LYS 47 1HB LYS 47 5.126 6.246 3.282 185 HG2 LYS 47 2HG LYS 47 6.680 5.111 4.418 186 HG3 LYS 47 1HG LYS 47 7.176 4.176 3.006 187 HD2 LYS 47 2HD LYS 47 7.956 7.043 3.572 188 HD3 LYS 47 1HD LYS 47 8.975 5.631 3.871 189 HE2 LYS 47 2HE LYS 47 8.571 5.118 1.365 190 HE3 LYS 47 1HE LYS 47 8.083 6.807 1.265 191 HZ1 LYS 47 3HZ LYS 47 10.184 7.520 1.551 192 HZ2 LYS 47 1HZ LYS 47 10.586 5.992 0.950 193 HZ3 LYS 47 2HZ LYS 47 10.600 6.275 2.619 194 H ASN 48 H ASN 48 2.569 4.923 2.569 195 HA ASN 48 HA ASN 48 2.647 3.246 4.865 196 HB2 ASN 48 2HB ASN 48 0.660 4.899 3.478 197 HB3 ASN 48 1HB ASN 48 -0.021 3.451 4.213 198 HD21 ASN 48 1HD2 ASN 48 0.199 3.158 6.467 199 HD22 ASN 48 2HD2 ASN 48 0.473 4.501 7.515 200 H VAL 49 H VAL 49 1.511 2.824 1.542 201 HA VAL 49 HA VAL 49 0.341 0.291 1.859 202 HB VAL 49 HB VAL 49 1.696 1.386 -0.607 203 HG11 VAL 49 1HG1 VAL 49 1.184 -0.545 -1.578 204 HG12 VAL 49 2HG1 VAL 49 -0.518 -0.280 -1.207 205 HG13 VAL 49 3HG1 VAL 49 0.506 -1.145 -0.065 206 HG21 VAL 49 3HG2 VAL 49 -1.198 1.563 0.232 207 HG22 VAL 49 1HG2 VAL 49 -0.503 2.179 -1.267 208 HG23 VAL 49 2HG2 VAL 49 -0.037 2.890 0.277 209 H ILE 50 H ILE 50 3.635 1.242 0.935 210 HA ILE 50 HA ILE 50 4.644 -1.339 0.514 211 HB ILE 50 HB ILE 50 6.194 1.032 1.554 212 HG12 ILE 50 2HG1 ILE 50 6.202 0.355 -1.332 213 HG13 ILE 50 1HG1 ILE 50 4.723 1.082 -0.710 214 HG21 ILE 50 1HG2 ILE 50 8.104 -0.039 0.469 215 HG22 ILE 50 2HG2 ILE 50 7.077 -1.392 -0.007 216 HG23 ILE 50 3HG2 ILE 50 7.395 -1.084 1.701 217 HD11 ILE 50 3HD1 ILE 50 5.654 3.091 -0.554 218 HD12 ILE 50 1HD1 ILE 50 6.918 2.432 -1.593 219 HD13 ILE 50 2HD1 ILE 50 7.139 2.458 0.154 220 H ASN 51 H ASN 51 4.311 0.591 3.437 221 HA ASN 51 HA ASN 51 5.760 -1.250 5.093 222 HB2 ASN 51 2HB ASN 51 5.126 1.354 5.380 223 HB3 ASN 51 1HB ASN 51 3.835 0.632 6.337 224 HD21 ASN 51 1HD2 ASN 51 7.162 1.393 6.160 225 HD22 ASN 51 2HD2 ASN 51 7.615 0.795 7.717 226 H ASN 52 H ASN 52 2.315 -0.423 4.710 227 HA ASN 52 HA ASN 52 1.385 -2.380 6.525 228 HB2 ASN 52 2HB ASN 52 0.243 -0.335 4.919 229 HB3 ASN 52 1HB ASN 52 -0.604 -1.830 4.533 230 HD21 ASN 52 1HD2 ASN 52 -0.565 0.776 6.526 231 HD22 ASN 52 2HD2 ASN 52 -1.488 0.145 7.842 232 H ALA 53 H ALA 53 1.359 -2.330 2.962 233 HA ALA 53 HA ALA 53 0.374 -4.892 2.552 234 HB1 ALA 53 1HB ALA 53 2.389 -3.442 0.836 235 HB2 ALA 53 2HB ALA 53 0.643 -3.199 0.780 236 HB3 ALA 53 3HB ALA 53 1.331 -4.759 0.328 237 H LYS 54 H LYS 54 3.586 -3.823 3.418 238 HA LYS 54 HA LYS 54 4.800 -6.397 2.922 239 HB2 LYS 54 2HB LYS 54 6.121 -4.360 2.639 240 HB3 LYS 54 1HB LYS 54 5.869 -3.944 4.328 241 HG2 LYS 54 2HG LYS 54 7.811 -4.955 4.712 242 HG3 LYS 54 1HG LYS 54 6.940 -6.471 4.473 243 HD2 LYS 54 2HD LYS 54 7.538 -6.469 2.117 244 HD3 LYS 54 1HD LYS 54 8.345 -4.911 2.304 245 HE2 LYS 54 2HE LYS 54 10.039 -5.847 3.666 246 HE3 LYS 54 1HE LYS 54 9.139 -7.349 3.877 247 HZ1 LYS 54 3HZ LYS 54 10.750 -7.865 2.309 248 HZ2 LYS 54 1HZ LYS 54 10.590 -6.392 1.491 249 HZ3 LYS 54 2HZ LYS 54 9.383 -7.569 1.359 250 H LYS 55 H LYS 55 4.090 -4.438 5.813 251 HA LYS 55 HA LYS 55 4.894 -6.318 7.715 252 HB2 LYS 55 2HB LYS 55 2.940 -4.037 7.777 253 HB3 LYS 55 1HB LYS 55 3.138 -5.080 9.178 254 HG2 LYS 55 2HG LYS 55 5.522 -3.808 7.904 255 HG3 LYS 55 1HG LYS 55 4.500 -2.890 9.013 256 HD2 LYS 55 2HD LYS 55 4.803 -4.991 10.548 257 HD3 LYS 55 1HD LYS 55 6.228 -5.267 9.543 258 HE2 LYS 55 2HE LYS 55 5.625 -2.725 11.053 259 HE3 LYS 55 1HE LYS 55 6.737 -3.984 11.587 260 HZ1 LYS 55 3HZ LYS 55 8.059 -3.592 9.590 261 HZ2 LYS 55 1HZ LYS 55 7.927 -2.188 10.524 262 HZ3 LYS 55 2HZ LYS 55 7.005 -2.357 9.117 263 H ASN 56 H ASN 56 1.732 -5.796 6.202 264 HA ASN 56 HA ASN 56 0.325 -7.745 7.664 265 HB2 ASN 56 2HB ASN 56 -0.192 -6.770 4.844 266 HB3 ASN 56 1HB ASN 56 -1.348 -7.622 5.873 267 HD21 ASN 56 1HD2 ASN 56 -1.509 -4.978 4.646 268 HD22 ASN 56 2HD2 ASN 56 -1.763 -3.866 5.943 269 H LEU 57 H LEU 57 1.682 -7.926 4.366 270 HA LEU 57 HA LEU 57 1.159 -10.553 3.778 271 HB2 LEU 57 2HB LEU 57 3.513 -8.812 3.098 272 HB3 LEU 57 1HB LEU 57 3.392 -10.463 2.502 273 HG LEU 57 HG LEU 57 1.235 -8.422 2.007 274 HD11 LEU 57 1HD1 LEU 57 3.764 -8.052 1.133 275 HD12 LEU 57 2HD1 LEU 57 2.326 -7.528 0.256 276 HD13 LEU 57 3HD1 LEU 57 3.112 -9.049 -0.167 277 HD21 LEU 57 3HD2 LEU 57 0.290 -9.966 0.654 278 HD22 LEU 57 1HD2 LEU 57 1.163 -11.091 1.694 279 HD23 LEU 57 2HD2 LEU 57 1.842 -10.622 0.136 280 H GLU 58 H GLU 58 4.207 -9.370 5.183 281 HA GLU 58 HA GLU 58 5.290 -11.879 5.762 282 HB2 GLU 58 2HB GLU 58 5.765 -9.114 6.808 283 HB3 GLU 58 1HB GLU 58 6.543 -10.477 7.599 284 HG2 GLU 58 2HG GLU 58 6.758 -10.093 4.641 285 HG3 GLU 58 1HG GLU 58 7.810 -9.218 5.753 286 H LYS 59 H LYS 59 2.912 -9.987 7.451 287 HA LYS 59 HA LYS 59 3.095 -11.097 10.007 288 HB2 LYS 59 2HB LYS 59 1.400 -9.307 8.703 289 HB3 LYS 59 1HB LYS 59 0.343 -10.617 9.204 290 HG2 LYS 59 2HG LYS 59 1.734 -10.257 11.473 291 HG3 LYS 59 1HG LYS 59 1.783 -8.620 10.816 292 HD2 LYS 59 2HD LYS 59 -0.553 -8.429 10.820 293 HD3 LYS 59 1HD LYS 59 -0.782 -10.171 10.976 294 HE2 LYS 59 2HE LYS 59 -1.256 -8.934 13.067 295 HE3 LYS 59 1HE LYS 59 0.032 -10.125 13.241 296 HZ1 LYS 59 3HZ LYS 59 1.562 -8.543 13.619 297 HZ2 LYS 59 1HZ LYS 59 0.228 -7.607 14.072 298 HZ3 LYS 59 2HZ LYS 59 0.886 -7.447 12.523 299 H TYR 60 H TYR 60 1.525 -12.268 7.088 300 HA TYR 60 HA TYR 60 0.330 -14.524 8.455 301 HB2 TYR 60 2HB TYR 60 0.521 -14.272 5.468 302 HB3 TYR 60 1HB TYR 60 -0.743 -15.030 6.441 303 HD1 TYR 60 2HD TYR 60 -2.278 -13.516 7.792 304 HD2 TYR 60 1HD TYR 60 0.316 -12.049 4.755 305 HE1 TYR 60 2HE TYR 60 -3.625 -11.464 7.641 306 HE2 TYR 60 1HE TYR 60 -1.026 -9.994 4.594 307 HH TYR 60 HH TYR 60 -4.071 -9.684 5.826 308 H PHE 61 H PHE 61 3.087 -13.863 6.387 309 HA PHE 61 HA PHE 61 3.800 -16.575 5.925 310 HB2 PHE 61 2HB PHE 61 4.565 -14.238 4.818 311 HB3 PHE 61 1HB PHE 61 5.933 -14.518 5.897 312 HD1 PHE 61 2HD PHE 61 4.105 -15.737 2.969 313 HD2 PHE 61 1HD PHE 61 7.452 -16.348 5.525 314 HE1 PHE 61 2HE PHE 61 5.074 -17.287 1.323 315 HE2 PHE 61 1HE PHE 61 8.428 -17.899 3.883 316 HZ PHE 61 HZ PHE 61 7.239 -18.371 1.779 317 H LYS 62 H LYS 62 4.443 -14.303 8.489 318 HA LYS 62 HA LYS 62 6.526 -15.958 9.648 319 HB2 LYS 62 2HB LYS 62 5.340 -13.289 10.262 320 HB3 LYS 62 1HB LYS 62 6.172 -14.152 11.548 321 HG2 LYS 62 2HG LYS 62 8.185 -13.710 10.697 322 HG3 LYS 62 1HG LYS 62 7.674 -14.087 9.052 323 HD2 LYS 62 2HD LYS 62 7.801 -11.899 8.638 324 HD3 LYS 62 1HD LYS 62 6.359 -11.717 9.637 325 HE2 LYS 62 2HE LYS 62 7.580 -11.074 11.504 326 HE3 LYS 62 1HE LYS 62 9.072 -11.794 10.898 327 HZ1 LYS 62 3HZ LYS 62 9.540 -9.989 9.639 328 HZ2 LYS 62 1HZ LYS 62 8.622 -9.204 10.825 329 HZ3 LYS 62 2HZ LYS 62 7.918 -9.611 9.342 330 H GLU 63 H GLU 63 3.129 -15.259 10.139 331 HA GLU 63 HA GLU 63 3.030 -16.702 12.647 332 HB2 GLU 63 2HB GLU 63 1.552 -14.666 11.742 333 HB3 GLU 63 1HB GLU 63 0.536 -15.998 11.190 334 HG2 GLU 63 2HG GLU 63 0.071 -16.705 13.335 335 HG3 GLU 63 1HG GLU 63 1.500 -15.926 14.015 336 H HIS 64 H HIS 64 1.750 -17.139 9.356 337 HA HIS 64 HA HIS 64 1.060 -19.896 10.029 338 HB2 HIS 64 2HB HIS 64 -0.167 -17.940 8.415 339 HB3 HIS 64 1HB HIS 64 0.409 -19.188 7.315 340 HD1 HIS 64 1HD HIS 64 -2.629 -18.598 8.005 341 HD2 HIS 64 2HD HIS 64 -0.299 -21.646 9.601 342 HE1 HIS 64 1HE HIS 64 -4.255 -20.360 8.766 343 HE2 HIS 64 2HE HIS 64 -2.818 -22.232 9.647 344 H PHE 65 H PHE 65 3.779 -18.547 9.227 345 HA PHE 65 HA PHE 65 5.711 -19.232 8.253 346 HB2 PHE 65 2HB PHE 65 4.518 -21.514 9.159 347 HB3 PHE 65 1HB PHE 65 4.756 -21.896 7.451 348 HD1 PHE 65 2HD PHE 65 7.105 -21.578 6.496 349 HD2 PHE 65 1HD PHE 65 6.270 -21.711 10.666 350 HE1 PHE 65 2HE PHE 65 9.462 -22.120 6.946 351 HE2 PHE 65 1HE PHE 65 8.626 -22.253 11.125 352 HZ PHE 65 HZ PHE 65 10.225 -22.460 9.263 353 H LYS 66 H LYS 66 3.364 -21.107 6.333 354 HA LYS 66 HA LYS 66 4.159 -19.530 3.977 355 HB2 LYS 66 2HB LYS 66 5.095 -21.954 4.204 356 HB3 LYS 66 1HB LYS 66 3.466 -22.439 3.757 357 HG2 LYS 66 2HG LYS 66 3.842 -20.752 1.784 358 HG3 LYS 66 1HG LYS 66 5.545 -21.051 2.144 359 HD2 LYS 66 2HD LYS 66 4.499 -23.581 2.147 360 HD3 LYS 66 1HD LYS 66 3.550 -22.788 0.888 361 HE2 LYS 66 2HE LYS 66 6.380 -22.151 0.713 362 HE3 LYS 66 1HE LYS 66 6.074 -23.884 0.604 363 HZ1 LYS 66 3HZ LYS 66 5.812 -23.315 -1.560 364 HZ2 LYS 66 1HZ LYS 66 5.291 -21.742 -1.220 365 HZ3 LYS 66 2HZ LYS 66 4.224 -23.042 -1.048 366 H GLU 67 H GLU 67 2.368 -18.291 3.737 367 HA GLU 67 HA GLU 67 -0.224 -19.683 3.577 368 HB2 GLU 67 2HB GLU 67 0.486 -17.507 5.149 369 HB3 GLU 67 1HB GLU 67 -0.376 -16.780 3.801 370 HG2 GLU 67 2HG GLU 67 -1.718 -19.130 4.862 371 HG3 GLU 67 1HG GLU 67 -1.503 -17.856 6.062 372 H PHE 68 H PHE 68 -1.802 -18.117 2.223 373 HA PHE 68 HA PHE 68 -0.422 -17.570 -0.324 374 HB2 PHE 68 2HB PHE 68 -3.154 -18.769 0.154 375 HB3 PHE 68 1HB PHE 68 -2.604 -18.203 -1.418 376 HD1 PHE 68 2HD PHE 68 -1.629 -20.518 1.331 377 HD2 PHE 68 1HD PHE 68 -1.534 -19.670 -2.838 378 HE1 PHE 68 2HE PHE 68 -0.590 -22.709 0.914 379 HE2 PHE 68 1HE PHE 68 -0.494 -21.859 -3.263 380 HZ PHE 68 HZ PHE 68 -0.022 -23.383 -1.386 381 H ASP 69 H ASP 69 -0.275 -15.404 -0.418 382 HA ASP 69 HA ASP 69 -2.579 -13.832 -0.836 383 HB2 ASP 69 2HB ASP 69 -2.564 -14.155 1.715 384 HB3 ASP 69 1HB ASP 69 -1.158 -13.096 1.716 385 H LYS 70 H LYS 70 -2.077 -11.947 -1.851 386 HA LYS 70 HA LYS 70 0.704 -11.019 -1.778 387 HB2 LYS 70 2HB LYS 70 0.330 -12.513 -3.768 388 HB3 LYS 70 1HB LYS 70 -0.852 -11.347 -4.346 389 HG2 LYS 70 2HG LYS 70 1.238 -10.985 -5.467 390 HG3 LYS 70 1HG LYS 70 0.917 -9.625 -4.388 391 HD2 LYS 70 2HD LYS 70 2.633 -10.159 -2.985 392 HD3 LYS 70 1HD LYS 70 2.499 -11.889 -3.304 393 HE2 LYS 70 2HE LYS 70 4.580 -10.817 -4.189 394 HE3 LYS 70 1HE LYS 70 3.618 -11.670 -5.394 395 HZ1 LYS 70 3HZ LYS 70 4.351 -9.560 -6.257 396 HZ2 LYS 70 1HZ LYS 70 3.668 -8.733 -4.948 397 HZ3 LYS 70 2HZ LYS 70 2.672 -9.526 -6.062 398 H ILE 71 H ILE 71 0.960 -8.825 -1.940 399 HA ILE 71 HA ILE 71 -1.439 -7.220 -2.480 400 HB ILE 71 HB ILE 71 0.453 -6.719 -0.181 401 HG12 ILE 71 2HG1 ILE 71 -2.465 -7.366 0.044 402 HG13 ILE 71 1HG1 ILE 71 -1.276 -8.657 -0.085 403 HG21 ILE 71 1HG2 ILE 71 -0.437 -4.669 -1.198 404 HG22 ILE 71 2HG2 ILE 71 -1.074 -4.924 0.426 405 HG23 ILE 71 3HG2 ILE 71 -2.076 -5.284 -0.980 406 HD11 ILE 71 3HD1 ILE 71 -1.145 -8.543 2.129 407 HD12 ILE 71 1HD1 ILE 71 -1.983 -6.993 2.181 408 HD13 ILE 71 2HD1 ILE 71 -0.244 -7.046 1.890 409 H SER 72 H SER 72 -1.127 -5.521 -3.738 410 HA SER 72 HA SER 72 1.578 -4.461 -4.103 411 HB2 SER 72 2HB SER 72 0.730 -6.218 -5.897 412 HB3 SER 72 1HB SER 72 -0.124 -4.811 -6.533 413 HG SER 72 HG SER 72 2.617 -5.327 -6.394 414 H TYR 73 H TYR 73 1.418 -2.439 -5.612 415 HA TYR 73 HA TYR 73 -1.059 -1.002 -5.510 416 HB2 TYR 73 2HB TYR 73 -0.588 0.626 -3.920 417 HB3 TYR 73 1HB TYR 73 0.023 -0.835 -3.163 418 HD1 TYR 73 1HD TYR 73 2.644 -1.258 -4.117 419 HD2 TYR 73 2HD TYR 73 0.688 2.456 -3.428 420 HE1 TYR 73 1HE TYR 73 4.828 -0.171 -3.824 421 HE2 TYR 73 2HE TYR 73 2.866 3.553 -3.134 422 HH TYR 73 HH TYR 73 5.126 3.067 -2.643 423 H ASP 74 H ASP 74 -0.966 1.054 -6.603 424 HA ASP 74 HA ASP 74 1.472 1.892 -7.859 425 HB2 ASP 74 2HB ASP 74 0.387 -0.208 -9.137 426 HB3 ASP 74 1HB ASP 74 -0.507 1.094 -9.917 427 H ILE 75 H ILE 75 1.051 3.625 -9.536 428 HA ILE 75 HA ILE 75 -1.191 5.283 -8.610 429 HB ILE 75 HB ILE 75 1.240 6.232 -10.125 430 HG12 ILE 75 2HG1 ILE 75 1.613 7.139 -7.587 431 HG13 ILE 75 1HG1 ILE 75 0.886 5.565 -7.267 432 HG21 ILE 75 1HG2 ILE 75 -0.728 7.736 -8.408 433 HG22 ILE 75 2HG2 ILE 75 -0.767 7.668 -10.169 434 HG23 ILE 75 3HG2 ILE 75 0.597 8.417 -9.341 435 HD11 ILE 75 3HD1 ILE 75 2.741 4.924 -9.140 436 HD12 ILE 75 1HD1 ILE 75 2.987 4.823 -7.396 437 HD13 ILE 75 2HD1 ILE 75 3.542 6.249 -8.286 438 H SER 76 H SER 76 -2.473 6.424 -10.107 439 HA SER 76 HA SER 76 -2.122 5.951 -12.937 440 HB2 SER 76 2HB SER 76 -4.126 4.491 -11.319 441 HB3 SER 76 1HB SER 76 -4.702 5.167 -12.842 442 HG SER 76 HG SER 76 -3.660 3.660 -13.854 443 H THR 77 H THR 77 -4.344 6.765 -14.038 444 HA THR 77 HA THR 77 -5.726 8.515 -14.494 445 HB THR 77 HB THR 77 -5.516 9.755 -11.814 446 HG1 THR 77 1HG THR 77 -6.780 7.247 -12.134 447 HG21 THR 77 3HG2 THR 77 -7.274 10.644 -12.988 448 HG22 THR 77 1HG2 THR 77 -8.072 9.377 -12.043 449 HG23 THR 77 2HG2 THR 77 -7.684 9.100 -13.741 450 HA PRO 78 HA PRO 78 -2.953 11.678 -15.844 451 HB2 PRO 78 2HB PRO 78 -5.287 13.480 -15.341 452 HB3 PRO 78 1HB PRO 78 -4.252 13.356 -16.768 453 HG2 PRO 78 2HG PRO 78 -6.684 12.284 -16.764 454 HG3 PRO 78 1HG PRO 78 -5.326 11.457 -17.549 455 HD2 PRO 78 2HD PRO 78 -6.693 10.833 -14.986 456 HD3 PRO 78 1HD PRO 78 -5.916 9.739 -16.148 457 H ILE 79 H ILE 79 -4.935 12.141 -12.988 458 HA ILE 79 HA ILE 79 -3.044 14.079 -11.884 459 HB ILE 79 HB ILE 79 -5.561 13.098 -10.545 460 HG12 ILE 79 2HG1 ILE 79 -5.456 15.608 -12.195 461 HG13 ILE 79 1HG1 ILE 79 -5.873 14.073 -12.937 462 HG21 ILE 79 1HG2 ILE 79 -3.602 15.269 -10.108 463 HG22 ILE 79 2HG2 ILE 79 -4.516 14.312 -8.944 464 HG23 ILE 79 3HG2 ILE 79 -5.294 15.650 -9.793 465 HD11 ILE 79 3HD1 ILE 79 -7.751 13.832 -11.403 466 HD12 ILE 79 1HD1 ILE 79 -7.855 15.336 -12.319 467 HD13 ILE 79 2HD1 ILE 79 -7.319 15.369 -10.640 468 H ASN 80 H ASN 80 -2.442 13.748 -9.534 469 HA ASN 80 HA ASN 80 -1.127 11.271 -9.234 470 HB2 ASN 80 2HB ASN 80 -1.529 13.691 -7.540 471 HB3 ASN 80 1HB ASN 80 -0.995 12.209 -6.740 472 HD21 ASN 80 1HD2 ASN 80 1.080 12.568 -6.322 473 HD22 ASN 80 2HD2 ASN 80 2.272 13.027 -7.489 474 H PHE 81 H PHE 81 -3.083 9.910 -9.615 475 HA PHE 81 HA PHE 81 -4.808 9.626 -7.272 476 HB2 PHE 81 2HB PHE 81 -5.495 9.564 -9.849 477 HB3 PHE 81 1HB PHE 81 -5.114 7.857 -9.652 478 HD1 PHE 81 2HD PHE 81 -6.877 10.454 -7.624 479 HD2 PHE 81 1HD PHE 81 -6.958 6.550 -9.321 480 HE1 PHE 81 2HE PHE 81 -9.099 10.074 -6.649 481 HE2 PHE 81 1HE PHE 81 -9.181 6.171 -8.347 482 HZ PHE 81 HZ PHE 81 -10.259 7.929 -7.003 483 H LEU 82 H LEU 82 -4.515 8.068 -5.801 484 HA LEU 82 HA LEU 82 -2.416 6.100 -6.290 485 HB2 LEU 82 2HB LEU 82 -3.685 7.268 -3.864 486 HB3 LEU 82 1HB LEU 82 -2.962 5.676 -3.743 487 HG LEU 82 HG LEU 82 -1.404 7.400 -3.017 488 HD11 LEU 82 1HD1 LEU 82 0.065 5.896 -3.745 489 HD12 LEU 82 2HD1 LEU 82 0.221 6.887 -5.199 490 HD13 LEU 82 3HD1 LEU 82 -0.905 5.526 -5.171 491 HD21 LEU 82 3HD2 LEU 82 -1.282 8.456 -5.819 492 HD22 LEU 82 1HD2 LEU 82 -0.717 9.191 -4.319 493 HD23 LEU 82 2HD2 LEU 82 -2.443 9.107 -4.661 494 H CYS 83 H CYS 83 -3.197 4.374 -7.350 495 HA CYS 83 HA CYS 83 -5.679 3.148 -6.373 496 HB2 CYS 83 2HB CYS 83 -5.128 3.878 -8.912 497 HB3 CYS 83 1HB CYS 83 -4.512 2.232 -8.937 498 HG CYS 83 HG CYS 83 -7.399 2.542 -7.932 499 H ILE 84 H ILE 84 -5.412 1.451 -5.110 500 HA ILE 84 HA ILE 84 -2.903 -0.003 -5.072 501 HB ILE 84 HB ILE 84 -5.386 -0.323 -3.406 502 HG12 ILE 84 2HG1 ILE 84 -3.933 1.822 -3.288 503 HG13 ILE 84 1HG1 ILE 84 -4.429 1.034 -1.795 504 HG21 ILE 84 1HG2 ILE 84 -2.699 -1.637 -3.179 505 HG22 ILE 84 2HG2 ILE 84 -4.270 -2.411 -3.386 506 HG23 ILE 84 3HG2 ILE 84 -3.877 -1.601 -1.869 507 HD11 ILE 84 3HD1 ILE 84 -1.949 -0.059 -2.689 508 HD12 ILE 84 1HD1 ILE 84 -2.327 0.784 -1.189 509 HD13 ILE 84 2HD1 ILE 84 -1.845 1.700 -2.617 510 H PHE 85 H PHE 85 -2.615 -2.138 -5.579 511 HA PHE 85 HA PHE 85 -4.891 -3.573 -6.761 512 HB2 PHE 85 2HB PHE 85 -2.694 -2.575 -8.187 513 HB3 PHE 85 1HB PHE 85 -2.377 -4.298 -8.011 514 HD1 PHE 85 1HD PHE 85 -5.636 -2.558 -8.384 515 HD2 PHE 85 2HD PHE 85 -2.757 -5.158 -10.132 516 HE1 PHE 85 1HE PHE 85 -7.189 -3.027 -10.235 517 HE2 PHE 85 2HE PHE 85 -4.304 -5.631 -11.987 518 HZ PHE 85 HZ PHE 85 -6.523 -4.564 -12.040 519 H ILE 86 H ILE 86 -5.104 -4.728 -4.818 520 HA ILE 86 HA ILE 86 -2.845 -6.367 -3.952 521 HB ILE 86 HB ILE 86 -3.939 -5.296 -2.145 522 HG12 ILE 86 2HG1 ILE 86 -4.911 -8.163 -2.241 523 HG13 ILE 86 1HG1 ILE 86 -3.317 -7.637 -1.712 524 HG21 ILE 86 1HG2 ILE 86 -6.478 -6.000 -1.813 525 HG22 ILE 86 2HG2 ILE 86 -6.411 -6.084 -3.572 526 HG23 ILE 86 3HG2 ILE 86 -6.006 -4.580 -2.746 527 HD11 ILE 86 3HD1 ILE 86 -4.497 -6.296 0.070 528 HD12 ILE 86 1HD1 ILE 86 -4.561 -8.051 0.238 529 HD13 ILE 86 2HD1 ILE 86 -5.962 -7.172 -0.376 530 HA PRO 87 HA PRO 87 -4.892 -9.688 -6.281 531 HB2 PRO 87 2HB PRO 87 -2.384 -11.027 -6.495 532 HB3 PRO 87 1HB PRO 87 -3.221 -10.103 -7.746 533 HG2 PRO 87 2HG PRO 87 -0.820 -9.379 -6.557 534 HG3 PRO 87 1HG PRO 87 -1.902 -8.283 -7.431 535 HD2 PRO 87 2HD PRO 87 -1.591 -8.701 -4.491 536 HD3 PRO 87 1HD PRO 87 -1.899 -7.204 -5.393 537 H THR 88 H THR 88 -5.980 -11.199 -5.113 538 HA THR 88 HA THR 88 -4.616 -13.237 -3.695 539 HB THR 88 HB THR 88 -4.280 -11.443 -2.061 540 HG1 THR 88 1HG THR 88 -6.247 -13.129 -0.961 541 HG21 THR 88 3HG2 THR 88 -7.235 -11.149 -2.279 542 HG22 THR 88 1HG2 THR 88 -5.981 -9.913 -2.189 543 HG23 THR 88 2HG2 THR 88 -6.432 -10.818 -0.744 544 H LEU 89 H LEU 89 -6.190 -14.549 -2.302 545 HA LEU 89 HA LEU 89 -8.749 -14.711 -3.742 546 HB2 LEU 89 2HB LEU 89 -7.577 -16.713 -4.103 547 HB3 LEU 89 1HB LEU 89 -6.988 -16.773 -2.454 548 HG LEU 89 HG LEU 89 -9.110 -17.486 -1.627 549 HD11 LEU 89 1HD1 LEU 89 -10.936 -16.641 -2.576 550 HD12 LEU 89 2HD1 LEU 89 -10.771 -17.905 -3.795 551 HD13 LEU 89 3HD1 LEU 89 -10.091 -16.304 -4.087 552 HD21 LEU 89 3HD2 LEU 89 -7.641 -19.165 -2.766 553 HD22 LEU 89 1HD2 LEU 89 -8.657 -18.992 -4.196 554 HD23 LEU 89 2HD2 LEU 89 -9.347 -19.604 -2.693 555 H PHE 90 H PHE 90 -9.952 -13.313 -2.461 556 HA PHE 90 HA PHE 90 -9.976 -13.312 0.347 557 HB2 PHE 90 2HB PHE 90 -12.299 -12.243 0.011 558 HB3 PHE 90 1HB PHE 90 -10.892 -11.390 -0.611 559 HD1 PHE 90 1HD PHE 90 -13.906 -13.266 -1.489 560 HD2 PHE 90 2HD PHE 90 -10.524 -11.163 -2.987 561 HE1 PHE 90 1HE PHE 90 -14.949 -13.184 -3.714 562 HE2 PHE 90 2HE PHE 90 -11.561 -11.075 -5.215 563 HZ PHE 90 HZ PHE 90 -13.777 -12.086 -5.582 564 H ASP 91 H ASP 91 -10.043 -15.487 0.957 565 HA ASP 91 HA ASP 91 -12.567 -16.467 1.670 566 HB2 ASP 91 2HB ASP 91 -12.412 -16.952 -0.897 567 HB3 ASP 91 1HB ASP 91 -11.347 -18.268 -0.399 568 H MET 92 H MET 92 -9.251 -17.383 0.839 569 HA MET 92 HA MET 92 -8.980 -19.633 2.434 570 HB2 MET 92 2HB MET 92 -6.510 -18.895 2.578 571 HB3 MET 92 1HB MET 92 -7.190 -19.246 0.990 572 HG2 MET 92 2HG MET 92 -6.496 -17.259 0.318 573 HG3 MET 92 1HG MET 92 -7.654 -16.520 1.421 574 HE1 MET 92 3HE MET 92 -5.782 -14.504 1.042 575 HE2 MET 92 1HE MET 92 -4.945 -14.178 2.560 576 HE3 MET 92 2HE MET 92 -6.684 -14.472 2.557 577 H ASN 93 H ASN 93 -8.032 -16.304 3.318 578 HA ASN 93 HA ASN 93 -7.451 -16.888 6.000 579 HB2 ASN 93 2HB ASN 93 -7.799 -14.475 4.361 580 HB3 ASN 93 1HB ASN 93 -8.205 -14.250 6.060 581 HD21 ASN 93 1HD2 ASN 93 -6.588 -14.795 7.640 582 HD22 ASN 93 2HD2 ASN 93 -4.915 -14.660 7.232 583 H ASN 94 H ASN 94 -10.450 -16.410 4.357 584 HA ASN 94 HA ASN 94 -12.620 -16.314 5.043 585 HB2 ASN 94 2HB ASN 94 -11.373 -18.470 6.298 586 HB3 ASN 94 1HB ASN 94 -12.277 -17.682 7.587 587 HD21 ASN 94 1HD2 ASN 94 -14.434 -17.898 7.663 588 HD22 ASN 94 2HD2 ASN 94 -15.373 -18.773 6.506 589 H MET 95 H MET 95 -10.849 -14.153 5.936 590 HA MET 95 HA MET 95 -12.430 -13.265 8.254 591 HB2 MET 95 2HB MET 95 -9.467 -12.972 7.791 592 HB3 MET 95 1HB MET 95 -10.344 -11.947 8.919 593 HG2 MET 95 2HG MET 95 -11.160 -14.229 9.894 594 HG3 MET 95 1HG MET 95 -9.726 -14.854 9.083 595 HE1 MET 95 3HE MET 95 -11.208 -12.252 11.185 596 HE2 MET 95 1HE MET 95 -9.864 -11.416 11.961 597 HE3 MET 95 2HE MET 95 -10.572 -12.842 12.719 598 H ASP 96 H ASP 96 -9.927 -11.582 6.391 599 HA ASP 96 HA ASP 96 -11.600 -10.150 4.672 600 HB2 ASP 96 2HB ASP 96 -11.511 -9.141 7.413 601 HB3 ASP 96 1HB ASP 96 -11.036 -7.930 6.226 602 H LEU 97 H LEU 97 -8.912 -9.251 6.844 603 HA LEU 97 HA LEU 97 -6.732 -8.733 6.415 604 HB2 LEU 97 2HB LEU 97 -7.170 -9.420 3.519 605 HB3 LEU 97 1HB LEU 97 -5.665 -9.427 4.419 606 HG LEU 97 HG LEU 97 -7.912 -11.326 5.054 607 HD11 LEU 97 1HD1 LEU 97 -5.601 -12.322 3.529 608 HD12 LEU 97 2HD1 LEU 97 -6.736 -11.317 2.628 609 HD13 LEU 97 3HD1 LEU 97 -7.303 -12.774 3.443 610 HD21 LEU 97 3HD2 LEU 97 -5.034 -11.909 5.481 611 HD22 LEU 97 1HD2 LEU 97 -6.441 -12.378 6.436 612 HD23 LEU 97 2HD2 LEU 97 -5.803 -10.738 6.553 613 H LEU 98 H LEU 98 -8.600 -7.829 3.505 614 HA LEU 98 HA LEU 98 -7.282 -5.488 2.888 615 HB2 LEU 98 2HB LEU 98 -10.186 -6.215 2.553 616 HB3 LEU 98 1HB LEU 98 -9.474 -4.770 1.862 617 HG LEU 98 HG LEU 98 -8.091 -7.296 1.215 618 HD11 LEU 98 1HD1 LEU 98 -10.461 -6.796 -0.460 619 HD12 LEU 98 2HD1 LEU 98 -10.774 -7.492 1.131 620 HD13 LEU 98 3HD1 LEU 98 -9.694 -8.314 0.005 621 HD21 LEU 98 3HD2 LEU 98 -8.786 -4.713 -0.108 622 HD22 LEU 98 1HD2 LEU 98 -8.352 -6.110 -1.095 623 HD23 LEU 98 2HD2 LEU 98 -7.213 -5.485 0.098 624 H LYS 99 H LYS 99 -9.467 -6.094 5.502 625 HA LYS 99 HA LYS 99 -10.556 -3.666 6.081 626 HB2 LYS 99 2HB LYS 99 -10.261 -6.070 7.413 627 HB3 LYS 99 1HB LYS 99 -9.440 -4.929 8.467 628 HG2 LYS 99 2HG LYS 99 -11.486 -4.610 9.317 629 HG3 LYS 99 1HG LYS 99 -11.710 -3.559 7.918 630 HD2 LYS 99 2HD LYS 99 -12.365 -6.499 7.877 631 HD3 LYS 99 1HD LYS 99 -13.536 -5.263 8.345 632 HE2 LYS 99 2HE LYS 99 -12.058 -4.958 5.774 633 HE3 LYS 99 1HE LYS 99 -13.383 -6.118 5.864 634 HZ1 LYS 99 3HZ LYS 99 -14.528 -3.995 6.982 635 HZ2 LYS 99 1HZ LYS 99 -14.586 -4.314 5.316 636 HZ3 LYS 99 2HZ LYS 99 -13.457 -3.213 5.930 637 H GLN 100 H GLN 100 -7.205 -4.578 6.350 638 HA GLN 100 HA GLN 100 -6.452 -2.331 7.976 639 HB2 GLN 100 2HB GLN 100 -5.233 -4.731 7.122 640 HB3 GLN 100 1HB GLN 100 -4.246 -3.425 6.479 641 HG2 GLN 100 2HG GLN 100 -3.328 -3.093 8.457 642 HG3 GLN 100 1HG GLN 100 -4.915 -2.838 9.189 643 HE21 GLN 100 1HE2 GLN 100 -6.040 -5.321 8.892 644 HE22 GLN 100 2HE2 GLN 100 -5.171 -6.472 9.842 645 H ALA 101 H ALA 101 -5.792 -3.245 4.602 646 HA ALA 101 HA ALA 101 -4.667 -0.828 3.782 647 HB1 ALA 101 1HB ALA 101 -5.746 -3.228 2.513 648 HB2 ALA 101 2HB ALA 101 -4.311 -2.283 2.115 649 HB3 ALA 101 3HB ALA 101 -5.892 -1.776 1.521 650 H LEU 102 H LEU 102 -8.030 -1.933 3.764 651 HA LEU 102 HA LEU 102 -9.150 0.286 2.454 652 HB2 LEU 102 2HB LEU 102 -10.095 -2.100 3.365 653 HB3 LEU 102 1HB LEU 102 -10.795 -0.997 4.535 654 HG LEU 102 HG LEU 102 -11.096 -0.371 1.631 655 HD11 LEU 102 1HD1 LEU 102 -12.253 -2.703 3.029 656 HD12 LEU 102 2HD1 LEU 102 -11.927 -2.446 1.317 657 HD13 LEU 102 3HD1 LEU 102 -13.357 -1.737 2.049 658 HD21 LEU 102 3HD2 LEU 102 -12.106 1.298 2.792 659 HD22 LEU 102 1HD2 LEU 102 -12.405 0.286 4.205 660 HD23 LEU 102 2HD2 LEU 102 -13.452 0.158 2.794 661 H LEU 103 H LEU 103 -8.197 -0.263 5.764 662 HA LEU 103 HA LEU 103 -9.593 1.955 6.885 663 HB2 LEU 103 2HB LEU 103 -7.993 -0.167 7.830 664 HB3 LEU 103 1HB LEU 103 -7.200 1.311 8.347 665 HG LEU 103 HG LEU 103 -10.112 1.198 8.828 666 HD11 LEU 103 1HD1 LEU 103 -9.894 -0.961 9.555 667 HD12 LEU 103 2HD1 LEU 103 -9.462 -0.083 11.024 668 HD13 LEU 103 3HD1 LEU 103 -8.197 -0.761 9.994 669 HD21 LEU 103 3HD2 LEU 103 -9.059 1.962 11.128 670 HD22 LEU 103 1HD2 LEU 103 -9.198 3.069 9.762 671 HD23 LEU 103 2HD2 LEU 103 -7.659 2.287 10.106 672 H ILE 104 H ILE 104 -6.610 1.584 5.164 673 HA ILE 104 HA ILE 104 -5.440 4.054 6.040 674 HB ILE 104 HB ILE 104 -4.740 2.461 3.579 675 HG12 ILE 104 2HG1 ILE 104 -4.631 1.000 5.519 676 HG13 ILE 104 1HG1 ILE 104 -2.999 1.405 4.996 677 HG21 ILE 104 1HG2 ILE 104 -2.701 3.964 5.083 678 HG22 ILE 104 2HG2 ILE 104 -3.902 4.935 4.228 679 HG23 ILE 104 3HG2 ILE 104 -2.913 3.763 3.343 680 HD11 ILE 104 3HD1 ILE 104 -2.722 2.931 6.793 681 HD12 ILE 104 1HD1 ILE 104 -3.353 1.427 7.462 682 HD13 ILE 104 2HD1 ILE 104 -4.429 2.807 7.241 683 H LEU 105 H LEU 105 -7.157 2.977 3.121 684 HA LEU 105 HA LEU 105 -6.948 5.434 1.743 685 HB2 LEU 105 2HB LEU 105 -8.356 4.522 0.139 686 HB3 LEU 105 1HB LEU 105 -7.570 3.111 0.828 687 HG LEU 105 HG LEU 105 -9.736 3.096 2.367 688 HD11 LEU 105 1HD1 LEU 105 -10.454 4.786 0.021 689 HD12 LEU 105 2HD1 LEU 105 -10.959 4.912 1.699 690 HD13 LEU 105 3HD1 LEU 105 -11.648 3.662 0.670 691 HD21 LEU 105 3HD2 LEU 105 -10.661 1.442 0.920 692 HD22 LEU 105 1HD2 LEU 105 -8.906 1.344 0.784 693 HD23 LEU 105 2HD2 LEU 105 -9.845 2.127 -0.488 694 H HIS 106 H HIS 106 -9.271 4.181 4.055 695 HA HIS 106 HA HIS 106 -11.222 6.207 3.666 696 HB2 HIS 106 2HB HIS 106 -11.517 3.914 4.786 697 HB3 HIS 106 1HB HIS 106 -10.835 4.662 6.225 698 HD1 HIS 106 1HD HIS 106 -13.107 6.679 4.072 699 HD2 HIS 106 2HD HIS 106 -13.308 4.402 7.542 700 HE1 HIS 106 1HE HIS 106 -15.333 7.236 5.117 701 HE2 HIS 106 2HE HIS 106 -15.395 5.911 7.258 702 H ASN 107 H ASN 107 -8.565 5.782 5.973 703 HA ASN 107 HA ASN 107 -9.107 8.093 7.507 704 HB2 ASN 107 2HB ASN 107 -7.428 6.007 7.813 705 HB3 ASN 107 1HB ASN 107 -6.286 7.221 7.244 706 HD21 ASN 107 1HD2 ASN 107 -5.799 6.347 9.650 707 HD22 ASN 107 2HD2 ASN 107 -6.281 7.470 10.875 708 H ASP 108 H ASP 108 -7.420 7.590 4.502 709 HA ASP 108 HA ASP 108 -6.134 10.163 4.507 710 HB2 ASP 108 2HB ASP 108 -5.615 7.858 3.196 711 HB3 ASP 108 1HB ASP 108 -6.487 8.725 1.936 712 H LEU 109 H LEU 109 -9.124 8.813 3.311 713 HA LEU 109 HA LEU 109 -9.732 11.210 1.773 714 HB2 LEU 109 2HB LEU 109 -10.357 8.602 1.375 715 HB3 LEU 109 1HB LEU 109 -11.820 9.163 2.156 716 HG LEU 109 HG LEU 109 -10.715 10.696 -0.166 717 HD11 LEU 109 1HD1 LEU 109 -12.115 9.311 -1.661 718 HD12 LEU 109 2HD1 LEU 109 -12.342 8.168 -0.339 719 HD13 LEU 109 3HD1 LEU 109 -10.729 8.443 -0.995 720 HD21 LEU 109 3HD2 LEU 109 -12.753 11.250 1.435 721 HD22 LEU 109 1HD2 LEU 109 -13.594 10.158 0.328 722 HD23 LEU 109 2HD2 LEU 109 -12.805 11.610 -0.290 723 H HIS 110 H HIS 110 -10.532 9.713 4.815 724 HA HIS 110 HA HIS 110 -12.832 11.327 5.343 725 HB2 HIS 110 2HB HIS 110 -12.258 9.040 6.359 726 HB3 HIS 110 1HB HIS 110 -11.174 9.920 7.428 727 HD1 HIS 110 1HD HIS 110 -14.813 9.417 6.675 728 HD2 HIS 110 2HD HIS 110 -12.420 11.354 9.469 729 HE1 HIS 110 1HE HIS 110 -16.373 10.136 8.522 730 HE2 HIS 110 2HE HIS 110 -14.883 11.214 10.238 731 H GLU 111 H GLU 111 -9.576 12.058 5.255 732 HA GLU 111 HA GLU 111 -9.118 13.634 7.502 733 HB2 GLU 111 2HB GLU 111 -8.146 14.160 4.693 734 HB3 GLU 111 1HB GLU 111 -7.430 14.779 6.173 735 HG2 GLU 111 2HG GLU 111 -6.918 12.468 6.858 736 HG3 GLU 111 1HG GLU 111 -7.568 11.897 5.320 737 H TYR 112 H TYR 112 -10.081 14.866 4.291 738 HA TYR 112 HA TYR 112 -12.042 16.618 5.405 739 HB2 TYR 112 2HB TYR 112 -9.392 17.575 5.355 740 HB3 TYR 112 1HB TYR 112 -10.237 18.384 4.032 741 HD1 TYR 112 1HD TYR 112 -10.138 17.874 7.675 742 HD2 TYR 112 2HD TYR 112 -11.958 20.001 4.473 743 HE1 TYR 112 1HE TYR 112 -11.139 19.431 9.289 744 HE2 TYR 112 2HE TYR 112 -12.963 21.567 6.077 745 HH TYR 112 HH TYR 112 -12.000 21.781 9.291 746 H VAL 113 H VAL 113 -9.873 16.931 2.610 747 HA VAL 113 HA VAL 113 -10.345 17.260 0.392 748 HB VAL 113 HB VAL 113 -10.387 14.803 0.600 749 HG11 VAL 113 1HG1 VAL 113 -12.714 13.744 0.497 750 HG12 VAL 113 2HG1 VAL 113 -13.302 15.270 1.141 751 HG13 VAL 113 3HG1 VAL 113 -12.143 14.311 2.062 752 HG21 VAL 113 3HG2 VAL 113 -11.690 16.365 -1.460 753 HG22 VAL 113 1HG2 VAL 113 -12.323 14.724 -1.392 754 HG23 VAL 113 2HG2 VAL 113 -10.596 14.996 -1.607 755 H GLU 114 H GLU 114 -11.853 19.010 1.904 756 HA GLU 114 HA GLU 114 -14.509 18.966 0.640 757 HB2 GLU 114 2HB GLU 114 -14.190 19.153 3.197 758 HB3 GLU 114 1HB GLU 114 -13.705 20.814 2.868 759 HG2 GLU 114 2HG GLU 114 -15.799 21.485 2.401 760 HG3 GLU 114 1HG GLU 114 -16.224 19.957 1.616 Start of MODEL 13 1 H THR 26 H THR 26 -8.146 -17.937 -8.010 2 HA THR 26 HA THR 26 -7.395 -15.828 -8.416 3 HB THR 26 HB THR 26 -9.733 -15.097 -10.093 4 HG1 THR 26 1HG THR 26 -7.877 -17.067 -10.927 5 HG21 THR 26 3HG2 THR 26 -6.754 -14.935 -10.434 6 HG22 THR 26 1HG2 THR 26 -7.895 -13.612 -10.192 7 HG23 THR 26 2HG2 THR 26 -7.907 -14.522 -11.703 8 H SER 27 H SER 27 -7.467 -14.104 -7.130 9 HA SER 27 HA SER 27 -10.035 -12.953 -6.373 10 HB2 SER 27 2HB SER 27 -9.841 -14.389 -4.533 11 HB3 SER 27 1HB SER 27 -8.089 -14.212 -4.458 12 H LYS 28 H LYS 28 -9.011 -11.399 -7.910 13 HA LYS 28 HA LYS 28 -6.784 -9.859 -6.880 14 HB2 LYS 28 2HB LYS 28 -7.206 -8.461 -8.945 15 HB3 LYS 28 1HB LYS 28 -6.781 -10.141 -9.237 16 HG2 LYS 28 2HG LYS 28 -9.650 -9.745 -9.025 17 HG3 LYS 28 1HG LYS 28 -8.922 -8.783 -10.313 18 HD2 LYS 28 2HD LYS 28 -8.549 -10.587 -11.585 19 HD3 LYS 28 1HD LYS 28 -7.905 -11.512 -10.228 20 HE2 LYS 28 2HE LYS 28 -9.924 -12.540 -11.177 21 HE3 LYS 28 1HE LYS 28 -10.149 -12.058 -9.496 22 HZ1 LYS 28 3HZ LYS 28 -11.142 -10.642 -11.907 23 HZ2 LYS 28 1HZ LYS 28 -11.227 -10.009 -10.340 24 HZ3 LYS 28 2HZ LYS 28 -12.069 -11.423 -10.729 25 H GLN 29 H GLN 29 -7.052 -8.293 -5.437 26 HA GLN 29 HA GLN 29 -9.623 -6.855 -5.406 27 HB2 GLN 29 2HB GLN 29 -8.958 -8.324 -3.388 28 HB3 GLN 29 1HB GLN 29 -7.790 -7.053 -3.030 29 HG2 GLN 29 2HG GLN 29 -9.377 -5.593 -2.360 30 HG3 GLN 29 1HG GLN 29 -10.573 -6.190 -3.510 31 HE21 GLN 29 1HE2 GLN 29 -12.142 -6.180 -1.865 32 HE22 GLN 29 2HE2 GLN 29 -12.185 -7.416 -0.660 33 H GLU 30 H GLU 30 -9.639 -4.653 -5.246 34 HA GLU 30 HA GLU 30 -7.042 -3.293 -5.282 35 HB2 GLU 30 2HB GLU 30 -7.632 -1.980 -7.183 36 HB3 GLU 30 1HB GLU 30 -7.927 -3.662 -7.598 37 HG2 GLU 30 2HG GLU 30 -10.109 -1.850 -6.621 38 HG3 GLU 30 1HG GLU 30 -9.669 -1.973 -8.323 39 H LEU 31 H LEU 31 -6.955 -1.393 -4.205 40 HA LEU 31 HA LEU 31 -9.475 -0.376 -3.078 41 HB2 LEU 31 2HB LEU 31 -6.753 -0.539 -1.794 42 HB3 LEU 31 1HB LEU 31 -8.094 0.350 -1.115 43 HG LEU 31 HG LEU 31 -9.245 -2.081 -1.436 44 HD11 LEU 31 1HD1 LEU 31 -7.595 -3.492 -2.044 45 HD12 LEU 31 2HD1 LEU 31 -7.295 -3.516 -0.307 46 HD13 LEU 31 3HD1 LEU 31 -6.324 -2.481 -1.354 47 HD21 LEU 31 3HD2 LEU 31 -9.536 -1.126 0.627 48 HD22 LEU 31 1HD2 LEU 31 -7.820 -0.756 0.815 49 HD23 LEU 31 2HD2 LEU 31 -8.394 -2.409 1.034 50 H ILE 32 H ILE 32 -9.964 1.543 -3.908 51 HA ILE 32 HA ILE 32 -7.982 3.203 -5.160 52 HB ILE 32 HB ILE 32 -9.930 4.801 -5.434 53 HG12 ILE 32 2HG1 ILE 32 -11.608 2.444 -4.612 54 HG13 ILE 32 1HG1 ILE 32 -11.187 3.720 -3.480 55 HG21 ILE 32 1HG2 ILE 32 -9.361 3.547 -7.304 56 HG22 ILE 32 2HG2 ILE 32 -11.080 3.230 -7.091 57 HG23 ILE 32 3HG2 ILE 32 -9.895 2.039 -6.565 58 HD11 ILE 32 3HD1 ILE 32 -13.187 4.504 -4.196 59 HD12 ILE 32 1HD1 ILE 32 -13.036 3.751 -5.788 60 HD13 ILE 32 2HD1 ILE 32 -12.156 5.238 -5.424 61 H LEU 33 H LEU 33 -6.741 4.626 -4.152 62 HA LEU 33 HA LEU 33 -7.635 5.678 -1.556 63 HB2 LEU 33 2HB LEU 33 -5.275 4.461 -2.217 64 HB3 LEU 33 1HB LEU 33 -4.850 6.156 -2.347 65 HG LEU 33 HG LEU 33 -6.302 5.709 0.089 66 HD11 LEU 33 1HD1 LEU 33 -5.374 3.398 -0.242 67 HD12 LEU 33 2HD1 LEU 33 -4.869 4.203 1.238 68 HD13 LEU 33 3HD1 LEU 33 -3.768 4.105 -0.127 69 HD21 LEU 33 3HD2 LEU 33 -3.441 6.299 0.232 70 HD22 LEU 33 1HD2 LEU 33 -4.823 7.194 0.864 71 HD23 LEU 33 2HD2 LEU 33 -4.348 7.369 -0.833 72 H VAL 34 H VAL 34 -6.231 7.901 -1.219 73 HA VAL 34 HA VAL 34 -6.526 9.600 -3.568 74 HB VAL 34 HB VAL 34 -7.889 10.242 -0.950 75 HG11 VAL 34 1HG1 VAL 34 -8.600 12.272 -1.920 76 HG12 VAL 34 2HG1 VAL 34 -8.078 11.769 -3.533 77 HG13 VAL 34 3HG1 VAL 34 -6.878 12.152 -2.294 78 HG21 VAL 34 3HG2 VAL 34 -9.108 8.531 -2.165 79 HG22 VAL 34 1HG2 VAL 34 -9.053 9.511 -3.633 80 HG23 VAL 34 2HG2 VAL 34 -9.974 10.072 -2.242 81 H LEU 35 H LEU 35 -4.760 10.695 -3.757 82 HA LEU 35 HA LEU 35 -2.813 10.931 -1.710 83 HB2 LEU 35 2HB LEU 35 -2.850 11.140 -4.454 84 HB3 LEU 35 1HB LEU 35 -2.569 12.796 -3.952 85 HG LEU 35 HG LEU 35 -0.891 10.645 -2.745 86 HD11 LEU 35 1HD1 LEU 35 0.690 10.824 -4.612 87 HD12 LEU 35 2HD1 LEU 35 -0.484 11.792 -5.503 88 HD13 LEU 35 3HD1 LEU 35 -0.844 10.110 -5.112 89 HD21 LEU 35 3HD2 LEU 35 0.596 12.354 -2.331 90 HD22 LEU 35 1HD2 LEU 35 -0.933 13.224 -2.249 91 HD23 LEU 35 2HD2 LEU 35 0.051 13.312 -3.708 92 H LYS 36 H LYS 36 -2.092 12.753 -0.600 93 HA LYS 36 HA LYS 36 -3.735 15.166 -0.747 94 HB2 LYS 36 2HB LYS 36 -3.308 13.470 1.707 95 HB3 LYS 36 1HB LYS 36 -3.703 15.174 1.830 96 HG2 LYS 36 2HG LYS 36 -5.439 13.486 0.128 97 HG3 LYS 36 1HG LYS 36 -5.555 13.293 1.877 98 HD2 LYS 36 2HD LYS 36 -7.172 14.925 1.242 99 HD3 LYS 36 1HD LYS 36 -5.838 15.788 2.017 100 HE2 LYS 36 2HE LYS 36 -5.166 16.779 0.082 101 HE3 LYS 36 1HE LYS 36 -5.714 15.439 -0.926 102 HZ1 LYS 36 3HZ LYS 36 -7.290 17.669 0.205 103 HZ2 LYS 36 1HZ LYS 36 -8.044 16.233 -0.260 104 HZ3 LYS 36 2HZ LYS 36 -7.190 17.150 -1.403 105 H GLY 37 H GLY 37 -2.748 16.823 0.935 106 HA2 GLY 37 2HA GLY 37 0.176 16.602 0.949 107 HA3 GLY 37 1HA GLY 37 -0.563 17.992 0.168 108 H GLU 38 H GLU 38 1.142 17.441 2.697 109 HA GLU 38 HA GLU 38 -0.239 19.431 4.315 110 HB2 GLU 38 2HB GLU 38 -0.669 16.856 4.987 111 HB3 GLU 38 1HB GLU 38 0.823 17.141 5.871 112 HG2 GLU 38 2HG GLU 38 -0.580 19.343 6.549 113 HG3 GLU 38 1HG GLU 38 -1.881 18.181 6.347 114 H LEU 39 H LEU 39 1.192 20.941 4.838 115 HA LEU 39 HA LEU 39 3.115 21.977 5.453 116 HB2 LEU 39 2HB LEU 39 3.220 20.017 7.071 117 HB3 LEU 39 1HB LEU 39 4.333 19.270 5.943 118 HG LEU 39 HG LEU 39 5.361 21.838 6.375 119 HD11 LEU 39 1HD1 LEU 39 4.237 20.641 8.888 120 HD12 LEU 39 2HD1 LEU 39 4.103 22.295 8.291 121 HD13 LEU 39 3HD1 LEU 39 5.646 21.698 8.906 122 HD21 LEU 39 3HD2 LEU 39 7.163 20.615 7.524 123 HD22 LEU 39 1HD2 LEU 39 6.678 19.838 6.012 124 HD23 LEU 39 2HD2 LEU 39 6.144 19.170 7.556 125 H ASP 40 H ASP 40 4.275 18.937 3.994 126 HA ASP 40 HA ASP 40 5.212 20.379 1.657 127 HB2 ASP 40 2HB ASP 40 6.969 19.976 3.785 128 HB3 ASP 40 1HB ASP 40 7.375 18.701 2.645 129 H LEU 41 H LEU 41 6.322 18.789 0.107 130 HA LEU 41 HA LEU 41 4.530 16.664 -0.404 131 HB2 LEU 41 2HB LEU 41 7.044 17.673 -1.617 132 HB3 LEU 41 1HB LEU 41 6.563 16.037 -2.014 133 HG LEU 41 HG LEU 41 5.810 17.718 -3.674 134 HD11 LEU 41 1HD1 LEU 41 3.559 16.878 -3.890 135 HD12 LEU 41 2HD1 LEU 41 3.549 16.380 -2.198 136 HD13 LEU 41 3HD1 LEU 41 4.623 15.581 -3.346 137 HD21 LEU 41 3HD2 LEU 41 3.900 18.668 -1.565 138 HD22 LEU 41 1HD2 LEU 41 4.177 19.337 -3.170 139 HD23 LEU 41 2HD2 LEU 41 5.415 19.498 -1.921 140 H HIS 42 H HIS 42 4.422 14.994 0.966 141 HA HIS 42 HA HIS 42 6.939 13.692 1.767 142 HB2 HIS 42 2HB HIS 42 4.694 14.522 3.305 143 HB3 HIS 42 1HB HIS 42 4.752 12.760 3.343 144 HD1 HIS 42 1HD HIS 42 7.862 14.862 3.212 145 HD2 HIS 42 2HD HIS 42 5.692 12.618 5.948 146 HE1 HIS 42 1HE HIS 42 9.333 14.682 5.245 147 HE2 HIS 42 2HE HIS 42 8.033 13.248 6.854 148 H SER 43 H SER 43 3.714 13.198 0.467 149 HA SER 43 HA SER 43 2.767 11.482 -0.672 150 HB2 SER 43 2HB SER 43 5.562 10.396 -1.048 151 HB3 SER 43 1HB SER 43 4.158 10.147 -2.086 152 HG SER 43 HG SER 43 5.158 11.746 -3.109 153 H LYS 44 H LYS 44 2.389 11.102 1.855 154 HA LYS 44 HA LYS 44 3.545 8.789 3.006 155 HB2 LYS 44 2HB LYS 44 1.567 8.949 4.585 156 HB3 LYS 44 1HB LYS 44 2.619 10.355 4.503 157 HG2 LYS 44 2HG LYS 44 0.420 10.482 2.604 158 HG3 LYS 44 1HG LYS 44 -0.117 10.357 4.279 159 HD2 LYS 44 2HD LYS 44 2.079 12.248 3.819 160 HD3 LYS 44 1HD LYS 44 0.556 12.674 3.041 161 HE2 LYS 44 2HE LYS 44 -0.437 13.168 4.998 162 HE3 LYS 44 1HE LYS 44 0.271 11.765 5.805 163 HZ1 LYS 44 3HZ LYS 44 2.002 12.960 6.556 164 HZ2 LYS 44 1HZ LYS 44 0.948 14.271 6.353 165 HZ3 LYS 44 2HZ LYS 44 2.105 13.923 5.169 166 H ASN 45 H ASN 45 1.036 9.253 0.699 167 HA ASN 45 HA ASN 45 -0.586 7.039 1.143 168 HB2 ASN 45 2HB ASN 45 -0.926 7.143 -1.414 169 HB3 ASN 45 1HB ASN 45 -1.393 8.544 -0.454 170 HD21 ASN 45 1HD2 ASN 45 -0.099 7.781 -3.260 171 HD22 ASN 45 2HD2 ASN 45 1.009 9.081 -3.487 172 H MET 46 H MET 46 2.155 7.243 -1.136 173 HA MET 46 HA MET 46 2.180 4.508 -1.764 174 HB2 MET 46 2HB MET 46 4.446 4.917 -2.642 175 HB3 MET 46 1HB MET 46 3.301 6.155 -3.169 176 HG2 MET 46 2HG MET 46 4.680 7.696 -2.421 177 HG3 MET 46 1HG MET 46 4.422 7.105 -0.783 178 HE1 MET 46 3HE MET 46 6.644 5.820 -4.014 179 HE2 MET 46 1HE MET 46 8.080 6.649 -3.420 180 HE3 MET 46 2HE MET 46 6.598 7.558 -3.723 181 H LYS 47 H LYS 47 3.603 6.324 0.849 182 HA LYS 47 HA LYS 47 5.303 4.198 1.750 183 HB2 LYS 47 2HB LYS 47 5.266 6.884 2.179 184 HB3 LYS 47 1HB LYS 47 4.539 6.301 3.673 185 HG2 LYS 47 2HG LYS 47 6.471 5.451 4.431 186 HG3 LYS 47 1HG LYS 47 6.964 4.876 2.837 187 HD2 LYS 47 2HD LYS 47 7.643 7.108 2.204 188 HD3 LYS 47 1HD LYS 47 7.067 7.747 3.745 189 HE2 LYS 47 2HE LYS 47 9.169 7.462 4.457 190 HE3 LYS 47 1HE LYS 47 8.764 5.744 4.529 191 HZ1 LYS 47 3HZ LYS 47 10.116 7.177 2.313 192 HZ2 LYS 47 1HZ LYS 47 9.555 5.584 2.190 193 HZ3 LYS 47 2HZ LYS 47 10.766 5.969 3.306 194 H ASN 48 H ASN 48 2.007 5.107 2.205 195 HA ASN 48 HA ASN 48 1.612 3.747 4.691 196 HB2 ASN 48 2HB ASN 48 0.191 5.645 3.694 197 HB3 ASN 48 1HB ASN 48 -0.555 4.396 2.703 198 HD21 ASN 48 1HD2 ASN 48 -1.188 6.167 5.219 199 HD22 ASN 48 2HD2 ASN 48 -2.056 5.067 6.220 200 H VAL 49 H VAL 49 1.305 2.909 1.292 201 HA VAL 49 HA VAL 49 0.031 0.387 1.830 202 HB VAL 49 HB VAL 49 1.379 1.193 -0.741 203 HG11 VAL 49 1HG1 VAL 49 -0.063 -0.407 -1.767 204 HG12 VAL 49 2HG1 VAL 49 -0.955 -0.652 -0.269 205 HG13 VAL 49 3HG1 VAL 49 0.717 -1.195 -0.399 206 HG21 VAL 49 3HG2 VAL 49 -0.588 2.249 -1.470 207 HG22 VAL 49 1HG2 VAL 49 -0.324 2.865 0.161 208 HG23 VAL 49 2HG2 VAL 49 -1.531 1.615 -0.123 209 H ILE 50 H ILE 50 3.295 1.460 0.968 210 HA ILE 50 HA ILE 50 4.444 -1.085 0.692 211 HB ILE 50 HB ILE 50 5.551 0.988 -0.055 212 HG12 ILE 50 2HG1 ILE 50 7.431 -0.238 1.920 213 HG13 ILE 50 1HG1 ILE 50 6.724 -1.266 0.676 214 HG21 ILE 50 1HG2 ILE 50 6.297 1.469 2.816 215 HG22 ILE 50 2HG2 ILE 50 4.934 2.271 2.037 216 HG23 ILE 50 3HG2 ILE 50 6.567 2.519 1.427 217 HD11 ILE 50 3HD1 ILE 50 9.009 0.217 0.427 218 HD12 ILE 50 1HD1 ILE 50 7.806 1.232 -0.369 219 HD13 ILE 50 2HD1 ILE 50 8.052 -0.432 -0.905 220 H ASN 51 H ASN 51 3.905 0.956 3.509 221 HA ASN 51 HA ASN 51 5.410 -0.669 5.312 222 HB2 ASN 51 2HB ASN 51 4.422 1.846 5.456 223 HB3 ASN 51 1HB ASN 51 3.211 0.984 6.402 224 HD21 ASN 51 1HD2 ASN 51 5.712 2.831 6.835 225 HD22 ASN 51 2HD2 ASN 51 6.460 2.115 8.215 226 H ASN 52 H ASN 52 1.926 -0.253 4.720 227 HA ASN 52 HA ASN 52 1.114 -2.265 6.535 228 HB2 ASN 52 2HB ASN 52 -0.150 -0.545 4.532 229 HB3 ASN 52 1HB ASN 52 -0.912 -2.128 4.661 230 HD21 ASN 52 1HD2 ASN 52 -0.625 0.949 5.993 231 HD22 ASN 52 2HD2 ASN 52 -1.522 0.677 7.444 232 H ALA 53 H ALA 53 1.466 -2.274 2.994 233 HA ALA 53 HA ALA 53 0.732 -4.918 2.532 234 HB1 ALA 53 1HB ALA 53 1.123 -3.103 0.820 235 HB2 ALA 53 2HB ALA 53 1.731 -4.704 0.396 236 HB3 ALA 53 3HB ALA 53 2.845 -3.459 0.963 237 H LYS 54 H LYS 54 3.697 -3.590 3.781 238 HA LYS 54 HA LYS 54 5.250 -5.976 3.372 239 HB2 LYS 54 2HB LYS 54 5.681 -3.312 4.602 240 HB3 LYS 54 1HB LYS 54 6.665 -4.627 5.228 241 HG2 LYS 54 2HG LYS 54 7.228 -5.115 2.776 242 HG3 LYS 54 1HG LYS 54 6.580 -3.506 2.454 243 HD2 LYS 54 2HD LYS 54 8.741 -4.054 4.481 244 HD3 LYS 54 1HD LYS 54 9.069 -3.613 2.804 245 HE2 LYS 54 2HE LYS 54 9.116 -1.543 3.725 246 HE3 LYS 54 1HE LYS 54 7.389 -1.643 3.402 247 HZ1 LYS 54 3HZ LYS 54 7.782 -0.856 5.632 248 HZ2 LYS 54 1HZ LYS 54 8.725 -2.213 5.994 249 HZ3 LYS 54 2HZ LYS 54 7.070 -2.384 5.697 250 H LYS 55 H LYS 55 3.985 -4.326 6.273 251 HA LYS 55 HA LYS 55 4.651 -6.288 8.130 252 HB2 LYS 55 2HB LYS 55 3.754 -3.925 8.538 253 HB3 LYS 55 1HB LYS 55 2.152 -4.615 8.311 254 HG2 LYS 55 2HG LYS 55 2.570 -6.162 10.170 255 HG3 LYS 55 1HG LYS 55 4.153 -5.421 10.412 256 HD2 LYS 55 2HD LYS 55 1.581 -3.859 10.501 257 HD3 LYS 55 1HD LYS 55 2.299 -4.606 11.929 258 HE2 LYS 55 2HE LYS 55 3.774 -2.676 10.149 259 HE3 LYS 55 1HE LYS 55 2.858 -2.176 11.566 260 HZ1 LYS 55 3HZ LYS 55 4.832 -2.464 12.573 261 HZ2 LYS 55 1HZ LYS 55 5.413 -3.539 11.402 262 HZ3 LYS 55 2HZ LYS 55 4.372 -4.091 12.615 263 H ASN 56 H ASN 56 1.873 -6.025 5.995 264 HA ASN 56 HA ASN 56 0.388 -8.150 7.167 265 HB2 ASN 56 2HB ASN 56 0.222 -7.024 4.360 266 HB3 ASN 56 1HB ASN 56 -0.992 -8.039 5.146 267 HD21 ASN 56 1HD2 ASN 56 -1.098 -5.284 4.064 268 HD22 ASN 56 2HD2 ASN 56 -1.693 -4.311 5.361 269 H LEU 57 H LEU 57 2.633 -7.932 4.437 270 HA LEU 57 HA LEU 57 2.376 -10.465 3.369 271 HB2 LEU 57 2HB LEU 57 4.695 -8.584 3.612 272 HB3 LEU 57 1HB LEU 57 4.927 -10.182 2.913 273 HG LEU 57 HG LEU 57 2.751 -8.448 1.830 274 HD11 LEU 57 1HD1 LEU 57 5.325 -7.465 2.035 275 HD12 LEU 57 2HD1 LEU 57 4.084 -6.923 0.905 276 HD13 LEU 57 3HD1 LEU 57 5.259 -8.139 0.407 277 HD21 LEU 57 3HD2 LEU 57 3.727 -9.600 -0.285 278 HD22 LEU 57 1HD2 LEU 57 2.731 -10.531 0.832 279 HD23 LEU 57 2HD2 LEU 57 4.487 -10.686 0.878 280 H GLU 58 H GLU 58 4.853 -9.487 5.739 281 HA GLU 58 HA GLU 58 5.768 -12.060 6.318 282 HB2 GLU 58 2HB GLU 58 6.717 -11.073 8.366 283 HB3 GLU 58 1HB GLU 58 7.018 -10.069 6.955 284 HG2 GLU 58 2HG GLU 58 5.731 -8.374 7.710 285 HG3 GLU 58 1HG GLU 58 4.588 -9.452 8.511 286 H LYS 59 H LYS 59 2.969 -10.332 7.438 287 HA LYS 59 HA LYS 59 2.407 -11.756 9.778 288 HB2 LYS 59 2HB LYS 59 1.094 -9.833 8.136 289 HB3 LYS 59 1HB LYS 59 -0.042 -11.137 8.448 290 HG2 LYS 59 2HG LYS 59 0.442 -10.890 10.876 291 HG3 LYS 59 1HG LYS 59 1.417 -9.473 10.484 292 HD2 LYS 59 2HD LYS 59 -0.660 -8.570 9.315 293 HD3 LYS 59 1HD LYS 59 -1.544 -9.859 10.136 294 HE2 LYS 59 2HE LYS 59 0.230 -8.016 11.687 295 HE3 LYS 59 1HE LYS 59 -1.390 -7.511 11.225 296 HZ1 LYS 59 3HZ LYS 59 -2.340 -8.928 12.674 297 HZ2 LYS 59 1HZ LYS 59 -0.849 -8.828 13.467 298 HZ3 LYS 59 2HZ LYS 59 -1.183 -10.136 12.449 299 H TYR 60 H TYR 60 1.824 -12.509 6.400 300 HA TYR 60 HA TYR 60 0.219 -14.833 6.986 301 HB2 TYR 60 2HB TYR 60 1.548 -14.317 4.339 302 HB3 TYR 60 1HB TYR 60 0.017 -15.129 4.669 303 HD1 TYR 60 1HD TYR 60 -1.832 -13.577 5.760 304 HD2 TYR 60 2HD TYR 60 1.503 -12.169 3.526 305 HE1 TYR 60 1HE TYR 60 -3.039 -11.487 5.288 306 HE2 TYR 60 2HE TYR 60 0.306 -10.073 3.049 307 HH TYR 60 HH TYR 60 -2.549 -9.176 4.670 308 H PHE 61 H PHE 61 3.568 -14.121 6.223 309 HA PHE 61 HA PHE 61 4.368 -16.818 5.792 310 HB2 PHE 61 2HB PHE 61 5.537 -14.405 5.343 311 HB3 PHE 61 1HB PHE 61 6.404 -14.924 6.791 312 HD1 PHE 61 2HD PHE 61 7.039 -17.579 6.624 313 HD2 PHE 61 1HD PHE 61 6.589 -14.869 3.374 314 HE1 PHE 61 2HE PHE 61 8.493 -19.002 5.240 315 HE2 PHE 61 1HE PHE 61 8.041 -16.287 1.985 316 HZ PHE 61 HZ PHE 61 8.996 -18.357 2.917 317 H LYS 62 H LYS 62 3.974 -14.822 8.615 318 HA LYS 62 HA LYS 62 5.427 -16.675 10.315 319 HB2 LYS 62 2HB LYS 62 5.100 -14.007 10.480 320 HB3 LYS 62 1HB LYS 62 3.778 -14.524 11.517 321 HG2 LYS 62 2HG LYS 62 5.159 -15.269 13.140 322 HG3 LYS 62 1HG LYS 62 6.390 -15.809 11.997 323 HD2 LYS 62 2HD LYS 62 7.058 -13.478 11.628 324 HD3 LYS 62 1HD LYS 62 5.835 -12.948 12.784 325 HE2 LYS 62 2HE LYS 62 7.313 -14.904 14.123 326 HE3 LYS 62 1HE LYS 62 8.505 -13.939 13.252 327 HZ1 LYS 62 3HZ LYS 62 8.325 -12.684 15.105 328 HZ2 LYS 62 1HZ LYS 62 6.743 -13.179 15.446 329 HZ3 LYS 62 2HZ LYS 62 7.025 -12.005 14.261 330 H GLU 63 H GLU 63 2.118 -15.854 9.517 331 HA GLU 63 HA GLU 63 1.116 -17.665 11.583 332 HB2 GLU 63 2HB GLU 63 0.194 -15.241 10.648 333 HB3 GLU 63 1HB GLU 63 -0.875 -16.398 9.856 334 HG2 GLU 63 2HG GLU 63 -1.912 -16.943 11.766 335 HG3 GLU 63 1HG GLU 63 -0.426 -16.884 12.714 336 H HIS 64 H HIS 64 0.725 -17.151 8.069 337 HA HIS 64 HA HIS 64 -0.267 -19.903 7.871 338 HB2 HIS 64 2HB HIS 64 -0.686 -17.443 6.245 339 HB3 HIS 64 1HB HIS 64 -0.785 -19.002 5.432 340 HD1 HIS 64 1HD HIS 64 -2.828 -16.642 7.170 341 HD2 HIS 64 2HD HIS 64 -2.726 -20.787 6.885 342 HE1 HIS 64 1HE HIS 64 -5.102 -17.423 7.908 343 HE2 HIS 64 2HE HIS 64 -4.984 -19.938 7.817 344 H PHE 65 H PHE 65 2.615 -18.640 7.830 345 HA PHE 65 HA PHE 65 4.603 -18.995 6.748 346 HB2 PHE 65 2HB PHE 65 3.428 -21.408 7.500 347 HB3 PHE 65 1HB PHE 65 4.011 -21.693 5.858 348 HD1 PHE 65 2HD PHE 65 6.397 -19.782 6.037 349 HD2 PHE 65 1HD PHE 65 4.941 -22.827 8.631 350 HE1 PHE 65 2HE PHE 65 8.671 -20.118 6.912 351 HE2 PHE 65 1HE PHE 65 7.214 -23.167 9.511 352 HZ PHE 65 HZ PHE 65 9.083 -21.812 8.651 353 H LYS 66 H LYS 66 5.320 -20.641 4.609 354 HA LYS 66 HA LYS 66 4.763 -18.985 2.415 355 HB2 LYS 66 2HB LYS 66 6.678 -20.752 2.865 356 HB3 LYS 66 1HB LYS 66 5.597 -21.819 1.980 357 HG2 LYS 66 2HG LYS 66 5.644 -19.603 0.382 358 HG3 LYS 66 1HG LYS 66 7.289 -19.642 1.022 359 HD2 LYS 66 2HD LYS 66 7.769 -21.665 0.034 360 HD3 LYS 66 1HD LYS 66 6.078 -22.166 -0.007 361 HE2 LYS 66 2HE LYS 66 6.018 -19.992 -1.629 362 HE3 LYS 66 1HE LYS 66 7.640 -20.605 -1.948 363 HZ1 LYS 66 3HZ LYS 66 6.844 -22.442 -2.953 364 HZ2 LYS 66 1HZ LYS 66 5.481 -21.474 -3.215 365 HZ3 LYS 66 2HZ LYS 66 5.503 -22.577 -1.932 366 H GLU 67 H GLU 67 2.794 -18.741 1.582 367 HA GLU 67 HA GLU 67 1.514 -20.740 0.115 368 HB2 GLU 67 2HB GLU 67 0.962 -21.722 2.290 369 HB3 GLU 67 1HB GLU 67 0.232 -20.207 2.802 370 HG2 GLU 67 2HG GLU 67 -1.631 -20.505 1.511 371 HG3 GLU 67 1HG GLU 67 -0.792 -21.521 0.340 372 H PHE 68 H PHE 68 1.099 -17.809 2.021 373 HA PHE 68 HA PHE 68 -1.152 -16.749 0.779 374 HB2 PHE 68 2HB PHE 68 -0.426 -14.593 1.622 375 HB3 PHE 68 1HB PHE 68 -0.101 -15.831 2.829 376 HD1 PHE 68 2HD PHE 68 2.245 -16.679 3.100 377 HD2 PHE 68 1HD PHE 68 1.297 -13.264 0.744 378 HE1 PHE 68 2HE PHE 68 4.596 -15.965 3.196 379 HE2 PHE 68 1HE PHE 68 3.647 -12.544 0.835 380 HZ PHE 68 HZ PHE 68 5.301 -13.895 2.063 381 H ASP 69 H ASP 69 -1.341 -15.036 -0.787 382 HA ASP 69 HA ASP 69 0.324 -15.512 -3.093 383 HB2 ASP 69 2HB ASP 69 -2.315 -14.858 -2.766 384 HB3 ASP 69 1HB ASP 69 -1.622 -13.308 -3.231 385 H LYS 70 H LYS 70 0.058 -12.789 -4.174 386 HA LYS 70 HA LYS 70 2.055 -11.417 -2.494 387 HB2 LYS 70 2HB LYS 70 2.929 -12.481 -4.635 388 HB3 LYS 70 1HB LYS 70 1.973 -11.289 -5.506 389 HG2 LYS 70 2HG LYS 70 3.279 -9.615 -3.936 390 HG3 LYS 70 1HG LYS 70 4.444 -10.940 -3.904 391 HD2 LYS 70 2HD LYS 70 3.836 -10.782 -6.563 392 HD3 LYS 70 1HD LYS 70 3.746 -9.091 -6.068 393 HE2 LYS 70 2HE LYS 70 6.042 -10.081 -4.835 394 HE3 LYS 70 1HE LYS 70 6.058 -10.782 -6.453 395 HZ1 LYS 70 3HZ LYS 70 7.191 -8.668 -6.441 396 HZ2 LYS 70 1HZ LYS 70 5.829 -7.894 -5.801 397 HZ3 LYS 70 2HZ LYS 70 5.777 -8.544 -7.362 398 H ILE 71 H ILE 71 2.020 -9.120 -2.511 399 HA ILE 71 HA ILE 71 -0.516 -8.000 -3.510 400 HB ILE 71 HB ILE 71 0.983 -6.870 -1.162 401 HG12 ILE 71 2HG1 ILE 71 -1.284 -8.864 -1.127 402 HG13 ILE 71 1HG1 ILE 71 0.386 -9.225 -0.708 403 HG21 ILE 71 1HG2 ILE 71 -1.683 -6.362 -0.847 404 HG22 ILE 71 2HG2 ILE 71 -1.506 -6.304 -2.600 405 HG23 ILE 71 3HG2 ILE 71 -0.522 -5.253 -1.580 406 HD11 ILE 71 3HD1 ILE 71 -1.528 -7.434 0.761 407 HD12 ILE 71 1HD1 ILE 71 0.196 -7.524 1.118 408 HD13 ILE 71 2HD1 ILE 71 -0.820 -8.952 1.315 409 H SER 72 H SER 72 -0.520 -6.038 -4.473 410 HA SER 72 HA SER 72 2.048 -4.687 -4.885 411 HB2 SER 72 2HB SER 72 1.335 -6.346 -6.772 412 HB3 SER 72 1HB SER 72 0.201 -5.070 -7.216 413 HG SER 72 HG SER 72 1.844 -3.759 -7.731 414 H TYR 73 H TYR 73 1.716 -2.543 -6.033 415 HA TYR 73 HA TYR 73 -0.872 -1.328 -5.826 416 HB2 TYR 73 2HB TYR 73 -0.388 0.270 -4.103 417 HB3 TYR 73 1HB TYR 73 -0.076 -1.334 -3.459 418 HD1 TYR 73 1HD TYR 73 2.503 -2.103 -3.941 419 HD2 TYR 73 2HD TYR 73 1.112 1.890 -3.490 420 HE1 TYR 73 1HE TYR 73 4.766 -1.397 -3.288 421 HE2 TYR 73 2HE TYR 73 3.371 2.608 -2.836 422 HH TYR 73 HH TYR 73 5.917 1.430 -3.414 423 H ASP 74 H ASP 74 -0.938 0.812 -6.696 424 HA ASP 74 HA ASP 74 1.507 1.866 -7.861 425 HB2 ASP 74 2HB ASP 74 0.250 0.129 -9.429 426 HB3 ASP 74 1HB ASP 74 -0.756 1.531 -9.778 427 H ILE 75 H ILE 75 1.193 3.988 -8.857 428 HA ILE 75 HA ILE 75 -1.083 5.412 -7.640 429 HB ILE 75 HB ILE 75 1.035 6.092 -6.651 430 HG12 ILE 75 2HG1 ILE 75 0.168 8.294 -8.526 431 HG13 ILE 75 1HG1 ILE 75 -0.812 7.774 -7.160 432 HG21 ILE 75 1HG2 ILE 75 1.953 5.922 -9.370 433 HG22 ILE 75 2HG2 ILE 75 2.883 6.017 -7.875 434 HG23 ILE 75 3HG2 ILE 75 2.352 7.493 -8.675 435 HD11 ILE 75 3HD1 ILE 75 2.009 8.769 -6.921 436 HD12 ILE 75 1HD1 ILE 75 0.879 8.448 -5.614 437 HD13 ILE 75 2HD1 ILE 75 0.575 9.777 -6.724 438 H SER 76 H SER 76 -2.337 6.692 -8.893 439 HA SER 76 HA SER 76 -1.721 6.741 -11.766 440 HB2 SER 76 2HB SER 76 -4.402 7.328 -10.509 441 HB3 SER 76 1HB SER 76 -4.056 6.921 -12.189 442 HG SER 76 HG SER 76 -3.451 4.830 -11.477 443 H THR 77 H THR 77 -0.302 8.528 -11.613 444 HA THR 77 HA THR 77 -0.881 10.991 -10.430 445 HB THR 77 HB THR 77 0.670 11.661 -12.612 446 HG1 THR 77 1HG THR 77 1.615 9.946 -13.348 447 HG21 THR 77 3HG2 THR 77 2.269 12.030 -11.103 448 HG22 THR 77 1HG2 THR 77 2.181 10.397 -10.449 449 HG23 THR 77 2HG2 THR 77 1.019 11.614 -9.927 450 HA PRO 78 HA PRO 78 -2.393 12.570 -14.823 451 HB2 PRO 78 2HB PRO 78 -3.347 10.451 -16.357 452 HB3 PRO 78 1HB PRO 78 -1.833 11.302 -16.620 453 HG2 PRO 78 2HG PRO 78 -2.336 8.717 -15.230 454 HG3 PRO 78 1HG PRO 78 -0.977 9.190 -16.265 455 HD2 PRO 78 2HD PRO 78 -0.721 9.081 -13.607 456 HD3 PRO 78 1HD PRO 78 0.077 10.354 -14.554 457 H ILE 79 H ILE 79 -3.717 9.860 -13.066 458 HA ILE 79 HA ILE 79 -6.458 10.663 -13.645 459 HB ILE 79 HB ILE 79 -5.548 8.438 -11.823 460 HG12 ILE 79 2HG1 ILE 79 -4.623 8.076 -14.057 461 HG13 ILE 79 1HG1 ILE 79 -5.926 6.928 -13.738 462 HG21 ILE 79 1HG2 ILE 79 -8.140 9.416 -12.822 463 HG22 ILE 79 2HG2 ILE 79 -7.741 8.581 -11.323 464 HG23 ILE 79 3HG2 ILE 79 -7.918 7.666 -12.821 465 HD11 ILE 79 3HD1 ILE 79 -7.144 9.124 -14.941 466 HD12 ILE 79 1HD1 ILE 79 -6.821 7.540 -15.658 467 HD13 ILE 79 2HD1 ILE 79 -5.655 8.855 -15.844 468 H ASN 80 H ASN 80 -4.057 11.250 -11.305 469 HA ASN 80 HA ASN 80 -4.036 12.452 -9.374 470 HB2 ASN 80 2HB ASN 80 -5.520 13.975 -10.716 471 HB3 ASN 80 1HB ASN 80 -6.906 13.159 -10.004 472 HD21 ASN 80 1HD2 ASN 80 -4.027 15.035 -9.256 473 HD22 ASN 80 2HD2 ASN 80 -4.628 15.716 -7.786 474 H PHE 81 H PHE 81 -5.148 9.636 -9.577 475 HA PHE 81 HA PHE 81 -6.249 9.565 -6.864 476 HB2 PHE 81 2HB PHE 81 -7.512 8.551 -9.346 477 HB3 PHE 81 1HB PHE 81 -7.587 7.486 -7.945 478 HD1 PHE 81 1HD PHE 81 -8.120 11.084 -8.785 479 HD2 PHE 81 2HD PHE 81 -9.415 7.672 -6.582 480 HE1 PHE 81 1HE PHE 81 -10.038 12.367 -7.915 481 HE2 PHE 81 2HE PHE 81 -11.324 8.950 -5.716 482 HZ PHE 81 HZ PHE 81 -11.641 11.307 -6.379 483 H LEU 82 H LEU 82 -6.213 7.258 -5.991 484 HA LEU 82 HA LEU 82 -3.660 6.041 -6.781 485 HB2 LEU 82 2HB LEU 82 -5.130 6.293 -4.211 486 HB3 LEU 82 1HB LEU 82 -4.144 4.863 -4.443 487 HG LEU 82 HG LEU 82 -2.864 6.516 -3.256 488 HD11 LEU 82 1HD1 LEU 82 -1.775 5.105 -5.024 489 HD12 LEU 82 2HD1 LEU 82 -0.923 6.593 -4.617 490 HD13 LEU 82 3HD1 LEU 82 -1.876 6.500 -6.097 491 HD21 LEU 82 3HD2 LEU 82 -2.496 8.538 -5.230 492 HD22 LEU 82 1HD2 LEU 82 -3.152 8.690 -3.598 493 HD23 LEU 82 2HD2 LEU 82 -4.229 8.335 -4.950 494 H CYS 83 H CYS 83 -3.519 3.929 -7.365 495 HA CYS 83 HA CYS 83 -6.016 2.368 -7.373 496 HB2 CYS 83 2HB CYS 83 -4.032 2.843 -9.568 497 HB3 CYS 83 1HB CYS 83 -4.924 1.317 -9.516 498 HG CYS 83 HG CYS 83 -6.972 3.403 -9.376 499 H ILE 84 H ILE 84 -5.540 1.115 -5.611 500 HA ILE 84 HA ILE 84 -2.988 -0.234 -5.395 501 HB ILE 84 HB ILE 84 -5.472 -0.215 -3.707 502 HG12 ILE 84 2HG1 ILE 84 -3.537 1.548 -3.708 503 HG13 ILE 84 1HG1 ILE 84 -4.249 1.013 -2.193 504 HG21 ILE 84 1HG2 ILE 84 -3.251 -2.189 -3.656 505 HG22 ILE 84 2HG2 ILE 84 -4.973 -2.418 -3.353 506 HG23 ILE 84 3HG2 ILE 84 -3.956 -1.658 -2.129 507 HD11 ILE 84 3HD1 ILE 84 -1.984 -0.588 -3.105 508 HD12 ILE 84 1HD1 ILE 84 -2.355 0.058 -1.509 509 HD13 ILE 84 2HD1 ILE 84 -1.600 1.087 -2.721 510 H PHE 85 H PHE 85 -2.552 -2.283 -5.990 511 HA PHE 85 HA PHE 85 -4.791 -3.984 -6.856 512 HB2 PHE 85 2HB PHE 85 -2.303 -3.236 -8.337 513 HB3 PHE 85 1HB PHE 85 -2.982 -4.843 -8.578 514 HD1 PHE 85 1HD PHE 85 -5.813 -4.471 -8.610 515 HD2 PHE 85 2HD PHE 85 -2.772 -1.931 -10.164 516 HE1 PHE 85 1HE PHE 85 -7.416 -3.550 -10.233 517 HE2 PHE 85 2HE PHE 85 -4.369 -1.006 -11.790 518 HZ PHE 85 HZ PHE 85 -6.696 -1.814 -11.825 519 H ILE 86 H ILE 86 -4.820 -5.422 -5.223 520 HA ILE 86 HA ILE 86 -2.292 -6.668 -4.403 521 HB ILE 86 HB ILE 86 -3.426 -5.822 -2.513 522 HG12 ILE 86 2HG1 ILE 86 -4.266 -8.718 -2.528 523 HG13 ILE 86 1HG1 ILE 86 -2.577 -8.233 -2.421 524 HG21 ILE 86 1HG2 ILE 86 -5.816 -6.611 -2.027 525 HG22 ILE 86 2HG2 ILE 86 -5.884 -7.015 -3.741 526 HG23 ILE 86 3HG2 ILE 86 -5.586 -5.351 -3.239 527 HD11 ILE 86 3HD1 ILE 86 -3.597 -6.739 -0.447 528 HD12 ILE 86 1HD1 ILE 86 -2.992 -8.379 -0.215 529 HD13 ILE 86 2HD1 ILE 86 -4.722 -8.097 -0.410 530 HA PRO 87 HA PRO 87 -4.001 -10.036 -6.980 531 HB2 PRO 87 2HB PRO 87 -1.269 -11.023 -7.056 532 HB3 PRO 87 1HB PRO 87 -2.288 -10.463 -8.385 533 HG2 PRO 87 2HG PRO 87 -0.109 -9.092 -7.507 534 HG3 PRO 87 1HG PRO 87 -1.521 -8.307 -8.237 535 HD2 PRO 87 2HD PRO 87 -0.766 -8.550 -5.355 536 HD3 PRO 87 1HD PRO 87 -1.475 -7.177 -6.221 537 H THR 88 H THR 88 -5.072 -11.305 -5.576 538 HA THR 88 HA THR 88 -3.475 -13.219 -4.033 539 HB THR 88 HB THR 88 -5.877 -11.674 -3.044 540 HG1 THR 88 1HG THR 88 -3.223 -11.882 -2.077 541 HG21 THR 88 3HG2 THR 88 -6.384 -13.396 -1.740 542 HG22 THR 88 1HG2 THR 88 -4.858 -13.096 -0.909 543 HG23 THR 88 2HG2 THR 88 -4.933 -14.279 -2.215 544 H LEU 89 H LEU 89 -4.387 -15.297 -3.806 545 HA LEU 89 HA LEU 89 -6.503 -15.846 -5.767 546 HB2 LEU 89 2HB LEU 89 -4.195 -16.910 -5.941 547 HB3 LEU 89 1HB LEU 89 -4.641 -17.863 -4.538 548 HG LEU 89 HG LEU 89 -6.765 -18.351 -6.152 549 HD11 LEU 89 1HD1 LEU 89 -4.488 -17.542 -7.869 550 HD12 LEU 89 2HD1 LEU 89 -6.224 -17.406 -8.147 551 HD13 LEU 89 3HD1 LEU 89 -5.417 -18.961 -8.354 552 HD21 LEU 89 3HD2 LEU 89 -5.642 -20.486 -6.680 553 HD22 LEU 89 1HD2 LEU 89 -5.494 -20.038 -4.981 554 HD23 LEU 89 2HD2 LEU 89 -4.129 -19.812 -6.075 555 H PHE 90 H PHE 90 -6.666 -15.114 -2.747 556 HA PHE 90 HA PHE 90 -8.031 -15.601 -0.999 557 HB2 PHE 90 2HB PHE 90 -9.939 -15.559 -2.287 558 HB3 PHE 90 1HB PHE 90 -9.407 -16.877 -3.321 559 HD1 PHE 90 2HD PHE 90 -10.242 -16.351 0.285 560 HD2 PHE 90 1HD PHE 90 -10.623 -18.808 -3.170 561 HE1 PHE 90 2HE PHE 90 -11.673 -17.902 1.550 562 HE2 PHE 90 1HE PHE 90 -12.055 -20.363 -1.911 563 HZ PHE 90 HZ PHE 90 -12.581 -19.911 0.452 564 H ASP 91 H ASP 91 -7.436 -16.779 0.672 565 HA ASP 91 HA ASP 91 -7.696 -19.474 1.044 566 HB2 ASP 91 2HB ASP 91 -5.479 -18.951 -0.693 567 HB3 ASP 91 1HB ASP 91 -4.860 -19.581 0.834 568 H MET 92 H MET 92 -5.728 -16.646 1.647 569 HA MET 92 HA MET 92 -5.405 -17.511 4.442 570 HB2 MET 92 2HB MET 92 -3.615 -15.600 4.403 571 HB3 MET 92 1HB MET 92 -3.229 -17.191 3.748 572 HG2 MET 92 2HG MET 92 -2.388 -15.697 2.180 573 HG3 MET 92 1HG MET 92 -3.915 -16.233 1.485 574 HE1 MET 92 3HE MET 92 -2.451 -13.871 0.357 575 HE2 MET 92 1HE MET 92 -1.784 -13.159 1.826 576 HE3 MET 92 2HE MET 92 -2.951 -12.257 0.860 577 H ASN 93 H ASN 93 -6.174 -16.278 6.060 578 HA ASN 93 HA ASN 93 -7.672 -14.846 7.033 579 HB2 ASN 93 2HB ASN 93 -7.005 -12.458 6.801 580 HB3 ASN 93 1HB ASN 93 -5.654 -13.530 7.153 581 HD21 ASN 93 1HD2 ASN 93 -7.228 -11.614 4.701 582 HD22 ASN 93 2HD2 ASN 93 -5.877 -11.525 3.626 583 H ASN 94 H ASN 94 -8.559 -15.898 4.446 584 HA ASN 94 HA ASN 94 -9.721 -14.009 2.782 585 HB2 ASN 94 2HB ASN 94 -11.332 -15.793 2.169 586 HB3 ASN 94 1HB ASN 94 -9.667 -16.365 2.197 587 HD21 ASN 94 1HD2 ASN 94 -9.785 -18.423 2.767 588 HD22 ASN 94 2HD2 ASN 94 -10.614 -19.037 4.152 589 H MET 95 H MET 95 -10.643 -15.013 5.969 590 HA MET 95 HA MET 95 -13.340 -14.264 5.969 591 HB2 MET 95 2HB MET 95 -11.245 -14.620 8.061 592 HB3 MET 95 1HB MET 95 -12.726 -13.796 8.509 593 HG2 MET 95 2HG MET 95 -14.015 -15.737 7.705 594 HG3 MET 95 1HG MET 95 -12.500 -16.565 7.363 595 HE1 MET 95 3HE MET 95 -11.626 -18.117 8.623 596 HE2 MET 95 1HE MET 95 -11.732 -18.379 10.368 597 HE3 MET 95 2HE MET 95 -10.648 -17.143 9.723 598 H ASP 96 H ASP 96 -10.554 -12.408 7.217 599 HA ASP 96 HA ASP 96 -11.480 -9.968 6.072 600 HB2 ASP 96 2HB ASP 96 -12.869 -10.541 8.309 601 HB3 ASP 96 1HB ASP 96 -11.475 -9.738 9.029 602 H LEU 97 H LEU 97 -9.974 -8.302 6.229 603 HA LEU 97 HA LEU 97 -7.797 -8.178 7.965 604 HB2 LEU 97 2HB LEU 97 -7.389 -10.319 6.442 605 HB3 LEU 97 1HB LEU 97 -6.750 -9.103 5.351 606 HG LEU 97 HG LEU 97 -5.442 -8.386 7.576 607 HD11 LEU 97 1HD1 LEU 97 -4.838 -10.193 8.945 608 HD12 LEU 97 2HD1 LEU 97 -5.553 -11.372 7.846 609 HD13 LEU 97 3HD1 LEU 97 -6.587 -10.306 8.785 610 HD21 LEU 97 3HD2 LEU 97 -3.597 -9.937 6.744 611 HD22 LEU 97 1HD2 LEU 97 -4.251 -8.762 5.602 612 HD23 LEU 97 2HD2 LEU 97 -4.755 -10.450 5.517 613 H LEU 98 H LEU 98 -9.063 -7.549 4.760 614 HA LEU 98 HA LEU 98 -7.391 -5.510 3.910 615 HB2 LEU 98 2HB LEU 98 -9.444 -6.684 2.783 616 HB3 LEU 98 1HB LEU 98 -10.338 -5.330 3.442 617 HG LEU 98 HG LEU 98 -8.320 -4.004 2.231 618 HD11 LEU 98 1HD1 LEU 98 -7.150 -5.557 1.073 619 HD12 LEU 98 2HD1 LEU 98 -8.426 -5.276 -0.112 620 HD13 LEU 98 3HD1 LEU 98 -8.515 -6.669 0.965 621 HD21 LEU 98 3HD2 LEU 98 -10.358 -3.189 1.679 622 HD22 LEU 98 1HD2 LEU 98 -11.063 -4.791 1.458 623 HD23 LEU 98 2HD2 LEU 98 -10.046 -4.092 0.191 624 H LYS 99 H LYS 99 -9.641 -5.493 6.511 625 HA LYS 99 HA LYS 99 -10.547 -2.938 6.732 626 HB2 LYS 99 2HB LYS 99 -9.640 -4.943 8.747 627 HB3 LYS 99 1HB LYS 99 -10.016 -3.318 9.293 628 HG2 LYS 99 2HG LYS 99 -12.252 -3.565 8.178 629 HG3 LYS 99 1HG LYS 99 -11.845 -5.268 7.920 630 HD2 LYS 99 2HD LYS 99 -12.937 -5.466 9.913 631 HD3 LYS 99 1HD LYS 99 -11.322 -5.112 10.531 632 HE2 LYS 99 2HE LYS 99 -11.868 -2.831 10.898 633 HE3 LYS 99 1HE LYS 99 -13.375 -2.984 9.997 634 HZ1 LYS 99 3HZ LYS 99 -14.226 -3.207 12.052 635 HZ2 LYS 99 1HZ LYS 99 -12.770 -3.720 12.741 636 HZ3 LYS 99 2HZ LYS 99 -13.738 -4.817 11.891 637 H GLN 100 H GLN 100 -7.247 -4.001 7.056 638 HA GLN 100 HA GLN 100 -6.300 -1.612 8.325 639 HB2 GLN 100 2HB GLN 100 -5.159 -4.141 7.383 640 HB3 GLN 100 1HB GLN 100 -4.098 -2.766 7.119 641 HG2 GLN 100 2HG GLN 100 -5.370 -3.173 9.784 642 HG3 GLN 100 1HG GLN 100 -3.945 -4.106 9.326 643 HE21 GLN 100 1HE2 GLN 100 -2.083 -3.254 9.883 644 HE22 GLN 100 2HE2 GLN 100 -1.762 -1.577 10.148 645 H ALA 101 H ALA 101 -6.292 -2.902 5.029 646 HA ALA 101 HA ALA 101 -4.904 -0.738 3.847 647 HB1 ALA 101 1HB ALA 101 -6.313 -3.132 2.960 648 HB2 ALA 101 2HB ALA 101 -4.858 -2.367 2.318 649 HB3 ALA 101 3HB ALA 101 -6.450 -1.782 1.831 650 H LEU 102 H LEU 102 -8.278 -1.347 4.569 651 HA LEU 102 HA LEU 102 -9.249 0.892 3.049 652 HB2 LEU 102 2HB LEU 102 -10.362 -1.369 4.401 653 HB3 LEU 102 1HB LEU 102 -11.151 0.083 4.999 654 HG LEU 102 HG LEU 102 -10.904 -0.513 2.061 655 HD11 LEU 102 1HD1 LEU 102 -13.124 -1.438 2.114 656 HD12 LEU 102 2HD1 LEU 102 -13.231 -1.175 3.857 657 HD13 LEU 102 3HD1 LEU 102 -12.087 -2.357 3.204 658 HD21 LEU 102 3HD2 LEU 102 -12.951 1.160 3.486 659 HD22 LEU 102 1HD2 LEU 102 -12.535 1.147 1.769 660 HD23 LEU 102 2HD2 LEU 102 -11.406 1.820 2.944 661 H LEU 103 H LEU 103 -8.203 0.289 6.313 662 HA LEU 103 HA LEU 103 -9.385 2.595 7.494 663 HB2 LEU 103 2HB LEU 103 -7.572 0.451 8.295 664 HB3 LEU 103 1HB LEU 103 -7.157 1.991 9.026 665 HG LEU 103 HG LEU 103 -9.927 0.811 9.161 666 HD11 LEU 103 1HD1 LEU 103 -9.377 0.078 11.418 667 HD12 LEU 103 2HD1 LEU 103 -7.712 0.615 11.195 668 HD13 LEU 103 3HD1 LEU 103 -8.344 -0.715 10.223 669 HD21 LEU 103 3HD2 LEU 103 -9.184 3.355 9.603 670 HD22 LEU 103 1HD2 LEU 103 -8.870 2.668 11.195 671 HD23 LEU 103 2HD2 LEU 103 -10.486 2.559 10.490 672 H ILE 104 H ILE 104 -6.428 1.999 5.737 673 HA ILE 104 HA ILE 104 -5.252 4.530 6.503 674 HB ILE 104 HB ILE 104 -3.447 3.946 4.922 675 HG12 ILE 104 2HG1 ILE 104 -5.081 1.437 4.473 676 HG13 ILE 104 1HG1 ILE 104 -4.771 2.695 3.282 677 HG21 ILE 104 1HG2 ILE 104 -2.734 3.134 6.884 678 HG22 ILE 104 2HG2 ILE 104 -3.091 1.555 6.178 679 HG23 ILE 104 3HG2 ILE 104 -4.274 2.345 7.232 680 HD11 ILE 104 3HD1 ILE 104 -2.682 0.937 4.547 681 HD12 ILE 104 1HD1 ILE 104 -2.404 2.173 3.322 682 HD13 ILE 104 2HD1 ILE 104 -3.361 0.743 2.932 683 H LEU 105 H LEU 105 -6.668 3.104 3.565 684 HA LEU 105 HA LEU 105 -6.291 5.400 1.961 685 HB2 LEU 105 2HB LEU 105 -7.624 4.343 0.331 686 HB3 LEU 105 1HB LEU 105 -6.762 3.058 1.148 687 HG LEU 105 HG LEU 105 -8.937 2.868 2.587 688 HD11 LEU 105 1HD1 LEU 105 -9.714 4.669 0.388 689 HD12 LEU 105 2HD1 LEU 105 -10.398 4.480 2.003 690 HD13 LEU 105 3HD1 LEU 105 -10.823 3.340 0.731 691 HD21 LEU 105 3HD2 LEU 105 -9.020 1.949 -0.280 692 HD22 LEU 105 1HD2 LEU 105 -9.726 1.166 1.134 693 HD23 LEU 105 2HD2 LEU 105 -7.974 1.222 0.939 694 H HIS 106 H HIS 106 -8.828 4.384 4.145 695 HA HIS 106 HA HIS 106 -10.669 6.442 3.363 696 HB2 HIS 106 2HB HIS 106 -11.237 4.194 4.465 697 HB3 HIS 106 1HB HIS 106 -10.719 4.935 5.972 698 HD1 HIS 106 1HD HIS 106 -13.326 5.344 3.262 699 HD2 HIS 106 2HD HIS 106 -12.599 6.527 7.177 700 HE1 HIS 106 1HE HIS 106 -15.442 6.463 4.027 701 HE2 HIS 106 2HE HIS 106 -15.010 7.095 6.429 702 H ASN 107 H ASN 107 -8.125 6.063 5.722 703 HA ASN 107 HA ASN 107 -8.768 8.224 7.407 704 HB2 ASN 107 2HB ASN 107 -6.600 6.369 7.086 705 HB3 ASN 107 1HB ASN 107 -5.941 7.995 7.273 706 HD21 ASN 107 1HD2 ASN 107 -5.535 6.011 9.149 707 HD22 ASN 107 2HD2 ASN 107 -6.364 6.438 10.606 708 H ASP 108 H ASP 108 -6.919 8.031 4.410 709 HA ASP 108 HA ASP 108 -6.278 10.862 4.496 710 HB2 ASP 108 2HB ASP 108 -5.727 8.850 2.304 711 HB3 ASP 108 1HB ASP 108 -5.015 10.456 2.465 712 H LEU 109 H LEU 109 -8.808 8.897 3.355 713 HA LEU 109 HA LEU 109 -9.544 10.479 1.084 714 HB2 LEU 109 2HB LEU 109 -10.295 8.008 2.174 715 HB3 LEU 109 1HB LEU 109 -11.738 8.989 2.231 716 HG LEU 109 HG LEU 109 -10.261 9.021 -0.328 717 HD11 LEU 109 1HD1 LEU 109 -10.053 6.689 0.151 718 HD12 LEU 109 2HD1 LEU 109 -11.352 6.893 -1.025 719 HD13 LEU 109 3HD1 LEU 109 -11.739 6.596 0.675 720 HD21 LEU 109 3HD2 LEU 109 -12.196 10.200 -0.533 721 HD22 LEU 109 1HD2 LEU 109 -13.048 9.228 0.670 722 HD23 LEU 109 2HD2 LEU 109 -12.804 8.597 -0.963 723 H HIS 110 H HIS 110 -11.215 9.974 4.203 724 HA HIS 110 HA HIS 110 -12.969 12.153 3.883 725 HB2 HIS 110 2HB HIS 110 -13.482 11.852 6.259 726 HB3 HIS 110 1HB HIS 110 -13.427 10.308 5.423 727 HD1 HIS 110 1HD HIS 110 -12.564 8.670 7.065 728 HD2 HIS 110 2HD HIS 110 -10.462 12.252 7.190 729 HE1 HIS 110 1HE HIS 110 -10.705 8.304 8.716 730 HE2 HIS 110 2HE HIS 110 -9.488 10.514 8.830 731 H GLU 111 H GLU 111 -9.658 12.085 4.689 732 HA GLU 111 HA GLU 111 -9.355 14.201 6.446 733 HB2 GLU 111 2HB GLU 111 -7.668 12.611 4.903 734 HB3 GLU 111 1HB GLU 111 -7.329 14.247 4.363 735 HG2 GLU 111 2HG GLU 111 -7.487 13.999 7.259 736 HG3 GLU 111 1HG GLU 111 -6.225 13.007 6.540 737 H TYR 112 H TYR 112 -10.131 14.234 3.045 738 HA TYR 112 HA TYR 112 -11.169 16.826 3.063 739 HB2 TYR 112 2HB TYR 112 -8.392 16.911 3.051 740 HB3 TYR 112 1HB TYR 112 -8.820 17.123 1.351 741 HD1 TYR 112 2HD TYR 112 -10.379 18.317 4.528 742 HD2 TYR 112 1HD TYR 112 -8.683 19.340 0.767 743 HE1 TYR 112 2HE TYR 112 -10.904 20.686 4.949 744 HE2 TYR 112 1HE TYR 112 -9.200 21.714 1.177 745 HH TYR 112 HH TYR 112 -9.571 23.183 3.278 746 H VAL 113 H VAL 113 -9.207 14.788 0.885 747 HA VAL 113 HA VAL 113 -9.529 14.170 -1.297 748 HB VAL 113 HB VAL 113 -10.876 12.524 -0.082 749 HG11 VAL 113 1HG1 VAL 113 -13.053 14.561 -0.401 750 HG12 VAL 113 2HG1 VAL 113 -12.480 13.782 1.075 751 HG13 VAL 113 3HG1 VAL 113 -13.397 12.860 -0.114 752 HG21 VAL 113 3HG2 VAL 113 -12.624 12.995 -2.399 753 HG22 VAL 113 1HG2 VAL 113 -11.652 11.580 -1.976 754 HG23 VAL 113 2HG2 VAL 113 -10.897 12.980 -2.749 755 H GLU 114 H GLU 114 -9.642 16.852 -1.262 756 HA GLU 114 HA GLU 114 -11.919 17.493 -3.023 757 HB2 GLU 114 2HB GLU 114 -11.547 18.671 -0.667 758 HB3 GLU 114 1HB GLU 114 -10.450 19.670 -1.613 759 HG2 GLU 114 2HG GLU 114 -12.621 20.709 -1.487 760 HG3 GLU 114 1HG GLU 114 -12.275 20.215 -3.147 Start of MODEL 14 1 H THR 26 H THR 26 -8.945 -17.554 -9.396 2 HA THR 26 HA THR 26 -7.797 -16.703 -6.829 3 HB THR 26 HB THR 26 -6.217 -16.873 -8.704 4 HG1 THR 26 1HG THR 26 -5.295 -14.894 -8.384 5 HG21 THR 26 3HG2 THR 26 -7.039 -14.515 -10.139 6 HG22 THR 26 1HG2 THR 26 -8.245 -15.797 -10.257 7 HG23 THR 26 2HG2 THR 26 -6.579 -16.106 -10.747 8 H SER 27 H SER 27 -8.546 -14.957 -5.794 9 HA SER 27 HA SER 27 -10.712 -13.447 -7.074 10 HB2 SER 27 2HB SER 27 -10.075 -14.203 -4.272 11 HB3 SER 27 1HB SER 27 -10.849 -12.637 -4.515 12 H LYS 28 H LYS 28 -9.852 -11.767 -8.153 13 HA LYS 28 HA LYS 28 -7.604 -10.291 -7.111 14 HB2 LYS 28 2HB LYS 28 -8.643 -10.734 -9.644 15 HB3 LYS 28 1HB LYS 28 -9.020 -9.045 -9.334 16 HG2 LYS 28 2HG LYS 28 -6.963 -8.607 -10.050 17 HG3 LYS 28 1HG LYS 28 -6.407 -9.255 -8.505 18 HD2 LYS 28 2HD LYS 28 -6.761 -10.827 -11.058 19 HD3 LYS 28 1HD LYS 28 -5.223 -10.281 -10.388 20 HE2 LYS 28 2HE LYS 28 -7.133 -12.082 -8.913 21 HE3 LYS 28 1HE LYS 28 -5.818 -12.682 -9.922 22 HZ1 LYS 28 3HZ LYS 28 -5.412 -12.417 -7.424 23 HZ2 LYS 28 1HZ LYS 28 -5.296 -10.759 -7.745 24 HZ3 LYS 28 2HZ LYS 28 -4.226 -11.841 -8.484 25 H GLN 29 H GLN 29 -7.628 -8.382 -6.068 26 HA GLN 29 HA GLN 29 -10.169 -6.927 -5.864 27 HB2 GLN 29 2HB GLN 29 -8.363 -7.557 -3.520 28 HB3 GLN 29 1HB GLN 29 -9.830 -6.581 -3.464 29 HG2 GLN 29 2HG GLN 29 -10.332 -9.184 -4.612 30 HG3 GLN 29 1HG GLN 29 -9.610 -9.309 -3.009 31 HE21 GLN 29 1HE2 GLN 29 -12.360 -8.283 -4.846 32 HE22 GLN 29 2HE2 GLN 29 -13.411 -7.996 -3.506 33 H GLU 30 H GLU 30 -10.017 -4.726 -5.694 34 HA GLU 30 HA GLU 30 -7.323 -3.564 -5.672 35 HB2 GLU 30 2HB GLU 30 -7.738 -2.236 -7.589 36 HB3 GLU 30 1HB GLU 30 -8.232 -3.871 -8.011 37 HG2 GLU 30 2HG GLU 30 -10.543 -2.737 -7.020 38 HG3 GLU 30 1HG GLU 30 -9.784 -1.422 -7.915 39 H LEU 31 H LEU 31 -7.119 -1.680 -4.582 40 HA LEU 31 HA LEU 31 -9.559 -0.606 -3.338 41 HB2 LEU 31 2HB LEU 31 -6.687 -0.365 -2.434 42 HB3 LEU 31 1HB LEU 31 -8.080 0.283 -1.591 43 HG LEU 31 HG LEU 31 -8.216 -2.609 -2.110 44 HD11 LEU 31 1HD1 LEU 31 -6.692 -2.991 -0.086 45 HD12 LEU 31 2HD1 LEU 31 -6.023 -1.403 -0.461 46 HD13 LEU 31 3HD1 LEU 31 -5.933 -2.701 -1.651 47 HD21 LEU 31 3HD2 LEU 31 -8.810 -2.506 0.363 48 HD22 LEU 31 1HD2 LEU 31 -9.899 -1.688 -0.757 49 HD23 LEU 31 2HD2 LEU 31 -8.743 -0.752 0.191 50 H ILE 32 H ILE 32 -9.881 1.640 -3.226 51 HA ILE 32 HA ILE 32 -8.358 3.160 -5.236 52 HB ILE 32 HB ILE 32 -10.746 2.888 -5.758 53 HG12 ILE 32 2HG1 ILE 32 -11.269 5.300 -6.081 54 HG13 ILE 32 1HG1 ILE 32 -9.923 5.706 -5.019 55 HG21 ILE 32 1HG2 ILE 32 -11.285 4.506 -3.275 56 HG22 ILE 32 2HG2 ILE 32 -11.511 2.761 -3.393 57 HG23 ILE 32 3HG2 ILE 32 -12.471 3.845 -4.400 58 HD11 ILE 32 3HD1 ILE 32 -8.337 4.975 -6.564 59 HD12 ILE 32 1HD1 ILE 32 -9.538 5.821 -7.528 60 HD13 ILE 32 2HD1 ILE 32 -9.528 4.060 -7.490 61 H LEU 33 H LEU 33 -7.120 4.773 -4.561 62 HA LEU 33 HA LEU 33 -7.698 5.993 -1.940 63 HB2 LEU 33 2HB LEU 33 -5.139 5.002 -3.107 64 HB3 LEU 33 1HB LEU 33 -5.086 6.431 -2.082 65 HG LEU 33 HG LEU 33 -6.617 4.268 -0.873 66 HD11 LEU 33 1HD1 LEU 33 -5.304 2.578 -1.538 67 HD12 LEU 33 2HD1 LEU 33 -4.169 3.229 -0.355 68 HD13 LEU 33 3HD1 LEU 33 -4.006 3.653 -2.060 69 HD21 LEU 33 3HD2 LEU 33 -5.446 4.897 1.059 70 HD22 LEU 33 1HD2 LEU 33 -5.664 6.397 0.158 71 HD23 LEU 33 2HD2 LEU 33 -4.107 5.570 0.133 72 H VAL 34 H VAL 34 -7.080 8.214 -1.699 73 HA VAL 34 HA VAL 34 -6.392 9.689 -4.108 74 HB VAL 34 HB VAL 34 -8.883 10.418 -2.564 75 HG11 VAL 34 1HG1 VAL 34 -9.266 11.898 -4.532 76 HG12 VAL 34 2HG1 VAL 34 -7.655 11.471 -5.109 77 HG13 VAL 34 3HG1 VAL 34 -7.845 12.327 -3.578 78 HG21 VAL 34 3HG2 VAL 34 -8.578 8.919 -5.158 79 HG22 VAL 34 1HG2 VAL 34 -10.078 9.702 -4.659 80 HG23 VAL 34 2HG2 VAL 34 -9.403 8.391 -3.691 81 H LEU 35 H LEU 35 -4.838 10.992 -3.557 82 HA LEU 35 HA LEU 35 -4.778 12.096 -0.832 83 HB2 LEU 35 2HB LEU 35 -2.887 10.626 -2.187 84 HB3 LEU 35 1HB LEU 35 -2.332 12.280 -2.437 85 HG LEU 35 HG LEU 35 -2.354 12.623 0.021 86 HD11 LEU 35 1HD1 LEU 35 -3.699 10.080 -0.049 87 HD12 LEU 35 2HD1 LEU 35 -3.538 11.231 1.276 88 HD13 LEU 35 3HD1 LEU 35 -2.284 10.021 1.001 89 HD21 LEU 35 3HD2 LEU 35 -0.669 10.495 -1.240 90 HD22 LEU 35 1HD2 LEU 35 -0.449 10.928 0.456 91 HD23 LEU 35 2HD2 LEU 35 -0.238 12.148 -0.801 92 H LYS 36 H LYS 36 -2.902 14.084 -1.228 93 HA LYS 36 HA LYS 36 -3.409 15.795 -3.403 94 HB2 LYS 36 2HB LYS 36 -4.764 17.520 -2.292 95 HB3 LYS 36 1HB LYS 36 -5.641 15.994 -2.431 96 HG2 LYS 36 2HG LYS 36 -6.137 16.406 -0.286 97 HG3 LYS 36 1HG LYS 36 -4.558 15.685 0.007 98 HD2 LYS 36 2HD LYS 36 -3.641 18.068 -0.224 99 HD3 LYS 36 1HD LYS 36 -5.317 18.585 -0.035 100 HE2 LYS 36 2HE LYS 36 -5.361 18.064 2.154 101 HE3 LYS 36 1HE LYS 36 -4.379 16.619 1.940 102 HZ1 LYS 36 3HZ LYS 36 -2.481 17.738 2.322 103 HZ2 LYS 36 1HZ LYS 36 -3.503 18.816 3.147 104 HZ3 LYS 36 2HZ LYS 36 -3.017 19.156 1.564 105 H GLY 37 H GLY 37 -1.783 17.206 -3.512 106 HA2 GLY 37 2HA GLY 37 -0.481 18.956 -2.399 107 HA3 GLY 37 1HA GLY 37 -0.383 17.899 -1.002 108 H GLU 38 H GLU 38 -0.008 16.681 -4.248 109 HA GLU 38 HA GLU 38 2.744 15.937 -3.600 110 HB2 GLU 38 2HB GLU 38 0.768 14.449 -4.665 111 HB3 GLU 38 1HB GLU 38 1.503 15.057 -6.146 112 HG2 GLU 38 2HG GLU 38 3.636 14.128 -5.521 113 HG3 GLU 38 1HG GLU 38 2.992 13.620 -3.960 114 H LEU 39 H LEU 39 3.992 17.711 -3.986 115 HA LEU 39 HA LEU 39 3.922 18.796 -6.724 116 HB2 LEU 39 2HB LEU 39 4.608 20.130 -4.111 117 HB3 LEU 39 1HB LEU 39 5.009 20.832 -5.667 118 HG LEU 39 HG LEU 39 2.188 20.072 -5.361 119 HD11 LEU 39 1HD1 LEU 39 1.805 22.265 -4.085 120 HD12 LEU 39 2HD1 LEU 39 3.487 22.089 -3.571 121 HD13 LEU 39 3HD1 LEU 39 2.300 20.841 -3.172 122 HD21 LEU 39 3HD2 LEU 39 3.009 22.806 -6.049 123 HD22 LEU 39 1HD2 LEU 39 1.867 21.730 -6.848 124 HD23 LEU 39 2HD2 LEU 39 3.595 21.537 -7.124 125 H ASP 40 H ASP 40 6.083 18.184 -3.959 126 HA ASP 40 HA ASP 40 8.184 17.455 -5.874 127 HB2 ASP 40 2HB ASP 40 9.835 18.546 -4.265 128 HB3 ASP 40 1HB ASP 40 8.847 19.643 -5.225 129 H LEU 41 H LEU 41 7.267 17.435 -2.433 130 HA LEU 41 HA LEU 41 8.208 14.661 -2.291 131 HB2 LEU 41 2HB LEU 41 8.919 16.930 -0.467 132 HB3 LEU 41 1HB LEU 41 8.923 15.278 0.118 133 HG LEU 41 HG LEU 41 10.457 14.926 -2.036 134 HD11 LEU 41 1HD1 LEU 41 12.024 16.934 -2.089 135 HD12 LEU 41 2HD1 LEU 41 10.703 17.832 -1.340 136 HD13 LEU 41 3HD1 LEU 41 10.474 17.090 -2.924 137 HD21 LEU 41 3HD2 LEU 41 11.280 15.965 0.664 138 HD22 LEU 41 1HD2 LEU 41 12.421 15.334 -0.525 139 HD23 LEU 41 2HD2 LEU 41 11.166 14.289 0.140 140 H HIS 42 H HIS 42 6.535 13.430 -1.769 141 HA HIS 42 HA HIS 42 5.003 13.766 0.557 142 HB2 HIS 42 2HB HIS 42 4.116 15.439 -1.473 143 HB3 HIS 42 1HB HIS 42 3.028 14.053 -1.571 144 HD1 HIS 42 1HD HIS 42 4.388 16.287 1.207 145 HD2 HIS 42 2HD HIS 42 0.891 14.361 0.044 146 HE1 HIS 42 1HE HIS 42 2.665 16.916 2.929 147 HE2 HIS 42 2HE HIS 42 0.537 15.817 2.153 148 H SER 43 H SER 43 6.049 11.584 0.280 149 HA SER 43 HA SER 43 4.375 9.771 -1.317 150 HB2 SER 43 2HB SER 43 6.182 8.182 -1.224 151 HB3 SER 43 1HB SER 43 6.857 9.740 -1.689 152 HG SER 43 HG SER 43 7.286 9.976 0.660 153 H LYS 44 H LYS 44 3.580 10.916 1.256 154 HA LYS 44 HA LYS 44 3.898 9.103 3.369 155 HB2 LYS 44 2HB LYS 44 3.052 11.378 3.684 156 HB3 LYS 44 1HB LYS 44 1.593 10.974 2.798 157 HG2 LYS 44 2HG LYS 44 0.739 10.622 4.836 158 HG3 LYS 44 1HG LYS 44 1.567 9.067 4.719 159 HD2 LYS 44 2HD LYS 44 3.510 10.856 5.624 160 HD3 LYS 44 1HD LYS 44 2.047 11.285 6.512 161 HE2 LYS 44 2HE LYS 44 3.256 9.630 7.769 162 HE3 LYS 44 1HE LYS 44 1.789 8.901 7.138 163 HZ1 LYS 44 3HZ LYS 44 4.543 8.563 6.098 164 HZ2 LYS 44 1HZ LYS 44 3.166 8.010 5.289 165 HZ3 LYS 44 2HZ LYS 44 3.564 7.379 6.808 166 H ASN 45 H ASN 45 1.542 9.255 0.752 167 HA ASN 45 HA ASN 45 -0.128 7.181 1.738 168 HB2 ASN 45 2HB ASN 45 -0.884 8.879 0.102 169 HB3 ASN 45 1HB ASN 45 0.189 8.173 -1.101 170 HD21 ASN 45 1HD2 ASN 45 -2.806 8.473 -0.808 171 HD22 ASN 45 2HD2 ASN 45 -3.416 6.893 -1.143 172 H MET 46 H MET 46 2.363 7.253 -0.803 173 HA MET 46 HA MET 46 2.252 4.585 -1.558 174 HB2 MET 46 2HB MET 46 3.527 6.302 -2.770 175 HB3 MET 46 1HB MET 46 4.692 6.368 -1.447 176 HG2 MET 46 2HG MET 46 4.763 3.737 -2.004 177 HG3 MET 46 1HG MET 46 4.362 4.380 -3.597 178 HE1 MET 46 3HE MET 46 6.706 3.214 -4.394 179 HE2 MET 46 1HE MET 46 7.866 4.486 -4.785 180 HE3 MET 46 2HE MET 46 6.170 4.681 -5.219 181 H LYS 47 H LYS 47 4.414 6.092 0.830 182 HA LYS 47 HA LYS 47 5.672 3.741 1.662 183 HB2 LYS 47 2HB LYS 47 5.979 6.380 2.225 184 HB3 LYS 47 1HB LYS 47 5.279 5.810 3.729 185 HG2 LYS 47 2HG LYS 47 7.364 5.301 4.309 186 HG3 LYS 47 1HG LYS 47 7.184 3.915 3.232 187 HD2 LYS 47 2HD LYS 47 8.205 6.615 2.336 188 HD3 LYS 47 1HD LYS 47 9.256 5.295 2.862 189 HE2 LYS 47 2HE LYS 47 7.238 4.626 0.807 190 HE3 LYS 47 1HE LYS 47 8.549 5.700 0.302 191 HZ1 LYS 47 3HZ LYS 47 10.068 4.065 0.463 192 HZ2 LYS 47 1HZ LYS 47 8.725 3.051 0.259 193 HZ3 LYS 47 2HZ LYS 47 9.341 3.347 1.809 194 H ASN 48 H ASN 48 2.540 5.008 2.391 195 HA ASN 48 HA ASN 48 2.122 3.619 4.835 196 HB2 ASN 48 2HB ASN 48 0.828 5.641 3.857 197 HB3 ASN 48 1HB ASN 48 -0.092 4.429 2.971 198 HD21 ASN 48 1HD2 ASN 48 -1.163 6.197 4.877 199 HD22 ASN 48 2HD2 ASN 48 -1.751 5.262 6.205 200 H VAL 49 H VAL 49 1.514 2.865 1.445 201 HA VAL 49 HA VAL 49 0.041 0.475 1.984 202 HB VAL 49 HB VAL 49 1.475 1.177 -0.577 203 HG11 VAL 49 1HG1 VAL 49 0.781 -0.912 -1.045 204 HG12 VAL 49 2HG1 VAL 49 -0.788 -0.140 -1.271 205 HG13 VAL 49 3HG1 VAL 49 -0.404 -0.923 0.260 206 HG21 VAL 49 3HG2 VAL 49 -1.413 1.772 -0.038 207 HG22 VAL 49 1HG2 VAL 49 -0.357 2.426 -1.290 208 HG23 VAL 49 2HG2 VAL 49 -0.154 2.931 0.387 209 H ILE 50 H ILE 50 3.379 1.127 0.938 210 HA ILE 50 HA ILE 50 4.240 -1.511 0.720 211 HB ILE 50 HB ILE 50 5.550 0.410 -0.080 212 HG12 ILE 50 2HG1 ILE 50 7.739 -0.453 1.363 213 HG13 ILE 50 1HG1 ILE 50 6.617 -1.801 1.516 214 HG21 ILE 50 1HG2 ILE 50 6.811 1.800 1.412 215 HG22 ILE 50 2HG2 ILE 50 6.252 0.888 2.811 216 HG23 ILE 50 3HG2 ILE 50 5.115 1.864 1.881 217 HD11 ILE 50 3HD1 ILE 50 6.385 -1.743 -0.985 218 HD12 ILE 50 1HD1 ILE 50 7.963 -2.235 -0.369 219 HD13 ILE 50 2HD1 ILE 50 7.732 -0.604 -0.999 220 H ASN 51 H ASN 51 3.948 0.565 3.543 221 HA ASN 51 HA ASN 51 5.342 -1.211 5.302 222 HB2 ASN 51 2HB ASN 51 4.310 1.426 5.432 223 HB3 ASN 51 1HB ASN 51 3.547 0.513 6.730 224 HD21 ASN 51 1HD2 ASN 51 4.860 -0.451 8.320 225 HD22 ASN 51 2HD2 ASN 51 6.463 0.117 8.619 226 H ASN 52 H ASN 52 1.933 -0.535 4.609 227 HA ASN 52 HA ASN 52 0.936 -2.364 6.558 228 HB2 ASN 52 2HB ASN 52 -0.304 -0.908 4.234 229 HB3 ASN 52 1HB ASN 52 -1.220 -2.094 5.158 230 HD21 ASN 52 1HD2 ASN 52 -1.035 -1.747 7.601 231 HD22 ASN 52 2HD2 ASN 52 -1.231 -0.119 8.142 232 H ALA 53 H ALA 53 1.119 -2.499 3.002 233 HA ALA 53 HA ALA 53 0.140 -5.080 2.670 234 HB1 ALA 53 1HB ALA 53 2.141 -3.547 1.015 235 HB2 ALA 53 2HB ALA 53 0.395 -3.630 0.780 236 HB3 ALA 53 3HB ALA 53 1.390 -5.061 0.512 237 H LYS 54 H LYS 54 3.282 -3.979 3.702 238 HA LYS 54 HA LYS 54 4.586 -6.512 3.303 239 HB2 LYS 54 2HB LYS 54 5.342 -3.889 4.509 240 HB3 LYS 54 1HB LYS 54 6.288 -5.308 4.934 241 HG2 LYS 54 2HG LYS 54 6.658 -5.718 2.513 242 HG3 LYS 54 1HG LYS 54 5.843 -4.190 2.176 243 HD2 LYS 54 2HD LYS 54 7.901 -3.302 2.306 244 HD3 LYS 54 1HD LYS 54 7.675 -3.440 4.051 245 HE2 LYS 54 2HE LYS 54 9.830 -4.369 3.309 246 HE3 LYS 54 1HE LYS 54 8.797 -5.584 4.061 247 HZ1 LYS 54 3HZ LYS 54 8.601 -5.302 1.166 248 HZ2 LYS 54 1HZ LYS 54 8.540 -6.695 2.126 249 HZ3 LYS 54 2HZ LYS 54 10.031 -5.982 1.764 250 H LYS 55 H LYS 55 3.384 -4.701 6.118 251 HA LYS 55 HA LYS 55 4.110 -6.510 8.104 252 HB2 LYS 55 2HB LYS 55 3.017 -4.138 8.248 253 HB3 LYS 55 1HB LYS 55 1.504 -5.032 8.255 254 HG2 LYS 55 2HG LYS 55 1.723 -5.467 10.412 255 HG3 LYS 55 1HG LYS 55 3.298 -6.213 10.139 256 HD2 LYS 55 2HD LYS 55 4.015 -4.527 11.463 257 HD3 LYS 55 1HD LYS 55 3.974 -3.614 9.953 258 HE2 LYS 55 2HE LYS 55 1.475 -3.761 11.548 259 HE3 LYS 55 1HE LYS 55 2.783 -2.755 12.168 260 HZ1 LYS 55 3HZ LYS 55 1.105 -1.651 10.655 261 HZ2 LYS 55 1HZ LYS 55 1.812 -2.516 9.384 262 HZ3 LYS 55 2HZ LYS 55 2.734 -1.409 10.271 263 H ASN 56 H ASN 56 1.210 -6.412 6.080 264 HA ASN 56 HA ASN 56 -0.126 -8.566 7.327 265 HB2 ASN 56 2HB ASN 56 -0.367 -7.699 4.437 266 HB3 ASN 56 1HB ASN 56 -1.563 -8.592 5.381 267 HD21 ASN 56 1HD2 ASN 56 -1.964 -6.135 3.995 268 HD22 ASN 56 2HD2 ASN 56 -2.394 -4.945 5.171 269 H LEU 57 H LEU 57 1.542 -8.501 4.174 270 HA LEU 57 HA LEU 57 1.576 -11.147 3.540 271 HB2 LEU 57 2HB LEU 57 3.608 -8.981 3.137 272 HB3 LEU 57 1HB LEU 57 3.936 -10.618 2.582 273 HG LEU 57 HG LEU 57 1.355 -9.426 1.739 274 HD11 LEU 57 1HD1 LEU 57 3.569 -8.689 -0.020 275 HD12 LEU 57 2HD1 LEU 57 3.558 -7.827 1.519 276 HD13 LEU 57 3HD1 LEU 57 2.146 -7.767 0.463 277 HD21 LEU 57 3HD2 LEU 57 3.436 -11.261 0.615 278 HD22 LEU 57 1HD2 LEU 57 2.231 -10.512 -0.432 279 HD23 LEU 57 2HD2 LEU 57 1.720 -11.557 0.893 280 H GLU 58 H GLU 58 4.115 -9.495 5.396 281 HA GLU 58 HA GLU 58 5.656 -11.718 6.006 282 HB2 GLU 58 2HB GLU 58 5.220 -9.204 7.622 283 HB3 GLU 58 1HB GLU 58 6.489 -10.378 7.940 284 HG2 GLU 58 2HG GLU 58 6.747 -9.754 5.240 285 HG3 GLU 58 1HG GLU 58 6.413 -8.218 6.039 286 H LYS 59 H LYS 59 2.820 -10.436 7.659 287 HA LYS 59 HA LYS 59 2.941 -12.007 9.963 288 HB2 LYS 59 2HB LYS 59 1.235 -10.102 9.005 289 HB3 LYS 59 1HB LYS 59 0.240 -11.546 8.885 290 HG2 LYS 59 2HG LYS 59 -0.044 -11.677 11.095 291 HG3 LYS 59 1HG LYS 59 1.648 -11.308 11.431 292 HD2 LYS 59 2HD LYS 59 0.672 -9.434 12.299 293 HD3 LYS 59 1HD LYS 59 0.908 -8.897 10.635 294 HE2 LYS 59 2HE LYS 59 -1.626 -10.027 11.817 295 HE3 LYS 59 1HE LYS 59 -1.331 -8.344 11.385 296 HZ1 LYS 59 3HZ LYS 59 -0.821 -9.478 9.066 297 HZ2 LYS 59 1HZ LYS 59 -2.386 -9.017 9.517 298 HZ3 LYS 59 2HZ LYS 59 -1.903 -10.631 9.668 299 H TYR 60 H TYR 60 2.104 -12.844 6.707 300 HA TYR 60 HA TYR 60 0.716 -15.266 7.431 301 HB2 TYR 60 2HB TYR 60 1.674 -14.238 4.756 302 HB3 TYR 60 1HB TYR 60 0.715 -15.703 4.980 303 HD1 TYR 60 1HD TYR 60 -1.634 -15.546 5.702 304 HD2 TYR 60 2HD TYR 60 0.682 -12.072 4.909 305 HE1 TYR 60 1HE TYR 60 -3.695 -14.208 5.592 306 HE2 TYR 60 2HE TYR 60 -1.372 -10.719 4.797 307 HH TYR 60 HH TYR 60 -4.057 -11.348 6.008 308 H PHE 61 H PHE 61 3.801 -14.592 5.731 309 HA PHE 61 HA PHE 61 4.544 -17.381 6.010 310 HB2 PHE 61 2HB PHE 61 6.515 -16.846 4.710 311 HB3 PHE 61 1HB PHE 61 5.090 -16.156 3.936 312 HD1 PHE 61 2HD PHE 61 7.844 -15.247 6.276 313 HD2 PHE 61 1HD PHE 61 5.131 -13.953 3.263 314 HE1 PHE 61 2HE PHE 61 8.955 -13.052 6.225 315 HE2 PHE 61 1HE PHE 61 6.239 -11.757 3.204 316 HZ PHE 61 HZ PHE 61 8.153 -11.304 4.686 317 H LYS 62 H LYS 62 5.254 -14.376 7.595 318 HA LYS 62 HA LYS 62 7.518 -15.502 9.019 319 HB2 LYS 62 2HB LYS 62 6.956 -12.964 8.257 320 HB3 LYS 62 1HB LYS 62 6.399 -12.925 9.924 321 HG2 LYS 62 2HG LYS 62 8.718 -14.003 10.429 322 HG3 LYS 62 1HG LYS 62 9.151 -13.329 8.857 323 HD2 LYS 62 2HD LYS 62 7.736 -11.514 10.706 324 HD3 LYS 62 1HD LYS 62 9.374 -11.975 11.173 325 HE2 LYS 62 2HE LYS 62 8.495 -10.651 8.615 326 HE3 LYS 62 1HE LYS 62 9.508 -9.965 9.884 327 HZ1 LYS 62 3HZ LYS 62 10.189 -11.952 7.833 328 HZ2 LYS 62 1HZ LYS 62 11.011 -11.993 9.312 329 HZ3 LYS 62 2HZ LYS 62 11.065 -10.601 8.353 330 H GLU 63 H GLU 63 4.155 -14.629 9.678 331 HA GLU 63 HA GLU 63 4.473 -15.524 12.446 332 HB2 GLU 63 2HB GLU 63 3.031 -13.445 11.334 333 HB3 GLU 63 1HB GLU 63 1.795 -14.662 11.658 334 HG2 GLU 63 2HG GLU 63 2.814 -14.800 13.998 335 HG3 GLU 63 1HG GLU 63 3.634 -13.295 13.588 336 H HIS 64 H HIS 64 2.316 -16.134 9.666 337 HA HIS 64 HA HIS 64 1.352 -18.553 10.952 338 HB2 HIS 64 2HB HIS 64 0.587 -17.387 8.272 339 HB3 HIS 64 1HB HIS 64 -0.242 -18.690 9.115 340 HD1 HIS 64 1HD HIS 64 -2.160 -16.667 8.583 341 HD2 HIS 64 2HD HIS 64 0.469 -16.192 11.766 342 HE1 HIS 64 1HE HIS 64 -3.241 -14.980 10.104 343 HE2 HIS 64 2HE HIS 64 -1.591 -14.644 11.977 344 H PHE 65 H PHE 65 4.088 -17.993 9.513 345 HA PHE 65 HA PHE 65 5.559 -19.106 8.152 346 HB2 PHE 65 2HB PHE 65 4.996 -20.574 10.301 347 HB3 PHE 65 1HB PHE 65 4.412 -21.695 9.067 348 HD1 PHE 65 1HD PHE 65 7.367 -19.438 9.445 349 HD2 PHE 65 2HD PHE 65 5.915 -23.339 8.562 350 HE1 PHE 65 1HE PHE 65 9.674 -20.206 9.064 351 HE2 PHE 65 2HE PHE 65 8.219 -24.114 8.180 352 HZ PHE 65 HZ PHE 65 10.101 -22.547 8.431 353 H LYS 66 H LYS 66 3.081 -18.470 6.826 354 HA LYS 66 HA LYS 66 3.129 -20.582 4.786 355 HB2 LYS 66 2HB LYS 66 0.684 -20.297 4.467 356 HB3 LYS 66 1HB LYS 66 1.101 -20.959 6.042 357 HG2 LYS 66 2HG LYS 66 0.272 -19.195 7.149 358 HG3 LYS 66 1HG LYS 66 0.875 -18.035 5.963 359 HD2 LYS 66 2HD LYS 66 -1.288 -17.801 5.406 360 HD3 LYS 66 1HD LYS 66 -1.059 -19.320 4.537 361 HE2 LYS 66 2HE LYS 66 -1.943 -19.167 7.412 362 HE3 LYS 66 1HE LYS 66 -3.066 -19.225 6.055 363 HZ1 LYS 66 3HZ LYS 66 -2.759 -21.422 6.899 364 HZ2 LYS 66 1HZ LYS 66 -1.075 -21.295 6.803 365 HZ3 LYS 66 2HZ LYS 66 -2.003 -21.338 5.389 366 H GLU 67 H GLU 67 2.518 -19.875 2.655 367 HA GLU 67 HA GLU 67 3.020 -17.001 2.259 368 HB2 GLU 67 2HB GLU 67 3.466 -19.326 0.379 369 HB3 GLU 67 1HB GLU 67 3.750 -17.639 -0.025 370 HG2 GLU 67 2HG GLU 67 5.644 -17.510 1.226 371 HG3 GLU 67 1HG GLU 67 5.104 -18.734 2.374 372 H PHE 68 H PHE 68 0.911 -16.260 2.417 373 HA PHE 68 HA PHE 68 -0.717 -16.724 0.059 374 HB2 PHE 68 2HB PHE 68 -1.526 -17.535 2.823 375 HB3 PHE 68 1HB PHE 68 -2.753 -16.911 1.726 376 HD1 PHE 68 1HD PHE 68 -3.382 -18.141 -0.270 377 HD2 PHE 68 2HD PHE 68 -0.480 -19.667 2.442 378 HE1 PHE 68 1HE PHE 68 -3.595 -20.364 -1.300 379 HE2 PHE 68 2HE PHE 68 -0.687 -21.894 1.415 380 HZ PHE 68 HZ PHE 68 -2.245 -22.244 -0.459 381 H ASP 69 H ASP 69 -2.559 -15.196 -0.059 382 HA ASP 69 HA ASP 69 -3.408 -13.088 -0.018 383 HB2 ASP 69 2HB ASP 69 -2.634 -13.631 2.752 384 HB3 ASP 69 1HB ASP 69 -2.660 -11.913 2.365 385 H LYS 70 H LYS 70 -2.153 -12.225 -1.645 386 HA LYS 70 HA LYS 70 0.286 -10.797 -0.821 387 HB2 LYS 70 2HB LYS 70 -0.577 -12.062 -3.386 388 HB3 LYS 70 1HB LYS 70 0.510 -10.682 -3.454 389 HG2 LYS 70 2HG LYS 70 2.261 -11.900 -2.821 390 HG3 LYS 70 1HG LYS 70 1.360 -12.666 -1.511 391 HD2 LYS 70 2HD LYS 70 0.499 -14.333 -2.951 392 HD3 LYS 70 1HD LYS 70 1.008 -13.455 -4.394 393 HE2 LYS 70 2HE LYS 70 3.379 -13.759 -3.134 394 HE3 LYS 70 1HE LYS 70 2.544 -15.217 -2.601 395 HZ1 LYS 70 3HZ LYS 70 2.338 -15.985 -4.762 396 HZ2 LYS 70 1HZ LYS 70 3.886 -15.299 -4.763 397 HZ3 LYS 70 2HZ LYS 70 2.589 -14.461 -5.453 398 H ILE 71 H ILE 71 0.644 -8.651 -1.714 399 HA ILE 71 HA ILE 71 -1.815 -7.299 -2.579 400 HB ILE 71 HB ILE 71 0.060 -6.110 -0.543 401 HG12 ILE 71 2HG1 ILE 71 -2.411 -6.539 0.660 402 HG13 ILE 71 1HG1 ILE 71 -2.112 -8.021 -0.241 403 HG21 ILE 71 1HG2 ILE 71 -2.705 -5.274 -1.408 404 HG22 ILE 71 2HG2 ILE 71 -1.206 -4.541 -1.980 405 HG23 ILE 71 3HG2 ILE 71 -1.648 -4.428 -0.277 406 HD11 ILE 71 3HD1 ILE 71 -1.021 -7.185 2.247 407 HD12 ILE 71 1HD1 ILE 71 0.289 -7.358 1.077 408 HD13 ILE 71 2HD1 ILE 71 -0.798 -8.712 1.392 409 H SER 72 H SER 72 -1.584 -5.541 -3.883 410 HA SER 72 HA SER 72 1.115 -4.780 -4.727 411 HB2 SER 72 2HB SER 72 -0.261 -6.557 -6.210 412 HB3 SER 72 1HB SER 72 -0.903 -5.059 -6.884 413 HG SER 72 HG SER 72 1.405 -6.207 -7.428 414 H TYR 73 H TYR 73 1.334 -2.628 -5.049 415 HA TYR 73 HA TYR 73 -1.106 -1.019 -5.354 416 HB2 TYR 73 2HB TYR 73 -0.389 0.565 -3.707 417 HB3 TYR 73 1HB TYR 73 -0.310 -1.030 -2.971 418 HD1 TYR 73 1HD TYR 73 1.983 -2.181 -2.889 419 HD2 TYR 73 2HD TYR 73 1.484 1.962 -3.715 420 HE1 TYR 73 1HE TYR 73 4.332 -1.782 -2.280 421 HE2 TYR 73 2HE TYR 73 3.831 2.372 -3.110 422 HH TYR 73 HH TYR 73 5.917 1.196 -2.916 423 H ASP 74 H ASP 74 -0.736 1.133 -6.218 424 HA ASP 74 HA ASP 74 1.825 1.727 -7.407 425 HB2 ASP 74 2HB ASP 74 0.657 0.095 -8.982 426 HB3 ASP 74 1HB ASP 74 -0.517 1.375 -9.277 427 H ILE 75 H ILE 75 1.927 3.859 -8.303 428 HA ILE 75 HA ILE 75 -0.167 5.613 -7.226 429 HB ILE 75 HB ILE 75 2.603 6.381 -8.125 430 HG12 ILE 75 2HG1 ILE 75 1.954 6.416 -5.250 431 HG13 ILE 75 1HG1 ILE 75 2.060 4.811 -5.963 432 HG21 ILE 75 1HG2 ILE 75 0.341 7.834 -6.823 433 HG22 ILE 75 2HG2 ILE 75 1.369 8.334 -8.170 434 HG23 ILE 75 3HG2 ILE 75 2.008 8.344 -6.525 435 HD11 ILE 75 3HD1 ILE 75 4.155 6.422 -5.065 436 HD12 ILE 75 1HD1 ILE 75 4.273 6.420 -6.824 437 HD13 ILE 75 2HD1 ILE 75 4.268 4.894 -5.940 438 H SER 76 H SER 76 -1.188 7.139 -8.471 439 HA SER 76 HA SER 76 -0.812 6.867 -11.378 440 HB2 SER 76 2HB SER 76 -3.085 6.376 -10.080 441 HB3 SER 76 1HB SER 76 -3.268 8.118 -10.245 442 HG SER 76 HG SER 76 -2.620 6.446 -12.433 443 H THR 77 H THR 77 0.319 8.471 -12.220 444 HA THR 77 HA THR 77 0.760 10.958 -10.953 445 HB THR 77 HB THR 77 1.365 11.398 -13.605 446 HG1 THR 77 1HG THR 77 1.994 9.535 -14.501 447 HG21 THR 77 3HG2 THR 77 3.499 11.432 -12.922 448 HG22 THR 77 1HG2 THR 77 3.385 9.846 -12.160 449 HG23 THR 77 2HG2 THR 77 2.775 11.269 -11.321 450 HA PRO 78 HA PRO 78 -2.137 12.833 -14.469 451 HB2 PRO 78 2HB PRO 78 -4.020 10.903 -15.245 452 HB3 PRO 78 1HB PRO 78 -2.667 11.501 -16.219 453 HG2 PRO 78 2HG PRO 78 -2.876 9.024 -14.566 454 HG3 PRO 78 1HG PRO 78 -2.042 9.280 -16.108 455 HD2 PRO 78 2HD PRO 78 -0.694 9.113 -13.814 456 HD3 PRO 78 1HD PRO 78 -0.198 10.249 -15.088 457 H ILE 79 H ILE 79 -3.298 14.058 -13.164 458 HA ILE 79 HA ILE 79 -5.103 14.747 -11.820 459 HB ILE 79 HB ILE 79 -6.146 11.929 -11.924 460 HG12 ILE 79 2HG1 ILE 79 -5.750 12.624 -14.220 461 HG13 ILE 79 1HG1 ILE 79 -7.477 12.661 -13.890 462 HG21 ILE 79 1HG2 ILE 79 -7.532 12.949 -10.462 463 HG22 ILE 79 2HG2 ILE 79 -8.294 13.538 -11.936 464 HG23 ILE 79 3HG2 ILE 79 -7.163 14.559 -11.062 465 HD11 ILE 79 3HD1 ILE 79 -7.256 15.120 -13.487 466 HD12 ILE 79 1HD1 ILE 79 -6.955 14.596 -15.142 467 HD13 ILE 79 2HD1 ILE 79 -5.605 14.988 -14.083 468 H ASN 80 H ASN 80 -2.658 12.880 -10.937 469 HA ASN 80 HA ASN 80 -1.827 12.035 -8.989 470 HB2 ASN 80 2HB ASN 80 -2.512 14.603 -8.578 471 HB3 ASN 80 1HB ASN 80 -3.541 13.837 -7.366 472 HD21 ASN 80 1HD2 ASN 80 -2.135 11.881 -6.331 473 HD22 ASN 80 2HD2 ASN 80 -0.652 12.437 -5.641 474 H PHE 81 H PHE 81 -3.376 10.161 -9.668 475 HA PHE 81 HA PHE 81 -5.341 9.698 -7.536 476 HB2 PHE 81 2HB PHE 81 -5.172 8.895 -10.379 477 HB3 PHE 81 1HB PHE 81 -5.814 7.686 -9.276 478 HD1 PHE 81 1HD PHE 81 -7.501 8.891 -7.459 479 HD2 PHE 81 2HD PHE 81 -6.775 10.087 -11.475 480 HE1 PHE 81 1HE PHE 81 -9.701 9.994 -7.524 481 HE2 PHE 81 2HE PHE 81 -8.974 11.193 -11.551 482 HZ PHE 81 HZ PHE 81 -10.440 11.148 -9.573 483 H LEU 82 H LEU 82 -5.501 7.446 -6.736 484 HA LEU 82 HA LEU 82 -2.866 6.127 -6.688 485 HB2 LEU 82 2HB LEU 82 -4.828 6.538 -4.437 486 HB3 LEU 82 1HB LEU 82 -3.497 5.401 -4.350 487 HG LEU 82 HG LEU 82 -2.940 7.479 -3.210 488 HD11 LEU 82 1HD1 LEU 82 -1.243 7.719 -5.602 489 HD12 LEU 82 2HD1 LEU 82 -1.340 6.116 -4.885 490 HD13 LEU 82 3HD1 LEU 82 -0.801 7.480 -3.912 491 HD21 LEU 82 3HD2 LEU 82 -3.213 9.551 -4.062 492 HD22 LEU 82 1HD2 LEU 82 -4.415 8.744 -5.069 493 HD23 LEU 82 2HD2 LEU 82 -2.797 9.049 -5.701 494 H CYS 83 H CYS 83 -3.054 4.323 -7.841 495 HA CYS 83 HA CYS 83 -5.553 2.796 -7.721 496 HB2 CYS 83 2HB CYS 83 -4.094 3.517 -9.884 497 HB3 CYS 83 1HB CYS 83 -3.400 1.933 -9.558 498 HG CYS 83 HG CYS 83 -6.416 2.364 -10.197 499 H ILE 84 H ILE 84 -5.649 1.171 -6.333 500 HA ILE 84 HA ILE 84 -3.165 -0.275 -5.684 501 HB ILE 84 HB ILE 84 -5.581 0.266 -3.958 502 HG12 ILE 84 2HG1 ILE 84 -3.083 1.577 -4.329 503 HG13 ILE 84 1HG1 ILE 84 -4.359 1.969 -3.188 504 HG21 ILE 84 1HG2 ILE 84 -3.268 -1.599 -3.442 505 HG22 ILE 84 2HG2 ILE 84 -4.974 -2.025 -3.577 506 HG23 ILE 84 3HG2 ILE 84 -4.411 -1.061 -2.211 507 HD11 ILE 84 3HD1 ILE 84 -2.220 -0.062 -2.628 508 HD12 ILE 84 1HD1 ILE 84 -3.356 0.660 -1.488 509 HD13 ILE 84 2HD1 ILE 84 -2.081 1.645 -2.206 510 H PHE 85 H PHE 85 -3.086 -2.396 -6.060 511 HA PHE 85 HA PHE 85 -5.599 -3.822 -6.620 512 HB2 PHE 85 2HB PHE 85 -3.203 -3.503 -8.327 513 HB3 PHE 85 1HB PHE 85 -3.868 -5.131 -8.241 514 HD1 PHE 85 1HD PHE 85 -6.293 -5.475 -8.831 515 HD2 PHE 85 2HD PHE 85 -4.208 -1.857 -9.648 516 HE1 PHE 85 1HE PHE 85 -8.008 -4.867 -10.489 517 HE2 PHE 85 2HE PHE 85 -5.919 -1.241 -11.306 518 HZ PHE 85 HZ PHE 85 -7.822 -2.746 -11.728 519 H ILE 86 H ILE 86 -5.602 -4.788 -4.595 520 HA ILE 86 HA ILE 86 -3.297 -6.317 -3.718 521 HB ILE 86 HB ILE 86 -4.597 -5.054 -2.074 522 HG12 ILE 86 2HG1 ILE 86 -3.385 -7.221 -1.518 523 HG13 ILE 86 1HG1 ILE 86 -4.600 -6.688 -0.367 524 HG21 ILE 86 1HG2 ILE 86 -6.858 -6.993 -2.378 525 HG22 ILE 86 2HG2 ILE 86 -6.796 -5.502 -3.316 526 HG23 ILE 86 3HG2 ILE 86 -6.828 -5.434 -1.555 527 HD11 ILE 86 3HD1 ILE 86 -6.148 -8.297 -1.748 528 HD12 ILE 86 1HD1 ILE 86 -5.070 -8.914 -0.497 529 HD13 ILE 86 2HD1 ILE 86 -4.609 -9.029 -2.195 530 HA PRO 87 HA PRO 87 -5.160 -9.860 -5.844 531 HB2 PRO 87 2HB PRO 87 -2.587 -11.146 -5.714 532 HB3 PRO 87 1HB PRO 87 -3.407 -10.474 -7.127 533 HG2 PRO 87 2HG PRO 87 -1.109 -9.435 -6.035 534 HG3 PRO 87 1HG PRO 87 -2.265 -8.502 -7.000 535 HD2 PRO 87 2HD PRO 87 -1.945 -8.635 -4.027 536 HD3 PRO 87 1HD PRO 87 -2.293 -7.236 -5.061 537 H THR 88 H THR 88 -6.390 -11.010 -4.479 538 HA THR 88 HA THR 88 -5.016 -12.610 -2.424 539 HB THR 88 HB THR 88 -6.269 -10.744 -1.397 540 HG1 THR 88 1HG THR 88 -6.420 -12.218 0.080 541 HG21 THR 88 3HG2 THR 88 -8.105 -10.863 -3.245 542 HG22 THR 88 1HG2 THR 88 -8.516 -10.381 -1.600 543 HG23 THR 88 2HG2 THR 88 -8.846 -12.026 -2.145 544 H LEU 89 H LEU 89 -6.852 -14.281 -1.566 545 HA LEU 89 HA LEU 89 -7.771 -15.667 -3.996 546 HB2 LEU 89 2HB LEU 89 -6.593 -16.621 -1.434 547 HB3 LEU 89 1HB LEU 89 -7.762 -17.654 -2.235 548 HG LEU 89 HG LEU 89 -6.331 -17.532 -4.300 549 HD11 LEU 89 1HD1 LEU 89 -4.565 -16.047 -2.388 550 HD12 LEU 89 2HD1 LEU 89 -5.025 -15.621 -4.036 551 HD13 LEU 89 3HD1 LEU 89 -3.896 -16.945 -3.751 552 HD21 LEU 89 3HD2 LEU 89 -5.630 -18.855 -1.752 553 HD22 LEU 89 1HD2 LEU 89 -4.406 -18.883 -3.022 554 HD23 LEU 89 2HD2 LEU 89 -6.010 -19.550 -3.327 555 H PHE 90 H PHE 90 -8.868 -14.017 -1.280 556 HA PHE 90 HA PHE 90 -10.920 -13.686 -0.384 557 HB2 PHE 90 2HB PHE 90 -11.713 -13.500 -2.669 558 HB3 PHE 90 1HB PHE 90 -11.831 -15.250 -2.808 559 HD1 PHE 90 1HD PHE 90 -13.601 -16.468 -1.634 560 HD2 PHE 90 2HD PHE 90 -13.386 -12.219 -1.547 561 HE1 PHE 90 1HE PHE 90 -15.927 -16.371 -0.838 562 HE2 PHE 90 2HE PHE 90 -15.711 -12.114 -0.751 563 HZ PHE 90 HZ PHE 90 -16.985 -14.192 -0.394 564 H ASP 91 H ASP 91 -12.027 -14.596 1.227 565 HA ASP 91 HA ASP 91 -12.826 -16.157 2.688 566 HB2 ASP 91 2HB ASP 91 -13.652 -17.208 0.460 567 HB3 ASP 91 1HB ASP 91 -12.322 -18.343 0.689 568 H MET 92 H MET 92 -9.945 -15.519 2.289 569 HA MET 92 HA MET 92 -8.905 -17.645 3.983 570 HB2 MET 92 2HB MET 92 -8.267 -17.490 1.227 571 HB3 MET 92 1HB MET 92 -6.840 -16.948 2.110 572 HG2 MET 92 2HG MET 92 -6.310 -19.071 2.406 573 HG3 MET 92 1HG MET 92 -7.705 -19.213 3.475 574 HE1 MET 92 3HE MET 92 -10.477 -20.295 1.764 575 HE2 MET 92 1HE MET 92 -9.533 -20.222 3.253 576 HE3 MET 92 2HE MET 92 -9.603 -21.721 2.326 577 H ASN 93 H ASN 93 -9.099 -15.945 5.551 578 HA ASN 93 HA ASN 93 -8.292 -14.274 6.865 579 HB2 ASN 93 2HB ASN 93 -6.004 -15.564 5.685 580 HB3 ASN 93 1HB ASN 93 -5.672 -13.848 5.906 581 HD21 ASN 93 1HD2 ASN 93 -5.070 -16.604 7.290 582 HD22 ASN 93 2HD2 ASN 93 -5.183 -16.195 8.964 583 H ASN 94 H ASN 94 -9.450 -13.685 4.161 584 HA ASN 94 HA ASN 94 -8.118 -11.458 3.043 585 HB2 ASN 94 2HB ASN 94 -10.287 -11.010 1.917 586 HB3 ASN 94 1HB ASN 94 -9.770 -12.686 1.759 587 HD21 ASN 94 1HD2 ASN 94 -12.338 -12.132 1.283 588 HD22 ASN 94 2HD2 ASN 94 -13.345 -12.707 2.563 589 H MET 95 H MET 95 -10.385 -11.812 5.674 590 HA MET 95 HA MET 95 -11.080 -9.061 5.890 591 HB2 MET 95 2HB MET 95 -11.334 -11.441 7.702 592 HB3 MET 95 1HB MET 95 -11.720 -9.829 8.288 593 HG2 MET 95 2HG MET 95 -12.963 -10.511 5.729 594 HG3 MET 95 1HG MET 95 -13.470 -11.520 7.082 595 HE1 MET 95 3HE MET 95 -14.353 -10.680 9.260 596 HE2 MET 95 1HE MET 95 -15.783 -10.763 8.232 597 HE3 MET 95 2HE MET 95 -15.540 -9.376 9.296 598 H ASP 96 H ASP 96 -8.454 -11.017 7.084 599 HA ASP 96 HA ASP 96 -7.543 -8.921 8.889 600 HB2 ASP 96 2HB ASP 96 -6.531 -11.701 8.285 601 HB3 ASP 96 1HB ASP 96 -5.670 -10.581 9.337 602 H LEU 97 H LEU 97 -7.558 -7.869 6.444 603 HA LEU 97 HA LEU 97 -4.841 -7.168 6.013 604 HB2 LEU 97 2HB LEU 97 -4.915 -9.369 4.861 605 HB3 LEU 97 1HB LEU 97 -6.168 -8.744 3.806 606 HG LEU 97 HG LEU 97 -3.673 -7.164 3.895 607 HD11 LEU 97 1HD1 LEU 97 -3.504 -9.485 2.101 608 HD12 LEU 97 2HD1 LEU 97 -3.281 -9.837 3.814 609 HD13 LEU 97 3HD1 LEU 97 -2.242 -8.657 3.014 610 HD21 LEU 97 3HD2 LEU 97 -5.897 -7.128 2.371 611 HD22 LEU 97 1HD2 LEU 97 -4.849 -8.141 1.378 612 HD23 LEU 97 2HD2 LEU 97 -4.329 -6.520 1.837 613 H LEU 98 H LEU 98 -7.812 -7.423 4.050 614 HA LEU 98 HA LEU 98 -7.536 -4.929 2.799 615 HB2 LEU 98 2HB LEU 98 -9.217 -7.044 2.522 616 HB3 LEU 98 1HB LEU 98 -10.288 -5.877 3.272 617 HG LEU 98 HG LEU 98 -9.688 -4.261 1.452 618 HD11 LEU 98 1HD1 LEU 98 -8.589 -6.617 -0.035 619 HD12 LEU 98 2HD1 LEU 98 -7.541 -5.567 0.918 620 HD13 LEU 98 3HD1 LEU 98 -8.470 -4.901 -0.425 621 HD21 LEU 98 3HD2 LEU 98 -11.732 -5.121 0.991 622 HD22 LEU 98 1HD2 LEU 98 -11.178 -6.792 1.105 623 HD23 LEU 98 2HD2 LEU 98 -10.855 -5.852 -0.352 624 H LYS 99 H LYS 99 -8.851 -5.832 5.898 625 HA LYS 99 HA LYS 99 -10.404 -3.578 6.454 626 HB2 LYS 99 2HB LYS 99 -10.079 -5.801 7.778 627 HB3 LYS 99 1HB LYS 99 -8.782 -4.930 8.583 628 HG2 LYS 99 2HG LYS 99 -10.354 -4.250 10.006 629 HG3 LYS 99 1HG LYS 99 -10.855 -3.148 8.722 630 HD2 LYS 99 2HD LYS 99 -12.858 -4.141 8.946 631 HD3 LYS 99 1HD LYS 99 -12.133 -5.442 8.000 632 HE2 LYS 99 2HE LYS 99 -11.787 -6.778 9.856 633 HE3 LYS 99 1HE LYS 99 -11.814 -5.411 10.970 634 HZ1 LYS 99 3HZ LYS 99 -14.013 -6.980 9.907 635 HZ2 LYS 99 1HZ LYS 99 -14.290 -5.313 9.998 636 HZ3 LYS 99 2HZ LYS 99 -13.871 -6.178 11.389 637 H GLN 100 H GLN 100 -6.942 -4.082 6.610 638 HA GLN 100 HA GLN 100 -6.419 -1.627 8.016 639 HB2 GLN 100 2HB GLN 100 -4.992 -3.897 7.706 640 HB3 GLN 100 1HB GLN 100 -4.254 -2.909 6.452 641 HG2 GLN 100 2HG GLN 100 -2.953 -2.064 8.030 642 HG3 GLN 100 1HG GLN 100 -4.378 -1.228 8.647 643 HE21 GLN 100 1HE2 GLN 100 -5.753 -2.577 10.139 644 HE22 GLN 100 2HE2 GLN 100 -4.919 -3.547 11.299 645 H ALA 101 H ALA 101 -5.969 -2.783 4.688 646 HA ALA 101 HA ALA 101 -4.946 -0.420 3.602 647 HB1 ALA 101 1HB ALA 101 -6.016 -2.932 2.612 648 HB2 ALA 101 2HB ALA 101 -4.709 -1.930 1.978 649 HB3 ALA 101 3HB ALA 101 -6.382 -1.576 1.545 650 H LEU 102 H LEU 102 -8.286 -1.557 3.925 651 HA LEU 102 HA LEU 102 -9.484 0.624 2.578 652 HB2 LEU 102 2HB LEU 102 -10.406 -1.597 4.309 653 HB3 LEU 102 1HB LEU 102 -11.467 -0.207 4.190 654 HG LEU 102 HG LEU 102 -10.424 -1.484 1.692 655 HD11 LEU 102 1HD1 LEU 102 -11.847 -3.246 1.740 656 HD12 LEU 102 2HD1 LEU 102 -13.026 -2.411 2.751 657 HD13 LEU 102 3HD1 LEU 102 -11.572 -3.097 3.475 658 HD21 LEU 102 3HD2 LEU 102 -13.189 -0.494 1.992 659 HD22 LEU 102 1HD2 LEU 102 -12.054 -0.310 0.656 660 HD23 LEU 102 2HD2 LEU 102 -11.910 0.717 2.082 661 H LEU 103 H LEU 103 -8.420 0.126 5.862 662 HA LEU 103 HA LEU 103 -9.861 2.288 7.021 663 HB2 LEU 103 2HB LEU 103 -8.038 0.266 7.888 664 HB3 LEU 103 1HB LEU 103 -7.470 1.815 8.479 665 HG LEU 103 HG LEU 103 -10.345 1.161 8.870 666 HD11 LEU 103 1HD1 LEU 103 -10.075 -0.432 10.441 667 HD12 LEU 103 2HD1 LEU 103 -8.526 0.212 10.984 668 HD13 LEU 103 3HD1 LEU 103 -8.607 -0.781 9.528 669 HD21 LEU 103 3HD2 LEU 103 -9.181 3.330 9.510 670 HD22 LEU 103 1HD2 LEU 103 -8.377 2.397 10.772 671 HD23 LEU 103 2HD2 LEU 103 -10.129 2.531 10.757 672 H ILE 104 H ILE 104 -6.829 2.013 5.327 673 HA ILE 104 HA ILE 104 -5.816 4.569 6.139 674 HB ILE 104 HB ILE 104 -4.980 2.894 3.769 675 HG12 ILE 104 2HG1 ILE 104 -3.520 2.974 6.386 676 HG13 ILE 104 1HG1 ILE 104 -4.903 1.901 6.196 677 HG21 ILE 104 1HG2 ILE 104 -2.825 4.118 4.065 678 HG22 ILE 104 2HG2 ILE 104 -3.637 5.159 5.235 679 HG23 ILE 104 3HG2 ILE 104 -4.172 5.135 3.554 680 HD11 ILE 104 3HD1 ILE 104 -3.698 1.040 4.109 681 HD12 ILE 104 1HD1 ILE 104 -3.066 0.573 5.688 682 HD13 ILE 104 2HD1 ILE 104 -2.277 1.853 4.765 683 H LEU 105 H LEU 105 -7.108 3.326 3.048 684 HA LEU 105 HA LEU 105 -7.097 5.754 1.680 685 HB2 LEU 105 2HB LEU 105 -8.479 4.730 0.066 686 HB3 LEU 105 1HB LEU 105 -7.467 3.454 0.714 687 HG LEU 105 HG LEU 105 -9.549 3.064 2.301 688 HD11 LEU 105 1HD1 LEU 105 -11.596 3.377 0.724 689 HD12 LEU 105 2HD1 LEU 105 -10.614 4.660 0.015 690 HD13 LEU 105 3HD1 LEU 105 -11.043 4.719 1.725 691 HD21 LEU 105 3HD2 LEU 105 -8.683 1.361 0.868 692 HD22 LEU 105 1HD2 LEU 105 -9.304 2.176 -0.567 693 HD23 LEU 105 2HD2 LEU 105 -10.423 1.463 0.595 694 H HIS 106 H HIS 106 -9.353 4.486 4.018 695 HA HIS 106 HA HIS 106 -11.458 6.328 3.448 696 HB2 HIS 106 2HB HIS 106 -10.991 4.143 5.279 697 HB3 HIS 106 1HB HIS 106 -11.694 5.507 6.125 698 HD1 HIS 106 1HD HIS 106 -14.128 5.127 6.307 699 HD2 HIS 106 2HD HIS 106 -12.650 3.952 2.605 700 HE1 HIS 106 1HE HIS 106 -16.133 4.368 4.993 701 HE2 HIS 106 2HE HIS 106 -15.204 3.581 2.787 702 H ASN 107 H ASN 107 -9.059 6.138 6.078 703 HA ASN 107 HA ASN 107 -9.743 8.609 7.250 704 HB2 ASN 107 2HB ASN 107 -7.461 6.709 7.465 705 HB3 ASN 107 1HB ASN 107 -7.214 8.338 8.071 706 HD21 ASN 107 1HD2 ASN 107 -7.567 8.497 10.150 707 HD22 ASN 107 2HD2 ASN 107 -8.745 7.620 11.063 708 H ASP 108 H ASP 108 -7.248 7.706 4.902 709 HA ASP 108 HA ASP 108 -6.004 10.213 4.713 710 HB2 ASP 108 2HB ASP 108 -6.103 7.757 3.043 711 HB3 ASP 108 1HB ASP 108 -5.554 9.235 2.257 712 H LEU 109 H LEU 109 -8.988 9.032 3.415 713 HA LEU 109 HA LEU 109 -9.200 11.266 1.547 714 HB2 LEU 109 2HB LEU 109 -9.870 8.854 1.005 715 HB3 LEU 109 1HB LEU 109 -11.264 9.134 2.025 716 HG LEU 109 HG LEU 109 -10.791 11.123 -0.117 717 HD11 LEU 109 1HD1 LEU 109 -10.299 9.164 -1.378 718 HD12 LEU 109 2HD1 LEU 109 -11.957 9.635 -1.754 719 HD13 LEU 109 3HD1 LEU 109 -11.650 8.289 -0.657 720 HD21 LEU 109 3HD2 LEU 109 -13.220 9.705 0.967 721 HD22 LEU 109 1HD2 LEU 109 -13.241 10.961 -0.271 722 HD23 LEU 109 2HD2 LEU 109 -12.689 11.339 1.364 723 H HIS 110 H HIS 110 -10.538 10.092 4.557 724 HA HIS 110 HA HIS 110 -12.623 12.089 4.634 725 HB2 HIS 110 2HB HIS 110 -12.410 9.662 5.777 726 HB3 HIS 110 1HB HIS 110 -11.857 10.663 7.116 727 HD1 HIS 110 1HD HIS 110 -14.059 12.898 5.759 728 HD2 HIS 110 2HD HIS 110 -14.654 9.230 7.617 729 HE1 HIS 110 1HE HIS 110 -16.442 12.935 6.576 730 HE2 HIS 110 2HE HIS 110 -16.747 10.732 7.763 731 H GLU 111 H GLU 111 -9.319 11.946 5.533 732 HA GLU 111 HA GLU 111 -9.228 13.639 7.735 733 HB2 GLU 111 2HB GLU 111 -6.905 14.241 6.827 734 HB3 GLU 111 1HB GLU 111 -7.223 12.556 7.214 735 HG2 GLU 111 2HG GLU 111 -6.927 11.896 5.108 736 HG3 GLU 111 1HG GLU 111 -7.854 13.245 4.455 737 H TYR 112 H TYR 112 -9.437 14.407 4.296 738 HA TYR 112 HA TYR 112 -10.542 16.975 4.831 739 HB2 TYR 112 2HB TYR 112 -7.785 16.947 4.975 740 HB3 TYR 112 1HB TYR 112 -8.085 17.452 3.308 741 HD1 TYR 112 2HD TYR 112 -9.750 19.409 2.981 742 HD2 TYR 112 1HD TYR 112 -7.881 18.507 6.695 743 HE1 TYR 112 2HE TYR 112 -10.201 21.697 3.756 744 HE2 TYR 112 1HE TYR 112 -8.333 20.796 7.486 745 HH TYR 112 HH TYR 112 -9.895 22.635 6.998 746 H VAL 113 H VAL 113 -8.665 15.157 2.403 747 HA VAL 113 HA VAL 113 -10.007 16.296 0.175 748 HB VAL 113 HB VAL 113 -7.768 15.308 -0.023 749 HG11 VAL 113 1HG1 VAL 113 -7.249 13.183 0.505 750 HG12 VAL 113 2HG1 VAL 113 -8.783 12.547 -0.087 751 HG13 VAL 113 3HG1 VAL 113 -8.695 13.292 1.510 752 HG21 VAL 113 3HG2 VAL 113 -9.320 13.541 -1.795 753 HG22 VAL 113 1HG2 VAL 113 -8.078 14.733 -2.178 754 HG23 VAL 113 2HG2 VAL 113 -9.733 15.253 -1.866 755 H GLU 114 H GLU 114 -12.181 15.907 1.340 756 HA GLU 114 HA GLU 114 -13.223 13.217 0.953 757 HB2 GLU 114 2HB GLU 114 -13.865 15.445 2.629 758 HB3 GLU 114 1HB GLU 114 -15.286 15.030 1.679 759 HG2 GLU 114 2HG GLU 114 -13.853 12.778 2.926 760 HG3 GLU 114 1HG GLU 114 -14.678 13.891 4.025 Start of MODEL 15 1 H THR 26 H THR 26 -8.190 -19.124 -7.141 2 HA THR 26 HA THR 26 -7.191 -17.194 -6.474 3 HB THR 26 HB THR 26 -5.649 -17.984 -8.257 4 HG1 THR 26 1HG THR 26 -4.481 -16.196 -8.127 5 HG21 THR 26 3HG2 THR 26 -5.599 -16.527 -10.341 6 HG22 THR 26 1HG2 THR 26 -7.286 -16.162 -9.977 7 HG23 THR 26 2HG2 THR 26 -6.790 -17.827 -10.283 8 H SER 27 H SER 27 -6.905 -14.741 -7.031 9 HA SER 27 HA SER 27 -8.824 -13.421 -8.593 10 HB2 SER 27 2HB SER 27 -10.558 -12.882 -7.149 11 HB3 SER 27 1HB SER 27 -10.202 -14.536 -6.649 12 H LYS 28 H LYS 28 -9.277 -11.124 -7.111 13 HA LYS 28 HA LYS 28 -7.048 -10.153 -5.713 14 HB2 LYS 28 2HB LYS 28 -6.073 -8.675 -7.448 15 HB3 LYS 28 1HB LYS 28 -5.838 -10.383 -7.795 16 HG2 LYS 28 2HG LYS 28 -7.609 -10.346 -9.426 17 HG3 LYS 28 1HG LYS 28 -7.996 -8.675 -9.014 18 HD2 LYS 28 2HD LYS 28 -6.644 -8.163 -10.734 19 HD3 LYS 28 1HD LYS 28 -5.341 -8.490 -9.591 20 HE2 LYS 28 2HE LYS 28 -5.516 -10.921 -10.381 21 HE3 LYS 28 1HE LYS 28 -6.461 -10.280 -11.724 22 HZ1 LYS 28 3HZ LYS 28 -4.606 -8.897 -12.355 23 HZ2 LYS 28 1HZ LYS 28 -4.101 -10.510 -12.267 24 HZ3 LYS 28 2HZ LYS 28 -3.702 -9.430 -11.028 25 H GLN 29 H GLN 29 -7.490 -8.221 -4.797 26 HA GLN 29 HA GLN 29 -9.912 -6.830 -5.738 27 HB2 GLN 29 2HB GLN 29 -8.890 -6.724 -2.906 28 HB3 GLN 29 1HB GLN 29 -10.492 -6.301 -3.510 29 HG2 GLN 29 2HG GLN 29 -10.337 -8.921 -4.202 30 HG3 GLN 29 1HG GLN 29 -9.400 -8.897 -2.709 31 HE21 GLN 29 1HE2 GLN 29 -11.211 -10.292 -2.022 32 HE22 GLN 29 2HE2 GLN 29 -12.620 -9.534 -1.372 33 H GLU 30 H GLU 30 -9.892 -4.618 -5.881 34 HA GLU 30 HA GLU 30 -7.276 -3.344 -5.458 35 HB2 GLU 30 2HB GLU 30 -7.497 -2.127 -7.467 36 HB3 GLU 30 1HB GLU 30 -7.952 -3.779 -7.862 37 HG2 GLU 30 2HG GLU 30 -9.658 -2.739 -8.894 38 HG3 GLU 30 1HG GLU 30 -10.368 -2.812 -7.282 39 H LEU 31 H LEU 31 -7.331 -1.840 -3.950 40 HA LEU 31 HA LEU 31 -9.873 -0.577 -3.260 41 HB2 LEU 31 2HB LEU 31 -7.280 -0.189 -1.797 42 HB3 LEU 31 1HB LEU 31 -8.916 -0.005 -1.193 43 HG LEU 31 HG LEU 31 -8.944 -2.636 -1.813 44 HD11 LEU 31 1HD1 LEU 31 -6.766 -3.028 -2.457 45 HD12 LEU 31 2HD1 LEU 31 -6.709 -3.422 -0.739 46 HD13 LEU 31 3HD1 LEU 31 -6.105 -1.866 -1.308 47 HD21 LEU 31 3HD2 LEU 31 -8.128 -2.844 0.700 48 HD22 LEU 31 1HD2 LEU 31 -9.700 -2.160 0.283 49 HD23 LEU 31 2HD2 LEU 31 -8.344 -1.094 0.651 50 H ILE 32 H ILE 32 -10.179 1.652 -3.258 51 HA ILE 32 HA ILE 32 -8.177 3.166 -4.801 52 HB ILE 32 HB ILE 32 -10.062 4.672 -5.430 53 HG12 ILE 32 2HG1 ILE 32 -11.796 2.478 -4.275 54 HG13 ILE 32 1HG1 ILE 32 -11.538 4.048 -3.519 55 HG21 ILE 32 1HG2 ILE 32 -9.781 1.850 -6.249 56 HG22 ILE 32 2HG2 ILE 32 -9.642 3.329 -7.199 57 HG23 ILE 32 3HG2 ILE 32 -11.234 2.686 -6.797 58 HD11 ILE 32 3HD1 ILE 32 -13.490 3.334 -5.396 59 HD12 ILE 32 1HD1 ILE 32 -12.375 4.417 -6.226 60 HD13 ILE 32 2HD1 ILE 32 -13.158 4.932 -4.732 61 H LEU 33 H LEU 33 -7.325 4.972 -3.983 62 HA LEU 33 HA LEU 33 -8.375 5.950 -1.410 63 HB2 LEU 33 2HB LEU 33 -6.191 4.934 -1.151 64 HB3 LEU 33 1HB LEU 33 -5.548 5.898 -2.471 65 HG LEU 33 HG LEU 33 -4.892 6.601 -0.132 66 HD11 LEU 33 1HD1 LEU 33 -4.393 8.534 -1.079 67 HD12 LEU 33 2HD1 LEU 33 -6.081 9.038 -1.063 68 HD13 LEU 33 3HD1 LEU 33 -5.453 8.104 -2.420 69 HD21 LEU 33 3HD2 LEU 33 -6.428 7.036 1.399 70 HD22 LEU 33 1HD2 LEU 33 -7.683 6.564 0.255 71 HD23 LEU 33 2HD2 LEU 33 -7.171 8.248 0.359 72 H VAL 34 H VAL 34 -8.501 8.189 -1.086 73 HA VAL 34 HA VAL 34 -8.131 9.829 -3.501 74 HB VAL 34 HB VAL 34 -10.333 10.207 -1.475 75 HG11 VAL 34 1HG1 VAL 34 -11.134 11.929 -2.820 76 HG12 VAL 34 2HG1 VAL 34 -10.163 11.422 -4.201 77 HG13 VAL 34 3HG1 VAL 34 -9.386 12.178 -2.816 78 HG21 VAL 34 3HG2 VAL 34 -11.215 8.404 -2.498 79 HG22 VAL 34 1HG2 VAL 34 -10.188 8.576 -3.921 80 HG23 VAL 34 2HG2 VAL 34 -11.628 9.579 -3.744 81 H LEU 35 H LEU 35 -6.459 11.030 -3.135 82 HA LEU 35 HA LEU 35 -5.823 12.044 -0.509 83 HB2 LEU 35 2HB LEU 35 -4.357 11.268 -2.717 84 HB3 LEU 35 1HB LEU 35 -4.207 13.014 -2.734 85 HG LEU 35 HG LEU 35 -3.677 11.529 -0.197 86 HD11 LEU 35 1HD1 LEU 35 -1.887 11.671 -2.590 87 HD12 LEU 35 2HD1 LEU 35 -2.305 10.275 -1.602 88 HD13 LEU 35 3HD1 LEU 35 -1.243 11.527 -0.957 89 HD21 LEU 35 3HD2 LEU 35 -3.482 13.734 0.292 90 HD22 LEU 35 1HD2 LEU 35 -3.108 14.180 -1.368 91 HD23 LEU 35 2HD2 LEU 35 -1.855 13.483 -0.346 92 H LYS 36 H LYS 36 -8.154 13.149 -1.061 93 HA LYS 36 HA LYS 36 -7.986 15.601 -2.517 94 HB2 LYS 36 2HB LYS 36 -10.066 14.109 -1.857 95 HB3 LYS 36 1HB LYS 36 -10.084 15.142 -0.430 96 HG2 LYS 36 2HG LYS 36 -9.947 17.053 -2.232 97 HG3 LYS 36 1HG LYS 36 -10.629 15.813 -3.284 98 HD2 LYS 36 2HD LYS 36 -12.628 15.828 -2.223 99 HD3 LYS 36 1HD LYS 36 -11.905 16.098 -0.634 100 HE2 LYS 36 2HE LYS 36 -11.932 18.371 -0.862 101 HE3 LYS 36 1HE LYS 36 -11.766 18.310 -2.614 102 HZ1 LYS 36 3HZ LYS 36 -14.161 17.249 -2.375 103 HZ2 LYS 36 1HZ LYS 36 -13.927 18.929 -2.470 104 HZ3 LYS 36 2HZ LYS 36 -14.175 18.196 -0.967 105 H GLY 37 H GLY 37 -7.523 17.613 -1.817 106 HA2 GLY 37 2HA GLY 37 -7.295 19.352 -0.234 107 HA3 GLY 37 1HA GLY 37 -7.367 18.154 1.046 108 H GLU 38 H GLU 38 -5.276 18.722 -1.787 109 HA GLU 38 HA GLU 38 -2.973 18.987 -0.033 110 HB2 GLU 38 2HB GLU 38 -3.484 16.499 -0.877 111 HB3 GLU 38 1HB GLU 38 -2.586 17.084 -2.281 112 HG2 GLU 38 2HG GLU 38 -0.958 16.113 -0.950 113 HG3 GLU 38 1HG GLU 38 -0.819 17.836 -0.580 114 H LEU 39 H LEU 39 -1.846 20.677 -0.723 115 HA LEU 39 HA LEU 39 -1.568 21.126 -3.608 116 HB2 LEU 39 2HB LEU 39 -3.395 22.554 -2.513 117 HB3 LEU 39 1HB LEU 39 -2.084 23.396 -1.707 118 HG LEU 39 HG LEU 39 -1.131 23.881 -4.000 119 HD11 LEU 39 1HD1 LEU 39 -2.363 23.529 -5.928 120 HD12 LEU 39 2HD1 LEU 39 -3.875 23.308 -5.044 121 HD13 LEU 39 3HD1 LEU 39 -2.638 22.044 -5.025 122 HD21 LEU 39 3HD2 LEU 39 -2.069 25.751 -3.063 123 HD22 LEU 39 1HD2 LEU 39 -3.656 25.004 -2.887 124 HD23 LEU 39 2HD2 LEU 39 -3.114 25.554 -4.472 125 H ASP 40 H ASP 40 0.277 19.977 -1.766 126 HA ASP 40 HA ASP 40 2.446 21.928 -2.034 127 HB2 ASP 40 2HB ASP 40 1.440 20.736 0.500 128 HB3 ASP 40 1HB ASP 40 3.190 20.836 0.306 129 H LEU 41 H LEU 41 1.635 18.597 -1.055 130 HA LEU 41 HA LEU 41 3.334 17.452 -3.033 131 HB2 LEU 41 2HB LEU 41 5.084 16.554 -1.705 132 HB3 LEU 41 1HB LEU 41 5.016 18.269 -1.350 133 HG LEU 41 HG LEU 41 5.364 17.278 0.728 134 HD11 LEU 41 1HD1 LEU 41 3.522 18.874 0.819 135 HD12 LEU 41 2HD1 LEU 41 3.302 17.588 1.993 136 HD13 LEU 41 3HD1 LEU 41 2.373 17.579 0.493 137 HD21 LEU 41 3HD2 LEU 41 3.146 15.334 0.660 138 HD22 LEU 41 1HD2 LEU 41 4.767 15.193 1.341 139 HD23 LEU 41 2HD2 LEU 41 4.524 14.974 -0.391 140 H HIS 42 H HIS 42 3.529 15.023 -2.681 141 HA HIS 42 HA HIS 42 1.690 13.782 -0.887 142 HB2 HIS 42 2HB HIS 42 0.207 12.836 -2.629 143 HB3 HIS 42 1HB HIS 42 0.072 14.585 -2.511 144 HD1 HIS 42 1HD HIS 42 -0.455 12.592 -5.052 145 HD2 HIS 42 2HD HIS 42 2.646 15.290 -4.485 146 HE1 HIS 42 1HE HIS 42 0.387 13.135 -7.354 147 HE2 HIS 42 2HE HIS 42 2.204 14.841 -6.992 148 H SER 43 H SER 43 3.765 12.780 -0.460 149 HA SER 43 HA SER 43 4.276 10.549 -2.308 150 HB2 SER 43 2HB SER 43 6.024 12.554 -2.171 151 HB3 SER 43 1HB SER 43 6.570 11.662 -0.758 152 HG SER 43 HG SER 43 7.252 11.173 -3.181 153 H LYS 44 H LYS 44 3.055 11.232 0.569 154 HA LYS 44 HA LYS 44 4.520 9.310 2.178 155 HB2 LYS 44 2HB LYS 44 2.352 11.288 2.655 156 HB3 LYS 44 1HB LYS 44 2.422 9.893 3.724 157 HG2 LYS 44 2HG LYS 44 4.918 11.428 3.233 158 HG3 LYS 44 1HG LYS 44 3.688 12.119 4.290 159 HD2 LYS 44 2HD LYS 44 3.706 9.888 5.511 160 HD3 LYS 44 1HD LYS 44 5.175 9.528 4.609 161 HE2 LYS 44 2HE LYS 44 6.356 11.277 5.630 162 HE3 LYS 44 1HE LYS 44 4.888 12.045 6.202 163 HZ1 LYS 44 3HZ LYS 44 4.698 9.720 7.445 164 HZ2 LYS 44 1HZ LYS 44 5.497 11.048 8.113 165 HZ3 LYS 44 2HZ LYS 44 6.384 9.839 7.350 166 H ASN 45 H ASN 45 1.480 9.558 0.446 167 HA ASN 45 HA ASN 45 0.180 7.308 1.468 168 HB2 ASN 45 2HB ASN 45 0.019 8.801 -1.125 169 HB3 ASN 45 1HB ASN 45 -0.874 7.296 -0.931 170 HD21 ASN 45 1HD2 ASN 45 -2.742 7.310 0.151 171 HD22 ASN 45 2HD2 ASN 45 -3.405 8.686 0.958 172 H MET 46 H MET 46 2.401 7.609 -1.283 173 HA MET 46 HA MET 46 2.269 4.974 -2.190 174 HB2 MET 46 2HB MET 46 4.509 5.402 -3.179 175 HB3 MET 46 1HB MET 46 3.345 6.685 -3.511 176 HG2 MET 46 2HG MET 46 4.332 8.041 -1.739 177 HG3 MET 46 1HG MET 46 5.491 6.757 -1.403 178 HE1 MET 46 3HE MET 46 3.838 8.501 -4.192 179 HE2 MET 46 1HE MET 46 4.864 7.937 -5.509 180 HE3 MET 46 2HE MET 46 5.078 9.558 -4.851 181 H LYS 47 H LYS 47 4.406 6.446 0.228 182 HA LYS 47 HA LYS 47 5.877 4.086 0.766 183 HB2 LYS 47 2HB LYS 47 5.427 6.439 2.607 184 HB3 LYS 47 1HB LYS 47 6.742 5.269 2.695 185 HG2 LYS 47 2HG LYS 47 7.515 6.060 0.468 186 HG3 LYS 47 1HG LYS 47 6.276 7.317 0.539 187 HD2 LYS 47 2HD LYS 47 7.685 8.598 1.678 188 HD3 LYS 47 1HD LYS 47 7.679 7.412 2.984 189 HE2 LYS 47 2HE LYS 47 9.931 7.552 2.480 190 HE3 LYS 47 1HE LYS 47 9.427 6.174 1.504 191 HZ1 LYS 47 3HZ LYS 47 9.027 8.121 -0.231 192 HZ2 LYS 47 1HZ LYS 47 10.516 7.338 -0.077 193 HZ3 LYS 47 2HZ LYS 47 10.266 8.835 0.667 194 H ASN 48 H ASN 48 2.784 5.226 1.782 195 HA ASN 48 HA ASN 48 2.589 3.674 4.167 196 HB2 ASN 48 2HB ASN 48 0.863 5.456 2.618 197 HB3 ASN 48 1HB ASN 48 -0.012 4.102 3.328 198 HD21 ASN 48 1HD2 ASN 48 1.501 7.097 3.883 199 HD22 ASN 48 2HD2 ASN 48 1.255 7.170 5.592 200 H VAL 49 H VAL 49 1.591 3.205 0.807 201 HA VAL 49 HA VAL 49 0.222 0.761 1.229 202 HB VAL 49 HB VAL 49 1.561 1.621 -1.334 203 HG11 VAL 49 1HG1 VAL 49 -0.452 -0.425 -0.578 204 HG12 VAL 49 2HG1 VAL 49 0.827 -0.486 -1.792 205 HG13 VAL 49 3HG1 VAL 49 -0.661 0.401 -2.124 206 HG21 VAL 49 3HG2 VAL 49 -0.305 3.109 0.052 207 HG22 VAL 49 1HG2 VAL 49 -1.280 2.204 -1.106 208 HG23 VAL 49 2HG2 VAL 49 0.043 3.223 -1.674 209 H ILE 50 H ILE 50 3.507 1.485 0.066 210 HA ILE 50 HA ILE 50 4.340 -1.168 -0.285 211 HB ILE 50 HB ILE 50 5.583 0.751 -1.184 212 HG12 ILE 50 2HG1 ILE 50 7.473 -0.637 0.684 213 HG13 ILE 50 1HG1 ILE 50 6.621 -1.565 -0.541 214 HG21 ILE 50 1HG2 ILE 50 5.271 2.145 0.901 215 HG22 ILE 50 2HG2 ILE 50 6.862 2.219 0.148 216 HG23 ILE 50 3HG2 ILE 50 6.616 1.242 1.595 217 HD11 ILE 50 3HD1 ILE 50 8.914 -0.789 -1.168 218 HD12 ILE 50 1HD1 ILE 50 8.274 0.855 -1.178 219 HD13 ILE 50 2HD1 ILE 50 7.629 -0.348 -2.297 220 H ASN 51 H ASN 51 4.422 0.949 2.541 221 HA ASN 51 HA ASN 51 5.874 -0.879 4.181 222 HB2 ASN 51 2HB ASN 51 4.432 1.695 4.602 223 HB3 ASN 51 1HB ASN 51 4.737 0.687 6.014 224 HD21 ASN 51 1HD2 ASN 51 6.679 0.747 6.929 225 HD22 ASN 51 2HD2 ASN 51 8.061 1.559 6.283 226 H ASN 52 H ASN 52 2.449 -0.054 3.825 227 HA ASN 52 HA ASN 52 1.522 -1.780 5.866 228 HB2 ASN 52 2HB ASN 52 0.225 -0.399 3.537 229 HB3 ASN 52 1HB ASN 52 -0.683 -1.579 4.478 230 HD21 ASN 52 1HD2 ASN 52 -0.536 -1.218 6.900 231 HD22 ASN 52 2HD2 ASN 52 -0.698 0.415 7.440 232 H ALA 53 H ALA 53 1.744 -2.158 2.343 233 HA ALA 53 HA ALA 53 0.643 -4.715 2.153 234 HB1 ALA 53 1HB ALA 53 1.954 -4.886 0.032 235 HB2 ALA 53 2HB ALA 53 2.735 -3.362 0.455 236 HB3 ALA 53 3HB ALA 53 0.995 -3.413 0.175 237 H LYS 54 H LYS 54 3.820 -3.651 3.127 238 HA LYS 54 HA LYS 54 5.022 -6.260 2.991 239 HB2 LYS 54 2HB LYS 54 5.869 -3.562 3.954 240 HB3 LYS 54 1HB LYS 54 6.761 -4.971 4.509 241 HG2 LYS 54 2HG LYS 54 7.127 -5.604 2.136 242 HG3 LYS 54 1HG LYS 54 6.362 -4.087 1.661 243 HD2 LYS 54 2HD LYS 54 8.089 -2.919 3.093 244 HD3 LYS 54 1HD LYS 54 8.919 -4.473 3.202 245 HE2 LYS 54 2HE LYS 54 8.805 -4.475 0.632 246 HE3 LYS 54 1HE LYS 54 8.442 -2.755 0.789 247 HZ1 LYS 54 3HZ LYS 54 10.668 -2.586 0.710 248 HZ2 LYS 54 1HZ LYS 54 10.931 -4.168 1.250 249 HZ3 LYS 54 2HZ LYS 54 10.572 -2.944 2.360 250 H LYS 55 H LYS 55 3.945 -4.112 5.615 251 HA LYS 55 HA LYS 55 4.526 -5.823 7.748 252 HB2 LYS 55 2HB LYS 55 3.797 -3.345 7.767 253 HB3 LYS 55 1HB LYS 55 2.154 -3.972 7.744 254 HG2 LYS 55 2HG LYS 55 2.398 -4.995 9.843 255 HG3 LYS 55 1HG LYS 55 4.154 -4.829 9.809 256 HD2 LYS 55 2HD LYS 55 2.953 -2.245 9.534 257 HD3 LYS 55 1HD LYS 55 2.256 -3.065 10.932 258 HE2 LYS 55 2HE LYS 55 4.880 -3.641 11.263 259 HE3 LYS 55 1HE LYS 55 4.989 -2.063 10.485 260 HZ1 LYS 55 3HZ LYS 55 4.619 -2.464 13.124 261 HZ2 LYS 55 1HZ LYS 55 3.033 -2.194 12.598 262 HZ3 LYS 55 2HZ LYS 55 4.230 -1.037 12.302 263 H ASN 56 H ASN 56 1.794 -5.698 5.562 264 HA ASN 56 HA ASN 56 0.106 -7.443 7.043 265 HB2 ASN 56 2HB ASN 56 0.105 -6.811 4.081 266 HB3 ASN 56 1HB ASN 56 -1.203 -7.602 4.965 267 HD21 ASN 56 1HD2 ASN 56 -1.016 -5.034 3.454 268 HD22 ASN 56 2HD2 ASN 56 -1.604 -3.834 4.549 269 H LEU 57 H LEU 57 2.246 -7.938 4.242 270 HA LEU 57 HA LEU 57 1.818 -10.612 3.759 271 HB2 LEU 57 2HB LEU 57 4.265 -8.892 3.538 272 HB3 LEU 57 1HB LEU 57 4.349 -10.607 3.159 273 HG LEU 57 HG LEU 57 2.188 -9.075 1.830 274 HD11 LEU 57 1HD1 LEU 57 3.443 -7.721 0.559 275 HD12 LEU 57 2HD1 LEU 57 4.760 -8.888 0.435 276 HD13 LEU 57 3HD1 LEU 57 4.619 -7.864 1.864 277 HD21 LEU 57 3HD2 LEU 57 2.307 -11.324 1.223 278 HD22 LEU 57 1HD2 LEU 57 4.070 -11.309 1.156 279 HD23 LEU 57 2HD2 LEU 57 3.133 -10.490 -0.094 280 H GLU 58 H GLU 58 4.388 -9.295 5.848 281 HA GLU 58 HA GLU 58 5.219 -11.750 6.900 282 HB2 GLU 58 2HB GLU 58 6.322 -10.444 8.643 283 HB3 GLU 58 1HB GLU 58 6.543 -9.686 7.072 284 HG2 GLU 58 2HG GLU 58 4.935 -8.007 7.567 285 HG3 GLU 58 1HG GLU 58 4.427 -8.844 9.033 286 H LYS 59 H LYS 59 2.582 -9.638 7.773 287 HA LYS 59 HA LYS 59 2.021 -10.534 10.347 288 HB2 LYS 59 2HB LYS 59 0.875 -8.742 8.661 289 HB3 LYS 59 1HB LYS 59 -0.319 -10.031 8.615 290 HG2 LYS 59 2HG LYS 59 0.216 -9.775 11.301 291 HG3 LYS 59 1HG LYS 59 0.280 -8.112 10.713 292 HD2 LYS 59 2HD LYS 59 -1.928 -8.332 9.746 293 HD3 LYS 59 1HD LYS 59 -1.987 -10.037 10.198 294 HE2 LYS 59 2HE LYS 59 -1.423 -8.204 12.417 295 HE3 LYS 59 1HE LYS 59 -3.009 -7.990 11.678 296 HZ1 LYS 59 3HZ LYS 59 -2.587 -9.727 13.597 297 HZ2 LYS 59 1HZ LYS 59 -2.168 -10.719 12.293 298 HZ3 LYS 59 2HZ LYS 59 -3.707 -10.021 12.364 299 H TYR 60 H TYR 60 1.233 -11.935 7.222 300 HA TYR 60 HA TYR 60 -0.428 -14.005 8.342 301 HB2 TYR 60 2HB TYR 60 0.779 -14.113 5.591 302 HB3 TYR 60 1HB TYR 60 -0.774 -14.741 6.146 303 HD1 TYR 60 2HD TYR 60 -2.480 -12.902 6.965 304 HD2 TYR 60 1HD TYR 60 0.815 -12.151 4.383 305 HE1 TYR 60 2HE TYR 60 -3.592 -10.867 6.148 306 HE2 TYR 60 1HE TYR 60 -0.288 -10.113 3.557 307 HH TYR 60 HH TYR 60 -3.352 -9.470 3.762 308 H PHE 61 H PHE 61 2.906 -13.653 7.308 309 HA PHE 61 HA PHE 61 3.512 -16.451 7.515 310 HB2 PHE 61 2HB PHE 61 4.701 -14.505 6.157 311 HB3 PHE 61 1HB PHE 61 5.660 -14.382 7.634 312 HD1 PHE 61 1HD PHE 61 6.630 -16.643 8.523 313 HD2 PHE 61 2HD PHE 61 5.359 -15.976 4.518 314 HE1 PHE 61 1HE PHE 61 8.034 -18.518 7.769 315 HE2 PHE 61 2HE PHE 61 6.759 -17.849 3.756 316 HZ PHE 61 HZ PHE 61 8.100 -19.124 5.383 317 H LYS 62 H LYS 62 3.479 -13.756 9.694 318 HA LYS 62 HA LYS 62 5.141 -15.098 11.657 319 HB2 LYS 62 2HB LYS 62 4.135 -12.396 11.236 320 HB3 LYS 62 1HB LYS 62 3.982 -12.911 12.910 321 HG2 LYS 62 2HG LYS 62 6.540 -13.701 12.165 322 HG3 LYS 62 1HG LYS 62 6.327 -12.110 11.433 323 HD2 LYS 62 2HD LYS 62 5.270 -11.931 14.035 324 HD3 LYS 62 1HD LYS 62 6.798 -12.802 14.182 325 HE2 LYS 62 2HE LYS 62 7.055 -10.355 14.404 326 HE3 LYS 62 1HE LYS 62 7.971 -11.026 13.055 327 HZ1 LYS 62 3HZ LYS 62 6.554 -8.892 12.736 328 HZ2 LYS 62 1HZ LYS 62 5.269 -9.981 12.574 329 HZ3 LYS 62 2HZ LYS 62 6.588 -10.067 11.519 330 H GLU 63 H GLU 63 1.749 -14.456 11.059 331 HA GLU 63 HA GLU 63 1.022 -15.640 13.630 332 HB2 GLU 63 2HB GLU 63 -0.048 -13.545 12.144 333 HB3 GLU 63 1HB GLU 63 -1.210 -14.858 11.942 334 HG2 GLU 63 2HG GLU 63 -2.064 -14.333 13.909 335 HG3 GLU 63 1HG GLU 63 -0.550 -14.832 14.662 336 H HIS 64 H HIS 64 0.217 -16.066 10.174 337 HA HIS 64 HA HIS 64 -0.702 -18.776 10.840 338 HB2 HIS 64 2HB HIS 64 -1.328 -17.314 8.286 339 HB3 HIS 64 1HB HIS 64 -2.150 -18.713 8.968 340 HD1 HIS 64 1HD HIS 64 -2.250 -15.066 8.865 341 HD2 HIS 64 2HD HIS 64 -3.716 -18.064 11.340 342 HE1 HIS 64 1HE HIS 64 -4.037 -13.975 10.257 343 HE2 HIS 64 2HE HIS 64 -4.963 -15.825 11.694 344 H PHE 65 H PHE 65 2.051 -17.531 9.956 345 HA PHE 65 HA PHE 65 3.837 -18.140 8.657 346 HB2 PHE 65 2HB PHE 65 3.072 -20.239 10.189 347 HB3 PHE 65 1HB PHE 65 2.983 -20.970 8.584 348 HD1 PHE 65 1HD PHE 65 5.229 -19.222 10.946 349 HD2 PHE 65 2HD PHE 65 4.927 -21.602 7.430 350 HE1 PHE 65 1HE PHE 65 7.664 -19.571 10.977 351 HE2 PHE 65 2HE PHE 65 7.361 -21.956 7.456 352 HZ PHE 65 HZ PHE 65 8.734 -20.939 9.230 353 H LYS 66 H LYS 66 1.374 -17.459 7.201 354 HA LYS 66 HA LYS 66 1.607 -19.171 4.831 355 HB2 LYS 66 2HB LYS 66 -0.557 -17.637 6.051 356 HB3 LYS 66 1HB LYS 66 -0.418 -17.352 4.322 357 HG2 LYS 66 2HG LYS 66 -0.364 -20.160 5.291 358 HG3 LYS 66 1HG LYS 66 -1.903 -19.296 5.288 359 HD2 LYS 66 2HD LYS 66 -2.036 -20.023 3.162 360 HD3 LYS 66 1HD LYS 66 -0.957 -18.666 2.826 361 HE2 LYS 66 2HE LYS 66 0.198 -20.362 1.813 362 HE3 LYS 66 1HE LYS 66 0.901 -20.428 3.428 363 HZ1 LYS 66 3HZ LYS 66 -1.332 -22.138 2.473 364 HZ2 LYS 66 1HZ LYS 66 -0.582 -22.228 3.988 365 HZ3 LYS 66 2HZ LYS 66 0.284 -22.625 2.590 366 H GLU 67 H GLU 67 2.356 -18.437 2.916 367 HA GLU 67 HA GLU 67 3.336 -15.661 2.853 368 HB2 GLU 67 2HB GLU 67 5.005 -16.440 1.227 369 HB3 GLU 67 1HB GLU 67 5.120 -17.320 2.746 370 HG2 GLU 67 2HG GLU 67 3.404 -18.873 1.272 371 HG3 GLU 67 1HG GLU 67 4.543 -18.281 0.063 372 H PHE 68 H PHE 68 1.307 -17.984 1.293 373 HA PHE 68 HA PHE 68 1.131 -16.955 -1.285 374 HB2 PHE 68 2HB PHE 68 -0.385 -18.774 0.376 375 HB3 PHE 68 1HB PHE 68 -1.464 -17.793 -0.610 376 HD1 PHE 68 1HD PHE 68 -0.724 -17.586 -3.143 377 HD2 PHE 68 2HD PHE 68 0.424 -20.726 -0.510 378 HE1 PHE 68 1HE PHE 68 -0.276 -19.037 -5.078 379 HE2 PHE 68 2HE PHE 68 0.874 -22.185 -2.441 380 HZ PHE 68 HZ PHE 68 0.525 -21.341 -4.728 381 H ASP 69 H ASP 69 1.184 -14.703 -1.255 382 HA ASP 69 HA ASP 69 -1.274 -13.380 -1.318 383 HB2 ASP 69 2HB ASP 69 0.038 -13.439 1.314 384 HB3 ASP 69 1HB ASP 69 -0.390 -11.824 0.759 385 H LYS 70 H LYS 70 -0.709 -12.223 -3.055 386 HA LYS 70 HA LYS 70 1.832 -10.748 -3.002 387 HB2 LYS 70 2HB LYS 70 0.034 -11.387 -5.349 388 HB3 LYS 70 1HB LYS 70 1.589 -10.571 -5.436 389 HG2 LYS 70 2HG LYS 70 1.966 -13.019 -4.055 390 HG3 LYS 70 1HG LYS 70 1.034 -13.349 -5.517 391 HD2 LYS 70 2HD LYS 70 3.522 -11.665 -5.565 392 HD3 LYS 70 1HD LYS 70 3.584 -13.423 -5.699 393 HE2 LYS 70 2HE LYS 70 1.684 -12.858 -7.532 394 HE3 LYS 70 1HE LYS 70 2.671 -11.400 -7.638 395 HZ1 LYS 70 3HZ LYS 70 3.588 -12.876 -9.177 396 HZ2 LYS 70 1HZ LYS 70 3.484 -14.200 -8.129 397 HZ3 LYS 70 2HZ LYS 70 4.622 -12.983 -7.844 398 H ILE 71 H ILE 71 1.875 -8.542 -3.717 399 HA ILE 71 HA ILE 71 -0.715 -7.171 -3.715 400 HB ILE 71 HB ILE 71 1.621 -6.228 -2.054 401 HG12 ILE 71 2HG1 ILE 71 -1.003 -7.343 -1.079 402 HG13 ILE 71 1HG1 ILE 71 0.449 -8.322 -1.240 403 HG21 ILE 71 1HG2 ILE 71 -1.224 -5.239 -2.095 404 HG22 ILE 71 2HG2 ILE 71 0.088 -4.494 -3.008 405 HG23 ILE 71 3HG2 ILE 71 0.150 -4.530 -1.246 406 HD11 ILE 71 3HD1 ILE 71 0.122 -7.577 1.052 407 HD12 ILE 71 1HD1 ILE 71 0.150 -5.897 0.516 408 HD13 ILE 71 2HD1 ILE 71 1.596 -6.894 0.364 409 H SER 72 H SER 72 -0.835 -5.353 -4.932 410 HA SER 72 HA SER 72 1.600 -4.369 -6.233 411 HB2 SER 72 2HB SER 72 -0.004 -6.097 -7.556 412 HB3 SER 72 1HB SER 72 -0.799 -4.575 -7.961 413 HG SER 72 HG SER 72 1.039 -3.864 -8.928 414 H TYR 73 H TYR 73 1.709 -2.233 -6.001 415 HA TYR 73 HA TYR 73 -0.806 -0.712 -5.890 416 HB2 TYR 73 2HB TYR 73 -0.091 0.562 -4.067 417 HB3 TYR 73 1HB TYR 73 0.434 -1.057 -3.653 418 HD1 TYR 73 2HD TYR 73 2.908 -1.640 -4.162 419 HD2 TYR 73 1HD TYR 73 1.388 2.331 -4.060 420 HE1 TYR 73 2HE TYR 73 5.190 -0.783 -3.843 421 HE2 TYR 73 1HE TYR 73 3.667 3.202 -3.739 422 HH TYR 73 HH TYR 73 5.824 2.475 -2.969 423 H ASP 74 H ASP 74 -0.715 1.459 -6.637 424 HA ASP 74 HA ASP 74 1.655 2.502 -7.863 425 HB2 ASP 74 2HB ASP 74 0.676 0.706 -9.469 426 HB3 ASP 74 1HB ASP 74 -0.558 1.917 -9.804 427 H ILE 75 H ILE 75 1.141 4.541 -9.126 428 HA ILE 75 HA ILE 75 -1.204 5.888 -7.957 429 HB ILE 75 HB ILE 75 1.414 7.245 -8.579 430 HG12 ILE 75 2HG1 ILE 75 0.419 6.450 -5.831 431 HG13 ILE 75 1HG1 ILE 75 1.562 5.476 -6.751 432 HG21 ILE 75 1HG2 ILE 75 -1.213 8.091 -7.544 433 HG22 ILE 75 2HG2 ILE 75 -0.006 8.989 -8.460 434 HG23 ILE 75 3HG2 ILE 75 0.195 8.767 -6.725 435 HD11 ILE 75 3HD1 ILE 75 1.948 8.067 -5.380 436 HD12 ILE 75 1HD1 ILE 75 2.853 7.789 -6.864 437 HD13 ILE 75 2HD1 ILE 75 3.023 6.675 -5.513 438 H SER 76 H SER 76 -2.349 7.315 -9.244 439 HA SER 76 HA SER 76 -1.447 8.125 -11.828 440 HB2 SER 76 2HB SER 76 -3.795 6.237 -11.884 441 HB3 SER 76 1HB SER 76 -2.839 6.835 -13.232 442 HG SER 76 HG SER 76 -1.071 5.616 -12.378 443 H THR 77 H THR 77 -3.734 8.728 -13.109 444 HA THR 77 HA THR 77 -5.497 10.163 -13.203 445 HB THR 77 HB THR 77 -5.871 9.893 -10.228 446 HG1 THR 77 1HG THR 77 -5.703 7.799 -10.799 447 HG21 THR 77 3HG2 THR 77 -7.344 11.354 -11.784 448 HG22 THR 77 1HG2 THR 77 -8.107 10.292 -10.599 449 HG23 THR 77 2HG2 THR 77 -8.025 9.804 -12.287 450 HA PRO 78 HA PRO 78 -3.165 13.876 -12.239 451 HB2 PRO 78 2HB PRO 78 -5.527 15.198 -13.434 452 HB3 PRO 78 1HB PRO 78 -3.823 15.324 -13.884 453 HG2 PRO 78 2HG PRO 78 -5.553 13.973 -15.405 454 HG3 PRO 78 1HG PRO 78 -3.886 13.413 -15.187 455 HD2 PRO 78 2HD PRO 78 -6.408 12.421 -13.913 456 HD3 PRO 78 1HD PRO 78 -5.010 11.505 -14.516 457 H ILE 79 H ILE 79 -6.335 13.035 -11.180 458 HA ILE 79 HA ILE 79 -6.556 15.369 -9.443 459 HB ILE 79 HB ILE 79 -8.482 13.055 -9.618 460 HG12 ILE 79 2HG1 ILE 79 -8.755 15.666 -11.118 461 HG13 ILE 79 1HG1 ILE 79 -7.993 14.250 -11.838 462 HG21 ILE 79 1HG2 ILE 79 -8.338 15.180 -7.875 463 HG22 ILE 79 2HG2 ILE 79 -9.758 14.183 -8.188 464 HG23 ILE 79 3HG2 ILE 79 -9.533 15.706 -9.065 465 HD11 ILE 79 3HD1 ILE 79 -10.424 13.357 -10.774 466 HD12 ILE 79 1HD1 ILE 79 -9.995 13.571 -12.474 467 HD13 ILE 79 2HD1 ILE 79 -10.766 14.890 -11.591 468 H ASN 80 H ASN 80 -4.441 13.415 -8.983 469 HA ASN 80 HA ASN 80 -3.476 12.214 -7.304 470 HB2 ASN 80 2HB ASN 80 -5.010 14.376 -6.072 471 HB3 ASN 80 1HB ASN 80 -4.716 13.027 -4.974 472 HD21 ASN 80 1HD2 ASN 80 -3.482 14.748 -3.875 473 HD22 ASN 80 2HD2 ASN 80 -1.829 14.971 -4.322 474 H PHE 81 H PHE 81 -4.731 10.366 -8.317 475 HA PHE 81 HA PHE 81 -6.546 9.201 -6.298 476 HB2 PHE 81 2HB PHE 81 -7.276 9.779 -8.842 477 HB3 PHE 81 1HB PHE 81 -6.652 8.148 -9.069 478 HD1 PHE 81 2HD PHE 81 -9.229 10.185 -7.454 479 HD2 PHE 81 1HD PHE 81 -7.776 6.239 -8.127 480 HE1 PHE 81 2HE PHE 81 -11.357 9.260 -6.626 481 HE2 PHE 81 1HE PHE 81 -9.902 5.313 -7.312 482 HZ PHE 81 HZ PHE 81 -11.695 6.822 -6.556 483 H LEU 82 H LEU 82 -5.799 7.452 -5.315 484 HA LEU 82 HA LEU 82 -3.419 6.153 -6.371 485 HB2 LEU 82 2HB LEU 82 -4.226 6.837 -3.820 486 HB3 LEU 82 1HB LEU 82 -4.471 5.102 -3.871 487 HG LEU 82 HG LEU 82 -2.099 4.850 -4.622 488 HD11 LEU 82 1HD1 LEU 82 -0.634 6.851 -4.072 489 HD12 LEU 82 2HD1 LEU 82 -2.112 7.813 -4.129 490 HD13 LEU 82 3HD1 LEU 82 -1.572 6.936 -5.561 491 HD21 LEU 82 3HD2 LEU 82 -1.220 4.952 -2.455 492 HD22 LEU 82 1HD2 LEU 82 -2.953 4.715 -2.220 493 HD23 LEU 82 2HD2 LEU 82 -2.245 6.317 -2.008 494 H CYS 83 H CYS 83 -3.495 4.331 -7.476 495 HA CYS 83 HA CYS 83 -5.927 2.685 -7.316 496 HB2 CYS 83 2HB CYS 83 -5.181 1.784 -9.536 497 HB3 CYS 83 1HB CYS 83 -5.580 3.496 -9.543 498 HG CYS 83 HG CYS 83 -2.881 2.304 -10.206 499 H ILE 84 H ILE 84 -5.531 1.198 -5.761 500 HA ILE 84 HA ILE 84 -2.971 -0.234 -5.839 501 HB ILE 84 HB ILE 84 -5.042 -0.149 -3.642 502 HG12 ILE 84 2HG1 ILE 84 -4.042 1.915 -3.456 503 HG13 ILE 84 1HG1 ILE 84 -2.940 0.946 -2.482 504 HG21 ILE 84 1HG2 ILE 84 -4.075 -1.941 -2.767 505 HG22 ILE 84 2HG2 ILE 84 -2.531 -1.090 -2.726 506 HG23 ILE 84 3HG2 ILE 84 -2.980 -2.034 -4.146 507 HD11 ILE 84 3HD1 ILE 84 -1.762 0.656 -4.830 508 HD12 ILE 84 1HD1 ILE 84 -1.422 2.011 -3.753 509 HD13 ILE 84 2HD1 ILE 84 -2.536 2.215 -5.107 510 H PHE 85 H PHE 85 -2.868 -2.179 -6.654 511 HA PHE 85 HA PHE 85 -5.339 -3.770 -6.817 512 HB2 PHE 85 2HB PHE 85 -3.587 -2.909 -8.901 513 HB3 PHE 85 1HB PHE 85 -3.471 -4.661 -8.772 514 HD1 PHE 85 2HD PHE 85 -5.774 -1.844 -9.347 515 HD2 PHE 85 1HD PHE 85 -5.251 -6.065 -9.454 516 HE1 PHE 85 2HE PHE 85 -7.880 -2.069 -10.599 517 HE2 PHE 85 1HE PHE 85 -7.356 -6.299 -10.707 518 HZ PHE 85 HZ PHE 85 -8.674 -4.299 -11.281 519 H ILE 86 H ILE 86 -4.870 -4.766 -4.835 520 HA ILE 86 HA ILE 86 -2.413 -6.253 -4.499 521 HB ILE 86 HB ILE 86 -3.286 -5.307 -2.509 522 HG12 ILE 86 2HG1 ILE 86 -4.066 -8.221 -2.343 523 HG13 ILE 86 1HG1 ILE 86 -2.392 -7.676 -2.393 524 HG21 ILE 86 1HG2 ILE 86 -5.883 -6.585 -3.302 525 HG22 ILE 86 2HG2 ILE 86 -5.540 -4.884 -2.992 526 HG23 ILE 86 3HG2 ILE 86 -5.570 -6.036 -1.657 527 HD11 ILE 86 3HD1 ILE 86 -4.383 -6.824 -0.307 528 HD12 ILE 86 1HD1 ILE 86 -2.648 -6.512 -0.321 529 HD13 ILE 86 2HD1 ILE 86 -3.245 -8.159 -0.116 530 HA PRO 87 HA PRO 87 -4.434 -9.784 -6.517 531 HB2 PRO 87 2HB PRO 87 -1.849 -10.852 -7.105 532 HB3 PRO 87 1HB PRO 87 -2.963 -10.043 -8.212 533 HG2 PRO 87 2HG PRO 87 -0.513 -9.036 -7.413 534 HG3 PRO 87 1HG PRO 87 -1.844 -8.069 -8.071 535 HD2 PRO 87 2HD PRO 87 -1.017 -8.475 -5.227 536 HD3 PRO 87 1HD PRO 87 -1.607 -7.010 -6.030 537 H THR 88 H THR 88 -5.208 -11.321 -5.175 538 HA THR 88 HA THR 88 -3.315 -13.060 -3.814 539 HB THR 88 HB THR 88 -3.733 -11.296 -2.171 540 HG1 THR 88 1HG THR 88 -5.208 -13.538 -1.310 541 HG21 THR 88 3HG2 THR 88 -5.790 -10.669 -1.353 542 HG22 THR 88 1HG2 THR 88 -6.593 -12.116 -1.963 543 HG23 THR 88 2HG2 THR 88 -6.108 -10.839 -3.080 544 H LEU 89 H LEU 89 -4.543 -14.846 -2.611 545 HA LEU 89 HA LEU 89 -6.874 -15.652 -4.224 546 HB2 LEU 89 2HB LEU 89 -4.710 -17.383 -3.024 547 HB3 LEU 89 1HB LEU 89 -6.139 -17.991 -3.838 548 HG LEU 89 HG LEU 89 -5.373 -16.804 -5.910 549 HD11 LEU 89 1HD1 LEU 89 -3.162 -16.082 -4.073 550 HD12 LEU 89 2HD1 LEU 89 -3.888 -15.165 -5.393 551 HD13 LEU 89 3HD1 LEU 89 -2.749 -16.464 -5.745 552 HD21 LEU 89 3HD2 LEU 89 -3.162 -18.627 -5.184 553 HD22 LEU 89 1HD2 LEU 89 -4.227 -18.634 -6.591 554 HD23 LEU 89 2HD2 LEU 89 -4.800 -19.265 -5.047 555 H PHE 90 H PHE 90 -8.162 -14.569 -2.558 556 HA PHE 90 HA PHE 90 -8.129 -15.304 0.140 557 HB2 PHE 90 2HB PHE 90 -10.240 -14.207 0.347 558 HB3 PHE 90 1HB PHE 90 -9.285 -13.292 -0.812 559 HD1 PHE 90 1HD PHE 90 -9.722 -13.786 -3.311 560 HD2 PHE 90 2HD PHE 90 -12.385 -14.878 -0.178 561 HE1 PHE 90 1HE PHE 90 -11.560 -13.947 -4.937 562 HE2 PHE 90 2HE PHE 90 -14.229 -15.042 -1.798 563 HZ PHE 90 HZ PHE 90 -13.818 -14.576 -4.181 564 H ASP 91 H ASP 91 -7.908 -17.529 0.228 565 HA ASP 91 HA ASP 91 -10.252 -18.995 0.637 566 HB2 ASP 91 2HB ASP 91 -10.416 -18.945 -1.830 567 HB3 ASP 91 1HB ASP 91 -8.830 -19.710 -1.939 568 H MET 92 H MET 92 -6.874 -19.258 -0.399 569 HA MET 92 HA MET 92 -6.461 -21.708 1.055 570 HB2 MET 92 2HB MET 92 -5.218 -20.612 -1.079 571 HB3 MET 92 1HB MET 92 -4.120 -20.107 0.205 572 HG2 MET 92 2HG MET 92 -3.259 -22.141 0.394 573 HG3 MET 92 1HG MET 92 -4.852 -22.892 0.462 574 HE1 MET 92 3HE MET 92 -5.963 -24.182 -1.735 575 HE2 MET 92 1HE MET 92 -5.744 -23.360 -3.279 576 HE3 MET 92 2HE MET 92 -6.331 -22.463 -1.878 577 H ASN 93 H ASN 93 -5.335 -18.347 1.403 578 HA ASN 93 HA ASN 93 -3.890 -18.685 3.765 579 HB2 ASN 93 2HB ASN 93 -3.801 -16.650 2.360 580 HB3 ASN 93 1HB ASN 93 -5.429 -16.232 2.884 581 HD21 ASN 93 1HD2 ASN 93 -5.042 -14.406 3.985 582 HD22 ASN 93 2HD2 ASN 93 -4.026 -14.295 5.378 583 H ASN 94 H ASN 94 -7.314 -18.429 3.212 584 HA ASN 94 HA ASN 94 -9.125 -18.555 4.581 585 HB2 ASN 94 2HB ASN 94 -7.162 -19.902 6.447 586 HB3 ASN 94 1HB ASN 94 -8.917 -19.988 6.561 587 HD21 ASN 94 1HD2 ASN 94 -6.351 -21.709 5.704 588 HD22 ASN 94 2HD2 ASN 94 -7.021 -22.695 4.454 589 H MET 95 H MET 95 -7.175 -16.251 4.853 590 HA MET 95 HA MET 95 -8.477 -15.040 7.123 591 HB2 MET 95 2HB MET 95 -5.635 -15.891 7.210 592 HB3 MET 95 1HB MET 95 -6.000 -14.294 7.849 593 HG2 MET 95 2HG MET 95 -7.255 -16.881 8.737 594 HG3 MET 95 1HG MET 95 -6.009 -15.981 9.597 595 HE1 MET 95 3HE MET 95 -9.047 -17.125 9.655 596 HE2 MET 95 1HE MET 95 -10.310 -15.894 9.675 597 HE3 MET 95 2HE MET 95 -9.473 -16.322 11.167 598 H ASP 96 H ASP 96 -8.197 -14.669 4.193 599 HA ASP 96 HA ASP 96 -6.568 -12.470 3.589 600 HB2 ASP 96 2HB ASP 96 -8.517 -14.043 2.248 601 HB3 ASP 96 1HB ASP 96 -8.967 -12.355 2.026 602 H LEU 97 H LEU 97 -6.660 -10.815 5.050 603 HA LEU 97 HA LEU 97 -9.272 -9.581 5.563 604 HB2 LEU 97 2HB LEU 97 -6.799 -9.880 7.094 605 HB3 LEU 97 1HB LEU 97 -7.445 -8.251 7.139 606 HG LEU 97 HG LEU 97 -8.215 -9.616 9.033 607 HD11 LEU 97 1HD1 LEU 97 -10.746 -9.320 8.503 608 HD12 LEU 97 2HD1 LEU 97 -10.154 -8.543 7.035 609 HD13 LEU 97 3HD1 LEU 97 -9.699 -7.906 8.615 610 HD21 LEU 97 3HD2 LEU 97 -9.878 -11.224 7.135 611 HD22 LEU 97 1HD2 LEU 97 -9.461 -11.559 8.816 612 HD23 LEU 97 2HD2 LEU 97 -8.243 -11.738 7.553 613 H LEU 98 H LEU 98 -9.438 -8.533 3.534 614 HA LEU 98 HA LEU 98 -7.434 -6.688 2.643 615 HB2 LEU 98 2HB LEU 98 -9.075 -6.054 0.943 616 HB3 LEU 98 1HB LEU 98 -8.880 -7.794 1.040 617 HG LEU 98 HG LEU 98 -10.975 -7.712 2.569 618 HD11 LEU 98 1HD1 LEU 98 -10.830 -4.960 1.504 619 HD12 LEU 98 2HD1 LEU 98 -11.529 -5.564 3.006 620 HD13 LEU 98 3HD1 LEU 98 -12.415 -5.734 1.491 621 HD21 LEU 98 3HD2 LEU 98 -10.592 -8.324 -0.026 622 HD22 LEU 98 1HD2 LEU 98 -11.768 -7.018 -0.182 623 HD23 LEU 98 2HD2 LEU 98 -12.152 -8.439 0.788 624 H LYS 99 H LYS 99 -9.995 -6.560 4.892 625 HA LYS 99 HA LYS 99 -10.845 -3.919 4.741 626 HB2 LYS 99 2HB LYS 99 -11.546 -5.963 6.275 627 HB3 LYS 99 1HB LYS 99 -10.471 -5.171 7.419 628 HG2 LYS 99 2HG LYS 99 -12.486 -4.231 7.971 629 HG3 LYS 99 1HG LYS 99 -11.861 -3.047 6.822 630 HD2 LYS 99 2HD LYS 99 -13.644 -3.342 5.528 631 HD3 LYS 99 1HD LYS 99 -13.256 -5.055 5.364 632 HE2 LYS 99 2HE LYS 99 -14.444 -5.481 7.495 633 HE3 LYS 99 1HE LYS 99 -14.902 -3.779 7.546 634 HZ1 LYS 99 3HZ LYS 99 -16.445 -4.052 5.948 635 HZ2 LYS 99 1HZ LYS 99 -16.425 -5.661 6.472 636 HZ3 LYS 99 2HZ LYS 99 -15.549 -5.209 5.099 637 H GLN 100 H GLN 100 -7.800 -5.177 5.739 638 HA GLN 100 HA GLN 100 -7.017 -3.026 7.434 639 HB2 GLN 100 2HB GLN 100 -5.155 -4.799 5.857 640 HB3 GLN 100 1HB GLN 100 -4.832 -3.974 7.375 641 HG2 GLN 100 2HG GLN 100 -7.086 -5.750 7.626 642 HG3 GLN 100 1HG GLN 100 -5.666 -6.604 7.024 643 HE21 GLN 100 1HE2 GLN 100 -5.569 -7.758 8.986 644 HE22 GLN 100 2HE2 GLN 100 -4.935 -7.033 10.420 645 H ALA 101 H ALA 101 -6.335 -3.847 4.055 646 HA ALA 101 HA ALA 101 -4.780 -1.622 3.404 647 HB1 ALA 101 1HB ALA 101 -6.202 -2.260 1.095 648 HB2 ALA 101 2HB ALA 101 -6.128 -3.768 2.011 649 HB3 ALA 101 3HB ALA 101 -4.641 -2.915 1.593 650 H LEU 102 H LEU 102 -8.286 -2.130 3.183 651 HA LEU 102 HA LEU 102 -8.913 0.378 2.059 652 HB2 LEU 102 2HB LEU 102 -10.335 -1.823 2.418 653 HB3 LEU 102 1HB LEU 102 -10.829 -0.999 3.885 654 HG LEU 102 HG LEU 102 -11.029 0.455 1.285 655 HD11 LEU 102 1HD1 LEU 102 -12.846 -0.648 0.522 656 HD12 LEU 102 2HD1 LEU 102 -13.390 -1.098 2.137 657 HD13 LEU 102 3HD1 LEU 102 -12.088 -2.001 1.361 658 HD21 LEU 102 3HD2 LEU 102 -13.230 1.053 2.685 659 HD22 LEU 102 1HD2 LEU 102 -11.697 1.898 2.895 660 HD23 LEU 102 2HD2 LEU 102 -12.155 0.614 4.013 661 H LEU 103 H LEU 103 -8.362 -0.678 5.343 662 HA LEU 103 HA LEU 103 -9.467 1.613 6.619 663 HB2 LEU 103 2HB LEU 103 -8.317 -0.844 7.410 664 HB3 LEU 103 1HB LEU 103 -7.365 0.417 8.170 665 HG LEU 103 HG LEU 103 -10.321 0.635 8.380 666 HD11 LEU 103 1HD1 LEU 103 -10.439 -1.517 9.066 667 HD12 LEU 103 2HD1 LEU 103 -9.847 -0.819 10.574 668 HD13 LEU 103 3HD1 LEU 103 -8.722 -1.601 9.463 669 HD21 LEU 103 3HD2 LEU 103 -8.497 0.937 10.679 670 HD22 LEU 103 1HD2 LEU 103 -9.852 1.940 10.163 671 HD23 LEU 103 2HD2 LEU 103 -8.289 2.089 9.361 672 H ILE 104 H ILE 104 -6.228 0.712 5.542 673 HA ILE 104 HA ILE 104 -4.819 2.861 6.655 674 HB ILE 104 HB ILE 104 -4.202 1.400 4.081 675 HG12 ILE 104 2HG1 ILE 104 -2.786 0.738 6.594 676 HG13 ILE 104 1HG1 ILE 104 -4.474 0.245 6.518 677 HG21 ILE 104 1HG2 ILE 104 -2.986 3.564 4.500 678 HG22 ILE 104 2HG2 ILE 104 -1.961 2.140 4.328 679 HG23 ILE 104 3HG2 ILE 104 -2.286 2.805 5.929 680 HD11 ILE 104 3HD1 ILE 104 -3.986 -1.466 5.204 681 HD12 ILE 104 1HD1 ILE 104 -2.285 -1.119 5.511 682 HD13 ILE 104 2HD1 ILE 104 -3.080 -0.439 4.092 683 H LEU 105 H LEU 105 -6.262 2.512 3.411 684 HA LEU 105 HA LEU 105 -5.552 5.146 2.592 685 HB2 LEU 105 2HB LEU 105 -7.088 4.738 0.701 686 HB3 LEU 105 1HB LEU 105 -5.922 3.446 0.926 687 HG LEU 105 HG LEU 105 -7.941 2.408 2.340 688 HD11 LEU 105 1HD1 LEU 105 -9.187 4.629 1.453 689 HD12 LEU 105 2HD1 LEU 105 -10.013 3.114 1.817 690 HD13 LEU 105 3HD1 LEU 105 -9.578 3.503 0.153 691 HD21 LEU 105 3HD2 LEU 105 -7.604 2.314 -0.654 692 HD22 LEU 105 1HD2 LEU 105 -8.571 1.177 0.286 693 HD23 LEU 105 2HD2 LEU 105 -6.827 1.271 0.538 694 H HIS 106 H HIS 106 -8.595 3.680 3.699 695 HA HIS 106 HA HIS 106 -10.175 5.989 3.522 696 HB2 HIS 106 2HB HIS 106 -10.922 3.568 3.874 697 HB3 HIS 106 1HB HIS 106 -10.572 3.823 5.581 698 HD1 HIS 106 1HD HIS 106 -11.941 5.963 6.647 699 HD2 HIS 106 2HD HIS 106 -13.439 4.262 3.165 700 HE1 HIS 106 1HE HIS 106 -14.336 6.708 6.508 701 HE2 HIS 106 2HE HIS 106 -15.247 5.584 4.443 702 H ASN 107 H ASN 107 -8.505 4.597 6.350 703 HA ASN 107 HA ASN 107 -9.221 6.561 8.188 704 HB2 ASN 107 2HB ASN 107 -8.121 4.342 8.689 705 HB3 ASN 107 1HB ASN 107 -6.597 5.063 8.182 706 HD21 ASN 107 1HD2 ASN 107 -5.413 5.968 9.698 707 HD22 ASN 107 2HD2 ASN 107 -5.972 6.506 11.243 708 H ASP 108 H ASP 108 -6.536 6.440 5.900 709 HA ASP 108 HA ASP 108 -5.096 8.649 6.847 710 HB2 ASP 108 2HB ASP 108 -5.111 6.979 4.483 711 HB3 ASP 108 1HB ASP 108 -4.799 8.658 4.059 712 H LEU 109 H LEU 109 -7.831 8.452 4.623 713 HA LEU 109 HA LEU 109 -7.783 11.285 4.066 714 HB2 LEU 109 2HB LEU 109 -8.584 9.430 2.498 715 HB3 LEU 109 1HB LEU 109 -10.039 9.382 3.478 716 HG LEU 109 HG LEU 109 -9.071 11.877 2.088 717 HD11 LEU 109 1HD1 LEU 109 -9.665 9.884 0.588 718 HD12 LEU 109 2HD1 LEU 109 -10.456 11.421 0.271 719 HD13 LEU 109 3HD1 LEU 109 -11.321 10.147 1.130 720 HD21 LEU 109 3HD2 LEU 109 -10.562 12.734 3.544 721 HD22 LEU 109 1HD2 LEU 109 -11.337 11.174 3.827 722 HD23 LEU 109 2HD2 LEU 109 -11.745 12.111 2.390 723 H HIS 110 H HIS 110 -9.537 9.101 6.179 724 HA HIS 110 HA HIS 110 -11.419 11.125 7.006 725 HB2 HIS 110 2HB HIS 110 -11.408 8.364 7.051 726 HB3 HIS 110 1HB HIS 110 -11.196 8.792 8.748 727 HD1 HIS 110 1HD HIS 110 -13.716 8.559 6.103 728 HD2 HIS 110 2HD HIS 110 -13.344 10.426 9.794 729 HE1 HIS 110 1HE HIS 110 -16.052 9.221 6.762 730 HE2 HIS 110 2HE HIS 110 -15.790 10.438 8.953 731 H GLU 111 H GLU 111 -8.251 10.231 7.913 732 HA GLU 111 HA GLU 111 -8.452 11.085 10.654 733 HB2 GLU 111 2HB GLU 111 -6.282 10.087 8.870 734 HB3 GLU 111 1HB GLU 111 -5.815 11.045 10.277 735 HG2 GLU 111 2HG GLU 111 -7.681 8.731 10.576 736 HG3 GLU 111 1HG GLU 111 -5.937 8.468 10.461 737 H TYR 112 H TYR 112 -6.478 12.315 7.941 738 HA TYR 112 HA TYR 112 -7.294 15.018 8.381 739 HB2 TYR 112 2HB TYR 112 -4.463 15.192 8.751 740 HB3 TYR 112 1HB TYR 112 -5.749 15.748 9.823 741 HD1 TYR 112 1HD TYR 112 -3.485 12.928 9.052 742 HD2 TYR 112 2HD TYR 112 -6.302 14.542 11.808 743 HE1 TYR 112 1HE TYR 112 -2.815 11.242 10.712 744 HE2 TYR 112 2HE TYR 112 -5.639 12.861 13.476 745 HH TYR 112 HH TYR 112 -2.865 11.054 13.265 746 H VAL 113 H VAL 113 -4.261 13.462 7.319 747 HA VAL 113 HA VAL 113 -3.037 13.745 5.412 748 HB VAL 113 HB VAL 113 -4.667 12.038 4.737 749 HG11 VAL 113 1HG1 VAL 113 -6.563 12.785 3.243 750 HG12 VAL 113 2HG1 VAL 113 -6.288 14.416 3.862 751 HG13 VAL 113 3HG1 VAL 113 -6.752 13.118 4.964 752 HG21 VAL 113 3HG2 VAL 113 -3.934 11.991 2.599 753 HG22 VAL 113 1HG2 VAL 113 -2.953 13.355 3.146 754 HG23 VAL 113 2HG2 VAL 113 -4.457 13.649 2.274 755 H GLU 114 H GLU 114 -3.590 16.216 6.460 756 HA GLU 114 HA GLU 114 -3.865 17.826 4.019 757 HB2 GLU 114 2HB GLU 114 -5.925 17.829 5.612 758 HB3 GLU 114 1HB GLU 114 -4.920 18.830 6.650 759 HG2 GLU 114 2HG GLU 114 -4.749 20.522 4.980 760 HG3 GLU 114 1HG GLU 114 -5.518 19.482 3.775 Start of MODEL 16 1 H THR 26 H THR 26 -13.701 -14.032 -6.508 2 HA THR 26 HA THR 26 -11.728 -12.747 -5.003 3 HB THR 26 HB THR 26 -11.242 -14.905 -4.058 4 HG1 THR 26 1HG THR 26 -12.578 -15.975 -6.317 5 HG21 THR 26 3HG2 THR 26 -13.998 -14.126 -4.512 6 HG22 THR 26 1HG2 THR 26 -13.205 -14.700 -3.046 7 HG23 THR 26 2HG2 THR 26 -13.810 -15.857 -4.231 8 H SER 27 H SER 27 -9.444 -13.734 -4.786 9 HA SER 27 HA SER 27 -7.412 -14.356 -5.673 10 HB2 SER 27 2HB SER 27 -8.479 -14.222 -8.479 11 HB3 SER 27 1HB SER 27 -7.148 -15.189 -7.844 12 H LYS 28 H LYS 28 -9.340 -11.762 -6.964 13 HA LYS 28 HA LYS 28 -6.893 -10.155 -7.191 14 HB2 LYS 28 2HB LYS 28 -9.171 -10.355 -9.144 15 HB3 LYS 28 1HB LYS 28 -8.159 -8.918 -9.069 16 HG2 LYS 28 2HG LYS 28 -6.279 -10.043 -9.822 17 HG3 LYS 28 1HG LYS 28 -6.925 -11.624 -9.375 18 HD2 LYS 28 2HD LYS 28 -8.739 -11.130 -11.135 19 HD3 LYS 28 1HD LYS 28 -7.623 -9.894 -11.719 20 HE2 LYS 28 2HE LYS 28 -5.870 -11.722 -11.812 21 HE3 LYS 28 1HE LYS 28 -7.187 -12.866 -11.559 22 HZ1 LYS 28 3HZ LYS 28 -6.550 -12.465 -13.927 23 HZ2 LYS 28 1HZ LYS 28 -7.159 -10.893 -13.771 24 HZ3 LYS 28 2HZ LYS 28 -8.188 -12.223 -13.581 25 H GLN 29 H GLN 29 -6.962 -8.604 -5.720 26 HA GLN 29 HA GLN 29 -9.546 -7.301 -5.169 27 HB2 GLN 29 2HB GLN 29 -8.419 -8.851 -3.348 28 HB3 GLN 29 1HB GLN 29 -7.425 -7.421 -3.066 29 HG2 GLN 29 2HG GLN 29 -9.145 -7.191 -1.538 30 HG3 GLN 29 1HG GLN 29 -9.656 -6.164 -2.877 31 HE21 GLN 29 1HE2 GLN 29 -10.023 -9.412 -1.534 32 HE22 GLN 29 2HE2 GLN 29 -11.649 -9.642 -2.070 33 H GLU 30 H GLU 30 -9.570 -5.111 -5.142 34 HA GLU 30 HA GLU 30 -7.001 -3.698 -5.274 35 HB2 GLU 30 2HB GLU 30 -7.727 -3.989 -7.590 36 HB3 GLU 30 1HB GLU 30 -9.285 -3.263 -7.215 37 HG2 GLU 30 2HG GLU 30 -7.612 -1.310 -6.390 38 HG3 GLU 30 1HG GLU 30 -6.681 -2.008 -7.714 39 H LEU 31 H LEU 31 -6.917 -2.012 -3.951 40 HA LEU 31 HA LEU 31 -9.394 -1.095 -2.699 41 HB2 LEU 31 2HB LEU 31 -6.488 -0.722 -1.991 42 HB3 LEU 31 1HB LEU 31 -7.783 0.116 -1.158 43 HG LEU 31 HG LEU 31 -8.401 -2.670 -1.183 44 HD11 LEU 31 1HD1 LEU 31 -6.553 -3.677 -0.134 45 HD12 LEU 31 2HD1 LEU 31 -5.728 -2.133 0.078 46 HD13 LEU 31 3HD1 LEU 31 -5.894 -2.829 -1.534 47 HD21 LEU 31 3HD2 LEU 31 -7.646 -0.699 0.963 48 HD22 LEU 31 1HD2 LEU 31 -8.197 -2.341 1.295 49 HD23 LEU 31 2HD2 LEU 31 -9.265 -1.201 0.475 50 H ILE 32 H ILE 32 -10.230 0.892 -2.995 51 HA ILE 32 HA ILE 32 -9.052 2.545 -5.069 52 HB ILE 32 HB ILE 32 -11.149 3.919 -4.764 53 HG12 ILE 32 2HG1 ILE 32 -12.454 1.661 -3.378 54 HG13 ILE 32 1HG1 ILE 32 -11.377 2.631 -2.380 55 HG21 ILE 32 1HG2 ILE 32 -12.195 2.637 -6.300 56 HG22 ILE 32 2HG2 ILE 32 -12.082 1.177 -5.319 57 HG23 ILE 32 3HG2 ILE 32 -10.686 1.726 -6.247 58 HD11 ILE 32 3HD1 ILE 32 -12.823 4.317 -2.286 59 HD12 ILE 32 1HD1 ILE 32 -14.005 3.161 -2.898 60 HD13 ILE 32 2HD1 ILE 32 -13.164 4.236 -4.014 61 H LEU 33 H LEU 33 -7.313 3.614 -4.215 62 HA LEU 33 HA LEU 33 -7.841 5.371 -1.910 63 HB2 LEU 33 2HB LEU 33 -5.978 3.555 -1.858 64 HB3 LEU 33 1HB LEU 33 -5.087 4.678 -2.874 65 HG LEU 33 HG LEU 33 -6.239 5.741 -0.348 66 HD11 LEU 33 1HD1 LEU 33 -5.050 3.413 -0.027 67 HD12 LEU 33 2HD1 LEU 33 -4.764 4.750 1.086 68 HD13 LEU 33 3HD1 LEU 33 -3.594 4.393 -0.185 69 HD21 LEU 33 3HD2 LEU 33 -4.760 7.388 -0.670 70 HD22 LEU 33 1HD2 LEU 33 -4.619 6.745 -2.306 71 HD23 LEU 33 2HD2 LEU 33 -3.457 6.269 -1.069 72 H VAL 34 H VAL 34 -6.765 7.494 -1.968 73 HA VAL 34 HA VAL 34 -6.085 8.470 -4.628 74 HB VAL 34 HB VAL 34 -8.206 9.802 -2.941 75 HG11 VAL 34 1HG1 VAL 34 -8.397 11.413 -4.636 76 HG12 VAL 34 2HG1 VAL 34 -7.444 10.460 -5.771 77 HG13 VAL 34 3HG1 VAL 34 -6.660 11.225 -4.387 78 HG21 VAL 34 3HG2 VAL 34 -9.783 9.137 -4.667 79 HG22 VAL 34 1HG2 VAL 34 -9.014 7.720 -3.958 80 HG23 VAL 34 2HG2 VAL 34 -8.495 8.298 -5.542 81 H LEU 35 H LEU 35 -4.294 9.529 -4.475 82 HA LEU 35 HA LEU 35 -3.221 10.440 -1.995 83 HB2 LEU 35 2HB LEU 35 -2.212 9.718 -4.459 84 HB3 LEU 35 1HB LEU 35 -1.962 11.463 -4.432 85 HG LEU 35 HG LEU 35 -1.115 10.048 -1.988 86 HD11 LEU 35 1HD1 LEU 35 0.536 8.758 -2.817 87 HD12 LEU 35 2HD1 LEU 35 0.840 9.840 -4.178 88 HD13 LEU 35 3HD1 LEU 35 -0.506 8.703 -4.238 89 HD21 LEU 35 3HD2 LEU 35 0.287 11.796 -1.801 90 HD22 LEU 35 1HD2 LEU 35 -0.777 12.536 -2.997 91 HD23 LEU 35 2HD2 LEU 35 0.721 11.762 -3.509 92 H LYS 36 H LYS 36 -2.358 12.689 -1.754 93 HA LYS 36 HA LYS 36 -4.478 14.573 -2.392 94 HB2 LYS 36 2HB LYS 36 -2.893 14.152 -0.137 95 HB3 LYS 36 1HB LYS 36 -2.289 15.649 -0.824 96 HG2 LYS 36 2HG LYS 36 -3.915 16.533 0.462 97 HG3 LYS 36 1HG LYS 36 -4.905 16.168 -0.951 98 HD2 LYS 36 2HD LYS 36 -4.574 14.416 1.491 99 HD3 LYS 36 1HD LYS 36 -5.984 15.406 1.103 100 HE2 LYS 36 2HE LYS 36 -4.925 13.163 -0.621 101 HE3 LYS 36 1HE LYS 36 -6.246 12.999 0.536 102 HZ1 LYS 36 3HZ LYS 36 -6.607 15.185 -1.295 103 HZ2 LYS 36 1HZ LYS 36 -7.675 13.945 -0.867 104 HZ3 LYS 36 2HZ LYS 36 -6.521 13.681 -2.068 105 H GLY 37 H GLY 37 -3.746 16.885 -2.850 106 HA2 GLY 37 2HA GLY 37 -2.108 16.796 -5.233 107 HA3 GLY 37 1HA GLY 37 -2.973 18.195 -4.602 108 H GLU 38 H GLU 38 -2.011 19.245 -2.668 109 HA GLU 38 HA GLU 38 0.802 19.638 -3.105 110 HB2 GLU 38 2HB GLU 38 -1.333 20.965 -1.562 111 HB3 GLU 38 1HB GLU 38 0.287 21.108 -0.895 112 HG2 GLU 38 2HG GLU 38 0.817 22.664 -2.372 113 HG3 GLU 38 1HG GLU 38 0.343 21.622 -3.710 114 H LEU 39 H LEU 39 -0.781 19.334 0.053 115 HA LEU 39 HA LEU 39 -0.187 18.229 1.953 116 HB2 LEU 39 2HB LEU 39 -0.422 16.345 0.020 117 HB3 LEU 39 1HB LEU 39 1.236 16.079 0.515 118 HG LEU 39 HG LEU 39 0.088 16.120 2.936 119 HD11 LEU 39 1HD1 LEU 39 -2.135 16.310 1.401 120 HD12 LEU 39 2HD1 LEU 39 -2.095 15.610 3.017 121 HD13 LEU 39 3HD1 LEU 39 -2.011 14.567 1.598 122 HD21 LEU 39 3HD2 LEU 39 1.442 14.318 2.368 123 HD22 LEU 39 1HD2 LEU 39 0.439 13.877 0.983 124 HD23 LEU 39 2HD2 LEU 39 -0.145 13.582 2.620 125 H ASP 40 H ASP 40 1.967 16.719 2.704 126 HA ASP 40 HA ASP 40 4.027 18.718 2.874 127 HB2 ASP 40 2HB ASP 40 5.170 17.021 4.317 128 HB3 ASP 40 1HB ASP 40 3.540 17.419 4.850 129 H LEU 41 H LEU 41 6.390 17.790 2.736 130 HA LEU 41 HA LEU 41 6.905 17.306 0.008 131 HB2 LEU 41 2HB LEU 41 8.381 18.080 2.229 132 HB3 LEU 41 1HB LEU 41 9.085 16.540 1.776 133 HG LEU 41 HG LEU 41 8.995 17.730 -0.644 134 HD11 LEU 41 1HD1 LEU 41 8.949 19.881 1.401 135 HD12 LEU 41 2HD1 LEU 41 8.290 19.861 -0.234 136 HD13 LEU 41 3HD1 LEU 41 10.017 20.077 0.012 137 HD21 LEU 41 3HD2 LEU 41 10.981 16.731 0.082 138 HD22 LEU 41 1HD2 LEU 41 11.097 17.777 1.497 139 HD23 LEU 41 2HD2 LEU 41 11.402 18.437 -0.113 140 H HIS 42 H HIS 42 7.554 15.483 -1.093 141 HA HIS 42 HA HIS 42 7.691 13.283 -1.632 142 HB2 HIS 42 2HB HIS 42 8.666 13.391 1.149 143 HB3 HIS 42 1HB HIS 42 8.103 11.806 0.624 144 HD1 HIS 42 1HD HIS 42 9.487 10.590 -1.172 145 HD2 HIS 42 2HD HIS 42 10.992 14.320 -0.120 146 HE1 HIS 42 1HE HIS 42 11.797 10.691 -2.166 147 HE2 HIS 42 2HE HIS 42 12.651 12.989 -1.591 148 H SER 43 H SER 43 6.110 11.907 -2.126 149 HA SER 43 HA SER 43 3.544 12.140 -0.989 150 HB2 SER 43 2HB SER 43 4.586 9.843 -2.662 151 HB3 SER 43 1HB SER 43 2.899 10.318 -2.453 152 HG SER 43 HG SER 43 4.563 11.152 -4.295 153 H LYS 44 H LYS 44 3.202 11.610 1.085 154 HA LYS 44 HA LYS 44 4.552 9.465 2.402 155 HB2 LYS 44 2HB LYS 44 3.371 11.694 3.303 156 HB3 LYS 44 1HB LYS 44 2.043 10.572 3.542 157 HG2 LYS 44 2HG LYS 44 2.968 9.818 5.403 158 HG3 LYS 44 1HG LYS 44 4.438 9.380 4.524 159 HD2 LYS 44 2HD LYS 44 3.835 12.134 5.600 160 HD3 LYS 44 1HD LYS 44 4.863 10.941 6.396 161 HE2 LYS 44 2HE LYS 44 6.206 10.913 4.224 162 HE3 LYS 44 1HE LYS 44 5.317 12.371 3.796 163 HZ1 LYS 44 3HZ LYS 44 6.136 13.044 6.209 164 HZ2 LYS 44 1HZ LYS 44 7.080 13.321 4.826 165 HZ3 LYS 44 2HZ LYS 44 7.385 11.975 5.811 166 H ASN 45 H ASN 45 1.618 9.755 0.594 167 HA ASN 45 HA ASN 45 0.103 7.674 1.617 168 HB2 ASN 45 2HB ASN 45 0.233 9.171 -0.905 169 HB3 ASN 45 1HB ASN 45 -0.428 7.548 -1.071 170 HD21 ASN 45 1HD2 ASN 45 -2.135 6.979 0.539 171 HD22 ASN 45 2HD2 ASN 45 -3.284 8.204 0.941 172 H MET 46 H MET 46 2.435 7.555 -1.084 173 HA MET 46 HA MET 46 2.272 4.838 -1.619 174 HB2 MET 46 2HB MET 46 4.625 5.078 -2.489 175 HB3 MET 46 1HB MET 46 3.462 6.236 -3.136 176 HG2 MET 46 2HG MET 46 4.356 7.997 -1.927 177 HG3 MET 46 1HG MET 46 5.165 6.929 -0.780 178 HE1 MET 46 3HE MET 46 6.604 9.292 -1.742 179 HE2 MET 46 1HE MET 46 8.101 8.832 -2.557 180 HE3 MET 46 2HE MET 46 7.676 8.099 -1.007 181 H LYS 47 H LYS 47 4.077 6.543 0.858 182 HA LYS 47 HA LYS 47 5.593 4.279 1.716 183 HB2 LYS 47 2HB LYS 47 5.927 6.873 2.122 184 HB3 LYS 47 1HB LYS 47 4.977 6.548 3.560 185 HG2 LYS 47 2HG LYS 47 6.613 4.812 4.205 186 HG3 LYS 47 1HG LYS 47 7.589 5.259 2.807 187 HD2 LYS 47 2HD LYS 47 8.609 6.610 4.313 188 HD3 LYS 47 1HD LYS 47 7.261 7.681 3.928 189 HE2 LYS 47 2HE LYS 47 6.928 7.700 6.147 190 HE3 LYS 47 1HE LYS 47 6.166 6.132 5.873 191 HZ1 LYS 47 3HZ LYS 47 8.949 6.643 6.756 192 HZ2 LYS 47 1HZ LYS 47 8.388 5.123 6.286 193 HZ3 LYS 47 2HZ LYS 47 7.715 5.891 7.635 194 H ASN 48 H ASN 48 2.405 5.463 2.338 195 HA ASN 48 HA ASN 48 1.997 4.094 4.808 196 HB2 ASN 48 2HB ASN 48 0.628 6.031 3.422 197 HB3 ASN 48 1HB ASN 48 -0.396 4.618 3.185 198 HD21 ASN 48 1HD2 ASN 48 0.100 3.318 5.609 199 HD22 ASN 48 2HD2 ASN 48 -0.605 4.250 6.881 200 H VAL 49 H VAL 49 1.462 3.328 1.413 201 HA VAL 49 HA VAL 49 0.014 0.917 1.908 202 HB VAL 49 HB VAL 49 1.539 1.586 -0.602 203 HG11 VAL 49 1HG1 VAL 49 0.698 -0.722 -0.362 204 HG12 VAL 49 2HG1 VAL 49 -0.081 0.152 -1.677 205 HG13 VAL 49 3HG1 VAL 49 -0.932 -0.085 -0.154 206 HG21 VAL 49 3HG2 VAL 49 -1.248 2.421 0.197 207 HG22 VAL 49 1HG2 VAL 49 -0.565 2.592 -1.419 208 HG23 VAL 49 2HG2 VAL 49 0.134 3.484 -0.068 209 H ILE 50 H ILE 50 3.375 1.597 0.936 210 HA ILE 50 HA ILE 50 4.256 -1.048 0.830 211 HB ILE 50 HB ILE 50 5.565 0.843 -0.039 212 HG12 ILE 50 2HG1 ILE 50 7.704 0.017 1.576 213 HG13 ILE 50 1HG1 ILE 50 6.587 -1.343 1.566 214 HG21 ILE 50 1HG2 ILE 50 6.520 1.473 2.719 215 HG22 ILE 50 2HG2 ILE 50 5.042 2.216 2.107 216 HG23 ILE 50 3HG2 ILE 50 6.565 2.457 1.259 217 HD11 ILE 50 3HD1 ILE 50 6.765 -1.627 -0.729 218 HD12 ILE 50 1HD1 ILE 50 8.409 -1.236 -0.227 219 HD13 ILE 50 2HD1 ILE 50 7.400 -0.001 -0.979 220 H ASN 51 H ASN 51 3.650 1.039 3.543 221 HA ASN 51 HA ASN 51 5.138 -0.515 5.443 222 HB2 ASN 51 2HB ASN 51 3.983 2.012 5.440 223 HB3 ASN 51 1HB ASN 51 2.987 1.102 6.570 224 HD21 ASN 51 1HD2 ASN 51 5.382 3.167 6.542 225 HD22 ASN 51 2HD2 ASN 51 6.335 2.614 7.872 226 H ASN 52 H ASN 52 1.714 -0.196 4.569 227 HA ASN 52 HA ASN 52 0.852 -2.168 6.462 228 HB2 ASN 52 2HB ASN 52 -0.504 -0.747 4.175 229 HB3 ASN 52 1HB ASN 52 -1.314 -2.011 5.094 230 HD21 ASN 52 1HD2 ASN 52 -2.754 -0.070 5.406 231 HD22 ASN 52 2HD2 ASN 52 -2.443 0.910 6.793 232 H ALA 53 H ALA 53 1.245 -2.096 2.933 233 HA ALA 53 HA ALA 53 0.430 -4.712 2.400 234 HB1 ALA 53 1HB ALA 53 1.351 -4.441 0.265 235 HB2 ALA 53 2HB ALA 53 2.595 -3.334 0.845 236 HB3 ALA 53 3HB ALA 53 0.914 -2.806 0.763 237 H LYS 54 H LYS 54 3.428 -3.469 3.665 238 HA LYS 54 HA LYS 54 4.902 -5.905 3.215 239 HB2 LYS 54 2HB LYS 54 6.029 -3.710 3.264 240 HB3 LYS 54 1HB LYS 54 5.574 -3.522 4.952 241 HG2 LYS 54 2HG LYS 54 7.492 -4.482 5.498 242 HG3 LYS 54 1HG LYS 54 6.866 -5.988 4.824 243 HD2 LYS 54 2HD LYS 54 8.968 -5.576 3.786 244 HD3 LYS 54 1HD LYS 54 7.722 -5.222 2.588 245 HE2 LYS 54 2HE LYS 54 7.952 -2.789 3.592 246 HE3 LYS 54 1HE LYS 54 9.553 -3.379 4.037 247 HZ1 LYS 54 3HZ LYS 54 9.002 -2.275 1.687 248 HZ2 LYS 54 1HZ LYS 54 8.718 -3.899 1.303 249 HZ3 LYS 54 2HZ LYS 54 10.225 -3.423 1.902 250 H LYS 55 H LYS 55 3.393 -4.284 5.984 251 HA LYS 55 HA LYS 55 4.164 -6.126 7.953 252 HB2 LYS 55 2HB LYS 55 3.066 -3.812 8.222 253 HB3 LYS 55 1HB LYS 55 1.539 -4.653 7.995 254 HG2 LYS 55 2HG LYS 55 3.113 -6.024 9.957 255 HG3 LYS 55 1HG LYS 55 2.988 -4.313 10.372 256 HD2 LYS 55 2HD LYS 55 0.486 -4.565 9.932 257 HD3 LYS 55 1HD LYS 55 0.774 -6.305 9.953 258 HE2 LYS 55 2HE LYS 55 0.878 -6.344 12.178 259 HE3 LYS 55 1HE LYS 55 2.008 -4.992 12.218 260 HZ1 LYS 55 3HZ LYS 55 -0.946 -4.777 11.988 261 HZ2 LYS 55 1HZ LYS 55 0.134 -3.474 12.011 262 HZ3 LYS 55 2HZ LYS 55 -0.035 -4.457 13.377 263 H ASN 56 H ASN 56 1.421 -6.062 5.744 264 HA ASN 56 HA ASN 56 0.082 -8.301 6.879 265 HB2 ASN 56 2HB ASN 56 -0.114 -7.070 4.120 266 HB3 ASN 56 1HB ASN 56 -1.209 -8.305 4.749 267 HD21 ASN 56 1HD2 ASN 56 -1.404 -5.353 3.951 268 HD22 ASN 56 2HD2 ASN 56 -2.289 -4.645 5.255 269 H LEU 57 H LEU 57 2.215 -7.899 4.068 270 HA LEU 57 HA LEU 57 2.208 -10.453 3.052 271 HB2 LEU 57 2HB LEU 57 4.366 -8.378 3.242 272 HB3 LEU 57 1HB LEU 57 4.691 -9.943 2.508 273 HG LEU 57 HG LEU 57 2.359 -8.350 1.535 274 HD11 LEU 57 1HD1 LEU 57 3.554 -6.760 0.516 275 HD12 LEU 57 2HD1 LEU 57 4.839 -7.882 0.069 276 HD13 LEU 57 3HD1 LEU 57 4.819 -7.160 1.678 277 HD21 LEU 57 3HD2 LEU 57 4.337 -10.097 0.082 278 HD22 LEU 57 1HD2 LEU 57 2.786 -9.503 -0.512 279 HD23 LEU 57 2HD2 LEU 57 2.835 -10.690 0.792 280 H GLU 58 H GLU 58 4.572 -9.203 5.406 281 HA GLU 58 HA GLU 58 5.777 -11.666 5.965 282 HB2 GLU 58 2HB GLU 58 5.623 -9.040 7.387 283 HB3 GLU 58 1HB GLU 58 6.300 -10.425 8.232 284 HG2 GLU 58 2HG GLU 58 8.129 -10.549 6.857 285 HG3 GLU 58 1HG GLU 58 7.302 -9.770 5.509 286 H LYS 59 H LYS 59 2.853 -10.207 7.181 287 HA LYS 59 HA LYS 59 2.478 -11.669 9.521 288 HB2 LYS 59 2HB LYS 59 0.942 -9.918 7.904 289 HB3 LYS 59 1HB LYS 59 -0.038 -11.351 8.182 290 HG2 LYS 59 2HG LYS 59 1.344 -10.129 10.509 291 HG3 LYS 59 1HG LYS 59 -0.065 -9.303 9.839 292 HD2 LYS 59 2HD LYS 59 -1.497 -10.876 10.585 293 HD3 LYS 59 1HD LYS 59 -0.388 -12.200 10.222 294 HE2 LYS 59 2HE LYS 59 0.913 -11.637 12.229 295 HE3 LYS 59 1HE LYS 59 -0.230 -10.346 12.596 296 HZ1 LYS 59 3HZ LYS 59 -1.920 -11.879 13.038 297 HZ2 LYS 59 1HZ LYS 59 -0.553 -12.543 13.781 298 HZ3 LYS 59 2HZ LYS 59 -1.095 -13.159 12.302 299 H TYR 60 H TYR 60 1.870 -12.520 6.166 300 HA TYR 60 HA TYR 60 0.612 -15.031 6.834 301 HB2 TYR 60 2HB TYR 60 1.698 -14.338 4.116 302 HB3 TYR 60 1HB TYR 60 0.313 -15.351 4.530 303 HD1 TYR 60 2HD TYR 60 -1.707 -14.136 5.628 304 HD2 TYR 60 1HD TYR 60 1.363 -12.144 3.461 305 HE1 TYR 60 2HE TYR 60 -3.212 -12.225 5.269 306 HE2 TYR 60 1HE TYR 60 -0.134 -10.225 3.094 307 HH TYR 60 HH TYR 60 -3.111 -9.873 4.754 308 H PHE 61 H PHE 61 3.784 -13.875 5.927 309 HA PHE 61 HA PHE 61 4.940 -16.402 5.365 310 HB2 PHE 61 2HB PHE 61 5.799 -14.016 4.791 311 HB3 PHE 61 1HB PHE 61 6.520 -14.065 6.402 312 HD1 PHE 61 1HD PHE 61 8.057 -16.046 6.931 313 HD2 PHE 61 2HD PHE 61 6.906 -14.949 2.984 314 HE1 PHE 61 1HE PHE 61 9.991 -17.273 6.031 315 HE2 PHE 61 2HE PHE 61 8.837 -16.174 2.076 316 HZ PHE 61 HZ PHE 61 10.382 -17.339 3.600 317 H LYS 62 H LYS 62 4.375 -14.615 8.301 318 HA LYS 62 HA LYS 62 6.102 -16.350 9.861 319 HB2 LYS 62 2HB LYS 62 4.884 -13.755 10.214 320 HB3 LYS 62 1HB LYS 62 4.548 -14.784 11.601 321 HG2 LYS 62 2HG LYS 62 6.686 -14.775 12.297 322 HG3 LYS 62 1HG LYS 62 7.333 -14.809 10.655 323 HD2 LYS 62 2HD LYS 62 6.037 -12.365 11.836 324 HD3 LYS 62 1HD LYS 62 7.761 -12.700 12.003 325 HE2 LYS 62 2HE LYS 62 7.454 -13.047 9.345 326 HE3 LYS 62 1HE LYS 62 6.210 -11.835 9.649 327 HZ1 LYS 62 3HZ LYS 62 9.107 -11.606 9.817 328 HZ2 LYS 62 1HZ LYS 62 8.221 -10.771 10.993 329 HZ3 LYS 62 2HZ LYS 62 7.955 -10.458 9.354 330 H GLU 63 H GLU 63 2.737 -16.033 9.063 331 HA GLU 63 HA GLU 63 1.971 -17.933 11.144 332 HB2 GLU 63 2HB GLU 63 0.697 -15.725 10.077 333 HB3 GLU 63 1HB GLU 63 -0.139 -17.078 9.315 334 HG2 GLU 63 2HG GLU 63 -1.390 -16.762 11.208 335 HG3 GLU 63 1HG GLU 63 -0.267 -18.015 11.734 336 H HIS 64 H HIS 64 1.719 -17.593 7.602 337 HA HIS 64 HA HIS 64 1.425 -20.518 7.468 338 HB2 HIS 64 2HB HIS 64 -0.408 -18.666 6.598 339 HB3 HIS 64 1HB HIS 64 0.475 -19.044 5.122 340 HD1 HIS 64 1HD HIS 64 0.938 -22.062 5.589 341 HD2 HIS 64 2HD HIS 64 -2.682 -20.118 6.209 342 HE1 HIS 64 1HE HIS 64 -0.823 -23.849 5.417 343 HE2 HIS 64 2HE HIS 64 -3.011 -22.635 5.711 344 H PHE 65 H PHE 65 3.715 -18.385 7.123 345 HA PHE 65 HA PHE 65 5.601 -18.139 5.859 346 HB2 PHE 65 2HB PHE 65 5.111 -20.925 6.278 347 HB3 PHE 65 1HB PHE 65 5.854 -20.711 4.690 348 HD1 PHE 65 1HD PHE 65 8.084 -19.711 4.497 349 HD2 PHE 65 2HD PHE 65 6.320 -20.508 8.287 350 HE1 PHE 65 1HE PHE 65 10.288 -19.482 5.566 351 HE2 PHE 65 2HE PHE 65 8.521 -20.280 9.363 352 HZ PHE 65 HZ PHE 65 10.507 -19.767 8.003 353 H LYS 66 H LYS 66 6.581 -18.830 3.552 354 HA LYS 66 HA LYS 66 5.031 -17.478 1.648 355 HB2 LYS 66 2HB LYS 66 7.644 -18.551 1.807 356 HB3 LYS 66 1HB LYS 66 6.912 -19.224 0.357 357 HG2 LYS 66 2HG LYS 66 6.448 -17.022 -0.492 358 HG3 LYS 66 1HG LYS 66 7.009 -16.286 1.011 359 HD2 LYS 66 2HD LYS 66 8.989 -16.104 -0.020 360 HD3 LYS 66 1HD LYS 66 9.149 -17.837 0.269 361 HE2 LYS 66 2HE LYS 66 9.448 -17.921 -1.962 362 HE3 LYS 66 1HE LYS 66 7.687 -17.852 -2.001 363 HZ1 LYS 66 3HZ LYS 66 8.785 -16.248 -3.504 364 HZ2 LYS 66 1HZ LYS 66 9.450 -15.469 -2.156 365 HZ3 LYS 66 2HZ LYS 66 7.773 -15.507 -2.369 366 H GLU 67 H GLU 67 3.358 -18.114 0.467 367 HA GLU 67 HA GLU 67 3.180 -20.688 -0.731 368 HB2 GLU 67 2HB GLU 67 2.420 -20.827 1.835 369 HB3 GLU 67 1HB GLU 67 0.901 -20.288 1.132 370 HG2 GLU 67 2HG GLU 67 1.047 -22.203 -0.459 371 HG3 GLU 67 1HG GLU 67 2.449 -22.774 0.446 372 H PHE 68 H PHE 68 1.098 -18.054 0.475 373 HA PHE 68 HA PHE 68 0.394 -17.302 -2.212 374 HB2 PHE 68 2HB PHE 68 -1.625 -18.621 -0.399 375 HB3 PHE 68 1HB PHE 68 -2.098 -17.571 -1.730 376 HD1 PHE 68 1HD PHE 68 -0.637 -18.225 -3.979 377 HD2 PHE 68 2HD PHE 68 -1.845 -20.847 -0.853 378 HE1 PHE 68 1HE PHE 68 -0.500 -20.131 -5.530 379 HE2 PHE 68 2HE PHE 68 -1.711 -22.757 -2.398 380 HZ PHE 68 HZ PHE 68 -1.037 -22.400 -4.740 381 H ASP 69 H ASP 69 -1.633 -15.661 -1.945 382 HA ASP 69 HA ASP 69 -2.382 -13.668 -1.141 383 HB2 ASP 69 2HB ASP 69 -0.981 -14.300 1.458 384 HB3 ASP 69 1HB ASP 69 -2.341 -13.210 1.204 385 H LYS 70 H LYS 70 -1.548 -11.864 -1.897 386 HA LYS 70 HA LYS 70 1.038 -10.921 -0.948 387 HB2 LYS 70 2HB LYS 70 0.463 -11.765 -3.749 388 HB3 LYS 70 1HB LYS 70 1.447 -10.326 -3.514 389 HG2 LYS 70 2HG LYS 70 2.207 -12.693 -1.928 390 HG3 LYS 70 1HG LYS 70 2.453 -12.802 -3.672 391 HD2 LYS 70 2HD LYS 70 3.364 -10.353 -2.235 392 HD3 LYS 70 1HD LYS 70 4.323 -11.829 -2.102 393 HE2 LYS 70 2HE LYS 70 4.041 -11.852 -4.718 394 HE3 LYS 70 1HE LYS 70 3.769 -10.126 -4.483 395 HZ1 LYS 70 3HZ LYS 70 5.913 -10.131 -3.199 396 HZ2 LYS 70 1HZ LYS 70 6.060 -10.395 -4.864 397 HZ3 LYS 70 2HZ LYS 70 6.183 -11.693 -3.787 398 H ILE 71 H ILE 71 1.446 -8.634 -1.700 399 HA ILE 71 HA ILE 71 -1.046 -7.227 -2.343 400 HB ILE 71 HB ILE 71 0.810 -6.340 -0.137 401 HG12 ILE 71 2HG1 ILE 71 -1.732 -6.832 0.899 402 HG13 ILE 71 1HG1 ILE 71 -1.420 -8.196 -0.168 403 HG21 ILE 71 1HG2 ILE 71 -0.778 -4.610 0.285 404 HG22 ILE 71 2HG2 ILE 71 -1.909 -5.284 -0.887 405 HG23 ILE 71 3HG2 ILE 71 -0.394 -4.567 -1.435 406 HD11 ILE 71 3HD1 ILE 71 0.610 -7.327 1.847 407 HD12 ILE 71 1HD1 ILE 71 0.414 -8.896 1.066 408 HD13 ILE 71 2HD1 ILE 71 -0.737 -8.374 2.296 409 H SER 72 H SER 72 -0.863 -5.552 -3.655 410 HA SER 72 HA SER 72 1.776 -4.417 -4.216 411 HB2 SER 72 2HB SER 72 1.716 -5.879 -6.014 412 HB3 SER 72 1HB SER 72 -0.040 -5.811 -6.145 413 HG SER 72 HG SER 72 1.404 -4.626 -7.750 414 H TYR 73 H TYR 73 1.544 -2.403 -5.625 415 HA TYR 73 HA TYR 73 -1.012 -1.105 -5.623 416 HB2 TYR 73 2HB TYR 73 -0.530 0.678 -4.094 417 HB3 TYR 73 1HB TYR 73 -0.276 -0.848 -3.259 418 HD1 TYR 73 2HD TYR 73 2.300 -1.724 -3.591 419 HD2 TYR 73 1HD TYR 73 0.988 2.321 -3.605 420 HE1 TYR 73 2HE TYR 73 4.559 -0.996 -2.953 421 HE2 TYR 73 1HE TYR 73 3.244 3.062 -2.967 422 HH TYR 73 HH TYR 73 5.239 2.205 -1.927 423 H ASP 74 H ASP 74 -1.073 0.783 -6.855 424 HA ASP 74 HA ASP 74 1.405 1.756 -8.030 425 HB2 ASP 74 2HB ASP 74 0.801 1.304 -10.297 426 HB3 ASP 74 1HB ASP 74 0.639 -0.204 -9.404 427 H ILE 75 H ILE 75 0.952 3.571 -9.613 428 HA ILE 75 HA ILE 75 -1.490 5.055 -8.934 429 HB ILE 75 HB ILE 75 -0.129 7.151 -8.824 430 HG12 ILE 75 2HG1 ILE 75 2.343 6.486 -8.044 431 HG13 ILE 75 1HG1 ILE 75 2.047 5.148 -9.150 432 HG21 ILE 75 1HG2 ILE 75 0.894 6.502 -6.517 433 HG22 ILE 75 2HG2 ILE 75 0.074 4.970 -6.801 434 HG23 ILE 75 3HG2 ILE 75 -0.851 6.470 -6.750 435 HD11 ILE 75 3HD1 ILE 75 1.840 6.565 -10.988 436 HD12 ILE 75 1HD1 ILE 75 3.192 7.224 -10.068 437 HD13 ILE 75 2HD1 ILE 75 1.610 7.995 -9.977 438 H SER 76 H SER 76 -2.154 6.591 -10.511 439 HA SER 76 HA SER 76 -0.671 6.999 -12.916 440 HB2 SER 76 2HB SER 76 -3.131 5.241 -13.075 441 HB3 SER 76 1HB SER 76 -2.211 5.853 -14.456 442 HG SER 76 HG SER 76 -1.463 3.936 -12.523 443 H THR 77 H THR 77 -2.541 7.755 -14.678 444 HA THR 77 HA THR 77 -4.035 9.360 -15.250 445 HB THR 77 HB THR 77 -5.925 9.720 -13.970 446 HG1 THR 77 1HG THR 77 -5.937 9.873 -11.776 447 HG21 THR 77 3HG2 THR 77 -5.293 7.206 -14.169 448 HG22 THR 77 1HG2 THR 77 -6.644 7.713 -13.158 449 HG23 THR 77 2HG2 THR 77 -5.087 7.325 -12.426 450 HA PRO 78 HA PRO 78 -1.750 13.061 -14.434 451 HB2 PRO 78 2HB PRO 78 -4.186 14.525 -15.272 452 HB3 PRO 78 1HB PRO 78 -2.563 14.566 -15.950 453 HG2 PRO 78 2HG PRO 78 -4.556 13.339 -17.224 454 HG3 PRO 78 1HG PRO 78 -2.910 12.688 -17.256 455 HD2 PRO 78 2HD PRO 78 -5.269 11.803 -15.645 456 HD3 PRO 78 1HD PRO 78 -4.025 10.826 -16.455 457 H ILE 79 H ILE 79 -5.110 12.896 -13.325 458 HA ILE 79 HA ILE 79 -4.943 15.030 -11.489 459 HB ILE 79 HB ILE 79 -6.951 13.928 -10.420 460 HG12 ILE 79 2HG1 ILE 79 -7.646 12.242 -12.603 461 HG13 ILE 79 1HG1 ILE 79 -6.057 11.755 -12.043 462 HG21 ILE 79 1HG2 ILE 79 -7.690 15.547 -11.806 463 HG22 ILE 79 2HG2 ILE 79 -8.223 14.176 -12.781 464 HG23 ILE 79 3HG2 ILE 79 -6.701 14.979 -13.155 465 HD11 ILE 79 3HD1 ILE 79 -8.273 10.764 -11.027 466 HD12 ILE 79 1HD1 ILE 79 -8.157 12.195 -10.010 467 HD13 ILE 79 2HD1 ILE 79 -6.833 11.030 -10.042 468 H ASN 80 H ASN 80 -3.463 12.023 -11.399 469 HA ASN 80 HA ASN 80 -2.116 11.077 -9.831 470 HB2 ASN 80 2HB ASN 80 -2.051 13.579 -8.991 471 HB3 ASN 80 1HB ASN 80 -3.041 12.936 -7.682 472 HD21 ASN 80 1HD2 ASN 80 -0.063 12.220 -9.469 473 HD22 ASN 80 2HD2 ASN 80 0.836 11.677 -8.097 474 H PHE 81 H PHE 81 -3.516 9.281 -9.987 475 HA PHE 81 HA PHE 81 -5.414 8.998 -7.759 476 HB2 PHE 81 2HB PHE 81 -5.940 8.611 -10.373 477 HB3 PHE 81 1HB PHE 81 -5.389 6.996 -9.950 478 HD1 PHE 81 2HD PHE 81 -7.580 9.614 -8.430 479 HD2 PHE 81 1HD PHE 81 -7.053 5.515 -9.448 480 HE1 PHE 81 2HE PHE 81 -9.799 9.099 -7.512 481 HE2 PHE 81 1HE PHE 81 -9.277 4.998 -8.531 482 HZ PHE 81 HZ PHE 81 -10.653 6.791 -7.562 483 H LEU 82 H LEU 82 -5.222 7.314 -6.332 484 HA LEU 82 HA LEU 82 -2.703 5.829 -6.463 485 HB2 LEU 82 2HB LEU 82 -3.452 7.302 -4.467 486 HB3 LEU 82 1HB LEU 82 -4.520 5.970 -4.082 487 HG LEU 82 HG LEU 82 -2.573 5.721 -2.743 488 HD11 LEU 82 1HD1 LEU 82 -2.011 3.802 -4.957 489 HD12 LEU 82 2HD1 LEU 82 -3.539 3.729 -4.081 490 HD13 LEU 82 3HD1 LEU 82 -2.015 3.535 -3.213 491 HD21 LEU 82 3HD2 LEU 82 -1.253 6.955 -4.873 492 HD22 LEU 82 1HD2 LEU 82 -0.546 5.343 -4.753 493 HD23 LEU 82 2HD2 LEU 82 -0.550 6.410 -3.351 494 H CYS 83 H CYS 83 -3.226 4.127 -7.799 495 HA CYS 83 HA CYS 83 -5.585 2.525 -7.245 496 HB2 CYS 83 2HB CYS 83 -4.818 3.061 -9.581 497 HB3 CYS 83 1HB CYS 83 -3.427 2.020 -9.298 498 HG CYS 83 HG CYS 83 -5.262 0.056 -8.944 499 H ILE 84 H ILE 84 -5.482 1.117 -5.633 500 HA ILE 84 HA ILE 84 -2.942 -0.207 -5.017 501 HB ILE 84 HB ILE 84 -5.502 0.088 -3.478 502 HG12 ILE 84 2HG1 ILE 84 -3.659 1.892 -3.605 503 HG13 ILE 84 1HG1 ILE 84 -4.316 1.465 -2.030 504 HG21 ILE 84 1HG2 ILE 84 -4.400 -1.187 -1.650 505 HG22 ILE 84 2HG2 ILE 84 -3.138 -1.641 -2.795 506 HG23 ILE 84 3HG2 ILE 84 -4.800 -2.164 -3.064 507 HD11 ILE 84 3HD1 ILE 84 -2.344 0.771 -1.298 508 HD12 ILE 84 1HD1 ILE 84 -1.664 1.564 -2.718 509 HD13 ILE 84 2HD1 ILE 84 -2.037 -0.159 -2.763 510 H PHE 85 H PHE 85 -2.589 -2.131 -5.890 511 HA PHE 85 HA PHE 85 -4.891 -3.874 -6.466 512 HB2 PHE 85 2HB PHE 85 -2.463 -3.210 -7.978 513 HB3 PHE 85 1HB PHE 85 -2.794 -4.936 -7.893 514 HD1 PHE 85 1HD PHE 85 -5.672 -5.098 -7.989 515 HD2 PHE 85 2HD PHE 85 -3.043 -2.488 -10.083 516 HE1 PHE 85 1HE PHE 85 -7.338 -4.870 -9.785 517 HE2 PHE 85 2HE PHE 85 -4.703 -2.254 -11.878 518 HZ PHE 85 HZ PHE 85 -6.854 -3.445 -11.735 519 H ILE 86 H ILE 86 -5.031 -4.991 -4.557 520 HA ILE 86 HA ILE 86 -2.616 -6.361 -3.596 521 HB ILE 86 HB ILE 86 -3.728 -5.086 -1.881 522 HG12 ILE 86 2HG1 ILE 86 -4.350 -8.017 -1.465 523 HG13 ILE 86 1HG1 ILE 86 -2.750 -7.306 -1.296 524 HG21 ILE 86 1HG2 ILE 86 -5.923 -4.782 -1.886 525 HG22 ILE 86 2HG2 ILE 86 -6.166 -6.484 -1.500 526 HG23 ILE 86 3HG2 ILE 86 -6.094 -5.963 -3.181 527 HD11 ILE 86 3HD1 ILE 86 -3.506 -5.946 0.542 528 HD12 ILE 86 1HD1 ILE 86 -3.893 -7.639 0.852 529 HD13 ILE 86 2HD1 ILE 86 -5.158 -6.526 0.328 530 HA PRO 87 HA PRO 87 -4.576 -9.900 -5.693 531 HB2 PRO 87 2HB PRO 87 -1.988 -11.191 -5.189 532 HB3 PRO 87 1HB PRO 87 -2.804 -10.876 -6.725 533 HG2 PRO 87 2HG PRO 87 -0.587 -9.538 -5.980 534 HG3 PRO 87 1HG PRO 87 -1.868 -8.784 -6.946 535 HD2 PRO 87 2HD PRO 87 -1.311 -8.537 -4.014 536 HD3 PRO 87 1HD PRO 87 -1.782 -7.286 -5.179 537 H THR 88 H THR 88 -5.721 -11.483 -4.733 538 HA THR 88 HA THR 88 -4.714 -13.122 -2.661 539 HB THR 88 HB THR 88 -5.057 -11.019 -1.373 540 HG1 THR 88 1HG THR 88 -6.281 -12.039 0.285 541 HG21 THR 88 3HG2 THR 88 -7.992 -11.412 -1.430 542 HG22 THR 88 1HG2 THR 88 -7.248 -10.520 -2.756 543 HG23 THR 88 2HG2 THR 88 -7.043 -9.963 -1.096 544 H LEU 89 H LEU 89 -5.858 -14.960 -2.536 545 HA LEU 89 HA LEU 89 -8.293 -15.144 -4.138 546 HB2 LEU 89 2HB LEU 89 -6.330 -17.145 -3.077 547 HB3 LEU 89 1HB LEU 89 -7.914 -17.659 -3.626 548 HG LEU 89 HG LEU 89 -7.308 -16.416 -5.819 549 HD11 LEU 89 1HD1 LEU 89 -5.167 -15.818 -6.233 550 HD12 LEU 89 2HD1 LEU 89 -4.496 -17.079 -5.198 551 HD13 LEU 89 3HD1 LEU 89 -5.139 -15.602 -4.483 552 HD21 LEU 89 3HD2 LEU 89 -6.854 -18.439 -6.713 553 HD22 LEU 89 1HD2 LEU 89 -7.278 -19.002 -5.096 554 HD23 LEU 89 2HD2 LEU 89 -5.584 -18.794 -5.542 555 H PHE 90 H PHE 90 -7.267 -15.088 -0.867 556 HA PHE 90 HA PHE 90 -8.348 -15.278 1.114 557 HB2 PHE 90 2HB PHE 90 -9.898 -13.676 0.647 558 HB3 PHE 90 1HB PHE 90 -10.492 -14.496 -0.791 559 HD1 PHE 90 2HD PHE 90 -10.767 -14.190 2.843 560 HD2 PHE 90 1HD PHE 90 -12.255 -16.140 -0.635 561 HE1 PHE 90 2HE PHE 90 -12.715 -14.977 4.123 562 HE2 PHE 90 1HE PHE 90 -14.207 -16.929 0.638 563 HZ PHE 90 HZ PHE 90 -14.439 -16.349 3.021 564 H ASP 91 H ASP 91 -8.157 -17.163 2.022 565 HA ASP 91 HA ASP 91 -10.082 -19.065 2.308 566 HB2 ASP 91 2HB ASP 91 -10.010 -19.603 -0.050 567 HB3 ASP 91 1HB ASP 91 -8.256 -19.774 -0.004 568 H MET 92 H MET 92 -6.611 -18.740 1.708 569 HA MET 92 HA MET 92 -6.066 -20.545 3.958 570 HB2 MET 92 2HB MET 92 -4.619 -19.807 1.483 571 HB3 MET 92 1HB MET 92 -3.621 -20.060 2.915 572 HG2 MET 92 2HG MET 92 -5.582 -22.157 2.620 573 HG3 MET 92 1HG MET 92 -4.592 -21.993 1.170 574 HE1 MET 92 3HE MET 92 -3.947 -24.969 2.896 575 HE2 MET 92 1HE MET 92 -2.427 -24.663 2.055 576 HE3 MET 92 2HE MET 92 -3.956 -24.182 1.318 577 H ASN 93 H ASN 93 -6.099 -17.243 3.109 578 HA ASN 93 HA ASN 93 -4.018 -16.120 4.518 579 HB2 ASN 93 2HB ASN 93 -6.618 -15.238 3.540 580 HB3 ASN 93 1HB ASN 93 -6.143 -14.394 5.012 581 HD21 ASN 93 1HD2 ASN 93 -6.412 -13.281 2.399 582 HD22 ASN 93 2HD2 ASN 93 -4.861 -12.674 1.938 583 H ASN 94 H ASN 94 -7.157 -17.194 5.751 584 HA ASN 94 HA ASN 94 -7.907 -17.626 7.854 585 HB2 ASN 94 2HB ASN 94 -5.282 -18.572 7.759 586 HB3 ASN 94 1HB ASN 94 -5.365 -17.654 9.259 587 HD21 ASN 94 1HD2 ASN 94 -6.733 -20.316 7.453 588 HD22 ASN 94 2HD2 ASN 94 -7.437 -21.126 8.807 589 H MET 95 H MET 95 -7.093 -14.817 6.962 590 HA MET 95 HA MET 95 -8.001 -13.405 9.168 591 HB2 MET 95 2HB MET 95 -5.121 -13.972 9.220 592 HB3 MET 95 1HB MET 95 -5.510 -12.265 9.388 593 HG2 MET 95 2HG MET 95 -6.215 -12.528 11.475 594 HG3 MET 95 1HG MET 95 -7.197 -13.930 11.050 595 HE1 MET 95 3HE MET 95 -6.887 -14.605 13.286 596 HE2 MET 95 1HE MET 95 -5.463 -15.361 14.000 597 HE3 MET 95 2HE MET 95 -6.410 -16.230 12.792 598 H ASP 96 H ASP 96 -9.100 -12.576 7.301 599 HA ASP 96 HA ASP 96 -7.859 -11.274 5.157 600 HB2 ASP 96 2HB ASP 96 -10.049 -10.153 4.828 601 HB3 ASP 96 1HB ASP 96 -10.207 -11.890 5.075 602 H LEU 97 H LEU 97 -6.361 -9.739 5.475 603 HA LEU 97 HA LEU 97 -6.837 -7.670 7.491 604 HB2 LEU 97 2HB LEU 97 -4.412 -8.634 6.024 605 HB3 LEU 97 1HB LEU 97 -4.418 -7.038 6.748 606 HG LEU 97 HG LEU 97 -5.104 -9.465 8.376 607 HD11 LEU 97 1HD1 LEU 97 -2.348 -8.431 8.512 608 HD12 LEU 97 2HD1 LEU 97 -2.753 -9.375 7.078 609 HD13 LEU 97 3HD1 LEU 97 -2.957 -10.077 8.683 610 HD21 LEU 97 3HD2 LEU 97 -4.338 -6.630 8.887 611 HD22 LEU 97 1HD2 LEU 97 -3.932 -7.861 10.082 612 HD23 LEU 97 2HD2 LEU 97 -5.614 -7.601 9.619 613 H LEU 98 H LEU 98 -8.341 -7.717 5.013 614 HA LEU 98 HA LEU 98 -7.245 -5.617 3.355 615 HB2 LEU 98 2HB LEU 98 -9.575 -7.434 3.260 616 HB3 LEU 98 1HB LEU 98 -9.791 -5.875 2.488 617 HG LEU 98 HG LEU 98 -9.057 -7.666 0.934 618 HD11 LEU 98 1HD1 LEU 98 -8.462 -5.115 0.824 619 HD12 LEU 98 2HD1 LEU 98 -7.757 -6.258 -0.319 620 HD13 LEU 98 3HD1 LEU 98 -6.819 -5.707 1.069 621 HD21 LEU 98 3HD2 LEU 98 -6.433 -7.529 2.407 622 HD22 LEU 98 1HD2 LEU 98 -6.845 -8.560 1.036 623 HD23 LEU 98 2HD2 LEU 98 -7.607 -8.829 2.604 624 H LYS 99 H LYS 99 -9.567 -5.947 5.937 625 HA LYS 99 HA LYS 99 -10.938 -3.516 5.614 626 HB2 LYS 99 2HB LYS 99 -11.288 -5.607 7.234 627 HB3 LYS 99 1HB LYS 99 -10.451 -4.548 8.361 628 HG2 LYS 99 2HG LYS 99 -12.153 -2.791 7.843 629 HG3 LYS 99 1HG LYS 99 -13.036 -4.009 6.921 630 HD2 LYS 99 2HD LYS 99 -14.068 -4.480 8.851 631 HD3 LYS 99 1HD LYS 99 -12.566 -5.284 9.308 632 HE2 LYS 99 2HE LYS 99 -12.871 -3.885 11.103 633 HE3 LYS 99 1HE LYS 99 -11.866 -2.876 10.063 634 HZ1 LYS 99 3HZ LYS 99 -14.091 -2.000 9.188 635 HZ2 LYS 99 1HZ LYS 99 -13.575 -1.476 10.712 636 HZ3 LYS 99 2HZ LYS 99 -14.759 -2.676 10.586 637 H GLN 100 H GLN 100 -7.770 -4.214 6.795 638 HA GLN 100 HA GLN 100 -7.462 -1.790 8.304 639 HB2 GLN 100 2HB GLN 100 -6.167 -4.042 8.524 640 HB3 GLN 100 1HB GLN 100 -5.165 -3.396 7.232 641 HG2 GLN 100 2HG GLN 100 -4.105 -1.991 8.598 642 HG3 GLN 100 1HG GLN 100 -5.594 -1.509 9.411 643 HE21 GLN 100 1HE2 GLN 100 -3.821 -1.590 11.158 644 HE22 GLN 100 2HE2 GLN 100 -3.730 -3.065 12.053 645 H ALA 101 H ALA 101 -6.863 -2.836 5.029 646 HA ALA 101 HA ALA 101 -5.300 -0.541 4.298 647 HB1 ALA 101 1HB ALA 101 -4.731 -2.144 2.832 648 HB2 ALA 101 2HB ALA 101 -6.138 -1.575 1.934 649 HB3 ALA 101 3HB ALA 101 -6.275 -2.981 2.991 650 H LEU 102 H LEU 102 -8.674 -1.430 4.256 651 HA LEU 102 HA LEU 102 -9.490 0.704 2.522 652 HB2 LEU 102 2HB LEU 102 -10.655 -1.628 3.596 653 HB3 LEU 102 1HB LEU 102 -11.630 -0.286 4.164 654 HG LEU 102 HG LEU 102 -10.953 -0.292 1.280 655 HD11 LEU 102 1HD1 LEU 102 -11.696 -2.687 2.232 656 HD12 LEU 102 2HD1 LEU 102 -12.167 -2.084 0.644 657 HD13 LEU 102 3HD1 LEU 102 -13.282 -1.950 2.004 658 HD21 LEU 102 3HD2 LEU 102 -13.699 0.041 2.315 659 HD22 LEU 102 1HD2 LEU 102 -12.820 0.971 1.101 660 HD23 LEU 102 2HD2 LEU 102 -12.516 1.251 2.815 661 H LEU 103 H LEU 103 -9.305 0.204 6.004 662 HA LEU 103 HA LEU 103 -10.716 2.613 6.640 663 HB2 LEU 103 2HB LEU 103 -10.220 2.142 8.916 664 HB3 LEU 103 1HB LEU 103 -10.612 0.624 8.133 665 HG LEU 103 HG LEU 103 -8.025 0.381 7.882 666 HD11 LEU 103 1HD1 LEU 103 -8.312 2.722 9.630 667 HD12 LEU 103 2HD1 LEU 103 -6.950 2.203 8.637 668 HD13 LEU 103 3HD1 LEU 103 -7.211 1.478 10.223 669 HD21 LEU 103 3HD2 LEU 103 -9.248 -1.166 9.187 670 HD22 LEU 103 1HD2 LEU 103 -9.589 0.039 10.429 671 HD23 LEU 103 2HD2 LEU 103 -7.948 -0.575 10.222 672 H ILE 104 H ILE 104 -7.379 1.739 6.111 673 HA ILE 104 HA ILE 104 -6.286 4.124 7.256 674 HB ILE 104 HB ILE 104 -4.960 2.058 7.065 675 HG12 ILE 104 2HG1 ILE 104 -3.047 3.378 5.600 676 HG13 ILE 104 1HG1 ILE 104 -4.105 4.696 6.096 677 HG21 ILE 104 1HG2 ILE 104 -4.034 1.390 4.896 678 HG22 ILE 104 2HG2 ILE 104 -5.028 2.611 4.103 679 HG23 ILE 104 3HG2 ILE 104 -5.791 1.257 4.934 680 HD11 ILE 104 3HD1 ILE 104 -3.887 3.642 8.451 681 HD12 ILE 104 1HD1 ILE 104 -2.568 4.617 7.804 682 HD13 ILE 104 2HD1 ILE 104 -2.463 2.856 7.770 683 H LEU 105 H LEU 105 -7.158 3.082 3.991 684 HA LEU 105 HA LEU 105 -6.096 5.382 2.693 685 HB2 LEU 105 2HB LEU 105 -7.399 4.628 0.745 686 HB3 LEU 105 1HB LEU 105 -6.426 3.349 1.443 687 HG LEU 105 HG LEU 105 -8.579 2.646 2.672 688 HD11 LEU 105 1HD1 LEU 105 -9.532 4.901 1.174 689 HD12 LEU 105 2HD1 LEU 105 -10.373 3.915 2.368 690 HD13 LEU 105 3HD1 LEU 105 -10.377 3.437 0.671 691 HD21 LEU 105 3HD2 LEU 105 -7.623 1.284 0.959 692 HD22 LEU 105 1HD2 LEU 105 -8.222 2.357 -0.305 693 HD23 LEU 105 2HD2 LEU 105 -9.356 1.403 0.653 694 H HIS 106 H HIS 106 -9.197 4.575 4.110 695 HA HIS 106 HA HIS 106 -10.581 6.837 3.031 696 HB2 HIS 106 2HB HIS 106 -11.357 4.506 4.268 697 HB3 HIS 106 1HB HIS 106 -11.653 5.708 5.517 698 HD1 HIS 106 1HD HIS 106 -13.881 4.117 3.914 699 HD2 HIS 106 2HD HIS 106 -12.638 8.013 3.178 700 HE1 HIS 106 1HE HIS 106 -15.808 5.227 2.730 701 HE2 HIS 106 2HE HIS 106 -15.055 7.601 2.348 702 H ASN 107 H ASN 107 -9.059 6.085 6.139 703 HA ASN 107 HA ASN 107 -9.775 8.467 7.457 704 HB2 ASN 107 2HB ASN 107 -7.987 6.208 7.936 705 HB3 ASN 107 1HB ASN 107 -7.343 7.718 8.570 706 HD21 ASN 107 1HD2 ASN 107 -9.579 5.203 8.995 707 HD22 ASN 107 2HD2 ASN 107 -10.363 5.814 10.403 708 H ASP 108 H ASP 108 -6.855 7.577 5.641 709 HA ASP 108 HA ASP 108 -5.451 9.972 6.023 710 HB2 ASP 108 2HB ASP 108 -5.210 7.609 4.355 711 HB3 ASP 108 1HB ASP 108 -4.713 9.060 3.491 712 H LEU 109 H LEU 109 -7.926 9.057 3.710 713 HA LEU 109 HA LEU 109 -7.629 11.298 1.996 714 HB2 LEU 109 2HB LEU 109 -9.551 9.097 2.356 715 HB3 LEU 109 1HB LEU 109 -10.237 10.566 1.684 716 HG LEU 109 HG LEU 109 -7.840 9.148 0.527 717 HD11 LEU 109 1HD1 LEU 109 -9.684 8.702 -1.302 718 HD12 LEU 109 2HD1 LEU 109 -10.762 8.798 0.096 719 HD13 LEU 109 3HD1 LEU 109 -9.460 7.609 0.061 720 HD21 LEU 109 3HD2 LEU 109 -7.803 10.720 -1.102 721 HD22 LEU 109 1HD2 LEU 109 -8.504 11.714 0.172 722 HD23 LEU 109 2HD2 LEU 109 -9.547 10.981 -1.046 723 H HIS 110 H HIS 110 -10.131 10.562 4.432 724 HA HIS 110 HA HIS 110 -11.320 13.106 4.372 725 HB2 HIS 110 2HB HIS 110 -11.318 10.949 6.484 726 HB3 HIS 110 1HB HIS 110 -12.286 12.418 6.611 727 HD1 HIS 110 1HD HIS 110 -14.461 10.989 6.555 728 HD2 HIS 110 2HD HIS 110 -12.119 10.704 3.130 729 HE1 HIS 110 1HE HIS 110 -15.922 9.894 4.825 730 HE2 HIS 110 2HE HIS 110 -14.516 9.817 2.737 731 H GLU 111 H GLU 111 -8.575 11.850 6.113 732 HA GLU 111 HA GLU 111 -8.359 13.746 8.148 733 HB2 GLU 111 2HB GLU 111 -6.542 11.848 6.813 734 HB3 GLU 111 1HB GLU 111 -5.754 13.199 7.614 735 HG2 GLU 111 2HG GLU 111 -7.793 12.033 9.289 736 HG3 GLU 111 1HG GLU 111 -6.613 10.827 8.772 737 H TYR 112 H TYR 112 -7.832 14.058 4.759 738 HA TYR 112 HA TYR 112 -6.961 16.825 5.178 739 HB2 TYR 112 2HB TYR 112 -5.693 14.850 3.254 740 HB3 TYR 112 1HB TYR 112 -5.384 16.590 3.252 741 HD1 TYR 112 1HD TYR 112 -4.159 17.628 5.126 742 HD2 TYR 112 2HD TYR 112 -4.695 13.416 4.887 743 HE1 TYR 112 1HE TYR 112 -2.372 17.320 6.786 744 HE2 TYR 112 2HE TYR 112 -2.907 13.093 6.547 745 HH TYR 112 HH TYR 112 -1.801 14.344 8.329 746 H VAL 113 H VAL 113 -7.440 14.763 2.315 747 HA VAL 113 HA VAL 113 -8.588 15.182 0.377 748 HB VAL 113 HB VAL 113 -10.294 14.126 1.716 749 HG11 VAL 113 1HG1 VAL 113 -11.968 15.565 2.932 750 HG12 VAL 113 2HG1 VAL 113 -10.843 16.908 2.740 751 HG13 VAL 113 3HG1 VAL 113 -10.361 15.480 3.663 752 HG21 VAL 113 3HG2 VAL 113 -11.824 16.361 0.483 753 HG22 VAL 113 1HG2 VAL 113 -12.060 14.617 0.353 754 HG23 VAL 113 2HG2 VAL 113 -10.767 15.404 -0.550 755 H GLU 114 H GLU 114 -7.090 17.280 0.521 756 HA GLU 114 HA GLU 114 -8.861 19.622 0.246 757 HB2 GLU 114 2HB GLU 114 -6.692 19.372 1.898 758 HB3 GLU 114 1HB GLU 114 -5.964 20.119 0.481 759 HG2 GLU 114 2HG GLU 114 -6.592 21.872 1.919 760 HG3 GLU 114 1HG GLU 114 -7.768 21.864 0.605 Start of MODEL 17 1 H THR 26 H THR 26 -7.294 -17.646 -10.279 2 HA THR 26 HA THR 26 -5.622 -16.978 -7.988 3 HB THR 26 HB THR 26 -4.065 -16.540 -9.721 4 HG1 THR 26 1HG THR 26 -4.530 -14.776 -8.185 5 HG21 THR 26 3HG2 THR 26 -4.516 -15.928 -11.807 6 HG22 THR 26 1HG2 THR 26 -5.574 -14.616 -11.288 7 HG23 THR 26 2HG2 THR 26 -6.202 -16.259 -11.411 8 H SER 27 H SER 27 -6.144 -14.943 -7.019 9 HA SER 27 HA SER 27 -8.750 -13.854 -7.862 10 HB2 SER 27 2HB SER 27 -8.441 -15.318 -5.611 11 HB3 SER 27 1HB SER 27 -8.060 -13.715 -4.982 12 H LYS 28 H LYS 28 -8.489 -11.836 -8.542 13 HA LYS 28 HA LYS 28 -6.315 -10.218 -7.434 14 HB2 LYS 28 2HB LYS 28 -7.264 -10.573 -10.029 15 HB3 LYS 28 1HB LYS 28 -7.841 -8.976 -9.573 16 HG2 LYS 28 2HG LYS 28 -5.823 -8.095 -9.823 17 HG3 LYS 28 1HG LYS 28 -5.091 -9.326 -8.793 18 HD2 LYS 28 2HD LYS 28 -4.041 -9.546 -10.895 19 HD3 LYS 28 1HD LYS 28 -5.203 -10.872 -10.802 20 HE2 LYS 28 2HE LYS 28 -5.768 -10.134 -12.861 21 HE3 LYS 28 1HE LYS 28 -6.751 -8.999 -11.937 22 HZ1 LYS 28 3HZ LYS 28 -5.025 -8.247 -13.802 23 HZ2 LYS 28 1HZ LYS 28 -4.008 -8.193 -12.446 24 HZ3 LYS 28 2HZ LYS 28 -5.430 -7.277 -12.468 25 H GLN 29 H GLN 29 -6.638 -8.321 -6.359 26 HA GLN 29 HA GLN 29 -9.385 -7.343 -6.068 27 HB2 GLN 29 2HB GLN 29 -7.517 -7.927 -3.759 28 HB3 GLN 29 1HB GLN 29 -9.049 -7.064 -3.623 29 HG2 GLN 29 2HG GLN 29 -9.469 -9.553 -4.968 30 HG3 GLN 29 1HG GLN 29 -8.592 -9.831 -3.465 31 HE21 GLN 29 1HE2 GLN 29 -9.958 -10.423 -1.949 32 HE22 GLN 29 2HE2 GLN 29 -11.506 -9.724 -1.640 33 H GLU 30 H GLU 30 -9.593 -5.178 -5.900 34 HA GLU 30 HA GLU 30 -7.152 -3.578 -5.616 35 HB2 GLU 30 2HB GLU 30 -7.579 -2.299 -7.543 36 HB3 GLU 30 1HB GLU 30 -7.825 -3.968 -8.038 37 HG2 GLU 30 2HG GLU 30 -10.021 -2.056 -7.291 38 HG3 GLU 30 1HG GLU 30 -9.518 -2.435 -8.937 39 H LEU 31 H LEU 31 -7.374 -1.724 -4.482 40 HA LEU 31 HA LEU 31 -10.071 -1.085 -3.498 41 HB2 LEU 31 2HB LEU 31 -7.370 -0.761 -2.201 42 HB3 LEU 31 1HB LEU 31 -8.825 -0.017 -1.571 43 HG LEU 31 HG LEU 31 -9.578 -2.651 -1.825 44 HD11 LEU 31 1HD1 LEU 31 -6.683 -2.519 -1.009 45 HD12 LEU 31 2HD1 LEU 31 -7.396 -3.457 -2.322 46 HD13 LEU 31 3HD1 LEU 31 -7.743 -3.881 -0.646 47 HD21 LEU 31 3HD2 LEU 31 -8.370 -1.326 0.601 48 HD22 LEU 31 1HD2 LEU 31 -9.476 -2.700 0.594 49 HD23 LEU 31 2HD2 LEU 31 -10.030 -1.121 0.048 50 H ILE 32 H ILE 32 -10.687 1.090 -3.317 51 HA ILE 32 HA ILE 32 -9.441 2.816 -5.282 52 HB ILE 32 HB ILE 32 -11.829 3.445 -3.543 53 HG12 ILE 32 2HG1 ILE 32 -12.273 1.374 -4.743 54 HG13 ILE 32 1HG1 ILE 32 -13.201 2.688 -5.463 55 HG21 ILE 32 1HG2 ILE 32 -10.625 5.294 -4.776 56 HG22 ILE 32 2HG2 ILE 32 -12.347 5.124 -5.122 57 HG23 ILE 32 3HG2 ILE 32 -11.148 4.513 -6.268 58 HD11 ILE 32 3HD1 ILE 32 -10.820 2.649 -6.887 59 HD12 ILE 32 1HD1 ILE 32 -12.388 2.043 -7.417 60 HD13 ILE 32 2HD1 ILE 32 -11.235 0.951 -6.651 61 H LEU 33 H LEU 33 -8.105 4.452 -4.867 62 HA LEU 33 HA LEU 33 -7.958 5.491 -2.118 63 HB2 LEU 33 2HB LEU 33 -5.544 5.166 -3.881 64 HB3 LEU 33 1HB LEU 33 -5.590 5.532 -2.162 65 HG LEU 33 HG LEU 33 -6.734 2.935 -3.064 66 HD11 LEU 33 1HD1 LEU 33 -3.884 3.727 -3.270 67 HD12 LEU 33 2HD1 LEU 33 -4.812 2.568 -4.222 68 HD13 LEU 33 3HD1 LEU 33 -4.249 2.134 -2.608 69 HD21 LEU 33 3HD2 LEU 33 -6.291 2.263 -0.913 70 HD22 LEU 33 1HD2 LEU 33 -6.596 3.980 -0.668 71 HD23 LEU 33 2HD2 LEU 33 -4.941 3.381 -0.725 72 H VAL 34 H VAL 34 -7.269 7.689 -1.926 73 HA VAL 34 HA VAL 34 -7.017 9.245 -4.365 74 HB VAL 34 HB VAL 34 -9.142 9.978 -2.348 75 HG11 VAL 34 1HG1 VAL 34 -9.858 11.563 -4.066 76 HG12 VAL 34 2HG1 VAL 34 -8.536 11.031 -5.108 77 HG13 VAL 34 3HG1 VAL 34 -8.181 11.846 -3.585 78 HG21 VAL 34 3HG2 VAL 34 -9.368 8.472 -4.940 79 HG22 VAL 34 1HG2 VAL 34 -10.723 9.343 -4.233 80 HG23 VAL 34 2HG2 VAL 34 -9.977 8.016 -3.348 81 H LEU 35 H LEU 35 -5.367 10.509 -4.083 82 HA LEU 35 HA LEU 35 -4.733 11.495 -1.389 83 HB2 LEU 35 2HB LEU 35 -3.183 10.140 -3.229 84 HB3 LEU 35 1HB LEU 35 -2.693 11.802 -3.454 85 HG LEU 35 HG LEU 35 -2.669 11.511 -0.701 86 HD11 LEU 35 1HD1 LEU 35 -2.952 9.120 -0.845 87 HD12 LEU 35 2HD1 LEU 35 -1.315 9.489 -0.312 88 HD13 LEU 35 3HD1 LEU 35 -1.605 8.996 -1.979 89 HD21 LEU 35 3HD2 LEU 35 -0.090 11.131 -1.294 90 HD22 LEU 35 1HD2 LEU 35 -0.893 12.691 -1.473 91 HD23 LEU 35 2HD2 LEU 35 -0.672 11.646 -2.877 92 H LYS 36 H LYS 36 -3.527 13.649 -1.451 93 HA LYS 36 HA LYS 36 -3.867 15.485 -3.544 94 HB2 LYS 36 2HB LYS 36 -6.297 14.949 -2.350 95 HB3 LYS 36 1HB LYS 36 -5.762 16.406 -1.516 96 HG2 LYS 36 2HG LYS 36 -6.749 17.450 -3.231 97 HG3 LYS 36 1HG LYS 36 -5.246 17.094 -4.076 98 HD2 LYS 36 2HD LYS 36 -6.283 15.731 -5.505 99 HD3 LYS 36 1HD LYS 36 -7.070 14.849 -4.192 100 HE2 LYS 36 2HE LYS 36 -8.920 15.707 -5.205 101 HE3 LYS 36 1HE LYS 36 -8.561 17.053 -4.133 102 HZ1 LYS 36 3HZ LYS 36 -9.008 17.793 -6.392 103 HZ2 LYS 36 1HZ LYS 36 -7.736 16.844 -6.980 104 HZ3 LYS 36 2HZ LYS 36 -7.413 18.144 -5.950 105 H GLY 37 H GLY 37 -2.112 16.648 -3.144 106 HA2 GLY 37 2HA GLY 37 -1.918 18.153 -0.676 107 HA3 GLY 37 1HA GLY 37 -0.657 16.944 -0.887 108 H GLU 38 H GLU 38 0.544 19.100 -0.694 109 HA GLU 38 HA GLU 38 1.324 19.866 -3.383 110 HB2 GLU 38 2HB GLU 38 0.055 21.740 -1.426 111 HB3 GLU 38 1HB GLU 38 1.301 22.346 -2.515 112 HG2 GLU 38 2HG GLU 38 -1.255 20.989 -3.344 113 HG3 GLU 38 1HG GLU 38 -0.953 22.724 -3.391 114 H LEU 39 H LEU 39 3.088 18.506 -2.426 115 HA LEU 39 HA LEU 39 4.904 20.165 -0.810 116 HB2 LEU 39 2HB LEU 39 3.965 17.557 -0.325 117 HB3 LEU 39 1HB LEU 39 5.633 17.377 -0.819 118 HG LEU 39 HG LEU 39 5.257 19.499 1.149 119 HD11 LEU 39 1HD1 LEU 39 4.866 16.723 2.200 120 HD12 LEU 39 2HD1 LEU 39 3.484 17.719 1.726 121 HD13 LEU 39 3HD1 LEU 39 4.582 18.270 2.995 122 HD21 LEU 39 3HD2 LEU 39 7.105 17.271 0.554 123 HD22 LEU 39 1HD2 LEU 39 7.004 17.791 2.233 124 HD23 LEU 39 2HD2 LEU 39 7.451 18.942 0.974 125 H ASP 40 H ASP 40 7.233 18.773 -1.140 126 HA ASP 40 HA ASP 40 7.713 18.938 -4.042 127 HB2 ASP 40 2HB ASP 40 10.055 19.674 -3.385 128 HB3 ASP 40 1HB ASP 40 8.767 20.842 -3.088 129 H LEU 41 H LEU 41 8.732 17.456 -0.993 130 HA LEU 41 HA LEU 41 9.610 15.109 -2.525 131 HB2 LEU 41 2HB LEU 41 11.398 16.793 -1.387 132 HB3 LEU 41 1HB LEU 41 11.104 15.689 -0.053 133 HG LEU 41 HG LEU 41 11.520 13.907 -2.043 134 HD11 LEU 41 1HD1 LEU 41 12.011 15.466 -3.762 135 HD12 LEU 41 2HD1 LEU 41 13.549 14.750 -3.269 136 HD13 LEU 41 3HD1 LEU 41 13.122 16.370 -2.721 137 HD21 LEU 41 3HD2 LEU 41 13.458 15.252 -0.180 138 HD22 LEU 41 1HD2 LEU 41 13.928 13.893 -1.199 139 HD23 LEU 41 2HD2 LEU 41 12.655 13.699 0.006 140 H HIS 42 H HIS 42 10.253 13.380 -0.595 141 HA HIS 42 HA HIS 42 9.416 11.912 0.918 142 HB2 HIS 42 2HB HIS 42 9.329 14.264 2.193 143 HB3 HIS 42 1HB HIS 42 7.608 13.921 2.156 144 HD1 HIS 42 1HD HIS 42 10.403 11.419 2.703 145 HD2 HIS 42 2HD HIS 42 7.199 13.120 4.733 146 HE1 HIS 42 1HE HIS 42 10.253 10.178 4.886 147 HE2 HIS 42 2HE HIS 42 8.372 11.293 6.138 148 H SER 43 H SER 43 8.252 10.600 -0.440 149 HA SER 43 HA SER 43 5.490 11.312 -1.063 150 HB2 SER 43 2HB SER 43 5.626 9.111 -2.399 151 HB3 SER 43 1HB SER 43 6.593 10.467 -2.970 152 HG SER 43 HG SER 43 7.575 8.413 -1.280 153 H LYS 44 H LYS 44 4.326 11.002 0.783 154 HA LYS 44 HA LYS 44 4.671 8.751 2.498 155 HB2 LYS 44 2HB LYS 44 2.437 10.773 2.286 156 HB3 LYS 44 1HB LYS 44 2.560 9.567 3.556 157 HG2 LYS 44 2HG LYS 44 5.033 10.882 3.500 158 HG3 LYS 44 1HG LYS 44 3.798 12.136 3.383 159 HD2 LYS 44 2HD LYS 44 3.080 11.796 5.490 160 HD3 LYS 44 1HD LYS 44 3.242 10.043 5.364 161 HE2 LYS 44 2HE LYS 44 5.310 10.045 6.241 162 HE3 LYS 44 1HE LYS 44 5.777 11.513 5.386 163 HZ1 LYS 44 3HZ LYS 44 5.769 12.104 7.627 164 HZ2 LYS 44 1HZ LYS 44 4.334 11.270 7.952 165 HZ3 LYS 44 2HZ LYS 44 4.296 12.703 7.054 166 H ASN 45 H ASN 45 2.760 9.386 -0.325 167 HA ASN 45 HA ASN 45 0.721 7.502 0.003 168 HB2 ASN 45 2HB ASN 45 0.825 7.421 -2.598 169 HB3 ASN 45 1HB ASN 45 0.384 8.928 -1.802 170 HD21 ASN 45 1HD2 ASN 45 1.736 10.674 -1.922 171 HD22 ASN 45 2HD2 ASN 45 3.127 10.727 -2.948 172 H MET 46 H MET 46 3.683 7.057 -1.961 173 HA MET 46 HA MET 46 3.335 4.281 -2.256 174 HB2 MET 46 2HB MET 46 5.606 4.239 -3.101 175 HB3 MET 46 1HB MET 46 4.755 5.645 -3.740 176 HG2 MET 46 2HG MET 46 6.496 6.854 -3.079 177 HG3 MET 46 1HG MET 46 5.934 6.589 -1.429 178 HE1 MET 46 3HE MET 46 8.233 5.196 0.381 179 HE2 MET 46 1HE MET 46 7.563 6.740 -0.153 180 HE3 MET 46 2HE MET 46 9.253 6.354 -0.469 181 H LYS 47 H LYS 47 4.867 6.214 0.207 182 HA LYS 47 HA LYS 47 6.246 4.056 1.472 183 HB2 LYS 47 2HB LYS 47 6.724 6.578 1.653 184 HB3 LYS 47 1HB LYS 47 5.423 6.606 2.837 185 HG2 LYS 47 2HG LYS 47 7.128 6.276 4.275 186 HG3 LYS 47 1HG LYS 47 6.874 4.585 3.828 187 HD2 LYS 47 2HD LYS 47 8.752 4.513 2.506 188 HD3 LYS 47 1HD LYS 47 8.715 6.246 2.177 189 HE2 LYS 47 2HE LYS 47 10.498 6.135 3.609 190 HE3 LYS 47 1HE LYS 47 9.186 6.415 4.754 191 HZ1 LYS 47 3HZ LYS 47 9.374 4.357 5.612 192 HZ2 LYS 47 1HZ LYS 47 10.958 4.459 5.012 193 HZ3 LYS 47 2HZ LYS 47 9.763 3.636 4.132 194 H ASN 48 H ASN 48 3.032 5.343 1.601 195 HA ASN 48 HA ASN 48 2.306 4.210 4.120 196 HB2 ASN 48 2HB ASN 48 0.987 5.722 1.982 197 HB3 ASN 48 1HB ASN 48 -0.058 4.549 2.762 198 HD21 ASN 48 1HD2 ASN 48 0.952 7.653 2.858 199 HD22 ASN 48 2HD2 ASN 48 0.629 8.020 4.515 200 H VAL 49 H VAL 49 2.034 3.182 0.755 201 HA VAL 49 HA VAL 49 0.504 0.841 1.381 202 HB VAL 49 HB VAL 49 2.113 1.175 -1.134 203 HG11 VAL 49 1HG1 VAL 49 -0.301 0.129 -1.802 204 HG12 VAL 49 2HG1 VAL 49 -0.079 -0.530 -0.184 205 HG13 VAL 49 3HG1 VAL 49 1.131 -0.826 -1.431 206 HG21 VAL 49 3HG2 VAL 49 -0.493 2.506 -0.416 207 HG22 VAL 49 1HG2 VAL 49 0.060 2.290 -2.077 208 HG23 VAL 49 2HG2 VAL 49 1.004 3.269 -0.954 209 H ILE 50 H ILE 50 3.918 1.470 0.631 210 HA ILE 50 HA ILE 50 4.790 -1.189 0.634 211 HB ILE 50 HB ILE 50 6.167 0.694 -0.166 212 HG12 ILE 50 2HG1 ILE 50 8.010 -0.307 1.840 213 HG13 ILE 50 1HG1 ILE 50 7.004 -1.593 1.205 214 HG21 ILE 50 1HG2 ILE 50 6.721 1.306 2.723 215 HG22 ILE 50 2HG2 ILE 50 5.556 2.200 1.749 216 HG23 ILE 50 3HG2 ILE 50 7.258 2.197 1.297 217 HD11 ILE 50 3HD1 ILE 50 8.063 0.147 -0.869 218 HD12 ILE 50 1HD1 ILE 50 8.079 -1.611 -0.739 219 HD13 ILE 50 2HD1 ILE 50 9.310 -0.658 0.079 220 H ASN 51 H ASN 51 4.196 1.058 3.259 221 HA ASN 51 HA ASN 51 5.446 -0.529 5.281 222 HB2 ASN 51 2HB ASN 51 4.914 1.999 5.321 223 HB3 ASN 51 1HB ASN 51 3.294 1.509 5.801 224 HD21 ASN 51 1HD2 ASN 51 6.700 1.111 6.654 225 HD22 ASN 51 2HD2 ASN 51 6.438 0.977 8.356 226 H ASN 52 H ASN 52 2.065 0.035 4.330 227 HA ASN 52 HA ASN 52 1.000 -1.813 6.220 228 HB2 ASN 52 2HB ASN 52 -0.222 -0.608 3.729 229 HB3 ASN 52 1HB ASN 52 -1.111 -1.548 4.923 230 HD21 ASN 52 1HD2 ASN 52 -0.473 -0.687 7.271 231 HD22 ASN 52 2HD2 ASN 52 -0.719 1.013 7.458 232 H ALA 53 H ALA 53 1.524 -1.956 2.709 233 HA ALA 53 HA ALA 53 0.571 -4.518 2.239 234 HB1 ALA 53 1HB ALA 53 1.893 -4.498 0.217 235 HB2 ALA 53 2HB ALA 53 2.899 -3.196 0.851 236 HB3 ALA 53 3HB ALA 53 1.200 -2.898 0.483 237 H LYS 54 H LYS 54 3.596 -3.467 3.630 238 HA LYS 54 HA LYS 54 4.831 -6.070 3.460 239 HB2 LYS 54 2HB LYS 54 5.602 -3.410 4.577 240 HB3 LYS 54 1HB LYS 54 6.443 -4.838 5.159 241 HG2 LYS 54 2HG LYS 54 6.955 -5.399 2.771 242 HG3 LYS 54 1HG LYS 54 6.304 -3.819 2.335 243 HD2 LYS 54 2HD LYS 54 8.079 -2.696 3.212 244 HD3 LYS 54 1HD LYS 54 8.344 -3.891 4.483 245 HE2 LYS 54 2HE LYS 54 10.177 -3.869 2.855 246 HE3 LYS 54 1HE LYS 54 9.334 -5.417 2.873 247 HZ1 LYS 54 3HZ LYS 54 9.817 -4.623 0.620 248 HZ2 LYS 54 1HZ LYS 54 8.860 -3.254 0.893 249 HZ3 LYS 54 2HZ LYS 54 8.155 -4.791 0.887 250 H LYS 55 H LYS 55 3.365 -4.060 5.983 251 HA LYS 55 HA LYS 55 3.849 -5.750 8.160 252 HB2 LYS 55 2HB LYS 55 2.898 -3.334 8.084 253 HB3 LYS 55 1HB LYS 55 1.334 -4.123 7.919 254 HG2 LYS 55 2HG LYS 55 2.662 -5.381 10.064 255 HG3 LYS 55 1HG LYS 55 2.871 -3.642 10.273 256 HD2 LYS 55 2HD LYS 55 0.170 -4.674 9.559 257 HD3 LYS 55 1HD LYS 55 0.745 -4.897 11.212 258 HE2 LYS 55 2HE LYS 55 1.005 -2.557 11.527 259 HE3 LYS 55 1HE LYS 55 0.770 -2.234 9.809 260 HZ1 LYS 55 3HZ LYS 55 -1.407 -3.610 11.154 261 HZ2 LYS 55 1HZ LYS 55 -1.455 -2.374 9.999 262 HZ3 LYS 55 2HZ LYS 55 -1.157 -2.004 11.622 263 H ASN 56 H ASN 56 1.234 -5.702 5.794 264 HA ASN 56 HA ASN 56 -0.332 -7.713 7.055 265 HB2 ASN 56 2HB ASN 56 -0.321 -6.939 4.128 266 HB3 ASN 56 1HB ASN 56 -1.621 -7.749 5.007 267 HD21 ASN 56 1HD2 ASN 56 -1.417 -5.147 3.524 268 HD22 ASN 56 2HD2 ASN 56 -2.032 -3.970 4.630 269 H LEU 57 H LEU 57 1.780 -7.792 4.181 270 HA LEU 57 HA LEU 57 1.651 -10.459 3.560 271 HB2 LEU 57 2HB LEU 57 3.317 -8.278 2.906 272 HB3 LEU 57 1HB LEU 57 4.387 -9.600 3.345 273 HG LEU 57 HG LEU 57 4.104 -9.756 1.014 274 HD11 LEU 57 1HD1 LEU 57 3.337 -11.786 2.678 275 HD12 LEU 57 2HD1 LEU 57 3.654 -11.938 0.949 276 HD13 LEU 57 3HD1 LEU 57 2.003 -11.706 1.528 277 HD21 LEU 57 3HD2 LEU 57 1.531 -10.056 0.285 278 HD22 LEU 57 1HD2 LEU 57 2.380 -8.510 0.257 279 HD23 LEU 57 2HD2 LEU 57 1.342 -8.921 1.622 280 H GLU 58 H GLU 58 4.024 -8.953 5.752 281 HA GLU 58 HA GLU 58 5.228 -11.346 6.586 282 HB2 GLU 58 2HB GLU 58 5.004 -8.649 7.923 283 HB3 GLU 58 1HB GLU 58 5.956 -9.971 8.587 284 HG2 GLU 58 2HG GLU 58 6.878 -9.857 6.028 285 HG3 GLU 58 1HG GLU 58 6.533 -8.161 6.367 286 H LYS 59 H LYS 59 2.306 -9.740 7.581 287 HA LYS 59 HA LYS 59 1.899 -10.921 10.078 288 HB2 LYS 59 2HB LYS 59 0.549 -9.080 8.812 289 HB3 LYS 59 1HB LYS 59 -0.380 -10.436 8.189 290 HG2 LYS 59 2HG LYS 59 -0.638 -11.115 10.658 291 HG3 LYS 59 1HG LYS 59 -0.130 -9.461 11.006 292 HD2 LYS 59 2HD LYS 59 -1.997 -8.544 9.906 293 HD3 LYS 59 1HD LYS 59 -2.374 -10.069 9.102 294 HE2 LYS 59 2HE LYS 59 -3.958 -9.745 10.865 295 HE3 LYS 59 1HE LYS 59 -2.869 -11.048 11.338 296 HZ1 LYS 59 3HZ LYS 59 -1.986 -9.828 13.003 297 HZ2 LYS 59 1HZ LYS 59 -3.481 -9.038 12.937 298 HZ3 LYS 59 2HZ LYS 59 -2.131 -8.358 12.178 299 H TYR 60 H TYR 60 1.297 -12.121 6.830 300 HA TYR 60 HA TYR 60 -0.067 -14.490 7.733 301 HB2 TYR 60 2HB TYR 60 1.132 -13.942 5.009 302 HB3 TYR 60 1HB TYR 60 -0.088 -15.155 5.408 303 HD1 TYR 60 1HD TYR 60 -2.399 -14.475 5.890 304 HD2 TYR 60 2HD TYR 60 0.541 -11.634 4.712 305 HE1 TYR 60 1HE TYR 60 -4.177 -12.853 5.385 306 HE2 TYR 60 2HE TYR 60 -1.228 -10.005 4.204 307 HH TYR 60 HH TYR 60 -4.283 -10.209 5.284 308 H PHE 61 H PHE 61 3.159 -13.700 6.510 309 HA PHE 61 HA PHE 61 4.143 -16.366 6.609 310 HB2 PHE 61 2HB PHE 61 5.046 -14.255 5.338 311 HB3 PHE 61 1HB PHE 61 5.944 -13.980 6.833 312 HD1 PHE 61 2HD PHE 61 5.332 -16.499 4.176 313 HD2 PHE 61 1HD PHE 61 7.938 -15.108 7.239 314 HE1 PHE 61 2HE PHE 61 7.055 -18.084 3.423 315 HE2 PHE 61 1HE PHE 61 9.668 -16.690 6.491 316 HZ PHE 61 HZ PHE 61 9.227 -18.181 4.581 317 H LYS 62 H LYS 62 3.687 -13.911 8.975 318 HA LYS 62 HA LYS 62 5.583 -15.063 10.845 319 HB2 LYS 62 2HB LYS 62 5.067 -12.566 10.609 320 HB3 LYS 62 1HB LYS 62 3.561 -12.913 11.447 321 HG2 LYS 62 2HG LYS 62 4.770 -13.692 13.384 322 HG3 LYS 62 1HG LYS 62 6.307 -13.493 12.541 323 HD2 LYS 62 2HD LYS 62 5.227 -11.014 12.267 324 HD3 LYS 62 1HD LYS 62 4.586 -11.495 13.839 325 HE2 LYS 62 2HE LYS 62 7.405 -12.143 13.526 326 HE3 LYS 62 1HE LYS 62 7.081 -10.419 13.349 327 HZ1 LYS 62 3HZ LYS 62 7.547 -11.103 15.657 328 HZ2 LYS 62 1HZ LYS 62 6.156 -12.067 15.638 329 HZ3 LYS 62 2HZ LYS 62 6.025 -10.388 15.481 330 H GLU 63 H GLU 63 2.227 -15.286 10.072 331 HA GLU 63 HA GLU 63 1.608 -16.549 12.632 332 HB2 GLU 63 2HB GLU 63 0.109 -15.054 10.666 333 HB3 GLU 63 1HB GLU 63 -0.682 -16.590 11.018 334 HG2 GLU 63 2HG GLU 63 -1.596 -15.028 12.512 335 HG3 GLU 63 1HG GLU 63 -0.469 -16.000 13.459 336 H HIS 64 H HIS 64 1.459 -17.286 9.141 337 HA HIS 64 HA HIS 64 1.293 -20.127 9.893 338 HB2 HIS 64 2HB HIS 64 -0.336 -18.562 8.088 339 HB3 HIS 64 1HB HIS 64 0.387 -19.935 7.258 340 HD1 HIS 64 1HD HIS 64 -2.674 -19.698 7.857 341 HD2 HIS 64 2HD HIS 64 0.063 -21.812 10.158 342 HE1 HIS 64 1HE HIS 64 -4.024 -21.424 9.089 343 HE2 HIS 64 2HE HIS 64 -2.334 -22.750 10.406 344 H PHE 65 H PHE 65 3.485 -18.054 8.916 345 HA PHE 65 HA PHE 65 5.281 -18.047 7.448 346 HB2 PHE 65 2HB PHE 65 5.536 -19.811 9.484 347 HB3 PHE 65 1HB PHE 65 5.787 -20.886 8.106 348 HD1 PHE 65 2HD PHE 65 7.618 -20.377 6.485 349 HD2 PHE 65 1HD PHE 65 7.201 -18.309 10.181 350 HE1 PHE 65 2HE PHE 65 9.953 -19.619 6.320 351 HE2 PHE 65 1HE PHE 65 9.534 -17.545 10.022 352 HZ PHE 65 HZ PHE 65 10.914 -18.202 8.090 353 H LYS 66 H LYS 66 4.157 -17.930 5.426 354 HA LYS 66 HA LYS 66 4.945 -19.779 3.525 355 HB2 LYS 66 2HB LYS 66 2.690 -20.793 2.955 356 HB3 LYS 66 1HB LYS 66 3.486 -21.427 4.388 357 HG2 LYS 66 2HG LYS 66 2.061 -19.737 5.688 358 HG3 LYS 66 1HG LYS 66 1.106 -19.619 4.208 359 HD2 LYS 66 2HD LYS 66 1.216 -22.281 4.426 360 HD3 LYS 66 1HD LYS 66 1.369 -21.858 6.132 361 HE2 LYS 66 2HE LYS 66 -0.773 -21.224 6.280 362 HE3 LYS 66 1HE LYS 66 -0.715 -20.354 4.747 363 HZ1 LYS 66 3HZ LYS 66 -0.677 -23.251 4.559 364 HZ2 LYS 66 1HZ LYS 66 -1.506 -22.114 3.619 365 HZ3 LYS 66 2HZ LYS 66 -2.121 -22.577 5.124 366 H GLU 67 H GLU 67 2.757 -17.279 4.524 367 HA GLU 67 HA GLU 67 1.514 -15.734 3.375 368 HB2 GLU 67 2HB GLU 67 2.890 -14.239 2.076 369 HB3 GLU 67 1HB GLU 67 3.801 -14.808 3.464 370 HG2 GLU 67 2HG GLU 67 5.436 -15.395 2.106 371 HG3 GLU 67 1HG GLU 67 4.372 -16.586 1.369 372 H PHE 68 H PHE 68 -0.097 -16.832 2.342 373 HA PHE 68 HA PHE 68 0.397 -17.845 -0.355 374 HB2 PHE 68 2HB PHE 68 -2.082 -18.570 -0.086 375 HB3 PHE 68 1HB PHE 68 -0.846 -19.423 0.832 376 HD1 PHE 68 2HD PHE 68 -2.817 -16.282 1.307 377 HD2 PHE 68 1HD PHE 68 -1.532 -19.998 2.934 378 HE1 PHE 68 2HE PHE 68 -4.024 -15.783 3.391 379 HE2 PHE 68 1HE PHE 68 -2.737 -19.505 5.021 380 HZ PHE 68 HZ PHE 68 -3.985 -17.395 5.252 381 H ASP 69 H ASP 69 0.573 -15.076 -0.139 382 HA ASP 69 HA ASP 69 -1.098 -14.222 -2.204 383 HB2 ASP 69 2HB ASP 69 -2.538 -12.601 -0.945 384 HB3 ASP 69 1HB ASP 69 -2.943 -14.291 -0.664 385 H LYS 70 H LYS 70 -0.368 -12.345 -3.061 386 HA LYS 70 HA LYS 70 1.676 -10.889 -1.517 387 HB2 LYS 70 2HB LYS 70 2.643 -10.259 -3.717 388 HB3 LYS 70 1HB LYS 70 2.658 -11.993 -3.429 389 HG2 LYS 70 2HG LYS 70 0.880 -12.359 -4.934 390 HG3 LYS 70 1HG LYS 70 0.500 -10.637 -5.017 391 HD2 LYS 70 2HD LYS 70 1.645 -11.167 -7.023 392 HD3 LYS 70 1HD LYS 70 2.799 -10.301 -6.005 393 HE2 LYS 70 2HE LYS 70 2.811 -13.206 -5.630 394 HE3 LYS 70 1HE LYS 70 3.268 -12.689 -7.253 395 HZ1 LYS 70 3HZ LYS 70 5.212 -12.822 -5.882 396 HZ2 LYS 70 1HZ LYS 70 4.521 -11.825 -4.704 397 HZ3 LYS 70 2HZ LYS 70 4.912 -11.193 -6.223 398 H ILE 71 H ILE 71 1.845 -8.569 -1.933 399 HA ILE 71 HA ILE 71 -0.721 -7.413 -2.806 400 HB ILE 71 HB ILE 71 0.994 -6.288 -0.598 401 HG12 ILE 71 2HG1 ILE 71 -1.644 -7.696 -0.264 402 HG13 ILE 71 1HG1 ILE 71 -0.115 -8.562 -0.165 403 HG21 ILE 71 1HG2 ILE 71 -0.842 -4.817 -0.183 404 HG22 ILE 71 2HG2 ILE 71 -1.859 -5.671 -1.345 405 HG23 ILE 71 3HG2 ILE 71 -0.474 -4.733 -1.906 406 HD11 ILE 71 3HD1 ILE 71 0.431 -6.647 1.575 407 HD12 ILE 71 1HD1 ILE 71 -0.439 -8.110 2.035 408 HD13 ILE 71 2HD1 ILE 71 -1.327 -6.621 1.713 409 H SER 72 H SER 72 -0.695 -5.601 -3.993 410 HA SER 72 HA SER 72 1.865 -4.323 -4.602 411 HB2 SER 72 2HB SER 72 1.818 -5.672 -6.477 412 HB3 SER 72 1HB SER 72 0.057 -5.740 -6.514 413 HG SER 72 HG SER 72 0.766 -4.447 -8.199 414 H TYR 73 H TYR 73 1.522 -2.244 -5.830 415 HA TYR 73 HA TYR 73 -1.112 -1.058 -5.452 416 HB2 TYR 73 2HB TYR 73 -0.321 0.776 -4.126 417 HB3 TYR 73 1HB TYR 73 0.193 -0.715 -3.351 418 HD1 TYR 73 2HD TYR 73 2.562 -1.402 -3.421 419 HD2 TYR 73 1HD TYR 73 1.281 2.342 -4.983 420 HE1 TYR 73 2HE TYR 73 4.889 -0.607 -3.406 421 HE2 TYR 73 1HE TYR 73 3.604 3.147 -4.974 422 HH TYR 73 HH TYR 73 6.276 1.050 -4.435 423 H ASP 74 H ASP 74 -1.320 1.069 -6.468 424 HA ASP 74 HA ASP 74 0.737 1.778 -8.403 425 HB2 ASP 74 2HB ASP 74 -1.061 0.072 -9.339 426 HB3 ASP 74 1HB ASP 74 -2.041 1.529 -9.483 427 H ILE 75 H ILE 75 0.950 3.911 -8.490 428 HA ILE 75 HA ILE 75 -1.196 5.569 -7.370 429 HB ILE 75 HB ILE 75 0.898 5.863 -6.234 430 HG12 ILE 75 2HG1 ILE 75 1.122 8.331 -7.794 431 HG13 ILE 75 1HG1 ILE 75 -0.533 7.934 -7.361 432 HG21 ILE 75 1HG2 ILE 75 2.655 7.030 -8.041 433 HG22 ILE 75 2HG2 ILE 75 1.991 5.640 -8.898 434 HG23 ILE 75 3HG2 ILE 75 2.775 5.419 -7.335 435 HD11 ILE 75 3HD1 ILE 75 1.769 8.583 -5.602 436 HD12 ILE 75 1HD1 ILE 75 0.450 7.601 -4.981 437 HD13 ILE 75 2HD1 ILE 75 0.134 9.223 -5.585 438 H SER 76 H SER 76 -2.462 6.616 -8.745 439 HA SER 76 HA SER 76 -1.294 7.631 -11.242 440 HB2 SER 76 2HB SER 76 -4.094 7.014 -11.598 441 HB3 SER 76 1HB SER 76 -2.702 6.437 -12.512 442 HG SER 76 HG SER 76 -4.008 5.264 -10.344 443 H THR 77 H THR 77 -1.534 9.089 -8.895 444 HA THR 77 HA THR 77 -3.933 10.567 -8.719 445 HB THR 77 HB THR 77 -1.132 11.213 -7.797 446 HG1 THR 77 1HG THR 77 -1.656 9.918 -6.261 447 HG21 THR 77 3HG2 THR 77 -3.560 12.837 -7.691 448 HG22 THR 77 1HG2 THR 77 -1.870 13.298 -7.492 449 HG23 THR 77 2HG2 THR 77 -2.757 12.599 -6.137 450 HA PRO 78 HA PRO 78 -1.652 13.968 -11.309 451 HB2 PRO 78 2HB PRO 78 0.497 13.140 -12.772 452 HB3 PRO 78 1HB PRO 78 0.629 13.840 -11.153 453 HG2 PRO 78 2HG PRO 78 0.663 10.968 -11.969 454 HG3 PRO 78 1HG PRO 78 1.692 11.811 -10.797 455 HD2 PRO 78 2HD PRO 78 -0.389 10.286 -10.037 456 HD3 PRO 78 1HD PRO 78 0.070 11.745 -9.156 457 H ILE 79 H ILE 79 -1.852 10.652 -12.347 458 HA ILE 79 HA ILE 79 -2.477 11.366 -15.096 459 HB ILE 79 HB ILE 79 -2.650 8.632 -13.826 460 HG12 ILE 79 2HG1 ILE 79 -0.397 9.614 -13.523 461 HG13 ILE 79 1HG1 ILE 79 -0.387 8.229 -14.612 462 HG21 ILE 79 1HG2 ILE 79 -2.273 7.898 -16.175 463 HG22 ILE 79 2HG2 ILE 79 -2.445 9.578 -16.680 464 HG23 ILE 79 3HG2 ILE 79 -3.794 8.734 -15.918 465 HD11 ILE 79 3HD1 ILE 79 1.025 9.821 -15.589 466 HD12 ILE 79 1HD1 ILE 79 -0.126 11.137 -15.290 467 HD13 ILE 79 2HD1 ILE 79 -0.487 9.907 -16.504 468 H ASN 80 H ASN 80 -4.115 10.291 -12.179 469 HA ASN 80 HA ASN 80 -6.594 11.334 -12.967 470 HB2 ASN 80 2HB ASN 80 -6.044 8.673 -13.939 471 HB3 ASN 80 1HB ASN 80 -7.429 8.658 -12.854 472 HD21 ASN 80 1HD2 ASN 80 -8.418 8.003 -14.965 473 HD22 ASN 80 2HD2 ASN 80 -9.038 9.264 -15.961 474 H PHE 81 H PHE 81 -6.195 8.201 -11.364 475 HA PHE 81 HA PHE 81 -6.615 9.503 -8.769 476 HB2 PHE 81 2HB PHE 81 -8.417 7.598 -10.140 477 HB3 PHE 81 1HB PHE 81 -8.141 7.302 -8.429 478 HD1 PHE 81 1HD PHE 81 -8.957 10.126 -10.724 479 HD2 PHE 81 2HD PHE 81 -9.533 8.314 -6.917 480 HE1 PHE 81 1HE PHE 81 -10.616 11.855 -10.159 481 HE2 PHE 81 2HE PHE 81 -11.196 10.041 -6.345 482 HZ PHE 81 HZ PHE 81 -11.733 11.809 -7.966 483 H LEU 82 H LEU 82 -6.414 7.862 -6.939 484 HA LEU 82 HA LEU 82 -4.012 6.264 -7.429 485 HB2 LEU 82 2HB LEU 82 -4.242 8.045 -5.576 486 HB3 LEU 82 1HB LEU 82 -5.232 6.860 -4.746 487 HG LEU 82 HG LEU 82 -3.153 5.294 -5.124 488 HD11 LEU 82 1HD1 LEU 82 -2.156 7.359 -6.453 489 HD12 LEU 82 2HD1 LEU 82 -1.138 6.262 -5.522 490 HD13 LEU 82 3HD1 LEU 82 -1.616 7.814 -4.838 491 HD21 LEU 82 3HD2 LEU 82 -2.787 5.556 -2.922 492 HD22 LEU 82 1HD2 LEU 82 -4.169 6.644 -3.001 493 HD23 LEU 82 2HD2 LEU 82 -2.530 7.292 -3.061 494 H CYS 83 H CYS 83 -4.341 4.166 -7.853 495 HA CYS 83 HA CYS 83 -6.494 2.784 -6.390 496 HB2 CYS 83 2HB CYS 83 -6.669 1.297 -8.443 497 HB3 CYS 83 1HB CYS 83 -7.291 2.934 -8.616 498 HG CYS 83 HG CYS 83 -4.577 3.095 -9.657 499 H ILE 84 H ILE 84 -5.981 0.945 -5.381 500 HA ILE 84 HA ILE 84 -3.210 0.025 -5.629 501 HB ILE 84 HB ILE 84 -4.932 0.419 -3.388 502 HG12 ILE 84 2HG1 ILE 84 -2.085 -0.461 -3.803 503 HG13 ILE 84 1HG1 ILE 84 -2.682 1.112 -3.285 504 HG21 ILE 84 1HG2 ILE 84 -4.705 -1.692 -2.199 505 HG22 ILE 84 2HG2 ILE 84 -3.951 -2.425 -3.614 506 HG23 ILE 84 3HG2 ILE 84 -5.636 -1.913 -3.680 507 HD11 ILE 84 3HD1 ILE 84 -3.573 -0.617 -1.322 508 HD12 ILE 84 1HD1 ILE 84 -2.186 0.470 -1.224 509 HD13 ILE 84 2HD1 ILE 84 -1.959 -1.207 -1.723 510 H PHE 85 H PHE 85 -2.695 -2.126 -5.963 511 HA PHE 85 HA PHE 85 -4.914 -3.902 -6.718 512 HB2 PHE 85 2HB PHE 85 -2.666 -2.958 -8.355 513 HB3 PHE 85 1HB PHE 85 -2.864 -4.708 -8.364 514 HD1 PHE 85 1HD PHE 85 -4.982 -5.705 -9.155 515 HD2 PHE 85 2HD PHE 85 -4.203 -1.533 -9.463 516 HE1 PHE 85 1HE PHE 85 -6.793 -5.494 -10.806 517 HE2 PHE 85 2HE PHE 85 -6.013 -1.313 -11.115 518 HZ PHE 85 HZ PHE 85 -7.312 -3.295 -11.788 519 H ILE 86 H ILE 86 -4.890 -5.354 -5.114 520 HA ILE 86 HA ILE 86 -2.314 -6.425 -4.207 521 HB ILE 86 HB ILE 86 -3.588 -5.648 -2.370 522 HG12 ILE 86 2HG1 ILE 86 -3.986 -8.647 -2.534 523 HG13 ILE 86 1HG1 ILE 86 -2.507 -7.840 -2.021 524 HG21 ILE 86 1HG2 ILE 86 -5.762 -5.347 -2.927 525 HG22 ILE 86 2HG2 ILE 86 -5.935 -6.878 -2.071 526 HG23 ILE 86 3HG2 ILE 86 -5.857 -6.858 -3.832 527 HD11 ILE 86 3HD1 ILE 86 -3.969 -8.724 -0.186 528 HD12 ILE 86 1HD1 ILE 86 -5.140 -7.479 -0.623 529 HD13 ILE 86 2HD1 ILE 86 -3.535 -7.018 -0.057 530 HA PRO 87 HA PRO 87 -3.632 -9.965 -6.721 531 HB2 PRO 87 2HB PRO 87 -0.882 -10.779 -6.845 532 HB3 PRO 87 1HB PRO 87 -1.871 -10.063 -8.121 533 HG2 PRO 87 2HG PRO 87 0.278 -8.820 -6.924 534 HG3 PRO 87 1HG PRO 87 -1.040 -7.976 -7.753 535 HD2 PRO 87 2HD PRO 87 -0.610 -8.413 -4.824 536 HD3 PRO 87 1HD PRO 87 -1.233 -6.984 -5.675 537 H THR 88 H THR 88 -4.579 -11.447 -5.456 538 HA THR 88 HA THR 88 -2.845 -13.023 -3.671 539 HB THR 88 HB THR 88 -4.374 -11.655 -2.350 540 HG1 THR 88 1HG THR 88 -5.117 -14.391 -2.419 541 HG21 THR 88 3HG2 THR 88 -6.715 -11.761 -2.462 542 HG22 THR 88 1HG2 THR 88 -6.682 -13.109 -3.596 543 HG23 THR 88 2HG2 THR 88 -6.167 -11.505 -4.118 544 H LEU 89 H LEU 89 -2.479 -14.871 -4.716 545 HA LEU 89 HA LEU 89 -3.962 -16.028 -6.735 546 HB2 LEU 89 2HB LEU 89 -1.630 -16.627 -5.559 547 HB3 LEU 89 1HB LEU 89 -2.625 -17.880 -4.843 548 HG LEU 89 HG LEU 89 -3.327 -18.415 -7.276 549 HD11 LEU 89 1HD1 LEU 89 -0.680 -17.143 -7.894 550 HD12 LEU 89 2HD1 LEU 89 -2.204 -16.283 -8.104 551 HD13 LEU 89 3HD1 LEU 89 -1.893 -17.763 -9.012 552 HD21 LEU 89 3HD2 LEU 89 -2.143 -20.128 -6.384 553 HD22 LEU 89 1HD2 LEU 89 -0.839 -19.082 -5.821 554 HD23 LEU 89 2HD2 LEU 89 -0.920 -19.554 -7.518 555 H PHE 90 H PHE 90 -4.459 -16.246 -3.279 556 HA PHE 90 HA PHE 90 -6.156 -17.083 -2.030 557 HB2 PHE 90 2HB PHE 90 -7.652 -15.866 -3.472 558 HB3 PHE 90 1HB PHE 90 -7.561 -17.114 -4.709 559 HD1 PHE 90 2HD PHE 90 -8.499 -19.408 -4.153 560 HD2 PHE 90 1HD PHE 90 -9.271 -15.945 -1.803 561 HE1 PHE 90 2HE PHE 90 -10.463 -20.518 -3.170 562 HE2 PHE 90 1HE PHE 90 -11.236 -17.049 -0.815 563 HZ PHE 90 HZ PHE 90 -11.834 -19.338 -1.499 564 H ASP 91 H ASP 91 -6.525 -19.010 -1.161 565 HA ASP 91 HA ASP 91 -7.036 -21.405 -2.513 566 HB2 ASP 91 2HB ASP 91 -4.452 -20.794 -2.951 567 HB3 ASP 91 1HB ASP 91 -4.288 -21.641 -1.411 568 H MET 92 H MET 92 -4.973 -20.464 0.241 569 HA MET 92 HA MET 92 -6.829 -21.922 2.005 570 HB2 MET 92 2HB MET 92 -4.301 -22.739 1.513 571 HB3 MET 92 1HB MET 92 -4.008 -21.645 2.866 572 HG2 MET 92 2HG MET 92 -6.173 -23.677 3.088 573 HG3 MET 92 1HG MET 92 -4.494 -24.186 3.257 574 HE1 MET 92 3HE MET 92 -6.508 -24.280 6.363 575 HE2 MET 92 1HE MET 92 -7.263 -23.917 4.810 576 HE3 MET 92 2HE MET 92 -7.312 -22.731 6.114 577 H ASN 93 H ASN 93 -6.828 -19.108 1.272 578 HA ASN 93 HA ASN 93 -5.944 -17.791 3.732 579 HB2 ASN 93 2HB ASN 93 -6.367 -15.691 2.535 580 HB3 ASN 93 1HB ASN 93 -5.298 -16.740 1.609 581 HD21 ASN 93 1HD2 ASN 93 -8.011 -14.833 1.501 582 HD22 ASN 93 2HD2 ASN 93 -8.682 -15.396 0.013 583 H ASN 94 H ASN 94 -8.828 -18.549 1.880 584 HA ASN 94 HA ASN 94 -11.043 -18.468 2.389 585 HB2 ASN 94 2HB ASN 94 -9.717 -18.729 5.030 586 HB3 ASN 94 1HB ASN 94 -11.400 -18.210 5.048 587 HD21 ASN 94 1HD2 ASN 94 -9.199 -20.747 4.067 588 HD22 ASN 94 2HD2 ASN 94 -10.387 -21.996 3.955 589 H MET 95 H MET 95 -10.646 -16.276 1.307 590 HA MET 95 HA MET 95 -11.285 -14.103 1.105 591 HB2 MET 95 2HB MET 95 -13.064 -15.207 2.975 592 HB3 MET 95 1HB MET 95 -12.546 -13.679 3.675 593 HG2 MET 95 2HG MET 95 -13.161 -12.563 1.545 594 HG3 MET 95 1HG MET 95 -13.812 -14.100 0.979 595 HE1 MET 95 3HE MET 95 -15.825 -14.580 0.891 596 HE2 MET 95 1HE MET 95 -16.773 -13.092 0.895 597 HE3 MET 95 2HE MET 95 -17.125 -14.365 2.064 598 H ASP 96 H ASP 96 -9.309 -13.128 1.170 599 HA ASP 96 HA ASP 96 -7.622 -12.806 3.333 600 HB2 ASP 96 2HB ASP 96 -7.554 -12.058 0.709 601 HB3 ASP 96 1HB ASP 96 -7.706 -10.496 1.506 602 H LEU 97 H LEU 97 -7.026 -10.386 4.055 603 HA LEU 97 HA LEU 97 -9.496 -9.301 5.237 604 HB2 LEU 97 2HB LEU 97 -6.906 -9.986 6.361 605 HB3 LEU 97 1HB LEU 97 -7.355 -8.332 6.728 606 HG LEU 97 HG LEU 97 -8.033 -9.908 8.493 607 HD11 LEU 97 1HD1 LEU 97 -9.352 -7.789 7.733 608 HD12 LEU 97 2HD1 LEU 97 -10.051 -8.892 8.918 609 HD13 LEU 97 3HD1 LEU 97 -10.566 -8.965 7.232 610 HD21 LEU 97 3HD2 LEU 97 -9.266 -11.764 8.151 611 HD22 LEU 97 1HD2 LEU 97 -8.614 -11.642 6.517 612 HD23 LEU 97 2HD2 LEU 97 -10.227 -11.021 6.871 613 H LEU 98 H LEU 98 -9.727 -8.029 3.259 614 HA LEU 98 HA LEU 98 -7.794 -6.019 2.619 615 HB2 LEU 98 2HB LEU 98 -10.680 -5.964 1.790 616 HB3 LEU 98 1HB LEU 98 -9.291 -5.309 0.944 617 HG LEU 98 HG LEU 98 -8.985 -8.156 1.263 618 HD11 LEU 98 1HD1 LEU 98 -10.884 -9.060 0.443 619 HD12 LEU 98 2HD1 LEU 98 -11.264 -7.646 -0.539 620 HD13 LEU 98 3HD1 LEU 98 -11.615 -7.639 1.189 621 HD21 LEU 98 3HD2 LEU 98 -9.519 -6.990 -1.388 622 HD22 LEU 98 1HD2 LEU 98 -8.178 -7.993 -0.834 623 HD23 LEU 98 2HD2 LEU 98 -8.189 -6.265 -0.485 624 H LYS 99 H LYS 99 -10.084 -6.291 5.065 625 HA LYS 99 HA LYS 99 -11.164 -3.749 5.311 626 HB2 LYS 99 2HB LYS 99 -10.548 -5.959 7.206 627 HB3 LYS 99 1HB LYS 99 -10.937 -4.386 7.886 628 HG2 LYS 99 2HG LYS 99 -12.932 -4.673 6.073 629 HG3 LYS 99 1HG LYS 99 -12.661 -6.348 6.556 630 HD2 LYS 99 2HD LYS 99 -14.098 -5.805 8.215 631 HD3 LYS 99 1HD LYS 99 -12.638 -5.162 8.970 632 HE2 LYS 99 2HE LYS 99 -13.292 -3.025 8.719 633 HE3 LYS 99 1HE LYS 99 -14.008 -3.322 7.135 634 HZ1 LYS 99 3HZ LYS 99 -15.518 -2.748 9.134 635 HZ2 LYS 99 1HZ LYS 99 -15.322 -4.377 9.547 636 HZ3 LYS 99 2HZ LYS 99 -15.997 -3.960 8.055 637 H GLN 100 H GLN 100 -7.917 -4.806 5.820 638 HA GLN 100 HA GLN 100 -7.149 -2.626 7.520 639 HB2 GLN 100 2HB GLN 100 -5.985 -5.058 6.617 640 HB3 GLN 100 1HB GLN 100 -4.893 -3.752 6.175 641 HG2 GLN 100 2HG GLN 100 -5.632 -3.162 8.777 642 HG3 GLN 100 1HG GLN 100 -5.445 -4.915 8.764 643 HE21 GLN 100 1HE2 GLN 100 -3.523 -5.434 9.503 644 HE22 GLN 100 2HE2 GLN 100 -2.032 -4.649 9.117 645 H ALA 101 H ALA 101 -6.533 -3.460 4.122 646 HA ALA 101 HA ALA 101 -5.087 -1.209 3.396 647 HB1 ALA 101 1HB ALA 101 -6.552 -3.324 2.033 648 HB2 ALA 101 2HB ALA 101 -5.008 -2.573 1.630 649 HB3 ALA 101 3HB ALA 101 -6.517 -1.810 1.128 650 H LEU 102 H LEU 102 -8.598 -1.675 3.503 651 HA LEU 102 HA LEU 102 -9.167 0.894 2.373 652 HB2 LEU 102 2HB LEU 102 -11.497 0.404 2.991 653 HB3 LEU 102 1HB LEU 102 -10.753 -0.872 2.055 654 HG LEU 102 HG LEU 102 -10.299 -1.902 4.445 655 HD11 LEU 102 1HD1 LEU 102 -11.488 -1.132 6.174 656 HD12 LEU 102 2HD1 LEU 102 -12.923 -0.846 5.184 657 HD13 LEU 102 3HD1 LEU 102 -11.625 0.346 5.225 658 HD21 LEU 102 3HD2 LEU 102 -11.513 -3.213 2.993 659 HD22 LEU 102 1HD2 LEU 102 -12.730 -1.978 2.727 660 HD23 LEU 102 2HD2 LEU 102 -12.707 -2.883 4.241 661 H LEU 103 H LEU 103 -9.056 -0.405 5.672 662 HA LEU 103 HA LEU 103 -10.101 1.950 6.870 663 HB2 LEU 103 2HB LEU 103 -9.787 0.932 8.909 664 HB3 LEU 103 1HB LEU 103 -9.953 -0.441 7.839 665 HG LEU 103 HG LEU 103 -7.351 -0.401 7.783 666 HD11 LEU 103 1HD1 LEU 103 -6.734 0.350 10.274 667 HD12 LEU 103 2HD1 LEU 103 -8.001 1.526 9.926 668 HD13 LEU 103 3HD1 LEU 103 -6.584 1.422 8.882 669 HD21 LEU 103 3HD2 LEU 103 -7.283 -1.828 9.773 670 HD22 LEU 103 1HD2 LEU 103 -8.680 -2.190 8.761 671 HD23 LEU 103 2HD2 LEU 103 -8.881 -1.249 10.238 672 H ILE 104 H ILE 104 -6.990 1.079 5.699 673 HA ILE 104 HA ILE 104 -5.562 3.024 7.285 674 HB ILE 104 HB ILE 104 -4.667 1.414 4.888 675 HG12 ILE 104 2HG1 ILE 104 -3.656 0.965 7.656 676 HG13 ILE 104 1HG1 ILE 104 -5.273 0.387 7.272 677 HG21 ILE 104 1HG2 ILE 104 -2.400 2.107 6.227 678 HG22 ILE 104 2HG2 ILE 104 -3.380 3.562 6.414 679 HG23 ILE 104 3HG2 ILE 104 -3.023 2.940 4.803 680 HD11 ILE 104 3HD1 ILE 104 -2.708 -0.726 6.589 681 HD12 ILE 104 1HD1 ILE 104 -3.700 -0.472 5.153 682 HD13 ILE 104 2HD1 ILE 104 -4.315 -1.447 6.487 683 H LEU 105 H LEU 105 -6.684 2.741 3.926 684 HA LEU 105 HA LEU 105 -5.586 5.237 3.107 685 HB2 LEU 105 2HB LEU 105 -6.764 4.929 1.066 686 HB3 LEU 105 1HB LEU 105 -6.156 3.360 1.565 687 HG LEU 105 HG LEU 105 -8.551 3.080 2.596 688 HD11 LEU 105 1HD1 LEU 105 -10.086 4.252 0.762 689 HD12 LEU 105 2HD1 LEU 105 -8.808 5.464 0.858 690 HD13 LEU 105 3HD1 LEU 105 -9.703 5.012 2.307 691 HD21 LEU 105 3HD2 LEU 105 -8.295 2.971 -0.394 692 HD22 LEU 105 1HD2 LEU 105 -9.209 1.902 0.670 693 HD23 LEU 105 2HD2 LEU 105 -7.447 1.849 0.667 694 H HIS 106 H HIS 106 -8.574 4.254 4.597 695 HA HIS 106 HA HIS 106 -9.979 6.690 4.040 696 HB2 HIS 106 2HB HIS 106 -10.725 4.191 4.912 697 HB3 HIS 106 1HB HIS 106 -10.891 5.160 6.370 698 HD1 HIS 106 1HD HIS 106 -11.753 6.003 2.759 699 HD2 HIS 106 2HD HIS 106 -13.527 5.738 6.507 700 HE1 HIS 106 1HE HIS 106 -14.124 6.786 2.438 701 HE2 HIS 106 2HE HIS 106 -15.205 6.526 4.700 702 H ASN 107 H ASN 107 -8.493 5.321 6.969 703 HA ASN 107 HA ASN 107 -8.947 7.494 8.658 704 HB2 ASN 107 2HB ASN 107 -7.110 5.167 8.642 705 HB3 ASN 107 1HB ASN 107 -6.645 6.516 9.674 706 HD21 ASN 107 1HD2 ASN 107 -6.975 5.336 11.546 707 HD22 ASN 107 2HD2 ASN 107 -8.558 4.943 12.120 708 H ASP 108 H ASP 108 -6.362 6.870 6.354 709 HA ASP 108 HA ASP 108 -4.717 9.049 7.146 710 HB2 ASP 108 2HB ASP 108 -4.239 6.909 5.633 711 HB3 ASP 108 1HB ASP 108 -4.647 8.039 4.342 712 H LEU 109 H LEU 109 -7.379 8.679 4.911 713 HA LEU 109 HA LEU 109 -7.003 11.253 3.678 714 HB2 LEU 109 2HB LEU 109 -8.450 8.944 3.083 715 HB3 LEU 109 1HB LEU 109 -9.677 10.155 3.416 716 HG LEU 109 HG LEU 109 -7.456 10.442 1.390 717 HD11 LEU 109 1HD1 LEU 109 -8.869 8.904 0.414 718 HD12 LEU 109 2HD1 LEU 109 -9.550 10.426 -0.146 719 HD13 LEU 109 3HD1 LEU 109 -10.307 9.567 1.194 720 HD21 LEU 109 3HD2 LEU 109 -8.142 12.555 0.991 721 HD22 LEU 109 1HD2 LEU 109 -8.687 12.467 2.667 722 HD23 LEU 109 2HD2 LEU 109 -9.833 12.195 1.353 723 H HIS 110 H HIS 110 -8.910 9.932 6.304 724 HA HIS 110 HA HIS 110 -10.643 12.155 6.633 725 HB2 HIS 110 2HB HIS 110 -10.099 9.645 7.993 726 HB3 HIS 110 1HB HIS 110 -10.375 10.950 9.142 727 HD1 HIS 110 1HD HIS 110 -12.349 8.537 8.639 728 HD2 HIS 110 2HD HIS 110 -12.718 12.358 7.056 729 HE1 HIS 110 1HE HIS 110 -14.794 8.811 8.104 730 HE2 HIS 110 2HE HIS 110 -15.003 11.160 7.231 731 H GLU 111 H GLU 111 -7.420 11.404 7.772 732 HA GLU 111 HA GLU 111 -7.324 13.445 9.762 733 HB2 GLU 111 2HB GLU 111 -5.828 11.299 9.391 734 HB3 GLU 111 1HB GLU 111 -4.855 12.408 8.427 735 HG2 GLU 111 2HG GLU 111 -5.028 13.923 10.561 736 HG3 GLU 111 1HG GLU 111 -5.349 12.384 11.359 737 H TYR 112 H TYR 112 -5.556 13.187 6.668 738 HA TYR 112 HA TYR 112 -6.253 15.720 5.708 739 HB2 TYR 112 2HB TYR 112 -4.361 15.842 7.802 740 HB3 TYR 112 1HB TYR 112 -3.475 16.172 6.310 741 HD1 TYR 112 1HD TYR 112 -4.263 18.038 4.824 742 HD2 TYR 112 2HD TYR 112 -5.785 17.460 8.753 743 HE1 TYR 112 1HE TYR 112 -5.103 20.352 4.832 744 HE2 TYR 112 2HE TYR 112 -6.628 19.773 8.774 745 HH TYR 112 HH TYR 112 -5.746 22.075 6.397 746 H VAL 113 H VAL 113 -3.378 13.628 5.960 747 HA VAL 113 HA VAL 113 -1.909 12.889 4.370 748 HB VAL 113 HB VAL 113 -3.732 11.288 4.143 749 HG11 VAL 113 1HG1 VAL 113 -5.346 11.576 2.238 750 HG12 VAL 113 2HG1 VAL 113 -4.818 13.262 2.146 751 HG13 VAL 113 3HG1 VAL 113 -5.584 12.657 3.614 752 HG21 VAL 113 3HG2 VAL 113 -1.668 11.514 2.494 753 HG22 VAL 113 1HG2 VAL 113 -2.962 11.763 1.314 754 HG23 VAL 113 2HG2 VAL 113 -2.915 10.278 2.265 755 H GLU 114 H GLU 114 -1.831 15.540 4.189 756 HA GLU 114 HA GLU 114 -2.196 16.235 1.363 757 HB2 GLU 114 2HB GLU 114 -2.622 17.666 3.755 758 HB3 GLU 114 1HB GLU 114 -1.232 18.420 2.993 759 HG2 GLU 114 2HG GLU 114 -2.622 19.548 1.698 760 HG3 GLU 114 1HG GLU 114 -3.085 18.022 0.937 Start of MODEL 18 1 H THR 26 H THR 26 -6.415 -14.948 -9.164 2 HA THR 26 HA THR 26 -8.827 -16.598 -9.376 3 HB THR 26 HB THR 26 -7.187 -16.195 -6.884 4 HG1 THR 26 1HG THR 26 -6.689 -17.915 -9.068 5 HG21 THR 26 3HG2 THR 26 -7.964 -18.810 -6.993 6 HG22 THR 26 1HG2 THR 26 -9.352 -17.969 -7.683 7 HG23 THR 26 2HG2 THR 26 -8.768 -17.535 -6.077 8 H SER 27 H SER 27 -7.567 -14.198 -7.051 9 HA SER 27 HA SER 27 -10.212 -12.929 -7.035 10 HB2 SER 27 2HB SER 27 -9.477 -14.575 -5.004 11 HB3 SER 27 1HB SER 27 -8.849 -13.038 -4.415 12 H LYS 28 H LYS 28 -9.148 -11.357 -8.377 13 HA LYS 28 HA LYS 28 -6.980 -9.818 -7.240 14 HB2 LYS 28 2HB LYS 28 -7.044 -10.253 -9.653 15 HB3 LYS 28 1HB LYS 28 -8.578 -9.401 -9.772 16 HG2 LYS 28 2HG LYS 28 -6.970 -7.539 -8.577 17 HG3 LYS 28 1HG LYS 28 -5.855 -8.362 -9.668 18 HD2 LYS 28 2HD LYS 28 -8.268 -7.939 -11.088 19 HD3 LYS 28 1HD LYS 28 -7.863 -6.425 -10.279 20 HE2 LYS 28 2HE LYS 28 -5.804 -6.257 -11.369 21 HE3 LYS 28 1HE LYS 28 -5.801 -7.963 -11.819 22 HZ1 LYS 28 3HZ LYS 28 -6.456 -7.134 -13.789 23 HZ2 LYS 28 1HZ LYS 28 -7.072 -5.703 -13.125 24 HZ3 LYS 28 2HZ LYS 28 -7.989 -7.123 -13.074 25 H GLN 29 H GLN 29 -7.300 -8.248 -5.822 26 HA GLN 29 HA GLN 29 -9.820 -6.726 -5.961 27 HB2 GLN 29 2HB GLN 29 -9.308 -8.274 -3.904 28 HB3 GLN 29 1HB GLN 29 -8.248 -6.950 -3.419 29 HG2 GLN 29 2HG GLN 29 -10.042 -6.087 -2.435 30 HG3 GLN 29 1HG GLN 29 -10.580 -5.656 -4.057 31 HE21 GLN 29 1HE2 GLN 29 -12.551 -5.874 -2.411 32 HE22 GLN 29 2HE2 GLN 29 -13.401 -7.370 -2.557 33 H GLU 30 H GLU 30 -9.739 -4.523 -5.768 34 HA GLU 30 HA GLU 30 -7.072 -3.305 -5.583 35 HB2 GLU 30 2HB GLU 30 -7.453 -1.934 -7.479 36 HB3 GLU 30 1HB GLU 30 -7.889 -3.568 -7.958 37 HG2 GLU 30 2HG GLU 30 -10.284 -2.680 -7.128 38 HG3 GLU 30 1HG GLU 30 -9.565 -1.165 -7.675 39 H LEU 31 H LEU 31 -6.947 -1.592 -4.280 40 HA LEU 31 HA LEU 31 -9.447 -0.540 -3.159 41 HB2 LEU 31 2HB LEU 31 -6.611 -0.392 -2.130 42 HB3 LEU 31 1HB LEU 31 -7.997 0.335 -1.340 43 HG LEU 31 HG LEU 31 -8.791 -2.283 -1.608 44 HD11 LEU 31 1HD1 LEU 31 -5.883 -2.315 -0.825 45 HD12 LEU 31 2HD1 LEU 31 -6.504 -2.857 -2.384 46 HD13 LEU 31 3HD1 LEU 31 -6.984 -3.689 -0.905 47 HD21 LEU 31 3HD2 LEU 31 -9.152 -0.997 0.367 48 HD22 LEU 31 1HD2 LEU 31 -7.420 -0.874 0.673 49 HD23 LEU 31 2HD2 LEU 31 -8.234 -2.431 0.824 50 H ILE 32 H ILE 32 -9.929 1.626 -3.187 51 HA ILE 32 HA ILE 32 -8.358 3.232 -5.063 52 HB ILE 32 HB ILE 32 -11.057 3.890 -3.903 53 HG12 ILE 32 2HG1 ILE 32 -11.198 1.772 -5.108 54 HG13 ILE 32 1HG1 ILE 32 -11.996 3.041 -6.019 55 HG21 ILE 32 1HG2 ILE 32 -9.380 5.011 -6.119 56 HG22 ILE 32 2HG2 ILE 32 -10.145 5.856 -4.771 57 HG23 ILE 32 3HG2 ILE 32 -11.127 5.232 -6.094 58 HD11 ILE 32 3HD1 ILE 32 -9.253 2.863 -6.809 59 HD12 ILE 32 1HD1 ILE 32 -10.710 2.650 -7.772 60 HD13 ILE 32 2HD1 ILE 32 -10.026 1.281 -6.910 61 H LEU 33 H LEU 33 -7.057 4.794 -4.387 62 HA LEU 33 HA LEU 33 -7.458 5.885 -1.679 63 HB2 LEU 33 2HB LEU 33 -5.033 4.956 -3.102 64 HB3 LEU 33 1HB LEU 33 -4.858 6.422 -2.146 65 HG LEU 33 HG LEU 33 -6.167 4.121 -0.809 66 HD11 LEU 33 1HD1 LEU 33 -4.412 2.723 -0.730 67 HD12 LEU 33 2HD1 LEU 33 -3.234 4.035 -0.708 68 HD13 LEU 33 3HD1 LEU 33 -3.947 3.515 -2.236 69 HD21 LEU 33 3HD2 LEU 33 -4.612 4.965 1.019 70 HD22 LEU 33 1HD2 LEU 33 -5.899 6.053 0.500 71 HD23 LEU 33 2HD2 LEU 33 -4.248 6.310 -0.065 72 H VAL 34 H VAL 34 -6.671 8.109 -1.374 73 HA VAL 34 HA VAL 34 -6.360 9.738 -3.748 74 HB VAL 34 HB VAL 34 -8.668 10.311 -1.889 75 HG11 VAL 34 1HG1 VAL 34 -7.316 12.074 -3.375 76 HG12 VAL 34 2HG1 VAL 34 -9.053 12.197 -3.084 77 HG13 VAL 34 3HG1 VAL 34 -8.458 11.495 -4.588 78 HG21 VAL 34 3HG2 VAL 34 -9.200 8.314 -3.128 79 HG22 VAL 34 1HG2 VAL 34 -8.682 9.070 -4.638 80 HG23 VAL 34 2HG2 VAL 34 -10.113 9.670 -3.801 81 H LEU 35 H LEU 35 -4.810 11.103 -3.308 82 HA LEU 35 HA LEU 35 -4.478 12.059 -0.553 83 HB2 LEU 35 2HB LEU 35 -2.717 10.624 -2.098 84 HB3 LEU 35 1HB LEU 35 -2.178 12.277 -2.355 85 HG LEU 35 HG LEU 35 -0.906 11.417 -0.548 86 HD11 LEU 35 1HD1 LEU 35 -2.139 12.748 1.432 87 HD12 LEU 35 2HD1 LEU 35 -2.981 13.415 0.032 88 HD13 LEU 35 3HD1 LEU 35 -1.224 13.532 0.144 89 HD21 LEU 35 3HD2 LEU 35 -2.749 9.619 -0.102 90 HD22 LEU 35 1HD2 LEU 35 -3.326 10.791 1.082 91 HD23 LEU 35 2HD2 LEU 35 -1.692 10.144 1.200 92 H LYS 36 H LYS 36 -5.818 13.878 -0.859 93 HA LYS 36 HA LYS 36 -4.544 16.026 -2.396 94 HB2 LYS 36 2HB LYS 36 -6.762 14.802 -3.367 95 HB3 LYS 36 1HB LYS 36 -7.497 16.066 -2.387 96 HG2 LYS 36 2HG LYS 36 -7.308 17.078 -4.446 97 HG3 LYS 36 1HG LYS 36 -5.854 17.641 -3.620 98 HD2 LYS 36 2HD LYS 36 -4.477 16.160 -4.809 99 HD3 LYS 36 1HD LYS 36 -5.841 15.182 -5.342 100 HE2 LYS 36 2HE LYS 36 -5.749 18.038 -6.151 101 HE3 LYS 36 1HE LYS 36 -4.683 16.902 -6.960 102 HZ1 LYS 36 3HZ LYS 36 -6.885 17.239 -8.042 103 HZ2 LYS 36 1HZ LYS 36 -7.599 16.482 -6.717 104 HZ3 LYS 36 2HZ LYS 36 -6.515 15.627 -7.693 105 H GLY 37 H GLY 37 -5.351 18.195 -1.757 106 HA2 GLY 37 2HA GLY 37 -6.444 19.598 -0.142 107 HA3 GLY 37 1HA GLY 37 -6.417 18.253 0.990 108 H GLU 38 H GLU 38 -3.755 17.482 0.788 109 HA GLU 38 HA GLU 38 -2.485 19.716 2.176 110 HB2 GLU 38 2HB GLU 38 -2.340 16.801 2.346 111 HB3 GLU 38 1HB GLU 38 -0.760 17.566 2.378 112 HG2 GLU 38 2HG GLU 38 -1.092 18.481 4.411 113 HG3 GLU 38 1HG GLU 38 -2.806 18.763 4.127 114 H LEU 39 H LEU 39 -1.028 20.943 1.211 115 HA LEU 39 HA LEU 39 -0.173 20.518 -1.442 116 HB2 LEU 39 2HB LEU 39 -0.309 22.730 -0.398 117 HB3 LEU 39 1HB LEU 39 1.010 22.311 0.673 118 HG LEU 39 HG LEU 39 1.611 22.050 -2.196 119 HD11 LEU 39 1HD1 LEU 39 0.136 24.208 -1.709 120 HD12 LEU 39 2HD1 LEU 39 1.504 24.221 -2.832 121 HD13 LEU 39 3HD1 LEU 39 1.708 24.829 -1.191 122 HD21 LEU 39 3HD2 LEU 39 3.724 22.923 -1.530 123 HD22 LEU 39 1HD2 LEU 39 3.224 21.739 -0.317 124 HD23 LEU 39 2HD2 LEU 39 3.076 23.465 0.017 125 H ASP 40 H ASP 40 1.097 18.899 -2.048 126 HA ASP 40 HA ASP 40 3.734 18.649 -0.895 127 HB2 ASP 40 2HB ASP 40 1.619 16.878 -0.062 128 HB3 ASP 40 1HB ASP 40 2.844 15.965 -0.944 129 H LEU 41 H LEU 41 4.880 16.685 -2.028 130 HA LEU 41 HA LEU 41 3.982 16.517 -4.825 131 HB2 LEU 41 2HB LEU 41 6.817 17.010 -3.927 132 HB3 LEU 41 1HB LEU 41 6.289 16.795 -5.583 133 HG LEU 41 HG LEU 41 4.987 18.983 -4.066 134 HD11 LEU 41 1HD1 LEU 41 7.121 20.341 -4.952 135 HD12 LEU 41 2HD1 LEU 41 7.907 18.818 -4.522 136 HD13 LEU 41 3HD1 LEU 41 6.995 19.705 -3.300 137 HD21 LEU 41 3HD2 LEU 41 4.302 18.851 -6.270 138 HD22 LEU 41 1HD2 LEU 41 5.914 18.443 -6.856 139 HD23 LEU 41 2HD2 LEU 41 5.551 20.091 -6.328 140 H HIS 42 H HIS 42 6.560 15.276 -2.697 141 HA HIS 42 HA HIS 42 6.873 12.823 -3.997 142 HB2 HIS 42 2HB HIS 42 8.199 14.072 -2.006 143 HB3 HIS 42 1HB HIS 42 7.322 12.875 -1.064 144 HD1 HIS 42 1HD HIS 42 8.176 10.503 -1.119 145 HD2 HIS 42 2HD HIS 42 10.005 12.941 -3.944 146 HE1 HIS 42 1HE HIS 42 10.073 9.142 -2.055 147 HE2 HIS 42 2HE HIS 42 11.105 10.602 -3.835 148 H SER 43 H SER 43 4.825 13.743 -1.265 149 HA SER 43 HA SER 43 3.015 12.755 -0.303 150 HB2 SER 43 2HB SER 43 2.593 12.507 -2.958 151 HB3 SER 43 1HB SER 43 2.624 10.809 -2.495 152 HG SER 43 HG SER 43 0.537 11.459 -2.232 153 H LYS 44 H LYS 44 3.286 11.498 1.401 154 HA LYS 44 HA LYS 44 5.056 9.233 1.341 155 HB2 LYS 44 2HB LYS 44 3.323 10.398 3.518 156 HB3 LYS 44 1HB LYS 44 4.370 9.003 3.746 157 HG2 LYS 44 2HG LYS 44 6.238 10.562 2.876 158 HG3 LYS 44 1HG LYS 44 5.098 11.859 3.263 159 HD2 LYS 44 2HD LYS 44 4.948 10.458 5.535 160 HD3 LYS 44 1HD LYS 44 6.589 10.045 5.063 161 HE2 LYS 44 2HE LYS 44 7.364 12.132 5.442 162 HE3 LYS 44 1HE LYS 44 5.897 12.894 4.826 163 HZ1 LYS 44 3HZ LYS 44 6.183 11.622 7.493 164 HZ2 LYS 44 1HZ LYS 44 4.798 12.397 6.903 165 HZ3 LYS 44 2HZ LYS 44 6.206 13.284 7.196 166 H ASN 45 H ASN 45 1.900 9.596 0.399 167 HA ASN 45 HA ASN 45 0.509 7.484 1.503 168 HB2 ASN 45 2HB ASN 45 -0.355 9.263 -0.092 169 HB3 ASN 45 1HB ASN 45 0.310 8.288 -1.398 170 HD21 ASN 45 1HD2 ASN 45 -1.181 7.147 -2.371 171 HD22 ASN 45 2HD2 ASN 45 -2.539 6.385 -1.622 172 H MET 46 H MET 46 2.660 7.480 -1.321 173 HA MET 46 HA MET 46 2.303 4.816 -2.073 174 HB2 MET 46 2HB MET 46 4.607 5.036 -3.075 175 HB3 MET 46 1HB MET 46 3.450 6.271 -3.571 176 HG2 MET 46 2HG MET 46 5.058 7.724 -3.079 177 HG3 MET 46 1HG MET 46 4.623 7.432 -1.399 178 HE1 MET 46 3HE MET 46 7.906 7.988 -3.175 179 HE2 MET 46 1HE MET 46 8.509 7.759 -1.537 180 HE3 MET 46 2HE MET 46 7.040 8.690 -1.806 181 H LYS 47 H LYS 47 4.635 6.252 0.185 182 HA LYS 47 HA LYS 47 5.924 3.807 0.820 183 HB2 LYS 47 2HB LYS 47 6.842 6.138 1.178 184 HB3 LYS 47 1HB LYS 47 5.771 6.250 2.574 185 HG2 LYS 47 2HG LYS 47 6.952 4.661 3.777 186 HG3 LYS 47 1HG LYS 47 7.695 3.978 2.326 187 HD2 LYS 47 2HD LYS 47 8.884 6.207 2.059 188 HD3 LYS 47 1HD LYS 47 8.353 6.564 3.709 189 HE2 LYS 47 2HE LYS 47 9.417 4.057 3.972 190 HE3 LYS 47 1HE LYS 47 10.470 4.785 2.757 191 HZ1 LYS 47 3HZ LYS 47 10.474 5.194 5.523 192 HZ2 LYS 47 1HZ LYS 47 10.059 6.661 4.785 193 HZ3 LYS 47 2HZ LYS 47 11.494 5.879 4.363 194 H ASN 48 H ASN 48 2.984 5.275 1.860 195 HA ASN 48 HA ASN 48 2.763 3.925 4.359 196 HB2 ASN 48 2HB ASN 48 0.880 5.455 2.605 197 HB3 ASN 48 1HB ASN 48 0.237 4.497 3.936 198 HD21 ASN 48 1HD2 ASN 48 0.290 7.398 3.495 199 HD22 ASN 48 2HD2 ASN 48 1.067 8.062 4.884 200 H VAL 49 H VAL 49 1.586 3.273 1.088 201 HA VAL 49 HA VAL 49 0.088 0.966 1.779 202 HB VAL 49 HB VAL 49 1.312 1.566 -0.912 203 HG11 VAL 49 1HG1 VAL 49 -1.236 0.089 -0.310 204 HG12 VAL 49 2HG1 VAL 49 0.324 -0.724 -0.419 205 HG13 VAL 49 3HG1 VAL 49 -0.322 0.133 -1.816 206 HG21 VAL 49 3HG2 VAL 49 0.071 3.511 -0.182 207 HG22 VAL 49 1HG2 VAL 49 -1.308 2.502 0.253 208 HG23 VAL 49 2HG2 VAL 49 -0.836 2.669 -1.437 209 H ILE 50 H ILE 50 3.328 1.373 0.356 210 HA ILE 50 HA ILE 50 3.973 -1.342 0.175 211 HB ILE 50 HB ILE 50 5.287 0.431 -0.908 212 HG12 ILE 50 2HG1 ILE 50 7.219 -0.947 0.910 213 HG13 ILE 50 1HG1 ILE 50 6.180 -1.927 -0.122 214 HG21 ILE 50 1HG2 ILE 50 5.198 1.957 1.106 215 HG22 ILE 50 2HG2 ILE 50 6.743 1.870 0.263 216 HG23 ILE 50 3HG2 ILE 50 6.520 0.996 1.773 217 HD11 ILE 50 3HD1 ILE 50 8.334 -1.535 -1.160 218 HD12 ILE 50 1HD1 ILE 50 8.099 0.210 -1.040 219 HD13 ILE 50 2HD1 ILE 50 7.046 -0.755 -2.080 220 H ASN 51 H ASN 51 4.012 0.860 2.875 221 HA ASN 51 HA ASN 51 5.591 -0.807 4.588 222 HB2 ASN 51 2HB ASN 51 5.335 1.699 4.812 223 HB3 ASN 51 1HB ASN 51 3.705 1.400 5.416 224 HD21 ASN 51 1HD2 ASN 51 4.601 2.567 7.282 225 HD22 ASN 51 2HD2 ASN 51 5.433 1.661 8.495 226 H ASN 52 H ASN 52 2.125 -0.083 4.290 227 HA ASN 52 HA ASN 52 1.333 -1.864 6.363 228 HB2 ASN 52 2HB ASN 52 0.044 -0.043 4.517 229 HB3 ASN 52 1HB ASN 52 -0.850 -1.556 4.624 230 HD21 ASN 52 1HD2 ASN 52 -1.585 -2.249 6.691 231 HD22 ASN 52 2HD2 ASN 52 -1.872 -1.100 7.947 232 H ALA 53 H ALA 53 1.402 -2.102 2.828 233 HA ALA 53 HA ALA 53 0.276 -4.650 2.590 234 HB1 ALA 53 1HB ALA 53 1.728 -4.686 0.430 235 HB2 ALA 53 2HB ALA 53 2.094 -3.017 0.867 236 HB3 ALA 53 3HB ALA 53 0.424 -3.508 0.584 237 H LYS 54 H LYS 54 3.495 -3.613 3.441 238 HA LYS 54 HA LYS 54 4.689 -6.212 3.123 239 HB2 LYS 54 2HB LYS 54 5.924 -4.011 2.939 240 HB3 LYS 54 1HB LYS 54 5.784 -3.872 4.686 241 HG2 LYS 54 2HG LYS 54 6.893 -6.419 3.752 242 HG3 LYS 54 1HG LYS 54 7.874 -5.000 3.378 243 HD2 LYS 54 2HD LYS 54 7.891 -4.358 5.714 244 HD3 LYS 54 1HD LYS 54 6.816 -5.698 6.117 245 HE2 LYS 54 2HE LYS 54 9.046 -6.335 6.700 246 HE3 LYS 54 1HE LYS 54 8.567 -7.262 5.279 247 HZ1 LYS 54 3HZ LYS 54 10.552 -6.569 4.526 248 HZ2 LYS 54 1HZ LYS 54 10.622 -5.234 5.561 249 HZ3 LYS 54 2HZ LYS 54 9.716 -5.152 4.135 250 H LYS 55 H LYS 55 3.676 -4.196 5.871 251 HA LYS 55 HA LYS 55 4.403 -5.962 7.915 252 HB2 LYS 55 2HB LYS 55 2.615 -3.630 7.644 253 HB3 LYS 55 1HB LYS 55 2.209 -4.727 8.957 254 HG2 LYS 55 2HG LYS 55 4.976 -4.365 9.103 255 HG3 LYS 55 1HG LYS 55 4.293 -2.768 8.792 256 HD2 LYS 55 2HD LYS 55 4.038 -2.737 11.040 257 HD3 LYS 55 1HD LYS 55 2.577 -3.663 10.668 258 HE2 LYS 55 2HE LYS 55 3.527 -4.996 12.274 259 HE3 LYS 55 1HE LYS 55 4.214 -5.707 10.810 260 HZ1 LYS 55 3HZ LYS 55 5.544 -3.744 12.601 261 HZ2 LYS 55 1HZ LYS 55 6.207 -4.352 11.170 262 HZ3 LYS 55 2HZ LYS 55 5.915 -5.388 12.476 263 H ASN 56 H ASN 56 1.511 -5.771 5.924 264 HA ASN 56 HA ASN 56 -0.024 -7.669 7.358 265 HB2 ASN 56 2HB ASN 56 -0.194 -6.941 4.423 266 HB3 ASN 56 1HB ASN 56 -1.448 -7.742 5.375 267 HD21 ASN 56 1HD2 ASN 56 -1.352 -5.158 3.889 268 HD22 ASN 56 2HD2 ASN 56 -1.868 -3.971 5.034 269 H LEU 57 H LEU 57 1.747 -7.986 4.275 270 HA LEU 57 HA LEU 57 1.463 -10.633 3.737 271 HB2 LEU 57 2HB LEU 57 3.789 -8.778 3.407 272 HB3 LEU 57 1HB LEU 57 3.952 -10.471 2.961 273 HG LEU 57 HG LEU 57 1.589 -9.108 1.839 274 HD11 LEU 57 1HD1 LEU 57 2.590 -7.549 0.568 275 HD12 LEU 57 2HD1 LEU 57 4.047 -8.518 0.343 276 HD13 LEU 57 3HD1 LEU 57 3.826 -7.588 1.825 277 HD21 LEU 57 3HD2 LEU 57 2.242 -11.420 1.291 278 HD22 LEU 57 1HD2 LEU 57 3.755 -10.815 0.618 279 HD23 LEU 57 2HD2 LEU 57 2.221 -10.372 -0.128 280 H GLU 58 H GLU 58 4.067 -9.274 5.731 281 HA GLU 58 HA GLU 58 5.235 -11.660 6.524 282 HB2 GLU 58 2HB GLU 58 5.039 -9.044 8.019 283 HB3 GLU 58 1HB GLU 58 6.098 -10.369 8.481 284 HG2 GLU 58 2HG GLU 58 6.779 -10.021 5.875 285 HG3 GLU 58 1HG GLU 58 6.384 -8.373 6.361 286 H LYS 59 H LYS 59 2.465 -9.967 7.871 287 HA LYS 59 HA LYS 59 2.214 -11.437 10.241 288 HB2 LYS 59 2HB LYS 59 0.922 -9.322 9.276 289 HB3 LYS 59 1HB LYS 59 -0.244 -10.553 8.808 290 HG2 LYS 59 2HG LYS 59 -1.061 -10.598 10.861 291 HG3 LYS 59 1HG LYS 59 0.526 -11.016 11.509 292 HD2 LYS 59 2HD LYS 59 -0.181 -9.012 12.590 293 HD3 LYS 59 1HD LYS 59 1.093 -8.574 11.449 294 HE2 LYS 59 2HE LYS 59 -0.394 -6.966 10.880 295 HE3 LYS 59 1HE LYS 59 -1.033 -8.254 9.859 296 HZ1 LYS 59 3HZ LYS 59 -2.778 -8.648 11.311 297 HZ2 LYS 59 1HZ LYS 59 -2.647 -6.960 11.342 298 HZ3 LYS 59 2HZ LYS 59 -2.020 -7.882 12.615 299 H TYR 60 H TYR 60 1.448 -12.256 6.953 300 HA TYR 60 HA TYR 60 -0.281 -14.451 7.658 301 HB2 TYR 60 2HB TYR 60 0.946 -13.683 5.005 302 HB3 TYR 60 1HB TYR 60 -0.266 -14.946 5.237 303 HD1 TYR 60 2HD TYR 60 -2.580 -14.354 5.798 304 HD2 TYR 60 1HD TYR 60 0.352 -11.363 5.071 305 HE1 TYR 60 2HE TYR 60 -4.364 -12.681 5.538 306 HE2 TYR 60 1HE TYR 60 -1.423 -9.677 4.808 307 HH TYR 60 HH TYR 60 -4.723 -10.517 4.510 308 H PHE 61 H PHE 61 2.984 -14.209 6.201 309 HA PHE 61 HA PHE 61 3.308 -17.073 6.532 310 HB2 PHE 61 2HB PHE 61 5.400 -16.852 5.350 311 HB3 PHE 61 1HB PHE 61 4.148 -15.962 4.487 312 HD1 PHE 61 2HD PHE 61 6.846 -15.443 7.011 313 HD2 PHE 61 1HD PHE 61 4.590 -13.816 3.790 314 HE1 PHE 61 2HE PHE 61 8.285 -13.448 7.017 315 HE2 PHE 61 1HE PHE 61 6.028 -11.820 3.786 316 HZ PHE 61 HZ PHE 61 7.879 -11.634 5.402 317 H LYS 62 H LYS 62 4.372 -14.156 8.109 318 HA LYS 62 HA LYS 62 6.329 -15.588 9.705 319 HB2 LYS 62 2HB LYS 62 6.299 -13.047 8.841 320 HB3 LYS 62 1HB LYS 62 5.559 -12.814 10.420 321 HG2 LYS 62 2HG LYS 62 7.504 -13.972 11.441 322 HG3 LYS 62 1HG LYS 62 8.255 -14.019 9.844 323 HD2 LYS 62 2HD LYS 62 8.597 -11.740 9.790 324 HD3 LYS 62 1HD LYS 62 7.284 -11.412 10.924 325 HE2 LYS 62 2HE LYS 62 8.585 -12.209 12.761 326 HE3 LYS 62 1HE LYS 62 9.850 -12.795 11.685 327 HZ1 LYS 62 3HZ LYS 62 9.961 -10.456 12.912 328 HZ2 LYS 62 1HZ LYS 62 9.208 -9.971 11.475 329 HZ3 LYS 62 2HZ LYS 62 10.711 -10.746 11.429 330 H GLU 63 H GLU 63 3.105 -14.200 10.120 331 HA GLU 63 HA GLU 63 3.128 -14.999 12.934 332 HB2 GLU 63 2HB GLU 63 2.058 -12.803 11.650 333 HB3 GLU 63 1HB GLU 63 0.648 -13.825 11.931 334 HG2 GLU 63 2HG GLU 63 0.832 -12.382 13.790 335 HG3 GLU 63 1HG GLU 63 1.362 -13.974 14.331 336 H HIS 64 H HIS 64 1.720 -15.890 9.871 337 HA HIS 64 HA HIS 64 0.134 -17.947 11.246 338 HB2 HIS 64 2HB HIS 64 -0.452 -16.204 8.976 339 HB3 HIS 64 1HB HIS 64 -0.813 -17.897 8.656 340 HD1 HIS 64 1HD HIS 64 -1.250 -16.892 12.166 341 HD2 HIS 64 2HD HIS 64 -3.570 -17.055 8.722 342 HE1 HIS 64 1HE HIS 64 -3.631 -16.694 12.949 343 HE2 HIS 64 2HE HIS 64 -5.010 -16.706 10.841 344 H PHE 65 H PHE 65 3.018 -17.750 10.011 345 HA PHE 65 HA PHE 65 4.468 -19.094 8.858 346 HB2 PHE 65 2HB PHE 65 3.278 -20.479 10.915 347 HB3 PHE 65 1HB PHE 65 3.089 -21.580 9.546 348 HD1 PHE 65 2HD PHE 65 5.305 -21.805 8.073 349 HD2 PHE 65 1HD PHE 65 5.173 -20.677 12.175 350 HE1 PHE 65 2HE PHE 65 7.640 -22.534 8.345 351 HE2 PHE 65 1HE PHE 65 7.507 -21.403 12.454 352 HZ PHE 65 HZ PHE 65 8.744 -22.334 10.538 353 H LYS 66 H LYS 66 4.220 -18.757 6.704 354 HA LYS 66 HA LYS 66 3.716 -19.205 4.533 355 HB2 LYS 66 2HB LYS 66 3.195 -21.814 5.877 356 HB3 LYS 66 1HB LYS 66 2.626 -21.611 4.225 357 HG2 LYS 66 2HG LYS 66 5.284 -20.661 4.316 358 HG3 LYS 66 1HG LYS 66 5.247 -22.210 5.158 359 HD2 LYS 66 2HD LYS 66 3.725 -22.146 2.648 360 HD3 LYS 66 1HD LYS 66 5.464 -21.910 2.459 361 HE2 LYS 66 2HE LYS 66 4.567 -24.097 4.249 362 HE3 LYS 66 1HE LYS 66 4.339 -24.324 2.515 363 HZ1 LYS 66 3HZ LYS 66 6.520 -25.104 3.560 364 HZ2 LYS 66 1HZ LYS 66 6.945 -23.467 3.601 365 HZ3 LYS 66 2HZ LYS 66 6.609 -24.216 2.122 366 H GLU 67 H GLU 67 2.071 -18.706 3.170 367 HA GLU 67 HA GLU 67 -0.664 -19.307 3.747 368 HB2 GLU 67 2HB GLU 67 0.254 -17.101 5.075 369 HB3 GLU 67 1HB GLU 67 -0.364 -16.383 3.594 370 HG2 GLU 67 2HG GLU 67 -2.114 -16.331 5.180 371 HG3 GLU 67 1HG GLU 67 -2.516 -17.590 4.013 372 H PHE 68 H PHE 68 -2.134 -18.083 2.147 373 HA PHE 68 HA PHE 68 -0.711 -17.842 -0.423 374 HB2 PHE 68 2HB PHE 68 -3.456 -18.960 0.169 375 HB3 PHE 68 1HB PHE 68 -2.875 -18.615 -1.456 376 HD1 PHE 68 2HD PHE 68 -0.260 -19.603 -1.656 377 HD2 PHE 68 1HD PHE 68 -3.490 -21.199 0.610 378 HE1 PHE 68 2HE PHE 68 0.774 -21.834 -1.757 379 HE2 PHE 68 1HE PHE 68 -2.461 -23.432 0.514 380 HZ PHE 68 HZ PHE 68 -0.326 -23.752 -0.672 381 H ASP 69 H ASP 69 -0.478 -15.610 -0.383 382 HA ASP 69 HA ASP 69 -2.578 -14.081 -1.415 383 HB2 ASP 69 2HB ASP 69 -2.989 -12.551 0.512 384 HB3 ASP 69 1HB ASP 69 -3.595 -14.183 0.773 385 H LYS 70 H LYS 70 -1.931 -12.009 -2.030 386 HA LYS 70 HA LYS 70 0.732 -11.108 -1.236 387 HB2 LYS 70 2HB LYS 70 -0.111 -11.613 -4.094 388 HB3 LYS 70 1HB LYS 70 1.317 -10.695 -3.638 389 HG2 LYS 70 2HG LYS 70 2.435 -12.562 -2.865 390 HG3 LYS 70 1HG LYS 70 0.947 -13.479 -2.623 391 HD2 LYS 70 2HD LYS 70 1.723 -12.625 -5.379 392 HD3 LYS 70 1HD LYS 70 2.518 -14.019 -4.643 393 HE2 LYS 70 2HE LYS 70 0.721 -14.947 -5.806 394 HE3 LYS 70 1HE LYS 70 0.148 -14.858 -4.141 395 HZ1 LYS 70 3HZ LYS 70 -1.371 -13.289 -4.652 396 HZ2 LYS 70 1HZ LYS 70 -1.256 -13.972 -6.196 397 HZ3 LYS 70 2HZ LYS 70 -0.407 -12.555 -5.834 398 H ILE 71 H ILE 71 1.166 -8.861 -1.887 399 HA ILE 71 HA ILE 71 -1.264 -7.348 -2.534 400 HB ILE 71 HB ILE 71 0.625 -6.542 -0.327 401 HG12 ILE 71 2HG1 ILE 71 -2.219 -7.473 -0.021 402 HG13 ILE 71 1HG1 ILE 71 -0.861 -8.587 0.077 403 HG21 ILE 71 1HG2 ILE 71 -1.041 -4.829 0.153 404 HG22 ILE 71 2HG2 ILE 71 -2.029 -5.399 -1.192 405 HG23 ILE 71 3HG2 ILE 71 -0.450 -4.677 -1.502 406 HD11 ILE 71 3HD1 ILE 71 -0.764 -6.171 1.782 407 HD12 ILE 71 1HD1 ILE 71 -0.194 -7.810 2.099 408 HD13 ILE 71 2HD1 ILE 71 -1.914 -7.435 2.215 409 H SER 72 H SER 72 -1.009 -5.675 -3.835 410 HA SER 72 HA SER 72 1.673 -4.645 -4.393 411 HB2 SER 72 2HB SER 72 0.621 -6.475 -6.060 412 HB3 SER 72 1HB SER 72 -0.110 -5.021 -6.738 413 HG SER 72 HG SER 72 1.973 -4.156 -6.961 414 H TYR 73 H TYR 73 1.498 -2.605 -5.789 415 HA TYR 73 HA TYR 73 -1.012 -1.228 -5.745 416 HB2 TYR 73 2HB TYR 73 -0.563 0.447 -4.157 417 HB3 TYR 73 1HB TYR 73 -0.116 -1.058 -3.368 418 HD1 TYR 73 2HD TYR 73 2.516 -1.675 -3.992 419 HD2 TYR 73 1HD TYR 73 0.806 2.204 -3.659 420 HE1 TYR 73 2HE TYR 73 4.744 -0.739 -3.515 421 HE2 TYR 73 1HE TYR 73 3.022 3.150 -3.175 422 HH TYR 73 HH TYR 73 5.178 2.482 -2.387 423 H ASP 74 H ASP 74 -0.919 0.920 -6.670 424 HA ASP 74 HA ASP 74 1.532 1.678 -8.018 425 HB2 ASP 74 2HB ASP 74 0.157 -0.036 -9.445 426 HB3 ASP 74 1HB ASP 74 -0.882 1.349 -9.765 427 H ILE 75 H ILE 75 1.449 3.808 -8.924 428 HA ILE 75 HA ILE 75 -0.641 5.456 -7.685 429 HB ILE 75 HB ILE 75 2.020 6.369 -8.767 430 HG12 ILE 75 2HG1 ILE 75 1.514 6.303 -5.848 431 HG13 ILE 75 1HG1 ILE 75 1.774 4.745 -6.626 432 HG21 ILE 75 1HG2 ILE 75 1.291 8.207 -6.939 433 HG22 ILE 75 2HG2 ILE 75 -0.290 7.710 -7.541 434 HG23 ILE 75 3HG2 ILE 75 0.919 8.332 -8.657 435 HD11 ILE 75 3HD1 ILE 75 3.912 5.278 -6.054 436 HD12 ILE 75 1HD1 ILE 75 3.648 7.011 -6.236 437 HD13 ILE 75 2HD1 ILE 75 3.843 5.992 -7.659 438 H SER 76 H SER 76 -2.049 6.572 -8.883 439 HA SER 76 HA SER 76 -1.819 6.401 -11.788 440 HB2 SER 76 2HB SER 76 -4.031 6.665 -9.865 441 HB3 SER 76 1HB SER 76 -4.220 7.604 -11.341 442 HG SER 76 HG SER 76 -4.602 5.012 -11.005 443 H THR 77 H THR 77 -0.643 7.985 -12.658 444 HA THR 77 HA THR 77 0.015 10.061 -13.301 445 HB THR 77 HB THR 77 -2.111 11.552 -11.916 446 HG1 THR 77 1HG THR 77 -2.820 9.645 -13.889 447 HG21 THR 77 3HG2 THR 77 -2.607 12.239 -14.291 448 HG22 THR 77 1HG2 THR 77 -1.174 11.319 -14.756 449 HG23 THR 77 2HG2 THR 77 -1.025 12.693 -13.657 450 HA PRO 78 HA PRO 78 2.577 11.450 -9.981 451 HB2 PRO 78 2HB PRO 78 2.444 14.100 -11.336 452 HB3 PRO 78 1HB PRO 78 3.852 13.162 -10.842 453 HG2 PRO 78 2HG PRO 78 3.138 13.296 -13.405 454 HG3 PRO 78 1HG PRO 78 3.757 11.784 -12.705 455 HD2 PRO 78 2HD PRO 78 0.957 12.549 -13.396 456 HD3 PRO 78 1HD PRO 78 1.756 10.973 -13.517 457 H ILE 79 H ILE 79 -0.328 13.180 -10.892 458 HA ILE 79 HA ILE 79 -0.922 13.724 -8.134 459 HB ILE 79 HB ILE 79 0.440 15.673 -8.616 460 HG12 ILE 79 2HG1 ILE 79 -0.994 17.259 -7.726 461 HG13 ILE 79 1HG1 ILE 79 -2.334 16.785 -8.764 462 HG21 ILE 79 1HG2 ILE 79 -1.393 16.801 -10.627 463 HG22 ILE 79 2HG2 ILE 79 -0.390 15.450 -11.174 464 HG23 ILE 79 3HG2 ILE 79 0.365 16.896 -10.503 465 HD11 ILE 79 3HD1 ILE 79 -1.337 14.962 -6.618 466 HD12 ILE 79 1HD1 ILE 79 -2.918 15.005 -7.390 467 HD13 ILE 79 2HD1 ILE 79 -2.455 16.269 -6.249 468 H ASN 80 H ASN 80 -2.647 12.283 -8.722 469 HA ASN 80 HA ASN 80 -4.957 13.716 -9.665 470 HB2 ASN 80 2HB ASN 80 -4.065 12.974 -11.799 471 HB3 ASN 80 1HB ASN 80 -3.947 11.316 -11.206 472 HD21 ASN 80 1HD2 ASN 80 -6.441 13.854 -11.222 473 HD22 ASN 80 2HD2 ASN 80 -7.692 12.850 -11.863 474 H PHE 81 H PHE 81 -4.434 10.215 -9.727 475 HA PHE 81 HA PHE 81 -5.953 9.964 -7.241 476 HB2 PHE 81 2HB PHE 81 -6.569 8.467 -9.794 477 HB3 PHE 81 1HB PHE 81 -7.314 8.155 -8.239 478 HD1 PHE 81 1HD PHE 81 -8.108 10.591 -7.142 479 HD2 PHE 81 2HD PHE 81 -7.969 9.524 -11.257 480 HE1 PHE 81 1HE PHE 81 -9.829 12.269 -7.632 481 HE2 PHE 81 2HE PHE 81 -9.695 11.207 -11.756 482 HZ PHE 81 HZ PHE 81 -10.623 12.582 -9.943 483 H LEU 82 H LEU 82 -5.960 7.617 -6.488 484 HA LEU 82 HA LEU 82 -3.339 6.398 -7.055 485 HB2 LEU 82 2HB LEU 82 -4.824 6.568 -4.437 486 HB3 LEU 82 1HB LEU 82 -3.390 5.590 -4.691 487 HG LEU 82 HG LEU 82 -2.734 7.613 -3.591 488 HD11 LEU 82 1HD1 LEU 82 -1.879 8.342 -6.310 489 HD12 LEU 82 2HD1 LEU 82 -1.553 6.681 -5.813 490 HD13 LEU 82 3HD1 LEU 82 -0.925 8.026 -4.860 491 HD21 LEU 82 3HD2 LEU 82 -4.839 8.793 -4.754 492 HD22 LEU 82 1HD2 LEU 82 -3.546 9.399 -5.786 493 HD23 LEU 82 2HD2 LEU 82 -3.492 9.684 -4.047 494 H CYS 83 H CYS 83 -3.323 4.279 -7.572 495 HA CYS 83 HA CYS 83 -5.843 2.794 -7.286 496 HB2 CYS 83 2HB CYS 83 -4.767 3.541 -9.658 497 HB3 CYS 83 1HB CYS 83 -4.023 1.959 -9.453 498 HG CYS 83 HG CYS 83 -7.102 2.136 -9.258 499 H ILE 84 H ILE 84 -5.621 1.273 -5.808 500 HA ILE 84 HA ILE 84 -3.022 -0.019 -5.405 501 HB ILE 84 HB ILE 84 -5.528 -0.011 -3.735 502 HG12 ILE 84 2HG1 ILE 84 -3.869 1.997 -3.867 503 HG13 ILE 84 1HG1 ILE 84 -4.470 1.460 -2.303 504 HG21 ILE 84 1HG2 ILE 84 -3.699 -1.091 -2.092 505 HG22 ILE 84 2HG2 ILE 84 -3.174 -1.768 -3.635 506 HG23 ILE 84 3HG2 ILE 84 -4.822 -2.039 -3.068 507 HD11 ILE 84 3HD1 ILE 84 -1.827 1.798 -3.070 508 HD12 ILE 84 1HD1 ILE 84 -2.073 0.053 -3.018 509 HD13 ILE 84 2HD1 ILE 84 -2.424 1.032 -1.597 510 H PHE 85 H PHE 85 -2.674 -2.134 -5.869 511 HA PHE 85 HA PHE 85 -4.983 -3.742 -6.730 512 HB2 PHE 85 2HB PHE 85 -2.436 -3.167 -8.147 513 HB3 PHE 85 1HB PHE 85 -3.065 -4.807 -8.267 514 HD1 PHE 85 1HD PHE 85 -5.736 -4.819 -8.720 515 HD2 PHE 85 2HD PHE 85 -3.017 -1.749 -9.836 516 HE1 PHE 85 1HE PHE 85 -7.285 -4.097 -10.491 517 HE2 PHE 85 2HE PHE 85 -4.561 -1.020 -11.608 518 HZ PHE 85 HZ PHE 85 -6.696 -2.194 -11.938 519 H ILE 86 H ILE 86 -5.086 -4.828 -4.765 520 HA ILE 86 HA ILE 86 -2.733 -6.280 -3.837 521 HB ILE 86 HB ILE 86 -3.922 -5.289 -2.058 522 HG12 ILE 86 2HG1 ILE 86 -4.843 -8.170 -2.098 523 HG13 ILE 86 1HG1 ILE 86 -3.207 -7.660 -1.695 524 HG21 ILE 86 1HG2 ILE 86 -6.002 -4.703 -2.873 525 HG22 ILE 86 2HG2 ILE 86 -6.399 -5.970 -1.715 526 HG23 ILE 86 3HG2 ILE 86 -6.358 -6.334 -3.439 527 HD11 ILE 86 3HD1 ILE 86 -4.380 -6.198 0.094 528 HD12 ILE 86 1HD1 ILE 86 -4.173 -7.927 0.375 529 HD13 ILE 86 2HD1 ILE 86 -5.735 -7.300 -0.156 530 HA PRO 87 HA PRO 87 -4.424 -9.781 -6.166 531 HB2 PRO 87 2HB PRO 87 -1.824 -10.978 -6.135 532 HB3 PRO 87 1HB PRO 87 -2.639 -10.178 -7.481 533 HG2 PRO 87 2HG PRO 87 -0.376 -9.223 -6.211 534 HG3 PRO 87 1HG PRO 87 -1.496 -8.236 -7.164 535 HD2 PRO 87 2HD PRO 87 -1.304 -8.559 -4.198 536 HD3 PRO 87 1HD PRO 87 -1.655 -7.107 -5.155 537 H THR 88 H THR 88 -5.605 -11.066 -4.868 538 HA THR 88 HA THR 88 -4.142 -12.776 -2.971 539 HB THR 88 HB THR 88 -5.342 -11.023 -1.728 540 HG1 THR 88 1HG THR 88 -6.408 -13.637 -1.499 541 HG21 THR 88 3HG2 THR 88 -7.609 -11.900 -3.393 542 HG22 THR 88 1HG2 THR 88 -7.237 -10.316 -2.715 543 HG23 THR 88 2HG2 THR 88 -7.951 -11.566 -1.696 544 H LEU 89 H LEU 89 -4.894 -14.880 -2.726 545 HA LEU 89 HA LEU 89 -6.806 -15.744 -4.793 546 HB2 LEU 89 2HB LEU 89 -4.745 -17.497 -3.478 547 HB3 LEU 89 1HB LEU 89 -5.655 -17.813 -4.942 548 HG LEU 89 HG LEU 89 -3.459 -17.320 -5.642 549 HD11 LEU 89 1HD1 LEU 89 -5.259 -14.936 -5.964 550 HD12 LEU 89 2HD1 LEU 89 -4.982 -16.260 -7.095 551 HD13 LEU 89 3HD1 LEU 89 -3.707 -15.082 -6.786 552 HD21 LEU 89 3HD2 LEU 89 -3.143 -16.018 -3.307 553 HD22 LEU 89 1HD2 LEU 89 -3.262 -14.650 -4.415 554 HD23 LEU 89 2HD2 LEU 89 -2.026 -15.882 -4.664 555 H PHE 90 H PHE 90 -8.621 -15.432 -3.435 556 HA PHE 90 HA PHE 90 -8.905 -16.450 -0.856 557 HB2 PHE 90 2HB PHE 90 -11.242 -16.069 -1.081 558 HB3 PHE 90 1HB PHE 90 -10.425 -14.793 -1.971 559 HD1 PHE 90 2HD PHE 90 -9.801 -16.553 -4.447 560 HD2 PHE 90 1HD PHE 90 -13.331 -15.878 -2.167 561 HE1 PHE 90 2HE PHE 90 -11.168 -17.077 -6.418 562 HE2 PHE 90 1HE PHE 90 -14.705 -16.402 -4.137 563 HZ PHE 90 HZ PHE 90 -13.625 -17.002 -6.267 564 H ASP 91 H ASP 91 -7.981 -18.497 -0.841 565 HA ASP 91 HA ASP 91 -9.834 -20.615 -1.599 566 HB2 ASP 91 2HB ASP 91 -7.980 -20.206 -3.394 567 HB3 ASP 91 1HB ASP 91 -6.929 -21.017 -2.233 568 H MET 92 H MET 92 -8.776 -19.310 0.889 569 HA MET 92 HA MET 92 -8.343 -21.754 2.354 570 HB2 MET 92 2HB MET 92 -6.315 -20.561 3.538 571 HB3 MET 92 1HB MET 92 -6.074 -21.513 2.075 572 HG2 MET 92 2HG MET 92 -5.260 -19.763 1.000 573 HG3 MET 92 1HG MET 92 -6.683 -18.798 1.382 574 HE1 MET 92 3HE MET 92 -5.320 -16.891 1.139 575 HE2 MET 92 1HE MET 92 -4.201 -16.221 2.325 576 HE3 MET 92 2HE MET 92 -5.928 -16.272 2.674 577 H ASN 93 H ASN 93 -7.747 -18.285 2.951 578 HA ASN 93 HA ASN 93 -9.012 -18.359 5.495 579 HB2 ASN 93 2HB ASN 93 -7.330 -16.602 4.172 580 HB3 ASN 93 1HB ASN 93 -8.846 -15.710 4.269 581 HD21 ASN 93 1HD2 ASN 93 -6.058 -16.642 5.893 582 HD22 ASN 93 2HD2 ASN 93 -6.497 -16.111 7.477 583 H ASN 94 H ASN 94 -10.226 -18.177 2.331 584 HA ASN 94 HA ASN 94 -12.292 -17.818 1.454 585 HB2 ASN 94 2HB ASN 94 -12.686 -19.288 3.702 586 HB3 ASN 94 1HB ASN 94 -13.686 -17.882 4.058 587 HD21 ASN 94 1HD2 ASN 94 -15.114 -17.201 2.184 588 HD22 ASN 94 2HD2 ASN 94 -15.930 -18.472 1.344 589 H MET 95 H MET 95 -10.714 -15.559 2.810 590 HA MET 95 HA MET 95 -12.155 -13.391 2.032 591 HB2 MET 95 2HB MET 95 -12.942 -12.523 4.337 592 HB3 MET 95 1HB MET 95 -13.949 -13.693 3.495 593 HG2 MET 95 2HG MET 95 -13.732 -15.204 5.111 594 HG3 MET 95 1HG MET 95 -11.993 -14.949 5.235 595 HE1 MET 95 3HE MET 95 -12.303 -15.678 7.414 596 HE2 MET 95 1HE MET 95 -13.506 -15.094 8.564 597 HE3 MET 95 2HE MET 95 -11.883 -14.405 8.560 598 H ASP 96 H ASP 96 -10.025 -12.785 1.578 599 HA ASP 96 HA ASP 96 -7.894 -12.667 3.345 600 HB2 ASP 96 2HB ASP 96 -8.058 -12.178 0.765 601 HB3 ASP 96 1HB ASP 96 -8.234 -10.509 1.298 602 H LEU 97 H LEU 97 -7.047 -11.093 4.696 603 HA LEU 97 HA LEU 97 -8.967 -9.442 6.020 604 HB2 LEU 97 2HB LEU 97 -5.986 -9.757 6.338 605 HB3 LEU 97 1HB LEU 97 -6.947 -8.687 7.339 606 HG LEU 97 HG LEU 97 -7.850 -11.504 7.191 607 HD11 LEU 97 1HD1 LEU 97 -5.252 -11.385 7.398 608 HD12 LEU 97 2HD1 LEU 97 -6.180 -12.437 8.465 609 HD13 LEU 97 3HD1 LEU 97 -5.604 -10.877 9.049 610 HD21 LEU 97 3HD2 LEU 97 -8.707 -11.078 9.268 611 HD22 LEU 97 1HD2 LEU 97 -8.725 -9.452 8.587 612 HD23 LEU 97 2HD2 LEU 97 -7.430 -9.935 9.684 613 H LEU 98 H LEU 98 -9.432 -8.297 3.888 614 HA LEU 98 HA LEU 98 -7.527 -6.285 3.084 615 HB2 LEU 98 2HB LEU 98 -10.165 -7.243 2.156 616 HB3 LEU 98 1HB LEU 98 -9.801 -5.559 1.829 617 HG LEU 98 HG LEU 98 -7.507 -6.970 1.050 618 HD11 LEU 98 1HD1 LEU 98 -9.664 -8.243 -0.497 619 HD12 LEU 98 2HD1 LEU 98 -9.416 -8.866 1.134 620 HD13 LEU 98 3HD1 LEU 98 -8.083 -8.864 -0.022 621 HD21 LEU 98 3HD2 LEU 98 -8.219 -5.010 -0.072 622 HD22 LEU 98 1HD2 LEU 98 -9.781 -5.723 -0.474 623 HD23 LEU 98 2HD2 LEU 98 -8.313 -6.322 -1.247 624 H LYS 99 H LYS 99 -9.869 -6.534 5.508 625 HA LYS 99 HA LYS 99 -10.997 -3.999 5.624 626 HB2 LYS 99 2HB LYS 99 -11.544 -6.026 7.051 627 HB3 LYS 99 1HB LYS 99 -10.160 -5.592 8.043 628 HG2 LYS 99 2HG LYS 99 -11.444 -4.220 9.205 629 HG3 LYS 99 1HG LYS 99 -11.715 -3.261 7.750 630 HD2 LYS 99 2HD LYS 99 -13.781 -4.108 7.421 631 HD3 LYS 99 1HD LYS 99 -13.311 -5.727 7.945 632 HE2 LYS 99 2HE LYS 99 -13.147 -4.247 10.261 633 HE3 LYS 99 1HE LYS 99 -14.549 -3.556 9.447 634 HZ1 LYS 99 3HZ LYS 99 -14.137 -6.425 10.092 635 HZ2 LYS 99 1HZ LYS 99 -15.460 -5.804 9.240 636 HZ3 LYS 99 2HZ LYS 99 -15.216 -5.373 10.858 637 H GLN 100 H GLN 100 -7.744 -4.977 6.246 638 HA GLN 100 HA GLN 100 -7.047 -2.737 7.895 639 HB2 GLN 100 2HB GLN 100 -5.707 -5.088 6.787 640 HB3 GLN 100 1HB GLN 100 -4.686 -3.656 6.782 641 HG2 GLN 100 2HG GLN 100 -4.306 -3.853 8.950 642 HG3 GLN 100 1HG GLN 100 -6.034 -3.866 9.297 643 HE21 GLN 100 1HE2 GLN 100 -7.051 -5.774 9.707 644 HE22 GLN 100 2HE2 GLN 100 -6.227 -7.285 9.859 645 H ALA 101 H ALA 101 -6.172 -3.658 4.571 646 HA ALA 101 HA ALA 101 -4.947 -1.301 3.793 647 HB1 ALA 101 1HB ALA 101 -4.637 -2.811 2.154 648 HB2 ALA 101 2HB ALA 101 -6.115 -2.122 1.481 649 HB3 ALA 101 3HB ALA 101 -6.188 -3.596 2.450 650 H LEU 102 H LEU 102 -8.368 -2.194 3.691 651 HA LEU 102 HA LEU 102 -9.316 0.104 2.374 652 HB2 LEU 102 2HB LEU 102 -10.548 -1.966 4.146 653 HB3 LEU 102 1HB LEU 102 -11.473 -0.535 3.729 654 HG LEU 102 HG LEU 102 -10.218 -2.177 1.561 655 HD11 LEU 102 1HD1 LEU 102 -12.723 -3.140 1.584 656 HD12 LEU 102 2HD1 LEU 102 -12.457 -2.951 3.317 657 HD13 LEU 102 3HD1 LEU 102 -11.361 -3.948 2.361 658 HD21 LEU 102 3HD2 LEU 102 -12.208 -1.344 0.330 659 HD22 LEU 102 1HD2 LEU 102 -11.147 -0.060 0.909 660 HD23 LEU 102 2HD2 LEU 102 -12.652 -0.410 1.759 661 H LEU 103 H LEU 103 -8.517 -0.544 5.714 662 HA LEU 103 HA LEU 103 -9.788 1.793 6.767 663 HB2 LEU 103 2HB LEU 103 -8.260 -0.458 7.785 664 HB3 LEU 103 1HB LEU 103 -7.805 1.044 8.569 665 HG LEU 103 HG LEU 103 -10.710 0.498 8.344 666 HD11 LEU 103 1HD1 LEU 103 -9.240 -1.617 9.110 667 HD12 LEU 103 2HD1 LEU 103 -10.839 -1.253 9.757 668 HD13 LEU 103 3HD1 LEU 103 -9.396 -0.777 10.653 669 HD21 LEU 103 3HD2 LEU 103 -10.385 2.414 9.522 670 HD22 LEU 103 1HD2 LEU 103 -8.816 1.901 10.143 671 HD23 LEU 103 2HD2 LEU 103 -10.298 1.262 10.855 672 H ILE 104 H ILE 104 -6.496 0.961 5.779 673 HA ILE 104 HA ILE 104 -5.185 3.244 6.699 674 HB ILE 104 HB ILE 104 -4.544 1.680 4.194 675 HG12 ILE 104 2HG1 ILE 104 -4.665 0.193 6.110 676 HG13 ILE 104 1HG1 ILE 104 -2.978 0.434 5.664 677 HG21 ILE 104 1HG2 ILE 104 -2.858 3.504 5.901 678 HG22 ILE 104 2HG2 ILE 104 -3.359 3.774 4.232 679 HG23 ILE 104 3HG2 ILE 104 -2.233 2.472 4.616 680 HD11 ILE 104 3HD1 ILE 104 -2.913 0.595 7.955 681 HD12 ILE 104 1HD1 ILE 104 -4.466 1.425 8.049 682 HD13 ILE 104 2HD1 ILE 104 -3.037 2.288 7.476 683 H LEU 105 H LEU 105 -6.572 2.634 3.465 684 HA LEU 105 HA LEU 105 -6.005 5.189 2.436 685 HB2 LEU 105 2HB LEU 105 -7.624 4.653 0.681 686 HB3 LEU 105 1HB LEU 105 -6.528 3.318 0.984 687 HG LEU 105 HG LEU 105 -8.566 2.604 2.599 688 HD11 LEU 105 1HD1 LEU 105 -10.267 4.034 2.220 689 HD12 LEU 105 2HD1 LEU 105 -10.539 3.003 0.815 690 HD13 LEU 105 3HD1 LEU 105 -9.653 4.517 0.639 691 HD21 LEU 105 3HD2 LEU 105 -9.363 1.251 0.565 692 HD22 LEU 105 1HD2 LEU 105 -7.699 1.038 1.110 693 HD23 LEU 105 2HD2 LEU 105 -8.044 2.042 -0.298 694 H HIS 106 H HIS 106 -8.878 3.896 4.060 695 HA HIS 106 HA HIS 106 -10.500 6.175 3.737 696 HB2 HIS 106 2HB HIS 106 -10.683 3.651 5.059 697 HB3 HIS 106 1HB HIS 106 -11.153 4.904 6.202 698 HD1 HIS 106 1HD HIS 106 -13.505 5.663 6.047 699 HD2 HIS 106 2HD HIS 106 -12.224 3.852 2.535 700 HE1 HIS 106 1HE HIS 106 -15.537 5.551 4.568 701 HE2 HIS 106 2HE HIS 106 -14.713 4.538 2.413 702 H ASN 107 H ASN 107 -8.331 5.187 6.368 703 HA ASN 107 HA ASN 107 -8.863 7.294 8.115 704 HB2 ASN 107 2HB ASN 107 -7.308 5.103 8.262 705 HB3 ASN 107 1HB ASN 107 -6.066 6.313 7.970 706 HD21 ASN 107 1HD2 ASN 107 -5.201 7.090 9.739 707 HD22 ASN 107 2HD2 ASN 107 -5.987 7.281 11.265 708 H ASP 108 H ASP 108 -6.913 7.159 5.235 709 HA ASP 108 HA ASP 108 -5.452 9.563 5.720 710 HB2 ASP 108 2HB ASP 108 -5.755 7.638 3.501 711 HB3 ASP 108 1HB ASP 108 -5.358 9.284 3.018 712 H LEU 109 H LEU 109 -8.476 8.762 4.128 713 HA LEU 109 HA LEU 109 -8.823 11.501 3.206 714 HB2 LEU 109 2HB LEU 109 -10.102 8.901 2.670 715 HB3 LEU 109 1HB LEU 109 -11.180 10.279 2.640 716 HG LEU 109 HG LEU 109 -8.636 10.342 1.062 717 HD11 LEU 109 1HD1 LEU 109 -10.337 9.595 -0.829 718 HD12 LEU 109 2HD1 LEU 109 -11.055 8.719 0.524 719 HD13 LEU 109 3HD1 LEU 109 -9.377 8.434 0.077 720 HD21 LEU 109 3HD2 LEU 109 -9.548 12.402 0.845 721 HD22 LEU 109 1HD2 LEU 109 -11.179 11.834 1.200 722 HD23 LEU 109 2HD2 LEU 109 -10.490 11.592 -0.406 723 H HIS 110 H HIS 110 -9.869 9.421 5.775 724 HA HIS 110 HA HIS 110 -12.116 11.016 6.565 725 HB2 HIS 110 2HB HIS 110 -11.453 8.466 7.060 726 HB3 HIS 110 1HB HIS 110 -10.806 9.200 8.522 727 HD1 HIS 110 1HD HIS 110 -14.091 9.349 6.591 728 HD2 HIS 110 2HD HIS 110 -12.646 9.286 10.489 729 HE1 HIS 110 1HE HIS 110 -16.129 9.343 8.062 730 HE2 HIS 110 2HE HIS 110 -15.236 9.214 10.408 731 H GLU 111 H GLU 111 -8.824 11.517 6.801 732 HA GLU 111 HA GLU 111 -8.341 12.438 9.351 733 HB2 GLU 111 2HB GLU 111 -7.297 13.172 6.656 734 HB3 GLU 111 1HB GLU 111 -6.887 14.212 8.012 735 HG2 GLU 111 2HG GLU 111 -6.392 11.247 7.939 736 HG3 GLU 111 1HG GLU 111 -5.195 12.468 7.517 737 H TYR 112 H TYR 112 -9.247 14.571 6.634 738 HA TYR 112 HA TYR 112 -11.318 15.905 7.937 739 HB2 TYR 112 2HB TYR 112 -8.690 16.734 8.793 740 HB3 TYR 112 1HB TYR 112 -9.532 18.073 8.006 741 HD1 TYR 112 2HD TYR 112 -12.138 18.190 8.775 742 HD2 TYR 112 1HD TYR 112 -8.927 16.613 11.079 743 HE1 TYR 112 2HE TYR 112 -13.421 18.606 10.834 744 HE2 TYR 112 1HE TYR 112 -10.199 17.014 13.144 745 HH TYR 112 HH TYR 112 -13.067 18.898 13.198 746 H VAL 113 H VAL 113 -8.512 17.160 6.132 747 HA VAL 113 HA VAL 113 -8.415 18.416 4.219 748 HB VAL 113 HB VAL 113 -8.537 16.104 3.354 749 HG11 VAL 113 1HG1 VAL 113 -10.730 15.426 2.301 750 HG12 VAL 113 2HG1 VAL 113 -11.488 16.695 3.266 751 HG13 VAL 113 3HG1 VAL 113 -10.663 15.346 4.057 752 HG21 VAL 113 3HG2 VAL 113 -8.675 18.419 1.960 753 HG22 VAL 113 1HG2 VAL 113 -10.093 17.585 1.334 754 HG23 VAL 113 2HG2 VAL 113 -8.503 16.828 1.221 755 H GLU 114 H GLU 114 -10.315 19.460 6.001 756 HA GLU 114 HA GLU 114 -12.476 20.355 4.219 757 HB2 GLU 114 2HB GLU 114 -12.292 19.941 7.160 758 HB3 GLU 114 1HB GLU 114 -13.322 21.241 6.587 759 HG2 GLU 114 2HG GLU 114 -14.312 19.418 5.028 760 HG3 GLU 114 1HG GLU 114 -13.582 18.296 6.165 Start of MODEL 19 1 H THR 26 H THR 26 -7.861 -17.563 -10.473 2 HA THR 26 HA THR 26 -6.409 -17.255 -8.100 3 HB THR 26 HB THR 26 -4.414 -17.009 -9.370 4 HG1 THR 26 1HG THR 26 -5.323 -14.371 -8.882 5 HG21 THR 26 3HG2 THR 26 -4.209 -15.222 -11.119 6 HG22 THR 26 1HG2 THR 26 -5.971 -15.148 -11.136 7 HG23 THR 26 2HG2 THR 26 -5.146 -16.642 -11.581 8 H SER 27 H SER 27 -6.822 -15.232 -7.052 9 HA SER 27 HA SER 27 -8.935 -13.643 -8.354 10 HB2 SER 27 2HB SER 27 -9.576 -15.196 -6.367 11 HB3 SER 27 1HB SER 27 -8.775 -13.981 -5.371 12 H LYS 28 H LYS 28 -9.218 -11.566 -6.704 13 HA LYS 28 HA LYS 28 -6.899 -10.444 -5.612 14 HB2 LYS 28 2HB LYS 28 -6.244 -8.841 -7.317 15 HB3 LYS 28 1HB LYS 28 -6.099 -10.477 -7.945 16 HG2 LYS 28 2HG LYS 28 -8.649 -9.059 -8.446 17 HG3 LYS 28 1HG LYS 28 -7.222 -8.504 -9.322 18 HD2 LYS 28 2HD LYS 28 -8.160 -11.368 -9.241 19 HD3 LYS 28 1HD LYS 28 -8.551 -10.231 -10.532 20 HE2 LYS 28 2HE LYS 28 -6.042 -9.903 -10.786 21 HE3 LYS 28 1HE LYS 28 -5.859 -11.322 -9.757 22 HZ1 LYS 28 3HZ LYS 28 -6.769 -11.136 -12.510 23 HZ2 LYS 28 1HZ LYS 28 -7.568 -12.265 -11.541 24 HZ3 LYS 28 2HZ LYS 28 -5.891 -12.359 -11.742 25 H GLN 29 H GLN 29 -7.113 -8.053 -5.277 26 HA GLN 29 HA GLN 29 -9.876 -7.100 -5.405 27 HB2 GLN 29 2HB GLN 29 -8.903 -8.181 -3.085 28 HB3 GLN 29 1HB GLN 29 -8.513 -6.473 -2.872 29 HG2 GLN 29 2HG GLN 29 -10.582 -6.254 -2.100 30 HG3 GLN 29 1HG GLN 29 -11.103 -6.401 -3.777 31 HE21 GLN 29 1HE2 GLN 29 -12.974 -7.099 -2.182 32 HE22 GLN 29 2HE2 GLN 29 -13.126 -8.810 -1.994 33 H GLU 30 H GLU 30 -10.089 -4.883 -5.558 34 HA GLU 30 HA GLU 30 -7.570 -3.368 -5.643 35 HB2 GLU 30 2HB GLU 30 -8.178 -2.302 -7.656 36 HB3 GLU 30 1HB GLU 30 -8.509 -4.011 -7.905 37 HG2 GLU 30 2HG GLU 30 -10.460 -3.271 -8.707 38 HG3 GLU 30 1HG GLU 30 -10.911 -3.174 -7.005 39 H LEU 31 H LEU 31 -7.543 -1.628 -4.413 40 HA LEU 31 HA LEU 31 -10.109 -0.490 -3.524 41 HB2 LEU 31 2HB LEU 31 -7.435 -0.530 -2.124 42 HB3 LEU 31 1HB LEU 31 -8.857 0.307 -1.532 43 HG LEU 31 HG LEU 31 -9.917 -2.129 -1.742 44 HD11 LEU 31 1HD1 LEU 31 -8.390 -3.873 -1.255 45 HD12 LEU 31 2HD1 LEU 31 -7.053 -2.741 -1.053 46 HD13 LEU 31 3HD1 LEU 31 -7.745 -3.012 -2.653 47 HD21 LEU 31 3HD2 LEU 31 -8.252 -0.980 0.480 48 HD22 LEU 31 1HD2 LEU 31 -9.170 -2.474 0.664 49 HD23 LEU 31 2HD2 LEU 31 -10.006 -0.966 0.300 50 H ILE 32 H ILE 32 -10.322 1.767 -3.413 51 HA ILE 32 HA ILE 32 -8.322 3.245 -4.994 52 HB ILE 32 HB ILE 32 -10.113 4.790 -5.634 53 HG12 ILE 32 2HG1 ILE 32 -12.481 3.474 -5.107 54 HG13 ILE 32 1HG1 ILE 32 -11.583 3.266 -3.607 55 HG21 ILE 32 1HG2 ILE 32 -11.537 2.989 -6.893 56 HG22 ILE 32 2HG2 ILE 32 -10.328 1.881 -6.243 57 HG23 ILE 32 3HG2 ILE 32 -9.834 3.216 -7.274 58 HD11 ILE 32 3HD1 ILE 32 -12.978 5.552 -4.565 59 HD12 ILE 32 1HD1 ILE 32 -11.273 5.954 -4.369 60 HD13 ILE 32 2HD1 ILE 32 -12.185 5.301 -3.009 61 H LEU 33 H LEU 33 -7.578 5.205 -4.275 62 HA LEU 33 HA LEU 33 -8.584 6.167 -1.688 63 HB2 LEU 33 2HB LEU 33 -5.657 6.332 -2.220 64 HB3 LEU 33 1HB LEU 33 -6.516 6.242 -0.688 65 HG LEU 33 HG LEU 33 -7.052 3.807 -1.378 66 HD11 LEU 33 1HD1 LEU 33 -4.532 3.698 -2.845 67 HD12 LEU 33 2HD1 LEU 33 -5.816 4.547 -3.703 68 HD13 LEU 33 3HD1 LEU 33 -6.067 2.889 -3.159 69 HD21 LEU 33 3HD2 LEU 33 -4.170 3.924 -0.889 70 HD22 LEU 33 1HD2 LEU 33 -5.459 3.210 0.079 71 HD23 LEU 33 2HD2 LEU 33 -5.127 4.939 0.190 72 H VAL 34 H VAL 34 -8.027 8.415 -1.235 73 HA VAL 34 HA VAL 34 -7.067 10.036 -3.430 74 HB VAL 34 HB VAL 34 -9.863 10.508 -2.394 75 HG11 VAL 34 1HG1 VAL 34 -9.801 11.947 -4.581 76 HG12 VAL 34 2HG1 VAL 34 -8.056 11.912 -4.301 77 HG13 VAL 34 3HG1 VAL 34 -9.142 12.575 -3.076 78 HG21 VAL 34 3HG2 VAL 34 -8.940 9.258 -4.978 79 HG22 VAL 34 1HG2 VAL 34 -10.588 9.823 -4.674 80 HG23 VAL 34 2HG2 VAL 34 -9.913 8.505 -3.715 81 H LEU 35 H LEU 35 -5.799 11.481 -2.576 82 HA LEU 35 HA LEU 35 -6.262 12.356 0.190 83 HB2 LEU 35 2HB LEU 35 -4.014 11.336 -1.040 84 HB3 LEU 35 1HB LEU 35 -3.711 13.071 -1.049 85 HG LEU 35 HG LEU 35 -4.647 12.322 1.551 86 HD11 LEU 35 1HD1 LEU 35 -2.600 10.520 0.341 87 HD12 LEU 35 2HD1 LEU 35 -3.937 10.135 1.425 88 HD13 LEU 35 3HD1 LEU 35 -2.498 10.943 2.047 89 HD21 LEU 35 3HD2 LEU 35 -1.939 13.224 0.574 90 HD22 LEU 35 1HD2 LEU 35 -2.513 13.277 2.240 91 HD23 LEU 35 2HD2 LEU 35 -3.283 14.279 1.010 92 H LYS 36 H LYS 36 -6.580 14.461 0.677 93 HA LYS 36 HA LYS 36 -5.830 16.611 -1.014 94 HB2 LYS 36 2HB LYS 36 -8.507 15.444 -1.351 95 HB3 LYS 36 1HB LYS 36 -8.507 17.183 -1.078 96 HG2 LYS 36 2HG LYS 36 -6.566 16.982 -2.934 97 HG3 LYS 36 1HG LYS 36 -7.596 15.633 -3.394 98 HD2 LYS 36 2HD LYS 36 -9.238 16.971 -4.129 99 HD3 LYS 36 1HD LYS 36 -9.055 18.090 -2.771 100 HE2 LYS 36 2HE LYS 36 -7.995 19.528 -4.107 101 HE3 LYS 36 1HE LYS 36 -6.752 18.320 -4.410 102 HZ1 LYS 36 3HZ LYS 36 -8.666 17.456 -6.040 103 HZ2 LYS 36 1HZ LYS 36 -7.476 18.562 -6.518 104 HZ3 LYS 36 2HZ LYS 36 -9.009 19.117 -6.062 105 H GLY 37 H GLY 37 -5.472 18.276 0.293 106 HA2 GLY 37 2HA GLY 37 -7.314 19.032 2.366 107 HA3 GLY 37 1HA GLY 37 -5.838 18.313 3.007 108 H GLU 38 H GLU 38 -3.831 19.278 1.636 109 HA GLU 38 HA GLU 38 -4.145 22.206 1.655 110 HB2 GLU 38 2HB GLU 38 -1.768 20.656 2.692 111 HB3 GLU 38 1HB GLU 38 -1.912 22.402 2.637 112 HG2 GLU 38 2HG GLU 38 -3.180 22.486 4.483 113 HG3 GLU 38 1HG GLU 38 -4.082 21.030 4.056 114 H LEU 39 H LEU 39 -1.726 19.739 0.772 115 HA LEU 39 HA LEU 39 -1.761 20.601 -1.987 116 HB2 LEU 39 2HB LEU 39 0.415 21.360 -0.107 117 HB3 LEU 39 1HB LEU 39 0.891 20.818 -1.711 118 HG LEU 39 HG LEU 39 -0.989 23.112 -1.140 119 HD11 LEU 39 1HD1 LEU 39 0.972 24.104 -0.595 120 HD12 LEU 39 2HD1 LEU 39 1.119 24.233 -2.357 121 HD13 LEU 39 3HD1 LEU 39 1.939 22.932 -1.488 122 HD21 LEU 39 3HD2 LEU 39 -0.393 23.535 -3.629 123 HD22 LEU 39 1HD2 LEU 39 -1.632 22.354 -3.225 124 HD23 LEU 39 2HD2 LEU 39 -0.007 21.816 -3.649 125 H ASP 40 H ASP 40 -0.232 19.299 -3.328 126 HA ASP 40 HA ASP 40 -0.536 16.566 -2.789 127 HB2 ASP 40 2HB ASP 40 0.495 18.186 -4.912 128 HB3 ASP 40 1HB ASP 40 1.638 16.885 -4.595 129 H LEU 41 H LEU 41 2.670 18.002 -3.296 130 HA LEU 41 HA LEU 41 4.690 17.575 -2.340 131 HB2 LEU 41 2HB LEU 41 2.775 17.802 -0.096 132 HB3 LEU 41 1HB LEU 41 4.324 17.078 0.293 133 HG LEU 41 HG LEU 41 4.633 19.516 -1.257 134 HD11 LEU 41 1HD1 LEU 41 3.730 20.143 1.475 135 HD12 LEU 41 2HD1 LEU 41 2.471 19.736 0.313 136 HD13 LEU 41 3HD1 LEU 41 3.574 21.069 -0.015 137 HD21 LEU 41 3HD2 LEU 41 6.568 18.920 -0.222 138 HD22 LEU 41 1HD2 LEU 41 5.739 18.227 1.168 139 HD23 LEU 41 2HD2 LEU 41 5.918 19.975 1.021 140 H HIS 42 H HIS 42 5.682 15.913 -0.492 141 HA HIS 42 HA HIS 42 5.632 13.400 -1.751 142 HB2 HIS 42 2HB HIS 42 6.925 12.644 0.273 143 HB3 HIS 42 1HB HIS 42 7.591 14.061 -0.527 144 HD1 HIS 42 1HD HIS 42 7.407 16.328 0.732 145 HD2 HIS 42 2HD HIS 42 6.028 13.050 2.869 146 HE1 HIS 42 1HE HIS 42 7.183 17.128 3.101 147 HE2 HIS 42 2HE HIS 42 6.431 15.101 4.394 148 H SER 43 H SER 43 3.364 12.914 -1.816 149 HA SER 43 HA SER 43 1.688 12.622 0.378 150 HB2 SER 43 2HB SER 43 1.737 11.558 -2.396 151 HB3 SER 43 1HB SER 43 0.701 10.714 -1.248 152 HG SER 43 HG SER 43 0.641 13.522 -1.572 153 H LYS 44 H LYS 44 1.420 11.114 1.917 154 HA LYS 44 HA LYS 44 3.436 9.067 2.188 155 HB2 LYS 44 2HB LYS 44 1.127 9.905 3.944 156 HB3 LYS 44 1HB LYS 44 2.235 8.606 4.358 157 HG2 LYS 44 2HG LYS 44 4.078 10.386 4.027 158 HG3 LYS 44 1HG LYS 44 2.754 11.542 4.193 159 HD2 LYS 44 2HD LYS 44 3.402 11.353 6.379 160 HD3 LYS 44 1HD LYS 44 2.193 10.080 6.312 161 HE2 LYS 44 2HE LYS 44 4.045 8.468 5.810 162 HE3 LYS 44 1HE LYS 44 5.184 9.779 6.131 163 HZ1 LYS 44 3HZ LYS 44 3.551 8.238 7.985 164 HZ2 LYS 44 1HZ LYS 44 3.726 9.889 8.335 165 HZ3 LYS 44 2HZ LYS 44 5.095 8.905 8.195 166 H ASN 45 H ASN 45 0.574 9.189 0.546 167 HA ASN 45 HA ASN 45 -0.783 6.856 1.190 168 HB2 ASN 45 2HB ASN 45 -1.165 8.786 -0.642 169 HB3 ASN 45 1HB ASN 45 -0.549 7.519 -1.694 170 HD21 ASN 45 1HD2 ASN 45 -3.273 8.839 -0.511 171 HD22 ASN 45 2HD2 ASN 45 -4.340 7.488 -0.618 172 H MET 46 H MET 46 1.783 7.282 -1.251 173 HA MET 46 HA MET 46 1.951 4.607 -2.040 174 HB2 MET 46 2HB MET 46 4.220 5.185 -2.851 175 HB3 MET 46 1HB MET 46 2.998 6.361 -3.335 176 HG2 MET 46 2HG MET 46 3.719 7.840 -1.532 177 HG3 MET 46 1HG MET 46 4.952 6.668 -1.070 178 HE1 MET 46 3HE MET 46 6.633 6.054 -4.245 179 HE2 MET 46 1HE MET 46 6.522 5.713 -2.520 180 HE3 MET 46 2HE MET 46 7.711 6.869 -3.123 181 H LYS 47 H LYS 47 3.716 6.370 0.479 182 HA LYS 47 HA LYS 47 5.291 4.136 1.278 183 HB2 LYS 47 2HB LYS 47 4.597 6.574 2.928 184 HB3 LYS 47 1HB LYS 47 5.977 5.506 3.144 185 HG2 LYS 47 2HG LYS 47 6.819 6.228 0.927 186 HG3 LYS 47 1HG LYS 47 5.486 7.379 0.840 187 HD2 LYS 47 2HD LYS 47 6.526 8.821 2.200 188 HD3 LYS 47 1HD LYS 47 6.965 7.550 3.342 189 HE2 LYS 47 2HE LYS 47 8.914 8.719 2.313 190 HE3 LYS 47 1HE LYS 47 8.896 6.969 2.054 191 HZ1 LYS 47 3HZ LYS 47 9.430 8.468 0.078 192 HZ2 LYS 47 1HZ LYS 47 7.776 8.824 0.045 193 HZ3 LYS 47 2HZ LYS 47 8.302 7.232 -0.162 194 H ASN 48 H ASN 48 2.065 5.130 1.929 195 HA ASN 48 HA ASN 48 1.769 3.774 4.429 196 HB2 ASN 48 2HB ASN 48 0.043 5.276 2.577 197 HB3 ASN 48 1HB ASN 48 -0.776 3.988 3.453 198 HD21 ASN 48 1HD2 ASN 48 0.293 3.968 5.866 199 HD22 ASN 48 2HD2 ASN 48 0.085 5.491 6.666 200 H VAL 49 H VAL 49 1.265 2.944 1.048 201 HA VAL 49 HA VAL 49 -0.049 0.457 1.616 202 HB VAL 49 HB VAL 49 1.292 1.252 -0.967 203 HG11 VAL 49 1HG1 VAL 49 0.800 -1.000 -1.156 204 HG12 VAL 49 2HG1 VAL 49 -0.655 -0.251 -1.808 205 HG13 VAL 49 3HG1 VAL 49 -0.650 -0.874 -0.160 206 HG21 VAL 49 3HG2 VAL 49 -0.490 2.854 0.049 207 HG22 VAL 49 1HG2 VAL 49 -1.631 1.604 -0.449 208 HG23 VAL 49 2HG2 VAL 49 -0.603 2.388 -1.648 209 H ILE 50 H ILE 50 3.236 1.420 0.681 210 HA ILE 50 HA ILE 50 4.292 -1.170 0.425 211 HB ILE 50 HB ILE 50 5.460 0.832 -0.396 212 HG12 ILE 50 2HG1 ILE 50 7.443 -0.202 1.530 213 HG13 ILE 50 1HG1 ILE 50 6.574 -1.434 0.621 214 HG21 ILE 50 1HG2 ILE 50 6.196 1.401 2.465 215 HG22 ILE 50 2HG2 ILE 50 4.895 2.230 1.611 216 HG23 ILE 50 3HG2 ILE 50 6.556 2.373 1.038 217 HD11 ILE 50 3HD1 ILE 50 8.819 -0.092 -0.203 218 HD12 ILE 50 1HD1 ILE 50 7.519 0.739 -1.057 219 HD13 ILE 50 2HD1 ILE 50 7.717 -1.005 -1.235 220 H ASN 51 H ASN 51 3.844 0.923 3.210 221 HA ASN 51 HA ASN 51 5.343 -0.714 5.015 222 HB2 ASN 51 2HB ASN 51 3.581 1.676 5.248 223 HB3 ASN 51 1HB ASN 51 3.837 0.708 6.696 224 HD21 ASN 51 1HD2 ASN 51 4.992 2.290 7.737 225 HD22 ASN 51 2HD2 ASN 51 6.590 2.741 7.266 226 H ASN 52 H ASN 52 1.895 -0.289 4.304 227 HA ASN 52 HA ASN 52 1.024 -2.186 6.246 228 HB2 ASN 52 2HB ASN 52 -0.230 -0.589 4.086 229 HB3 ASN 52 1HB ASN 52 -1.069 -2.069 4.541 230 HD21 ASN 52 1HD2 ASN 52 0.142 1.003 5.705 231 HD22 ASN 52 2HD2 ASN 52 -0.892 1.105 7.084 232 H ALA 53 H ALA 53 1.462 -2.297 2.728 233 HA ALA 53 HA ALA 53 0.582 -4.904 2.292 234 HB1 ALA 53 1HB ALA 53 0.915 -3.541 0.399 235 HB2 ALA 53 2HB ALA 53 2.138 -4.807 0.282 236 HB3 ALA 53 3HB ALA 53 2.587 -3.197 0.842 237 H LYS 54 H LYS 54 3.614 -3.697 3.536 238 HA LYS 54 HA LYS 54 4.953 -6.249 3.322 239 HB2 LYS 54 2HB LYS 54 5.965 -3.811 3.324 240 HB3 LYS 54 1HB LYS 54 5.964 -4.042 5.067 241 HG2 LYS 54 2HG LYS 54 8.097 -4.688 4.351 242 HG3 LYS 54 1HG LYS 54 7.228 -6.198 4.634 243 HD2 LYS 54 2HD LYS 54 8.052 -6.715 2.591 244 HD3 LYS 54 1HD LYS 54 6.637 -5.815 2.043 245 HE2 LYS 54 2HE LYS 54 9.061 -4.226 2.608 246 HE3 LYS 54 1HE LYS 54 9.144 -5.303 1.214 247 HZ1 LYS 54 3HZ LYS 54 6.794 -3.572 1.523 248 HZ2 LYS 54 1HZ LYS 54 7.526 -4.150 0.112 249 HZ3 LYS 54 2HZ LYS 54 8.239 -2.884 0.976 250 H LYS 55 H LYS 55 3.593 -4.243 5.912 251 HA LYS 55 HA LYS 55 4.239 -5.937 8.053 252 HB2 LYS 55 2HB LYS 55 3.219 -3.495 7.957 253 HB3 LYS 55 1HB LYS 55 1.698 -4.366 8.098 254 HG2 LYS 55 2HG LYS 55 2.634 -5.479 10.140 255 HG3 LYS 55 1HG LYS 55 3.998 -4.364 10.034 256 HD2 LYS 55 2HD LYS 55 2.307 -2.488 10.064 257 HD3 LYS 55 1HD LYS 55 1.094 -3.702 10.478 258 HE2 LYS 55 2HE LYS 55 1.659 -3.186 12.594 259 HE3 LYS 55 1HE LYS 55 3.013 -4.274 12.293 260 HZ1 LYS 55 3HZ LYS 55 4.135 -2.461 13.025 261 HZ2 LYS 55 1HZ LYS 55 2.974 -1.359 12.478 262 HZ3 LYS 55 2HZ LYS 55 4.065 -2.051 11.386 263 H ASN 56 H ASN 56 1.578 -5.941 5.774 264 HA ASN 56 HA ASN 56 0.010 -7.888 7.150 265 HB2 ASN 56 2HB ASN 56 -0.041 -7.098 4.226 266 HB3 ASN 56 1HB ASN 56 -1.296 -8.003 5.079 267 HD21 ASN 56 1HD2 ASN 56 -1.261 -5.361 3.681 268 HD22 ASN 56 2HD2 ASN 56 -1.918 -4.250 4.829 269 H LEU 57 H LEU 57 2.176 -8.022 4.331 270 HA LEU 57 HA LEU 57 1.978 -10.685 3.675 271 HB2 LEU 57 2HB LEU 57 4.285 -8.765 3.593 272 HB3 LEU 57 1HB LEU 57 4.487 -10.435 3.075 273 HG LEU 57 HG LEU 57 2.248 -8.872 1.884 274 HD11 LEU 57 1HD1 LEU 57 4.660 -7.659 1.944 275 HD12 LEU 57 2HD1 LEU 57 3.495 -7.484 0.631 276 HD13 LEU 57 3HD1 LEU 57 4.823 -8.637 0.485 277 HD21 LEU 57 3HD2 LEU 57 4.164 -10.633 0.429 278 HD22 LEU 57 1HD2 LEU 57 2.445 -10.359 0.145 279 HD23 LEU 57 2HD2 LEU 57 2.966 -11.361 1.500 280 H GLU 58 H GLU 58 4.428 -9.293 5.859 281 HA GLU 58 HA GLU 58 5.442 -11.743 6.767 282 HB2 GLU 58 2HB GLU 58 5.397 -9.048 8.136 283 HB3 GLU 58 1HB GLU 58 6.358 -10.421 8.666 284 HG2 GLU 58 2HG GLU 58 6.746 -9.722 5.858 285 HG3 GLU 58 1HG GLU 58 7.199 -8.445 6.986 286 H LYS 59 H LYS 59 2.595 -9.973 7.634 287 HA LYS 59 HA LYS 59 2.119 -11.014 10.193 288 HB2 LYS 59 2HB LYS 59 0.830 -9.252 8.529 289 HB3 LYS 59 1HB LYS 59 -0.277 -10.617 8.541 290 HG2 LYS 59 2HG LYS 59 -0.714 -10.417 10.795 291 HG3 LYS 59 1HG LYS 59 0.793 -9.558 11.117 292 HD2 LYS 59 2HD LYS 59 -0.674 -7.811 11.242 293 HD3 LYS 59 1HD LYS 59 -0.308 -7.762 9.516 294 HE2 LYS 59 2HE LYS 59 -2.680 -9.136 10.778 295 HE3 LYS 59 1HE LYS 59 -2.716 -7.581 9.947 296 HZ1 LYS 59 3HZ LYS 59 -2.292 -10.270 8.812 297 HZ2 LYS 59 1HZ LYS 59 -1.751 -8.895 7.989 298 HZ3 LYS 59 2HZ LYS 59 -3.395 -9.080 8.338 299 H TYR 60 H TYR 60 1.599 -12.338 7.000 300 HA TYR 60 HA TYR 60 0.079 -14.593 8.010 301 HB2 TYR 60 2HB TYR 60 1.193 -14.433 5.225 302 HB3 TYR 60 1HB TYR 60 -0.297 -15.196 5.786 303 HD1 TYR 60 1HD TYR 60 -2.130 -13.573 6.692 304 HD2 TYR 60 2HD TYR 60 1.099 -12.359 4.203 305 HE1 TYR 60 1HE TYR 60 -3.400 -11.574 6.028 306 HE2 TYR 60 2HE TYR 60 -0.161 -10.356 3.533 307 HH TYR 60 HH TYR 60 -2.607 -9.677 3.409 308 H PHE 61 H PHE 61 3.324 -13.872 6.883 309 HA PHE 61 HA PHE 61 4.201 -16.599 6.871 310 HB2 PHE 61 2HB PHE 61 5.155 -14.444 5.648 311 HB3 PHE 61 1HB PHE 61 6.139 -14.339 7.110 312 HD1 PHE 61 1HD PHE 61 7.196 -16.715 7.802 313 HD2 PHE 61 2HD PHE 61 6.076 -15.541 3.869 314 HE1 PHE 61 1HE PHE 61 8.761 -18.367 6.869 315 HE2 PHE 61 2HE PHE 61 7.639 -17.192 2.927 316 HZ PHE 61 HZ PHE 61 8.984 -18.606 4.428 317 H LYS 62 H LYS 62 4.202 -13.975 9.190 318 HA LYS 62 HA LYS 62 5.887 -15.443 11.040 319 HB2 LYS 62 2HB LYS 62 5.591 -12.793 10.608 320 HB3 LYS 62 1HB LYS 62 4.481 -13.006 11.956 321 HG2 LYS 62 2HG LYS 62 6.280 -13.990 13.283 322 HG3 LYS 62 1HG LYS 62 7.393 -13.775 11.931 323 HD2 LYS 62 2HD LYS 62 7.874 -11.858 13.043 324 HD3 LYS 62 1HD LYS 62 6.482 -11.270 12.132 325 HE2 LYS 62 2HE LYS 62 5.872 -12.574 14.704 326 HE3 LYS 62 1HE LYS 62 6.744 -11.046 14.811 327 HZ1 LYS 62 3HZ LYS 62 4.099 -11.217 14.645 328 HZ2 LYS 62 1HZ LYS 62 4.473 -11.087 13.000 329 HZ3 LYS 62 2HZ LYS 62 4.976 -9.887 14.080 330 H GLU 63 H GLU 63 2.504 -14.483 10.734 331 HA GLU 63 HA GLU 63 1.837 -15.753 13.260 332 HB2 GLU 63 2HB GLU 63 0.824 -13.569 12.096 333 HB3 GLU 63 1HB GLU 63 -0.292 -14.766 11.441 334 HG2 GLU 63 2HG GLU 63 -0.301 -15.473 14.039 335 HG3 GLU 63 1HG GLU 63 0.003 -13.742 14.183 336 H HIS 64 H HIS 64 0.857 -16.125 9.841 337 HA HIS 64 HA HIS 64 -0.209 -18.760 10.526 338 HB2 HIS 64 2HB HIS 64 -1.325 -16.801 9.030 339 HB3 HIS 64 1HB HIS 64 -0.552 -17.758 7.771 340 HD1 HIS 64 1HD HIS 64 -1.063 -20.564 9.096 341 HD2 HIS 64 2HD HIS 64 -3.914 -17.590 8.550 342 HE1 HIS 64 1HE HIS 64 -3.280 -21.752 9.083 343 HE2 HIS 64 2HE HIS 64 -4.995 -19.922 8.844 344 H PHE 65 H PHE 65 2.691 -17.772 9.808 345 HA PHE 65 HA PHE 65 4.547 -18.673 8.850 346 HB2 PHE 65 2HB PHE 65 3.445 -20.670 10.117 347 HB3 PHE 65 1HB PHE 65 3.106 -21.272 8.491 348 HD1 PHE 65 1HD PHE 65 4.912 -21.952 7.019 349 HD2 PHE 65 2HD PHE 65 5.689 -20.575 10.969 350 HE1 PHE 65 1HE PHE 65 7.190 -22.871 6.888 351 HE2 PHE 65 2HE PHE 65 7.968 -21.490 10.845 352 HZ PHE 65 HZ PHE 65 8.722 -22.641 8.802 353 H LYS 66 H LYS 66 5.432 -18.629 6.865 354 HA LYS 66 HA LYS 66 5.621 -18.550 4.599 355 HB2 LYS 66 2HB LYS 66 4.696 -20.938 4.940 356 HB3 LYS 66 1HB LYS 66 3.169 -20.276 4.375 357 HG2 LYS 66 2HG LYS 66 4.035 -19.800 2.247 358 HG3 LYS 66 1HG LYS 66 5.702 -20.001 2.792 359 HD2 LYS 66 2HD LYS 66 4.084 -22.380 3.234 360 HD3 LYS 66 1HD LYS 66 4.151 -21.912 1.534 361 HE2 LYS 66 2HE LYS 66 5.977 -23.357 1.846 362 HE3 LYS 66 1HE LYS 66 6.668 -21.734 1.843 363 HZ1 LYS 66 3HZ LYS 66 6.845 -21.777 4.201 364 HZ2 LYS 66 1HZ LYS 66 7.521 -23.217 3.625 365 HZ3 LYS 66 2HZ LYS 66 5.977 -23.223 4.315 366 H GLU 67 H GLU 67 4.963 -17.198 2.983 367 HA GLU 67 HA GLU 67 2.410 -15.805 3.431 368 HB2 GLU 67 2HB GLU 67 3.379 -13.872 2.357 369 HB3 GLU 67 1HB GLU 67 4.458 -14.419 3.633 370 HG2 GLU 67 2HG GLU 67 6.113 -14.483 2.175 371 HG3 GLU 67 1HG GLU 67 5.259 -15.738 1.279 372 H PHE 68 H PHE 68 1.096 -15.266 1.652 373 HA PHE 68 HA PHE 68 1.745 -16.501 -0.917 374 HB2 PHE 68 2HB PHE 68 -0.367 -17.387 0.936 375 HB3 PHE 68 1HB PHE 68 -0.903 -17.142 -0.722 376 HD1 PHE 68 2HD PHE 68 1.580 -18.933 1.360 377 HD2 PHE 68 1HD PHE 68 -0.435 -18.720 -2.383 378 HE1 PHE 68 2HE PHE 68 2.495 -21.133 0.747 379 HE2 PHE 68 1HE PHE 68 0.476 -20.921 -3.001 380 HZ PHE 68 HZ PHE 68 1.943 -22.130 -1.437 381 H ASP 69 H ASP 69 -0.601 -14.572 0.920 382 HA ASP 69 HA ASP 69 -1.884 -13.374 -1.256 383 HB2 ASP 69 2HB ASP 69 -2.784 -13.284 1.017 384 HB3 ASP 69 1HB ASP 69 -1.433 -12.277 1.528 385 H LYS 70 H LYS 70 -1.042 -12.141 -2.790 386 HA LYS 70 HA LYS 70 1.267 -10.438 -2.133 387 HB2 LYS 70 2HB LYS 70 0.314 -11.441 -4.825 388 HB3 LYS 70 1HB LYS 70 1.719 -10.417 -4.561 389 HG2 LYS 70 2HG LYS 70 2.832 -12.163 -3.342 390 HG3 LYS 70 1HG LYS 70 1.392 -13.180 -3.415 391 HD2 LYS 70 2HD LYS 70 2.919 -13.949 -5.086 392 HD3 LYS 70 1HD LYS 70 1.585 -13.138 -5.908 393 HE2 LYS 70 2HE LYS 70 3.646 -12.457 -6.931 394 HE3 LYS 70 1HE LYS 70 2.979 -11.091 -6.038 395 HZ1 LYS 70 3HZ LYS 70 5.140 -12.885 -5.071 396 HZ2 LYS 70 1HZ LYS 70 4.515 -11.550 -4.240 397 HZ3 LYS 70 2HZ LYS 70 5.363 -11.325 -5.686 398 H ILE 71 H ILE 71 1.334 -8.287 -3.098 399 HA ILE 71 HA ILE 71 -1.275 -7.235 -3.904 400 HB ILE 71 HB ILE 71 -1.113 -6.851 -1.486 401 HG12 ILE 71 2HG1 ILE 71 -0.698 -4.164 -2.746 402 HG13 ILE 71 1HG1 ILE 71 -2.063 -5.154 -3.253 403 HG21 ILE 71 1HG2 ILE 71 1.015 -4.841 -1.734 404 HG22 ILE 71 2HG2 ILE 71 1.536 -6.522 -1.875 405 HG23 ILE 71 3HG2 ILE 71 0.672 -5.986 -0.435 406 HD11 ILE 71 3HD1 ILE 71 -3.123 -4.098 -1.591 407 HD12 ILE 71 1HD1 ILE 71 -1.623 -3.668 -0.769 408 HD13 ILE 71 2HD1 ILE 71 -2.309 -5.280 -0.563 409 H SER 72 H SER 72 -1.234 -5.473 -5.230 410 HA SER 72 HA SER 72 1.393 -4.416 -6.016 411 HB2 SER 72 2HB SER 72 -0.709 -5.674 -7.713 412 HB3 SER 72 1HB SER 72 0.093 -4.245 -8.359 413 HG SER 72 HG SER 72 1.365 -5.892 -8.984 414 H TYR 73 H TYR 73 1.417 -2.306 -5.601 415 HA TYR 73 HA TYR 73 -1.106 -0.812 -5.875 416 HB2 TYR 73 2HB TYR 73 -0.531 0.512 -3.985 417 HB3 TYR 73 1HB TYR 73 -0.259 -1.158 -3.521 418 HD1 TYR 73 2HD TYR 73 2.086 -2.032 -3.418 419 HD2 TYR 73 1HD TYR 73 1.231 2.095 -3.989 420 HE1 TYR 73 2HE TYR 73 4.388 -1.471 -2.758 421 HE2 TYR 73 1HE TYR 73 3.530 2.669 -3.330 422 HH TYR 73 HH TYR 73 5.712 1.661 -3.193 423 H ASP 74 H ASP 74 -0.968 1.380 -6.534 424 HA ASP 74 HA ASP 74 1.551 2.361 -7.583 425 HB2 ASP 74 2HB ASP 74 0.188 0.869 -9.320 426 HB3 ASP 74 1HB ASP 74 -0.694 2.375 -9.546 427 H ILE 75 H ILE 75 1.492 4.600 -8.128 428 HA ILE 75 HA ILE 75 -0.898 6.012 -7.154 429 HB ILE 75 HB ILE 75 0.513 7.762 -6.221 430 HG12 ILE 75 2HG1 ILE 75 2.434 7.352 -7.828 431 HG13 ILE 75 1HG1 ILE 75 2.892 7.654 -6.150 432 HG21 ILE 75 1HG2 ILE 75 0.446 6.654 -4.308 433 HG22 ILE 75 2HG2 ILE 75 1.835 5.677 -4.783 434 HG23 ILE 75 3HG2 ILE 75 0.203 5.156 -5.207 435 HD11 ILE 75 3HD1 ILE 75 2.590 4.864 -6.447 436 HD12 ILE 75 1HD1 ILE 75 4.064 5.786 -6.158 437 HD13 ILE 75 2HD1 ILE 75 3.544 5.447 -7.811 438 H SER 76 H SER 76 -1.563 7.806 -8.259 439 HA SER 76 HA SER 76 -0.036 8.507 -10.680 440 HB2 SER 76 2HB SER 76 -2.413 7.217 -10.755 441 HB3 SER 76 1HB SER 76 -2.975 8.887 -10.734 442 HG SER 76 HG SER 76 -2.465 7.840 -12.859 443 H THR 77 H THR 77 0.854 10.420 -10.178 444 HA THR 77 HA THR 77 -0.447 12.345 -8.511 445 HB THR 77 HB THR 77 1.788 13.270 -10.196 446 HG1 THR 77 1HG THR 77 3.288 11.969 -9.046 447 HG21 THR 77 3HG2 THR 77 2.750 13.837 -7.976 448 HG22 THR 77 1HG2 THR 77 1.278 13.214 -7.239 449 HG23 THR 77 2HG2 THR 77 1.199 14.602 -8.327 450 HA PRO 78 HA PRO 78 -0.595 14.700 -12.911 451 HB2 PRO 78 2HB PRO 78 -1.253 12.182 -14.380 452 HB3 PRO 78 1HB PRO 78 -0.410 13.628 -14.946 453 HG2 PRO 78 2HG PRO 78 0.949 11.424 -14.335 454 HG3 PRO 78 1HG PRO 78 1.583 13.023 -13.931 455 HD2 PRO 78 2HD PRO 78 0.371 10.966 -12.163 456 HD3 PRO 78 1HD PRO 78 1.640 12.153 -11.808 457 H ILE 79 H ILE 79 -2.482 11.865 -11.978 458 HA ILE 79 HA ILE 79 -4.951 13.266 -12.735 459 HB ILE 79 HB ILE 79 -4.673 10.384 -11.875 460 HG12 ILE 79 2HG1 ILE 79 -3.367 10.801 -13.922 461 HG13 ILE 79 1HG1 ILE 79 -4.789 9.819 -14.263 462 HG21 ILE 79 1HG2 ILE 79 -6.902 10.997 -11.596 463 HG22 ILE 79 2HG2 ILE 79 -6.869 10.282 -13.208 464 HG23 ILE 79 3HG2 ILE 79 -6.886 12.032 -13.022 465 HD11 ILE 79 3HD1 ILE 79 -5.435 12.583 -14.595 466 HD12 ILE 79 1HD1 ILE 79 -5.473 11.275 -15.775 467 HD13 ILE 79 2HD1 ILE 79 -3.987 12.189 -15.519 468 H ASN 80 H ASN 80 -3.042 12.491 -10.024 469 HA ASN 80 HA ASN 80 -3.319 12.832 -7.791 470 HB2 ASN 80 2HB ASN 80 -4.736 14.847 -8.939 471 HB3 ASN 80 1HB ASN 80 -6.000 14.055 -8.012 472 HD21 ASN 80 1HD2 ASN 80 -3.801 16.446 -7.905 473 HD22 ASN 80 2HD2 ASN 80 -3.538 16.550 -6.199 474 H PHE 81 H PHE 81 -4.351 10.452 -9.111 475 HA PHE 81 HA PHE 81 -6.394 9.688 -7.138 476 HB2 PHE 81 2HB PHE 81 -6.831 9.750 -9.808 477 HB3 PHE 81 1HB PHE 81 -6.218 8.107 -9.629 478 HD1 PHE 81 1HD PHE 81 -8.488 10.286 -7.621 479 HD2 PHE 81 2HD PHE 81 -7.902 6.565 -9.600 480 HE1 PHE 81 1HE PHE 81 -10.709 9.541 -6.867 481 HE2 PHE 81 2HE PHE 81 -10.119 5.811 -8.848 482 HZ PHE 81 HZ PHE 81 -11.526 7.301 -7.482 483 H LEU 82 H LEU 82 -6.212 7.653 -6.176 484 HA LEU 82 HA LEU 82 -3.566 6.402 -6.493 485 HB2 LEU 82 2HB LEU 82 -5.424 6.575 -4.135 486 HB3 LEU 82 1HB LEU 82 -4.052 5.483 -4.179 487 HG LEU 82 HG LEU 82 -3.525 7.520 -2.941 488 HD11 LEU 82 1HD1 LEU 82 -1.466 8.098 -4.074 489 HD12 LEU 82 2HD1 LEU 82 -2.069 7.386 -5.569 490 HD13 LEU 82 3HD1 LEU 82 -1.752 6.361 -4.171 491 HD21 LEU 82 3HD2 LEU 82 -3.555 9.189 -5.373 492 HD22 LEU 82 1HD2 LEU 82 -3.848 9.630 -3.691 493 HD23 LEU 82 2HD2 LEU 82 -5.113 8.840 -4.634 494 H CYS 83 H CYS 83 -3.557 4.514 -7.503 495 HA CYS 83 HA CYS 83 -5.997 2.871 -7.451 496 HB2 CYS 83 2HB CYS 83 -3.897 3.347 -9.505 497 HB3 CYS 83 1HB CYS 83 -4.642 1.753 -9.452 498 HG CYS 83 HG CYS 83 -5.827 3.848 -10.948 499 H ILE 84 H ILE 84 -5.959 0.877 -6.612 500 HA ILE 84 HA ILE 84 -3.356 -0.345 -6.008 501 HB ILE 84 HB ILE 84 -5.668 -0.054 -4.094 502 HG12 ILE 84 2HG1 ILE 84 -3.358 1.498 -4.544 503 HG13 ILE 84 1HG1 ILE 84 -4.503 1.637 -3.216 504 HG21 ILE 84 1HG2 ILE 84 -4.921 -2.304 -3.868 505 HG22 ILE 84 2HG2 ILE 84 -4.255 -1.387 -2.517 506 HG23 ILE 84 3HG2 ILE 84 -3.229 -1.805 -3.890 507 HD11 ILE 84 3HD1 ILE 84 -2.169 -0.242 -3.147 508 HD12 ILE 84 1HD1 ILE 84 -3.177 0.301 -1.807 509 HD13 ILE 84 2HD1 ILE 84 -2.075 1.430 -2.594 510 H PHE 85 H PHE 85 -3.214 -2.375 -6.664 511 HA PHE 85 HA PHE 85 -5.677 -3.953 -6.986 512 HB2 PHE 85 2HB PHE 85 -3.857 -3.098 -9.048 513 HB3 PHE 85 1HB PHE 85 -3.827 -4.854 -8.924 514 HD1 PHE 85 1HD PHE 85 -5.844 -6.164 -9.343 515 HD2 PHE 85 2HD PHE 85 -5.800 -1.938 -9.819 516 HE1 PHE 85 1HE PHE 85 -7.936 -6.293 -10.631 517 HE2 PHE 85 2HE PHE 85 -7.892 -2.058 -11.108 518 HZ PHE 85 HZ PHE 85 -8.963 -4.238 -11.516 519 H ILE 86 H ILE 86 -5.324 -5.115 -5.106 520 HA ILE 86 HA ILE 86 -2.770 -6.399 -4.654 521 HB ILE 86 HB ILE 86 -3.879 -5.539 -2.716 522 HG12 ILE 86 2HG1 ILE 86 -4.107 -8.555 -2.686 523 HG13 ILE 86 1HG1 ILE 86 -2.606 -7.659 -2.476 524 HG21 ILE 86 1HG2 ILE 86 -6.063 -6.835 -2.028 525 HG22 ILE 86 2HG2 ILE 86 -6.221 -7.028 -3.772 526 HG23 ILE 86 3HG2 ILE 86 -6.125 -5.415 -3.070 527 HD11 ILE 86 3HD1 ILE 86 -3.866 -6.515 -0.521 528 HD12 ILE 86 1HD1 ILE 86 -3.208 -8.137 -0.309 529 HD13 ILE 86 2HD1 ILE 86 -4.929 -7.918 -0.627 530 HA PRO 87 HA PRO 87 -4.414 -10.051 -6.785 531 HB2 PRO 87 2HB PRO 87 -1.789 -10.871 -7.451 532 HB3 PRO 87 1HB PRO 87 -2.937 -10.030 -8.494 533 HG2 PRO 87 2HG PRO 87 -0.527 -8.988 -7.541 534 HG3 PRO 87 1HG PRO 87 -1.857 -8.052 -8.243 535 HD2 PRO 87 2HD PRO 87 -1.158 -8.503 -5.374 536 HD3 PRO 87 1HD PRO 87 -1.817 -7.057 -6.164 537 H THR 88 H THR 88 -5.028 -11.614 -5.414 538 HA THR 88 HA THR 88 -3.003 -13.281 -4.183 539 HB THR 88 HB THR 88 -3.282 -11.638 -2.441 540 HG1 THR 88 1HG THR 88 -4.245 -13.017 -0.807 541 HG21 THR 88 3HG2 THR 88 -6.004 -11.578 -3.288 542 HG22 THR 88 1HG2 THR 88 -5.160 -10.512 -2.163 543 HG23 THR 88 2HG2 THR 88 -5.935 -11.984 -1.573 544 H LEU 89 H LEU 89 -4.265 -15.032 -2.777 545 HA LEU 89 HA LEU 89 -6.609 -15.878 -4.351 546 HB2 LEU 89 2HB LEU 89 -4.089 -17.251 -3.797 547 HB3 LEU 89 1HB LEU 89 -5.495 -18.214 -3.392 548 HG LEU 89 HG LEU 89 -6.333 -17.684 -5.755 549 HD11 LEU 89 1HD1 LEU 89 -4.415 -17.290 -7.353 550 HD12 LEU 89 2HD1 LEU 89 -3.473 -16.781 -5.952 551 HD13 LEU 89 3HD1 LEU 89 -4.932 -15.899 -6.401 552 HD21 LEU 89 3HD2 LEU 89 -4.473 -19.361 -6.663 553 HD22 LEU 89 1HD2 LEU 89 -5.765 -19.874 -5.577 554 HD23 LEU 89 2HD2 LEU 89 -4.160 -19.522 -4.934 555 H PHE 90 H PHE 90 -8.228 -15.389 -2.964 556 HA PHE 90 HA PHE 90 -8.060 -15.722 -0.154 557 HB2 PHE 90 2HB PHE 90 -10.420 -15.175 -0.106 558 HB3 PHE 90 1HB PHE 90 -9.591 -14.100 -1.224 559 HD1 PHE 90 2HD PHE 90 -9.757 -14.609 -3.713 560 HD2 PHE 90 1HD PHE 90 -12.253 -16.436 -0.788 561 HE1 PHE 90 2HE PHE 90 -11.373 -15.205 -5.468 562 HE2 PHE 90 1HE PHE 90 -13.875 -17.030 -2.540 563 HZ PHE 90 HZ PHE 90 -13.435 -16.416 -4.883 564 H ASP 91 H ASP 91 -7.379 -17.828 0.185 565 HA ASP 91 HA ASP 91 -9.434 -19.724 0.591 566 HB2 ASP 91 2HB ASP 91 -9.155 -19.943 -1.886 567 HB3 ASP 91 1HB ASP 91 -7.488 -20.445 -1.609 568 H MET 92 H MET 92 -6.006 -20.035 -0.344 569 HA MET 92 HA MET 92 -5.372 -21.861 1.693 570 HB2 MET 92 2HB MET 92 -3.895 -20.283 -0.306 571 HB3 MET 92 1HB MET 92 -2.966 -20.691 1.137 572 HG2 MET 92 2HG MET 92 -4.075 -23.082 0.591 573 HG3 MET 92 1HG MET 92 -3.957 -22.411 -1.035 574 HE1 MET 92 3HE MET 92 -1.201 -21.727 1.967 575 HE2 MET 92 1HE MET 92 -0.534 -23.355 1.849 576 HE3 MET 92 2HE MET 92 -2.239 -23.128 2.238 577 H ASN 93 H ASN 93 -5.488 -18.381 1.644 578 HA ASN 93 HA ASN 93 -3.872 -17.768 3.826 579 HB2 ASN 93 2HB ASN 93 -5.394 -16.310 2.119 580 HB3 ASN 93 1HB ASN 93 -6.371 -16.206 3.580 581 HD21 ASN 93 1HD2 ASN 93 -3.602 -15.110 1.949 582 HD22 ASN 93 2HD2 ASN 93 -2.987 -14.080 3.192 583 H ASN 94 H ASN 94 -7.195 -18.909 3.699 584 HA ASN 94 HA ASN 94 -8.649 -19.612 5.302 585 HB2 ASN 94 2HB ASN 94 -6.738 -21.205 5.648 586 HB3 ASN 94 1HB ASN 94 -6.166 -20.151 6.938 587 HD21 ASN 94 1HD2 ASN 94 -9.267 -21.555 5.922 588 HD22 ASN 94 2HD2 ASN 94 -9.713 -22.130 7.490 589 H MET 95 H MET 95 -7.629 -16.780 5.365 590 HA MET 95 HA MET 95 -9.123 -15.810 7.481 591 HB2 MET 95 2HB MET 95 -6.473 -16.679 8.276 592 HB3 MET 95 1HB MET 95 -6.691 -14.961 8.575 593 HG2 MET 95 2HG MET 95 -8.456 -15.314 10.047 594 HG3 MET 95 1HG MET 95 -8.738 -16.952 9.461 595 HE1 MET 95 3HE MET 95 -6.271 -15.095 12.458 596 HE2 MET 95 1HE MET 95 -6.232 -14.604 10.764 597 HE3 MET 95 2HE MET 95 -4.946 -15.619 11.417 598 H ASP 96 H ASP 96 -9.576 -14.587 5.526 599 HA ASP 96 HA ASP 96 -7.598 -12.778 4.495 600 HB2 ASP 96 2HB ASP 96 -10.552 -13.127 4.019 601 HB3 ASP 96 1HB ASP 96 -9.648 -11.798 3.299 602 H LEU 97 H LEU 97 -7.443 -10.569 4.799 603 HA LEU 97 HA LEU 97 -9.256 -9.287 6.690 604 HB2 LEU 97 2HB LEU 97 -7.062 -10.351 7.743 605 HB3 LEU 97 1HB LEU 97 -6.346 -8.861 7.156 606 HG LEU 97 HG LEU 97 -8.273 -7.693 8.438 607 HD11 LEU 97 1HD1 LEU 97 -9.138 -8.897 10.336 608 HD12 LEU 97 2HD1 LEU 97 -8.214 -10.332 9.890 609 HD13 LEU 97 3HD1 LEU 97 -9.532 -9.777 8.858 610 HD21 LEU 97 3HD2 LEU 97 -6.888 -7.436 10.308 611 HD22 LEU 97 1HD2 LEU 97 -5.781 -7.811 8.987 612 HD23 LEU 97 2HD2 LEU 97 -6.223 -9.062 10.149 613 H LEU 98 H LEU 98 -9.780 -8.345 4.534 614 HA LEU 98 HA LEU 98 -7.897 -6.607 3.270 615 HB2 LEU 98 2HB LEU 98 -10.406 -7.682 2.649 616 HB3 LEU 98 1HB LEU 98 -10.658 -5.948 2.711 617 HG LEU 98 HG LEU 98 -10.154 -6.649 0.444 618 HD11 LEU 98 1HD1 LEU 98 -9.401 -4.504 0.673 619 HD12 LEU 98 2HD1 LEU 98 -7.896 -5.314 0.236 620 HD13 LEU 98 3HD1 LEU 98 -8.233 -4.928 1.924 621 HD21 LEU 98 3HD2 LEU 98 -7.832 -7.501 -0.041 622 HD22 LEU 98 1HD2 LEU 98 -8.914 -8.641 0.759 623 HD23 LEU 98 2HD2 LEU 98 -7.671 -7.805 1.689 624 H LYS 99 H LYS 99 -9.697 -6.334 6.094 625 HA LYS 99 HA LYS 99 -10.529 -3.672 6.105 626 HB2 LYS 99 2HB LYS 99 -10.731 -5.694 7.856 627 HB3 LYS 99 1HB LYS 99 -9.430 -4.794 8.623 628 HG2 LYS 99 2HG LYS 99 -11.331 -2.871 7.970 629 HG3 LYS 99 1HG LYS 99 -12.260 -4.249 8.559 630 HD2 LYS 99 2HD LYS 99 -11.826 -3.394 10.592 631 HD3 LYS 99 1HD LYS 99 -10.242 -4.144 10.382 632 HE2 LYS 99 2HE LYS 99 -9.413 -2.025 9.411 633 HE3 LYS 99 1HE LYS 99 -10.982 -1.292 9.738 634 HZ1 LYS 99 3HZ LYS 99 -10.456 -2.156 12.143 635 HZ2 LYS 99 1HZ LYS 99 -9.852 -0.674 11.594 636 HZ3 LYS 99 2HZ LYS 99 -8.858 -2.042 11.604 637 H GLN 100 H GLN 100 -7.354 -4.987 6.214 638 HA GLN 100 HA GLN 100 -6.086 -2.805 7.545 639 HB2 GLN 100 2HB GLN 100 -3.988 -3.795 6.699 640 HB3 GLN 100 1HB GLN 100 -5.015 -4.985 7.487 641 HG2 GLN 100 2HG GLN 100 -5.851 -5.438 5.054 642 HG3 GLN 100 1HG GLN 100 -4.321 -4.687 4.607 643 HE21 GLN 100 1HE2 GLN 100 -3.954 -6.849 3.686 644 HE22 GLN 100 2HE2 GLN 100 -3.286 -8.073 4.706 645 H ALA 101 H ALA 101 -6.425 -3.763 4.150 646 HA ALA 101 HA ALA 101 -5.037 -1.585 3.037 647 HB1 ALA 101 1HB ALA 101 -6.609 -3.810 2.111 648 HB2 ALA 101 2HB ALA 101 -5.327 -2.925 1.284 649 HB3 ALA 101 3HB ALA 101 -6.994 -2.356 1.190 650 H LEU 102 H LEU 102 -8.492 -2.114 3.659 651 HA LEU 102 HA LEU 102 -9.446 0.297 2.607 652 HB2 LEU 102 2HB LEU 102 -10.513 -1.431 4.840 653 HB3 LEU 102 1HB LEU 102 -11.392 -0.078 4.154 654 HG LEU 102 HG LEU 102 -10.458 -2.097 2.212 655 HD11 LEU 102 1HD1 LEU 102 -12.746 -2.719 4.069 656 HD12 LEU 102 2HD1 LEU 102 -11.154 -3.474 4.158 657 HD13 LEU 102 3HD1 LEU 102 -12.161 -3.703 2.728 658 HD21 LEU 102 3HD2 LEU 102 -13.027 -1.722 1.674 659 HD22 LEU 102 1HD2 LEU 102 -11.791 -0.562 1.187 660 HD23 LEU 102 2HD2 LEU 102 -12.756 -0.267 2.633 661 H LEU 103 H LEU 103 -7.924 -0.464 5.647 662 HA LEU 103 HA LEU 103 -8.666 1.920 7.015 663 HB2 LEU 103 2HB LEU 103 -7.307 -0.456 7.636 664 HB3 LEU 103 1HB LEU 103 -6.142 0.826 7.905 665 HG LEU 103 HG LEU 103 -8.903 0.828 9.116 666 HD11 LEU 103 1HD1 LEU 103 -6.351 0.029 10.492 667 HD12 LEU 103 2HD1 LEU 103 -7.488 -1.135 9.811 668 HD13 LEU 103 3HD1 LEU 103 -7.999 -0.062 11.114 669 HD21 LEU 103 3HD2 LEU 103 -7.762 3.006 8.917 670 HD22 LEU 103 1HD2 LEU 103 -6.403 2.355 9.834 671 HD23 LEU 103 2HD2 LEU 103 -7.987 2.508 10.593 672 H ILE 104 H ILE 104 -6.124 1.041 4.802 673 HA ILE 104 HA ILE 104 -4.411 3.250 5.324 674 HB ILE 104 HB ILE 104 -4.631 1.620 2.790 675 HG12 ILE 104 2HG1 ILE 104 -2.590 1.194 4.953 676 HG13 ILE 104 1HG1 ILE 104 -4.173 0.431 5.063 677 HG21 ILE 104 1HG2 ILE 104 -3.268 3.271 2.080 678 HG22 ILE 104 2HG2 ILE 104 -2.047 2.342 2.950 679 HG23 ILE 104 3HG2 ILE 104 -2.804 3.740 3.715 680 HD11 ILE 104 3HD1 ILE 104 -1.929 -0.103 3.206 681 HD12 ILE 104 1HD1 ILE 104 -3.571 -0.331 2.608 682 HD13 ILE 104 2HD1 ILE 104 -3.018 -1.223 4.025 683 H LEU 105 H LEU 105 -6.827 2.609 2.784 684 HA LEU 105 HA LEU 105 -6.538 5.165 1.568 685 HB2 LEU 105 2HB LEU 105 -8.375 4.565 0.191 686 HB3 LEU 105 1HB LEU 105 -7.422 3.115 0.437 687 HG LEU 105 HG LEU 105 -9.188 2.768 2.415 688 HD11 LEU 105 1HD1 LEU 105 -10.546 4.533 0.404 689 HD12 LEU 105 2HD1 LEU 105 -10.504 4.691 2.160 690 HD13 LEU 105 3HD1 LEU 105 -11.442 3.397 1.413 691 HD21 LEU 105 3HD2 LEU 105 -10.406 1.292 0.929 692 HD22 LEU 105 1HD2 LEU 105 -8.678 1.205 0.588 693 HD23 LEU 105 2HD2 LEU 105 -9.743 2.124 -0.478 694 H HIS 106 H HIS 106 -8.577 3.881 4.108 695 HA HIS 106 HA HIS 106 -10.424 6.039 4.176 696 HB2 HIS 106 2HB HIS 106 -9.769 3.721 5.910 697 HB3 HIS 106 1HB HIS 106 -10.585 5.077 6.683 698 HD1 HIS 106 1HD HIS 106 -12.440 5.823 4.267 699 HD2 HIS 106 2HD HIS 106 -11.905 1.999 5.802 700 HE1 HIS 106 1HE HIS 106 -14.498 4.540 3.613 701 HE2 HIS 106 2HE HIS 106 -14.118 2.208 4.491 702 H ASN 107 H ASN 107 -7.511 5.281 6.059 703 HA ASN 107 HA ASN 107 -7.646 7.611 7.679 704 HB2 ASN 107 2HB ASN 107 -6.273 5.333 7.909 705 HB3 ASN 107 1HB ASN 107 -5.022 6.303 7.146 706 HD21 ASN 107 1HD2 ASN 107 -7.529 6.957 9.574 707 HD22 ASN 107 2HD2 ASN 107 -6.456 7.600 10.757 708 H ASP 108 H ASP 108 -6.251 6.890 4.562 709 HA ASP 108 HA ASP 108 -4.552 9.144 4.386 710 HB2 ASP 108 2HB ASP 108 -5.538 7.058 2.557 711 HB3 ASP 108 1HB ASP 108 -5.103 8.575 1.785 712 H LEU 109 H LEU 109 -7.934 8.612 3.709 713 HA LEU 109 HA LEU 109 -8.189 11.308 2.589 714 HB2 LEU 109 2HB LEU 109 -10.422 10.630 1.910 715 HB3 LEU 109 1HB LEU 109 -9.222 9.508 1.318 716 HG LEU 109 HG LEU 109 -9.890 8.228 3.568 717 HD11 LEU 109 1HD1 LEU 109 -11.938 8.641 4.402 718 HD12 LEU 109 2HD1 LEU 109 -12.605 9.110 2.835 719 HD13 LEU 109 3HD1 LEU 109 -11.635 10.257 3.763 720 HD21 LEU 109 3HD2 LEU 109 -10.116 7.718 0.963 721 HD22 LEU 109 1HD2 LEU 109 -11.829 7.884 1.360 722 HD23 LEU 109 2HD2 LEU 109 -10.840 6.688 2.199 723 H HIS 110 H HIS 110 -8.856 9.457 5.425 724 HA HIS 110 HA HIS 110 -10.922 11.074 6.494 725 HB2 HIS 110 2HB HIS 110 -9.108 8.963 7.561 726 HB3 HIS 110 1HB HIS 110 -9.978 9.981 8.709 727 HD1 HIS 110 1HD HIS 110 -12.631 10.166 6.997 728 HD2 HIS 110 2HD HIS 110 -10.589 6.681 7.970 729 HE1 HIS 110 1HE HIS 110 -14.335 8.323 6.854 730 HE2 HIS 110 2HE HIS 110 -13.052 6.210 7.366 731 H GLU 111 H GLU 111 -7.705 11.778 5.964 732 HA GLU 111 HA GLU 111 -7.157 13.282 8.336 733 HB2 GLU 111 2HB GLU 111 -5.183 14.074 7.130 734 HB3 GLU 111 1HB GLU 111 -5.353 12.329 6.993 735 HG2 GLU 111 2HG GLU 111 -5.273 12.485 4.795 736 HG3 GLU 111 1HG GLU 111 -6.712 13.504 4.804 737 H TYR 112 H TYR 112 -9.367 13.883 5.995 738 HA TYR 112 HA TYR 112 -9.639 16.613 6.726 739 HB2 TYR 112 2HB TYR 112 -7.870 16.189 4.622 740 HB3 TYR 112 1HB TYR 112 -9.392 16.592 3.815 741 HD1 TYR 112 2HD TYR 112 -10.524 18.760 4.353 742 HD2 TYR 112 1HD TYR 112 -6.595 17.849 5.720 743 HE1 TYR 112 2HE TYR 112 -10.119 21.151 4.790 744 HE2 TYR 112 1HE TYR 112 -6.191 20.240 6.160 745 HH TYR 112 HH TYR 112 -8.436 22.457 6.498 746 H VAL 113 H VAL 113 -10.338 14.753 3.773 747 HA VAL 113 HA VAL 113 -12.337 14.556 2.635 748 HB VAL 113 HB VAL 113 -12.047 12.570 4.103 749 HG11 VAL 113 1HG1 VAL 113 -14.054 12.698 5.945 750 HG12 VAL 113 2HG1 VAL 113 -13.380 14.325 6.027 751 HG13 VAL 113 3HG1 VAL 113 -12.334 12.926 6.287 752 HG21 VAL 113 3HG2 VAL 113 -14.469 13.492 2.827 753 HG22 VAL 113 1HG2 VAL 113 -14.825 12.362 4.135 754 HG23 VAL 113 2HG2 VAL 113 -13.732 11.885 2.833 755 H GLU 114 H GLU 114 -14.846 14.368 4.565 756 HA GLU 114 HA GLU 114 -15.425 17.242 4.417 757 HB2 GLU 114 2HB GLU 114 -16.733 15.578 2.938 758 HB3 GLU 114 1HB GLU 114 -17.517 15.080 4.429 759 HG2 GLU 114 2HG GLU 114 -18.261 17.397 4.782 760 HG3 GLU 114 1HG GLU 114 -17.529 17.846 3.245 Start of MODEL 20 1 H THR 26 H THR 26 -12.094 -14.622 -4.551 2 HA THR 26 HA THR 26 -12.958 -12.716 -6.495 3 HB THR 26 HB THR 26 -11.643 -11.104 -5.211 4 HG1 THR 26 1HG THR 26 -10.674 -13.387 -3.839 5 HG21 THR 26 3HG2 THR 26 -13.836 -12.260 -4.272 6 HG22 THR 26 1HG2 THR 26 -12.929 -11.058 -3.355 7 HG23 THR 26 2HG2 THR 26 -12.707 -12.775 -3.019 8 H SER 27 H SER 27 -9.702 -13.821 -5.545 9 HA SER 27 HA SER 27 -7.838 -14.238 -6.794 10 HB2 SER 27 2HB SER 27 -7.996 -14.744 -9.031 11 HB3 SER 27 1HB SER 27 -9.699 -14.860 -8.590 12 H LYS 28 H LYS 28 -9.567 -11.489 -8.291 13 HA LYS 28 HA LYS 28 -7.114 -9.904 -7.917 14 HB2 LYS 28 2HB LYS 28 -8.548 -10.402 -10.261 15 HB3 LYS 28 1HB LYS 28 -8.996 -8.763 -9.809 16 HG2 LYS 28 2HG LYS 28 -7.150 -8.176 -10.919 17 HG3 LYS 28 1HG LYS 28 -6.300 -8.697 -9.463 18 HD2 LYS 28 2HD LYS 28 -6.660 -11.049 -10.852 19 HD3 LYS 28 1HD LYS 28 -6.342 -9.875 -12.130 20 HE2 LYS 28 2HE LYS 28 -4.460 -9.210 -10.264 21 HE3 LYS 28 1HE LYS 28 -4.558 -10.962 -10.077 22 HZ1 LYS 28 3HZ LYS 28 -3.097 -10.935 -11.765 23 HZ2 LYS 28 1HZ LYS 28 -3.543 -9.390 -12.291 24 HZ3 LYS 28 2HZ LYS 28 -4.469 -10.733 -12.732 25 H GLN 29 H GLN 29 -7.210 -8.228 -6.586 26 HA GLN 29 HA GLN 29 -9.808 -6.972 -6.047 27 HB2 GLN 29 2HB GLN 29 -7.784 -7.607 -3.893 28 HB3 GLN 29 1HB GLN 29 -9.387 -6.904 -3.674 29 HG2 GLN 29 2HG GLN 29 -9.977 -9.233 -4.952 30 HG3 GLN 29 1HG GLN 29 -8.576 -9.697 -3.989 31 HE21 GLN 29 1HE2 GLN 29 -8.666 -9.243 -1.685 32 HE22 GLN 29 2HE2 GLN 29 -10.192 -9.294 -0.876 33 H GLU 30 H GLU 30 -9.766 -4.793 -5.661 34 HA GLU 30 HA GLU 30 -7.148 -3.472 -5.709 35 HB2 GLU 30 2HB GLU 30 -7.789 -1.981 -7.436 36 HB3 GLU 30 1HB GLU 30 -8.189 -3.596 -7.999 37 HG2 GLU 30 2HG GLU 30 -10.220 -2.864 -8.454 38 HG3 GLU 30 1HG GLU 30 -10.490 -2.702 -6.719 39 H LEU 31 H LEU 31 -6.970 -1.698 -4.444 40 HA LEU 31 HA LEU 31 -9.350 -0.947 -2.892 41 HB2 LEU 31 2HB LEU 31 -6.408 -0.657 -2.291 42 HB3 LEU 31 1HB LEU 31 -7.675 0.025 -1.291 43 HG LEU 31 HG LEU 31 -7.929 -2.864 -1.827 44 HD11 LEU 31 1HD1 LEU 31 -5.599 -1.707 -0.330 45 HD12 LEU 31 2HD1 LEU 31 -5.605 -2.964 -1.568 46 HD13 LEU 31 3HD1 LEU 31 -6.246 -3.305 0.039 47 HD21 LEU 31 3HD2 LEU 31 -7.968 -1.352 0.773 48 HD22 LEU 31 1HD2 LEU 31 -8.694 -2.918 0.411 49 HD23 LEU 31 2HD2 LEU 31 -9.363 -1.450 -0.302 50 H ILE 32 H ILE 32 -10.136 1.077 -2.939 51 HA ILE 32 HA ILE 32 -8.981 2.924 -4.865 52 HB ILE 32 HB ILE 32 -11.491 3.305 -3.236 53 HG12 ILE 32 2HG1 ILE 32 -11.364 2.258 -6.060 54 HG13 ILE 32 1HG1 ILE 32 -11.398 1.179 -4.666 55 HG21 ILE 32 1HG2 ILE 32 -10.729 5.350 -4.189 56 HG22 ILE 32 2HG2 ILE 32 -12.089 4.782 -5.157 57 HG23 ILE 32 3HG2 ILE 32 -10.440 4.582 -5.751 58 HD11 ILE 32 3HD1 ILE 32 -13.586 1.487 -4.353 59 HD12 ILE 32 1HD1 ILE 32 -13.582 2.106 -6.003 60 HD13 ILE 32 2HD1 ILE 32 -13.485 3.218 -4.637 61 H LEU 33 H LEU 33 -7.368 4.160 -4.141 62 HA LEU 33 HA LEU 33 -7.709 5.484 -1.530 63 HB2 LEU 33 2HB LEU 33 -5.144 4.615 -2.860 64 HB3 LEU 33 1HB LEU 33 -5.240 5.566 -1.384 65 HG LEU 33 HG LEU 33 -6.699 3.497 -0.584 66 HD11 LEU 33 1HD1 LEU 33 -5.243 1.493 -1.577 67 HD12 LEU 33 2HD1 LEU 33 -5.271 2.549 -2.989 68 HD13 LEU 33 3HD1 LEU 33 -6.784 1.997 -2.271 69 HD21 LEU 33 3HD2 LEU 33 -4.793 2.690 0.554 70 HD22 LEU 33 1HD2 LEU 33 -4.531 4.419 0.331 71 HD23 LEU 33 2HD2 LEU 33 -3.704 3.260 -0.711 72 H VAL 34 H VAL 34 -7.404 7.655 -1.434 73 HA VAL 34 HA VAL 34 -7.010 9.022 -4.002 74 HB VAL 34 HB VAL 34 -8.051 10.394 -1.546 75 HG11 VAL 34 1HG1 VAL 34 -8.831 11.984 -2.999 76 HG12 VAL 34 2HG1 VAL 34 -9.007 10.839 -4.328 77 HG13 VAL 34 3HG1 VAL 34 -7.406 11.424 -3.875 78 HG21 VAL 34 3HG2 VAL 34 -10.341 9.801 -2.206 79 HG22 VAL 34 1HG2 VAL 34 -9.401 8.375 -1.741 80 HG23 VAL 34 2HG2 VAL 34 -9.696 8.721 -3.444 81 H LEU 35 H LEU 35 -6.603 11.520 -2.119 82 HA LEU 35 HA LEU 35 -3.837 11.015 -1.387 83 HB2 LEU 35 2HB LEU 35 -4.332 12.094 -3.785 84 HB3 LEU 35 1HB LEU 35 -4.467 13.555 -2.814 85 HG LEU 35 HG LEU 35 -2.243 13.543 -3.544 86 HD11 LEU 35 1HD1 LEU 35 -1.035 13.570 -1.567 87 HD12 LEU 35 2HD1 LEU 35 -1.899 12.176 -0.913 88 HD13 LEU 35 3HD1 LEU 35 -2.700 13.744 -1.008 89 HD21 LEU 35 3HD2 LEU 35 -2.136 11.290 -4.413 90 HD22 LEU 35 1HD2 LEU 35 -2.143 10.627 -2.779 91 HD23 LEU 35 2HD2 LEU 35 -0.766 11.574 -3.339 92 H LYS 36 H LYS 36 -3.286 11.953 0.481 93 HA LYS 36 HA LYS 36 -5.257 13.362 1.992 94 HB2 LYS 36 2HB LYS 36 -3.447 11.751 2.861 95 HB3 LYS 36 1HB LYS 36 -2.355 13.125 2.745 96 HG2 LYS 36 2HG LYS 36 -4.922 13.247 4.292 97 HG3 LYS 36 1HG LYS 36 -3.417 12.677 5.000 98 HD2 LYS 36 2HD LYS 36 -2.763 15.068 3.711 99 HD3 LYS 36 1HD LYS 36 -4.298 15.374 4.521 100 HE2 LYS 36 2HE LYS 36 -2.380 15.912 5.956 101 HE3 LYS 36 1HE LYS 36 -3.351 14.597 6.627 102 HZ1 LYS 36 3HZ LYS 36 -1.055 13.919 4.936 103 HZ2 LYS 36 1HZ LYS 36 -1.731 13.061 6.227 104 HZ3 LYS 36 2HZ LYS 36 -0.767 14.419 6.521 105 H GLY 37 H GLY 37 -1.906 14.295 1.191 106 HA2 GLY 37 2HA GLY 37 -2.243 16.632 -0.106 107 HA3 GLY 37 1HA GLY 37 -2.553 17.084 1.558 108 H GLU 38 H GLU 38 -0.814 18.258 2.103 109 HA GLU 38 HA GLU 38 1.325 18.757 2.689 110 HB2 GLU 38 2HB GLU 38 1.021 16.101 3.333 111 HB3 GLU 38 1HB GLU 38 2.444 16.070 2.300 112 HG2 GLU 38 2HG GLU 38 3.670 17.403 3.755 113 HG3 GLU 38 1HG GLU 38 2.224 18.030 4.558 114 H LEU 39 H LEU 39 2.904 19.688 1.534 115 HA LEU 39 HA LEU 39 3.281 18.773 -1.227 116 HB2 LEU 39 2HB LEU 39 2.829 21.287 -0.175 117 HB3 LEU 39 1HB LEU 39 4.560 21.288 -0.464 118 HG LEU 39 HG LEU 39 3.355 22.218 -2.363 119 HD11 LEU 39 1HD1 LEU 39 4.942 19.740 -2.587 120 HD12 LEU 39 2HD1 LEU 39 5.241 21.343 -3.256 121 HD13 LEU 39 3HD1 LEU 39 4.085 20.261 -4.045 122 HD21 LEU 39 3HD2 LEU 39 2.171 19.629 -3.145 123 HD22 LEU 39 1HD2 LEU 39 1.569 21.274 -3.369 124 HD23 LEU 39 2HD2 LEU 39 1.392 20.466 -1.807 125 H ASP 40 H ASP 40 4.524 17.279 0.802 126 HA ASP 40 HA ASP 40 7.354 17.989 0.431 127 HB2 ASP 40 2HB ASP 40 5.842 17.038 2.757 128 HB3 ASP 40 1HB ASP 40 7.333 16.133 2.474 129 H LEU 41 H LEU 41 8.825 16.346 -0.104 130 HA LEU 41 HA LEU 41 9.545 14.494 -1.209 131 HB2 LEU 41 2HB LEU 41 7.433 13.526 0.588 132 HB3 LEU 41 1HB LEU 41 7.764 12.474 -0.773 133 HG LEU 41 HG LEU 41 9.046 11.825 1.198 134 HD11 LEU 41 1HD1 LEU 41 11.066 12.971 -0.676 135 HD12 LEU 41 2HD1 LEU 41 9.935 11.750 -1.253 136 HD13 LEU 41 3HD1 LEU 41 11.011 11.383 0.083 137 HD21 LEU 41 3HD2 LEU 41 11.003 13.430 1.760 138 HD22 LEU 41 1HD2 LEU 41 9.404 13.736 2.451 139 HD23 LEU 41 2HD2 LEU 41 9.964 14.664 1.063 140 H HIS 42 H HIS 42 9.120 13.090 -3.041 141 HA HIS 42 HA HIS 42 7.483 14.354 -4.980 142 HB2 HIS 42 2HB HIS 42 9.652 12.761 -5.142 143 HB3 HIS 42 1HB HIS 42 8.388 11.578 -5.482 144 HD1 HIS 42 1HD HIS 42 7.159 11.771 -7.725 145 HD2 HIS 42 2HD HIS 42 9.973 14.762 -7.100 146 HE1 HIS 42 1HE HIS 42 7.431 12.909 -9.947 147 HE2 HIS 42 2HE HIS 42 9.072 14.769 -9.526 148 H SER 43 H SER 43 7.259 11.158 -3.430 149 HA SER 43 HA SER 43 4.360 11.287 -3.657 150 HB2 SER 43 2HB SER 43 6.110 9.372 -5.107 151 HB3 SER 43 1HB SER 43 4.659 8.705 -4.359 152 HG SER 43 HG SER 43 4.656 10.964 -6.070 153 H LYS 44 H LYS 44 3.819 11.145 -1.568 154 HA LYS 44 HA LYS 44 5.318 9.456 0.242 155 HB2 LYS 44 2HB LYS 44 4.388 11.790 0.772 156 HB3 LYS 44 1HB LYS 44 2.822 10.992 0.933 157 HG2 LYS 44 2HG LYS 44 3.495 10.912 3.090 158 HG3 LYS 44 1HG LYS 44 4.229 9.414 2.532 159 HD2 LYS 44 2HD LYS 44 6.078 10.300 3.491 160 HD3 LYS 44 1HD LYS 44 6.210 11.140 1.945 161 HE2 LYS 44 2HE LYS 44 6.481 12.650 3.872 162 HE3 LYS 44 1HE LYS 44 5.111 13.078 2.860 163 HZ1 LYS 44 3HZ LYS 44 3.642 12.595 4.479 164 HZ2 LYS 44 1HZ LYS 44 4.966 12.882 5.494 165 HZ3 LYS 44 2HZ LYS 44 4.551 11.299 5.080 166 H ASN 45 H ASN 45 2.310 9.409 -1.495 167 HA ASN 45 HA ASN 45 0.855 7.564 -0.022 168 HB2 ASN 45 2HB ASN 45 0.930 8.169 -2.972 169 HB3 ASN 45 1HB ASN 45 -0.174 6.975 -2.289 170 HD21 ASN 45 1HD2 ASN 45 -2.081 7.679 -1.653 171 HD22 ASN 45 2HD2 ASN 45 -2.497 9.319 -1.315 172 H MET 46 H MET 46 3.125 6.984 -2.697 173 HA MET 46 HA MET 46 2.932 4.244 -2.891 174 HB2 MET 46 2HB MET 46 5.357 4.332 -3.628 175 HB3 MET 46 1HB MET 46 4.234 5.372 -4.507 176 HG2 MET 46 2HG MET 46 5.718 6.987 -4.151 177 HG3 MET 46 1HG MET 46 5.103 7.012 -2.499 178 HE1 MET 46 3HE MET 46 7.610 7.973 -3.833 179 HE2 MET 46 1HE MET 46 9.068 6.995 -3.723 180 HE3 MET 46 2HE MET 46 8.520 7.921 -2.325 181 H LYS 47 H LYS 47 5.012 6.130 -0.725 182 HA LYS 47 HA LYS 47 6.294 3.951 0.502 183 HB2 LYS 47 2HB LYS 47 6.892 6.441 0.626 184 HB3 LYS 47 1HB LYS 47 5.674 6.553 1.890 185 HG2 LYS 47 2HG LYS 47 6.938 4.737 3.099 186 HG3 LYS 47 1HG LYS 47 8.223 4.963 1.916 187 HD2 LYS 47 2HD LYS 47 7.729 7.526 2.701 188 HD3 LYS 47 1HD LYS 47 7.434 6.629 4.191 189 HE2 LYS 47 2HE LYS 47 9.677 6.967 4.397 190 HE3 LYS 47 1HE LYS 47 9.698 5.450 3.509 191 HZ1 LYS 47 3HZ LYS 47 11.231 7.092 2.579 192 HZ2 LYS 47 1HZ LYS 47 9.939 8.141 2.277 193 HZ3 LYS 47 2HZ LYS 47 10.027 6.660 1.469 194 H ASN 48 H ASN 48 3.167 5.385 0.953 195 HA ASN 48 HA ASN 48 2.594 4.384 3.527 196 HB2 ASN 48 2HB ASN 48 1.322 6.093 1.903 197 HB3 ASN 48 1HB ASN 48 0.384 4.644 1.554 198 HD21 ASN 48 1HD2 ASN 48 1.161 7.059 3.881 199 HD22 ASN 48 2HD2 ASN 48 -0.017 6.608 5.061 200 H VAL 49 H VAL 49 2.137 3.047 0.287 201 HA VAL 49 HA VAL 49 0.741 0.723 1.160 202 HB VAL 49 HB VAL 49 2.307 1.042 -1.402 203 HG11 VAL 49 1HG1 VAL 49 0.925 -1.143 -0.307 204 HG12 VAL 49 2HG1 VAL 49 1.553 -0.978 -1.946 205 HG13 VAL 49 3HG1 VAL 49 -0.106 -0.505 -1.585 206 HG21 VAL 49 3HG2 VAL 49 -0.438 1.979 -0.635 207 HG22 VAL 49 1HG2 VAL 49 -0.032 1.607 -2.311 208 HG23 VAL 49 2HG2 VAL 49 0.852 2.865 -1.447 209 H ILE 50 H ILE 50 4.113 1.514 0.630 210 HA ILE 50 HA ILE 50 5.166 -1.086 0.677 211 HB ILE 50 HB ILE 50 6.490 1.434 1.681 212 HG12 ILE 50 2HG1 ILE 50 6.791 0.209 -1.057 213 HG13 ILE 50 1HG1 ILE 50 5.559 1.424 -0.712 214 HG21 ILE 50 1HG2 ILE 50 7.612 -0.635 2.379 215 HG22 ILE 50 2HG2 ILE 50 8.589 0.289 1.232 216 HG23 ILE 50 3HG2 ILE 50 7.704 -1.143 0.693 217 HD11 ILE 50 3HD1 ILE 50 7.059 3.003 -1.085 218 HD12 ILE 50 1HD1 ILE 50 8.302 1.783 -1.355 219 HD13 ILE 50 2HD1 ILE 50 8.020 2.407 0.269 220 H ASN 51 H ASN 51 4.423 1.182 3.279 221 HA ASN 51 HA ASN 51 5.501 -0.466 5.350 222 HB2 ASN 51 2HB ASN 51 3.502 1.796 5.567 223 HB3 ASN 51 1HB ASN 51 4.451 1.114 6.885 224 HD21 ASN 51 1HD2 ASN 51 4.249 3.800 5.383 225 HD22 ASN 51 2HD2 ASN 51 5.898 4.228 5.136 226 H ASN 52 H ASN 52 2.225 0.170 4.140 227 HA ASN 52 HA ASN 52 0.948 -1.563 6.008 228 HB2 ASN 52 2HB ASN 52 -0.063 -0.531 3.349 229 HB3 ASN 52 1HB ASN 52 -1.048 -1.257 4.616 230 HD21 ASN 52 1HD2 ASN 52 -0.203 -0.112 6.869 231 HD22 ASN 52 2HD2 ASN 52 -0.440 1.599 6.825 232 H ALA 53 H ALA 53 1.537 -1.880 2.503 233 HA ALA 53 HA ALA 53 0.629 -4.468 2.165 234 HB1 ALA 53 1HB ALA 53 1.243 -2.997 0.311 235 HB2 ALA 53 2HB ALA 53 2.041 -4.565 0.179 236 HB3 ALA 53 3HB ALA 53 2.945 -3.160 0.742 237 H LYS 54 H LYS 54 3.610 -3.351 3.589 238 HA LYS 54 HA LYS 54 4.894 -5.928 3.511 239 HB2 LYS 54 2HB LYS 54 5.546 -3.265 4.714 240 HB3 LYS 54 1HB LYS 54 6.424 -4.691 5.248 241 HG2 LYS 54 2HG LYS 54 6.197 -4.223 2.329 242 HG3 LYS 54 1HG LYS 54 7.273 -3.178 3.258 243 HD2 LYS 54 2HD LYS 54 7.348 -6.195 3.244 244 HD3 LYS 54 1HD LYS 54 8.439 -5.142 2.335 245 HE2 LYS 54 2HE LYS 54 8.849 -4.087 4.716 246 HE3 LYS 54 1HE LYS 54 8.300 -5.673 5.263 247 HZ1 LYS 54 3HZ LYS 54 10.826 -5.145 4.693 248 HZ2 LYS 54 1HZ LYS 54 10.310 -5.637 3.157 249 HZ3 LYS 54 2HZ LYS 54 10.148 -6.680 4.475 250 H LYS 55 H LYS 55 3.154 -3.992 5.897 251 HA LYS 55 HA LYS 55 3.611 -5.618 8.134 252 HB2 LYS 55 2HB LYS 55 2.069 -3.320 7.516 253 HB3 LYS 55 1HB LYS 55 0.978 -4.484 8.255 254 HG2 LYS 55 2HG LYS 55 1.764 -3.287 10.065 255 HG3 LYS 55 1HG LYS 55 2.804 -4.711 10.060 256 HD2 LYS 55 2HD LYS 55 4.629 -3.526 9.222 257 HD3 LYS 55 1HD LYS 55 3.617 -2.210 8.621 258 HE2 LYS 55 2HE LYS 55 4.879 -1.536 10.605 259 HE3 LYS 55 1HE LYS 55 3.142 -1.512 10.904 260 HZ1 LYS 55 3HZ LYS 55 5.048 -3.622 11.757 261 HZ2 LYS 55 1HZ LYS 55 3.371 -3.704 11.962 262 HZ3 LYS 55 2HZ LYS 55 4.263 -2.513 12.753 263 H ASN 56 H ASN 56 1.099 -5.720 5.649 264 HA ASN 56 HA ASN 56 -0.386 -7.834 6.835 265 HB2 ASN 56 2HB ASN 56 -0.319 -7.101 3.903 266 HB3 ASN 56 1HB ASN 56 -1.623 -7.906 4.781 267 HD21 ASN 56 1HD2 ASN 56 -1.403 -5.340 3.218 268 HD22 ASN 56 2HD2 ASN 56 -2.075 -4.144 4.267 269 H LEU 57 H LEU 57 1.990 -7.727 4.194 270 HA LEU 57 HA LEU 57 2.003 -10.390 3.471 271 HB2 LEU 57 2HB LEU 57 3.640 -8.110 3.038 272 HB3 LEU 57 1HB LEU 57 4.700 -9.449 3.450 273 HG LEU 57 HG LEU 57 4.539 -9.446 1.098 274 HD11 LEU 57 1HD1 LEU 57 4.197 -11.634 0.922 275 HD12 LEU 57 2HD1 LEU 57 2.487 -11.477 1.323 276 HD13 LEU 57 3HD1 LEU 57 3.687 -11.590 2.610 277 HD21 LEU 57 3HD2 LEU 57 1.612 -9.710 0.917 278 HD22 LEU 57 1HD2 LEU 57 2.742 -8.845 -0.123 279 HD23 LEU 57 2HD2 LEU 57 2.207 -8.119 1.392 280 H GLU 58 H GLU 58 4.205 -8.842 5.811 281 HA GLU 58 HA GLU 58 5.386 -11.226 6.701 282 HB2 GLU 58 2HB GLU 58 6.243 -9.925 8.565 283 HB3 GLU 58 1HB GLU 58 6.362 -8.992 7.080 284 HG2 GLU 58 2HG GLU 58 5.086 -7.369 7.891 285 HG3 GLU 58 1HG GLU 58 3.860 -8.508 8.445 286 H LYS 59 H LYS 59 2.396 -9.658 7.553 287 HA LYS 59 HA LYS 59 1.899 -10.815 10.042 288 HB2 LYS 59 2HB LYS 59 0.529 -9.027 8.881 289 HB3 LYS 59 1HB LYS 59 -0.200 -10.313 7.930 290 HG2 LYS 59 2HG LYS 59 -1.710 -10.552 9.527 291 HG3 LYS 59 1HG LYS 59 -0.428 -11.142 10.586 292 HD2 LYS 59 2HD LYS 59 -0.953 -8.206 10.237 293 HD3 LYS 59 1HD LYS 59 -1.856 -9.173 11.405 294 HE2 LYS 59 2HE LYS 59 1.063 -9.515 11.485 295 HE3 LYS 59 1HE LYS 59 0.485 -7.911 11.935 296 HZ1 LYS 59 3HZ LYS 59 0.512 -9.110 13.915 297 HZ2 LYS 59 1HZ LYS 59 -0.129 -10.507 13.207 298 HZ3 LYS 59 2HZ LYS 59 -1.113 -9.154 13.451 299 H TYR 60 H TYR 60 1.469 -12.076 6.786 300 HA TYR 60 HA TYR 60 0.167 -14.485 7.651 301 HB2 TYR 60 2HB TYR 60 1.548 -14.052 5.002 302 HB3 TYR 60 1HB TYR 60 0.224 -15.161 5.369 303 HD1 TYR 60 1HD TYR 60 -2.012 -14.065 6.110 304 HD2 TYR 60 2HD TYR 60 1.090 -11.975 4.087 305 HE1 TYR 60 1HE TYR 60 -3.636 -12.364 5.395 306 HE2 TYR 60 2HE TYR 60 -0.525 -10.265 3.365 307 HH TYR 60 HH TYR 60 -2.833 -9.404 4.292 308 H PHE 61 H PHE 61 3.429 -13.565 6.650 309 HA PHE 61 HA PHE 61 4.560 -16.148 6.765 310 HB2 PHE 61 2HB PHE 61 5.537 -14.023 5.697 311 HB3 PHE 61 1HB PHE 61 6.093 -13.611 7.323 312 HD1 PHE 61 1HD PHE 61 7.474 -15.449 8.541 313 HD2 PHE 61 2HD PHE 61 6.900 -15.285 4.328 314 HE1 PHE 61 1HE PHE 61 9.479 -16.836 8.219 315 HE2 PHE 61 2HE PHE 61 8.903 -16.674 3.997 316 HZ PHE 61 HZ PHE 61 10.195 -17.452 5.944 317 H LYS 62 H LYS 62 3.850 -13.780 9.209 318 HA LYS 62 HA LYS 62 5.482 -15.101 11.210 319 HB2 LYS 62 2HB LYS 62 3.774 -12.642 11.156 320 HB3 LYS 62 1HB LYS 62 4.240 -13.345 12.699 321 HG2 LYS 62 2HG LYS 62 6.460 -13.008 10.824 322 HG3 LYS 62 1HG LYS 62 5.680 -11.501 11.308 323 HD2 LYS 62 2HD LYS 62 5.885 -12.401 13.706 324 HD3 LYS 62 1HD LYS 62 7.034 -13.556 13.027 325 HE2 LYS 62 2HE LYS 62 8.569 -11.972 13.400 326 HE3 LYS 62 1HE LYS 62 7.898 -11.184 11.972 327 HZ1 LYS 62 3HZ LYS 62 6.273 -10.148 13.664 328 HZ2 LYS 62 1HZ LYS 62 7.842 -9.523 13.547 329 HZ3 LYS 62 2HZ LYS 62 7.439 -10.568 14.814 330 H GLU 63 H GLU 63 2.192 -15.140 10.125 331 HA GLU 63 HA GLU 63 1.307 -16.478 12.568 332 HB2 GLU 63 2HB GLU 63 0.063 -14.625 11.024 333 HB3 GLU 63 1HB GLU 63 -0.620 -16.112 10.367 334 HG2 GLU 63 2HG GLU 63 -2.127 -15.802 12.002 335 HG3 GLU 63 1HG GLU 63 -0.904 -16.606 12.985 336 H HIS 64 H HIS 64 1.574 -17.091 9.079 337 HA HIS 64 HA HIS 64 0.904 -19.899 9.620 338 HB2 HIS 64 2HB HIS 64 0.759 -18.313 7.058 339 HB3 HIS 64 1HB HIS 64 0.492 -20.051 7.149 340 HD1 HIS 64 1HD HIS 64 -1.549 -17.510 6.508 341 HD2 HIS 64 2HD HIS 64 -1.494 -20.089 9.767 342 HE1 HIS 64 1HE HIS 64 -3.879 -17.450 7.453 343 HE2 HIS 64 2HE HIS 64 -3.836 -19.057 9.394 344 H PHE 65 H PHE 65 3.573 -18.230 9.579 345 HA PHE 65 HA PHE 65 5.746 -18.505 8.867 346 HB2 PHE 65 2HB PHE 65 4.798 -20.715 10.343 347 HB3 PHE 65 1HB PHE 65 5.822 -21.372 9.064 348 HD1 PHE 65 1HD PHE 65 8.186 -20.725 8.920 349 HD2 PHE 65 2HD PHE 65 5.711 -19.451 12.138 350 HE1 PHE 65 1HE PHE 65 10.190 -20.135 10.221 351 HE2 PHE 65 2HE PHE 65 7.710 -18.858 13.446 352 HZ PHE 65 HZ PHE 65 9.952 -19.199 12.487 353 H LYS 66 H LYS 66 3.867 -18.539 6.669 354 HA LYS 66 HA LYS 66 5.517 -19.993 4.742 355 HB2 LYS 66 2HB LYS 66 3.119 -21.041 5.526 356 HB3 LYS 66 1HB LYS 66 2.639 -20.082 4.133 357 HG2 LYS 66 2HG LYS 66 3.912 -21.338 2.664 358 HG3 LYS 66 1HG LYS 66 4.959 -21.955 3.944 359 HD2 LYS 66 2HD LYS 66 3.701 -23.811 3.764 360 HD3 LYS 66 1HD LYS 66 2.543 -22.905 4.741 361 HE2 LYS 66 2HE LYS 66 1.270 -23.692 2.953 362 HE3 LYS 66 1HE LYS 66 1.642 -22.027 2.508 363 HZ1 LYS 66 3HZ LYS 66 2.539 -24.515 1.302 364 HZ2 LYS 66 1HZ LYS 66 3.696 -23.284 1.400 365 HZ3 LYS 66 2HZ LYS 66 2.238 -23.013 0.586 366 H GLU 67 H GLU 67 2.857 -17.696 5.222 367 HA GLU 67 HA GLU 67 2.434 -15.667 4.276 368 HB2 GLU 67 2HB GLU 67 4.953 -15.417 4.430 369 HB3 GLU 67 1HB GLU 67 5.025 -15.942 2.755 370 HG2 GLU 67 2HG GLU 67 3.288 -13.997 2.421 371 HG3 GLU 67 1HG GLU 67 4.022 -13.397 3.908 372 H PHE 68 H PHE 68 0.711 -15.950 3.012 373 HA PHE 68 HA PHE 68 1.149 -16.985 0.287 374 HB2 PHE 68 2HB PHE 68 -0.619 -17.915 2.271 375 HB3 PHE 68 1HB PHE 68 -1.622 -17.077 1.091 376 HD1 PHE 68 1HD PHE 68 1.211 -19.507 1.174 377 HD2 PHE 68 2HD PHE 68 -2.430 -18.300 -0.671 378 HE1 PHE 68 1HE PHE 68 1.306 -21.478 -0.296 379 HE2 PHE 68 2HE PHE 68 -2.342 -20.269 -2.143 380 HZ PHE 68 HZ PHE 68 -0.472 -21.862 -1.956 381 H ASP 69 H ASP 69 -0.761 -16.225 -1.193 382 HA ASP 69 HA ASP 69 -1.708 -14.504 -2.340 383 HB2 ASP 69 2HB ASP 69 -2.005 -13.280 0.412 384 HB3 ASP 69 1HB ASP 69 -2.855 -12.761 -1.040 385 H LYS 70 H LYS 70 -1.523 -12.072 -2.774 386 HA LYS 70 HA LYS 70 1.045 -10.951 -1.958 387 HB2 LYS 70 2HB LYS 70 0.291 -11.305 -4.864 388 HB3 LYS 70 1HB LYS 70 1.739 -10.512 -4.257 389 HG2 LYS 70 2HG LYS 70 2.597 -12.573 -3.408 390 HG3 LYS 70 1HG LYS 70 1.083 -13.407 -3.764 391 HD2 LYS 70 2HD LYS 70 1.434 -13.234 -6.103 392 HD3 LYS 70 1HD LYS 70 2.762 -12.093 -5.888 393 HE2 LYS 70 2HE LYS 70 3.664 -14.256 -6.435 394 HE3 LYS 70 1HE LYS 70 4.056 -13.875 -4.759 395 HZ1 LYS 70 3HZ LYS 70 2.337 -15.952 -5.835 396 HZ2 LYS 70 1HZ LYS 70 1.764 -15.180 -4.442 397 HZ3 LYS 70 2HZ LYS 70 3.274 -15.942 -4.426 398 H ILE 71 H ILE 71 1.277 -8.675 -2.530 399 HA ILE 71 HA ILE 71 -1.275 -7.350 -3.140 400 HB ILE 71 HB ILE 71 0.617 -6.299 -1.048 401 HG12 ILE 71 2HG1 ILE 71 -1.948 -7.809 -0.573 402 HG13 ILE 71 1HG1 ILE 71 -0.354 -8.541 -0.447 403 HG21 ILE 71 1HG2 ILE 71 -2.301 -5.690 -1.406 404 HG22 ILE 71 2HG2 ILE 71 -1.052 -4.808 -2.284 405 HG23 ILE 71 3HG2 ILE 71 -1.084 -4.770 -0.522 406 HD11 ILE 71 3HD1 ILE 71 -0.078 -6.381 1.171 407 HD12 ILE 71 1HD1 ILE 71 -0.527 -7.997 1.713 408 HD13 ILE 71 2HD1 ILE 71 -1.777 -6.789 1.411 409 H SER 72 H SER 72 -1.153 -5.405 -4.202 410 HA SER 72 HA SER 72 1.500 -4.452 -4.999 411 HB2 SER 72 2HB SER 72 0.018 -6.034 -6.667 412 HB3 SER 72 1HB SER 72 -0.475 -4.419 -7.175 413 HG SER 72 HG SER 72 2.237 -5.178 -6.872 414 H TYR 73 H TYR 73 1.331 -2.329 -6.200 415 HA TYR 73 HA TYR 73 -1.018 -0.737 -5.741 416 HB2 TYR 73 2HB TYR 73 -0.053 0.850 -4.214 417 HB3 TYR 73 1HB TYR 73 0.123 -0.754 -3.514 418 HD1 TYR 73 1HD TYR 73 2.437 -1.942 -4.145 419 HD2 TYR 73 2HD TYR 73 1.768 2.260 -4.123 420 HE1 TYR 73 1HE TYR 73 4.851 -1.564 -3.885 421 HE2 TYR 73 2HE TYR 73 4.176 2.648 -3.861 422 HH TYR 73 HH TYR 73 6.482 0.310 -4.400 423 H ASP 74 H ASP 74 -0.914 1.325 -6.776 424 HA ASP 74 HA ASP 74 1.464 2.081 -8.211 425 HB2 ASP 74 2HB ASP 74 -0.042 0.228 -9.497 426 HB3 ASP 74 1HB ASP 74 -0.807 1.709 -10.069 427 H ILE 75 H ILE 75 0.998 4.020 -9.644 428 HA ILE 75 HA ILE 75 -1.196 5.634 -8.549 429 HB ILE 75 HB ILE 75 1.559 6.701 -9.165 430 HG12 ILE 75 2HG1 ILE 75 0.613 6.730 -6.380 431 HG13 ILE 75 1HG1 ILE 75 0.947 5.122 -7.018 432 HG21 ILE 75 1HG2 ILE 75 -0.898 7.937 -7.943 433 HG22 ILE 75 2HG2 ILE 75 -0.095 8.397 -9.437 434 HG23 ILE 75 3HG2 ILE 75 0.703 8.677 -7.885 435 HD11 ILE 75 3HD1 ILE 75 2.782 7.349 -6.417 436 HD12 ILE 75 1HD1 ILE 75 3.167 6.345 -7.816 437 HD13 ILE 75 2HD1 ILE 75 3.003 5.609 -6.229 438 H SER 76 H SER 76 -1.865 7.422 -9.934 439 HA SER 76 HA SER 76 -0.936 7.610 -12.629 440 HB2 SER 76 2HB SER 76 -2.870 6.736 -13.780 441 HB3 SER 76 1HB SER 76 -2.254 5.480 -12.710 442 HG SER 76 HG SER 76 -4.685 6.356 -12.795 443 H THR 77 H THR 77 -3.001 8.732 -13.921 444 HA THR 77 HA THR 77 -4.154 10.669 -14.186 445 HB THR 77 HB THR 77 -5.775 11.203 -12.623 446 HG1 THR 77 1HG THR 77 -3.853 10.519 -10.680 447 HG21 THR 77 3HG2 THR 77 -5.013 8.467 -11.638 448 HG22 THR 77 1HG2 THR 77 -5.922 8.785 -13.120 449 HG23 THR 77 2HG2 THR 77 -6.598 9.234 -11.553 450 HA PRO 78 HA PRO 78 -1.318 13.894 -13.204 451 HB2 PRO 78 2HB PRO 78 -2.788 16.080 -13.771 452 HB3 PRO 78 1HB PRO 78 -2.197 14.985 -15.029 453 HG2 PRO 78 2HG PRO 78 -4.907 15.141 -13.766 454 HG3 PRO 78 1HG PRO 78 -4.483 14.941 -15.479 455 HD2 PRO 78 2HD PRO 78 -5.223 12.871 -13.871 456 HD3 PRO 78 1HD PRO 78 -4.110 12.678 -15.237 457 H ILE 79 H ILE 79 -4.354 13.671 -11.560 458 HA ILE 79 HA ILE 79 -3.668 15.746 -9.640 459 HB ILE 79 HB ILE 79 -6.045 13.900 -9.528 460 HG12 ILE 79 2HG1 ILE 79 -6.042 15.002 -11.699 461 HG13 ILE 79 1HG1 ILE 79 -7.307 15.682 -10.678 462 HG21 ILE 79 1HG2 ILE 79 -6.945 16.097 -8.422 463 HG22 ILE 79 2HG2 ILE 79 -5.231 16.419 -8.160 464 HG23 ILE 79 3HG2 ILE 79 -5.964 14.957 -7.491 465 HD11 ILE 79 3HD1 ILE 79 -5.318 17.058 -12.071 466 HD12 ILE 79 1HD1 ILE 79 -4.875 17.169 -10.365 467 HD13 ILE 79 2HD1 ILE 79 -6.465 17.713 -10.902 468 H ASN 80 H ASN 80 -2.375 12.910 -9.984 469 HA ASN 80 HA ASN 80 -1.353 11.405 -8.624 470 HB2 ASN 80 2HB ASN 80 -1.064 13.764 -7.353 471 HB3 ASN 80 1HB ASN 80 -1.978 12.888 -6.134 472 HD21 ASN 80 1HD2 ASN 80 -1.086 10.434 -6.116 473 HD22 ASN 80 2HD2 ASN 80 0.613 10.355 -5.831 474 H PHE 81 H PHE 81 -2.984 9.842 -9.007 475 HA PHE 81 HA PHE 81 -4.895 9.488 -6.794 476 HB2 PHE 81 2HB PHE 81 -5.121 9.133 -9.698 477 HB3 PHE 81 1HB PHE 81 -5.722 7.762 -8.777 478 HD1 PHE 81 1HD PHE 81 -6.049 11.427 -9.198 479 HD2 PHE 81 2HD PHE 81 -7.802 7.845 -7.712 480 HE1 PHE 81 1HE PHE 81 -8.149 12.632 -8.774 481 HE2 PHE 81 2HE PHE 81 -9.905 9.040 -7.284 482 HZ PHE 81 HZ PHE 81 -10.082 11.442 -7.819 483 H LEU 82 H LEU 82 -4.638 7.794 -5.488 484 HA LEU 82 HA LEU 82 -2.509 5.895 -6.092 485 HB2 LEU 82 2HB LEU 82 -2.735 7.111 -3.879 486 HB3 LEU 82 1HB LEU 82 -4.119 6.085 -3.559 487 HG LEU 82 HG LEU 82 -2.580 4.100 -3.877 488 HD11 LEU 82 1HD1 LEU 82 -0.140 5.173 -3.176 489 HD12 LEU 82 2HD1 LEU 82 -0.732 6.274 -4.413 490 HD13 LEU 82 3HD1 LEU 82 -0.588 4.552 -4.764 491 HD21 LEU 82 3HD2 LEU 82 -2.114 4.053 -1.641 492 HD22 LEU 82 1HD2 LEU 82 -3.284 5.363 -1.668 493 HD23 LEU 82 2HD2 LEU 82 -1.562 5.727 -1.607 494 H CYS 83 H CYS 83 -3.346 4.455 -7.549 495 HA CYS 83 HA CYS 83 -5.826 3.056 -6.857 496 HB2 CYS 83 2HB CYS 83 -4.156 3.076 -9.377 497 HB3 CYS 83 1HB CYS 83 -5.576 2.061 -9.154 498 HG CYS 83 HG CYS 83 -5.683 4.809 -10.148 499 H ILE 84 H ILE 84 -5.388 1.524 -5.371 500 HA ILE 84 HA ILE 84 -2.967 -0.052 -5.554 501 HB ILE 84 HB ILE 84 -5.147 0.224 -3.527 502 HG12 ILE 84 2HG1 ILE 84 -2.290 0.841 -3.813 503 HG13 ILE 84 1HG1 ILE 84 -3.516 1.621 -2.824 504 HG21 ILE 84 1HG2 ILE 84 -4.186 -1.658 -2.233 505 HG22 ILE 84 2HG2 ILE 84 -3.203 -2.084 -3.634 506 HG23 ILE 84 3HG2 ILE 84 -4.962 -2.177 -3.728 507 HD11 ILE 84 3HD1 ILE 84 -1.812 0.742 -1.404 508 HD12 ILE 84 1HD1 ILE 84 -1.943 -0.850 -2.152 509 HD13 ILE 84 2HD1 ILE 84 -3.273 -0.220 -1.179 510 H PHE 85 H PHE 85 -2.793 -2.145 -6.092 511 HA PHE 85 HA PHE 85 -5.227 -3.605 -6.859 512 HB2 PHE 85 2HB PHE 85 -2.631 -3.450 -8.411 513 HB3 PHE 85 1HB PHE 85 -3.935 -4.579 -8.767 514 HD1 PHE 85 1HD PHE 85 -6.271 -3.507 -9.189 515 HD2 PHE 85 2HD PHE 85 -2.579 -1.412 -9.467 516 HE1 PHE 85 1HE PHE 85 -7.347 -1.818 -10.617 517 HE2 PHE 85 2HE PHE 85 -3.650 0.288 -10.901 518 HZ PHE 85 HZ PHE 85 -6.037 0.084 -11.474 519 H ILE 86 H ILE 86 -5.226 -4.876 -5.036 520 HA ILE 86 HA ILE 86 -2.801 -6.338 -4.329 521 HB ILE 86 HB ILE 86 -3.911 -5.351 -2.467 522 HG12 ILE 86 2HG1 ILE 86 -4.643 -8.286 -2.434 523 HG13 ILE 86 1HG1 ILE 86 -3.010 -7.678 -2.187 524 HG21 ILE 86 1HG2 ILE 86 -6.315 -6.232 -3.854 525 HG22 ILE 86 2HG2 ILE 86 -6.079 -4.902 -2.722 526 HG23 ILE 86 3HG2 ILE 86 -6.359 -6.534 -2.118 527 HD11 ILE 86 3HD1 ILE 86 -3.587 -6.662 -0.151 528 HD12 ILE 86 1HD1 ILE 86 -4.346 -8.254 -0.120 529 HD13 ILE 86 2HD1 ILE 86 -5.315 -6.822 -0.470 530 HA PRO 87 HA PRO 87 -4.641 -9.750 -6.691 531 HB2 PRO 87 2HB PRO 87 -2.024 -10.983 -6.611 532 HB3 PRO 87 1HB PRO 87 -2.889 -10.320 -8.001 533 HG2 PRO 87 2HG PRO 87 -0.622 -9.206 -6.956 534 HG3 PRO 87 1HG PRO 87 -1.857 -8.286 -7.831 535 HD2 PRO 87 2HD PRO 87 -1.407 -8.528 -4.882 536 HD3 PRO 87 1HD PRO 87 -1.854 -7.104 -5.841 537 H THR 88 H THR 88 -5.857 -10.984 -5.375 538 HA THR 88 HA THR 88 -4.528 -12.994 -3.771 539 HB THR 88 HB THR 88 -6.215 -10.811 -2.565 540 HG1 THR 88 1HG THR 88 -4.473 -10.774 -1.105 541 HG21 THR 88 3HG2 THR 88 -7.214 -12.826 -1.704 542 HG22 THR 88 1HG2 THR 88 -6.225 -12.071 -0.453 543 HG23 THR 88 2HG2 THR 88 -5.624 -13.485 -1.318 544 H LEU 89 H LEU 89 -5.705 -14.835 -3.528 545 HA LEU 89 HA LEU 89 -8.234 -14.945 -4.989 546 HB2 LEU 89 2HB LEU 89 -6.127 -16.923 -4.273 547 HB3 LEU 89 1HB LEU 89 -7.761 -17.508 -4.521 548 HG LEU 89 HG LEU 89 -7.680 -16.323 -6.783 549 HD11 LEU 89 1HD1 LEU 89 -5.886 -14.892 -6.755 550 HD12 LEU 89 2HD1 LEU 89 -5.188 -16.289 -7.574 551 HD13 LEU 89 3HD1 LEU 89 -4.861 -16.018 -5.862 552 HD21 LEU 89 3HD2 LEU 89 -5.669 -18.535 -6.539 553 HD22 LEU 89 1HD2 LEU 89 -6.831 -18.227 -7.831 554 HD23 LEU 89 2HD2 LEU 89 -7.388 -18.817 -6.264 555 H PHE 90 H PHE 90 -7.094 -14.848 -1.805 556 HA PHE 90 HA PHE 90 -8.099 -15.041 0.217 557 HB2 PHE 90 2HB PHE 90 -9.887 -13.702 -0.567 558 HB3 PHE 90 1HB PHE 90 -10.548 -15.005 -1.545 559 HD1 PHE 90 1HD PHE 90 -11.611 -16.962 -0.388 560 HD2 PHE 90 2HD PHE 90 -10.538 -13.392 1.664 561 HE1 PHE 90 1HE PHE 90 -13.122 -17.572 1.456 562 HE2 PHE 90 2HE PHE 90 -12.046 -13.996 3.512 563 HZ PHE 90 HZ PHE 90 -13.340 -16.088 3.410 564 H ASP 91 H ASP 91 -8.109 -16.704 1.541 565 HA ASP 91 HA ASP 91 -9.647 -19.012 1.362 566 HB2 ASP 91 2HB ASP 91 -7.802 -19.184 -0.601 567 HB3 ASP 91 1HB ASP 91 -6.882 -19.886 0.730 568 H MET 92 H MET 92 -6.289 -18.129 2.164 569 HA MET 92 HA MET 92 -6.296 -19.638 4.592 570 HB2 MET 92 2HB MET 92 -4.399 -17.993 3.081 571 HB3 MET 92 1HB MET 92 -4.208 -17.856 4.830 572 HG2 MET 92 2HG MET 92 -2.775 -19.587 3.891 573 HG3 MET 92 1HG MET 92 -3.955 -20.256 5.015 574 HE1 MET 92 3HE MET 92 -2.219 -20.779 1.796 575 HE2 MET 92 1HE MET 92 -3.308 -19.534 1.184 576 HE3 MET 92 2HE MET 92 -3.449 -21.192 0.600 577 H ASN 93 H ASN 93 -7.259 -19.077 6.411 578 HA ASN 93 HA ASN 93 -7.861 -17.840 8.235 579 HB2 ASN 93 2HB ASN 93 -5.816 -16.348 7.295 580 HB3 ASN 93 1HB ASN 93 -7.143 -15.204 7.109 581 HD21 ASN 93 1HD2 ASN 93 -8.704 -15.905 9.278 582 HD22 ASN 93 2HD2 ASN 93 -7.859 -15.514 10.734 583 H ASN 94 H ASN 94 -8.909 -17.264 5.054 584 HA ASN 94 HA ASN 94 -10.819 -16.433 4.145 585 HB2 ASN 94 2HB ASN 94 -11.677 -17.519 6.798 586 HB3 ASN 94 1HB ASN 94 -12.849 -16.657 5.805 587 HD21 ASN 94 1HD2 ASN 94 -11.453 -19.606 6.453 588 HD22 ASN 94 2HD2 ASN 94 -11.958 -20.460 5.039 589 H MET 95 H MET 95 -9.285 -14.373 4.792 590 HA MET 95 HA MET 95 -11.093 -12.250 5.160 591 HB2 MET 95 2HB MET 95 -10.214 -11.352 7.304 592 HB3 MET 95 1HB MET 95 -11.099 -12.859 7.494 593 HG2 MET 95 2HG MET 95 -9.027 -14.092 7.679 594 HG3 MET 95 1HG MET 95 -8.100 -12.621 7.393 595 HE1 MET 95 3HE MET 95 -6.803 -13.129 10.340 596 HE2 MET 95 1HE MET 95 -7.207 -11.421 10.504 597 HE3 MET 95 2HE MET 95 -6.807 -12.085 8.919 598 H ASP 96 H ASP 96 -7.719 -13.261 5.546 599 HA ASP 96 HA ASP 96 -5.760 -12.369 4.817 600 HB2 ASP 96 2HB ASP 96 -7.514 -11.029 2.749 601 HB3 ASP 96 1HB ASP 96 -5.773 -11.268 2.639 602 H LEU 97 H LEU 97 -7.503 -10.856 6.742 603 HA LEU 97 HA LEU 97 -7.700 -8.797 7.719 604 HB2 LEU 97 2HB LEU 97 -5.626 -7.905 8.432 605 HB3 LEU 97 1HB LEU 97 -5.429 -9.644 8.326 606 HG LEU 97 HG LEU 97 -4.631 -8.210 5.890 607 HD11 LEU 97 1HD1 LEU 97 -3.628 -6.530 7.018 608 HD12 LEU 97 2HD1 LEU 97 -2.378 -7.749 7.263 609 HD13 LEU 97 3HD1 LEU 97 -3.562 -7.436 8.530 610 HD21 LEU 97 3HD2 LEU 97 -2.605 -9.673 6.268 611 HD22 LEU 97 1HD2 LEU 97 -4.138 -10.516 6.051 612 HD23 LEU 97 2HD2 LEU 97 -3.454 -10.334 7.666 613 H LEU 98 H LEU 98 -8.644 -8.544 5.188 614 HA LEU 98 HA LEU 98 -7.370 -6.423 3.750 615 HB2 LEU 98 2HB LEU 98 -9.443 -8.275 3.275 616 HB3 LEU 98 1HB LEU 98 -10.161 -6.684 3.109 617 HG LEU 98 HG LEU 98 -9.431 -7.396 0.948 618 HD11 LEU 98 1HD1 LEU 98 -8.459 -5.457 0.335 619 HD12 LEU 98 2HD1 LEU 98 -7.177 -5.592 1.538 620 HD13 LEU 98 3HD1 LEU 98 -8.775 -5.018 2.014 621 HD21 LEU 98 3HD2 LEU 98 -7.022 -7.895 0.525 622 HD22 LEU 98 1HD2 LEU 98 -7.851 -9.098 1.515 623 HD23 LEU 98 2HD2 LEU 98 -6.776 -7.922 2.272 624 H LYS 99 H LYS 99 -9.620 -6.599 6.360 625 HA LYS 99 HA LYS 99 -10.984 -4.182 6.089 626 HB2 LYS 99 2HB LYS 99 -10.143 -5.687 8.566 627 HB3 LYS 99 1HB LYS 99 -11.226 -4.303 8.588 628 HG2 LYS 99 2HG LYS 99 -12.272 -6.058 6.671 629 HG3 LYS 99 1HG LYS 99 -11.800 -7.060 8.046 630 HD2 LYS 99 2HD LYS 99 -13.801 -6.479 8.887 631 HD3 LYS 99 1HD LYS 99 -13.008 -4.955 9.288 632 HE2 LYS 99 2HE LYS 99 -15.005 -4.368 8.179 633 HE3 LYS 99 1HE LYS 99 -13.715 -4.140 6.999 634 HZ1 LYS 99 3HZ LYS 99 -15.442 -5.250 5.885 635 HZ2 LYS 99 1HZ LYS 99 -15.674 -6.356 7.145 636 HZ3 LYS 99 2HZ LYS 99 -14.279 -6.439 6.191 637 H GLN 100 H GLN 100 -7.687 -4.771 6.857 638 HA GLN 100 HA GLN 100 -7.236 -2.288 8.234 639 HB2 GLN 100 2HB GLN 100 -5.874 -4.592 8.215 640 HB3 GLN 100 1HB GLN 100 -4.984 -3.749 6.955 641 HG2 GLN 100 2HG GLN 100 -4.248 -2.092 8.409 642 HG3 GLN 100 1HG GLN 100 -5.492 -2.456 9.604 643 HE21 GLN 100 1HE2 GLN 100 -4.851 -3.547 11.310 644 HE22 GLN 100 2HE2 GLN 100 -3.464 -4.571 11.406 645 H ALA 101 H ALA 101 -6.421 -3.570 5.022 646 HA ALA 101 HA ALA 101 -5.168 -1.333 3.968 647 HB1 ALA 101 1HB ALA 101 -6.420 -3.750 2.922 648 HB2 ALA 101 2HB ALA 101 -4.929 -2.943 2.435 649 HB3 ALA 101 3HB ALA 101 -6.479 -2.388 1.803 650 H LEU 102 H LEU 102 -8.615 -2.195 3.888 651 HA LEU 102 HA LEU 102 -9.408 0.160 2.502 652 HB2 LEU 102 2HB LEU 102 -11.700 -0.508 3.127 653 HB3 LEU 102 1HB LEU 102 -10.786 -1.803 2.377 654 HG LEU 102 HG LEU 102 -10.292 -2.424 4.920 655 HD11 LEU 102 1HD1 LEU 102 -12.428 -2.084 6.199 656 HD12 LEU 102 2HD1 LEU 102 -12.879 -0.892 4.980 657 HD13 LEU 102 3HD1 LEU 102 -11.444 -0.638 5.972 658 HD21 LEU 102 3HD2 LEU 102 -12.457 -3.136 3.035 659 HD22 LEU 102 1HD2 LEU 102 -12.638 -3.685 4.702 660 HD23 LEU 102 2HD2 LEU 102 -11.212 -4.146 3.773 661 H LEU 103 H LEU 103 -8.781 -0.570 5.818 662 HA LEU 103 HA LEU 103 -10.288 1.659 6.859 663 HB2 LEU 103 2HB LEU 103 -8.566 -0.483 7.989 664 HB3 LEU 103 1HB LEU 103 -8.742 0.988 8.928 665 HG LEU 103 HG LEU 103 -11.051 -0.705 7.972 666 HD11 LEU 103 1HD1 LEU 103 -11.195 -1.178 10.493 667 HD12 LEU 103 2HD1 LEU 103 -9.504 -0.681 10.537 668 HD13 LEU 103 3HD1 LEU 103 -9.994 -2.055 9.544 669 HD21 LEU 103 3HD2 LEU 103 -10.804 1.866 9.406 670 HD22 LEU 103 1HD2 LEU 103 -12.005 0.731 10.020 671 HD23 LEU 103 2HD2 LEU 103 -12.082 1.274 8.344 672 H ILE 104 H ILE 104 -6.892 0.919 6.191 673 HA ILE 104 HA ILE 104 -5.838 3.286 7.327 674 HB ILE 104 HB ILE 104 -3.807 2.800 5.984 675 HG12 ILE 104 2HG1 ILE 104 -5.062 0.239 5.087 676 HG13 ILE 104 1HG1 ILE 104 -5.338 1.695 4.138 677 HG21 ILE 104 1HG2 ILE 104 -3.553 1.737 7.957 678 HG22 ILE 104 2HG2 ILE 104 -3.709 0.296 6.953 679 HG23 ILE 104 3HG2 ILE 104 -5.107 0.912 7.836 680 HD11 ILE 104 3HD1 ILE 104 -2.841 0.153 4.567 681 HD12 ILE 104 1HD1 ILE 104 -2.725 1.891 4.291 682 HD13 ILE 104 2HD1 ILE 104 -3.501 0.858 3.089 683 H LEU 105 H LEU 105 -7.133 2.541 4.148 684 HA LEU 105 HA LEU 105 -6.185 5.005 2.990 685 HB2 LEU 105 2HB LEU 105 -7.442 4.350 1.016 686 HB3 LEU 105 1HB LEU 105 -6.456 3.021 1.593 687 HG LEU 105 HG LEU 105 -8.653 2.269 2.796 688 HD11 LEU 105 1HD1 LEU 105 -9.550 4.539 1.296 689 HD12 LEU 105 2HD1 LEU 105 -10.447 3.515 2.415 690 HD13 LEU 105 3HD1 LEU 105 -10.348 3.080 0.708 691 HD21 LEU 105 3HD2 LEU 105 -7.781 1.947 -0.023 692 HD22 LEU 105 1HD2 LEU 105 -9.362 1.307 0.429 693 HD23 LEU 105 2HD2 LEU 105 -7.913 0.752 1.267 694 H HIS 106 H HIS 106 -9.231 3.764 4.268 695 HA HIS 106 HA HIS 106 -10.748 6.079 3.562 696 HB2 HIS 106 2HB HIS 106 -11.481 3.599 4.197 697 HB3 HIS 106 1HB HIS 106 -11.616 4.314 5.801 698 HD1 HIS 106 1HD HIS 106 -14.003 4.797 6.200 699 HD2 HIS 106 2HD HIS 106 -12.872 5.710 2.314 700 HE1 HIS 106 1HE HIS 106 -16.043 5.789 5.131 701 HE2 HIS 106 2HE HIS 106 -15.365 6.256 2.747 702 H ASN 107 H ASN 107 -9.428 4.866 6.636 703 HA ASN 107 HA ASN 107 -10.256 7.037 8.219 704 HB2 ASN 107 2HB ASN 107 -7.963 5.093 8.537 705 HB3 ASN 107 1HB ASN 107 -8.401 6.281 9.764 706 HD21 ASN 107 1HD2 ASN 107 -8.879 4.669 11.254 707 HD22 ASN 107 2HD2 ASN 107 -10.314 3.714 11.139 708 H ASP 108 H ASP 108 -7.095 6.420 6.692 709 HA ASP 108 HA ASP 108 -5.823 8.758 7.512 710 HB2 ASP 108 2HB ASP 108 -4.758 6.762 6.392 711 HB3 ASP 108 1HB ASP 108 -5.378 7.371 4.861 712 H LEU 109 H LEU 109 -8.081 8.201 4.897 713 HA LEU 109 HA LEU 109 -7.715 10.946 3.944 714 HB2 LEU 109 2HB LEU 109 -7.757 8.947 2.376 715 HB3 LEU 109 1HB LEU 109 -9.471 8.826 2.728 716 HG LEU 109 HG LEU 109 -9.515 11.333 1.972 717 HD11 LEU 109 1HD1 LEU 109 -7.242 11.807 1.675 718 HD12 LEU 109 2HD1 LEU 109 -7.862 11.584 0.047 719 HD13 LEU 109 3HD1 LEU 109 -6.943 10.293 0.828 720 HD21 LEU 109 3HD2 LEU 109 -9.789 10.519 -0.407 721 HD22 LEU 109 1HD2 LEU 109 -10.779 9.717 0.807 722 HD23 LEU 109 2HD2 LEU 109 -9.332 8.925 0.183 723 H HIS 110 H HIS 110 -9.543 9.438 6.227 724 HA HIS 110 HA HIS 110 -12.115 10.536 5.656 725 HB2 HIS 110 2HB HIS 110 -11.170 8.637 7.401 726 HB3 HIS 110 1HB HIS 110 -11.545 9.970 8.472 727 HD1 HIS 110 1HD HIS 110 -13.213 7.782 5.876 728 HD2 HIS 110 2HD HIS 110 -14.193 10.263 9.066 729 HE1 HIS 110 1HE HIS 110 -15.688 7.489 6.224 730 HE2 HIS 110 2HE HIS 110 -16.237 8.919 8.224 731 H GLU 111 H GLU 111 -10.092 11.268 8.510 732 HA GLU 111 HA GLU 111 -11.228 13.938 8.573 733 HB2 GLU 111 2HB GLU 111 -10.392 12.153 10.522 734 HB3 GLU 111 1HB GLU 111 -9.147 13.390 10.537 735 HG2 GLU 111 2HG GLU 111 -10.730 14.091 12.107 736 HG3 GLU 111 1HG GLU 111 -11.036 15.078 10.691 737 H TYR 112 H TYR 112 -7.901 12.705 8.923 738 HA TYR 112 HA TYR 112 -6.616 13.934 6.863 739 HB2 TYR 112 2HB TYR 112 -7.602 15.957 8.639 740 HB3 TYR 112 1HB TYR 112 -5.845 15.905 8.798 741 HD1 TYR 112 1HD TYR 112 -7.952 15.290 5.784 742 HD2 TYR 112 2HD TYR 112 -5.108 17.810 7.685 743 HE1 TYR 112 1HE TYR 112 -7.732 16.595 3.709 744 HE2 TYR 112 2HE TYR 112 -4.881 19.130 5.623 745 HH TYR 112 HH TYR 112 -7.031 18.779 2.970 746 H VAL 113 H VAL 113 -6.569 13.463 10.334 747 HA VAL 113 HA VAL 113 -3.735 13.120 10.530 748 HB VAL 113 HB VAL 113 -5.129 13.873 12.436 749 HG11 VAL 113 1HG1 VAL 113 -6.068 11.017 12.616 750 HG12 VAL 113 2HG1 VAL 113 -7.029 12.316 11.907 751 HG13 VAL 113 3HG1 VAL 113 -6.569 12.384 13.610 752 HG21 VAL 113 3HG2 VAL 113 -2.880 12.628 12.620 753 HG22 VAL 113 1HG2 VAL 113 -3.845 11.270 13.194 754 HG23 VAL 113 2HG2 VAL 113 -3.865 12.793 14.071 755 H GLU 114 H GLU 114 -2.604 11.362 10.062 756 HA GLU 114 HA GLU 114 -4.001 8.892 9.418 757 HB2 GLU 114 2HB GLU 114 -1.023 9.253 9.255 758 HB3 GLU 114 1HB GLU 114 -2.064 8.213 8.294 759 HG2 GLU 114 2HG GLU 114 -1.850 9.774 6.721 760 HG3 GLU 114 1HG GLU 114 -3.024 10.680 7.667
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