NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
635532 | 6n8c | 30545 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 14.473 8.791 -6.082 2 H2 ALA 1 HT2 ALA 1 12.797 8.614 -6.290 3 H3 ALA 1 HT3 ALA 1 13.873 7.629 -7.161 4 HA ALA 1 HA ALA 1 14.641 6.626 -5.081 5 HB1 ALA 1 HB1 ALA 1 13.389 7.092 -3.027 6 HB2 ALA 1 HB2 ALA 1 12.367 8.243 -3.889 7 HB3 ALA 1 HB3 ALA 1 14.081 8.588 -3.655 8 H THR 2 HN THR 2 13.713 4.634 -4.581 9 HA THR 2 HA THR 2 11.691 3.693 -6.336 10 HB THR 2 HB THR 2 11.851 1.601 -5.041 11 HG1 THR 2 HG1 THR 2 13.349 1.640 -3.262 12 HG21 THR 2 HG21 THR 2 14.266 1.216 -5.382 13 HG22 THR 2 HG22 THR 2 14.521 2.955 -5.520 14 HG23 THR 2 HG23 THR 2 13.565 2.105 -6.734 15 H LEU 3 HN LEU 3 11.683 4.648 -2.929 16 HA LEU 3 HA LEU 3 9.112 3.786 -2.232 17 HB2 LEU 3 HB2 LEU 3 10.736 6.154 -1.280 18 HB3 LEU 3 HB1 LEU 3 9.225 5.643 -0.528 19 HG LEU 3 HG LEU 3 11.583 3.784 -0.912 20 HD11 LEU 3 HD11 LEU 3 10.796 5.426 1.516 21 HD12 LEU 3 HD12 LEU 3 12.256 5.640 0.549 22 HD13 LEU 3 HD13 LEU 3 12.035 4.171 1.500 23 HD21 LEU 3 HD21 LEU 3 9.030 3.692 0.719 24 HD22 LEU 3 HD22 LEU 3 10.361 2.557 0.938 25 HD23 LEU 3 HD23 LEU 3 9.494 2.613 -0.596 26 H GLU 4 HN GLU 4 10.187 6.899 -3.586 27 HA GLU 4 HA GLU 4 7.704 8.190 -3.625 28 HB2 GLU 4 HB2 GLU 4 9.837 9.341 -4.055 29 HB3 GLU 4 HB1 GLU 4 9.994 8.477 -5.585 30 HG2 GLU 4 HG2 GLU 4 7.908 9.488 -6.393 31 HG3 GLU 4 HG1 GLU 4 7.706 10.326 -4.855 32 H LYS 5 HN LYS 5 9.273 6.191 -6.117 33 HA LYS 5 HA LYS 5 7.310 6.421 -8.098 34 HB2 LYS 5 HB2 LYS 5 9.517 5.417 -8.503 35 HB3 LYS 5 HB1 LYS 5 9.085 4.046 -7.480 36 HG2 LYS 5 HG2 LYS 5 7.226 3.486 -8.991 37 HG3 LYS 5 HG1 LYS 5 7.627 4.870 -10.008 38 HD2 LYS 5 HD2 LYS 5 9.832 3.912 -10.488 39 HD3 LYS 5 HD1 LYS 5 9.486 2.547 -9.426 40 HE2 LYS 5 HE2 LYS 5 9.080 1.910 -11.758 41 HE3 LYS 5 HE1 LYS 5 7.557 1.939 -10.868 42 HZ1 LYS 5 HZ1 LYS 5 7.710 3.099 -13.151 43 HZ2 LYS 5 HZ2 LYS 5 8.477 4.346 -12.289 44 HZ3 LYS 5 HZ3 LYS 5 6.895 3.877 -11.883 45 H LEU 6 HN LEU 6 7.644 4.023 -5.490 46 HA LEU 6 HA LEU 6 5.426 2.440 -6.127 47 HB2 LEU 6 HB2 LEU 6 7.090 1.756 -4.471 48 HB3 LEU 6 HB1 LEU 6 6.600 3.075 -3.408 49 HG LEU 6 HG LEU 6 4.322 2.108 -3.274 50 HD11 LEU 6 HD11 LEU 6 4.121 0.973 -5.373 51 HD12 LEU 6 HD12 LEU 6 4.094 -0.283 -4.136 52 HD13 LEU 6 HD13 LEU 6 5.564 0.008 -5.065 53 HD21 LEU 6 HD21 LEU 6 4.944 0.092 -1.954 54 HD22 LEU 6 HD22 LEU 6 5.981 1.469 -1.584 55 HD23 LEU 6 HD23 LEU 6 6.572 0.176 -2.627 56 H MET 7 HN MET 7 5.665 5.280 -3.996 57 HA MET 7 HA MET 7 3.006 5.333 -3.130 58 HB2 MET 7 HB2 MET 7 5.117 7.444 -3.442 59 HB3 MET 7 HB1 MET 7 3.481 7.885 -2.951 60 HG2 MET 7 HG2 MET 7 5.007 5.680 -1.563 61 HG3 MET 7 HG1 MET 7 5.161 7.366 -1.068 62 HE1 MET 7 HE1 MET 7 2.492 4.326 0.253 63 HE2 MET 7 HE2 MET 7 3.651 4.260 -1.071 64 HE3 MET 7 HE3 MET 7 1.942 4.500 -1.418 65 H LYS 8 HN LYS 8 4.513 6.908 -5.937 66 HA LYS 8 HA LYS 8 2.253 8.258 -6.887 67 HB2 LYS 8 HB2 LYS 8 4.515 8.654 -7.762 68 HB3 LYS 8 HB1 LYS 8 4.526 7.041 -8.475 69 HG2 LYS 8 HG2 LYS 8 2.692 7.604 -9.947 70 HG3 LYS 8 HG1 LYS 8 2.458 9.154 -9.137 71 HD2 LYS 8 HD2 LYS 8 3.688 9.604 -11.153 72 HD3 LYS 8 HD1 LYS 8 4.828 9.749 -9.815 73 HE2 LYS 8 HE2 LYS 8 5.859 8.448 -11.600 74 HE3 LYS 8 HE1 LYS 8 5.546 7.391 -10.224 75 HZ1 LYS 8 HZ1 LYS 8 3.668 6.485 -11.274 76 HZ2 LYS 8 HZ2 LYS 8 4.872 6.523 -12.471 77 HZ3 LYS 8 HZ3 LYS 8 3.638 7.690 -12.467 78 H ALA 9 HN ALA 9 3.448 4.993 -7.648 79 HA ALA 9 HA ALA 9 1.497 4.290 -9.530 80 HB1 ALA 9 HB1 ALA 9 3.610 3.013 -8.928 81 HB2 ALA 9 HB2 ALA 9 2.166 2.031 -9.174 82 HB3 ALA 9 HB3 ALA 9 2.726 2.383 -7.538 83 H PHE 10 HN PHE 10 1.527 3.840 -5.999 84 HA PHE 10 HA PHE 10 -0.920 2.500 -5.752 85 HB2 PHE 10 HB2 PHE 10 0.722 2.747 -3.921 86 HB3 PHE 10 HB1 PHE 10 0.336 4.464 -3.820 87 HD1 PHE 10 HD1 PHE 10 -1.048 1.041 -3.423 88 HD2 PHE 10 HD2 PHE 10 -1.640 5.236 -2.716 89 HE1 PHE 10 HE1 PHE 10 -2.965 0.520 -1.939 90 HE2 PHE 10 HE2 PHE 10 -3.558 4.715 -1.233 91 HZ PHE 10 HZ PHE 10 -4.219 2.357 -0.844 92 H GLU 11 HN GLU 11 -0.208 5.988 -5.651 93 HA GLU 11 HA GLU 11 -2.808 6.904 -5.156 94 HB2 GLU 11 HB2 GLU 11 -0.513 8.160 -6.673 95 HB3 GLU 11 HB1 GLU 11 -2.011 9.013 -6.301 96 HG2 GLU 11 HG2 GLU 11 -0.154 7.749 -4.264 97 HG3 GLU 11 HG1 GLU 11 -0.280 9.475 -4.601 98 H SER 12 HN SER 12 -1.147 6.319 -8.250 99 HA SER 12 HA SER 12 -3.212 7.148 -9.953 100 HB2 SER 12 HB2 SER 12 -2.129 5.791 -11.672 101 HB3 SER 12 HB1 SER 12 -0.916 6.648 -10.727 102 HG SER 12 HG SER 12 -0.630 4.290 -11.148 103 H LEU 13 HN LEU 13 -2.512 3.935 -8.590 104 HA LEU 13 HA LEU 13 -4.593 2.518 -9.819 105 HB2 LEU 13 HB2 LEU 13 -3.253 2.158 -7.131 106 HB3 LEU 13 HB1 LEU 13 -4.390 0.995 -7.815 107 HG LEU 13 HG LEU 13 -1.930 1.939 -9.300 108 HD11 LEU 13 HD11 LEU 13 -1.041 -0.367 -8.624 109 HD12 LEU 13 HD12 LEU 13 -2.309 -0.382 -7.398 110 HD13 LEU 13 HD13 LEU 13 -1.059 0.861 -7.358 111 HD21 LEU 13 HD21 LEU 13 -3.553 0.978 -10.771 112 HD22 LEU 13 HD22 LEU 13 -3.929 -0.311 -9.628 113 HD23 LEU 13 HD23 LEU 13 -2.376 -0.300 -10.464 114 H LYS 14 HN LYS 14 -4.533 4.239 -6.704 115 HA LYS 14 HA LYS 14 -7.140 3.640 -5.885 116 HB2 LYS 14 HB2 LYS 14 -5.264 5.909 -5.290 117 HB3 LYS 14 HB1 LYS 14 -6.914 5.932 -4.667 118 HG2 LYS 14 HG2 LYS 14 -5.118 3.530 -4.307 119 HG3 LYS 14 HG1 LYS 14 -5.122 4.868 -3.156 120 HD2 LYS 14 HD2 LYS 14 -7.590 4.586 -2.894 121 HD3 LYS 14 HD1 LYS 14 -7.513 3.179 -3.952 122 HE2 LYS 14 HE2 LYS 14 -7.447 2.340 -1.710 123 HE3 LYS 14 HE1 LYS 14 -5.807 2.203 -2.340 124 HZ1 LYS 14 HZ1 LYS 14 -5.374 4.416 -1.295 125 HZ2 LYS 14 HZ2 LYS 14 -5.658 3.153 -0.196 126 HZ3 LYS 14 HZ3 LYS 14 -6.878 4.287 -0.525 127 H SER 15 HN SER 15 -5.926 6.388 -7.787 128 HA SER 15 HA SER 15 -8.352 7.756 -8.085 129 HB2 SER 15 HB2 SER 15 -5.984 7.567 -9.961 130 HB3 SER 15 HB1 SER 15 -7.308 8.713 -10.146 131 HG SER 15 HG SER 15 -5.156 8.953 -8.650 132 H PHE 16 HN PHE 16 -6.861 5.243 -10.116 133 HA PHE 16 HA PHE 16 -8.819 5.135 -12.116 134 HB2 PHE 16 HB2 PHE 16 -6.864 3.132 -11.018 135 HB3 PHE 16 HB1 PHE 16 -8.034 2.654 -12.246 136 HD1 PHE 16 HD1 PHE 16 -6.928 6.128 -12.254 137 HD2 PHE 16 HD2 PHE 16 -6.101 2.197 -13.779 138 HE1 PHE 16 HE1 PHE 16 -5.487 7.113 -14.013 139 HE2 PHE 16 HE2 PHE 16 -4.661 3.184 -15.538 140 HZ PHE 16 HZ PHE 16 -4.353 5.641 -15.655 141 H GLN 17 HN GLN 17 -8.563 3.312 -9.073 142 HA GLN 17 HA GLN 17 -10.839 1.712 -9.379 143 HB2 GLN 17 HB2 GLN 17 -8.993 1.653 -7.559 144 HB3 GLN 17 HB1 GLN 17 -10.008 2.819 -6.709 145 HG2 GLN 17 HG2 GLN 17 -11.185 0.269 -7.795 146 HG3 GLN 17 HG1 GLN 17 -10.374 0.288 -6.230 147 HE21 GLN 17 HE21 GLN 17 -13.318 -0.054 -6.861 148 HE22 GLN 17 HE22 GLN 17 -14.097 1.167 -5.977 149 H1 ALA 1 HT1 ALA 1 -14.473 -8.791 -6.082 150 H2 ALA 1 HT2 ALA 1 -12.797 -8.614 -6.290 151 H3 ALA 1 HT3 ALA 1 -13.873 -7.629 -7.161 152 HA ALA 1 HA ALA 1 -14.641 -6.626 -5.081 153 HB1 ALA 1 HB1 ALA 1 -13.389 -7.092 -3.027 154 HB2 ALA 1 HB2 ALA 1 -12.367 -8.243 -3.889 155 HB3 ALA 1 HB3 ALA 1 -14.081 -8.588 -3.655 156 H THR 2 HN THR 2 -13.713 -4.634 -4.581 157 HA THR 2 HA THR 2 -11.691 -3.693 -6.336 158 HB THR 2 HB THR 2 -11.851 -1.601 -5.041 159 HG1 THR 2 HG1 THR 2 -13.349 -1.640 -3.262 160 HG21 THR 2 HG21 THR 2 -14.266 -1.216 -5.382 161 HG22 THR 2 HG22 THR 2 -14.521 -2.955 -5.520 162 HG23 THR 2 HG23 THR 2 -13.565 -2.105 -6.734 163 H LEU 3 HN LEU 3 -11.683 -4.648 -2.929 164 HA LEU 3 HA LEU 3 -9.112 -3.786 -2.232 165 HB2 LEU 3 HB2 LEU 3 -10.736 -6.154 -1.280 166 HB3 LEU 3 HB1 LEU 3 -9.225 -5.643 -0.528 167 HG LEU 3 HG LEU 3 -11.583 -3.784 -0.912 168 HD11 LEU 3 HD11 LEU 3 -10.796 -5.426 1.516 169 HD12 LEU 3 HD12 LEU 3 -12.256 -5.640 0.549 170 HD13 LEU 3 HD13 LEU 3 -12.035 -4.171 1.500 171 HD21 LEU 3 HD21 LEU 3 -9.030 -3.692 0.719 172 HD22 LEU 3 HD22 LEU 3 -10.361 -2.557 0.938 173 HD23 LEU 3 HD23 LEU 3 -9.494 -2.613 -0.596 174 H GLU 4 HN GLU 4 -10.187 -6.899 -3.586 175 HA GLU 4 HA GLU 4 -7.704 -8.190 -3.625 176 HB2 GLU 4 HB2 GLU 4 -9.837 -9.341 -4.055 177 HB3 GLU 4 HB1 GLU 4 -9.994 -8.477 -5.585 178 HG2 GLU 4 HG2 GLU 4 -7.908 -9.488 -6.393 179 HG3 GLU 4 HG1 GLU 4 -7.706 -10.326 -4.855 180 H LYS 5 HN LYS 5 -9.273 -6.191 -6.117 181 HA LYS 5 HA LYS 5 -7.310 -6.421 -8.098 182 HB2 LYS 5 HB2 LYS 5 -9.517 -5.417 -8.503 183 HB3 LYS 5 HB1 LYS 5 -9.085 -4.046 -7.480 184 HG2 LYS 5 HG2 LYS 5 -7.226 -3.486 -8.991 185 HG3 LYS 5 HG1 LYS 5 -7.627 -4.870 -10.008 186 HD2 LYS 5 HD2 LYS 5 -9.832 -3.912 -10.488 187 HD3 LYS 5 HD1 LYS 5 -9.486 -2.547 -9.426 188 HE2 LYS 5 HE2 LYS 5 -9.080 -1.910 -11.758 189 HE3 LYS 5 HE1 LYS 5 -7.557 -1.939 -10.868 190 HZ1 LYS 5 HZ1 LYS 5 -7.710 -3.099 -13.151 191 HZ2 LYS 5 HZ2 LYS 5 -8.477 -4.346 -12.289 192 HZ3 LYS 5 HZ3 LYS 5 -6.895 -3.877 -11.883 193 H LEU 6 HN LEU 6 -7.644 -4.023 -5.490 194 HA LEU 6 HA LEU 6 -5.426 -2.440 -6.127 195 HB2 LEU 6 HB2 LEU 6 -7.090 -1.756 -4.471 196 HB3 LEU 6 HB1 LEU 6 -6.600 -3.075 -3.408 197 HG LEU 6 HG LEU 6 -4.322 -2.108 -3.274 198 HD11 LEU 6 HD11 LEU 6 -4.121 -0.973 -5.373 199 HD12 LEU 6 HD12 LEU 6 -4.094 0.283 -4.136 200 HD13 LEU 6 HD13 LEU 6 -5.564 -0.008 -5.065 201 HD21 LEU 6 HD21 LEU 6 -4.944 -0.092 -1.954 202 HD22 LEU 6 HD22 LEU 6 -5.981 -1.469 -1.584 203 HD23 LEU 6 HD23 LEU 6 -6.572 -0.176 -2.627 204 H MET 7 HN MET 7 -5.665 -5.280 -3.996 205 HA MET 7 HA MET 7 -3.006 -5.333 -3.130 206 HB2 MET 7 HB2 MET 7 -5.117 -7.444 -3.442 207 HB3 MET 7 HB1 MET 7 -3.481 -7.885 -2.951 208 HG2 MET 7 HG2 MET 7 -5.007 -5.680 -1.563 209 HG3 MET 7 HG1 MET 7 -5.161 -7.366 -1.068 210 HE1 MET 7 HE1 MET 7 -2.492 -4.326 0.253 211 HE2 MET 7 HE2 MET 7 -3.651 -4.260 -1.071 212 HE3 MET 7 HE3 MET 7 -1.942 -4.500 -1.418 213 H LYS 8 HN LYS 8 -4.513 -6.908 -5.937 214 HA LYS 8 HA LYS 8 -2.253 -8.258 -6.887 215 HB2 LYS 8 HB2 LYS 8 -4.515 -8.654 -7.762 216 HB3 LYS 8 HB1 LYS 8 -4.526 -7.041 -8.475 217 HG2 LYS 8 HG2 LYS 8 -2.692 -7.604 -9.947 218 HG3 LYS 8 HG1 LYS 8 -2.458 -9.154 -9.137 219 HD2 LYS 8 HD2 LYS 8 -3.688 -9.604 -11.153 220 HD3 LYS 8 HD1 LYS 8 -4.828 -9.749 -9.815 221 HE2 LYS 8 HE2 LYS 8 -5.859 -8.448 -11.600 222 HE3 LYS 8 HE1 LYS 8 -5.546 -7.391 -10.224 223 HZ1 LYS 8 HZ1 LYS 8 -3.668 -6.485 -11.274 224 HZ2 LYS 8 HZ2 LYS 8 -4.872 -6.523 -12.471 225 HZ3 LYS 8 HZ3 LYS 8 -3.638 -7.690 -12.467 226 H ALA 9 HN ALA 9 -3.448 -4.993 -7.648 227 HA ALA 9 HA ALA 9 -1.497 -4.290 -9.530 228 HB1 ALA 9 HB1 ALA 9 -3.610 -3.013 -8.928 229 HB2 ALA 9 HB2 ALA 9 -2.166 -2.031 -9.174 230 HB3 ALA 9 HB3 ALA 9 -2.726 -2.383 -7.538 231 H PHE 10 HN PHE 10 -1.527 -3.840 -5.999 232 HA PHE 10 HA PHE 10 0.920 -2.500 -5.752 233 HB2 PHE 10 HB2 PHE 10 -0.722 -2.747 -3.921 234 HB3 PHE 10 HB1 PHE 10 -0.336 -4.464 -3.820 235 HD1 PHE 10 HD1 PHE 10 1.048 -1.041 -3.423 236 HD2 PHE 10 HD2 PHE 10 1.640 -5.236 -2.716 237 HE1 PHE 10 HE1 PHE 10 2.965 -0.520 -1.939 238 HE2 PHE 10 HE2 PHE 10 3.558 -4.715 -1.233 239 HZ PHE 10 HZ PHE 10 4.219 -2.357 -0.844 240 H GLU 11 HN GLU 11 0.208 -5.988 -5.651 241 HA GLU 11 HA GLU 11 2.808 -6.904 -5.156 242 HB2 GLU 11 HB2 GLU 11 0.513 -8.160 -6.673 243 HB3 GLU 11 HB1 GLU 11 2.011 -9.013 -6.301 244 HG2 GLU 11 HG2 GLU 11 0.154 -7.749 -4.264 245 HG3 GLU 11 HG1 GLU 11 0.280 -9.475 -4.601 246 H SER 12 HN SER 12 1.147 -6.319 -8.250 247 HA SER 12 HA SER 12 3.214 -7.148 -9.950 248 HB2 SER 12 HB2 SER 12 2.132 -5.793 -11.673 249 HB3 SER 12 HB1 SER 12 0.919 -6.655 -10.731 250 HG SER 12 HG SER 12 1.711 -3.940 -10.528 251 H LEU 13 HN LEU 13 2.512 -3.935 -8.590 252 HA LEU 13 HA LEU 13 4.593 -2.518 -9.819 253 HB2 LEU 13 HB2 LEU 13 3.253 -2.158 -7.131 254 HB3 LEU 13 HB1 LEU 13 4.390 -0.995 -7.815 255 HG LEU 13 HG LEU 13 1.930 -1.939 -9.300 256 HD11 LEU 13 HD11 LEU 13 1.040 0.367 -8.624 257 HD12 LEU 13 HD12 LEU 13 2.309 0.382 -7.398 258 HD13 LEU 13 HD13 LEU 13 1.059 -0.861 -7.358 259 HD21 LEU 13 HD21 LEU 13 3.553 -0.978 -10.771 260 HD22 LEU 13 HD22 LEU 13 3.929 0.311 -9.628 261 HD23 LEU 13 HD23 LEU 13 2.376 0.300 -10.464 262 H LYS 14 HN LYS 14 4.533 -4.239 -6.704 263 HA LYS 14 HA LYS 14 7.140 -3.640 -5.885 264 HB2 LYS 14 HB2 LYS 14 5.264 -5.909 -5.290 265 HB3 LYS 14 HB1 LYS 14 6.914 -5.932 -4.667 266 HG2 LYS 14 HG2 LYS 14 5.118 -3.530 -4.307 267 HG3 LYS 14 HG1 LYS 14 5.122 -4.868 -3.156 268 HD2 LYS 14 HD2 LYS 14 7.590 -4.586 -2.894 269 HD3 LYS 14 HD1 LYS 14 7.513 -3.179 -3.952 270 HE2 LYS 14 HE2 LYS 14 7.447 -2.340 -1.710 271 HE3 LYS 14 HE1 LYS 14 5.807 -2.203 -2.340 272 HZ1 LYS 14 HZ1 LYS 14 5.374 -4.416 -1.295 273 HZ2 LYS 14 HZ2 LYS 14 5.658 -3.153 -0.196 274 HZ3 LYS 14 HZ3 LYS 14 6.878 -4.287 -0.525 275 H SER 15 HN SER 15 5.926 -6.388 -7.787 276 HA SER 15 HA SER 15 8.355 -7.750 -8.082 277 HB2 SER 15 HB2 SER 15 7.335 -8.827 -10.023 278 HB3 SER 15 HB1 SER 15 6.161 -8.705 -8.717 279 HG SER 15 HG SER 15 5.463 -8.033 -10.891 280 H PHE 16 HN PHE 16 6.861 -5.243 -10.116 281 HA PHE 16 HA PHE 16 8.819 -5.135 -12.115 282 HB2 PHE 16 HB2 PHE 16 7.059 -2.937 -11.001 283 HB3 PHE 16 HB1 PHE 16 8.022 -2.789 -12.470 284 HD1 PHE 16 HD1 PHE 16 4.828 -2.952 -11.740 285 HD2 PHE 16 HD2 PHE 16 7.715 -5.481 -13.670 286 HE1 PHE 16 HE1 PHE 16 3.013 -4.030 -13.040 287 HE2 PHE 16 HE2 PHE 16 5.899 -6.559 -14.971 288 HZ PHE 16 HZ PHE 16 3.548 -5.833 -14.656 289 H GLN 17 HN GLN 17 8.563 -3.312 -9.073 290 HA GLN 17 HA GLN 17 10.839 -1.712 -9.379 291 HB2 GLN 17 HB2 GLN 17 8.993 -1.653 -7.559 292 HB3 GLN 17 HB1 GLN 17 10.008 -2.819 -6.709 293 HG2 GLN 17 HG2 GLN 17 11.185 -0.269 -7.795 294 HG3 GLN 17 HG1 GLN 17 10.374 -0.288 -6.230 295 HE21 GLN 17 HE21 GLN 17 13.318 0.054 -6.861 296 HE22 GLN 17 HE22 GLN 17 14.097 -1.167 -5.977 297 H1 ALA 1 HT1 ALA 1 8.791 14.473 6.082 298 H2 ALA 1 HT2 ALA 1 8.614 12.797 6.290 299 H3 ALA 1 HT3 ALA 1 7.629 13.873 7.161 300 HA ALA 1 HA ALA 1 6.626 14.641 5.081 301 HB1 ALA 1 HB1 ALA 1 7.092 13.389 3.027 302 HB2 ALA 1 HB2 ALA 1 8.243 12.367 3.889 303 HB3 ALA 1 HB3 ALA 1 8.588 14.081 3.655 304 H THR 2 HN THR 2 4.634 13.713 4.581 305 HA THR 2 HA THR 2 3.693 11.691 6.336 306 HB THR 2 HB THR 2 1.601 11.851 5.041 307 HG1 THR 2 HG1 THR 2 1.640 13.349 3.262 308 HG21 THR 2 HG21 THR 2 1.216 14.266 5.382 309 HG22 THR 2 HG22 THR 2 2.955 14.521 5.520 310 HG23 THR 2 HG23 THR 2 2.105 13.565 6.734 311 H LEU 3 HN LEU 3 4.648 11.683 2.929 312 HA LEU 3 HA LEU 3 3.786 9.112 2.232 313 HB2 LEU 3 HB2 LEU 3 6.154 10.736 1.280 314 HB3 LEU 3 HB1 LEU 3 5.643 9.225 0.528 315 HG LEU 3 HG LEU 3 3.784 11.583 0.912 316 HD11 LEU 3 HD11 LEU 3 5.426 10.796 -1.516 317 HD12 LEU 3 HD12 LEU 3 5.640 12.256 -0.549 318 HD13 LEU 3 HD13 LEU 3 4.171 12.035 -1.500 319 HD21 LEU 3 HD21 LEU 3 3.692 9.030 -0.719 320 HD22 LEU 3 HD22 LEU 3 2.557 10.361 -0.938 321 HD23 LEU 3 HD23 LEU 3 2.613 9.494 0.596 322 H GLU 4 HN GLU 4 6.899 10.187 3.586 323 HA GLU 4 HA GLU 4 8.190 7.704 3.625 324 HB2 GLU 4 HB2 GLU 4 9.341 9.837 4.055 325 HB3 GLU 4 HB1 GLU 4 8.477 9.994 5.585 326 HG2 GLU 4 HG2 GLU 4 9.488 7.908 6.393 327 HG3 GLU 4 HG1 GLU 4 10.326 7.706 4.855 328 H LYS 5 HN LYS 5 6.191 9.273 6.117 329 HA LYS 5 HA LYS 5 6.423 7.306 8.094 330 HB2 LYS 5 HB2 LYS 5 5.421 9.538 8.468 331 HB3 LYS 5 HB1 LYS 5 4.020 9.052 7.511 332 HG2 LYS 5 HG2 LYS 5 3.540 7.237 9.084 333 HG3 LYS 5 HG1 LYS 5 4.977 7.645 10.021 334 HD2 LYS 5 HD2 LYS 5 4.042 9.878 10.495 335 HD3 LYS 5 HD1 LYS 5 2.601 9.472 9.560 336 HE2 LYS 5 HE2 LYS 5 2.172 9.129 11.951 337 HE3 LYS 5 HE1 LYS 5 2.153 7.582 11.106 338 HZ1 LYS 5 HZ1 LYS 5 3.495 7.796 13.270 339 HZ2 LYS 5 HZ2 LYS 5 4.645 8.595 12.309 340 HZ3 LYS 5 HZ3 LYS 5 4.202 6.994 11.954 341 H LEU 6 HN LEU 6 4.023 7.644 5.490 342 HA LEU 6 HA LEU 6 2.440 5.426 6.127 343 HB2 LEU 6 HB2 LEU 6 1.756 7.090 4.471 344 HB3 LEU 6 HB1 LEU 6 3.075 6.600 3.408 345 HG LEU 6 HG LEU 6 2.108 4.322 3.274 346 HD11 LEU 6 HD11 LEU 6 0.973 4.121 5.373 347 HD12 LEU 6 HD12 LEU 6 -0.283 4.094 4.136 348 HD13 LEU 6 HD13 LEU 6 0.008 5.564 5.065 349 HD21 LEU 6 HD21 LEU 6 0.092 4.944 1.954 350 HD22 LEU 6 HD22 LEU 6 1.469 5.981 1.584 351 HD23 LEU 6 HD23 LEU 6 0.176 6.572 2.627 352 H MET 7 HN MET 7 5.280 5.665 3.996 353 HA MET 7 HA MET 7 5.333 3.006 3.130 354 HB2 MET 7 HB2 MET 7 7.444 5.117 3.442 355 HB3 MET 7 HB1 MET 7 7.885 3.481 2.951 356 HG2 MET 7 HG2 MET 7 5.680 5.007 1.563 357 HG3 MET 7 HG1 MET 7 7.366 5.161 1.068 358 HE1 MET 7 HE1 MET 7 4.326 2.492 -0.253 359 HE2 MET 7 HE2 MET 7 4.260 3.651 1.071 360 HE3 MET 7 HE3 MET 7 4.500 1.942 1.418 361 H LYS 8 HN LYS 8 6.908 4.513 5.937 362 HA LYS 8 HA LYS 8 8.258 2.253 6.887 363 HB2 LYS 8 HB2 LYS 8 8.654 4.515 7.762 364 HB3 LYS 8 HB1 LYS 8 7.041 4.526 8.475 365 HG2 LYS 8 HG2 LYS 8 7.604 2.692 9.947 366 HG3 LYS 8 HG1 LYS 8 9.154 2.458 9.137 367 HD2 LYS 8 HD2 LYS 8 9.604 3.688 11.153 368 HD3 LYS 8 HD1 LYS 8 9.749 4.828 9.815 369 HE2 LYS 8 HE2 LYS 8 8.448 5.859 11.600 370 HE3 LYS 8 HE1 LYS 8 7.391 5.546 10.224 371 HZ1 LYS 8 HZ1 LYS 8 6.485 3.668 11.274 372 HZ2 LYS 8 HZ2 LYS 8 6.523 4.872 12.471 373 HZ3 LYS 8 HZ3 LYS 8 7.690 3.638 12.467 374 H ALA 9 HN ALA 9 4.993 3.448 7.648 375 HA ALA 9 HA ALA 9 4.290 1.497 9.530 376 HB1 ALA 9 HB1 ALA 9 3.013 3.610 8.928 377 HB2 ALA 9 HB2 ALA 9 2.031 2.166 9.174 378 HB3 ALA 9 HB3 ALA 9 2.383 2.726 7.538 379 H PHE 10 HN PHE 10 3.840 1.527 5.999 380 HA PHE 10 HA PHE 10 2.500 -0.920 5.752 381 HB2 PHE 10 HB2 PHE 10 2.747 0.722 3.921 382 HB3 PHE 10 HB1 PHE 10 4.464 0.336 3.820 383 HD1 PHE 10 HD1 PHE 10 1.041 -1.048 3.423 384 HD2 PHE 10 HD2 PHE 10 5.236 -1.640 2.716 385 HE1 PHE 10 HE1 PHE 10 0.520 -2.965 1.939 386 HE2 PHE 10 HE2 PHE 10 4.715 -3.558 1.233 387 HZ PHE 10 HZ PHE 10 2.357 -4.219 0.844 388 H GLU 11 HN GLU 11 5.988 -0.208 5.651 389 HA GLU 11 HA GLU 11 6.904 -2.808 5.156 390 HB2 GLU 11 HB2 GLU 11 8.160 -0.513 6.673 391 HB3 GLU 11 HB1 GLU 11 9.013 -2.011 6.301 392 HG2 GLU 11 HG2 GLU 11 7.749 -0.154 4.264 393 HG3 GLU 11 HG1 GLU 11 9.475 -0.280 4.601 394 H SER 12 HN SER 12 6.319 -1.147 8.250 395 HA SER 12 HA SER 12 7.148 -3.205 9.962 396 HB2 SER 12 HB2 SER 12 5.002 -1.104 10.339 397 HB3 SER 12 HB1 SER 12 5.613 -2.138 11.627 398 HG SER 12 HG SER 12 6.612 0.124 10.863 399 H LEU 13 HN LEU 13 3.935 -2.512 8.590 400 HA LEU 13 HA LEU 13 2.518 -4.593 9.819 401 HB2 LEU 13 HB2 LEU 13 2.158 -3.253 7.131 402 HB3 LEU 13 HB1 LEU 13 0.995 -4.390 7.815 403 HG LEU 13 HG LEU 13 1.939 -1.930 9.300 404 HD11 LEU 13 HD11 LEU 13 -0.367 -1.041 8.624 405 HD12 LEU 13 HD12 LEU 13 -0.382 -2.309 7.398 406 HD13 LEU 13 HD13 LEU 13 0.861 -1.059 7.358 407 HD21 LEU 13 HD21 LEU 13 0.978 -3.553 10.771 408 HD22 LEU 13 HD22 LEU 13 -0.311 -3.929 9.628 409 HD23 LEU 13 HD23 LEU 13 -0.300 -2.376 10.464 410 H LYS 14 HN LYS 14 4.239 -4.533 6.704 411 HA LYS 14 HA LYS 14 3.640 -7.140 5.885 412 HB2 LYS 14 HB2 LYS 14 5.909 -5.264 5.290 413 HB3 LYS 14 HB1 LYS 14 5.932 -6.914 4.667 414 HG2 LYS 14 HG2 LYS 14 3.530 -5.118 4.307 415 HG3 LYS 14 HG1 LYS 14 4.868 -5.122 3.156 416 HD2 LYS 14 HD2 LYS 14 4.586 -7.590 2.894 417 HD3 LYS 14 HD1 LYS 14 3.179 -7.513 3.952 418 HE2 LYS 14 HE2 LYS 14 2.340 -7.447 1.710 419 HE3 LYS 14 HE1 LYS 14 2.203 -5.807 2.340 420 HZ1 LYS 14 HZ1 LYS 14 4.416 -5.374 1.295 421 HZ2 LYS 14 HZ2 LYS 14 3.153 -5.658 0.196 422 HZ3 LYS 14 HZ3 LYS 14 4.287 -6.878 0.525 423 H SER 15 HN SER 15 6.388 -5.926 7.787 424 HA SER 15 HA SER 15 7.750 -8.355 8.082 425 HB2 SER 15 HB2 SER 15 8.827 -7.335 10.024 426 HB3 SER 15 HB1 SER 15 8.705 -6.162 8.717 427 HG SER 15 HG SER 15 8.038 -5.426 10.858 428 H PHE 16 HN PHE 16 5.243 -6.861 10.116 429 HA PHE 16 HA PHE 16 5.134 -8.815 12.118 430 HB2 PHE 16 HB2 PHE 16 4.002 -6.656 12.313 431 HB3 PHE 16 HB1 PHE 16 2.916 -7.086 10.993 432 HD1 PHE 16 HD1 PHE 16 3.982 -8.078 14.427 433 HD2 PHE 16 HD2 PHE 16 0.964 -8.368 11.385 434 HE1 PHE 16 HE1 PHE 16 2.460 -9.184 16.043 435 HE2 PHE 16 HE2 PHE 16 -0.558 -9.473 13.002 436 HZ PHE 16 HZ PHE 16 0.189 -9.881 15.330 437 H GLN 17 HN GLN 17 3.312 -8.563 9.073 438 HA GLN 17 HA GLN 17 1.712 -10.839 9.379 439 HB2 GLN 17 HB2 GLN 17 1.653 -8.993 7.559 440 HB3 GLN 17 HB1 GLN 17 2.819 -10.008 6.709 441 HG2 GLN 17 HG2 GLN 17 0.269 -11.185 7.795 442 HG3 GLN 17 HG1 GLN 17 0.288 -10.374 6.230 443 HE21 GLN 17 HE21 GLN 17 -0.054 -13.318 6.861 444 HE22 GLN 17 HE22 GLN 17 1.167 -14.097 5.977 445 H1 ALA 1 HT1 ALA 1 -8.791 -14.473 6.082 446 H2 ALA 1 HT2 ALA 1 -8.614 -12.797 6.290 447 H3 ALA 1 HT3 ALA 1 -7.629 -13.873 7.161 448 HA ALA 1 HA ALA 1 -6.626 -14.641 5.081 449 HB1 ALA 1 HB1 ALA 1 -7.092 -13.389 3.027 450 HB2 ALA 1 HB2 ALA 1 -8.243 -12.367 3.889 451 HB3 ALA 1 HB3 ALA 1 -8.588 -14.081 3.655 452 H THR 2 HN THR 2 -4.634 -13.713 4.581 453 HA THR 2 HA THR 2 -3.693 -11.691 6.336 454 HB THR 2 HB THR 2 -1.601 -11.851 5.041 455 HG1 THR 2 HG1 THR 2 -1.640 -13.349 3.262 456 HG21 THR 2 HG21 THR 2 -1.216 -14.266 5.382 457 HG22 THR 2 HG22 THR 2 -2.955 -14.521 5.520 458 HG23 THR 2 HG23 THR 2 -2.105 -13.565 6.734 459 H LEU 3 HN LEU 3 -4.648 -11.683 2.929 460 HA LEU 3 HA LEU 3 -3.786 -9.112 2.232 461 HB2 LEU 3 HB2 LEU 3 -6.154 -10.736 1.280 462 HB3 LEU 3 HB1 LEU 3 -5.643 -9.225 0.528 463 HG LEU 3 HG LEU 3 -3.784 -11.583 0.912 464 HD11 LEU 3 HD11 LEU 3 -5.426 -10.796 -1.516 465 HD12 LEU 3 HD12 LEU 3 -5.640 -12.256 -0.549 466 HD13 LEU 3 HD13 LEU 3 -4.171 -12.035 -1.500 467 HD21 LEU 3 HD21 LEU 3 -3.692 -9.030 -0.719 468 HD22 LEU 3 HD22 LEU 3 -2.557 -10.361 -0.938 469 HD23 LEU 3 HD23 LEU 3 -2.613 -9.494 0.596 470 H GLU 4 HN GLU 4 -6.899 -10.187 3.586 471 HA GLU 4 HA GLU 4 -8.190 -7.704 3.625 472 HB2 GLU 4 HB2 GLU 4 -9.341 -9.837 4.055 473 HB3 GLU 4 HB1 GLU 4 -8.477 -9.994 5.585 474 HG2 GLU 4 HG2 GLU 4 -9.488 -7.908 6.393 475 HG3 GLU 4 HG1 GLU 4 -10.326 -7.706 4.855 476 H LYS 5 HN LYS 5 -6.191 -9.273 6.117 477 HA LYS 5 HA LYS 5 -6.421 -7.311 8.099 478 HB2 LYS 5 HB2 LYS 5 -5.420 -9.520 8.498 479 HB3 LYS 5 HB1 LYS 5 -4.049 -9.087 7.476 480 HG2 LYS 5 HG2 LYS 5 -3.478 -7.240 8.992 481 HG3 LYS 5 HG1 LYS 5 -4.869 -7.630 10.006 482 HD2 LYS 5 HD2 LYS 5 -3.933 -9.843 10.486 483 HD3 LYS 5 HD1 LYS 5 -2.564 -9.512 9.424 484 HE2 LYS 5 HE2 LYS 5 -1.930 -9.116 11.759 485 HE3 LYS 5 HE1 LYS 5 -1.930 -7.595 10.867 486 HZ1 LYS 5 HZ1 LYS 5 -3.098 -7.718 13.145 487 HZ2 LYS 5 HZ2 LYS 5 -4.354 -8.477 12.288 488 HZ3 LYS 5 HZ3 LYS 5 -3.867 -6.903 11.872 489 H LEU 6 HN LEU 6 -4.023 -7.644 5.490 490 HA LEU 6 HA LEU 6 -2.440 -5.426 6.127 491 HB2 LEU 6 HB2 LEU 6 -1.756 -7.090 4.471 492 HB3 LEU 6 HB1 LEU 6 -3.075 -6.600 3.408 493 HG LEU 6 HG LEU 6 -2.108 -4.322 3.274 494 HD11 LEU 6 HD11 LEU 6 -0.973 -4.121 5.373 495 HD12 LEU 6 HD12 LEU 6 0.283 -4.094 4.136 496 HD13 LEU 6 HD13 LEU 6 -0.008 -5.564 5.065 497 HD21 LEU 6 HD21 LEU 6 -0.092 -4.944 1.954 498 HD22 LEU 6 HD22 LEU 6 -1.469 -5.981 1.584 499 HD23 LEU 6 HD23 LEU 6 -0.176 -6.572 2.627 500 H MET 7 HN MET 7 -5.280 -5.665 3.996 501 HA MET 7 HA MET 7 -5.333 -3.006 3.130 502 HB2 MET 7 HB2 MET 7 -7.444 -5.117 3.442 503 HB3 MET 7 HB1 MET 7 -7.885 -3.481 2.951 504 HG2 MET 7 HG2 MET 7 -5.680 -5.007 1.563 505 HG3 MET 7 HG1 MET 7 -7.366 -5.161 1.068 506 HE1 MET 7 HE1 MET 7 -4.326 -2.492 -0.253 507 HE2 MET 7 HE2 MET 7 -4.260 -3.651 1.071 508 HE3 MET 7 HE3 MET 7 -4.500 -1.942 1.418 509 H LYS 8 HN LYS 8 -6.908 -4.513 5.937 510 HA LYS 8 HA LYS 8 -8.258 -2.253 6.887 511 HB2 LYS 8 HB2 LYS 8 -8.654 -4.515 7.762 512 HB3 LYS 8 HB1 LYS 8 -7.041 -4.526 8.475 513 HG2 LYS 8 HG2 LYS 8 -7.604 -2.692 9.947 514 HG3 LYS 8 HG1 LYS 8 -9.154 -2.458 9.137 515 HD2 LYS 8 HD2 LYS 8 -9.604 -3.688 11.153 516 HD3 LYS 8 HD1 LYS 8 -9.749 -4.828 9.815 517 HE2 LYS 8 HE2 LYS 8 -8.448 -5.859 11.600 518 HE3 LYS 8 HE1 LYS 8 -7.391 -5.546 10.224 519 HZ1 LYS 8 HZ1 LYS 8 -6.485 -3.668 11.274 520 HZ2 LYS 8 HZ2 LYS 8 -6.523 -4.872 12.471 521 HZ3 LYS 8 HZ3 LYS 8 -7.690 -3.638 12.467 522 H ALA 9 HN ALA 9 -4.993 -3.448 7.648 523 HA ALA 9 HA ALA 9 -4.290 -1.497 9.530 524 HB1 ALA 9 HB1 ALA 9 -3.013 -3.610 8.928 525 HB2 ALA 9 HB2 ALA 9 -2.031 -2.166 9.174 526 HB3 ALA 9 HB3 ALA 9 -2.383 -2.726 7.538 527 H PHE 10 HN PHE 10 -3.840 -1.527 5.999 528 HA PHE 10 HA PHE 10 -2.500 0.920 5.752 529 HB2 PHE 10 HB2 PHE 10 -2.747 -0.722 3.921 530 HB3 PHE 10 HB1 PHE 10 -4.464 -0.336 3.820 531 HD1 PHE 10 HD1 PHE 10 -1.041 1.048 3.423 532 HD2 PHE 10 HD2 PHE 10 -5.236 1.640 2.716 533 HE1 PHE 10 HE1 PHE 10 -0.520 2.965 1.939 534 HE2 PHE 10 HE2 PHE 10 -4.715 3.558 1.233 535 HZ PHE 10 HZ PHE 10 -2.357 4.219 0.844 536 H GLU 11 HN GLU 11 -5.988 0.208 5.651 537 HA GLU 11 HA GLU 11 -6.904 2.808 5.156 538 HB2 GLU 11 HB2 GLU 11 -8.160 0.513 6.673 539 HB3 GLU 11 HB1 GLU 11 -9.013 2.011 6.301 540 HG2 GLU 11 HG2 GLU 11 -7.749 0.154 4.264 541 HG3 GLU 11 HG1 GLU 11 -9.475 0.280 4.601 542 H SER 12 HN SER 12 -6.319 1.147 8.250 543 HA SER 12 HA SER 12 -7.148 3.205 9.962 544 HB2 SER 12 HB2 SER 12 -6.650 0.936 10.760 545 HB3 SER 12 HB1 SER 12 -4.946 1.164 10.376 546 HG SER 12 HG SER 12 -4.729 2.454 12.060 547 H LEU 13 HN LEU 13 -3.935 2.512 8.590 548 HA LEU 13 HA LEU 13 -2.518 4.593 9.819 549 HB2 LEU 13 HB2 LEU 13 -2.158 3.253 7.131 550 HB3 LEU 13 HB1 LEU 13 -0.995 4.390 7.815 551 HG LEU 13 HG LEU 13 -1.939 1.930 9.300 552 HD11 LEU 13 HD11 LEU 13 0.367 1.041 8.624 553 HD12 LEU 13 HD12 LEU 13 0.382 2.309 7.398 554 HD13 LEU 13 HD13 LEU 13 -0.861 1.059 7.358 555 HD21 LEU 13 HD21 LEU 13 -0.978 3.553 10.771 556 HD22 LEU 13 HD22 LEU 13 0.311 3.929 9.628 557 HD23 LEU 13 HD23 LEU 13 0.300 2.376 10.464 558 H LYS 14 HN LYS 14 -4.239 4.533 6.704 559 HA LYS 14 HA LYS 14 -3.640 7.140 5.885 560 HB2 LYS 14 HB2 LYS 14 -5.909 5.264 5.290 561 HB3 LYS 14 HB1 LYS 14 -5.932 6.914 4.667 562 HG2 LYS 14 HG2 LYS 14 -3.530 5.118 4.307 563 HG3 LYS 14 HG1 LYS 14 -4.868 5.122 3.156 564 HD2 LYS 14 HD2 LYS 14 -4.586 7.590 2.894 565 HD3 LYS 14 HD1 LYS 14 -3.179 7.513 3.952 566 HE2 LYS 14 HE2 LYS 14 -2.340 7.447 1.710 567 HE3 LYS 14 HE1 LYS 14 -2.203 5.807 2.340 568 HZ1 LYS 14 HZ1 LYS 14 -4.416 5.374 1.295 569 HZ2 LYS 14 HZ2 LYS 14 -3.153 5.658 0.196 570 HZ3 LYS 14 HZ3 LYS 14 -4.287 6.878 0.525 571 H SER 15 HN SER 15 -6.388 5.926 7.787 572 HA SER 15 HA SER 15 -7.759 8.350 8.086 573 HB2 SER 15 HB2 SER 15 -7.558 5.980 9.959 574 HB3 SER 15 HB1 SER 15 -8.704 7.303 10.156 575 HG SER 15 HG SER 15 -8.620 5.247 8.284 576 H PHE 16 HN PHE 16 -5.243 6.861 10.116 577 HA PHE 16 HA PHE 16 -5.138 8.819 12.114 578 HB2 PHE 16 HB2 PHE 16 -3.994 6.688 12.361 579 HB3 PHE 16 HB1 PHE 16 -2.925 7.072 11.012 580 HD1 PHE 16 HD1 PHE 16 -3.927 8.139 14.437 581 HD2 PHE 16 HD2 PHE 16 -0.987 8.419 11.318 582 HE1 PHE 16 HE1 PHE 16 -2.394 9.321 15.988 583 HE2 PHE 16 HE2 PHE 16 0.545 9.600 12.870 584 HZ PHE 16 HZ PHE 16 -0.158 10.051 15.203 585 H GLN 17 HN GLN 17 -3.312 8.563 9.073 586 HA GLN 17 HA GLN 17 -1.712 10.839 9.379 587 HB2 GLN 17 HB2 GLN 17 -1.653 8.993 7.559 588 HB3 GLN 17 HB1 GLN 17 -2.819 10.008 6.709 589 HG2 GLN 17 HG2 GLN 17 -0.269 11.185 7.795 590 HG3 GLN 17 HG1 GLN 17 -0.288 10.374 6.230 591 HE21 GLN 17 HE21 GLN 17 0.054 13.318 6.861 592 HE22 GLN 17 HE22 GLN 17 -1.167 14.097 5.977 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 12.174 -0.915 -1.860 2 H2 ALA 1 HT2 ALA 1 11.690 0.562 -1.174 3 H3 ALA 1 HT3 ALA 1 13.117 0.475 -2.093 4 HA ALA 1 HA ALA 1 11.925 0.102 -4.095 5 HB1 ALA 1 HB1 ALA 1 10.184 -1.344 -3.036 6 HB2 ALA 1 HB2 ALA 1 9.495 -0.125 -4.107 7 HB3 ALA 1 HB3 ALA 1 9.437 0.103 -2.359 8 H THR 2 HN THR 2 11.257 1.878 -5.311 9 HA THR 2 HA THR 2 11.758 4.430 -4.291 10 HB THR 2 HB THR 2 10.381 5.132 -6.405 11 HG1 THR 2 HG1 THR 2 9.494 2.872 -6.392 12 HG21 THR 2 HG21 THR 2 12.831 3.376 -6.703 13 HG22 THR 2 HG22 THR 2 12.874 5.057 -6.172 14 HG23 THR 2 HG23 THR 2 12.313 4.659 -7.796 15 H LEU 3 HN LEU 3 10.641 5.365 -2.695 16 HA LEU 3 HA LEU 3 8.007 4.786 -1.940 17 HB2 LEU 3 HB2 LEU 3 9.658 7.288 -1.515 18 HB3 LEU 3 HB1 LEU 3 8.130 6.956 -0.699 19 HG LEU 3 HG LEU 3 10.533 5.114 -0.592 20 HD11 LEU 3 HD11 LEU 3 10.699 5.987 1.781 21 HD12 LEU 3 HD12 LEU 3 9.569 7.259 1.318 22 HD13 LEU 3 HD13 LEU 3 11.145 7.152 0.535 23 HD21 LEU 3 HD21 LEU 3 9.219 4.255 1.419 24 HD22 LEU 3 HD22 LEU 3 8.509 3.906 -0.155 25 HD23 LEU 3 HD23 LEU 3 7.862 5.216 0.832 26 H GLU 4 HN GLU 4 9.275 7.435 -3.953 27 HA GLU 4 HA GLU 4 6.857 8.762 -4.427 28 HB2 GLU 4 HB2 GLU 4 9.337 8.486 -6.135 29 HB3 GLU 4 HB1 GLU 4 7.997 9.562 -6.533 30 HG2 GLU 4 HG2 GLU 4 9.570 9.638 -3.942 31 HG3 GLU 4 HG1 GLU 4 9.807 10.738 -5.299 32 H LYS 5 HN LYS 5 8.430 6.160 -6.278 33 HA LYS 5 HA LYS 5 6.559 5.965 -8.349 34 HB2 LYS 5 HB2 LYS 5 8.860 4.779 -8.014 35 HB3 LYS 5 HB1 LYS 5 7.900 3.527 -7.224 36 HG2 LYS 5 HG2 LYS 5 6.888 4.529 -9.838 37 HG3 LYS 5 HG1 LYS 5 8.348 3.540 -9.881 38 HD2 LYS 5 HD2 LYS 5 7.255 1.704 -8.818 39 HD3 LYS 5 HD1 LYS 5 5.873 2.699 -8.362 40 HE2 LYS 5 HE2 LYS 5 5.252 1.341 -10.281 41 HE3 LYS 5 HE1 LYS 5 5.367 3.025 -10.791 42 HZ1 LYS 5 HZ1 LYS 5 7.830 2.310 -11.269 43 HZ2 LYS 5 HZ2 LYS 5 6.598 2.032 -12.405 44 HZ3 LYS 5 HZ3 LYS 5 7.131 0.771 -11.399 45 H LEU 6 HN LEU 6 6.683 4.268 -5.223 46 HA LEU 6 HA LEU 6 4.419 2.655 -5.565 47 HB2 LEU 6 HB2 LEU 6 5.983 2.339 -3.712 48 HB3 LEU 6 HB1 LEU 6 5.507 3.892 -3.025 49 HG LEU 6 HG LEU 6 3.264 2.059 -3.602 50 HD11 LEU 6 HD11 LEU 6 4.925 0.431 -2.816 51 HD12 LEU 6 HD12 LEU 6 3.697 0.691 -1.576 52 HD13 LEU 6 HD13 LEU 6 5.282 1.449 -1.420 53 HD21 LEU 6 HD21 LEU 6 4.156 3.834 -1.316 54 HD22 LEU 6 HD22 LEU 6 2.711 2.827 -1.227 55 HD23 LEU 6 HD23 LEU 6 2.821 4.106 -2.436 56 H MET 7 HN MET 7 4.704 5.919 -4.178 57 HA MET 7 HA MET 7 2.020 6.284 -3.473 58 HB2 MET 7 HB2 MET 7 3.897 7.794 -2.834 59 HB3 MET 7 HB1 MET 7 3.929 8.400 -4.490 60 HG2 MET 7 HG2 MET 7 2.581 9.938 -3.239 61 HG3 MET 7 HG1 MET 7 1.464 8.970 -4.202 62 HE1 MET 7 HE1 MET 7 -0.810 9.036 -2.733 63 HE2 MET 7 HE2 MET 7 -0.858 7.454 -1.959 64 HE3 MET 7 HE3 MET 7 -0.161 7.618 -3.569 65 H LYS 8 HN LYS 8 3.703 7.060 -6.510 66 HA LYS 8 HA LYS 8 1.544 8.212 -7.869 67 HB2 LYS 8 HB2 LYS 8 3.941 6.666 -8.865 68 HB3 LYS 8 HB1 LYS 8 2.783 7.441 -9.947 69 HG2 LYS 8 HG2 LYS 8 3.245 9.616 -8.980 70 HG3 LYS 8 HG1 LYS 8 4.267 8.892 -7.738 71 HD2 LYS 8 HD2 LYS 8 5.711 9.787 -9.465 72 HD3 LYS 8 HD1 LYS 8 5.761 8.027 -9.569 73 HE2 LYS 8 HE2 LYS 8 4.135 8.058 -11.398 74 HE3 LYS 8 HE1 LYS 8 3.989 9.810 -11.266 75 HZ1 LYS 8 HZ1 LYS 8 6.569 9.680 -11.569 76 HZ2 LYS 8 HZ2 LYS 8 5.532 9.640 -12.915 77 HZ3 LYS 8 HZ3 LYS 8 6.203 8.200 -12.312 78 H ALA 9 HN ALA 9 2.621 4.821 -7.755 79 HA ALA 9 HA ALA 9 0.718 3.746 -9.504 80 HB1 ALA 9 HB1 ALA 9 2.174 2.573 -7.135 81 HB2 ALA 9 HB2 ALA 9 2.527 2.354 -8.849 82 HB3 ALA 9 HB3 ALA 9 1.088 1.618 -8.145 83 H PHE 10 HN PHE 10 0.587 4.174 -5.973 84 HA PHE 10 HA PHE 10 -1.925 3.020 -5.534 85 HB2 PHE 10 HB2 PHE 10 -0.282 3.696 -3.766 86 HB3 PHE 10 HB1 PHE 10 -0.753 5.374 -4.040 87 HD1 PHE 10 HD1 PHE 10 -2.492 2.068 -3.632 88 HD2 PHE 10 HD2 PHE 10 -2.307 6.216 -2.534 89 HE1 PHE 10 HE1 PHE 10 -4.444 1.758 -2.136 90 HE2 PHE 10 HE2 PHE 10 -4.261 5.907 -1.040 91 HZ PHE 10 HZ PHE 10 -5.329 3.678 -0.840 92 H GLU 11 HN GLU 11 -1.062 6.399 -6.243 93 HA GLU 11 HA GLU 11 -3.635 7.497 -6.112 94 HB2 GLU 11 HB2 GLU 11 -1.221 8.264 -7.761 95 HB3 GLU 11 HB1 GLU 11 -2.697 9.229 -7.705 96 HG2 GLU 11 HG2 GLU 11 -2.480 9.534 -5.312 97 HG3 GLU 11 HG1 GLU 11 -1.117 8.417 -5.251 98 H SER 12 HN SER 12 -1.882 6.115 -8.887 99 HA SER 12 HA SER 12 -3.838 6.572 -10.838 100 HB2 SER 12 HB2 SER 12 -2.752 4.801 -12.123 101 HB3 SER 12 HB1 SER 12 -1.540 5.822 -11.357 102 HG SER 12 HG SER 12 -1.108 4.252 -9.925 103 H LEU 13 HN LEU 13 -3.338 3.769 -8.704 104 HA LEU 13 HA LEU 13 -5.433 2.170 -9.655 105 HB2 LEU 13 HB2 LEU 13 -3.742 1.316 -8.115 106 HB3 LEU 13 HB1 LEU 13 -4.319 2.399 -6.848 107 HG LEU 13 HG LEU 13 -6.403 0.698 -8.074 108 HD11 LEU 13 HD11 LEU 13 -4.567 -0.915 -8.033 109 HD12 LEU 13 HD12 LEU 13 -5.702 -1.287 -6.736 110 HD13 LEU 13 HD13 LEU 13 -4.182 -0.471 -6.370 111 HD21 LEU 13 HD21 LEU 13 -5.559 1.534 -5.288 112 HD22 LEU 13 HD22 LEU 13 -6.874 0.394 -5.574 113 HD23 LEU 13 HD23 LEU 13 -6.990 2.044 -6.184 114 H LYS 14 HN LYS 14 -5.415 4.595 -7.050 115 HA LYS 14 HA LYS 14 -8.076 4.310 -6.228 116 HB2 LYS 14 HB2 LYS 14 -6.218 6.688 -6.215 117 HB3 LYS 14 HB1 LYS 14 -7.840 6.750 -5.527 118 HG2 LYS 14 HG2 LYS 14 -7.219 4.730 -4.132 119 HG3 LYS 14 HG1 LYS 14 -5.559 4.946 -4.690 120 HD2 LYS 14 HD2 LYS 14 -7.160 7.133 -3.339 121 HD3 LYS 14 HD1 LYS 14 -6.065 6.056 -2.474 122 HE2 LYS 14 HE2 LYS 14 -4.212 6.787 -3.972 123 HE3 LYS 14 HE1 LYS 14 -5.319 7.921 -4.746 124 HZ1 LYS 14 HZ1 LYS 14 -5.586 9.103 -2.731 125 HZ2 LYS 14 HZ2 LYS 14 -3.914 8.878 -2.939 126 HZ3 LYS 14 HZ3 LYS 14 -4.773 7.916 -1.833 127 H SER 15 HN SER 15 -6.666 6.458 -8.689 128 HA SER 15 HA SER 15 -9.014 7.796 -9.433 129 HB2 SER 15 HB2 SER 15 -6.584 7.062 -11.082 130 HB3 SER 15 HB1 SER 15 -7.846 8.168 -11.616 131 HG SER 15 HG SER 15 -7.382 9.333 -9.601 132 H PHE 16 HN PHE 16 -7.561 4.811 -10.714 133 HA PHE 16 HA PHE 16 -9.437 4.282 -12.722 134 HB2 PHE 16 HB2 PHE 16 -7.363 3.042 -12.593 135 HB3 PHE 16 HB1 PHE 16 -7.808 2.385 -11.018 136 HD1 PHE 16 HD1 PHE 16 -8.841 2.484 -14.604 137 HD2 PHE 16 HD2 PHE 16 -9.119 0.425 -10.845 138 HE1 PHE 16 HE1 PHE 16 -10.016 0.606 -15.719 139 HE2 PHE 16 HE2 PHE 16 -10.293 -1.453 -11.960 140 HZ PHE 16 HZ PHE 16 -10.742 -1.363 -14.397 141 H GLN 17 HN GLN 17 -9.386 3.251 -9.318 142 HA GLN 17 HA GLN 17 -11.719 1.704 -9.336 143 HB2 GLN 17 HB2 GLN 17 -10.290 3.261 -7.197 144 HB3 GLN 17 HB1 GLN 17 -11.813 2.444 -6.847 145 HG2 GLN 17 HG2 GLN 17 -9.392 1.089 -8.066 146 HG3 GLN 17 HG1 GLN 17 -9.804 1.032 -6.353 147 HE21 GLN 17 HE21 GLN 17 -10.068 -0.787 -9.102 148 HE22 GLN 17 HE22 GLN 17 -11.492 -1.641 -8.744 149 H1 ALA 1 HT1 ALA 1 -12.174 0.915 -1.860 150 H2 ALA 1 HT2 ALA 1 -11.690 -0.562 -1.174 151 H3 ALA 1 HT3 ALA 1 -13.117 -0.475 -2.093 152 HA ALA 1 HA ALA 1 -11.925 -0.102 -4.095 153 HB1 ALA 1 HB1 ALA 1 -10.184 1.344 -3.036 154 HB2 ALA 1 HB2 ALA 1 -9.495 0.125 -4.107 155 HB3 ALA 1 HB3 ALA 1 -9.437 -0.103 -2.359 156 H THR 2 HN THR 2 -11.257 -1.878 -5.311 157 HA THR 2 HA THR 2 -11.758 -4.430 -4.291 158 HB THR 2 HB THR 2 -10.382 -5.132 -6.404 159 HG1 THR 2 HG1 THR 2 -9.498 -2.869 -6.391 160 HG21 THR 2 HG21 THR 2 -12.846 -3.387 -6.662 161 HG22 THR 2 HG22 THR 2 -12.862 -5.088 -6.198 162 HG23 THR 2 HG23 THR 2 -12.313 -4.618 -7.807 163 H LEU 3 HN LEU 3 -10.641 -5.365 -2.695 164 HA LEU 3 HA LEU 3 -8.007 -4.786 -1.940 165 HB2 LEU 3 HB2 LEU 3 -9.658 -7.288 -1.515 166 HB3 LEU 3 HB1 LEU 3 -8.130 -6.956 -0.699 167 HG LEU 3 HG LEU 3 -10.533 -5.114 -0.592 168 HD11 LEU 3 HD11 LEU 3 -10.699 -5.987 1.781 169 HD12 LEU 3 HD12 LEU 3 -9.569 -7.259 1.318 170 HD13 LEU 3 HD13 LEU 3 -11.145 -7.152 0.535 171 HD21 LEU 3 HD21 LEU 3 -9.219 -4.255 1.419 172 HD22 LEU 3 HD22 LEU 3 -8.509 -3.906 -0.155 173 HD23 LEU 3 HD23 LEU 3 -7.862 -5.216 0.832 174 H GLU 4 HN GLU 4 -9.275 -7.435 -3.953 175 HA GLU 4 HA GLU 4 -6.857 -8.762 -4.427 176 HB2 GLU 4 HB2 GLU 4 -9.337 -8.486 -6.135 177 HB3 GLU 4 HB1 GLU 4 -7.997 -9.562 -6.533 178 HG2 GLU 4 HG2 GLU 4 -9.570 -9.638 -3.942 179 HG3 GLU 4 HG1 GLU 4 -9.807 -10.738 -5.299 180 H LYS 5 HN LYS 5 -8.430 -6.160 -6.278 181 HA LYS 5 HA LYS 5 -6.558 -5.965 -8.349 182 HB2 LYS 5 HB2 LYS 5 -8.859 -4.781 -8.022 183 HB3 LYS 5 HB1 LYS 5 -7.906 -3.532 -7.220 184 HG2 LYS 5 HG2 LYS 5 -6.872 -4.515 -9.830 185 HG3 LYS 5 HG1 LYS 5 -8.338 -3.535 -9.881 186 HD2 LYS 5 HD2 LYS 5 -7.267 -1.695 -8.807 187 HD3 LYS 5 HD1 LYS 5 -5.883 -2.682 -8.338 188 HE2 LYS 5 HE2 LYS 5 -5.258 -1.312 -10.251 189 HE3 LYS 5 HE1 LYS 5 -5.343 -2.998 -10.758 190 HZ1 LYS 5 HZ1 LYS 5 -7.765 -2.405 -11.341 191 HZ2 LYS 5 HZ2 LYS 5 -6.524 -1.915 -12.392 192 HZ3 LYS 5 HZ3 LYS 5 -7.220 -0.800 -11.316 193 H LEU 6 HN LEU 6 -6.683 -4.268 -5.223 194 HA LEU 6 HA LEU 6 -4.419 -2.655 -5.565 195 HB2 LEU 6 HB2 LEU 6 -5.983 -2.339 -3.712 196 HB3 LEU 6 HB1 LEU 6 -5.507 -3.892 -3.025 197 HG LEU 6 HG LEU 6 -3.264 -2.059 -3.602 198 HD11 LEU 6 HD11 LEU 6 -4.925 -0.431 -2.816 199 HD12 LEU 6 HD12 LEU 6 -3.697 -0.691 -1.576 200 HD13 LEU 6 HD13 LEU 6 -5.282 -1.449 -1.420 201 HD21 LEU 6 HD21 LEU 6 -4.156 -3.834 -1.316 202 HD22 LEU 6 HD22 LEU 6 -2.711 -2.827 -1.227 203 HD23 LEU 6 HD23 LEU 6 -2.821 -4.106 -2.436 204 H MET 7 HN MET 7 -4.704 -5.919 -4.178 205 HA MET 7 HA MET 7 -2.020 -6.284 -3.473 206 HB2 MET 7 HB2 MET 7 -3.897 -7.794 -2.834 207 HB3 MET 7 HB1 MET 7 -3.929 -8.400 -4.490 208 HG2 MET 7 HG2 MET 7 -2.581 -9.938 -3.239 209 HG3 MET 7 HG1 MET 7 -1.464 -8.970 -4.202 210 HE1 MET 7 HE1 MET 7 0.810 -9.036 -2.733 211 HE2 MET 7 HE2 MET 7 0.858 -7.454 -1.959 212 HE3 MET 7 HE3 MET 7 0.161 -7.618 -3.569 213 H LYS 8 HN LYS 8 -3.703 -7.060 -6.510 214 HA LYS 8 HA LYS 8 -1.544 -8.212 -7.869 215 HB2 LYS 8 HB2 LYS 8 -3.941 -6.666 -8.865 216 HB3 LYS 8 HB1 LYS 8 -2.783 -7.441 -9.947 217 HG2 LYS 8 HG2 LYS 8 -3.245 -9.616 -8.980 218 HG3 LYS 8 HG1 LYS 8 -4.267 -8.892 -7.738 219 HD2 LYS 8 HD2 LYS 8 -5.711 -9.787 -9.465 220 HD3 LYS 8 HD1 LYS 8 -5.761 -8.027 -9.569 221 HE2 LYS 8 HE2 LYS 8 -4.135 -8.058 -11.398 222 HE3 LYS 8 HE1 LYS 8 -3.989 -9.810 -11.266 223 HZ1 LYS 8 HZ1 LYS 8 -6.569 -9.680 -11.569 224 HZ2 LYS 8 HZ2 LYS 8 -5.532 -9.640 -12.915 225 HZ3 LYS 8 HZ3 LYS 8 -6.203 -8.200 -12.312 226 H ALA 9 HN ALA 9 -2.621 -4.821 -7.755 227 HA ALA 9 HA ALA 9 -0.718 -3.746 -9.504 228 HB1 ALA 9 HB1 ALA 9 -2.174 -2.573 -7.136 229 HB2 ALA 9 HB2 ALA 9 -2.527 -2.354 -8.850 230 HB3 ALA 9 HB3 ALA 9 -1.088 -1.618 -8.145 231 H PHE 10 HN PHE 10 -0.587 -4.174 -5.973 232 HA PHE 10 HA PHE 10 1.925 -3.020 -5.534 233 HB2 PHE 10 HB2 PHE 10 0.282 -3.696 -3.766 234 HB3 PHE 10 HB1 PHE 10 0.753 -5.374 -4.040 235 HD1 PHE 10 HD1 PHE 10 2.492 -2.068 -3.632 236 HD2 PHE 10 HD2 PHE 10 2.307 -6.216 -2.534 237 HE1 PHE 10 HE1 PHE 10 4.444 -1.758 -2.136 238 HE2 PHE 10 HE2 PHE 10 4.261 -5.907 -1.040 239 HZ PHE 10 HZ PHE 10 5.329 -3.678 -0.840 240 H GLU 11 HN GLU 11 1.062 -6.399 -6.243 241 HA GLU 11 HA GLU 11 3.635 -7.497 -6.112 242 HB2 GLU 11 HB2 GLU 11 1.221 -8.264 -7.761 243 HB3 GLU 11 HB1 GLU 11 2.697 -9.229 -7.705 244 HG2 GLU 11 HG2 GLU 11 2.480 -9.534 -5.312 245 HG3 GLU 11 HG1 GLU 11 1.117 -8.417 -5.251 246 H SER 12 HN SER 12 1.882 -6.115 -8.887 247 HA SER 12 HA SER 12 3.828 -6.569 -10.851 248 HB2 SER 12 HB2 SER 12 1.551 -5.805 -11.379 249 HB3 SER 12 HB1 SER 12 1.881 -4.259 -10.603 250 HG SER 12 HG SER 12 3.406 -5.319 -12.748 251 H LEU 13 HN LEU 13 3.338 -3.769 -8.704 252 HA LEU 13 HA LEU 13 5.433 -2.171 -9.655 253 HB2 LEU 13 HB2 LEU 13 3.751 -1.304 -8.121 254 HB3 LEU 13 HB1 LEU 13 4.304 -2.399 -6.854 255 HG LEU 13 HG LEU 13 6.435 -0.738 -8.038 256 HD11 LEU 13 HD11 LEU 13 4.617 0.904 -8.073 257 HD12 LEU 13 HD12 LEU 13 5.737 1.285 -6.766 258 HD13 LEU 13 HD13 LEU 13 4.197 0.504 -6.408 259 HD21 LEU 13 HD21 LEU 13 5.563 -1.066 -5.156 260 HD22 LEU 13 HD22 LEU 13 7.166 -0.641 -5.758 261 HD23 LEU 13 HD23 LEU 13 6.539 -2.273 -5.994 262 H LYS 14 HN LYS 14 5.415 -4.595 -7.050 263 HA LYS 14 HA LYS 14 8.076 -4.310 -6.228 264 HB2 LYS 14 HB2 LYS 14 6.218 -6.688 -6.215 265 HB3 LYS 14 HB1 LYS 14 7.840 -6.750 -5.527 266 HG2 LYS 14 HG2 LYS 14 7.219 -4.730 -4.132 267 HG3 LYS 14 HG1 LYS 14 5.559 -4.946 -4.690 268 HD2 LYS 14 HD2 LYS 14 7.160 -7.133 -3.339 269 HD3 LYS 14 HD1 LYS 14 6.065 -6.056 -2.474 270 HE2 LYS 14 HE2 LYS 14 4.212 -6.787 -3.972 271 HE3 LYS 14 HE1 LYS 14 5.319 -7.921 -4.746 272 HZ1 LYS 14 HZ1 LYS 14 5.586 -9.103 -2.731 273 HZ2 LYS 14 HZ2 LYS 14 3.914 -8.878 -2.939 274 HZ3 LYS 14 HZ3 LYS 14 4.773 -7.916 -1.833 275 H SER 15 HN SER 15 6.666 -6.458 -8.689 276 HA SER 15 HA SER 15 9.020 -7.787 -9.426 277 HB2 SER 15 HB2 SER 15 7.878 -8.325 -11.518 278 HB3 SER 15 HB1 SER 15 6.765 -8.489 -10.164 279 HG SER 15 HG SER 15 6.942 -6.463 -12.117 280 H PHE 16 HN PHE 16 7.561 -4.811 -10.714 281 HA PHE 16 HA PHE 16 9.439 -4.285 -12.721 282 HB2 PHE 16 HB2 PHE 16 7.387 -3.025 -12.626 283 HB3 PHE 16 HB1 PHE 16 7.792 -2.393 -11.030 284 HD1 PHE 16 HD1 PHE 16 8.925 -2.446 -14.587 285 HD2 PHE 16 HD2 PHE 16 9.115 -0.445 -10.790 286 HE1 PHE 16 HE1 PHE 16 10.153 -0.566 -15.639 287 HE2 PHE 16 HE2 PHE 16 10.344 1.435 -11.842 288 HZ PHE 16 HZ PHE 16 10.864 1.374 -14.266 289 H GLN 17 HN GLN 17 9.386 -3.251 -9.318 290 HA GLN 17 HA GLN 17 11.719 -1.704 -9.334 291 HB2 GLN 17 HB2 GLN 17 10.123 -3.119 -7.267 292 HB3 GLN 17 HB1 GLN 17 11.771 -2.671 -6.829 293 HG2 GLN 17 HG2 GLN 17 9.764 -0.746 -8.029 294 HG3 GLN 17 HG1 GLN 17 10.062 -0.901 -6.299 295 HE21 GLN 17 HE21 GLN 17 10.842 1.087 -8.771 296 HE22 GLN 17 HE22 GLN 17 12.412 1.543 -8.314 297 H1 ALA 1 HT1 ALA 1 -0.915 12.174 1.860 298 H2 ALA 1 HT2 ALA 1 0.562 11.690 1.174 299 H3 ALA 1 HT3 ALA 1 0.475 13.117 2.093 300 HA ALA 1 HA ALA 1 0.102 11.925 4.095 301 HB1 ALA 1 HB1 ALA 1 -1.344 10.184 3.036 302 HB2 ALA 1 HB2 ALA 1 -0.125 9.495 4.107 303 HB3 ALA 1 HB3 ALA 1 0.103 9.437 2.359 304 H THR 2 HN THR 2 1.878 11.257 5.311 305 HA THR 2 HA THR 2 4.430 11.758 4.291 306 HB THR 2 HB THR 2 5.131 10.379 6.405 307 HG1 THR 2 HG1 THR 2 2.851 9.512 6.381 308 HG21 THR 2 HG21 THR 2 3.379 12.832 6.703 309 HG22 THR 2 HG22 THR 2 5.060 12.872 6.171 310 HG23 THR 2 HG23 THR 2 4.662 12.312 7.795 311 H LEU 3 HN LEU 3 5.365 10.641 2.695 312 HA LEU 3 HA LEU 3 4.786 8.007 1.940 313 HB2 LEU 3 HB2 LEU 3 7.288 9.658 1.515 314 HB3 LEU 3 HB1 LEU 3 6.956 8.130 0.699 315 HG LEU 3 HG LEU 3 5.114 10.533 0.592 316 HD11 LEU 3 HD11 LEU 3 5.987 10.699 -1.781 317 HD12 LEU 3 HD12 LEU 3 7.259 9.569 -1.318 318 HD13 LEU 3 HD13 LEU 3 7.152 11.145 -0.535 319 HD21 LEU 3 HD21 LEU 3 4.255 9.219 -1.419 320 HD22 LEU 3 HD22 LEU 3 3.906 8.509 0.155 321 HD23 LEU 3 HD23 LEU 3 5.216 7.862 -0.832 322 H GLU 4 HN GLU 4 7.435 9.275 3.953 323 HA GLU 4 HA GLU 4 8.762 6.857 4.427 324 HB2 GLU 4 HB2 GLU 4 8.486 9.337 6.135 325 HB3 GLU 4 HB1 GLU 4 9.562 7.997 6.533 326 HG2 GLU 4 HG2 GLU 4 9.638 9.570 3.942 327 HG3 GLU 4 HG1 GLU 4 10.738 9.807 5.299 328 H LYS 5 HN LYS 5 6.160 8.430 6.278 329 HA LYS 5 HA LYS 5 5.965 6.559 8.349 330 HB2 LYS 5 HB2 LYS 5 4.788 8.853 8.056 331 HB3 LYS 5 HB1 LYS 5 3.550 7.934 7.199 332 HG2 LYS 5 HG2 LYS 5 4.454 6.829 9.809 333 HG3 LYS 5 HG1 LYS 5 3.485 8.302 9.868 334 HD2 LYS 5 HD2 LYS 5 1.739 7.227 8.510 335 HD3 LYS 5 HD1 LYS 5 2.709 5.757 8.413 336 HE2 LYS 5 HE2 LYS 5 1.026 5.517 10.174 337 HE3 LYS 5 HE1 LYS 5 2.635 5.574 10.892 338 HZ1 LYS 5 HZ1 LYS 5 2.333 7.806 11.524 339 HZ2 LYS 5 HZ2 LYS 5 0.900 7.009 11.970 340 HZ3 LYS 5 HZ3 LYS 5 0.937 7.979 10.575 341 H LEU 6 HN LEU 6 4.268 6.683 5.223 342 HA LEU 6 HA LEU 6 2.655 4.419 5.565 343 HB2 LEU 6 HB2 LEU 6 2.339 5.983 3.712 344 HB3 LEU 6 HB1 LEU 6 3.892 5.507 3.025 345 HG LEU 6 HG LEU 6 2.059 3.264 3.602 346 HD11 LEU 6 HD11 LEU 6 0.431 4.925 2.816 347 HD12 LEU 6 HD12 LEU 6 0.691 3.697 1.576 348 HD13 LEU 6 HD13 LEU 6 1.449 5.282 1.420 349 HD21 LEU 6 HD21 LEU 6 3.834 4.156 1.316 350 HD22 LEU 6 HD22 LEU 6 2.827 2.711 1.227 351 HD23 LEU 6 HD23 LEU 6 4.106 2.821 2.436 352 H MET 7 HN MET 7 5.919 4.704 4.178 353 HA MET 7 HA MET 7 6.284 2.020 3.473 354 HB2 MET 7 HB2 MET 7 7.794 3.897 2.834 355 HB3 MET 7 HB1 MET 7 8.400 3.929 4.490 356 HG2 MET 7 HG2 MET 7 9.938 2.581 3.239 357 HG3 MET 7 HG1 MET 7 8.970 1.464 4.202 358 HE1 MET 7 HE1 MET 7 9.036 -0.810 2.733 359 HE2 MET 7 HE2 MET 7 7.454 -0.858 1.959 360 HE3 MET 7 HE3 MET 7 7.618 -0.161 3.569 361 H LYS 8 HN LYS 8 7.060 3.703 6.510 362 HA LYS 8 HA LYS 8 8.212 1.544 7.869 363 HB2 LYS 8 HB2 LYS 8 6.666 3.941 8.865 364 HB3 LYS 8 HB1 LYS 8 7.441 2.783 9.947 365 HG2 LYS 8 HG2 LYS 8 9.616 3.245 8.980 366 HG3 LYS 8 HG1 LYS 8 8.892 4.267 7.738 367 HD2 LYS 8 HD2 LYS 8 9.787 5.711 9.465 368 HD3 LYS 8 HD1 LYS 8 8.027 5.761 9.569 369 HE2 LYS 8 HE2 LYS 8 8.058 4.135 11.398 370 HE3 LYS 8 HE1 LYS 8 9.810 3.989 11.266 371 HZ1 LYS 8 HZ1 LYS 8 9.680 6.569 11.569 372 HZ2 LYS 8 HZ2 LYS 8 9.640 5.532 12.915 373 HZ3 LYS 8 HZ3 LYS 8 8.200 6.203 12.312 374 H ALA 9 HN ALA 9 4.821 2.621 7.755 375 HA ALA 9 HA ALA 9 3.746 0.718 9.504 376 HB1 ALA 9 HB1 ALA 9 2.573 2.174 7.135 377 HB2 ALA 9 HB2 ALA 9 2.354 2.527 8.849 378 HB3 ALA 9 HB3 ALA 9 1.618 1.088 8.145 379 H PHE 10 HN PHE 10 4.174 0.587 5.973 380 HA PHE 10 HA PHE 10 3.020 -1.925 5.534 381 HB2 PHE 10 HB2 PHE 10 3.696 -0.282 3.766 382 HB3 PHE 10 HB1 PHE 10 5.374 -0.753 4.040 383 HD1 PHE 10 HD1 PHE 10 2.068 -2.492 3.632 384 HD2 PHE 10 HD2 PHE 10 6.216 -2.307 2.534 385 HE1 PHE 10 HE1 PHE 10 1.758 -4.444 2.136 386 HE2 PHE 10 HE2 PHE 10 5.907 -4.261 1.040 387 HZ PHE 10 HZ PHE 10 3.678 -5.329 0.840 388 H GLU 11 HN GLU 11 6.399 -1.062 6.243 389 HA GLU 11 HA GLU 11 7.497 -3.635 6.112 390 HB2 GLU 11 HB2 GLU 11 8.264 -1.221 7.761 391 HB3 GLU 11 HB1 GLU 11 9.229 -2.697 7.705 392 HG2 GLU 11 HG2 GLU 11 9.534 -2.480 5.312 393 HG3 GLU 11 HG1 GLU 11 8.417 -1.117 5.251 394 H SER 12 HN SER 12 6.115 -1.882 8.887 395 HA SER 12 HA SER 12 6.572 -3.838 10.838 396 HB2 SER 12 HB2 SER 12 4.801 -2.752 12.123 397 HB3 SER 12 HB1 SER 12 5.822 -1.540 11.357 398 HG SER 12 HG SER 12 4.252 -1.108 9.925 399 H LEU 13 HN LEU 13 3.769 -3.338 8.704 400 HA LEU 13 HA LEU 13 2.170 -5.433 9.655 401 HB2 LEU 13 HB2 LEU 13 1.316 -3.742 8.115 402 HB3 LEU 13 HB1 LEU 13 2.399 -4.318 6.848 403 HG LEU 13 HG LEU 13 0.697 -6.402 8.073 404 HD11 LEU 13 HD11 LEU 13 -0.897 -4.530 8.017 405 HD12 LEU 13 HD12 LEU 13 -1.296 -5.709 6.768 406 HD13 LEU 13 HD13 LEU 13 -0.477 -4.209 6.335 407 HD21 LEU 13 HD21 LEU 13 1.543 -5.562 5.290 408 HD22 LEU 13 HD22 LEU 13 0.397 -6.873 5.570 409 HD23 LEU 13 HD23 LEU 13 2.044 -6.995 6.188 410 H LYS 14 HN LYS 14 4.595 -5.415 7.050 411 HA LYS 14 HA LYS 14 4.310 -8.076 6.228 412 HB2 LYS 14 HB2 LYS 14 6.688 -6.218 6.215 413 HB3 LYS 14 HB1 LYS 14 6.750 -7.840 5.527 414 HG2 LYS 14 HG2 LYS 14 4.730 -7.219 4.132 415 HG3 LYS 14 HG1 LYS 14 4.946 -5.559 4.690 416 HD2 LYS 14 HD2 LYS 14 7.133 -7.160 3.339 417 HD3 LYS 14 HD1 LYS 14 6.056 -6.065 2.474 418 HE2 LYS 14 HE2 LYS 14 6.787 -4.212 3.972 419 HE3 LYS 14 HE1 LYS 14 7.921 -5.319 4.746 420 HZ1 LYS 14 HZ1 LYS 14 9.103 -5.586 2.731 421 HZ2 LYS 14 HZ2 LYS 14 8.878 -3.914 2.939 422 HZ3 LYS 14 HZ3 LYS 14 7.916 -4.773 1.833 423 H SER 15 HN SER 15 6.458 -6.666 8.689 424 HA SER 15 HA SER 15 7.796 -9.014 9.433 425 HB2 SER 15 HB2 SER 15 8.505 -6.787 10.189 426 HB3 SER 15 HB1 SER 15 7.038 -6.635 11.151 427 HG SER 15 HG SER 15 9.354 -7.908 11.718 428 H PHE 16 HN PHE 16 4.811 -7.561 10.714 429 HA PHE 16 HA PHE 16 4.295 -9.442 12.715 430 HB2 PHE 16 HB2 PHE 16 3.102 -7.266 12.414 431 HB3 PHE 16 HB1 PHE 16 2.238 -7.973 11.052 432 HD1 PHE 16 HD1 PHE 16 2.961 -10.441 13.546 433 HD2 PHE 16 HD2 PHE 16 0.237 -7.265 12.569 434 HE1 PHE 16 HE1 PHE 16 1.291 -11.391 15.109 435 HE2 PHE 16 HE2 PHE 16 -1.433 -8.220 14.130 436 HZ PHE 16 HZ PHE 16 -0.907 -10.282 15.401 437 H GLN 17 HN GLN 17 3.251 -9.386 9.318 438 HA GLN 17 HA GLN 17 1.705 -11.720 9.337 439 HB2 GLN 17 HB2 GLN 17 3.346 -10.462 7.130 440 HB3 GLN 17 HB1 GLN 17 2.240 -11.812 6.877 441 HG2 GLN 17 HG2 GLN 17 1.467 -9.121 8.039 442 HG3 GLN 17 HG1 GLN 17 1.159 -9.635 6.382 443 HE21 GLN 17 HE21 GLN 17 -0.547 -9.183 9.070 444 HE22 GLN 17 HE22 GLN 17 -1.616 -10.500 9.012 445 H1 ALA 1 HT1 ALA 1 0.915 -12.174 1.860 446 H2 ALA 1 HT2 ALA 1 -0.562 -11.690 1.174 447 H3 ALA 1 HT3 ALA 1 -0.475 -13.117 2.093 448 HA ALA 1 HA ALA 1 -0.102 -11.925 4.095 449 HB1 ALA 1 HB1 ALA 1 1.344 -10.184 3.036 450 HB2 ALA 1 HB2 ALA 1 0.125 -9.495 4.107 451 HB3 ALA 1 HB3 ALA 1 -0.103 -9.437 2.359 452 H THR 2 HN THR 2 -1.878 -11.257 5.311 453 HA THR 2 HA THR 2 -4.430 -11.758 4.291 454 HB THR 2 HB THR 2 -5.131 -10.378 6.405 455 HG1 THR 2 HG1 THR 2 -2.857 -9.507 6.386 456 HG21 THR 2 HG21 THR 2 -3.382 -12.833 6.703 457 HG22 THR 2 HG22 THR 2 -5.062 -12.871 6.170 458 HG23 THR 2 HG23 THR 2 -4.665 -12.312 7.795 459 H LEU 3 HN LEU 3 -5.365 -10.641 2.695 460 HA LEU 3 HA LEU 3 -4.786 -8.007 1.940 461 HB2 LEU 3 HB2 LEU 3 -7.288 -9.658 1.515 462 HB3 LEU 3 HB1 LEU 3 -6.956 -8.130 0.699 463 HG LEU 3 HG LEU 3 -5.114 -10.533 0.592 464 HD11 LEU 3 HD11 LEU 3 -5.987 -10.699 -1.781 465 HD12 LEU 3 HD12 LEU 3 -7.259 -9.569 -1.318 466 HD13 LEU 3 HD13 LEU 3 -7.152 -11.145 -0.535 467 HD21 LEU 3 HD21 LEU 3 -4.255 -9.219 -1.419 468 HD22 LEU 3 HD22 LEU 3 -3.906 -8.509 0.155 469 HD23 LEU 3 HD23 LEU 3 -5.216 -7.862 -0.832 470 H GLU 4 HN GLU 4 -7.435 -9.275 3.953 471 HA GLU 4 HA GLU 4 -8.762 -6.857 4.427 472 HB2 GLU 4 HB2 GLU 4 -8.486 -9.337 6.135 473 HB3 GLU 4 HB1 GLU 4 -9.562 -7.997 6.533 474 HG2 GLU 4 HG2 GLU 4 -9.638 -9.570 3.942 475 HG3 GLU 4 HG1 GLU 4 -10.738 -9.807 5.299 476 H LYS 5 HN LYS 5 -6.160 -8.430 6.278 477 HA LYS 5 HA LYS 5 -5.964 -6.560 8.350 478 HB2 LYS 5 HB2 LYS 5 -4.787 -8.856 8.037 479 HB3 LYS 5 HB1 LYS 5 -3.543 -7.921 7.206 480 HG2 LYS 5 HG2 LYS 5 -4.483 -6.845 9.812 481 HG3 LYS 5 HG1 LYS 5 -3.517 -8.320 9.872 482 HD2 LYS 5 HD2 LYS 5 -1.714 -7.264 8.650 483 HD3 LYS 5 HD1 LYS 5 -2.692 -5.824 8.365 484 HE2 LYS 5 HE2 LYS 5 -1.159 -5.398 10.216 485 HE3 LYS 5 HE1 LYS 5 -2.811 -5.460 10.830 486 HZ1 LYS 5 HZ1 LYS 5 -2.391 -7.846 11.347 487 HZ2 LYS 5 HZ2 LYS 5 -1.465 -6.756 12.263 488 HZ3 LYS 5 HZ3 LYS 5 -0.758 -7.595 10.966 489 H LEU 6 HN LEU 6 -4.268 -6.683 5.223 490 HA LEU 6 HA LEU 6 -2.655 -4.419 5.565 491 HB2 LEU 6 HB2 LEU 6 -2.339 -5.983 3.712 492 HB3 LEU 6 HB1 LEU 6 -3.892 -5.507 3.025 493 HG LEU 6 HG LEU 6 -2.059 -3.264 3.602 494 HD11 LEU 6 HD11 LEU 6 -0.431 -4.925 2.816 495 HD12 LEU 6 HD12 LEU 6 -0.691 -3.697 1.576 496 HD13 LEU 6 HD13 LEU 6 -1.449 -5.282 1.420 497 HD21 LEU 6 HD21 LEU 6 -3.834 -4.156 1.316 498 HD22 LEU 6 HD22 LEU 6 -2.827 -2.711 1.227 499 HD23 LEU 6 HD23 LEU 6 -4.106 -2.821 2.436 500 H MET 7 HN MET 7 -5.919 -4.704 4.178 501 HA MET 7 HA MET 7 -6.284 -2.020 3.473 502 HB2 MET 7 HB2 MET 7 -7.794 -3.897 2.834 503 HB3 MET 7 HB1 MET 7 -8.400 -3.929 4.490 504 HG2 MET 7 HG2 MET 7 -9.938 -2.581 3.239 505 HG3 MET 7 HG1 MET 7 -8.970 -1.464 4.202 506 HE1 MET 7 HE1 MET 7 -9.036 0.810 2.733 507 HE2 MET 7 HE2 MET 7 -7.454 0.858 1.959 508 HE3 MET 7 HE3 MET 7 -7.618 0.161 3.569 509 H LYS 8 HN LYS 8 -7.060 -3.703 6.510 510 HA LYS 8 HA LYS 8 -8.212 -1.544 7.869 511 HB2 LYS 8 HB2 LYS 8 -6.666 -3.941 8.865 512 HB3 LYS 8 HB1 LYS 8 -7.441 -2.783 9.947 513 HG2 LYS 8 HG2 LYS 8 -9.616 -3.245 8.980 514 HG3 LYS 8 HG1 LYS 8 -8.892 -4.267 7.738 515 HD2 LYS 8 HD2 LYS 8 -9.787 -5.711 9.465 516 HD3 LYS 8 HD1 LYS 8 -8.027 -5.761 9.569 517 HE2 LYS 8 HE2 LYS 8 -8.058 -4.135 11.398 518 HE3 LYS 8 HE1 LYS 8 -9.810 -3.989 11.266 519 HZ1 LYS 8 HZ1 LYS 8 -9.680 -6.569 11.569 520 HZ2 LYS 8 HZ2 LYS 8 -9.640 -5.532 12.915 521 HZ3 LYS 8 HZ3 LYS 8 -8.200 -6.203 12.312 522 H ALA 9 HN ALA 9 -4.821 -2.621 7.755 523 HA ALA 9 HA ALA 9 -3.746 -0.718 9.504 524 HB1 ALA 9 HB1 ALA 9 -2.573 -2.174 7.136 525 HB2 ALA 9 HB2 ALA 9 -2.354 -2.527 8.850 526 HB3 ALA 9 HB3 ALA 9 -1.618 -1.088 8.145 527 H PHE 10 HN PHE 10 -4.174 -0.587 5.973 528 HA PHE 10 HA PHE 10 -3.020 1.925 5.534 529 HB2 PHE 10 HB2 PHE 10 -3.696 0.282 3.766 530 HB3 PHE 10 HB1 PHE 10 -5.374 0.753 4.040 531 HD1 PHE 10 HD1 PHE 10 -2.068 2.492 3.632 532 HD2 PHE 10 HD2 PHE 10 -6.216 2.307 2.534 533 HE1 PHE 10 HE1 PHE 10 -1.758 4.444 2.136 534 HE2 PHE 10 HE2 PHE 10 -5.907 4.261 1.040 535 HZ PHE 10 HZ PHE 10 -3.678 5.329 0.840 536 H GLU 11 HN GLU 11 -6.399 1.062 6.243 537 HA GLU 11 HA GLU 11 -7.497 3.635 6.112 538 HB2 GLU 11 HB2 GLU 11 -8.264 1.221 7.761 539 HB3 GLU 11 HB1 GLU 11 -9.229 2.697 7.705 540 HG2 GLU 11 HG2 GLU 11 -9.534 2.480 5.312 541 HG3 GLU 11 HG1 GLU 11 -8.417 1.117 5.251 542 H SER 12 HN SER 12 -6.115 1.882 8.887 543 HA SER 12 HA SER 12 -6.573 3.839 10.837 544 HB2 SER 12 HB2 SER 12 -4.801 2.753 12.124 545 HB3 SER 12 HB1 SER 12 -5.823 1.541 11.360 546 HG SER 12 HG SER 12 -3.258 1.709 11.178 547 H LEU 13 HN LEU 13 -3.769 3.338 8.704 548 HA LEU 13 HA LEU 13 -2.171 5.433 9.655 549 HB2 LEU 13 HB2 LEU 13 -1.319 3.740 8.115 550 HB3 LEU 13 HB1 LEU 13 -2.395 4.324 6.846 551 HG LEU 13 HG LEU 13 -0.697 6.402 8.083 552 HD11 LEU 13 HD11 LEU 13 0.893 4.524 8.044 553 HD12 LEU 13 HD12 LEU 13 1.308 5.706 6.803 554 HD13 LEU 13 HD13 LEU 13 0.492 4.208 6.356 555 HD21 LEU 13 HD21 LEU 13 -1.501 5.558 5.288 556 HD22 LEU 13 HD22 LEU 13 -0.377 6.882 5.592 557 HD23 LEU 13 HD23 LEU 13 -2.036 6.981 6.181 558 H LYS 14 HN LYS 14 -4.595 5.415 7.050 559 HA LYS 14 HA LYS 14 -4.310 8.076 6.228 560 HB2 LYS 14 HB2 LYS 14 -6.688 6.218 6.215 561 HB3 LYS 14 HB1 LYS 14 -6.750 7.840 5.527 562 HG2 LYS 14 HG2 LYS 14 -4.730 7.219 4.132 563 HG3 LYS 14 HG1 LYS 14 -4.946 5.559 4.690 564 HD2 LYS 14 HD2 LYS 14 -7.133 7.160 3.339 565 HD3 LYS 14 HD1 LYS 14 -6.056 6.065 2.474 566 HE2 LYS 14 HE2 LYS 14 -6.787 4.212 3.972 567 HE3 LYS 14 HE1 LYS 14 -7.921 5.319 4.746 568 HZ1 LYS 14 HZ1 LYS 14 -9.103 5.586 2.731 569 HZ2 LYS 14 HZ2 LYS 14 -8.878 3.914 2.939 570 HZ3 LYS 14 HZ3 LYS 14 -7.916 4.773 1.833 571 H SER 15 HN SER 15 -6.458 6.666 8.689 572 HA SER 15 HA SER 15 -7.796 9.014 9.433 573 HB2 SER 15 HB2 SER 15 -8.505 6.786 10.190 574 HB3 SER 15 HB1 SER 15 -7.038 6.635 11.152 575 HG SER 15 HG SER 15 -7.732 8.494 12.312 576 H PHE 16 HN PHE 16 -4.811 7.561 10.714 577 HA PHE 16 HA PHE 16 -4.290 9.443 12.718 578 HB2 PHE 16 HB2 PHE 16 -3.034 7.357 12.572 579 HB3 PHE 16 HB1 PHE 16 -2.317 7.872 11.044 580 HD1 PHE 16 HD1 PHE 16 -2.596 8.739 14.658 581 HD2 PHE 16 HD2 PHE 16 -0.430 9.321 10.994 582 HE1 PHE 16 HE1 PHE 16 -0.836 9.972 15.895 583 HE2 PHE 16 HE2 PHE 16 1.332 10.553 12.233 584 HZ PHE 16 HZ PHE 16 1.128 10.879 14.683 585 H GLN 17 HN GLN 17 -3.251 9.386 9.318 586 HA GLN 17 HA GLN 17 -1.705 11.720 9.337 587 HB2 GLN 17 HB2 GLN 17 -3.346 10.462 7.130 588 HB3 GLN 17 HB1 GLN 17 -2.240 11.812 6.877 589 HG2 GLN 17 HG2 GLN 17 -1.467 9.121 8.039 590 HG3 GLN 17 HG1 GLN 17 -1.160 9.634 6.382 591 HE21 GLN 17 HE21 GLN 17 0.547 9.183 9.071 592 HE22 GLN 17 HE22 GLN 17 1.616 10.500 9.011 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 12.720 -0.674 -2.615 2 H2 ALA 1 HT2 ALA 1 11.915 0.465 -1.645 3 H3 ALA 1 HT3 ALA 1 13.331 0.902 -2.475 4 HA ALA 1 HA ALA 1 12.175 0.510 -4.602 5 HB1 ALA 1 HB1 ALA 1 10.489 -1.056 -3.628 6 HB2 ALA 1 HB2 ALA 1 9.749 0.247 -4.558 7 HB3 ALA 1 HB3 ALA 1 9.746 0.309 -2.796 8 H THR 2 HN THR 2 11.478 2.387 -5.623 9 HA THR 2 HA THR 2 11.942 4.835 -4.340 10 HB THR 2 HB THR 2 10.566 5.710 -6.400 11 HG1 THR 2 HG1 THR 2 10.646 4.019 -8.037 12 HG21 THR 2 HG21 THR 2 12.539 5.523 -7.751 13 HG22 THR 2 HG22 THR 2 13.060 4.072 -6.895 14 HG23 THR 2 HG23 THR 2 13.081 5.633 -6.076 15 H LEU 3 HN LEU 3 10.782 5.694 -2.743 16 HA LEU 3 HA LEU 3 8.181 4.956 -2.010 17 HB2 LEU 3 HB2 LEU 3 9.747 7.487 -1.462 18 HB3 LEU 3 HB1 LEU 3 8.208 7.101 -0.692 19 HG LEU 3 HG LEU 3 10.620 5.272 -0.607 20 HD11 LEU 3 HD11 LEU 3 10.955 7.523 0.526 21 HD12 LEU 3 HD12 LEU 3 11.087 6.123 1.591 22 HD13 LEU 3 HD13 LEU 3 9.616 7.096 1.592 23 HD21 LEU 3 HD21 LEU 3 7.936 5.347 0.792 24 HD22 LEU 3 HD22 LEU 3 9.285 4.380 1.385 25 HD23 LEU 3 HD23 LEU 3 8.600 4.053 -0.205 26 H GLU 4 HN GLU 4 9.312 7.751 -3.900 27 HA GLU 4 HA GLU 4 6.825 8.970 -4.301 28 HB2 GLU 4 HB2 GLU 4 7.880 10.024 -6.289 29 HB3 GLU 4 HB1 GLU 4 8.890 10.123 -4.848 30 HG2 GLU 4 HG2 GLU 4 10.053 8.010 -5.666 31 HG3 GLU 4 HG1 GLU 4 9.196 8.232 -7.190 32 H LYS 5 HN LYS 5 8.517 6.544 -6.279 33 HA LYS 5 HA LYS 5 6.639 6.360 -8.344 34 HB2 LYS 5 HB2 LYS 5 8.926 5.314 -8.327 35 HB3 LYS 5 HB1 LYS 5 8.275 4.064 -7.264 36 HG2 LYS 5 HG2 LYS 5 6.871 3.198 -8.913 37 HG3 LYS 5 HG1 LYS 5 6.849 4.706 -9.827 38 HD2 LYS 5 HD2 LYS 5 9.300 4.336 -10.323 39 HD3 LYS 5 HD1 LYS 5 9.135 2.733 -9.606 40 HE2 LYS 5 HE2 LYS 5 7.367 3.711 -11.859 41 HE3 LYS 5 HE1 LYS 5 8.867 2.824 -12.135 42 HZ1 LYS 5 HZ1 LYS 5 7.888 1.124 -10.534 43 HZ2 LYS 5 HZ2 LYS 5 7.227 1.196 -12.097 44 HZ3 LYS 5 HZ3 LYS 5 6.404 1.902 -10.790 45 H LEU 6 HN LEU 6 6.866 4.526 -5.305 46 HA LEU 6 HA LEU 6 4.680 2.825 -5.715 47 HB2 LEU 6 HB2 LEU 6 6.263 2.487 -3.886 48 HB3 LEU 6 HB1 LEU 6 5.732 3.987 -3.126 49 HG LEU 6 HG LEU 6 3.558 2.095 -3.771 50 HD11 LEU 6 HD11 LEU 6 5.224 0.468 -3.075 51 HD12 LEU 6 HD12 LEU 6 4.078 0.694 -1.754 52 HD13 LEU 6 HD13 LEU 6 5.665 1.459 -1.685 53 HD21 LEU 6 HD21 LEU 6 3.045 4.068 -2.511 54 HD22 LEU 6 HD22 LEU 6 4.398 3.798 -1.413 55 HD23 LEU 6 HD23 LEU 6 2.994 2.732 -1.361 56 H MET 7 HN MET 7 4.818 6.030 -4.181 57 HA MET 7 HA MET 7 2.123 6.231 -3.451 58 HB2 MET 7 HB2 MET 7 3.913 7.801 -2.735 59 HB3 MET 7 HB1 MET 7 3.938 8.475 -4.364 60 HG2 MET 7 HG2 MET 7 2.512 9.903 -3.069 61 HG3 MET 7 HG1 MET 7 1.447 8.931 -4.083 62 HE1 MET 7 HE1 MET 7 -0.881 7.327 -1.876 63 HE2 MET 7 HE2 MET 7 -0.145 7.410 -3.474 64 HE3 MET 7 HE3 MET 7 -0.795 8.871 -2.734 65 H LYS 8 HN LYS 8 3.751 7.227 -6.455 66 HA LYS 8 HA LYS 8 1.532 8.334 -7.755 67 HB2 LYS 8 HB2 LYS 8 3.981 6.936 -8.842 68 HB3 LYS 8 HB1 LYS 8 2.792 7.741 -9.867 69 HG2 LYS 8 HG2 LYS 8 3.166 9.853 -8.646 70 HG3 LYS 8 HG1 LYS 8 4.359 9.051 -7.625 71 HD2 LYS 8 HD2 LYS 8 5.752 8.572 -9.584 72 HD3 LYS 8 HD1 LYS 8 4.546 9.307 -10.641 73 HE2 LYS 8 HE2 LYS 8 6.341 10.913 -10.184 74 HE3 LYS 8 HE1 LYS 8 4.839 11.463 -9.440 75 HZ1 LYS 8 HZ1 LYS 8 5.593 11.013 -7.355 76 HZ2 LYS 8 HZ2 LYS 8 7.071 11.398 -8.100 77 HZ3 LYS 8 HZ3 LYS 8 6.634 9.773 -7.860 78 H ALA 9 HN ALA 9 2.770 4.998 -7.797 79 HA ALA 9 HA ALA 9 0.910 3.913 -9.587 80 HB1 ALA 9 HB1 ALA 9 2.321 2.634 -7.235 81 HB2 ALA 9 HB2 ALA 9 2.864 2.653 -8.912 82 HB3 ALA 9 HB3 ALA 9 1.423 1.741 -8.462 83 H PHE 10 HN PHE 10 0.779 4.174 -6.039 84 HA PHE 10 HA PHE 10 -1.671 2.881 -5.633 85 HB2 PHE 10 HB2 PHE 10 -0.116 3.501 -3.824 86 HB3 PHE 10 HB1 PHE 10 -0.482 5.203 -4.096 87 HD1 PHE 10 HD1 PHE 10 -1.982 1.937 -3.121 88 HD2 PHE 10 HD2 PHE 10 -2.424 6.209 -3.174 89 HE1 PHE 10 HE1 PHE 10 -3.948 1.753 -1.620 90 HE2 PHE 10 HE2 PHE 10 -4.390 6.025 -1.675 91 HZ PHE 10 HZ PHE 10 -5.151 3.797 -0.897 92 H GLU 11 HN GLU 11 -0.976 6.328 -6.202 93 HA GLU 11 HA GLU 11 -3.599 7.291 -6.014 94 HB2 GLU 11 HB2 GLU 11 -1.232 8.251 -7.630 95 HB3 GLU 11 HB1 GLU 11 -2.752 9.140 -7.525 96 HG2 GLU 11 HG2 GLU 11 -2.540 9.339 -5.120 97 HG3 GLU 11 HG1 GLU 11 -1.124 8.289 -5.116 98 H SER 12 HN SER 12 -1.795 6.125 -8.854 99 HA SER 12 HA SER 12 -3.775 6.574 -10.786 100 HB2 SER 12 HB2 SER 12 -1.655 4.419 -10.636 101 HB3 SER 12 HB1 SER 12 -2.629 4.752 -12.065 102 HG SER 12 HG SER 12 -0.983 6.629 -10.706 103 H LEU 13 HN LEU 13 -3.138 3.706 -8.774 104 HA LEU 13 HA LEU 13 -5.156 2.051 -9.789 105 HB2 LEU 13 HB2 LEU 13 -3.429 1.204 -8.295 106 HB3 LEU 13 HB1 LEU 13 -4.025 2.223 -6.985 107 HG LEU 13 HG LEU 13 -6.201 1.028 -7.070 108 HD11 LEU 13 HD11 LEU 13 -4.760 -0.571 -9.202 109 HD12 LEU 13 HD12 LEU 13 -6.269 0.327 -9.371 110 HD13 LEU 13 HD13 LEU 13 -6.220 -1.138 -8.391 111 HD21 LEU 13 HD21 LEU 13 -3.956 -0.987 -6.868 112 HD22 LEU 13 HD22 LEU 13 -5.450 -0.920 -5.933 113 HD23 LEU 13 HD23 LEU 13 -4.185 0.277 -5.660 114 H LYS 14 HN LYS 14 -5.242 4.355 -7.077 115 HA LYS 14 HA LYS 14 -7.884 3.900 -6.273 116 HB2 LYS 14 HB2 LYS 14 -6.076 6.300 -6.085 117 HB3 LYS 14 HB1 LYS 14 -7.734 6.357 -5.486 118 HG2 LYS 14 HG2 LYS 14 -5.772 4.201 -4.667 119 HG3 LYS 14 HG1 LYS 14 -5.977 5.702 -3.763 120 HD2 LYS 14 HD2 LYS 14 -8.411 5.196 -3.543 121 HD3 LYS 14 HD1 LYS 14 -8.134 3.650 -4.344 122 HE2 LYS 14 HE2 LYS 14 -6.556 3.004 -2.565 123 HE3 LYS 14 HE1 LYS 14 -6.834 4.548 -1.758 124 HZ1 LYS 14 HZ1 LYS 14 -8.225 2.933 -0.745 125 HZ2 LYS 14 HZ2 LYS 14 -8.810 2.390 -2.245 126 HZ3 LYS 14 HZ3 LYS 14 -9.227 3.936 -1.676 127 H SER 15 HN SER 15 -6.590 6.229 -8.626 128 HA SER 15 HA SER 15 -9.003 7.484 -9.299 129 HB2 SER 15 HB2 SER 15 -6.550 6.945 -10.988 130 HB3 SER 15 HB1 SER 15 -7.866 8.012 -11.466 131 HG SER 15 HG SER 15 -6.644 9.407 -10.426 132 H PHE 16 HN PHE 16 -7.415 4.634 -10.722 133 HA PHE 16 HA PHE 16 -9.283 4.111 -12.740 134 HB2 PHE 16 HB2 PHE 16 -7.562 2.191 -11.151 135 HB3 PHE 16 HB1 PHE 16 -8.442 1.763 -12.618 136 HD1 PHE 16 HD1 PHE 16 -5.286 2.155 -11.750 137 HD2 PHE 16 HD2 PHE 16 -8.110 4.176 -14.279 138 HE1 PHE 16 HE1 PHE 16 -3.422 3.047 -13.120 139 HE2 PHE 16 HE2 PHE 16 -6.246 5.068 -15.648 140 HZ PHE 16 HZ PHE 16 -3.901 4.504 -15.068 141 H GLN 17 HN GLN 17 -9.157 2.927 -9.390 142 HA GLN 17 HA GLN 17 -11.413 1.272 -9.473 143 HB2 GLN 17 HB2 GLN 17 -9.647 1.611 -7.596 144 HB3 GLN 17 HB1 GLN 17 -10.724 2.892 -7.037 145 HG2 GLN 17 HG2 GLN 17 -11.812 0.158 -7.669 146 HG3 GLN 17 HG1 GLN 17 -11.067 0.481 -6.105 147 HE21 GLN 17 HE21 GLN 17 -13.960 -0.057 -6.695 148 HE22 GLN 17 HE22 GLN 17 -14.799 1.299 -6.115 149 H1 ALA 1 HT1 ALA 1 -12.720 0.674 -2.615 150 H2 ALA 1 HT2 ALA 1 -11.915 -0.465 -1.645 151 H3 ALA 1 HT3 ALA 1 -13.331 -0.902 -2.475 152 HA ALA 1 HA ALA 1 -12.175 -0.510 -4.602 153 HB1 ALA 1 HB1 ALA 1 -10.489 1.056 -3.628 154 HB2 ALA 1 HB2 ALA 1 -9.749 -0.247 -4.558 155 HB3 ALA 1 HB3 ALA 1 -9.746 -0.309 -2.796 156 H THR 2 HN THR 2 -11.478 -2.387 -5.623 157 HA THR 2 HA THR 2 -11.942 -4.835 -4.340 158 HB THR 2 HB THR 2 -10.547 -5.701 -6.400 159 HG1 THR 2 HG1 THR 2 -10.650 -4.026 -8.040 160 HG21 THR 2 HG21 THR 2 -12.529 -5.559 -7.741 161 HG22 THR 2 HG22 THR 2 -13.073 -4.112 -6.893 162 HG23 THR 2 HG23 THR 2 -13.063 -5.668 -6.064 163 H LEU 3 HN LEU 3 -10.782 -5.694 -2.743 164 HA LEU 3 HA LEU 3 -8.181 -4.956 -2.010 165 HB2 LEU 3 HB2 LEU 3 -9.747 -7.487 -1.462 166 HB3 LEU 3 HB1 LEU 3 -8.208 -7.101 -0.692 167 HG LEU 3 HG LEU 3 -10.620 -5.272 -0.607 168 HD11 LEU 3 HD11 LEU 3 -10.955 -7.523 0.526 169 HD12 LEU 3 HD12 LEU 3 -11.087 -6.123 1.591 170 HD13 LEU 3 HD13 LEU 3 -9.616 -7.096 1.592 171 HD21 LEU 3 HD21 LEU 3 -7.936 -5.347 0.792 172 HD22 LEU 3 HD22 LEU 3 -9.285 -4.380 1.385 173 HD23 LEU 3 HD23 LEU 3 -8.600 -4.053 -0.205 174 H GLU 4 HN GLU 4 -9.312 -7.751 -3.900 175 HA GLU 4 HA GLU 4 -6.825 -8.970 -4.301 176 HB2 GLU 4 HB2 GLU 4 -7.880 -10.024 -6.289 177 HB3 GLU 4 HB1 GLU 4 -8.890 -10.123 -4.848 178 HG2 GLU 4 HG2 GLU 4 -10.053 -8.010 -5.666 179 HG3 GLU 4 HG1 GLU 4 -9.196 -8.232 -7.190 180 H LYS 5 HN LYS 5 -8.517 -6.544 -6.279 181 HA LYS 5 HA LYS 5 -6.644 -6.356 -8.348 182 HB2 LYS 5 HB2 LYS 5 -8.937 -5.317 -8.304 183 HB3 LYS 5 HB1 LYS 5 -8.281 -4.070 -7.243 184 HG2 LYS 5 HG2 LYS 5 -6.665 -3.408 -8.939 185 HG3 LYS 5 HG1 LYS 5 -7.179 -4.728 -9.990 186 HD2 LYS 5 HD2 LYS 5 -9.498 -3.721 -9.971 187 HD3 LYS 5 HD1 LYS 5 -8.815 -2.326 -9.136 188 HE2 LYS 5 HE2 LYS 5 -7.861 -3.356 -11.824 189 HE3 LYS 5 HE1 LYS 5 -8.957 -1.992 -11.607 190 HZ1 LYS 5 HZ1 LYS 5 -7.313 -0.735 -10.583 191 HZ2 LYS 5 HZ2 LYS 5 -6.484 -1.504 -11.850 192 HZ3 LYS 5 HZ3 LYS 5 -6.331 -2.078 -10.260 193 H LEU 6 HN LEU 6 -6.866 -4.526 -5.305 194 HA LEU 6 HA LEU 6 -4.680 -2.825 -5.714 195 HB2 LEU 6 HB2 LEU 6 -6.263 -2.488 -3.886 196 HB3 LEU 6 HB1 LEU 6 -5.732 -3.988 -3.126 197 HG LEU 6 HG LEU 6 -3.558 -2.095 -3.771 198 HD11 LEU 6 HD11 LEU 6 -5.225 -0.468 -3.075 199 HD12 LEU 6 HD12 LEU 6 -4.078 -0.695 -1.754 200 HD13 LEU 6 HD13 LEU 6 -5.666 -1.460 -1.685 201 HD21 LEU 6 HD21 LEU 6 -3.045 -4.068 -2.511 202 HD22 LEU 6 HD22 LEU 6 -4.398 -3.798 -1.413 203 HD23 LEU 6 HD23 LEU 6 -2.994 -2.732 -1.360 204 H MET 7 HN MET 7 -4.818 -6.030 -4.181 205 HA MET 7 HA MET 7 -2.123 -6.231 -3.451 206 HB2 MET 7 HB2 MET 7 -3.913 -7.801 -2.735 207 HB3 MET 7 HB1 MET 7 -3.938 -8.475 -4.364 208 HG2 MET 7 HG2 MET 7 -2.512 -9.903 -3.069 209 HG3 MET 7 HG1 MET 7 -1.447 -8.931 -4.083 210 HE1 MET 7 HE1 MET 7 0.881 -7.327 -1.876 211 HE2 MET 7 HE2 MET 7 0.145 -7.410 -3.474 212 HE3 MET 7 HE3 MET 7 0.795 -8.871 -2.734 213 H LYS 8 HN LYS 8 -3.751 -7.227 -6.455 214 HA LYS 8 HA LYS 8 -1.532 -8.334 -7.755 215 HB2 LYS 8 HB2 LYS 8 -3.981 -6.936 -8.842 216 HB3 LYS 8 HB1 LYS 8 -2.792 -7.741 -9.867 217 HG2 LYS 8 HG2 LYS 8 -3.166 -9.853 -8.646 218 HG3 LYS 8 HG1 LYS 8 -4.359 -9.051 -7.625 219 HD2 LYS 8 HD2 LYS 8 -5.752 -8.572 -9.584 220 HD3 LYS 8 HD1 LYS 8 -4.546 -9.307 -10.641 221 HE2 LYS 8 HE2 LYS 8 -6.341 -10.913 -10.184 222 HE3 LYS 8 HE1 LYS 8 -4.839 -11.463 -9.440 223 HZ1 LYS 8 HZ1 LYS 8 -5.593 -11.013 -7.355 224 HZ2 LYS 8 HZ2 LYS 8 -7.071 -11.398 -8.100 225 HZ3 LYS 8 HZ3 LYS 8 -6.634 -9.773 -7.860 226 H ALA 9 HN ALA 9 -2.770 -4.998 -7.797 227 HA ALA 9 HA ALA 9 -0.910 -3.913 -9.587 228 HB1 ALA 9 HB1 ALA 9 -2.321 -2.634 -7.235 229 HB2 ALA 9 HB2 ALA 9 -2.864 -2.653 -8.912 230 HB3 ALA 9 HB3 ALA 9 -1.423 -1.741 -8.462 231 H PHE 10 HN PHE 10 -0.779 -4.174 -6.039 232 HA PHE 10 HA PHE 10 1.671 -2.881 -5.633 233 HB2 PHE 10 HB2 PHE 10 0.116 -3.501 -3.824 234 HB3 PHE 10 HB1 PHE 10 0.482 -5.203 -4.096 235 HD1 PHE 10 HD1 PHE 10 1.982 -1.937 -3.121 236 HD2 PHE 10 HD2 PHE 10 2.424 -6.209 -3.174 237 HE1 PHE 10 HE1 PHE 10 3.948 -1.753 -1.620 238 HE2 PHE 10 HE2 PHE 10 4.390 -6.025 -1.675 239 HZ PHE 10 HZ PHE 10 5.151 -3.797 -0.897 240 H GLU 11 HN GLU 11 0.976 -6.328 -6.202 241 HA GLU 11 HA GLU 11 3.599 -7.291 -6.014 242 HB2 GLU 11 HB2 GLU 11 1.232 -8.251 -7.630 243 HB3 GLU 11 HB1 GLU 11 2.752 -9.140 -7.525 244 HG2 GLU 11 HG2 GLU 11 2.540 -9.339 -5.120 245 HG3 GLU 11 HG1 GLU 11 1.124 -8.289 -5.116 246 H SER 12 HN SER 12 1.795 -6.125 -8.854 247 HA SER 12 HA SER 12 3.783 -6.576 -10.777 248 HB2 SER 12 HB2 SER 12 2.618 -4.920 -12.146 249 HB3 SER 12 HB1 SER 12 1.451 -5.960 -11.336 250 HG SER 12 HG SER 12 2.176 -3.292 -10.791 251 H LEU 13 HN LEU 13 3.138 -3.706 -8.774 252 HA LEU 13 HA LEU 13 5.157 -2.054 -9.790 253 HB2 LEU 13 HB2 LEU 13 3.427 -1.206 -8.297 254 HB3 LEU 13 HB1 LEU 13 4.035 -2.212 -6.982 255 HG LEU 13 HG LEU 13 6.208 -1.010 -7.096 256 HD11 LEU 13 HD11 LEU 13 4.740 0.548 -9.237 257 HD12 LEU 13 HD12 LEU 13 6.275 -0.308 -9.387 258 HD13 LEU 13 HD13 LEU 13 6.177 1.166 -8.423 259 HD21 LEU 13 HD21 LEU 13 3.959 0.999 -6.879 260 HD22 LEU 13 HD22 LEU 13 5.459 0.935 -5.955 261 HD23 LEU 13 HD23 LEU 13 4.198 -0.264 -5.670 262 H LYS 14 HN LYS 14 5.242 -4.355 -7.077 263 HA LYS 14 HA LYS 14 7.884 -3.900 -6.273 264 HB2 LYS 14 HB2 LYS 14 6.076 -6.300 -6.085 265 HB3 LYS 14 HB1 LYS 14 7.734 -6.357 -5.486 266 HG2 LYS 14 HG2 LYS 14 5.772 -4.201 -4.667 267 HG3 LYS 14 HG1 LYS 14 5.977 -5.702 -3.763 268 HD2 LYS 14 HD2 LYS 14 8.411 -5.196 -3.543 269 HD3 LYS 14 HD1 LYS 14 8.134 -3.650 -4.344 270 HE2 LYS 14 HE2 LYS 14 6.556 -3.004 -2.565 271 HE3 LYS 14 HE1 LYS 14 6.834 -4.548 -1.758 272 HZ1 LYS 14 HZ1 LYS 14 8.225 -2.933 -0.745 273 HZ2 LYS 14 HZ2 LYS 14 8.810 -2.390 -2.245 274 HZ3 LYS 14 HZ3 LYS 14 9.227 -3.936 -1.676 275 H SER 15 HN SER 15 6.590 -6.229 -8.626 276 HA SER 15 HA SER 15 9.003 -7.484 -9.299 277 HB2 SER 15 HB2 SER 15 6.816 -8.334 -10.029 278 HB3 SER 15 HB1 SER 15 6.600 -6.921 -11.059 279 HG SER 15 HG SER 15 8.799 -8.706 -11.249 280 H PHE 16 HN PHE 16 7.415 -4.634 -10.722 281 HA PHE 16 HA PHE 16 9.276 -4.108 -12.744 282 HB2 PHE 16 HB2 PHE 16 7.098 -2.976 -12.590 283 HB3 PHE 16 HB1 PHE 16 7.637 -2.131 -11.139 284 HD1 PHE 16 HD1 PHE 16 8.170 -2.515 -14.784 285 HD2 PHE 16 HD2 PHE 16 9.157 -0.265 -11.261 286 HE1 PHE 16 HE1 PHE 16 9.226 -0.771 -16.194 287 HE2 PHE 16 HE2 PHE 16 10.214 1.480 -12.672 288 HZ PHE 16 HZ PHE 16 10.248 1.227 -15.139 289 H GLN 17 HN GLN 17 9.157 -2.927 -9.390 290 HA GLN 17 HA GLN 17 11.413 -1.272 -9.473 291 HB2 GLN 17 HB2 GLN 17 9.647 -1.611 -7.596 292 HB3 GLN 17 HB1 GLN 17 10.724 -2.892 -7.037 293 HG2 GLN 17 HG2 GLN 17 11.812 -0.158 -7.669 294 HG3 GLN 17 HG1 GLN 17 11.067 -0.481 -6.105 295 HE21 GLN 17 HE21 GLN 17 13.960 0.058 -6.695 296 HE22 GLN 17 HE22 GLN 17 14.799 -1.299 -6.115 297 H1 ALA 1 HT1 ALA 1 -0.674 12.720 2.615 298 H2 ALA 1 HT2 ALA 1 0.465 11.915 1.645 299 H3 ALA 1 HT3 ALA 1 0.902 13.331 2.475 300 HA ALA 1 HA ALA 1 0.509 12.175 4.602 301 HB1 ALA 1 HB1 ALA 1 -1.056 10.489 3.628 302 HB2 ALA 1 HB2 ALA 1 0.247 9.749 4.558 303 HB3 ALA 1 HB3 ALA 1 0.310 9.746 2.796 304 H THR 2 HN THR 2 2.387 11.478 5.623 305 HA THR 2 HA THR 2 4.835 11.942 4.341 306 HB THR 2 HB THR 2 5.706 10.550 6.397 307 HG1 THR 2 HG1 THR 2 4.023 10.647 8.038 308 HG21 THR 2 HG21 THR 2 5.548 12.526 7.747 309 HG22 THR 2 HG22 THR 2 4.100 13.064 6.897 310 HG23 THR 2 HG23 THR 2 5.658 13.066 6.072 311 H LEU 3 HN LEU 3 5.694 10.782 2.743 312 HA LEU 3 HA LEU 3 4.956 8.181 2.010 313 HB2 LEU 3 HB2 LEU 3 7.487 9.747 1.462 314 HB3 LEU 3 HB1 LEU 3 7.101 8.208 0.692 315 HG LEU 3 HG LEU 3 5.272 10.620 0.607 316 HD11 LEU 3 HD11 LEU 3 7.523 10.955 -0.526 317 HD12 LEU 3 HD12 LEU 3 6.123 11.087 -1.591 318 HD13 LEU 3 HD13 LEU 3 7.096 9.616 -1.592 319 HD21 LEU 3 HD21 LEU 3 5.347 7.936 -0.792 320 HD22 LEU 3 HD22 LEU 3 4.380 9.285 -1.385 321 HD23 LEU 3 HD23 LEU 3 4.053 8.600 0.205 322 H GLU 4 HN GLU 4 7.751 9.312 3.900 323 HA GLU 4 HA GLU 4 8.970 6.825 4.301 324 HB2 GLU 4 HB2 GLU 4 10.024 7.880 6.289 325 HB3 GLU 4 HB1 GLU 4 10.123 8.890 4.848 326 HG2 GLU 4 HG2 GLU 4 8.010 10.053 5.666 327 HG3 GLU 4 HG1 GLU 4 8.232 9.196 7.190 328 H LYS 5 HN LYS 5 6.544 8.517 6.279 329 HA LYS 5 HA LYS 5 6.362 6.638 8.343 330 HB2 LYS 5 HB2 LYS 5 5.319 8.941 8.296 331 HB3 LYS 5 HB1 LYS 5 4.045 8.256 7.285 332 HG2 LYS 5 HG2 LYS 5 3.211 6.921 8.989 333 HG3 LYS 5 HG1 LYS 5 4.759 6.854 9.833 334 HD2 LYS 5 HD2 LYS 5 4.482 9.319 10.337 335 HD3 LYS 5 HD1 LYS 5 2.839 9.192 9.706 336 HE2 LYS 5 HE2 LYS 5 3.916 7.442 11.932 337 HE3 LYS 5 HE1 LYS 5 3.009 8.927 12.213 338 HZ1 LYS 5 HZ1 LYS 5 1.327 7.823 10.598 339 HZ2 LYS 5 HZ2 LYS 5 1.356 7.359 12.232 340 HZ3 LYS 5 HZ3 LYS 5 2.099 6.384 11.056 341 H LEU 6 HN LEU 6 4.526 6.866 5.305 342 HA LEU 6 HA LEU 6 2.825 4.680 5.715 343 HB2 LEU 6 HB2 LEU 6 2.487 6.263 3.886 344 HB3 LEU 6 HB1 LEU 6 3.987 5.732 3.126 345 HG LEU 6 HG LEU 6 2.095 3.558 3.772 346 HD11 LEU 6 HD11 LEU 6 0.467 5.224 3.075 347 HD12 LEU 6 HD12 LEU 6 0.694 4.077 1.755 348 HD13 LEU 6 HD13 LEU 6 1.459 5.665 1.685 349 HD21 LEU 6 HD21 LEU 6 4.068 3.044 2.511 350 HD22 LEU 6 HD22 LEU 6 3.798 4.398 1.413 351 HD23 LEU 6 HD23 LEU 6 2.732 2.994 1.361 352 H MET 7 HN MET 7 6.030 4.818 4.181 353 HA MET 7 HA MET 7 6.231 2.123 3.451 354 HB2 MET 7 HB2 MET 7 7.801 3.913 2.735 355 HB3 MET 7 HB1 MET 7 8.475 3.938 4.364 356 HG2 MET 7 HG2 MET 7 9.903 2.512 3.069 357 HG3 MET 7 HG1 MET 7 8.931 1.447 4.083 358 HE1 MET 7 HE1 MET 7 7.327 -0.881 1.876 359 HE2 MET 7 HE2 MET 7 7.410 -0.145 3.474 360 HE3 MET 7 HE3 MET 7 8.871 -0.795 2.734 361 H LYS 8 HN LYS 8 7.227 3.751 6.455 362 HA LYS 8 HA LYS 8 8.334 1.532 7.755 363 HB2 LYS 8 HB2 LYS 8 6.936 3.981 8.842 364 HB3 LYS 8 HB1 LYS 8 7.741 2.792 9.867 365 HG2 LYS 8 HG2 LYS 8 9.853 3.166 8.646 366 HG3 LYS 8 HG1 LYS 8 9.051 4.359 7.625 367 HD2 LYS 8 HD2 LYS 8 8.572 5.752 9.584 368 HD3 LYS 8 HD1 LYS 8 9.307 4.546 10.641 369 HE2 LYS 8 HE2 LYS 8 10.913 6.341 10.184 370 HE3 LYS 8 HE1 LYS 8 11.463 4.839 9.440 371 HZ1 LYS 8 HZ1 LYS 8 11.013 5.593 7.355 372 HZ2 LYS 8 HZ2 LYS 8 11.398 7.071 8.100 373 HZ3 LYS 8 HZ3 LYS 8 9.773 6.634 7.860 374 H ALA 9 HN ALA 9 4.998 2.770 7.797 375 HA ALA 9 HA ALA 9 3.913 0.910 9.587 376 HB1 ALA 9 HB1 ALA 9 2.616 2.292 7.226 377 HB2 ALA 9 HB2 ALA 9 2.670 2.881 8.888 378 HB3 ALA 9 HB3 ALA 9 1.742 1.434 8.495 379 H PHE 10 HN PHE 10 4.174 0.779 6.039 380 HA PHE 10 HA PHE 10 2.881 -1.671 5.633 381 HB2 PHE 10 HB2 PHE 10 3.501 -0.116 3.824 382 HB3 PHE 10 HB1 PHE 10 5.203 -0.482 4.096 383 HD1 PHE 10 HD1 PHE 10 1.937 -1.982 3.121 384 HD2 PHE 10 HD2 PHE 10 6.209 -2.424 3.174 385 HE1 PHE 10 HE1 PHE 10 1.753 -3.948 1.620 386 HE2 PHE 10 HE2 PHE 10 6.025 -4.390 1.675 387 HZ PHE 10 HZ PHE 10 3.797 -5.151 0.897 388 H GLU 11 HN GLU 11 6.328 -0.976 6.202 389 HA GLU 11 HA GLU 11 7.291 -3.599 6.014 390 HB2 GLU 11 HB2 GLU 11 8.251 -1.232 7.630 391 HB3 GLU 11 HB1 GLU 11 9.140 -2.752 7.525 392 HG2 GLU 11 HG2 GLU 11 9.339 -2.540 5.120 393 HG3 GLU 11 HG1 GLU 11 8.289 -1.124 5.116 394 H SER 12 HN SER 12 6.125 -1.795 8.854 395 HA SER 12 HA SER 12 6.574 -3.775 10.786 396 HB2 SER 12 HB2 SER 12 5.954 -1.469 11.365 397 HB3 SER 12 HB1 SER 12 4.357 -1.713 10.662 398 HG SER 12 HG SER 12 4.637 -2.032 13.030 399 H LEU 13 HN LEU 13 3.706 -3.138 8.774 400 HA LEU 13 HA LEU 13 2.051 -5.156 9.789 401 HB2 LEU 13 HB2 LEU 13 1.204 -3.429 8.295 402 HB3 LEU 13 HB1 LEU 13 2.223 -4.025 6.985 403 HG LEU 13 HG LEU 13 1.028 -6.201 7.071 404 HD11 LEU 13 HD11 LEU 13 -0.571 -4.761 9.202 405 HD12 LEU 13 HD12 LEU 13 0.327 -6.269 9.371 406 HD13 LEU 13 HD13 LEU 13 -1.138 -6.220 8.391 407 HD21 LEU 13 HD21 LEU 13 -0.987 -3.956 6.867 408 HD22 LEU 13 HD22 LEU 13 -0.920 -5.449 5.933 409 HD23 LEU 13 HD23 LEU 13 0.277 -4.185 5.659 410 H LYS 14 HN LYS 14 4.355 -5.242 7.077 411 HA LYS 14 HA LYS 14 3.900 -7.884 6.273 412 HB2 LYS 14 HB2 LYS 14 6.300 -6.076 6.085 413 HB3 LYS 14 HB1 LYS 14 6.357 -7.734 5.486 414 HG2 LYS 14 HG2 LYS 14 4.201 -5.772 4.667 415 HG3 LYS 14 HG1 LYS 14 5.702 -5.977 3.763 416 HD2 LYS 14 HD2 LYS 14 5.196 -8.411 3.543 417 HD3 LYS 14 HD1 LYS 14 3.650 -8.134 4.344 418 HE2 LYS 14 HE2 LYS 14 3.004 -6.556 2.565 419 HE3 LYS 14 HE1 LYS 14 4.548 -6.834 1.758 420 HZ1 LYS 14 HZ1 LYS 14 2.933 -8.225 0.745 421 HZ2 LYS 14 HZ2 LYS 14 2.390 -8.810 2.245 422 HZ3 LYS 14 HZ3 LYS 14 3.936 -9.227 1.676 423 H SER 15 HN SER 15 6.229 -6.590 8.626 424 HA SER 15 HA SER 15 7.484 -9.003 9.299 425 HB2 SER 15 HB2 SER 15 8.334 -6.817 10.029 426 HB3 SER 15 HB1 SER 15 6.921 -6.600 11.058 427 HG SER 15 HG SER 15 9.163 -7.761 11.695 428 H PHE 16 HN PHE 16 4.634 -7.415 10.722 429 HA PHE 16 HA PHE 16 4.113 -9.280 12.741 430 HB2 PHE 16 HB2 PHE 16 2.402 -7.346 11.212 431 HB3 PHE 16 HB1 PHE 16 1.656 -8.485 12.333 432 HD1 PHE 16 HD1 PHE 16 3.146 -5.299 12.047 433 HD2 PHE 16 HD2 PHE 16 2.868 -8.669 14.695 434 HE1 PHE 16 HE1 PHE 16 3.803 -3.856 13.954 435 HE2 PHE 16 HE2 PHE 16 3.523 -7.226 16.602 436 HZ PHE 16 HZ PHE 16 3.991 -4.819 16.231 437 H GLN 17 HN GLN 17 2.927 -9.157 9.390 438 HA GLN 17 HA GLN 17 1.272 -11.413 9.473 439 HB2 GLN 17 HB2 GLN 17 1.611 -9.647 7.596 440 HB3 GLN 17 HB1 GLN 17 2.892 -10.724 7.037 441 HG2 GLN 17 HG2 GLN 17 0.158 -11.812 7.669 442 HG3 GLN 17 HG1 GLN 17 0.481 -11.067 6.105 443 HE21 GLN 17 HE21 GLN 17 -0.057 -13.960 6.695 444 HE22 GLN 17 HE22 GLN 17 1.299 -14.799 6.115 445 H1 ALA 1 HT1 ALA 1 0.674 -12.720 2.615 446 H2 ALA 1 HT2 ALA 1 -0.465 -11.915 1.645 447 H3 ALA 1 HT3 ALA 1 -0.902 -13.331 2.475 448 HA ALA 1 HA ALA 1 -0.510 -12.175 4.602 449 HB1 ALA 1 HB1 ALA 1 1.056 -10.489 3.628 450 HB2 ALA 1 HB2 ALA 1 -0.247 -9.749 4.558 451 HB3 ALA 1 HB3 ALA 1 -0.309 -9.746 2.796 452 H THR 2 HN THR 2 -2.387 -11.478 5.623 453 HA THR 2 HA THR 2 -4.835 -11.942 4.340 454 HB THR 2 HB THR 2 -5.701 -10.547 6.400 455 HG1 THR 2 HG1 THR 2 -4.026 -10.650 8.040 456 HG21 THR 2 HG21 THR 2 -5.559 -12.529 7.741 457 HG22 THR 2 HG22 THR 2 -4.112 -13.073 6.893 458 HG23 THR 2 HG23 THR 2 -5.668 -13.063 6.064 459 H LEU 3 HN LEU 3 -5.694 -10.782 2.743 460 HA LEU 3 HA LEU 3 -4.956 -8.181 2.010 461 HB2 LEU 3 HB2 LEU 3 -7.487 -9.747 1.462 462 HB3 LEU 3 HB1 LEU 3 -7.101 -8.208 0.692 463 HG LEU 3 HG LEU 3 -5.272 -10.620 0.607 464 HD11 LEU 3 HD11 LEU 3 -7.523 -10.955 -0.526 465 HD12 LEU 3 HD12 LEU 3 -6.123 -11.087 -1.591 466 HD13 LEU 3 HD13 LEU 3 -7.096 -9.616 -1.592 467 HD21 LEU 3 HD21 LEU 3 -5.347 -7.936 -0.792 468 HD22 LEU 3 HD22 LEU 3 -4.380 -9.285 -1.385 469 HD23 LEU 3 HD23 LEU 3 -4.053 -8.600 0.205 470 H GLU 4 HN GLU 4 -7.751 -9.312 3.900 471 HA GLU 4 HA GLU 4 -8.970 -6.825 4.301 472 HB2 GLU 4 HB2 GLU 4 -10.024 -7.880 6.289 473 HB3 GLU 4 HB1 GLU 4 -10.123 -8.890 4.848 474 HG2 GLU 4 HG2 GLU 4 -8.010 -10.053 5.666 475 HG3 GLU 4 HG1 GLU 4 -8.232 -9.196 7.190 476 H LYS 5 HN LYS 5 -6.544 -8.517 6.279 477 HA LYS 5 HA LYS 5 -6.356 -6.644 8.348 478 HB2 LYS 5 HB2 LYS 5 -5.317 -8.937 8.304 479 HB3 LYS 5 HB1 LYS 5 -4.070 -8.281 7.243 480 HG2 LYS 5 HG2 LYS 5 -3.408 -6.665 8.939 481 HG3 LYS 5 HG1 LYS 5 -4.728 -7.179 9.990 482 HD2 LYS 5 HD2 LYS 5 -3.721 -9.498 9.971 483 HD3 LYS 5 HD1 LYS 5 -2.326 -8.815 9.136 484 HE2 LYS 5 HE2 LYS 5 -3.356 -7.861 11.824 485 HE3 LYS 5 HE1 LYS 5 -1.992 -8.957 11.607 486 HZ1 LYS 5 HZ1 LYS 5 -0.735 -7.313 10.583 487 HZ2 LYS 5 HZ2 LYS 5 -1.504 -6.484 11.850 488 HZ3 LYS 5 HZ3 LYS 5 -2.078 -6.331 10.260 489 H LEU 6 HN LEU 6 -4.526 -6.866 5.305 490 HA LEU 6 HA LEU 6 -2.825 -4.680 5.714 491 HB2 LEU 6 HB2 LEU 6 -2.488 -6.263 3.886 492 HB3 LEU 6 HB1 LEU 6 -3.988 -5.732 3.126 493 HG LEU 6 HG LEU 6 -2.095 -3.558 3.771 494 HD11 LEU 6 HD11 LEU 6 -0.468 -5.225 3.075 495 HD12 LEU 6 HD12 LEU 6 -0.695 -4.078 1.754 496 HD13 LEU 6 HD13 LEU 6 -1.460 -5.666 1.685 497 HD21 LEU 6 HD21 LEU 6 -4.068 -3.045 2.511 498 HD22 LEU 6 HD22 LEU 6 -3.798 -4.398 1.413 499 HD23 LEU 6 HD23 LEU 6 -2.732 -2.994 1.360 500 H MET 7 HN MET 7 -6.030 -4.818 4.181 501 HA MET 7 HA MET 7 -6.231 -2.123 3.451 502 HB2 MET 7 HB2 MET 7 -7.801 -3.913 2.735 503 HB3 MET 7 HB1 MET 7 -8.475 -3.938 4.364 504 HG2 MET 7 HG2 MET 7 -9.903 -2.512 3.069 505 HG3 MET 7 HG1 MET 7 -8.931 -1.447 4.083 506 HE1 MET 7 HE1 MET 7 -7.327 0.881 1.876 507 HE2 MET 7 HE2 MET 7 -7.410 0.145 3.474 508 HE3 MET 7 HE3 MET 7 -8.871 0.795 2.734 509 H LYS 8 HN LYS 8 -7.227 -3.751 6.455 510 HA LYS 8 HA LYS 8 -8.334 -1.532 7.755 511 HB2 LYS 8 HB2 LYS 8 -6.936 -3.981 8.842 512 HB3 LYS 8 HB1 LYS 8 -7.741 -2.792 9.867 513 HG2 LYS 8 HG2 LYS 8 -9.853 -3.166 8.646 514 HG3 LYS 8 HG1 LYS 8 -9.051 -4.359 7.625 515 HD2 LYS 8 HD2 LYS 8 -8.572 -5.752 9.584 516 HD3 LYS 8 HD1 LYS 8 -9.307 -4.546 10.641 517 HE2 LYS 8 HE2 LYS 8 -10.913 -6.341 10.184 518 HE3 LYS 8 HE1 LYS 8 -11.463 -4.839 9.440 519 HZ1 LYS 8 HZ1 LYS 8 -11.013 -5.593 7.355 520 HZ2 LYS 8 HZ2 LYS 8 -11.398 -7.071 8.100 521 HZ3 LYS 8 HZ3 LYS 8 -9.773 -6.634 7.860 522 H ALA 9 HN ALA 9 -4.998 -2.770 7.797 523 HA ALA 9 HA ALA 9 -3.913 -0.910 9.587 524 HB1 ALA 9 HB1 ALA 9 -2.634 -2.321 7.235 525 HB2 ALA 9 HB2 ALA 9 -2.653 -2.864 8.912 526 HB3 ALA 9 HB3 ALA 9 -1.741 -1.423 8.462 527 H PHE 10 HN PHE 10 -4.174 -0.779 6.039 528 HA PHE 10 HA PHE 10 -2.881 1.671 5.633 529 HB2 PHE 10 HB2 PHE 10 -3.501 0.116 3.824 530 HB3 PHE 10 HB1 PHE 10 -5.203 0.482 4.096 531 HD1 PHE 10 HD1 PHE 10 -1.937 1.982 3.121 532 HD2 PHE 10 HD2 PHE 10 -6.209 2.424 3.174 533 HE1 PHE 10 HE1 PHE 10 -1.753 3.948 1.620 534 HE2 PHE 10 HE2 PHE 10 -6.025 4.390 1.675 535 HZ PHE 10 HZ PHE 10 -3.797 5.151 0.897 536 H GLU 11 HN GLU 11 -6.328 0.976 6.202 537 HA GLU 11 HA GLU 11 -7.291 3.599 6.014 538 HB2 GLU 11 HB2 GLU 11 -8.251 1.232 7.630 539 HB3 GLU 11 HB1 GLU 11 -9.140 2.752 7.525 540 HG2 GLU 11 HG2 GLU 11 -9.339 2.540 5.120 541 HG3 GLU 11 HG1 GLU 11 -8.289 1.124 5.116 542 H SER 12 HN SER 12 -6.125 1.795 8.854 543 HA SER 12 HA SER 12 -6.577 3.785 10.774 544 HB2 SER 12 HB2 SER 12 -4.924 2.623 12.148 545 HB3 SER 12 HB1 SER 12 -5.966 1.455 11.341 546 HG SER 12 HG SER 12 -3.308 1.750 11.190 547 H LEU 13 HN LEU 13 -3.706 3.138 8.774 548 HA LEU 13 HA LEU 13 -2.053 5.157 9.790 549 HB2 LEU 13 HB2 LEU 13 -1.207 3.428 8.295 550 HB3 LEU 13 HB1 LEU 13 -2.213 4.038 6.982 551 HG LEU 13 HG LEU 13 -1.011 6.211 7.097 552 HD11 LEU 13 HD11 LEU 13 0.545 4.742 9.238 553 HD12 LEU 13 HD12 LEU 13 -0.312 6.275 9.389 554 HD13 LEU 13 HD13 LEU 13 1.163 6.181 8.427 555 HD21 LEU 13 HD21 LEU 13 0.995 3.959 6.879 556 HD22 LEU 13 HD22 LEU 13 0.940 5.464 5.961 557 HD23 LEU 13 HD23 LEU 13 -0.263 4.208 5.667 558 H LYS 14 HN LYS 14 -4.355 5.242 7.077 559 HA LYS 14 HA LYS 14 -3.900 7.884 6.273 560 HB2 LYS 14 HB2 LYS 14 -6.300 6.076 6.085 561 HB3 LYS 14 HB1 LYS 14 -6.357 7.734 5.486 562 HG2 LYS 14 HG2 LYS 14 -4.201 5.772 4.667 563 HG3 LYS 14 HG1 LYS 14 -5.702 5.977 3.763 564 HD2 LYS 14 HD2 LYS 14 -5.196 8.411 3.543 565 HD3 LYS 14 HD1 LYS 14 -3.650 8.134 4.344 566 HE2 LYS 14 HE2 LYS 14 -3.004 6.556 2.565 567 HE3 LYS 14 HE1 LYS 14 -4.548 6.834 1.758 568 HZ1 LYS 14 HZ1 LYS 14 -2.933 8.225 0.745 569 HZ2 LYS 14 HZ2 LYS 14 -2.390 8.810 2.245 570 HZ3 LYS 14 HZ3 LYS 14 -3.936 9.227 1.676 571 H SER 15 HN SER 15 -6.229 6.590 8.626 572 HA SER 15 HA SER 15 -7.484 9.003 9.299 573 HB2 SER 15 HB2 SER 15 -8.334 6.817 10.029 574 HB3 SER 15 HB1 SER 15 -6.921 6.600 11.058 575 HG SER 15 HG SER 15 -7.657 8.106 12.407 576 H PHE 16 HN PHE 16 -4.634 7.415 10.722 577 HA PHE 16 HA PHE 16 -4.110 9.278 12.743 578 HB2 PHE 16 HB2 PHE 16 -2.946 7.142 12.664 579 HB3 PHE 16 HB1 PHE 16 -2.165 7.593 11.147 580 HD1 PHE 16 HD1 PHE 16 -2.431 8.423 14.759 581 HD2 PHE 16 HD2 PHE 16 -0.257 9.046 11.106 582 HE1 PHE 16 HE1 PHE 16 -0.638 9.578 16.023 583 HE2 PHE 16 HE2 PHE 16 1.537 10.200 12.371 584 HZ PHE 16 HZ PHE 16 1.346 10.466 14.830 585 H GLN 17 HN GLN 17 -2.927 9.157 9.390 586 HA GLN 17 HA GLN 17 -1.272 11.413 9.472 587 HB2 GLN 17 HB2 GLN 17 -1.612 9.647 7.596 588 HB3 GLN 17 HB1 GLN 17 -2.893 10.724 7.037 589 HG2 GLN 17 HG2 GLN 17 -0.158 11.811 7.668 590 HG3 GLN 17 HG1 GLN 17 -0.482 11.066 6.105 591 HE21 GLN 17 HE21 GLN 17 0.057 13.959 6.695 592 HE22 GLN 17 HE22 GLN 17 -1.300 14.798 6.115 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 13.162 1.558 -6.074 2 H2 ALA 1 HT2 ALA 1 13.712 0.368 -4.993 3 H3 ALA 1 HT3 ALA 1 13.861 2.014 -4.598 4 HA ALA 1 HA ALA 1 11.375 0.410 -4.781 5 HB1 ALA 1 HB1 ALA 1 12.313 0.148 -2.635 6 HB2 ALA 1 HB2 ALA 1 11.181 1.484 -2.421 7 HB3 ALA 1 HB3 ALA 1 12.906 1.808 -2.593 8 H THR 2 HN THR 2 12.816 3.642 -4.563 9 HA THR 2 HA THR 2 11.903 5.743 -4.818 10 HB THR 2 HB THR 2 10.271 5.826 -6.813 11 HG1 THR 2 HG1 THR 2 10.160 3.938 -7.991 12 HG21 THR 2 HG21 THR 2 12.095 5.550 -8.381 13 HG22 THR 2 HG22 THR 2 12.969 4.522 -7.246 14 HG23 THR 2 HG23 THR 2 12.746 6.235 -6.892 15 H LEU 3 HN LEU 3 10.861 5.979 -2.822 16 HA LEU 3 HA LEU 3 8.363 4.931 -2.117 17 HB2 LEU 3 HB2 LEU 3 9.757 7.480 -1.278 18 HB3 LEU 3 HB1 LEU 3 8.267 6.899 -0.535 19 HG LEU 3 HG LEU 3 10.787 5.231 -0.733 20 HD11 LEU 3 HD11 LEU 3 9.752 6.980 1.516 21 HD12 LEU 3 HD12 LEU 3 11.290 7.142 0.668 22 HD13 LEU 3 HD13 LEU 3 11.005 5.756 1.721 23 HD21 LEU 3 HD21 LEU 3 8.889 3.827 -0.430 24 HD22 LEU 3 HD22 LEU 3 8.129 4.963 0.684 25 HD23 LEU 3 HD23 LEU 3 9.547 4.046 1.190 26 H GLU 4 HN GLU 4 9.183 8.038 -3.645 27 HA GLU 4 HA GLU 4 6.596 9.094 -3.806 28 HB2 GLU 4 HB2 GLU 4 8.638 10.394 -4.267 29 HB3 GLU 4 HB1 GLU 4 8.896 9.459 -5.741 30 HG2 GLU 4 HG2 GLU 4 6.766 10.257 -6.650 31 HG3 GLU 4 HG1 GLU 4 6.445 11.146 -5.162 32 H LYS 5 HN LYS 5 8.391 7.095 -6.140 33 HA LYS 5 HA LYS 5 6.457 7.021 -8.161 34 HB2 LYS 5 HB2 LYS 5 8.750 6.205 -8.478 35 HB3 LYS 5 HB1 LYS 5 8.439 4.875 -7.363 36 HG2 LYS 5 HG2 LYS 5 8.191 4.078 -9.657 37 HG3 LYS 5 HG1 LYS 5 6.614 4.084 -8.869 38 HD2 LYS 5 HD2 LYS 5 5.973 6.116 -9.974 39 HD3 LYS 5 HD1 LYS 5 7.615 6.387 -10.560 40 HE2 LYS 5 HE2 LYS 5 6.294 5.499 -12.390 41 HE3 LYS 5 HE1 LYS 5 7.430 4.254 -11.873 42 HZ1 LYS 5 HZ1 LYS 5 5.431 3.628 -10.313 43 HZ2 LYS 5 HZ2 LYS 5 5.518 3.053 -11.909 44 HZ3 LYS 5 HZ3 LYS 5 4.527 4.381 -11.534 45 H LEU 6 HN LEU 6 6.951 4.830 -5.402 46 HA LEU 6 HA LEU 6 4.898 3.015 -5.974 47 HB2 LEU 6 HB2 LEU 6 6.580 2.588 -4.251 48 HB3 LEU 6 HB1 LEU 6 5.950 3.919 -3.281 49 HG LEU 6 HG LEU 6 3.765 2.758 -3.126 50 HD11 LEU 6 HD11 LEU 6 3.718 1.483 -5.153 51 HD12 LEU 6 HD12 LEU 6 3.772 0.309 -3.838 52 HD13 LEU 6 HD13 LEU 6 5.234 0.673 -4.756 53 HD21 LEU 6 HD21 LEU 6 4.489 0.995 -1.599 54 HD22 LEU 6 HD22 LEU 6 5.558 2.387 -1.422 55 HD23 LEU 6 HD23 LEU 6 6.091 0.976 -2.336 56 H MET 7 HN MET 7 4.835 5.991 -4.023 57 HA MET 7 HA MET 7 2.165 5.860 -3.194 58 HB2 MET 7 HB2 MET 7 3.798 7.469 -2.288 59 HB3 MET 7 HB1 MET 7 3.801 8.328 -3.828 60 HG2 MET 7 HG2 MET 7 2.283 9.463 -2.297 61 HG3 MET 7 HG1 MET 7 1.339 8.698 -3.574 62 HE1 MET 7 HE1 MET 7 0.006 9.670 -0.985 63 HE2 MET 7 HE2 MET 7 -1.049 8.311 -0.603 64 HE3 MET 7 HE3 MET 7 -0.833 8.805 -2.281 65 H LYS 8 HN LYS 8 3.583 7.383 -6.081 66 HA LYS 8 HA LYS 8 1.227 8.454 -7.147 67 HB2 LYS 8 HB2 LYS 8 3.786 7.511 -8.424 68 HB3 LYS 8 HB1 LYS 8 2.457 8.154 -9.388 69 HG2 LYS 8 HG2 LYS 8 2.488 10.218 -7.984 70 HG3 LYS 8 HG1 LYS 8 3.894 9.579 -7.131 71 HD2 LYS 8 HD2 LYS 8 5.227 9.608 -9.126 72 HD3 LYS 8 HD1 LYS 8 3.819 9.935 -10.136 73 HE2 LYS 8 HE2 LYS 8 5.063 12.006 -9.816 74 HE3 LYS 8 HE1 LYS 8 3.529 12.117 -8.953 75 HZ1 LYS 8 HZ1 LYS 8 5.037 12.839 -7.394 76 HZ2 LYS 8 HZ2 LYS 8 6.241 11.743 -7.878 77 HZ3 LYS 8 HZ3 LYS 8 4.900 11.197 -6.992 78 H ALA 9 HN ALA 9 2.732 5.275 -7.684 79 HA ALA 9 HA ALA 9 0.894 4.283 -9.549 80 HB1 ALA 9 HB1 ALA 9 1.886 2.220 -9.206 81 HB2 ALA 9 HB2 ALA 9 2.074 2.481 -7.472 82 HB3 ALA 9 HB3 ALA 9 3.145 3.299 -8.609 83 H PHE 10 HN PHE 10 0.888 4.057 -5.996 84 HA PHE 10 HA PHE 10 -1.432 2.517 -5.703 85 HB2 PHE 10 HB2 PHE 10 0.071 2.961 -3.834 86 HB3 PHE 10 HB1 PHE 10 -0.321 4.679 -3.898 87 HD1 PHE 10 HD1 PHE 10 -1.801 1.299 -3.351 88 HD2 PHE 10 HD2 PHE 10 -2.244 5.538 -2.811 89 HE1 PHE 10 HE1 PHE 10 -3.763 0.908 -1.887 90 HE2 PHE 10 HE2 PHE 10 -4.207 5.146 -1.347 91 HZ PHE 10 HZ PHE 10 -4.966 2.831 -0.885 92 H GLU 11 HN GLU 11 -1.042 6.055 -5.813 93 HA GLU 11 HA GLU 11 -3.723 6.758 -5.418 94 HB2 GLU 11 HB2 GLU 11 -1.518 8.122 -6.973 95 HB3 GLU 11 HB1 GLU 11 -3.094 8.857 -6.682 96 HG2 GLU 11 HG2 GLU 11 -1.176 7.897 -4.537 97 HG3 GLU 11 HG1 GLU 11 -1.451 9.579 -4.986 98 H SER 12 HN SER 12 -1.951 6.137 -8.441 99 HA SER 12 HA SER 12 -4.035 6.668 -10.236 100 HB2 SER 12 HB2 SER 12 -1.743 4.700 -10.440 101 HB3 SER 12 HB1 SER 12 -2.797 5.135 -11.782 102 HG SER 12 HG SER 12 -0.826 6.609 -10.479 103 H LEU 13 HN LEU 13 -3.087 3.622 -8.650 104 HA LEU 13 HA LEU 13 -5.003 1.946 -9.818 105 HB2 LEU 13 HB2 LEU 13 -3.713 1.882 -7.083 106 HB3 LEU 13 HB1 LEU 13 -4.698 0.571 -7.732 107 HG LEU 13 HG LEU 13 -2.301 1.685 -9.203 108 HD11 LEU 13 HD11 LEU 13 -2.494 -0.526 -7.150 109 HD12 LEU 13 HD12 LEU 13 -1.374 0.835 -7.183 110 HD13 LEU 13 HD13 LEU 13 -1.202 -0.475 -8.349 111 HD21 LEU 13 HD21 LEU 13 -3.867 0.442 -10.592 112 HD22 LEU 13 HD22 LEU 13 -3.932 -0.867 -9.412 113 HD23 LEU 13 HD23 LEU 13 -2.447 -0.565 -10.314 114 H LYS 14 HN LYS 14 -5.166 3.857 -6.820 115 HA LYS 14 HA LYS 14 -7.723 3.077 -5.995 116 HB2 LYS 14 HB2 LYS 14 -6.181 4.354 -4.570 117 HB3 LYS 14 HB1 LYS 14 -6.356 5.754 -5.628 118 HG2 LYS 14 HG2 LYS 14 -7.834 6.035 -3.718 119 HG3 LYS 14 HG1 LYS 14 -8.817 5.741 -5.151 120 HD2 LYS 14 HD2 LYS 14 -9.095 3.401 -4.539 121 HD3 LYS 14 HD1 LYS 14 -7.994 3.594 -3.174 122 HE2 LYS 14 HE2 LYS 14 -9.541 5.227 -2.157 123 HE3 LYS 14 HE1 LYS 14 -10.644 5.030 -3.519 124 HZ1 LYS 14 HZ1 LYS 14 -9.829 2.940 -1.576 125 HZ2 LYS 14 HZ2 LYS 14 -10.764 2.645 -2.963 126 HZ3 LYS 14 HZ3 LYS 14 -11.364 3.644 -1.726 127 H SER 15 HN SER 15 -6.724 5.797 -8.060 128 HA SER 15 HA SER 15 -9.256 6.921 -8.484 129 HB2 SER 15 HB2 SER 15 -7.177 8.043 -9.157 130 HB3 SER 15 HB1 SER 15 -6.890 6.803 -10.375 131 HG SER 15 HG SER 15 -8.202 7.840 -11.633 132 H PHE 16 HN PHE 16 -7.502 4.430 -10.326 133 HA PHE 16 HA PHE 16 -9.398 4.021 -12.345 134 HB2 PHE 16 HB2 PHE 16 -7.128 3.072 -12.412 135 HB3 PHE 16 HB1 PHE 16 -7.539 1.994 -11.078 136 HD1 PHE 16 HD1 PHE 16 -8.385 2.877 -14.591 137 HD2 PHE 16 HD2 PHE 16 -8.768 -0.018 -11.441 138 HE1 PHE 16 HE1 PHE 16 -9.349 1.255 -16.200 139 HE2 PHE 16 HE2 PHE 16 -9.732 -1.640 -13.050 140 HZ PHE 16 HZ PHE 16 -10.022 -1.004 -15.429 141 H GLN 17 HN GLN 17 -9.044 2.419 -9.188 142 HA GLN 17 HA GLN 17 -11.159 0.601 -9.425 143 HB2 GLN 17 HB2 GLN 17 -9.487 1.661 -7.293 144 HB3 GLN 17 HB1 GLN 17 -11.134 1.346 -6.744 145 HG2 GLN 17 HG2 GLN 17 -9.967 -0.707 -6.443 146 HG3 GLN 17 HG1 GLN 17 -10.930 -0.926 -7.903 147 HE21 GLN 17 HE21 GLN 17 -7.659 0.377 -7.063 148 HE22 GLN 17 HE22 GLN 17 -6.875 -0.375 -8.367 149 H1 ALA 1 HT1 ALA 1 -13.162 -1.558 -6.074 150 H2 ALA 1 HT2 ALA 1 -13.712 -0.368 -4.993 151 H3 ALA 1 HT3 ALA 1 -13.861 -2.014 -4.598 152 HA ALA 1 HA ALA 1 -11.375 -0.410 -4.781 153 HB1 ALA 1 HB1 ALA 1 -12.313 -0.148 -2.635 154 HB2 ALA 1 HB2 ALA 1 -11.181 -1.484 -2.421 155 HB3 ALA 1 HB3 ALA 1 -12.906 -1.808 -2.593 156 H THR 2 HN THR 2 -12.816 -3.642 -4.563 157 HA THR 2 HA THR 2 -11.903 -5.743 -4.818 158 HB THR 2 HB THR 2 -10.271 -5.826 -6.813 159 HG1 THR 2 HG1 THR 2 -10.160 -3.938 -7.991 160 HG21 THR 2 HG21 THR 2 -12.095 -5.550 -8.381 161 HG22 THR 2 HG22 THR 2 -12.969 -4.522 -7.246 162 HG23 THR 2 HG23 THR 2 -12.746 -6.235 -6.892 163 H LEU 3 HN LEU 3 -10.861 -5.979 -2.822 164 HA LEU 3 HA LEU 3 -8.363 -4.931 -2.117 165 HB2 LEU 3 HB2 LEU 3 -9.757 -7.480 -1.278 166 HB3 LEU 3 HB1 LEU 3 -8.267 -6.899 -0.535 167 HG LEU 3 HG LEU 3 -10.787 -5.231 -0.733 168 HD11 LEU 3 HD11 LEU 3 -9.752 -6.980 1.516 169 HD12 LEU 3 HD12 LEU 3 -11.290 -7.142 0.668 170 HD13 LEU 3 HD13 LEU 3 -11.005 -5.756 1.721 171 HD21 LEU 3 HD21 LEU 3 -8.889 -3.827 -0.430 172 HD22 LEU 3 HD22 LEU 3 -8.129 -4.963 0.684 173 HD23 LEU 3 HD23 LEU 3 -9.547 -4.046 1.190 174 H GLU 4 HN GLU 4 -9.183 -8.038 -3.645 175 HA GLU 4 HA GLU 4 -6.596 -9.094 -3.806 176 HB2 GLU 4 HB2 GLU 4 -8.638 -10.394 -4.267 177 HB3 GLU 4 HB1 GLU 4 -8.896 -9.459 -5.741 178 HG2 GLU 4 HG2 GLU 4 -6.766 -10.257 -6.650 179 HG3 GLU 4 HG1 GLU 4 -6.445 -11.146 -5.162 180 H LYS 5 HN LYS 5 -8.391 -7.095 -6.140 181 HA LYS 5 HA LYS 5 -6.457 -7.021 -8.161 182 HB2 LYS 5 HB2 LYS 5 -8.750 -6.205 -8.478 183 HB3 LYS 5 HB1 LYS 5 -8.439 -4.875 -7.363 184 HG2 LYS 5 HG2 LYS 5 -8.191 -4.078 -9.657 185 HG3 LYS 5 HG1 LYS 5 -6.614 -4.084 -8.869 186 HD2 LYS 5 HD2 LYS 5 -5.973 -6.116 -9.974 187 HD3 LYS 5 HD1 LYS 5 -7.615 -6.387 -10.560 188 HE2 LYS 5 HE2 LYS 5 -6.294 -5.499 -12.390 189 HE3 LYS 5 HE1 LYS 5 -7.430 -4.254 -11.873 190 HZ1 LYS 5 HZ1 LYS 5 -5.431 -3.628 -10.313 191 HZ2 LYS 5 HZ2 LYS 5 -5.518 -3.053 -11.909 192 HZ3 LYS 5 HZ3 LYS 5 -4.527 -4.381 -11.534 193 H LEU 6 HN LEU 6 -6.951 -4.830 -5.402 194 HA LEU 6 HA LEU 6 -4.898 -3.015 -5.974 195 HB2 LEU 6 HB2 LEU 6 -6.580 -2.588 -4.251 196 HB3 LEU 6 HB1 LEU 6 -5.950 -3.919 -3.281 197 HG LEU 6 HG LEU 6 -3.765 -2.758 -3.126 198 HD11 LEU 6 HD11 LEU 6 -3.718 -1.483 -5.153 199 HD12 LEU 6 HD12 LEU 6 -3.772 -0.309 -3.838 200 HD13 LEU 6 HD13 LEU 6 -5.234 -0.673 -4.756 201 HD21 LEU 6 HD21 LEU 6 -4.489 -0.995 -1.599 202 HD22 LEU 6 HD22 LEU 6 -5.558 -2.387 -1.422 203 HD23 LEU 6 HD23 LEU 6 -6.091 -0.976 -2.336 204 H MET 7 HN MET 7 -4.835 -5.991 -4.023 205 HA MET 7 HA MET 7 -2.165 -5.860 -3.194 206 HB2 MET 7 HB2 MET 7 -3.798 -7.469 -2.288 207 HB3 MET 7 HB1 MET 7 -3.801 -8.328 -3.828 208 HG2 MET 7 HG2 MET 7 -2.283 -9.463 -2.297 209 HG3 MET 7 HG1 MET 7 -1.339 -8.698 -3.574 210 HE1 MET 7 HE1 MET 7 -0.006 -9.670 -0.985 211 HE2 MET 7 HE2 MET 7 1.049 -8.311 -0.603 212 HE3 MET 7 HE3 MET 7 0.833 -8.805 -2.281 213 H LYS 8 HN LYS 8 -3.583 -7.383 -6.081 214 HA LYS 8 HA LYS 8 -1.227 -8.454 -7.147 215 HB2 LYS 8 HB2 LYS 8 -3.786 -7.511 -8.424 216 HB3 LYS 8 HB1 LYS 8 -2.457 -8.154 -9.388 217 HG2 LYS 8 HG2 LYS 8 -2.488 -10.218 -7.984 218 HG3 LYS 8 HG1 LYS 8 -3.894 -9.579 -7.131 219 HD2 LYS 8 HD2 LYS 8 -5.227 -9.608 -9.126 220 HD3 LYS 8 HD1 LYS 8 -3.819 -9.935 -10.136 221 HE2 LYS 8 HE2 LYS 8 -5.063 -12.006 -9.816 222 HE3 LYS 8 HE1 LYS 8 -3.529 -12.117 -8.953 223 HZ1 LYS 8 HZ1 LYS 8 -5.037 -12.839 -7.394 224 HZ2 LYS 8 HZ2 LYS 8 -6.241 -11.743 -7.878 225 HZ3 LYS 8 HZ3 LYS 8 -4.900 -11.197 -6.992 226 H ALA 9 HN ALA 9 -2.732 -5.275 -7.684 227 HA ALA 9 HA ALA 9 -0.894 -4.283 -9.549 228 HB1 ALA 9 HB1 ALA 9 -1.886 -2.220 -9.206 229 HB2 ALA 9 HB2 ALA 9 -2.074 -2.481 -7.472 230 HB3 ALA 9 HB3 ALA 9 -3.145 -3.299 -8.609 231 H PHE 10 HN PHE 10 -0.888 -4.057 -5.996 232 HA PHE 10 HA PHE 10 1.432 -2.517 -5.703 233 HB2 PHE 10 HB2 PHE 10 -0.071 -2.961 -3.834 234 HB3 PHE 10 HB1 PHE 10 0.321 -4.679 -3.898 235 HD1 PHE 10 HD1 PHE 10 1.801 -1.299 -3.351 236 HD2 PHE 10 HD2 PHE 10 2.244 -5.538 -2.811 237 HE1 PHE 10 HE1 PHE 10 3.763 -0.908 -1.887 238 HE2 PHE 10 HE2 PHE 10 4.207 -5.146 -1.347 239 HZ PHE 10 HZ PHE 10 4.966 -2.831 -0.885 240 H GLU 11 HN GLU 11 1.042 -6.055 -5.813 241 HA GLU 11 HA GLU 11 3.723 -6.758 -5.418 242 HB2 GLU 11 HB2 GLU 11 1.518 -8.122 -6.973 243 HB3 GLU 11 HB1 GLU 11 3.094 -8.857 -6.682 244 HG2 GLU 11 HG2 GLU 11 1.176 -7.897 -4.537 245 HG3 GLU 11 HG1 GLU 11 1.451 -9.579 -4.986 246 H SER 12 HN SER 12 1.951 -6.137 -8.441 247 HA SER 12 HA SER 12 4.035 -6.668 -10.235 248 HB2 SER 12 HB2 SER 12 1.715 -6.330 -10.965 249 HB3 SER 12 HB1 SER 12 1.796 -4.640 -10.476 250 HG SER 12 HG SER 12 3.562 -5.845 -12.343 251 H LEU 13 HN LEU 13 3.087 -3.622 -8.650 252 HA LEU 13 HA LEU 13 5.003 -1.946 -9.818 253 HB2 LEU 13 HB2 LEU 13 3.713 -1.882 -7.083 254 HB3 LEU 13 HB1 LEU 13 4.698 -0.571 -7.732 255 HG LEU 13 HG LEU 13 2.301 -1.685 -9.203 256 HD11 LEU 13 HD11 LEU 13 2.494 0.526 -7.150 257 HD12 LEU 13 HD12 LEU 13 1.374 -0.835 -7.183 258 HD13 LEU 13 HD13 LEU 13 1.202 0.475 -8.349 259 HD21 LEU 13 HD21 LEU 13 3.867 -0.442 -10.592 260 HD22 LEU 13 HD22 LEU 13 3.932 0.867 -9.412 261 HD23 LEU 13 HD23 LEU 13 2.447 0.565 -10.314 262 H LYS 14 HN LYS 14 5.166 -3.857 -6.820 263 HA LYS 14 HA LYS 14 7.723 -3.077 -5.995 264 HB2 LYS 14 HB2 LYS 14 6.181 -4.354 -4.570 265 HB3 LYS 14 HB1 LYS 14 6.356 -5.754 -5.628 266 HG2 LYS 14 HG2 LYS 14 7.834 -6.035 -3.718 267 HG3 LYS 14 HG1 LYS 14 8.817 -5.741 -5.151 268 HD2 LYS 14 HD2 LYS 14 9.095 -3.401 -4.539 269 HD3 LYS 14 HD1 LYS 14 7.994 -3.594 -3.174 270 HE2 LYS 14 HE2 LYS 14 9.541 -5.227 -2.157 271 HE3 LYS 14 HE1 LYS 14 10.644 -5.030 -3.519 272 HZ1 LYS 14 HZ1 LYS 14 9.829 -2.940 -1.576 273 HZ2 LYS 14 HZ2 LYS 14 10.764 -2.645 -2.963 274 HZ3 LYS 14 HZ3 LYS 14 11.364 -3.644 -1.726 275 H SER 15 HN SER 15 6.724 -5.797 -8.060 276 HA SER 15 HA SER 15 9.261 -6.909 -8.479 277 HB2 SER 15 HB2 SER 15 8.305 -7.958 -10.467 278 HB3 SER 15 HB1 SER 15 7.152 -8.026 -9.138 279 HG SER 15 HG SER 15 5.956 -6.485 -10.086 280 H PHE 16 HN PHE 16 7.502 -4.430 -10.326 281 HA PHE 16 HA PHE 16 9.398 -4.021 -12.345 282 HB2 PHE 16 HB2 PHE 16 7.163 -3.065 -12.475 283 HB3 PHE 16 HB1 PHE 16 7.486 -2.050 -11.070 284 HD1 PHE 16 HD1 PHE 16 8.600 -2.756 -14.560 285 HD2 PHE 16 HD2 PHE 16 8.589 0.035 -11.295 286 HE1 PHE 16 HE1 PHE 16 9.591 -1.027 -16.035 287 HE2 PHE 16 HE2 PHE 16 9.580 1.764 -12.770 288 HZ PHE 16 HZ PHE 16 10.081 1.234 -15.140 289 H GLN 17 HN GLN 17 9.044 -2.419 -9.188 290 HA GLN 17 HA GLN 17 11.159 -0.601 -9.426 291 HB2 GLN 17 HB2 GLN 17 9.494 -1.670 -7.287 292 HB3 GLN 17 HB1 GLN 17 11.139 -1.335 -6.746 293 HG2 GLN 17 HG2 GLN 17 9.977 0.712 -6.447 294 HG3 GLN 17 HG1 GLN 17 10.896 0.927 -7.936 295 HE21 GLN 17 HE21 GLN 17 7.665 -0.409 -6.997 296 HE22 GLN 17 HE22 GLN 17 6.836 0.325 -8.283 297 H1 ALA 1 HT1 ALA 1 1.558 13.162 6.074 298 H2 ALA 1 HT2 ALA 1 0.368 13.712 4.993 299 H3 ALA 1 HT3 ALA 1 2.014 13.861 4.598 300 HA ALA 1 HA ALA 1 0.410 11.376 4.780 301 HB1 ALA 1 HB1 ALA 1 0.149 12.314 2.635 302 HB2 ALA 1 HB2 ALA 1 1.485 11.182 2.421 303 HB3 ALA 1 HB3 ALA 1 1.810 12.907 2.594 304 H THR 2 HN THR 2 3.642 12.816 4.563 305 HA THR 2 HA THR 2 5.743 11.903 4.818 306 HB THR 2 HB THR 2 5.826 10.270 6.813 307 HG1 THR 2 HG1 THR 2 3.860 10.398 8.047 308 HG21 THR 2 HG21 THR 2 5.550 12.093 8.382 309 HG22 THR 2 HG22 THR 2 4.522 12.969 7.248 310 HG23 THR 2 HG23 THR 2 6.235 12.745 6.894 311 H LEU 3 HN LEU 3 5.979 10.861 2.822 312 HA LEU 3 HA LEU 3 4.931 8.363 2.117 313 HB2 LEU 3 HB2 LEU 3 7.480 9.757 1.278 314 HB3 LEU 3 HB1 LEU 3 6.899 8.267 0.535 315 HG LEU 3 HG LEU 3 5.231 10.787 0.733 316 HD11 LEU 3 HD11 LEU 3 6.980 9.752 -1.516 317 HD12 LEU 3 HD12 LEU 3 7.142 11.290 -0.668 318 HD13 LEU 3 HD13 LEU 3 5.756 11.005 -1.721 319 HD21 LEU 3 HD21 LEU 3 3.827 8.889 0.430 320 HD22 LEU 3 HD22 LEU 3 4.963 8.129 -0.684 321 HD23 LEU 3 HD23 LEU 3 4.046 9.547 -1.190 322 H GLU 4 HN GLU 4 8.038 9.183 3.645 323 HA GLU 4 HA GLU 4 9.094 6.596 3.806 324 HB2 GLU 4 HB2 GLU 4 10.394 8.638 4.267 325 HB3 GLU 4 HB1 GLU 4 9.459 8.896 5.741 326 HG2 GLU 4 HG2 GLU 4 10.257 6.766 6.650 327 HG3 GLU 4 HG1 GLU 4 11.146 6.445 5.162 328 H LYS 5 HN LYS 5 7.095 8.391 6.140 329 HA LYS 5 HA LYS 5 7.021 6.457 8.161 330 HB2 LYS 5 HB2 LYS 5 6.205 8.750 8.478 331 HB3 LYS 5 HB1 LYS 5 4.875 8.439 7.363 332 HG2 LYS 5 HG2 LYS 5 4.078 8.191 9.657 333 HG3 LYS 5 HG1 LYS 5 4.084 6.614 8.869 334 HD2 LYS 5 HD2 LYS 5 6.116 5.973 9.974 335 HD3 LYS 5 HD1 LYS 5 6.387 7.615 10.560 336 HE2 LYS 5 HE2 LYS 5 5.499 6.293 12.390 337 HE3 LYS 5 HE1 LYS 5 4.254 7.430 11.873 338 HZ1 LYS 5 HZ1 LYS 5 3.628 5.431 10.313 339 HZ2 LYS 5 HZ2 LYS 5 3.053 5.518 11.909 340 HZ3 LYS 5 HZ3 LYS 5 4.381 4.527 11.534 341 H LEU 6 HN LEU 6 4.830 6.951 5.402 342 HA LEU 6 HA LEU 6 3.015 4.898 5.974 343 HB2 LEU 6 HB2 LEU 6 2.588 6.580 4.251 344 HB3 LEU 6 HB1 LEU 6 3.919 5.950 3.281 345 HG LEU 6 HG LEU 6 2.758 3.765 3.126 346 HD11 LEU 6 HD11 LEU 6 1.483 3.718 5.153 347 HD12 LEU 6 HD12 LEU 6 0.309 3.772 3.838 348 HD13 LEU 6 HD13 LEU 6 0.673 5.234 4.756 349 HD21 LEU 6 HD21 LEU 6 0.995 4.489 1.599 350 HD22 LEU 6 HD22 LEU 6 2.387 5.558 1.422 351 HD23 LEU 6 HD23 LEU 6 0.976 6.091 2.336 352 H MET 7 HN MET 7 5.991 4.835 4.023 353 HA MET 7 HA MET 7 5.860 2.165 3.194 354 HB2 MET 7 HB2 MET 7 7.469 3.798 2.288 355 HB3 MET 7 HB1 MET 7 8.328 3.801 3.828 356 HG2 MET 7 HG2 MET 7 9.463 2.283 2.297 357 HG3 MET 7 HG1 MET 7 8.698 1.339 3.574 358 HE1 MET 7 HE1 MET 7 9.670 0.006 0.985 359 HE2 MET 7 HE2 MET 7 8.311 -1.049 0.603 360 HE3 MET 7 HE3 MET 7 8.805 -0.833 2.281 361 H LYS 8 HN LYS 8 7.383 3.583 6.081 362 HA LYS 8 HA LYS 8 8.454 1.227 7.147 363 HB2 LYS 8 HB2 LYS 8 7.511 3.786 8.424 364 HB3 LYS 8 HB1 LYS 8 8.154 2.457 9.388 365 HG2 LYS 8 HG2 LYS 8 10.218 2.488 7.984 366 HG3 LYS 8 HG1 LYS 8 9.579 3.894 7.131 367 HD2 LYS 8 HD2 LYS 8 9.608 5.227 9.126 368 HD3 LYS 8 HD1 LYS 8 9.935 3.819 10.136 369 HE2 LYS 8 HE2 LYS 8 12.006 5.063 9.816 370 HE3 LYS 8 HE1 LYS 8 12.117 3.529 8.953 371 HZ1 LYS 8 HZ1 LYS 8 12.839 5.037 7.394 372 HZ2 LYS 8 HZ2 LYS 8 11.743 6.241 7.878 373 HZ3 LYS 8 HZ3 LYS 8 11.197 4.900 6.992 374 H ALA 9 HN ALA 9 5.275 2.732 7.684 375 HA ALA 9 HA ALA 9 4.283 0.894 9.549 376 HB1 ALA 9 HB1 ALA 9 2.220 1.886 9.206 377 HB2 ALA 9 HB2 ALA 9 2.481 2.073 7.473 378 HB3 ALA 9 HB3 ALA 9 3.299 3.146 8.608 379 H PHE 10 HN PHE 10 4.057 0.888 5.996 380 HA PHE 10 HA PHE 10 2.517 -1.432 5.703 381 HB2 PHE 10 HB2 PHE 10 2.961 0.071 3.834 382 HB3 PHE 10 HB1 PHE 10 4.679 -0.321 3.898 383 HD1 PHE 10 HD1 PHE 10 1.299 -1.801 3.351 384 HD2 PHE 10 HD2 PHE 10 5.538 -2.244 2.811 385 HE1 PHE 10 HE1 PHE 10 0.908 -3.763 1.887 386 HE2 PHE 10 HE2 PHE 10 5.146 -4.207 1.347 387 HZ PHE 10 HZ PHE 10 2.831 -4.966 0.885 388 H GLU 11 HN GLU 11 6.055 -1.042 5.813 389 HA GLU 11 HA GLU 11 6.758 -3.723 5.418 390 HB2 GLU 11 HB2 GLU 11 8.122 -1.518 6.973 391 HB3 GLU 11 HB1 GLU 11 8.857 -3.094 6.682 392 HG2 GLU 11 HG2 GLU 11 7.897 -1.176 4.537 393 HG3 GLU 11 HG1 GLU 11 9.579 -1.451 4.986 394 H SER 12 HN SER 12 6.137 -1.951 8.441 395 HA SER 12 HA SER 12 6.668 -4.035 10.236 396 HB2 SER 12 HB2 SER 12 6.328 -1.713 10.962 397 HB3 SER 12 HB1 SER 12 4.637 -1.797 10.473 398 HG SER 12 HG SER 12 5.807 -2.631 12.750 399 H LEU 13 HN LEU 13 3.622 -3.087 8.650 400 HA LEU 13 HA LEU 13 1.946 -5.003 9.818 401 HB2 LEU 13 HB2 LEU 13 1.882 -3.713 7.083 402 HB3 LEU 13 HB1 LEU 13 0.571 -4.698 7.732 403 HG LEU 13 HG LEU 13 1.685 -2.301 9.203 404 HD11 LEU 13 HD11 LEU 13 -0.526 -2.494 7.150 405 HD12 LEU 13 HD12 LEU 13 0.835 -1.374 7.183 406 HD13 LEU 13 HD13 LEU 13 -0.475 -1.201 8.349 407 HD21 LEU 13 HD21 LEU 13 0.442 -3.867 10.592 408 HD22 LEU 13 HD22 LEU 13 -0.867 -3.932 9.412 409 HD23 LEU 13 HD23 LEU 13 -0.565 -2.447 10.314 410 H LYS 14 HN LYS 14 3.857 -5.166 6.820 411 HA LYS 14 HA LYS 14 3.077 -7.723 5.995 412 HB2 LYS 14 HB2 LYS 14 4.354 -6.181 4.570 413 HB3 LYS 14 HB1 LYS 14 5.754 -6.356 5.628 414 HG2 LYS 14 HG2 LYS 14 6.035 -7.834 3.718 415 HG3 LYS 14 HG1 LYS 14 5.741 -8.817 5.151 416 HD2 LYS 14 HD2 LYS 14 3.401 -9.095 4.539 417 HD3 LYS 14 HD1 LYS 14 3.594 -7.994 3.174 418 HE2 LYS 14 HE2 LYS 14 5.227 -9.541 2.157 419 HE3 LYS 14 HE1 LYS 14 5.030 -10.644 3.519 420 HZ1 LYS 14 HZ1 LYS 14 2.940 -9.829 1.576 421 HZ2 LYS 14 HZ2 LYS 14 2.645 -10.764 2.963 422 HZ3 LYS 14 HZ3 LYS 14 3.644 -11.364 1.726 423 H SER 15 HN SER 15 5.797 -6.724 8.060 424 HA SER 15 HA SER 15 6.921 -9.256 8.484 425 HB2 SER 15 HB2 SER 15 6.821 -6.839 10.303 426 HB3 SER 15 HB1 SER 15 7.827 -8.255 10.593 427 HG SER 15 HG SER 15 9.193 -7.273 9.337 428 H PHE 16 HN PHE 16 4.430 -7.502 10.326 429 HA PHE 16 HA PHE 16 4.021 -9.398 12.345 430 HB2 PHE 16 HB2 PHE 16 3.055 -7.186 12.514 431 HB3 PHE 16 HB1 PHE 16 2.078 -7.459 11.071 432 HD1 PHE 16 HD1 PHE 16 2.677 -8.696 14.541 433 HD2 PHE 16 HD2 PHE 16 -0.028 -8.531 11.208 434 HE1 PHE 16 HE1 PHE 16 0.897 -9.716 15.935 435 HE2 PHE 16 HE2 PHE 16 -1.808 -9.551 12.602 436 HZ PHE 16 HZ PHE 16 -1.345 -10.143 14.966 437 H GLN 17 HN GLN 17 2.419 -9.044 9.188 438 HA GLN 17 HA GLN 17 0.601 -11.159 9.425 439 HB2 GLN 17 HB2 GLN 17 1.456 -9.372 7.398 440 HB3 GLN 17 HB1 GLN 17 1.567 -11.002 6.731 441 HG2 GLN 17 HG2 GLN 17 -0.677 -10.066 6.363 442 HG3 GLN 17 HG1 GLN 17 -0.752 -11.453 7.447 443 HE21 GLN 17 HE21 GLN 17 -0.406 -7.861 7.636 444 HE22 GLN 17 HE22 GLN 17 -1.351 -7.705 9.038 445 H1 ALA 1 HT1 ALA 1 -1.558 -13.162 6.074 446 H2 ALA 1 HT2 ALA 1 -0.368 -13.712 4.993 447 H3 ALA 1 HT3 ALA 1 -2.014 -13.861 4.598 448 HA ALA 1 HA ALA 1 -0.410 -11.376 4.780 449 HB1 ALA 1 HB1 ALA 1 -0.149 -12.313 2.635 450 HB2 ALA 1 HB2 ALA 1 -1.485 -11.182 2.421 451 HB3 ALA 1 HB3 ALA 1 -1.810 -12.907 2.594 452 H THR 2 HN THR 2 -3.642 -12.816 4.563 453 HA THR 2 HA THR 2 -5.743 -11.903 4.818 454 HB THR 2 HB THR 2 -5.826 -10.271 6.813 455 HG1 THR 2 HG1 THR 2 -3.936 -10.170 7.995 456 HG21 THR 2 HG21 THR 2 -5.550 -12.094 8.381 457 HG22 THR 2 HG22 THR 2 -4.522 -12.969 7.246 458 HG23 THR 2 HG23 THR 2 -6.235 -12.746 6.893 459 H LEU 3 HN LEU 3 -5.979 -10.861 2.822 460 HA LEU 3 HA LEU 3 -4.931 -8.363 2.117 461 HB2 LEU 3 HB2 LEU 3 -7.480 -9.757 1.278 462 HB3 LEU 3 HB1 LEU 3 -6.899 -8.267 0.535 463 HG LEU 3 HG LEU 3 -5.231 -10.787 0.733 464 HD11 LEU 3 HD11 LEU 3 -6.980 -9.752 -1.516 465 HD12 LEU 3 HD12 LEU 3 -7.142 -11.290 -0.668 466 HD13 LEU 3 HD13 LEU 3 -5.756 -11.005 -1.721 467 HD21 LEU 3 HD21 LEU 3 -3.827 -8.889 0.430 468 HD22 LEU 3 HD22 LEU 3 -4.963 -8.129 -0.684 469 HD23 LEU 3 HD23 LEU 3 -4.046 -9.547 -1.190 470 H GLU 4 HN GLU 4 -8.038 -9.183 3.645 471 HA GLU 4 HA GLU 4 -9.094 -6.596 3.806 472 HB2 GLU 4 HB2 GLU 4 -10.394 -8.638 4.267 473 HB3 GLU 4 HB1 GLU 4 -9.459 -8.896 5.741 474 HG2 GLU 4 HG2 GLU 4 -10.257 -6.766 6.650 475 HG3 GLU 4 HG1 GLU 4 -11.146 -6.445 5.162 476 H LYS 5 HN LYS 5 -7.095 -8.391 6.140 477 HA LYS 5 HA LYS 5 -7.021 -6.457 8.161 478 HB2 LYS 5 HB2 LYS 5 -6.205 -8.750 8.478 479 HB3 LYS 5 HB1 LYS 5 -4.875 -8.439 7.363 480 HG2 LYS 5 HG2 LYS 5 -4.078 -8.191 9.657 481 HG3 LYS 5 HG1 LYS 5 -4.084 -6.614 8.869 482 HD2 LYS 5 HD2 LYS 5 -6.116 -5.973 9.974 483 HD3 LYS 5 HD1 LYS 5 -6.387 -7.615 10.560 484 HE2 LYS 5 HE2 LYS 5 -5.499 -6.293 12.390 485 HE3 LYS 5 HE1 LYS 5 -4.254 -7.430 11.873 486 HZ1 LYS 5 HZ1 LYS 5 -3.628 -5.431 10.313 487 HZ2 LYS 5 HZ2 LYS 5 -3.053 -5.518 11.909 488 HZ3 LYS 5 HZ3 LYS 5 -4.381 -4.527 11.534 489 H LEU 6 HN LEU 6 -4.830 -6.951 5.402 490 HA LEU 6 HA LEU 6 -3.015 -4.898 5.974 491 HB2 LEU 6 HB2 LEU 6 -2.588 -6.580 4.251 492 HB3 LEU 6 HB1 LEU 6 -3.919 -5.950 3.281 493 HG LEU 6 HG LEU 6 -2.758 -3.765 3.126 494 HD11 LEU 6 HD11 LEU 6 -1.483 -3.718 5.153 495 HD12 LEU 6 HD12 LEU 6 -0.309 -3.772 3.838 496 HD13 LEU 6 HD13 LEU 6 -0.673 -5.234 4.756 497 HD21 LEU 6 HD21 LEU 6 -0.995 -4.489 1.599 498 HD22 LEU 6 HD22 LEU 6 -2.387 -5.558 1.422 499 HD23 LEU 6 HD23 LEU 6 -0.976 -6.091 2.336 500 H MET 7 HN MET 7 -5.991 -4.835 4.023 501 HA MET 7 HA MET 7 -5.860 -2.165 3.194 502 HB2 MET 7 HB2 MET 7 -7.469 -3.798 2.288 503 HB3 MET 7 HB1 MET 7 -8.328 -3.801 3.828 504 HG2 MET 7 HG2 MET 7 -9.463 -2.283 2.297 505 HG3 MET 7 HG1 MET 7 -8.698 -1.339 3.574 506 HE1 MET 7 HE1 MET 7 -9.670 -0.006 0.985 507 HE2 MET 7 HE2 MET 7 -8.311 1.049 0.603 508 HE3 MET 7 HE3 MET 7 -8.805 0.833 2.281 509 H LYS 8 HN LYS 8 -7.383 -3.583 6.081 510 HA LYS 8 HA LYS 8 -8.454 -1.227 7.147 511 HB2 LYS 8 HB2 LYS 8 -7.511 -3.786 8.424 512 HB3 LYS 8 HB1 LYS 8 -8.154 -2.457 9.388 513 HG2 LYS 8 HG2 LYS 8 -10.218 -2.488 7.984 514 HG3 LYS 8 HG1 LYS 8 -9.579 -3.894 7.131 515 HD2 LYS 8 HD2 LYS 8 -9.608 -5.227 9.126 516 HD3 LYS 8 HD1 LYS 8 -9.935 -3.819 10.136 517 HE2 LYS 8 HE2 LYS 8 -12.006 -5.063 9.816 518 HE3 LYS 8 HE1 LYS 8 -12.117 -3.529 8.953 519 HZ1 LYS 8 HZ1 LYS 8 -12.839 -5.037 7.394 520 HZ2 LYS 8 HZ2 LYS 8 -11.743 -6.241 7.878 521 HZ3 LYS 8 HZ3 LYS 8 -11.197 -4.900 6.992 522 H ALA 9 HN ALA 9 -5.275 -2.732 7.684 523 HA ALA 9 HA ALA 9 -4.283 -0.894 9.549 524 HB1 ALA 9 HB1 ALA 9 -2.220 -1.886 9.206 525 HB2 ALA 9 HB2 ALA 9 -2.481 -2.074 7.472 526 HB3 ALA 9 HB3 ALA 9 -3.299 -3.145 8.609 527 H PHE 10 HN PHE 10 -4.057 -0.888 5.996 528 HA PHE 10 HA PHE 10 -2.517 1.432 5.703 529 HB2 PHE 10 HB2 PHE 10 -2.961 -0.071 3.834 530 HB3 PHE 10 HB1 PHE 10 -4.679 0.321 3.898 531 HD1 PHE 10 HD1 PHE 10 -1.299 1.801 3.351 532 HD2 PHE 10 HD2 PHE 10 -5.538 2.244 2.811 533 HE1 PHE 10 HE1 PHE 10 -0.908 3.763 1.887 534 HE2 PHE 10 HE2 PHE 10 -5.146 4.207 1.347 535 HZ PHE 10 HZ PHE 10 -2.831 4.966 0.885 536 H GLU 11 HN GLU 11 -6.055 1.042 5.813 537 HA GLU 11 HA GLU 11 -6.758 3.723 5.418 538 HB2 GLU 11 HB2 GLU 11 -8.122 1.518 6.973 539 HB3 GLU 11 HB1 GLU 11 -8.857 3.094 6.682 540 HG2 GLU 11 HG2 GLU 11 -7.897 1.176 4.537 541 HG3 GLU 11 HG1 GLU 11 -9.579 1.451 4.986 542 H SER 12 HN SER 12 -6.137 1.951 8.441 543 HA SER 12 HA SER 12 -6.668 4.035 10.236 544 HB2 SER 12 HB2 SER 12 -6.327 1.713 10.962 545 HB3 SER 12 HB1 SER 12 -4.637 1.797 10.473 546 HG SER 12 HG SER 12 -5.036 2.214 12.740 547 H LEU 13 HN LEU 13 -3.622 3.087 8.650 548 HA LEU 13 HA LEU 13 -1.946 5.003 9.818 549 HB2 LEU 13 HB2 LEU 13 -1.882 3.713 7.083 550 HB3 LEU 13 HB1 LEU 13 -0.571 4.698 7.732 551 HG LEU 13 HG LEU 13 -1.685 2.301 9.203 552 HD11 LEU 13 HD11 LEU 13 0.525 2.494 7.150 553 HD12 LEU 13 HD12 LEU 13 -0.835 1.373 7.183 554 HD13 LEU 13 HD13 LEU 13 0.475 1.202 8.349 555 HD21 LEU 13 HD21 LEU 13 -0.442 3.867 10.592 556 HD22 LEU 13 HD22 LEU 13 0.867 3.932 9.412 557 HD23 LEU 13 HD23 LEU 13 0.565 2.447 10.314 558 H LYS 14 HN LYS 14 -3.857 5.166 6.820 559 HA LYS 14 HA LYS 14 -3.077 7.723 5.995 560 HB2 LYS 14 HB2 LYS 14 -4.354 6.181 4.570 561 HB3 LYS 14 HB1 LYS 14 -5.754 6.356 5.628 562 HG2 LYS 14 HG2 LYS 14 -6.035 7.834 3.718 563 HG3 LYS 14 HG1 LYS 14 -5.741 8.817 5.151 564 HD2 LYS 14 HD2 LYS 14 -3.401 9.095 4.539 565 HD3 LYS 14 HD1 LYS 14 -3.594 7.994 3.174 566 HE2 LYS 14 HE2 LYS 14 -5.227 9.541 2.157 567 HE3 LYS 14 HE1 LYS 14 -5.030 10.644 3.519 568 HZ1 LYS 14 HZ1 LYS 14 -2.940 9.829 1.576 569 HZ2 LYS 14 HZ2 LYS 14 -2.645 10.764 2.963 570 HZ3 LYS 14 HZ3 LYS 14 -3.644 11.364 1.726 571 H SER 15 HN SER 15 -5.797 6.724 8.060 572 HA SER 15 HA SER 15 -6.921 9.256 8.484 573 HB2 SER 15 HB2 SER 15 -6.821 6.838 10.303 574 HB3 SER 15 HB1 SER 15 -7.827 8.255 10.593 575 HG SER 15 HG SER 15 -9.118 7.663 9.019 576 H PHE 16 HN PHE 16 -4.430 7.502 10.326 577 HA PHE 16 HA PHE 16 -4.021 9.398 12.345 578 HB2 PHE 16 HB2 PHE 16 -3.055 7.187 12.516 579 HB3 PHE 16 HB1 PHE 16 -2.081 7.457 11.070 580 HD1 PHE 16 HD1 PHE 16 -2.671 8.701 14.540 581 HD2 PHE 16 HD2 PHE 16 0.027 8.523 11.202 582 HE1 PHE 16 HE1 PHE 16 -0.885 9.719 15.928 583 HE2 PHE 16 HE2 PHE 16 1.812 9.541 12.590 584 HZ PHE 16 HZ PHE 16 1.356 10.139 14.953 585 H GLN 17 HN GLN 17 -2.419 9.044 9.188 586 HA GLN 17 HA GLN 17 -0.601 11.159 9.425 587 HB2 GLN 17 HB2 GLN 17 -1.456 9.372 7.398 588 HB3 GLN 17 HB1 GLN 17 -1.568 11.002 6.731 589 HG2 GLN 17 HG2 GLN 17 0.677 10.066 6.363 590 HG3 GLN 17 HG1 GLN 17 0.751 11.454 7.447 591 HE21 GLN 17 HE21 GLN 17 0.412 7.860 7.633 592 HE22 GLN 17 HE22 GLN 17 1.355 7.705 9.035 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 13.152 -1.403 -3.383 2 H2 ALA 1 HT2 ALA 1 13.335 -0.016 -2.419 3 H3 ALA 1 HT3 ALA 1 14.088 -0.103 -3.939 4 HA ALA 1 HA ALA 1 12.115 0.150 -5.100 5 HB1 ALA 1 HB1 ALA 1 10.842 -1.546 -3.874 6 HB2 ALA 1 HB2 ALA 1 9.908 -0.053 -3.968 7 HB3 ALA 1 HB3 ALA 1 10.737 -0.482 -2.472 8 H THR 2 HN THR 2 11.862 2.243 -5.564 9 HA THR 2 HA THR 2 12.567 4.304 -3.739 10 HB THR 2 HB THR 2 11.066 4.509 -6.361 11 HG1 THR 2 HG1 THR 2 12.972 3.668 -6.884 12 HG21 THR 2 HG21 THR 2 11.836 6.816 -6.371 13 HG22 THR 2 HG22 THR 2 12.713 6.563 -4.862 14 HG23 THR 2 HG23 THR 2 10.950 6.518 -4.875 15 H LEU 3 HN LEU 3 11.383 5.212 -2.191 16 HA LEU 3 HA LEU 3 8.757 4.467 -1.571 17 HB2 LEU 3 HB2 LEU 3 10.506 6.768 -0.750 18 HB3 LEU 3 HB1 LEU 3 8.829 6.682 -0.209 19 HG LEU 3 HG LEU 3 9.340 4.304 0.564 20 HD11 LEU 3 HD11 LEU 3 11.350 3.803 -0.614 21 HD12 LEU 3 HD12 LEU 3 11.837 4.000 1.069 22 HD13 LEU 3 HD13 LEU 3 12.120 5.300 -0.088 23 HD21 LEU 3 HD21 LEU 3 10.691 6.721 1.789 24 HD22 LEU 3 HD22 LEU 3 10.617 5.159 2.604 25 HD23 LEU 3 HD23 LEU 3 9.129 6.024 2.218 26 H GLU 4 HN GLU 4 9.973 7.376 -3.222 27 HA GLU 4 HA GLU 4 7.520 8.676 -3.585 28 HB2 GLU 4 HB2 GLU 4 10.049 8.689 -5.239 29 HB3 GLU 4 HB1 GLU 4 8.676 9.748 -5.568 30 HG2 GLU 4 HG2 GLU 4 8.847 10.753 -3.371 31 HG3 GLU 4 HG1 GLU 4 10.088 9.597 -2.891 32 H LYS 5 HN LYS 5 9.210 6.364 -5.699 33 HA LYS 5 HA LYS 5 7.380 6.362 -7.818 34 HB2 LYS 5 HB2 LYS 5 9.654 5.286 -7.801 35 HB3 LYS 5 HB1 LYS 5 8.962 3.976 -6.844 36 HG2 LYS 5 HG2 LYS 5 7.485 4.721 -9.313 37 HG3 LYS 5 HG1 LYS 5 9.042 3.925 -9.543 38 HD2 LYS 5 HD2 LYS 5 8.123 2.276 -7.695 39 HD3 LYS 5 HD1 LYS 5 6.556 2.880 -8.234 40 HE2 LYS 5 HE2 LYS 5 8.659 1.804 -10.127 41 HE3 LYS 5 HE1 LYS 5 7.365 0.813 -9.455 42 HZ1 LYS 5 HZ1 LYS 5 7.192 3.061 -11.343 43 HZ2 LYS 5 HZ2 LYS 5 5.870 2.713 -10.335 44 HZ3 LYS 5 HZ3 LYS 5 6.450 1.537 -11.417 45 H LEU 6 HN LEU 6 7.505 4.308 -4.913 46 HA LEU 6 HA LEU 6 5.304 2.679 -5.493 47 HB2 LEU 6 HB2 LEU 6 6.841 2.187 -3.660 48 HB3 LEU 6 HB1 LEU 6 6.313 3.635 -2.804 49 HG LEU 6 HG LEU 6 4.128 1.829 -3.635 50 HD11 LEU 6 HD11 LEU 6 4.553 0.127 -2.000 51 HD12 LEU 6 HD12 LEU 6 5.935 1.006 -1.349 52 HD13 LEU 6 HD13 LEU 6 6.030 0.277 -2.951 53 HD21 LEU 6 HD21 LEU 6 3.521 2.294 -1.194 54 HD22 LEU 6 HD22 LEU 6 3.614 3.710 -2.241 55 HD23 LEU 6 HD23 LEU 6 4.939 3.340 -1.139 56 H MET 7 HN MET 7 5.457 5.761 -3.722 57 HA MET 7 HA MET 7 2.751 5.956 -3.035 58 HB2 MET 7 HB2 MET 7 4.500 7.443 -2.134 59 HB3 MET 7 HB1 MET 7 4.667 8.198 -3.720 60 HG2 MET 7 HG2 MET 7 3.208 9.576 -2.338 61 HG3 MET 7 HG1 MET 7 2.250 8.837 -3.621 62 HE1 MET 7 HE1 MET 7 0.023 9.234 -2.448 63 HE2 MET 7 HE2 MET 7 0.914 10.110 -1.205 64 HE3 MET 7 HE3 MET 7 -0.285 8.907 -0.736 65 H LYS 8 HN LYS 8 4.461 7.143 -5.922 66 HA LYS 8 HA LYS 8 2.290 8.383 -7.180 67 HB2 LYS 8 HB2 LYS 8 4.738 7.024 -8.319 68 HB3 LYS 8 HB1 LYS 8 3.587 7.930 -9.302 69 HG2 LYS 8 HG2 LYS 8 3.971 9.935 -7.921 70 HG3 LYS 8 HG1 LYS 8 5.118 9.034 -6.929 71 HD2 LYS 8 HD2 LYS 8 6.527 8.641 -8.925 72 HD3 LYS 8 HD1 LYS 8 5.391 9.573 -9.901 73 HE2 LYS 8 HE2 LYS 8 6.891 10.645 -7.493 74 HE3 LYS 8 HE1 LYS 8 7.334 10.944 -9.174 75 HZ1 LYS 8 HZ1 LYS 8 4.797 11.728 -7.846 76 HZ2 LYS 8 HZ2 LYS 8 5.116 11.920 -9.503 77 HZ3 LYS 8 HZ3 LYS 8 6.036 12.768 -8.354 78 H ALA 9 HN ALA 9 3.473 5.037 -7.447 79 HA ALA 9 HA ALA 9 1.634 4.123 -9.351 80 HB1 ALA 9 HB1 ALA 9 3.548 2.778 -8.741 81 HB2 ALA 9 HB2 ALA 9 2.085 1.864 -8.374 82 HB3 ALA 9 HB3 ALA 9 2.981 2.652 -7.076 83 H PHE 10 HN PHE 10 1.431 4.120 -5.797 84 HA PHE 10 HA PHE 10 -1.050 2.846 -5.547 85 HB2 PHE 10 HB2 PHE 10 0.390 3.245 -3.622 86 HB3 PHE 10 HB1 PHE 10 0.191 4.988 -3.803 87 HD1 PHE 10 HD1 PHE 10 -1.673 1.821 -3.160 88 HD2 PHE 10 HD2 PHE 10 -1.685 6.108 -2.884 89 HE1 PHE 10 HE1 PHE 10 -3.745 1.728 -1.801 90 HE2 PHE 10 HE2 PHE 10 -3.757 6.014 -1.525 91 HZ PHE 10 HZ PHE 10 -4.787 3.824 -0.983 92 H GLU 11 HN GLU 11 -0.285 6.311 -5.834 93 HA GLU 11 HA GLU 11 -2.896 7.305 -5.630 94 HB2 GLU 11 HB2 GLU 11 -0.484 8.340 -7.132 95 HB3 GLU 11 HB1 GLU 11 -1.988 9.248 -6.973 96 HG2 GLU 11 HG2 GLU 11 -0.293 8.232 -4.671 97 HG3 GLU 11 HG1 GLU 11 -0.365 9.903 -5.229 98 H SER 12 HN SER 12 -1.049 6.321 -8.510 99 HA SER 12 HA SER 12 -2.977 6.947 -10.444 100 HB2 SER 12 HB2 SER 12 -0.657 6.323 -10.996 101 HB3 SER 12 HB1 SER 12 -0.968 4.678 -10.450 102 HG SER 12 HG SER 12 -1.792 6.004 -12.750 103 H LEU 13 HN LEU 13 -2.433 3.926 -8.638 104 HA LEU 13 HA LEU 13 -4.456 2.390 -9.816 105 HB2 LEU 13 HB2 LEU 13 -2.740 1.446 -8.335 106 HB3 LEU 13 HB1 LEU 13 -3.433 2.316 -6.967 107 HG LEU 13 HG LEU 13 -5.572 1.095 -7.303 108 HD11 LEU 13 HD11 LEU 13 -5.562 0.571 -9.620 109 HD12 LEU 13 HD12 LEU 13 -5.365 -0.984 -8.811 110 HD13 LEU 13 HD13 LEU 13 -3.969 -0.179 -9.526 111 HD21 LEU 13 HD21 LEU 13 -4.166 0.111 -5.672 112 HD22 LEU 13 HD22 LEU 13 -3.007 -0.445 -6.880 113 HD23 LEU 13 HD23 LEU 13 -4.579 -1.231 -6.738 114 H LYS 14 HN LYS 14 -4.562 4.485 -6.941 115 HA LYS 14 HA LYS 14 -7.225 4.023 -6.216 116 HB2 LYS 14 HB2 LYS 14 -5.635 5.224 -4.780 117 HB3 LYS 14 HB1 LYS 14 -5.605 6.565 -5.924 118 HG2 LYS 14 HG2 LYS 14 -7.142 7.116 -4.122 119 HG3 LYS 14 HG1 LYS 14 -8.076 6.835 -5.591 120 HD2 LYS 14 HD2 LYS 14 -8.635 4.581 -4.863 121 HD3 LYS 14 HD1 LYS 14 -7.589 4.743 -3.451 122 HE2 LYS 14 HE2 LYS 14 -8.998 6.588 -2.616 123 HE3 LYS 14 HE1 LYS 14 -10.047 6.427 -4.025 124 HZ1 LYS 14 HZ1 LYS 14 -10.924 5.255 -2.091 125 HZ2 LYS 14 HZ2 LYS 14 -9.523 4.296 -2.024 126 HZ3 LYS 14 HZ3 LYS 14 -10.572 4.182 -3.356 127 H SER 15 HN SER 15 -5.846 6.493 -8.373 128 HA SER 15 HA SER 15 -8.222 7.838 -9.000 129 HB2 SER 15 HB2 SER 15 -6.007 8.701 -9.620 130 HB3 SER 15 HB1 SER 15 -5.792 7.365 -10.748 131 HG SER 15 HG SER 15 -6.776 9.609 -11.370 132 H PHE 16 HN PHE 16 -6.651 5.073 -10.599 133 HA PHE 16 HA PHE 16 -8.487 4.735 -12.687 134 HB2 PHE 16 HB2 PHE 16 -6.845 2.662 -11.212 135 HB3 PHE 16 HB1 PHE 16 -7.675 2.384 -12.741 136 HD1 PHE 16 HD1 PHE 16 -4.681 2.109 -12.319 137 HD2 PHE 16 HD2 PHE 16 -7.085 5.438 -13.588 138 HE1 PHE 16 HE1 PHE 16 -2.740 3.051 -13.538 139 HE2 PHE 16 HE2 PHE 16 -5.143 6.376 -14.804 140 HZ PHE 16 HZ PHE 16 -2.970 5.184 -14.781 141 H GLN 17 HN GLN 17 -8.449 3.304 -9.435 142 HA GLN 17 HA GLN 17 -10.728 1.701 -9.690 143 HB2 GLN 17 HB2 GLN 17 -9.044 1.763 -7.768 144 HB3 GLN 17 HB1 GLN 17 -9.957 3.140 -7.152 145 HG2 GLN 17 HG2 GLN 17 -10.770 1.080 -6.111 146 HG3 GLN 17 HG1 GLN 17 -12.017 1.752 -7.161 147 HE21 GLN 17 HE21 GLN 17 -9.212 -0.513 -7.483 148 HE22 GLN 17 HE22 GLN 17 -10.044 -1.620 -8.463 149 H1 ALA 1 HT1 ALA 1 -13.152 1.403 -3.383 150 H2 ALA 1 HT2 ALA 1 -13.335 0.016 -2.419 151 H3 ALA 1 HT3 ALA 1 -14.088 0.103 -3.939 152 HA ALA 1 HA ALA 1 -12.115 -0.150 -5.100 153 HB1 ALA 1 HB1 ALA 1 -10.842 1.546 -3.874 154 HB2 ALA 1 HB2 ALA 1 -9.908 0.053 -3.968 155 HB3 ALA 1 HB3 ALA 1 -10.737 0.482 -2.472 156 H THR 2 HN THR 2 -11.862 -2.243 -5.564 157 HA THR 2 HA THR 2 -12.567 -4.304 -3.739 158 HB THR 2 HB THR 2 -11.066 -4.509 -6.361 159 HG1 THR 2 HG1 THR 2 -12.972 -3.668 -6.884 160 HG21 THR 2 HG21 THR 2 -11.836 -6.816 -6.371 161 HG22 THR 2 HG22 THR 2 -12.713 -6.563 -4.862 162 HG23 THR 2 HG23 THR 2 -10.950 -6.518 -4.875 163 H LEU 3 HN LEU 3 -11.383 -5.212 -2.191 164 HA LEU 3 HA LEU 3 -8.757 -4.467 -1.571 165 HB2 LEU 3 HB2 LEU 3 -10.506 -6.768 -0.750 166 HB3 LEU 3 HB1 LEU 3 -8.829 -6.682 -0.209 167 HG LEU 3 HG LEU 3 -9.340 -4.304 0.564 168 HD11 LEU 3 HD11 LEU 3 -11.350 -3.803 -0.614 169 HD12 LEU 3 HD12 LEU 3 -11.837 -4.000 1.069 170 HD13 LEU 3 HD13 LEU 3 -12.120 -5.300 -0.088 171 HD21 LEU 3 HD21 LEU 3 -10.691 -6.721 1.789 172 HD22 LEU 3 HD22 LEU 3 -10.617 -5.159 2.604 173 HD23 LEU 3 HD23 LEU 3 -9.129 -6.024 2.218 174 H GLU 4 HN GLU 4 -9.973 -7.376 -3.222 175 HA GLU 4 HA GLU 4 -7.520 -8.676 -3.585 176 HB2 GLU 4 HB2 GLU 4 -10.049 -8.689 -5.239 177 HB3 GLU 4 HB1 GLU 4 -8.676 -9.748 -5.568 178 HG2 GLU 4 HG2 GLU 4 -8.847 -10.753 -3.371 179 HG3 GLU 4 HG1 GLU 4 -10.088 -9.597 -2.891 180 H LYS 5 HN LYS 5 -9.210 -6.364 -5.699 181 HA LYS 5 HA LYS 5 -7.380 -6.362 -7.818 182 HB2 LYS 5 HB2 LYS 5 -9.654 -5.286 -7.801 183 HB3 LYS 5 HB1 LYS 5 -8.962 -3.976 -6.844 184 HG2 LYS 5 HG2 LYS 5 -7.485 -4.721 -9.313 185 HG3 LYS 5 HG1 LYS 5 -9.042 -3.925 -9.543 186 HD2 LYS 5 HD2 LYS 5 -8.123 -2.276 -7.695 187 HD3 LYS 5 HD1 LYS 5 -6.556 -2.880 -8.234 188 HE2 LYS 5 HE2 LYS 5 -8.659 -1.804 -10.127 189 HE3 LYS 5 HE1 LYS 5 -7.365 -0.813 -9.455 190 HZ1 LYS 5 HZ1 LYS 5 -7.192 -3.061 -11.343 191 HZ2 LYS 5 HZ2 LYS 5 -5.870 -2.713 -10.335 192 HZ3 LYS 5 HZ3 LYS 5 -6.450 -1.537 -11.417 193 H LEU 6 HN LEU 6 -7.505 -4.308 -4.913 194 HA LEU 6 HA LEU 6 -5.304 -2.679 -5.493 195 HB2 LEU 6 HB2 LEU 6 -6.841 -2.187 -3.660 196 HB3 LEU 6 HB1 LEU 6 -6.313 -3.635 -2.804 197 HG LEU 6 HG LEU 6 -4.128 -1.829 -3.635 198 HD11 LEU 6 HD11 LEU 6 -4.553 -0.127 -2.000 199 HD12 LEU 6 HD12 LEU 6 -5.935 -1.006 -1.349 200 HD13 LEU 6 HD13 LEU 6 -6.030 -0.277 -2.951 201 HD21 LEU 6 HD21 LEU 6 -3.521 -2.294 -1.194 202 HD22 LEU 6 HD22 LEU 6 -3.614 -3.710 -2.241 203 HD23 LEU 6 HD23 LEU 6 -4.939 -3.340 -1.139 204 H MET 7 HN MET 7 -5.457 -5.761 -3.722 205 HA MET 7 HA MET 7 -2.751 -5.956 -3.035 206 HB2 MET 7 HB2 MET 7 -4.500 -7.443 -2.134 207 HB3 MET 7 HB1 MET 7 -4.667 -8.198 -3.720 208 HG2 MET 7 HG2 MET 7 -3.208 -9.576 -2.338 209 HG3 MET 7 HG1 MET 7 -2.250 -8.837 -3.621 210 HE1 MET 7 HE1 MET 7 -0.023 -9.234 -2.448 211 HE2 MET 7 HE2 MET 7 -0.914 -10.110 -1.205 212 HE3 MET 7 HE3 MET 7 0.285 -8.907 -0.736 213 H LYS 8 HN LYS 8 -4.461 -7.143 -5.922 214 HA LYS 8 HA LYS 8 -2.290 -8.383 -7.180 215 HB2 LYS 8 HB2 LYS 8 -4.738 -7.024 -8.319 216 HB3 LYS 8 HB1 LYS 8 -3.587 -7.930 -9.302 217 HG2 LYS 8 HG2 LYS 8 -3.971 -9.935 -7.921 218 HG3 LYS 8 HG1 LYS 8 -5.118 -9.034 -6.929 219 HD2 LYS 8 HD2 LYS 8 -6.527 -8.641 -8.925 220 HD3 LYS 8 HD1 LYS 8 -5.391 -9.573 -9.901 221 HE2 LYS 8 HE2 LYS 8 -6.891 -10.645 -7.493 222 HE3 LYS 8 HE1 LYS 8 -7.334 -10.944 -9.174 223 HZ1 LYS 8 HZ1 LYS 8 -4.797 -11.728 -7.846 224 HZ2 LYS 8 HZ2 LYS 8 -5.116 -11.920 -9.503 225 HZ3 LYS 8 HZ3 LYS 8 -6.036 -12.768 -8.354 226 H ALA 9 HN ALA 9 -3.473 -5.037 -7.447 227 HA ALA 9 HA ALA 9 -1.634 -4.123 -9.351 228 HB1 ALA 9 HB1 ALA 9 -3.548 -2.778 -8.741 229 HB2 ALA 9 HB2 ALA 9 -2.085 -1.864 -8.374 230 HB3 ALA 9 HB3 ALA 9 -2.981 -2.652 -7.076 231 H PHE 10 HN PHE 10 -1.431 -4.120 -5.797 232 HA PHE 10 HA PHE 10 1.050 -2.846 -5.547 233 HB2 PHE 10 HB2 PHE 10 -0.390 -3.245 -3.622 234 HB3 PHE 10 HB1 PHE 10 -0.191 -4.988 -3.803 235 HD1 PHE 10 HD1 PHE 10 1.673 -1.821 -3.160 236 HD2 PHE 10 HD2 PHE 10 1.685 -6.108 -2.884 237 HE1 PHE 10 HE1 PHE 10 3.745 -1.728 -1.801 238 HE2 PHE 10 HE2 PHE 10 3.757 -6.014 -1.525 239 HZ PHE 10 HZ PHE 10 4.787 -3.824 -0.983 240 H GLU 11 HN GLU 11 0.285 -6.311 -5.834 241 HA GLU 11 HA GLU 11 2.896 -7.305 -5.630 242 HB2 GLU 11 HB2 GLU 11 0.484 -8.340 -7.132 243 HB3 GLU 11 HB1 GLU 11 1.988 -9.248 -6.973 244 HG2 GLU 11 HG2 GLU 11 0.293 -8.232 -4.671 245 HG3 GLU 11 HG1 GLU 11 0.365 -9.903 -5.229 246 H SER 12 HN SER 12 1.049 -6.321 -8.510 247 HA SER 12 HA SER 12 2.977 -6.947 -10.444 248 HB2 SER 12 HB2 SER 12 0.897 -4.749 -10.407 249 HB3 SER 12 HB1 SER 12 1.832 -5.204 -11.829 250 HG SER 12 HG SER 12 0.276 -7.021 -10.304 251 H LEU 13 HN LEU 13 2.433 -3.926 -8.638 252 HA LEU 13 HA LEU 13 4.455 -2.390 -9.816 253 HB2 LEU 13 HB2 LEU 13 2.740 -1.446 -8.335 254 HB3 LEU 13 HB1 LEU 13 3.433 -2.316 -6.967 255 HG LEU 13 HG LEU 13 5.572 -1.095 -7.303 256 HD11 LEU 13 HD11 LEU 13 5.562 -0.571 -9.620 257 HD12 LEU 13 HD12 LEU 13 5.365 0.984 -8.811 258 HD13 LEU 13 HD13 LEU 13 3.969 0.179 -9.526 259 HD21 LEU 13 HD21 LEU 13 4.166 -0.111 -5.672 260 HD22 LEU 13 HD22 LEU 13 3.007 0.445 -6.880 261 HD23 LEU 13 HD23 LEU 13 4.579 1.231 -6.738 262 H LYS 14 HN LYS 14 4.562 -4.485 -6.941 263 HA LYS 14 HA LYS 14 7.225 -4.023 -6.216 264 HB2 LYS 14 HB2 LYS 14 5.635 -5.224 -4.780 265 HB3 LYS 14 HB1 LYS 14 5.605 -6.565 -5.924 266 HG2 LYS 14 HG2 LYS 14 7.142 -7.116 -4.122 267 HG3 LYS 14 HG1 LYS 14 8.076 -6.835 -5.591 268 HD2 LYS 14 HD2 LYS 14 8.635 -4.581 -4.863 269 HD3 LYS 14 HD1 LYS 14 7.589 -4.743 -3.451 270 HE2 LYS 14 HE2 LYS 14 8.998 -6.588 -2.616 271 HE3 LYS 14 HE1 LYS 14 10.047 -6.427 -4.025 272 HZ1 LYS 14 HZ1 LYS 14 10.924 -5.255 -2.091 273 HZ2 LYS 14 HZ2 LYS 14 9.523 -4.296 -2.024 274 HZ3 LYS 14 HZ3 LYS 14 10.572 -4.182 -3.356 275 H SER 15 HN SER 15 5.846 -6.493 -8.373 276 HA SER 15 HA SER 15 8.229 -7.828 -8.995 277 HB2 SER 15 HB2 SER 15 7.071 -8.651 -10.981 278 HB3 SER 15 HB1 SER 15 5.983 -8.680 -9.597 279 HG SER 15 HG SER 15 4.913 -6.968 -10.392 280 H PHE 16 HN PHE 16 6.651 -5.073 -10.599 281 HA PHE 16 HA PHE 16 8.474 -4.730 -12.695 282 HB2 PHE 16 HB2 PHE 16 6.335 -3.564 -12.617 283 HB3 PHE 16 HB1 PHE 16 6.843 -2.676 -11.182 284 HD1 PHE 16 HD1 PHE 16 7.655 -3.248 -14.778 285 HD2 PHE 16 HD2 PHE 16 8.103 -0.682 -11.363 286 HE1 PHE 16 HE1 PHE 16 8.678 -1.508 -16.219 287 HE2 PHE 16 HE2 PHE 16 9.128 1.056 -12.803 288 HZ PHE 16 HZ PHE 16 9.415 0.644 -15.232 289 H GLN 17 HN GLN 17 8.449 -3.304 -9.435 290 HA GLN 17 HA GLN 17 10.728 -1.701 -9.690 291 HB2 GLN 17 HB2 GLN 17 9.044 -1.763 -7.768 292 HB3 GLN 17 HB1 GLN 17 9.957 -3.140 -7.152 293 HG2 GLN 17 HG2 GLN 17 10.770 -1.080 -6.111 294 HG3 GLN 17 HG1 GLN 17 12.017 -1.752 -7.161 295 HE21 GLN 17 HE21 GLN 17 9.212 0.513 -7.483 296 HE22 GLN 17 HE22 GLN 17 10.044 1.620 -8.463 297 H1 ALA 1 HT1 ALA 1 -1.403 13.152 3.383 298 H2 ALA 1 HT2 ALA 1 -0.016 13.335 2.419 299 H3 ALA 1 HT3 ALA 1 -0.103 14.088 3.939 300 HA ALA 1 HA ALA 1 0.150 12.115 5.100 301 HB1 ALA 1 HB1 ALA 1 -1.546 10.842 3.874 302 HB2 ALA 1 HB2 ALA 1 -0.053 9.908 3.968 303 HB3 ALA 1 HB3 ALA 1 -0.482 10.737 2.472 304 H THR 2 HN THR 2 2.243 11.862 5.564 305 HA THR 2 HA THR 2 4.304 12.567 3.739 306 HB THR 2 HB THR 2 4.509 11.066 6.361 307 HG1 THR 2 HG1 THR 2 3.668 12.972 6.884 308 HG21 THR 2 HG21 THR 2 6.816 11.836 6.371 309 HG22 THR 2 HG22 THR 2 6.563 12.713 4.862 310 HG23 THR 2 HG23 THR 2 6.518 10.950 4.875 311 H LEU 3 HN LEU 3 5.212 11.383 2.191 312 HA LEU 3 HA LEU 3 4.467 8.757 1.571 313 HB2 LEU 3 HB2 LEU 3 6.768 10.506 0.750 314 HB3 LEU 3 HB1 LEU 3 6.682 8.829 0.209 315 HG LEU 3 HG LEU 3 4.304 9.340 -0.564 316 HD11 LEU 3 HD11 LEU 3 3.803 11.350 0.614 317 HD12 LEU 3 HD12 LEU 3 4.000 11.837 -1.069 318 HD13 LEU 3 HD13 LEU 3 5.300 12.120 0.088 319 HD21 LEU 3 HD21 LEU 3 6.721 10.691 -1.789 320 HD22 LEU 3 HD22 LEU 3 5.159 10.617 -2.604 321 HD23 LEU 3 HD23 LEU 3 6.024 9.129 -2.218 322 H GLU 4 HN GLU 4 7.376 9.973 3.222 323 HA GLU 4 HA GLU 4 8.676 7.520 3.585 324 HB2 GLU 4 HB2 GLU 4 8.689 10.049 5.239 325 HB3 GLU 4 HB1 GLU 4 9.748 8.676 5.568 326 HG2 GLU 4 HG2 GLU 4 10.753 8.847 3.371 327 HG3 GLU 4 HG1 GLU 4 9.597 10.088 2.891 328 H LYS 5 HN LYS 5 6.364 9.210 5.699 329 HA LYS 5 HA LYS 5 6.362 7.380 7.818 330 HB2 LYS 5 HB2 LYS 5 5.286 9.654 7.801 331 HB3 LYS 5 HB1 LYS 5 3.976 8.962 6.844 332 HG2 LYS 5 HG2 LYS 5 4.721 7.485 9.313 333 HG3 LYS 5 HG1 LYS 5 3.925 9.042 9.543 334 HD2 LYS 5 HD2 LYS 5 2.276 8.123 7.695 335 HD3 LYS 5 HD1 LYS 5 2.880 6.556 8.234 336 HE2 LYS 5 HE2 LYS 5 1.804 8.659 10.128 337 HE3 LYS 5 HE1 LYS 5 0.813 7.365 9.455 338 HZ1 LYS 5 HZ1 LYS 5 3.061 7.192 11.343 339 HZ2 LYS 5 HZ2 LYS 5 2.712 5.870 10.335 340 HZ3 LYS 5 HZ3 LYS 5 1.537 6.450 11.417 341 H LEU 6 HN LEU 6 4.308 7.505 4.913 342 HA LEU 6 HA LEU 6 2.679 5.304 5.493 343 HB2 LEU 6 HB2 LEU 6 2.187 6.841 3.660 344 HB3 LEU 6 HB1 LEU 6 3.635 6.313 2.804 345 HG LEU 6 HG LEU 6 1.829 4.128 3.635 346 HD11 LEU 6 HD11 LEU 6 0.127 4.553 2.000 347 HD12 LEU 6 HD12 LEU 6 1.006 5.935 1.349 348 HD13 LEU 6 HD13 LEU 6 0.277 6.030 2.951 349 HD21 LEU 6 HD21 LEU 6 2.294 3.521 1.194 350 HD22 LEU 6 HD22 LEU 6 3.710 3.614 2.241 351 HD23 LEU 6 HD23 LEU 6 3.340 4.939 1.139 352 H MET 7 HN MET 7 5.761 5.457 3.722 353 HA MET 7 HA MET 7 5.956 2.751 3.035 354 HB2 MET 7 HB2 MET 7 7.443 4.500 2.134 355 HB3 MET 7 HB1 MET 7 8.198 4.667 3.720 356 HG2 MET 7 HG2 MET 7 9.576 3.208 2.338 357 HG3 MET 7 HG1 MET 7 8.837 2.250 3.621 358 HE1 MET 7 HE1 MET 7 9.234 0.023 2.448 359 HE2 MET 7 HE2 MET 7 10.110 0.914 1.205 360 HE3 MET 7 HE3 MET 7 8.907 -0.285 0.736 361 H LYS 8 HN LYS 8 7.143 4.461 5.922 362 HA LYS 8 HA LYS 8 8.383 2.290 7.180 363 HB2 LYS 8 HB2 LYS 8 7.024 4.738 8.319 364 HB3 LYS 8 HB1 LYS 8 7.930 3.587 9.302 365 HG2 LYS 8 HG2 LYS 8 9.935 3.971 7.921 366 HG3 LYS 8 HG1 LYS 8 9.034 5.118 6.929 367 HD2 LYS 8 HD2 LYS 8 8.641 6.527 8.925 368 HD3 LYS 8 HD1 LYS 8 9.573 5.391 9.901 369 HE2 LYS 8 HE2 LYS 8 10.645 6.891 7.493 370 HE3 LYS 8 HE1 LYS 8 10.944 7.334 9.174 371 HZ1 LYS 8 HZ1 LYS 8 11.728 4.797 7.846 372 HZ2 LYS 8 HZ2 LYS 8 11.920 5.116 9.503 373 HZ3 LYS 8 HZ3 LYS 8 12.768 6.036 8.354 374 H ALA 9 HN ALA 9 5.037 3.473 7.447 375 HA ALA 9 HA ALA 9 4.123 1.634 9.350 376 HB1 ALA 9 HB1 ALA 9 2.779 3.550 8.738 377 HB2 ALA 9 HB2 ALA 9 1.864 2.086 8.376 378 HB3 ALA 9 HB3 ALA 9 2.651 2.979 7.074 379 H PHE 10 HN PHE 10 4.120 1.431 5.797 380 HA PHE 10 HA PHE 10 2.846 -1.050 5.547 381 HB2 PHE 10 HB2 PHE 10 3.245 0.390 3.622 382 HB3 PHE 10 HB1 PHE 10 4.988 0.191 3.803 383 HD1 PHE 10 HD1 PHE 10 1.821 -1.673 3.160 384 HD2 PHE 10 HD2 PHE 10 6.108 -1.685 2.884 385 HE1 PHE 10 HE1 PHE 10 1.728 -3.745 1.801 386 HE2 PHE 10 HE2 PHE 10 6.014 -3.757 1.525 387 HZ PHE 10 HZ PHE 10 3.824 -4.787 0.983 388 H GLU 11 HN GLU 11 6.311 -0.285 5.834 389 HA GLU 11 HA GLU 11 7.305 -2.896 5.630 390 HB2 GLU 11 HB2 GLU 11 8.340 -0.484 7.132 391 HB3 GLU 11 HB1 GLU 11 9.248 -1.988 6.973 392 HG2 GLU 11 HG2 GLU 11 8.232 -0.293 4.671 393 HG3 GLU 11 HG1 GLU 11 9.903 -0.365 5.229 394 H SER 12 HN SER 12 6.321 -1.049 8.510 395 HA SER 12 HA SER 12 6.948 -2.985 10.435 396 HB2 SER 12 HB2 SER 12 5.404 -1.812 11.904 397 HB3 SER 12 HB1 SER 12 6.317 -0.637 10.962 398 HG SER 12 HG SER 12 4.562 -0.189 9.797 399 H LEU 13 HN LEU 13 3.926 -2.433 8.638 400 HA LEU 13 HA LEU 13 2.393 -4.456 9.818 401 HB2 LEU 13 HB2 LEU 13 1.430 -2.751 8.348 402 HB3 LEU 13 HB1 LEU 13 2.312 -3.419 6.974 403 HG LEU 13 HG LEU 13 1.115 -5.571 7.270 404 HD11 LEU 13 HD11 LEU 13 0.630 -5.576 9.613 405 HD12 LEU 13 HD12 LEU 13 -0.930 -5.478 8.798 406 HD13 LEU 13 HD13 LEU 13 -0.216 -4.032 9.511 407 HD21 LEU 13 HD21 LEU 13 0.096 -4.153 5.677 408 HD22 LEU 13 HD22 LEU 13 -0.456 -3.018 6.909 409 HD23 LEU 13 HD23 LEU 13 -1.232 -4.593 6.751 410 H LYS 14 HN LYS 14 4.485 -4.562 6.941 411 HA LYS 14 HA LYS 14 4.023 -7.225 6.216 412 HB2 LYS 14 HB2 LYS 14 5.224 -5.635 4.780 413 HB3 LYS 14 HB1 LYS 14 6.565 -5.605 5.924 414 HG2 LYS 14 HG2 LYS 14 7.116 -7.142 4.122 415 HG3 LYS 14 HG1 LYS 14 6.835 -8.076 5.591 416 HD2 LYS 14 HD2 LYS 14 4.581 -8.635 4.863 417 HD3 LYS 14 HD1 LYS 14 4.743 -7.589 3.451 418 HE2 LYS 14 HE2 LYS 14 6.588 -8.998 2.616 419 HE3 LYS 14 HE1 LYS 14 6.427 -10.047 4.025 420 HZ1 LYS 14 HZ1 LYS 14 5.255 -10.924 2.091 421 HZ2 LYS 14 HZ2 LYS 14 4.296 -9.523 2.024 422 HZ3 LYS 14 HZ3 LYS 14 4.182 -10.572 3.356 423 H SER 15 HN SER 15 6.493 -5.846 8.373 424 HA SER 15 HA SER 15 7.838 -8.222 9.000 425 HB2 SER 15 HB2 SER 15 8.701 -6.007 9.621 426 HB3 SER 15 HB1 SER 15 7.365 -5.791 10.747 427 HG SER 15 HG SER 15 9.497 -6.656 11.538 428 H PHE 16 HN PHE 16 5.073 -6.651 10.599 429 HA PHE 16 HA PHE 16 4.735 -8.479 12.692 430 HB2 PHE 16 HB2 PHE 16 3.543 -6.372 12.681 431 HB3 PHE 16 HB1 PHE 16 2.689 -6.818 11.203 432 HD1 PHE 16 HD1 PHE 16 3.195 -7.809 14.765 433 HD2 PHE 16 HD2 PHE 16 0.693 -8.089 11.284 434 HE1 PHE 16 HE1 PHE 16 1.443 -8.933 16.114 435 HE2 PHE 16 HE2 PHE 16 -1.058 -9.212 12.633 436 HZ PHE 16 HZ PHE 16 -0.683 -9.634 15.048 437 H GLN 17 HN GLN 17 3.304 -8.449 9.435 438 HA GLN 17 HA GLN 17 1.701 -10.728 9.689 439 HB2 GLN 17 HB2 GLN 17 1.857 -9.001 7.759 440 HB3 GLN 17 HB1 GLN 17 3.127 -10.050 7.129 441 HG2 GLN 17 HG2 GLN 17 0.995 -10.707 6.149 442 HG3 GLN 17 HG1 GLN 17 1.543 -11.975 7.244 443 HE21 GLN 17 HE21 GLN 17 -0.404 -8.932 7.481 444 HE22 GLN 17 HE22 GLN 17 -1.587 -9.607 8.494 445 H1 ALA 1 HT1 ALA 1 1.403 -13.152 3.383 446 H2 ALA 1 HT2 ALA 1 0.016 -13.335 2.419 447 H3 ALA 1 HT3 ALA 1 0.103 -14.088 3.939 448 HA ALA 1 HA ALA 1 -0.150 -12.115 5.100 449 HB1 ALA 1 HB1 ALA 1 1.546 -10.842 3.874 450 HB2 ALA 1 HB2 ALA 1 0.053 -9.908 3.968 451 HB3 ALA 1 HB3 ALA 1 0.482 -10.737 2.472 452 H THR 2 HN THR 2 -2.243 -11.862 5.564 453 HA THR 2 HA THR 2 -4.298 -12.564 3.732 454 HB THR 2 HB THR 2 -4.493 -11.111 6.378 455 HG1 THR 2 HG1 THR 2 -3.707 -13.029 6.883 456 HG21 THR 2 HG21 THR 2 -6.808 -11.827 6.383 457 HG22 THR 2 HG22 THR 2 -6.581 -12.693 4.865 458 HG23 THR 2 HG23 THR 2 -6.506 -10.931 4.894 459 H LEU 3 HN LEU 3 -5.212 -11.383 2.191 460 HA LEU 3 HA LEU 3 -4.467 -8.757 1.571 461 HB2 LEU 3 HB2 LEU 3 -6.768 -10.506 0.750 462 HB3 LEU 3 HB1 LEU 3 -6.682 -8.829 0.209 463 HG LEU 3 HG LEU 3 -4.304 -9.340 -0.564 464 HD11 LEU 3 HD11 LEU 3 -3.803 -11.350 0.614 465 HD12 LEU 3 HD12 LEU 3 -4.000 -11.837 -1.069 466 HD13 LEU 3 HD13 LEU 3 -5.300 -12.120 0.088 467 HD21 LEU 3 HD21 LEU 3 -6.721 -10.691 -1.789 468 HD22 LEU 3 HD22 LEU 3 -5.159 -10.617 -2.604 469 HD23 LEU 3 HD23 LEU 3 -6.024 -9.129 -2.218 470 H GLU 4 HN GLU 4 -7.376 -9.973 3.222 471 HA GLU 4 HA GLU 4 -8.676 -7.520 3.585 472 HB2 GLU 4 HB2 GLU 4 -8.689 -10.049 5.239 473 HB3 GLU 4 HB1 GLU 4 -9.748 -8.676 5.568 474 HG2 GLU 4 HG2 GLU 4 -10.753 -8.847 3.371 475 HG3 GLU 4 HG1 GLU 4 -9.597 -10.088 2.891 476 H LYS 5 HN LYS 5 -6.364 -9.210 5.699 477 HA LYS 5 HA LYS 5 -6.365 -7.376 7.813 478 HB2 LYS 5 HB2 LYS 5 -4.257 -9.260 6.782 479 HB3 LYS 5 HB1 LYS 5 -3.982 -8.232 8.187 480 HG2 LYS 5 HG2 LYS 5 -6.343 -9.216 8.930 481 HG3 LYS 5 HG1 LYS 5 -5.858 -10.539 7.869 482 HD2 LYS 5 HD2 LYS 5 -4.451 -11.325 9.435 483 HD3 LYS 5 HD1 LYS 5 -3.617 -9.773 9.503 484 HE2 LYS 5 HE2 LYS 5 -6.269 -10.079 10.878 485 HE3 LYS 5 HE1 LYS 5 -4.813 -10.701 11.656 486 HZ1 LYS 5 HZ1 LYS 5 -5.570 -8.251 12.030 487 HZ2 LYS 5 HZ2 LYS 5 -4.781 -7.983 10.549 488 HZ3 LYS 5 HZ3 LYS 5 -3.922 -8.621 11.867 489 H LEU 6 HN LEU 6 -4.308 -7.505 4.913 490 HA LEU 6 HA LEU 6 -2.679 -5.304 5.493 491 HB2 LEU 6 HB2 LEU 6 -2.187 -6.841 3.660 492 HB3 LEU 6 HB1 LEU 6 -3.635 -6.313 2.804 493 HG LEU 6 HG LEU 6 -1.829 -4.128 3.635 494 HD11 LEU 6 HD11 LEU 6 -0.127 -4.553 2.000 495 HD12 LEU 6 HD12 LEU 6 -1.006 -5.935 1.349 496 HD13 LEU 6 HD13 LEU 6 -0.277 -6.030 2.951 497 HD21 LEU 6 HD21 LEU 6 -2.294 -3.521 1.194 498 HD22 LEU 6 HD22 LEU 6 -3.709 -3.614 2.241 499 HD23 LEU 6 HD23 LEU 6 -3.340 -4.939 1.139 500 H MET 7 HN MET 7 -5.761 -5.457 3.722 501 HA MET 7 HA MET 7 -5.956 -2.751 3.035 502 HB2 MET 7 HB2 MET 7 -7.443 -4.500 2.134 503 HB3 MET 7 HB1 MET 7 -8.198 -4.667 3.720 504 HG2 MET 7 HG2 MET 7 -9.576 -3.208 2.338 505 HG3 MET 7 HG1 MET 7 -8.837 -2.250 3.621 506 HE1 MET 7 HE1 MET 7 -9.234 -0.023 2.448 507 HE2 MET 7 HE2 MET 7 -10.110 -0.914 1.205 508 HE3 MET 7 HE3 MET 7 -8.907 0.285 0.736 509 H LYS 8 HN LYS 8 -7.143 -4.461 5.922 510 HA LYS 8 HA LYS 8 -8.383 -2.290 7.180 511 HB2 LYS 8 HB2 LYS 8 -7.024 -4.738 8.319 512 HB3 LYS 8 HB1 LYS 8 -7.930 -3.587 9.302 513 HG2 LYS 8 HG2 LYS 8 -9.935 -3.971 7.921 514 HG3 LYS 8 HG1 LYS 8 -9.034 -5.118 6.929 515 HD2 LYS 8 HD2 LYS 8 -8.641 -6.527 8.925 516 HD3 LYS 8 HD1 LYS 8 -9.573 -5.391 9.901 517 HE2 LYS 8 HE2 LYS 8 -10.645 -6.891 7.493 518 HE3 LYS 8 HE1 LYS 8 -10.944 -7.334 9.174 519 HZ1 LYS 8 HZ1 LYS 8 -11.728 -4.797 7.846 520 HZ2 LYS 8 HZ2 LYS 8 -11.920 -5.116 9.503 521 HZ3 LYS 8 HZ3 LYS 8 -12.768 -6.036 8.354 522 H ALA 9 HN ALA 9 -5.037 -3.473 7.447 523 HA ALA 9 HA ALA 9 -4.124 -1.633 9.350 524 HB1 ALA 9 HB1 ALA 9 -2.723 -3.481 8.828 525 HB2 ALA 9 HB2 ALA 9 -1.860 -2.053 8.258 526 HB3 ALA 9 HB3 ALA 9 -2.714 -3.084 7.110 527 H PHE 10 HN PHE 10 -4.120 -1.431 5.797 528 HA PHE 10 HA PHE 10 -2.846 1.050 5.547 529 HB2 PHE 10 HB2 PHE 10 -3.245 -0.390 3.622 530 HB3 PHE 10 HB1 PHE 10 -4.988 -0.191 3.803 531 HD1 PHE 10 HD1 PHE 10 -1.821 1.673 3.160 532 HD2 PHE 10 HD2 PHE 10 -6.108 1.685 2.884 533 HE1 PHE 10 HE1 PHE 10 -1.728 3.745 1.801 534 HE2 PHE 10 HE2 PHE 10 -6.014 3.757 1.525 535 HZ PHE 10 HZ PHE 10 -3.824 4.787 0.983 536 H GLU 11 HN GLU 11 -6.311 0.285 5.834 537 HA GLU 11 HA GLU 11 -7.305 2.896 5.630 538 HB2 GLU 11 HB2 GLU 11 -8.340 0.484 7.132 539 HB3 GLU 11 HB1 GLU 11 -9.248 1.988 6.973 540 HG2 GLU 11 HG2 GLU 11 -8.232 0.293 4.671 541 HG3 GLU 11 HG1 GLU 11 -9.903 0.365 5.229 542 H SER 12 HN SER 12 -6.321 1.049 8.510 543 HA SER 12 HA SER 12 -6.949 2.986 10.434 544 HB2 SER 12 HB2 SER 12 -5.381 1.819 11.897 545 HB3 SER 12 HB1 SER 12 -6.335 0.653 10.985 546 HG SER 12 HG SER 12 -3.637 1.273 10.854 547 H LEU 13 HN LEU 13 -3.926 2.433 8.638 548 HA LEU 13 HA LEU 13 -2.390 4.455 9.816 549 HB2 LEU 13 HB2 LEU 13 -1.446 2.740 8.335 550 HB3 LEU 13 HB1 LEU 13 -2.316 3.433 6.967 551 HG LEU 13 HG LEU 13 -1.095 5.572 7.303 552 HD11 LEU 13 HD11 LEU 13 -0.571 5.562 9.620 553 HD12 LEU 13 HD12 LEU 13 0.984 5.365 8.811 554 HD13 LEU 13 HD13 LEU 13 0.179 3.969 9.526 555 HD21 LEU 13 HD21 LEU 13 -0.111 4.166 5.672 556 HD22 LEU 13 HD22 LEU 13 0.445 3.007 6.880 557 HD23 LEU 13 HD23 LEU 13 1.231 4.579 6.738 558 H LYS 14 HN LYS 14 -4.485 4.562 6.941 559 HA LYS 14 HA LYS 14 -4.023 7.225 6.216 560 HB2 LYS 14 HB2 LYS 14 -5.224 5.635 4.780 561 HB3 LYS 14 HB1 LYS 14 -6.565 5.605 5.924 562 HG2 LYS 14 HG2 LYS 14 -7.116 7.142 4.122 563 HG3 LYS 14 HG1 LYS 14 -6.835 8.076 5.591 564 HD2 LYS 14 HD2 LYS 14 -4.581 8.635 4.863 565 HD3 LYS 14 HD1 LYS 14 -4.743 7.589 3.451 566 HE2 LYS 14 HE2 LYS 14 -6.588 8.998 2.616 567 HE3 LYS 14 HE1 LYS 14 -6.427 10.047 4.025 568 HZ1 LYS 14 HZ1 LYS 14 -5.255 10.924 2.091 569 HZ2 LYS 14 HZ2 LYS 14 -4.296 9.523 2.024 570 HZ3 LYS 14 HZ3 LYS 14 -4.182 10.572 3.356 571 H SER 15 HN SER 15 -6.493 5.846 8.373 572 HA SER 15 HA SER 15 -7.838 8.222 9.000 573 HB2 SER 15 HB2 SER 15 -8.701 6.008 9.623 574 HB3 SER 15 HB1 SER 15 -7.365 5.794 10.750 575 HG SER 15 HG SER 15 -8.229 7.249 12.073 576 H PHE 16 HN PHE 16 -5.073 6.651 10.599 577 HA PHE 16 HA PHE 16 -4.737 8.481 12.690 578 HB2 PHE 16 HB2 PHE 16 -2.859 6.634 11.242 579 HB3 PHE 16 HB1 PHE 16 -2.256 7.733 12.483 580 HD1 PHE 16 HD1 PHE 16 -3.562 4.521 11.923 581 HD2 PHE 16 HD2 PHE 16 -3.758 7.788 14.704 582 HE1 PHE 16 HE1 PHE 16 -4.358 2.971 13.687 583 HE2 PHE 16 HE2 PHE 16 -4.552 6.238 16.469 584 HZ PHE 16 HZ PHE 16 -4.852 3.829 15.960 585 H GLN 17 HN GLN 17 -3.304 8.449 9.435 586 HA GLN 17 HA GLN 17 -1.701 10.728 9.690 587 HB2 GLN 17 HB2 GLN 17 -1.763 9.044 7.768 588 HB3 GLN 17 HB1 GLN 17 -3.140 9.957 7.152 589 HG2 GLN 17 HG2 GLN 17 -1.080 10.770 6.111 590 HG3 GLN 17 HG1 GLN 17 -1.752 12.017 7.161 591 HE21 GLN 17 HE21 GLN 17 0.513 9.212 7.483 592 HE22 GLN 17 HE22 GLN 17 1.620 10.044 8.463 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 12.114 9.245 -4.840 2 H2 ALA 1 HT2 ALA 1 13.325 9.404 -6.021 3 H3 ALA 1 HT3 ALA 1 13.612 9.927 -4.431 4 HA ALA 1 HA ALA 1 14.565 7.672 -5.222 5 HB1 ALA 1 HB1 ALA 1 14.821 7.169 -2.997 6 HB2 ALA 1 HB2 ALA 1 13.109 7.395 -2.641 7 HB3 ALA 1 HB3 ALA 1 14.168 8.796 -2.801 8 H THR 2 HN THR 2 13.827 5.342 -4.399 9 HA THR 2 HA THR 2 11.798 4.479 -6.151 10 HB THR 2 HB THR 2 12.010 2.306 -4.996 11 HG1 THR 2 HG1 THR 2 13.461 2.222 -3.226 12 HG21 THR 2 HG21 THR 2 14.675 3.699 -5.371 13 HG22 THR 2 HG22 THR 2 13.694 3.038 -6.680 14 HG23 THR 2 HG23 THR 2 14.380 1.963 -5.461 15 H LEU 3 HN LEU 3 11.766 5.272 -2.714 16 HA LEU 3 HA LEU 3 9.247 4.260 -2.030 17 HB2 LEU 3 HB2 LEU 3 10.711 6.705 -1.007 18 HB3 LEU 3 HB1 LEU 3 9.286 6.003 -0.240 19 HG LEU 3 HG LEU 3 11.837 4.457 -0.776 20 HD11 LEU 3 HD11 LEU 3 12.320 6.223 0.826 21 HD12 LEU 3 HD12 LEU 3 12.195 4.692 1.693 22 HD13 LEU 3 HD13 LEU 3 10.859 5.843 1.738 23 HD21 LEU 3 HD21 LEU 3 9.904 3.013 -0.569 24 HD22 LEU 3 HD22 LEU 3 9.335 3.904 0.842 25 HD23 LEU 3 HD23 LEU 3 10.799 2.930 0.948 26 H GLU 4 HN GLU 4 10.154 7.465 -3.285 27 HA GLU 4 HA GLU 4 7.605 8.622 -3.262 28 HB2 GLU 4 HB2 GLU 4 10.014 9.101 -5.013 29 HB3 GLU 4 HB1 GLU 4 8.537 10.052 -5.163 30 HG2 GLU 4 HG2 GLU 4 9.822 11.317 -3.657 31 HG3 GLU 4 HG1 GLU 4 8.761 10.394 -2.595 32 H LYS 5 HN LYS 5 9.255 6.796 -5.832 33 HA LYS 5 HA LYS 5 7.266 6.994 -7.790 34 HB2 LYS 5 HB2 LYS 5 9.510 6.123 -8.257 35 HB3 LYS 5 HB1 LYS 5 9.181 4.709 -7.257 36 HG2 LYS 5 HG2 LYS 5 8.833 4.123 -9.596 37 HG3 LYS 5 HG1 LYS 5 7.275 4.136 -8.773 38 HD2 LYS 5 HD2 LYS 5 6.779 6.355 -9.648 39 HD3 LYS 5 HD1 LYS 5 8.383 6.461 -10.373 40 HE2 LYS 5 HE2 LYS 5 7.861 4.526 -11.813 41 HE3 LYS 5 HE1 LYS 5 6.257 4.420 -11.089 42 HZ1 LYS 5 HZ1 LYS 5 5.648 6.484 -11.988 43 HZ2 LYS 5 HZ2 LYS 5 6.427 5.663 -13.256 44 HZ3 LYS 5 HZ3 LYS 5 7.245 6.882 -12.400 45 H LEU 6 HN LEU 6 7.742 4.529 -5.266 46 HA LEU 6 HA LEU 6 5.597 2.859 -5.941 47 HB2 LEU 6 HB2 LEU 6 7.503 2.595 -4.158 48 HB3 LEU 6 HB1 LEU 6 6.327 3.339 -3.073 49 HG LEU 6 HG LEU 6 5.599 0.988 -4.822 50 HD11 LEU 6 HD11 LEU 6 7.493 0.263 -3.473 51 HD12 LEU 6 HD12 LEU 6 6.016 -0.427 -2.800 52 HD13 LEU 6 HD13 LEU 6 6.772 0.966 -2.025 53 HD21 LEU 6 HD21 LEU 6 4.417 2.440 -2.468 54 HD22 LEU 6 HD22 LEU 6 4.036 0.735 -2.707 55 HD23 LEU 6 HD23 LEU 6 3.636 1.910 -3.957 56 H MET 7 HN MET 7 5.715 5.634 -3.718 57 HA MET 7 HA MET 7 3.065 5.529 -2.823 58 HB2 MET 7 HB2 MET 7 5.072 7.746 -3.102 59 HB3 MET 7 HB1 MET 7 3.423 8.096 -2.581 60 HG2 MET 7 HG2 MET 7 4.912 5.855 -1.259 61 HG3 MET 7 HG1 MET 7 5.279 7.517 -0.793 62 HE1 MET 7 HE1 MET 7 3.521 4.753 0.723 63 HE2 MET 7 HE2 MET 7 3.012 4.637 -0.959 64 HE3 MET 7 HE3 MET 7 1.812 4.912 0.300 65 H LYS 8 HN LYS 8 4.465 7.266 -5.594 66 HA LYS 8 HA LYS 8 2.133 8.531 -6.483 67 HB2 LYS 8 HB2 LYS 8 4.557 7.539 -7.992 68 HB3 LYS 8 HB1 LYS 8 3.278 8.497 -8.739 69 HG2 LYS 8 HG2 LYS 8 3.651 10.291 -7.085 70 HG3 LYS 8 HG1 LYS 8 4.936 9.337 -6.343 71 HD2 LYS 8 HD2 LYS 8 6.217 9.389 -8.432 72 HD3 LYS 8 HD1 LYS 8 4.920 10.283 -9.224 73 HE2 LYS 8 HE2 LYS 8 6.679 11.832 -8.508 74 HE3 LYS 8 HE1 LYS 8 5.210 12.121 -7.577 75 HZ1 LYS 8 HZ1 LYS 8 7.529 11.858 -6.414 76 HZ2 LYS 8 HZ2 LYS 8 7.156 10.205 -6.525 77 HZ3 LYS 8 HZ3 LYS 8 6.115 11.260 -5.694 78 H ALA 9 HN ALA 9 3.483 5.357 -7.361 79 HA ALA 9 HA ALA 9 1.553 4.623 -9.252 80 HB1 ALA 9 HB1 ALA 9 3.511 3.290 -9.096 81 HB2 ALA 9 HB2 ALA 9 2.189 2.253 -8.563 82 HB3 ALA 9 HB3 ALA 9 3.261 2.995 -7.376 83 H PHE 10 HN PHE 10 1.638 4.056 -5.739 84 HA PHE 10 HA PHE 10 -0.738 2.589 -5.529 85 HB2 PHE 10 HB2 PHE 10 0.912 2.874 -3.688 86 HB3 PHE 10 HB1 PHE 10 0.361 4.540 -3.494 87 HD1 PHE 10 HD1 PHE 10 -0.627 0.983 -3.237 88 HD2 PHE 10 HD2 PHE 10 -1.772 5.055 -2.491 89 HE1 PHE 10 HE1 PHE 10 -2.532 0.195 -1.860 90 HE2 PHE 10 HE2 PHE 10 -3.676 4.266 -1.112 91 HZ PHE 10 HZ PHE 10 -4.056 1.836 -0.797 92 H GLU 11 HN GLU 11 -0.201 6.101 -5.306 93 HA GLU 11 HA GLU 11 -2.838 6.867 -4.762 94 HB2 GLU 11 HB2 GLU 11 -0.622 8.286 -6.250 95 HB3 GLU 11 HB1 GLU 11 -2.157 9.051 -5.840 96 HG2 GLU 11 HG2 GLU 11 -0.222 7.815 -3.858 97 HG3 GLU 11 HG1 GLU 11 -0.438 9.542 -4.137 98 H SER 12 HN SER 12 -1.178 6.470 -7.886 99 HA SER 12 HA SER 12 -3.289 7.251 -9.553 100 HB2 SER 12 HB2 SER 12 -1.087 5.226 -10.017 101 HB3 SER 12 HB1 SER 12 -2.161 5.828 -11.277 102 HG SER 12 HG SER 12 -0.318 7.283 -9.684 103 H LEU 13 HN LEU 13 -2.424 4.033 -8.296 104 HA LEU 13 HA LEU 13 -4.442 2.556 -9.558 105 HB2 LEU 13 HB2 LEU 13 -2.596 1.479 -8.386 106 HB3 LEU 13 HB1 LEU 13 -3.155 2.140 -6.849 107 HG LEU 13 HG LEU 13 -5.299 0.899 -7.133 108 HD11 LEU 13 HD11 LEU 13 -5.423 0.694 -9.524 109 HD12 LEU 13 HD12 LEU 13 -5.263 -0.941 -8.882 110 HD13 LEU 13 HD13 LEU 13 -3.866 -0.132 -9.593 111 HD21 LEU 13 HD21 LEU 13 -2.752 -0.743 -7.267 112 HD22 LEU 13 HD22 LEU 13 -4.318 -1.367 -6.747 113 HD23 LEU 13 HD23 LEU 13 -3.516 -0.107 -5.810 114 H LYS 14 HN LYS 14 -4.441 4.172 -6.386 115 HA LYS 14 HA LYS 14 -7.006 3.419 -5.559 116 HB2 LYS 14 HB2 LYS 14 -5.366 5.890 -4.979 117 HB3 LYS 14 HB1 LYS 14 -6.905 5.555 -4.190 118 HG2 LYS 14 HG2 LYS 14 -4.598 3.594 -4.192 119 HG3 LYS 14 HG1 LYS 14 -4.840 4.789 -2.919 120 HD2 LYS 14 HD2 LYS 14 -6.966 2.791 -3.735 121 HD3 LYS 14 HD1 LYS 14 -5.819 2.503 -2.430 122 HE2 LYS 14 HE2 LYS 14 -6.600 4.634 -1.355 123 HE3 LYS 14 HE1 LYS 14 -7.844 4.751 -2.599 124 HZ1 LYS 14 HZ1 LYS 14 -7.516 2.378 -0.855 125 HZ2 LYS 14 HZ2 LYS 14 -8.822 2.743 -1.879 126 HZ3 LYS 14 HZ3 LYS 14 -8.553 3.667 -0.479 127 H SER 15 HN SER 15 -5.949 6.282 -7.387 128 HA SER 15 HA SER 15 -8.442 7.539 -7.622 129 HB2 SER 15 HB2 SER 15 -6.082 7.522 -9.518 130 HB3 SER 15 HB1 SER 15 -7.463 8.605 -9.666 131 HG SER 15 HG SER 15 -5.736 8.366 -7.420 132 H PHE 16 HN PHE 16 -6.846 5.170 -9.747 133 HA PHE 16 HA PHE 16 -8.814 5.032 -11.732 134 HB2 PHE 16 HB2 PHE 16 -6.953 2.870 -10.714 135 HB3 PHE 16 HB1 PHE 16 -7.891 2.766 -12.202 136 HD1 PHE 16 HD1 PHE 16 -4.721 2.978 -11.481 137 HD2 PHE 16 HD2 PHE 16 -7.683 5.587 -13.179 138 HE1 PHE 16 HE1 PHE 16 -2.942 4.216 -12.684 139 HE2 PHE 16 HE2 PHE 16 -5.902 6.823 -14.382 140 HZ PHE 16 HZ PHE 16 -3.532 6.139 -14.134 141 H GLN 17 HN GLN 17 -8.440 3.121 -8.757 142 HA GLN 17 HA GLN 17 -10.634 1.418 -9.099 143 HB2 GLN 17 HB2 GLN 17 -8.848 1.221 -7.333 144 HB3 GLN 17 HB1 GLN 17 -9.653 2.525 -6.460 145 HG2 GLN 17 HG2 GLN 17 -10.405 0.355 -5.603 146 HG3 GLN 17 HG1 GLN 17 -11.737 1.183 -6.406 147 HE21 GLN 17 HE21 GLN 17 -12.928 -0.297 -7.607 148 HE22 GLN 17 HE22 GLN 17 -12.268 -1.574 -8.510 149 H1 ALA 1 HT1 ALA 1 -12.114 -9.245 -4.840 150 H2 ALA 1 HT2 ALA 1 -13.325 -9.404 -6.021 151 H3 ALA 1 HT3 ALA 1 -13.612 -9.927 -4.431 152 HA ALA 1 HA ALA 1 -14.565 -7.672 -5.222 153 HB1 ALA 1 HB1 ALA 1 -14.821 -7.169 -2.997 154 HB2 ALA 1 HB2 ALA 1 -13.109 -7.395 -2.641 155 HB3 ALA 1 HB3 ALA 1 -14.168 -8.796 -2.801 156 H THR 2 HN THR 2 -13.827 -5.342 -4.399 157 HA THR 2 HA THR 2 -11.798 -4.479 -6.151 158 HB THR 2 HB THR 2 -12.010 -2.306 -4.996 159 HG1 THR 2 HG1 THR 2 -13.461 -2.222 -3.226 160 HG21 THR 2 HG21 THR 2 -14.675 -3.699 -5.371 161 HG22 THR 2 HG22 THR 2 -13.694 -3.038 -6.680 162 HG23 THR 2 HG23 THR 2 -14.380 -1.963 -5.461 163 H LEU 3 HN LEU 3 -11.766 -5.272 -2.714 164 HA LEU 3 HA LEU 3 -9.247 -4.260 -2.030 165 HB2 LEU 3 HB2 LEU 3 -10.711 -6.705 -1.007 166 HB3 LEU 3 HB1 LEU 3 -9.286 -6.003 -0.240 167 HG LEU 3 HG LEU 3 -11.837 -4.457 -0.776 168 HD11 LEU 3 HD11 LEU 3 -12.320 -6.223 0.826 169 HD12 LEU 3 HD12 LEU 3 -12.195 -4.692 1.693 170 HD13 LEU 3 HD13 LEU 3 -10.859 -5.843 1.738 171 HD21 LEU 3 HD21 LEU 3 -9.904 -3.013 -0.569 172 HD22 LEU 3 HD22 LEU 3 -9.335 -3.904 0.842 173 HD23 LEU 3 HD23 LEU 3 -10.799 -2.930 0.948 174 H GLU 4 HN GLU 4 -10.154 -7.465 -3.285 175 HA GLU 4 HA GLU 4 -7.605 -8.622 -3.262 176 HB2 GLU 4 HB2 GLU 4 -10.014 -9.101 -5.013 177 HB3 GLU 4 HB1 GLU 4 -8.537 -10.052 -5.163 178 HG2 GLU 4 HG2 GLU 4 -9.822 -11.317 -3.657 179 HG3 GLU 4 HG1 GLU 4 -8.761 -10.394 -2.595 180 H LYS 5 HN LYS 5 -9.255 -6.796 -5.832 181 HA LYS 5 HA LYS 5 -7.266 -6.994 -7.790 182 HB2 LYS 5 HB2 LYS 5 -9.510 -6.123 -8.257 183 HB3 LYS 5 HB1 LYS 5 -9.181 -4.709 -7.257 184 HG2 LYS 5 HG2 LYS 5 -8.833 -4.123 -9.596 185 HG3 LYS 5 HG1 LYS 5 -7.275 -4.136 -8.773 186 HD2 LYS 5 HD2 LYS 5 -6.779 -6.355 -9.648 187 HD3 LYS 5 HD1 LYS 5 -8.383 -6.461 -10.373 188 HE2 LYS 5 HE2 LYS 5 -7.861 -4.526 -11.813 189 HE3 LYS 5 HE1 LYS 5 -6.257 -4.420 -11.089 190 HZ1 LYS 5 HZ1 LYS 5 -5.648 -6.484 -11.988 191 HZ2 LYS 5 HZ2 LYS 5 -6.427 -5.663 -13.256 192 HZ3 LYS 5 HZ3 LYS 5 -7.245 -6.882 -12.400 193 H LEU 6 HN LEU 6 -7.742 -4.529 -5.266 194 HA LEU 6 HA LEU 6 -5.597 -2.859 -5.941 195 HB2 LEU 6 HB2 LEU 6 -7.503 -2.595 -4.158 196 HB3 LEU 6 HB1 LEU 6 -6.327 -3.339 -3.073 197 HG LEU 6 HG LEU 6 -5.599 -0.988 -4.822 198 HD11 LEU 6 HD11 LEU 6 -7.493 -0.263 -3.473 199 HD12 LEU 6 HD12 LEU 6 -6.016 0.427 -2.800 200 HD13 LEU 6 HD13 LEU 6 -6.772 -0.966 -2.025 201 HD21 LEU 6 HD21 LEU 6 -4.417 -2.440 -2.468 202 HD22 LEU 6 HD22 LEU 6 -4.036 -0.735 -2.707 203 HD23 LEU 6 HD23 LEU 6 -3.636 -1.910 -3.957 204 H MET 7 HN MET 7 -5.715 -5.634 -3.718 205 HA MET 7 HA MET 7 -3.065 -5.529 -2.823 206 HB2 MET 7 HB2 MET 7 -5.072 -7.746 -3.102 207 HB3 MET 7 HB1 MET 7 -3.423 -8.096 -2.581 208 HG2 MET 7 HG2 MET 7 -4.912 -5.855 -1.259 209 HG3 MET 7 HG1 MET 7 -5.279 -7.517 -0.793 210 HE1 MET 7 HE1 MET 7 -3.521 -4.753 0.723 211 HE2 MET 7 HE2 MET 7 -3.012 -4.637 -0.959 212 HE3 MET 7 HE3 MET 7 -1.812 -4.912 0.300 213 H LYS 8 HN LYS 8 -4.465 -7.266 -5.594 214 HA LYS 8 HA LYS 8 -2.133 -8.531 -6.483 215 HB2 LYS 8 HB2 LYS 8 -4.557 -7.539 -7.992 216 HB3 LYS 8 HB1 LYS 8 -3.278 -8.497 -8.739 217 HG2 LYS 8 HG2 LYS 8 -3.651 -10.291 -7.085 218 HG3 LYS 8 HG1 LYS 8 -4.936 -9.337 -6.343 219 HD2 LYS 8 HD2 LYS 8 -6.217 -9.389 -8.432 220 HD3 LYS 8 HD1 LYS 8 -4.920 -10.283 -9.224 221 HE2 LYS 8 HE2 LYS 8 -6.679 -11.832 -8.508 222 HE3 LYS 8 HE1 LYS 8 -5.210 -12.121 -7.577 223 HZ1 LYS 8 HZ1 LYS 8 -7.529 -11.858 -6.414 224 HZ2 LYS 8 HZ2 LYS 8 -7.156 -10.205 -6.525 225 HZ3 LYS 8 HZ3 LYS 8 -6.115 -11.260 -5.694 226 H ALA 9 HN ALA 9 -3.483 -5.357 -7.361 227 HA ALA 9 HA ALA 9 -1.554 -4.623 -9.252 228 HB1 ALA 9 HB1 ALA 9 -3.512 -3.290 -9.096 229 HB2 ALA 9 HB2 ALA 9 -2.189 -2.253 -8.563 230 HB3 ALA 9 HB3 ALA 9 -3.261 -2.995 -7.376 231 H PHE 10 HN PHE 10 -1.638 -4.056 -5.739 232 HA PHE 10 HA PHE 10 0.738 -2.589 -5.529 233 HB2 PHE 10 HB2 PHE 10 -0.912 -2.874 -3.688 234 HB3 PHE 10 HB1 PHE 10 -0.361 -4.540 -3.494 235 HD1 PHE 10 HD1 PHE 10 0.627 -0.983 -3.237 236 HD2 PHE 10 HD2 PHE 10 1.772 -5.055 -2.491 237 HE1 PHE 10 HE1 PHE 10 2.532 -0.195 -1.860 238 HE2 PHE 10 HE2 PHE 10 3.676 -4.266 -1.112 239 HZ PHE 10 HZ PHE 10 4.056 -1.836 -0.797 240 H GLU 11 HN GLU 11 0.201 -6.101 -5.306 241 HA GLU 11 HA GLU 11 2.838 -6.867 -4.762 242 HB2 GLU 11 HB2 GLU 11 0.622 -8.286 -6.250 243 HB3 GLU 11 HB1 GLU 11 2.157 -9.051 -5.840 244 HG2 GLU 11 HG2 GLU 11 0.222 -7.815 -3.858 245 HG3 GLU 11 HG1 GLU 11 0.438 -9.542 -4.137 246 H SER 12 HN SER 12 1.178 -6.470 -7.886 247 HA SER 12 HA SER 12 3.296 -7.250 -9.542 248 HB2 SER 12 HB2 SER 12 2.163 -6.014 -11.318 249 HB3 SER 12 HB1 SER 12 0.985 -6.895 -10.350 250 HG SER 12 HG SER 12 0.332 -5.040 -9.439 251 H LEU 13 HN LEU 13 2.424 -4.033 -8.296 252 HA LEU 13 HA LEU 13 4.442 -2.556 -9.558 253 HB2 LEU 13 HB2 LEU 13 2.596 -1.479 -8.386 254 HB3 LEU 13 HB1 LEU 13 3.155 -2.140 -6.849 255 HG LEU 13 HG LEU 13 5.299 -0.899 -7.133 256 HD11 LEU 13 HD11 LEU 13 5.423 -0.693 -9.524 257 HD12 LEU 13 HD12 LEU 13 5.262 0.941 -8.882 258 HD13 LEU 13 HD13 LEU 13 3.866 0.132 -9.593 259 HD21 LEU 13 HD21 LEU 13 2.753 0.743 -7.267 260 HD22 LEU 13 HD22 LEU 13 4.318 1.366 -6.747 261 HD23 LEU 13 HD23 LEU 13 3.516 0.107 -5.810 262 H LYS 14 HN LYS 14 4.441 -4.172 -6.386 263 HA LYS 14 HA LYS 14 7.006 -3.419 -5.559 264 HB2 LYS 14 HB2 LYS 14 5.366 -5.890 -4.979 265 HB3 LYS 14 HB1 LYS 14 6.905 -5.555 -4.190 266 HG2 LYS 14 HG2 LYS 14 4.598 -3.594 -4.192 267 HG3 LYS 14 HG1 LYS 14 4.840 -4.789 -2.919 268 HD2 LYS 14 HD2 LYS 14 6.966 -2.791 -3.735 269 HD3 LYS 14 HD1 LYS 14 5.819 -2.503 -2.430 270 HE2 LYS 14 HE2 LYS 14 6.600 -4.634 -1.355 271 HE3 LYS 14 HE1 LYS 14 7.844 -4.751 -2.599 272 HZ1 LYS 14 HZ1 LYS 14 7.516 -2.378 -0.855 273 HZ2 LYS 14 HZ2 LYS 14 8.822 -2.743 -1.879 274 HZ3 LYS 14 HZ3 LYS 14 8.553 -3.667 -0.479 275 H SER 15 HN SER 15 5.949 -6.282 -7.387 276 HA SER 15 HA SER 15 8.448 -7.526 -7.617 277 HB2 SER 15 HB2 SER 15 7.505 -8.726 -9.524 278 HB3 SER 15 HB1 SER 15 6.315 -8.619 -8.231 279 HG SER 15 HG SER 15 5.214 -7.125 -9.356 280 H PHE 16 HN PHE 16 6.846 -5.170 -9.747 281 HA PHE 16 HA PHE 16 8.815 -5.032 -11.732 282 HB2 PHE 16 HB2 PHE 16 6.944 -2.879 -10.713 283 HB3 PHE 16 HB1 PHE 16 7.885 -2.765 -12.199 284 HD1 PHE 16 HD1 PHE 16 4.707 -3.045 -11.443 285 HD2 PHE 16 HD2 PHE 16 7.712 -5.546 -13.223 286 HE1 PHE 16 HE1 PHE 16 2.944 -4.307 -12.648 287 HE2 PHE 16 HE2 PHE 16 5.949 -6.808 -14.426 288 HZ PHE 16 HZ PHE 16 3.566 -6.189 -14.138 289 H GLN 17 HN GLN 17 8.440 -3.121 -8.757 290 HA GLN 17 HA GLN 17 10.634 -1.418 -9.099 291 HB2 GLN 17 HB2 GLN 17 8.848 -1.221 -7.333 292 HB3 GLN 17 HB1 GLN 17 9.653 -2.525 -6.460 293 HG2 GLN 17 HG2 GLN 17 10.405 -0.355 -5.603 294 HG3 GLN 17 HG1 GLN 17 11.737 -1.183 -6.406 295 HE21 GLN 17 HE21 GLN 17 12.928 0.297 -7.607 296 HE22 GLN 17 HE22 GLN 17 12.268 1.574 -8.510 297 H1 ALA 1 HT1 ALA 1 9.245 12.114 4.840 298 H2 ALA 1 HT2 ALA 1 9.404 13.325 6.021 299 H3 ALA 1 HT3 ALA 1 9.927 13.612 4.431 300 HA ALA 1 HA ALA 1 7.672 14.565 5.222 301 HB1 ALA 1 HB1 ALA 1 7.169 14.821 2.997 302 HB2 ALA 1 HB2 ALA 1 7.395 13.109 2.641 303 HB3 ALA 1 HB3 ALA 1 8.796 14.168 2.801 304 H THR 2 HN THR 2 5.342 13.827 4.399 305 HA THR 2 HA THR 2 4.479 11.798 6.151 306 HB THR 2 HB THR 2 2.306 12.010 4.996 307 HG1 THR 2 HG1 THR 2 2.222 13.461 3.226 308 HG21 THR 2 HG21 THR 2 3.699 14.675 5.371 309 HG22 THR 2 HG22 THR 2 3.038 13.694 6.680 310 HG23 THR 2 HG23 THR 2 1.963 14.380 5.461 311 H LEU 3 HN LEU 3 5.272 11.766 2.714 312 HA LEU 3 HA LEU 3 4.260 9.247 2.030 313 HB2 LEU 3 HB2 LEU 3 6.705 10.711 1.007 314 HB3 LEU 3 HB1 LEU 3 6.003 9.286 0.240 315 HG LEU 3 HG LEU 3 4.457 11.837 0.776 316 HD11 LEU 3 HD11 LEU 3 6.223 12.320 -0.826 317 HD12 LEU 3 HD12 LEU 3 4.692 12.195 -1.693 318 HD13 LEU 3 HD13 LEU 3 5.843 10.859 -1.738 319 HD21 LEU 3 HD21 LEU 3 3.013 9.904 0.569 320 HD22 LEU 3 HD22 LEU 3 3.904 9.335 -0.842 321 HD23 LEU 3 HD23 LEU 3 2.930 10.799 -0.948 322 H GLU 4 HN GLU 4 7.465 10.154 3.285 323 HA GLU 4 HA GLU 4 8.622 7.605 3.262 324 HB2 GLU 4 HB2 GLU 4 9.101 10.014 5.013 325 HB3 GLU 4 HB1 GLU 4 10.052 8.537 5.163 326 HG2 GLU 4 HG2 GLU 4 11.317 9.822 3.657 327 HG3 GLU 4 HG1 GLU 4 10.394 8.761 2.595 328 H LYS 5 HN LYS 5 6.796 9.255 5.832 329 HA LYS 5 HA LYS 5 6.994 7.266 7.790 330 HB2 LYS 5 HB2 LYS 5 6.123 9.510 8.257 331 HB3 LYS 5 HB1 LYS 5 4.709 9.181 7.257 332 HG2 LYS 5 HG2 LYS 5 4.123 8.833 9.596 333 HG3 LYS 5 HG1 LYS 5 4.136 7.275 8.773 334 HD2 LYS 5 HD2 LYS 5 6.355 6.779 9.648 335 HD3 LYS 5 HD1 LYS 5 6.461 8.383 10.373 336 HE2 LYS 5 HE2 LYS 5 4.526 7.861 11.813 337 HE3 LYS 5 HE1 LYS 5 4.420 6.257 11.089 338 HZ1 LYS 5 HZ1 LYS 5 6.484 5.648 11.988 339 HZ2 LYS 5 HZ2 LYS 5 5.663 6.427 13.256 340 HZ3 LYS 5 HZ3 LYS 5 6.882 7.245 12.400 341 H LEU 6 HN LEU 6 4.529 7.742 5.266 342 HA LEU 6 HA LEU 6 2.859 5.597 5.941 343 HB2 LEU 6 HB2 LEU 6 2.595 7.503 4.158 344 HB3 LEU 6 HB1 LEU 6 3.339 6.327 3.073 345 HG LEU 6 HG LEU 6 0.988 5.599 4.822 346 HD11 LEU 6 HD11 LEU 6 0.263 7.493 3.473 347 HD12 LEU 6 HD12 LEU 6 -0.427 6.016 2.800 348 HD13 LEU 6 HD13 LEU 6 0.966 6.772 2.025 349 HD21 LEU 6 HD21 LEU 6 2.440 4.417 2.468 350 HD22 LEU 6 HD22 LEU 6 0.735 4.036 2.707 351 HD23 LEU 6 HD23 LEU 6 1.910 3.636 3.957 352 H MET 7 HN MET 7 5.634 5.715 3.718 353 HA MET 7 HA MET 7 5.529 3.065 2.823 354 HB2 MET 7 HB2 MET 7 7.746 5.072 3.102 355 HB3 MET 7 HB1 MET 7 8.096 3.423 2.581 356 HG2 MET 7 HG2 MET 7 5.855 4.912 1.259 357 HG3 MET 7 HG1 MET 7 7.517 5.279 0.793 358 HE1 MET 7 HE1 MET 7 4.753 3.521 -0.723 359 HE2 MET 7 HE2 MET 7 4.637 3.012 0.959 360 HE3 MET 7 HE3 MET 7 4.912 1.812 -0.300 361 H LYS 8 HN LYS 8 7.266 4.465 5.594 362 HA LYS 8 HA LYS 8 8.531 2.133 6.483 363 HB2 LYS 8 HB2 LYS 8 7.539 4.557 7.992 364 HB3 LYS 8 HB1 LYS 8 8.497 3.278 8.739 365 HG2 LYS 8 HG2 LYS 8 10.291 3.651 7.085 366 HG3 LYS 8 HG1 LYS 8 9.337 4.936 6.343 367 HD2 LYS 8 HD2 LYS 8 9.389 6.217 8.432 368 HD3 LYS 8 HD1 LYS 8 10.283 4.920 9.224 369 HE2 LYS 8 HE2 LYS 8 11.832 6.679 8.508 370 HE3 LYS 8 HE1 LYS 8 12.121 5.210 7.577 371 HZ1 LYS 8 HZ1 LYS 8 11.858 7.529 6.414 372 HZ2 LYS 8 HZ2 LYS 8 10.205 7.156 6.525 373 HZ3 LYS 8 HZ3 LYS 8 11.260 6.115 5.694 374 H ALA 9 HN ALA 9 5.357 3.483 7.361 375 HA ALA 9 HA ALA 9 4.623 1.553 9.252 376 HB1 ALA 9 HB1 ALA 9 3.290 3.511 9.096 377 HB2 ALA 9 HB2 ALA 9 2.253 2.189 8.563 378 HB3 ALA 9 HB3 ALA 9 2.995 3.261 7.376 379 H PHE 10 HN PHE 10 4.056 1.638 5.739 380 HA PHE 10 HA PHE 10 2.589 -0.738 5.529 381 HB2 PHE 10 HB2 PHE 10 2.874 0.912 3.688 382 HB3 PHE 10 HB1 PHE 10 4.540 0.361 3.494 383 HD1 PHE 10 HD1 PHE 10 0.983 -0.627 3.237 384 HD2 PHE 10 HD2 PHE 10 5.055 -1.772 2.491 385 HE1 PHE 10 HE1 PHE 10 0.195 -2.532 1.860 386 HE2 PHE 10 HE2 PHE 10 4.266 -3.676 1.112 387 HZ PHE 10 HZ PHE 10 1.836 -4.056 0.797 388 H GLU 11 HN GLU 11 6.101 -0.201 5.306 389 HA GLU 11 HA GLU 11 6.867 -2.838 4.762 390 HB2 GLU 11 HB2 GLU 11 8.286 -0.622 6.250 391 HB3 GLU 11 HB1 GLU 11 9.051 -2.157 5.840 392 HG2 GLU 11 HG2 GLU 11 7.815 -0.222 3.858 393 HG3 GLU 11 HG1 GLU 11 9.542 -0.438 4.137 394 H SER 12 HN SER 12 6.470 -1.178 7.886 395 HA SER 12 HA SER 12 7.251 -3.289 9.553 396 HB2 SER 12 HB2 SER 12 5.226 -1.087 10.017 397 HB3 SER 12 HB1 SER 12 5.828 -2.160 11.277 398 HG SER 12 HG SER 12 7.596 -1.033 11.334 399 H LEU 13 HN LEU 13 4.033 -2.424 8.296 400 HA LEU 13 HA LEU 13 2.556 -4.442 9.558 401 HB2 LEU 13 HB2 LEU 13 1.479 -2.596 8.386 402 HB3 LEU 13 HB1 LEU 13 2.139 -3.155 6.849 403 HG LEU 13 HG LEU 13 0.898 -5.299 7.133 404 HD11 LEU 13 HD11 LEU 13 0.694 -5.423 9.524 405 HD12 LEU 13 HD12 LEU 13 -0.941 -5.263 8.882 406 HD13 LEU 13 HD13 LEU 13 -0.132 -3.867 9.594 407 HD21 LEU 13 HD21 LEU 13 -0.743 -2.752 7.267 408 HD22 LEU 13 HD22 LEU 13 -1.367 -4.318 6.747 409 HD23 LEU 13 HD23 LEU 13 -0.107 -3.515 5.810 410 H LYS 14 HN LYS 14 4.172 -4.441 6.386 411 HA LYS 14 HA LYS 14 3.419 -7.006 5.559 412 HB2 LYS 14 HB2 LYS 14 5.890 -5.366 4.979 413 HB3 LYS 14 HB1 LYS 14 5.555 -6.905 4.190 414 HG2 LYS 14 HG2 LYS 14 3.594 -4.598 4.192 415 HG3 LYS 14 HG1 LYS 14 4.789 -4.840 2.919 416 HD2 LYS 14 HD2 LYS 14 2.791 -6.966 3.735 417 HD3 LYS 14 HD1 LYS 14 2.503 -5.819 2.430 418 HE2 LYS 14 HE2 LYS 14 4.634 -6.600 1.355 419 HE3 LYS 14 HE1 LYS 14 4.751 -7.844 2.599 420 HZ1 LYS 14 HZ1 LYS 14 2.378 -7.516 0.855 421 HZ2 LYS 14 HZ2 LYS 14 2.743 -8.822 1.879 422 HZ3 LYS 14 HZ3 LYS 14 3.667 -8.553 0.479 423 H SER 15 HN SER 15 6.282 -5.949 7.387 424 HA SER 15 HA SER 15 7.539 -8.442 7.622 425 HB2 SER 15 HB2 SER 15 8.639 -6.338 8.250 426 HB3 SER 15 HB1 SER 15 7.512 -6.137 9.589 427 HG SER 15 HG SER 15 9.747 -7.680 9.392 428 H PHE 16 HN PHE 16 5.170 -6.846 9.747 429 HA PHE 16 HA PHE 16 5.031 -8.813 11.733 430 HB2 PHE 16 HB2 PHE 16 2.879 -6.946 10.707 431 HB3 PHE 16 HB1 PHE 16 2.754 -7.895 12.187 432 HD1 PHE 16 HD1 PHE 16 2.988 -4.721 11.485 433 HD2 PHE 16 HD2 PHE 16 5.556 -7.703 13.207 434 HE1 PHE 16 HE1 PHE 16 4.213 -2.953 12.719 435 HE2 PHE 16 HE2 PHE 16 6.780 -5.935 14.441 436 HZ PHE 16 HZ PHE 16 6.110 -3.560 14.197 437 H GLN 17 HN GLN 17 3.121 -8.440 8.757 438 HA GLN 17 HA GLN 17 1.418 -10.634 9.099 439 HB2 GLN 17 HB2 GLN 17 1.221 -8.848 7.333 440 HB3 GLN 17 HB1 GLN 17 2.525 -9.653 6.460 441 HG2 GLN 17 HG2 GLN 17 0.355 -10.405 5.603 442 HG3 GLN 17 HG1 GLN 17 1.183 -11.737 6.406 443 HE21 GLN 17 HE21 GLN 17 -0.297 -12.928 7.607 444 HE22 GLN 17 HE22 GLN 17 -1.574 -12.268 8.510 445 H1 ALA 1 HT1 ALA 1 -9.245 -12.114 4.840 446 H2 ALA 1 HT2 ALA 1 -9.404 -13.325 6.021 447 H3 ALA 1 HT3 ALA 1 -9.927 -13.612 4.431 448 HA ALA 1 HA ALA 1 -7.672 -14.565 5.222 449 HB1 ALA 1 HB1 ALA 1 -7.169 -14.821 2.997 450 HB2 ALA 1 HB2 ALA 1 -7.395 -13.109 2.641 451 HB3 ALA 1 HB3 ALA 1 -8.796 -14.168 2.801 452 H THR 2 HN THR 2 -5.342 -13.827 4.399 453 HA THR 2 HA THR 2 -4.479 -11.798 6.151 454 HB THR 2 HB THR 2 -2.306 -12.010 4.996 455 HG1 THR 2 HG1 THR 2 -2.222 -13.461 3.226 456 HG21 THR 2 HG21 THR 2 -3.699 -14.675 5.371 457 HG22 THR 2 HG22 THR 2 -3.038 -13.694 6.680 458 HG23 THR 2 HG23 THR 2 -1.963 -14.380 5.461 459 H LEU 3 HN LEU 3 -5.272 -11.766 2.714 460 HA LEU 3 HA LEU 3 -4.260 -9.247 2.030 461 HB2 LEU 3 HB2 LEU 3 -6.705 -10.711 1.007 462 HB3 LEU 3 HB1 LEU 3 -6.003 -9.286 0.240 463 HG LEU 3 HG LEU 3 -4.457 -11.837 0.776 464 HD11 LEU 3 HD11 LEU 3 -6.223 -12.320 -0.826 465 HD12 LEU 3 HD12 LEU 3 -4.692 -12.195 -1.693 466 HD13 LEU 3 HD13 LEU 3 -5.843 -10.859 -1.738 467 HD21 LEU 3 HD21 LEU 3 -3.013 -9.904 0.569 468 HD22 LEU 3 HD22 LEU 3 -3.904 -9.335 -0.842 469 HD23 LEU 3 HD23 LEU 3 -2.930 -10.799 -0.948 470 H GLU 4 HN GLU 4 -7.465 -10.154 3.285 471 HA GLU 4 HA GLU 4 -8.622 -7.605 3.262 472 HB2 GLU 4 HB2 GLU 4 -9.101 -10.014 5.013 473 HB3 GLU 4 HB1 GLU 4 -10.052 -8.537 5.163 474 HG2 GLU 4 HG2 GLU 4 -11.317 -9.822 3.657 475 HG3 GLU 4 HG1 GLU 4 -10.394 -8.761 2.595 476 H LYS 5 HN LYS 5 -6.796 -9.255 5.832 477 HA LYS 5 HA LYS 5 -6.994 -7.266 7.790 478 HB2 LYS 5 HB2 LYS 5 -6.123 -9.510 8.257 479 HB3 LYS 5 HB1 LYS 5 -4.709 -9.181 7.257 480 HG2 LYS 5 HG2 LYS 5 -4.123 -8.833 9.596 481 HG3 LYS 5 HG1 LYS 5 -4.136 -7.275 8.773 482 HD2 LYS 5 HD2 LYS 5 -6.355 -6.779 9.648 483 HD3 LYS 5 HD1 LYS 5 -6.461 -8.383 10.373 484 HE2 LYS 5 HE2 LYS 5 -4.526 -7.861 11.813 485 HE3 LYS 5 HE1 LYS 5 -4.420 -6.257 11.089 486 HZ1 LYS 5 HZ1 LYS 5 -6.484 -5.648 11.988 487 HZ2 LYS 5 HZ2 LYS 5 -5.663 -6.427 13.256 488 HZ3 LYS 5 HZ3 LYS 5 -6.882 -7.245 12.400 489 H LEU 6 HN LEU 6 -4.529 -7.742 5.266 490 HA LEU 6 HA LEU 6 -2.859 -5.597 5.941 491 HB2 LEU 6 HB2 LEU 6 -2.595 -7.503 4.158 492 HB3 LEU 6 HB1 LEU 6 -3.339 -6.327 3.073 493 HG LEU 6 HG LEU 6 -0.988 -5.599 4.822 494 HD11 LEU 6 HD11 LEU 6 -0.263 -7.493 3.473 495 HD12 LEU 6 HD12 LEU 6 0.427 -6.016 2.800 496 HD13 LEU 6 HD13 LEU 6 -0.966 -6.772 2.025 497 HD21 LEU 6 HD21 LEU 6 -2.440 -4.417 2.468 498 HD22 LEU 6 HD22 LEU 6 -0.735 -4.036 2.707 499 HD23 LEU 6 HD23 LEU 6 -1.910 -3.636 3.957 500 H MET 7 HN MET 7 -5.634 -5.715 3.718 501 HA MET 7 HA MET 7 -5.529 -3.065 2.823 502 HB2 MET 7 HB2 MET 7 -7.746 -5.072 3.102 503 HB3 MET 7 HB1 MET 7 -8.096 -3.423 2.581 504 HG2 MET 7 HG2 MET 7 -5.855 -4.912 1.259 505 HG3 MET 7 HG1 MET 7 -7.517 -5.279 0.793 506 HE1 MET 7 HE1 MET 7 -4.753 -3.521 -0.723 507 HE2 MET 7 HE2 MET 7 -4.637 -3.012 0.959 508 HE3 MET 7 HE3 MET 7 -4.912 -1.812 -0.300 509 H LYS 8 HN LYS 8 -7.266 -4.465 5.594 510 HA LYS 8 HA LYS 8 -8.531 -2.133 6.483 511 HB2 LYS 8 HB2 LYS 8 -7.539 -4.557 7.992 512 HB3 LYS 8 HB1 LYS 8 -8.497 -3.278 8.739 513 HG2 LYS 8 HG2 LYS 8 -10.291 -3.651 7.085 514 HG3 LYS 8 HG1 LYS 8 -9.337 -4.936 6.343 515 HD2 LYS 8 HD2 LYS 8 -9.389 -6.217 8.432 516 HD3 LYS 8 HD1 LYS 8 -10.283 -4.920 9.224 517 HE2 LYS 8 HE2 LYS 8 -11.832 -6.679 8.508 518 HE3 LYS 8 HE1 LYS 8 -12.121 -5.210 7.577 519 HZ1 LYS 8 HZ1 LYS 8 -11.858 -7.529 6.414 520 HZ2 LYS 8 HZ2 LYS 8 -10.205 -7.156 6.525 521 HZ3 LYS 8 HZ3 LYS 8 -11.260 -6.115 5.694 522 H ALA 9 HN ALA 9 -5.357 -3.483 7.361 523 HA ALA 9 HA ALA 9 -4.623 -1.553 9.252 524 HB1 ALA 9 HB1 ALA 9 -3.290 -3.511 9.096 525 HB2 ALA 9 HB2 ALA 9 -2.253 -2.189 8.563 526 HB3 ALA 9 HB3 ALA 9 -2.995 -3.261 7.376 527 H PHE 10 HN PHE 10 -4.056 -1.638 5.739 528 HA PHE 10 HA PHE 10 -2.589 0.738 5.529 529 HB2 PHE 10 HB2 PHE 10 -2.874 -0.912 3.688 530 HB3 PHE 10 HB1 PHE 10 -4.540 -0.361 3.494 531 HD1 PHE 10 HD1 PHE 10 -0.983 0.627 3.237 532 HD2 PHE 10 HD2 PHE 10 -5.055 1.772 2.491 533 HE1 PHE 10 HE1 PHE 10 -0.195 2.532 1.860 534 HE2 PHE 10 HE2 PHE 10 -4.266 3.676 1.112 535 HZ PHE 10 HZ PHE 10 -1.836 4.056 0.797 536 H GLU 11 HN GLU 11 -6.101 0.201 5.306 537 HA GLU 11 HA GLU 11 -6.867 2.838 4.762 538 HB2 GLU 11 HB2 GLU 11 -8.286 0.622 6.250 539 HB3 GLU 11 HB1 GLU 11 -9.051 2.157 5.840 540 HG2 GLU 11 HG2 GLU 11 -7.815 0.222 3.858 541 HG3 GLU 11 HG1 GLU 11 -9.542 0.438 4.137 542 H SER 12 HN SER 12 -6.470 1.178 7.886 543 HA SER 12 HA SER 12 -7.251 3.289 9.553 544 HB2 SER 12 HB2 SER 12 -6.894 1.005 10.383 545 HB3 SER 12 HB1 SER 12 -5.169 1.145 10.056 546 HG SER 12 HG SER 12 -5.226 2.994 11.506 547 H LEU 13 HN LEU 13 -4.033 2.424 8.296 548 HA LEU 13 HA LEU 13 -2.556 4.442 9.558 549 HB2 LEU 13 HB2 LEU 13 -1.479 2.596 8.386 550 HB3 LEU 13 HB1 LEU 13 -2.140 3.155 6.849 551 HG LEU 13 HG LEU 13 -0.899 5.299 7.133 552 HD11 LEU 13 HD11 LEU 13 -0.693 5.423 9.524 553 HD12 LEU 13 HD12 LEU 13 0.941 5.262 8.882 554 HD13 LEU 13 HD13 LEU 13 0.132 3.866 9.593 555 HD21 LEU 13 HD21 LEU 13 0.743 2.753 7.267 556 HD22 LEU 13 HD22 LEU 13 1.366 4.318 6.747 557 HD23 LEU 13 HD23 LEU 13 0.107 3.516 5.810 558 H LYS 14 HN LYS 14 -4.172 4.441 6.386 559 HA LYS 14 HA LYS 14 -3.419 7.006 5.559 560 HB2 LYS 14 HB2 LYS 14 -5.890 5.366 4.979 561 HB3 LYS 14 HB1 LYS 14 -5.555 6.905 4.190 562 HG2 LYS 14 HG2 LYS 14 -3.594 4.598 4.192 563 HG3 LYS 14 HG1 LYS 14 -4.789 4.840 2.919 564 HD2 LYS 14 HD2 LYS 14 -2.791 6.966 3.735 565 HD3 LYS 14 HD1 LYS 14 -2.503 5.819 2.430 566 HE2 LYS 14 HE2 LYS 14 -4.634 6.600 1.355 567 HE3 LYS 14 HE1 LYS 14 -4.751 7.844 2.599 568 HZ1 LYS 14 HZ1 LYS 14 -2.378 7.516 0.855 569 HZ2 LYS 14 HZ2 LYS 14 -2.743 8.822 1.879 570 HZ3 LYS 14 HZ3 LYS 14 -3.667 8.553 0.479 571 H SER 15 HN SER 15 -6.282 5.949 7.387 572 HA SER 15 HA SER 15 -7.527 8.448 7.617 573 HB2 SER 15 HB2 SER 15 -8.727 7.502 9.524 574 HB3 SER 15 HB1 SER 15 -8.619 6.312 8.232 575 HG SER 15 HG SER 15 -7.253 6.448 10.685 576 H PHE 16 HN PHE 16 -5.170 6.846 9.747 577 HA PHE 16 HA PHE 16 -5.033 8.812 11.734 578 HB2 PHE 16 HB2 PHE 16 -4.007 6.620 12.019 579 HB3 PHE 16 HB1 PHE 16 -2.868 6.956 10.715 580 HD1 PHE 16 HD1 PHE 16 -3.973 8.108 14.085 581 HD2 PHE 16 HD2 PHE 16 -0.868 8.165 11.118 582 HE1 PHE 16 HE1 PHE 16 -2.449 9.211 15.701 583 HE2 PHE 16 HE2 PHE 16 0.657 9.267 12.734 584 HZ PHE 16 HZ PHE 16 -0.134 9.790 15.026 585 H GLN 17 HN GLN 17 -3.121 8.440 8.757 586 HA GLN 17 HA GLN 17 -1.418 10.634 9.099 587 HB2 GLN 17 HB2 GLN 17 -1.221 8.848 7.333 588 HB3 GLN 17 HB1 GLN 17 -2.525 9.653 6.460 589 HG2 GLN 17 HG2 GLN 17 -0.355 10.405 5.603 590 HG3 GLN 17 HG1 GLN 17 -1.183 11.737 6.406 591 HE21 GLN 17 HE21 GLN 17 0.297 12.928 7.607 592 HE22 GLN 17 HE22 GLN 17 1.574 12.268 8.510 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 14.788 6.889 -5.608 2 H2 ALA 1 HT2 ALA 1 14.933 7.083 -3.927 3 H3 ALA 1 HT3 ALA 1 15.374 8.348 -4.972 4 HA ALA 1 HA ALA 1 13.127 8.492 -3.776 5 HB1 ALA 1 HB1 ALA 1 12.136 9.561 -5.797 6 HB2 ALA 1 HB2 ALA 1 13.412 8.837 -6.776 7 HB3 ALA 1 HB3 ALA 1 13.817 10.033 -5.545 8 H THR 2 HN THR 2 13.488 5.658 -4.084 9 HA THR 2 HA THR 2 11.578 4.533 -5.860 10 HB THR 2 HB THR 2 11.836 2.496 -4.485 11 HG1 THR 2 HG1 THR 2 12.719 2.590 -2.557 12 HG21 THR 2 HG21 THR 2 14.255 2.224 -4.825 13 HG22 THR 2 HG22 THR 2 14.437 3.971 -4.984 14 HG23 THR 2 HG23 THR 2 13.529 3.066 -6.194 15 H LEU 3 HN LEU 3 11.437 5.555 -2.473 16 HA LEU 3 HA LEU 3 8.902 4.556 -1.826 17 HB2 LEU 3 HB2 LEU 3 10.518 6.893 -0.840 18 HB3 LEU 3 HB1 LEU 3 8.886 6.607 -0.233 19 HG LEU 3 HG LEU 3 9.645 4.200 0.220 20 HD11 LEU 3 HD11 LEU 3 12.179 4.106 0.625 21 HD12 LEU 3 HD12 LEU 3 12.282 5.551 -0.381 22 HD13 LEU 3 HD13 LEU 3 11.649 4.049 -1.055 23 HD21 LEU 3 HD21 LEU 3 9.323 5.678 2.078 24 HD22 LEU 3 HD22 LEU 3 10.786 6.586 1.695 25 HD23 LEU 3 HD23 LEU 3 10.907 4.939 2.316 26 H GLU 4 HN GLU 4 9.830 7.705 -3.203 27 HA GLU 4 HA GLU 4 7.281 8.851 -3.319 28 HB2 GLU 4 HB2 GLU 4 9.362 10.109 -3.723 29 HB3 GLU 4 HB1 GLU 4 9.590 9.237 -5.239 30 HG2 GLU 4 HG2 GLU 4 7.466 10.130 -6.092 31 HG3 GLU 4 HG1 GLU 4 7.197 10.974 -4.569 32 H LYS 5 HN LYS 5 9.018 6.905 -5.741 33 HA LYS 5 HA LYS 5 7.090 6.991 -7.768 34 HB2 LYS 5 HB2 LYS 5 9.352 6.117 -8.126 35 HB3 LYS 5 HB1 LYS 5 9.004 4.751 -7.066 36 HG2 LYS 5 HG2 LYS 5 8.733 4.054 -9.388 37 HG3 LYS 5 HG1 LYS 5 7.155 4.078 -8.604 38 HD2 LYS 5 HD2 LYS 5 6.626 6.225 -9.603 39 HD3 LYS 5 HD1 LYS 5 8.258 6.365 -10.260 40 HE2 LYS 5 HE2 LYS 5 6.266 4.197 -10.989 41 HE3 LYS 5 HE1 LYS 5 6.641 5.606 -11.981 42 HZ1 LYS 5 HZ1 LYS 5 8.370 3.317 -11.297 43 HZ2 LYS 5 HZ2 LYS 5 9.046 4.802 -11.768 44 HZ3 LYS 5 HZ3 LYS 5 8.014 3.962 -12.824 45 H LEU 6 HN LEU 6 7.501 4.658 -5.113 46 HA LEU 6 HA LEU 6 5.390 2.939 -5.771 47 HB2 LEU 6 HB2 LEU 6 7.047 2.374 -4.067 48 HB3 LEU 6 HB1 LEU 6 6.462 3.682 -3.039 49 HG LEU 6 HG LEU 6 4.370 1.815 -3.967 50 HD11 LEU 6 HD11 LEU 6 6.405 0.345 -3.537 51 HD12 LEU 6 HD12 LEU 6 4.991 -0.012 -2.545 52 HD13 LEU 6 HD13 LEU 6 6.341 0.895 -1.862 53 HD21 LEU 6 HD21 LEU 6 3.853 1.976 -1.468 54 HD22 LEU 6 HD22 LEU 6 3.796 3.496 -2.359 55 HD23 LEU 6 HD23 LEU 6 5.197 3.113 -1.359 56 H MET 7 HN MET 7 5.419 5.822 -3.686 57 HA MET 7 HA MET 7 2.742 5.743 -2.869 58 HB2 MET 7 HB2 MET 7 4.418 7.256 -1.882 59 HB3 MET 7 HB1 MET 7 4.464 8.180 -3.384 60 HG2 MET 7 HG2 MET 7 2.971 9.304 -1.826 61 HG3 MET 7 HG1 MET 7 2.009 8.615 -3.132 62 HE1 MET 7 HE1 MET 7 -0.193 8.709 -1.831 63 HE2 MET 7 HE2 MET 7 0.700 9.550 -0.566 64 HE3 MET 7 HE3 MET 7 -0.373 8.219 -0.141 65 H LYS 8 HN LYS 8 4.221 7.349 -5.680 66 HA LYS 8 HA LYS 8 1.910 8.552 -6.703 67 HB2 LYS 8 HB2 LYS 8 4.387 7.509 -8.084 68 HB3 LYS 8 HB1 LYS 8 3.123 8.412 -8.920 69 HG2 LYS 8 HG2 LYS 8 3.418 10.250 -7.223 70 HG3 LYS 8 HG1 LYS 8 4.813 9.371 -6.595 71 HD2 LYS 8 HD2 LYS 8 4.527 10.221 -9.490 72 HD3 LYS 8 HD1 LYS 8 5.402 11.156 -8.276 73 HE2 LYS 8 HE2 LYS 8 6.860 9.188 -7.846 74 HE3 LYS 8 HE1 LYS 8 6.019 8.310 -9.123 75 HZ1 LYS 8 HZ1 LYS 8 8.083 9.352 -9.895 76 HZ2 LYS 8 HZ2 LYS 8 7.457 10.880 -9.496 77 HZ3 LYS 8 HZ3 LYS 8 6.722 9.949 -10.713 78 H ALA 9 HN ALA 9 3.308 5.348 -7.381 79 HA ALA 9 HA ALA 9 1.444 4.505 -9.294 80 HB1 ALA 9 HB1 ALA 9 3.386 3.181 -9.024 81 HB2 ALA 9 HB2 ALA 9 2.064 2.173 -8.433 82 HB3 ALA 9 HB3 ALA 9 3.120 3.004 -7.290 83 H PHE 10 HN PHE 10 1.418 4.115 -5.757 84 HA PHE 10 HA PHE 10 -0.954 2.643 -5.548 85 HB2 PHE 10 HB2 PHE 10 0.560 2.958 -3.648 86 HB3 PHE 10 HB1 PHE 10 0.171 4.679 -3.609 87 HD1 PHE 10 HD1 PHE 10 -1.292 1.270 -3.270 88 HD2 PHE 10 HD2 PHE 10 -1.807 5.474 -2.551 89 HE1 PHE 10 HE1 PHE 10 -3.298 0.789 -1.895 90 HE2 PHE 10 HE2 PHE 10 -3.812 4.992 -1.174 91 HZ PHE 10 HZ PHE 10 -4.558 2.649 -0.847 92 H GLU 11 HN GLU 11 -0.445 6.164 -5.484 93 HA GLU 11 HA GLU 11 -3.103 6.938 -5.063 94 HB2 GLU 11 HB2 GLU 11 -0.840 8.295 -6.536 95 HB3 GLU 11 HB1 GLU 11 -2.397 9.068 -6.237 96 HG2 GLU 11 HG2 GLU 11 -2.116 8.849 -3.842 97 HG3 GLU 11 HG1 GLU 11 -0.652 7.891 -4.059 98 H SER 12 HN SER 12 -1.340 6.399 -8.109 99 HA SER 12 HA SER 12 -3.400 7.082 -9.880 100 HB2 SER 12 HB2 SER 12 -1.174 5.052 -10.172 101 HB3 SER 12 HB1 SER 12 -2.209 5.584 -11.495 102 HG SER 12 HG SER 12 -1.508 7.764 -10.898 103 H LEU 13 HN LEU 13 -2.559 3.935 -8.438 104 HA LEU 13 HA LEU 13 -4.526 2.384 -9.689 105 HB2 LEU 13 HB2 LEU 13 -2.707 1.383 -8.407 106 HB3 LEU 13 HB1 LEU 13 -3.328 2.103 -6.921 107 HG LEU 13 HG LEU 13 -5.442 0.825 -7.214 108 HD11 LEU 13 HD11 LEU 13 -3.944 -0.260 -9.610 109 HD12 LEU 13 HD12 LEU 13 -5.521 0.528 -9.591 110 HD13 LEU 13 HD13 LEU 13 -5.332 -1.082 -8.897 111 HD21 LEU 13 HD21 LEU 13 -2.830 -0.704 -7.163 112 HD22 LEU 13 HD22 LEU 13 -4.388 -1.463 -6.836 113 HD23 LEU 13 HD23 LEU 13 -3.798 -0.175 -5.787 114 H LYS 14 HN LYS 14 -4.636 4.154 -6.603 115 HA LYS 14 HA LYS 14 -7.221 3.423 -5.820 116 HB2 LYS 14 HB2 LYS 14 -5.636 4.586 -4.341 117 HB3 LYS 14 HB1 LYS 14 -5.777 6.039 -5.329 118 HG2 LYS 14 HG2 LYS 14 -7.246 6.278 -3.413 119 HG3 LYS 14 HG1 LYS 14 -8.244 6.051 -4.849 120 HD2 LYS 14 HD2 LYS 14 -8.563 3.698 -4.318 121 HD3 LYS 14 HD1 LYS 14 -7.444 3.818 -2.960 122 HE2 LYS 14 HE2 LYS 14 -8.948 5.443 -1.864 123 HE3 LYS 14 HE1 LYS 14 -10.070 5.315 -3.220 124 HZ1 LYS 14 HZ1 LYS 14 -10.521 3.082 -2.713 125 HZ2 LYS 14 HZ2 LYS 14 -10.567 3.892 -1.220 126 HZ3 LYS 14 HZ3 LYS 14 -9.210 2.961 -1.643 127 H SER 15 HN SER 15 -6.124 6.201 -7.754 128 HA SER 15 HA SER 15 -8.616 7.425 -8.131 129 HB2 SER 15 HB2 SER 15 -6.197 7.331 -9.948 130 HB3 SER 15 HB1 SER 15 -7.579 8.395 -10.194 131 HG SER 15 HG SER 15 -6.896 9.620 -8.622 132 H PHE 16 HN PHE 16 -6.938 4.968 -10.084 133 HA PHE 16 HA PHE 16 -8.841 4.720 -12.120 134 HB2 PHE 16 HB2 PHE 16 -6.738 2.916 -10.991 135 HB3 PHE 16 HB1 PHE 16 -7.910 2.251 -12.129 136 HD1 PHE 16 HD1 PHE 16 -4.839 4.011 -11.817 137 HD2 PHE 16 HD2 PHE 16 -8.322 3.666 -14.307 138 HE1 PHE 16 HE1 PHE 16 -3.591 5.026 -13.704 139 HE2 PHE 16 HE2 PHE 16 -7.074 4.681 -16.194 140 HZ PHE 16 HZ PHE 16 -4.708 5.361 -15.893 141 H GLN 17 HN GLN 17 -8.550 2.958 -9.044 142 HA GLN 17 HA GLN 17 -10.723 1.221 -9.370 143 HB2 GLN 17 HB2 GLN 17 -9.089 0.980 -7.557 144 HB3 GLN 17 HB1 GLN 17 -9.665 2.479 -6.826 145 HG2 GLN 17 HG2 GLN 17 -11.894 1.496 -6.521 146 HG3 GLN 17 HG1 GLN 17 -11.356 0.006 -7.293 147 HE21 GLN 17 HE21 GLN 17 -12.329 -0.127 -4.659 148 HE22 GLN 17 HE22 GLN 17 -11.042 -0.443 -3.598 149 H1 ALA 1 HT1 ALA 1 -14.788 -6.889 -5.608 150 H2 ALA 1 HT2 ALA 1 -14.933 -7.083 -3.927 151 H3 ALA 1 HT3 ALA 1 -15.374 -8.348 -4.972 152 HA ALA 1 HA ALA 1 -13.127 -8.492 -3.776 153 HB1 ALA 1 HB1 ALA 1 -12.136 -9.561 -5.797 154 HB2 ALA 1 HB2 ALA 1 -13.412 -8.837 -6.776 155 HB3 ALA 1 HB3 ALA 1 -13.817 -10.033 -5.545 156 H THR 2 HN THR 2 -13.488 -5.658 -4.084 157 HA THR 2 HA THR 2 -11.578 -4.533 -5.860 158 HB THR 2 HB THR 2 -11.836 -2.496 -4.485 159 HG1 THR 2 HG1 THR 2 -12.719 -2.590 -2.557 160 HG21 THR 2 HG21 THR 2 -14.255 -2.224 -4.826 161 HG22 THR 2 HG22 THR 2 -14.437 -3.971 -4.984 162 HG23 THR 2 HG23 THR 2 -13.528 -3.065 -6.194 163 H LEU 3 HN LEU 3 -11.437 -5.555 -2.473 164 HA LEU 3 HA LEU 3 -8.902 -4.556 -1.826 165 HB2 LEU 3 HB2 LEU 3 -10.518 -6.893 -0.840 166 HB3 LEU 3 HB1 LEU 3 -8.886 -6.607 -0.233 167 HG LEU 3 HG LEU 3 -9.645 -4.200 0.220 168 HD11 LEU 3 HD11 LEU 3 -12.179 -4.106 0.625 169 HD12 LEU 3 HD12 LEU 3 -12.282 -5.550 -0.381 170 HD13 LEU 3 HD13 LEU 3 -11.649 -4.049 -1.055 171 HD21 LEU 3 HD21 LEU 3 -9.323 -5.678 2.078 172 HD22 LEU 3 HD22 LEU 3 -10.786 -6.586 1.695 173 HD23 LEU 3 HD23 LEU 3 -10.907 -4.939 2.316 174 H GLU 4 HN GLU 4 -9.830 -7.705 -3.203 175 HA GLU 4 HA GLU 4 -7.281 -8.851 -3.319 176 HB2 GLU 4 HB2 GLU 4 -9.362 -10.109 -3.723 177 HB3 GLU 4 HB1 GLU 4 -9.590 -9.237 -5.239 178 HG2 GLU 4 HG2 GLU 4 -7.466 -10.130 -6.092 179 HG3 GLU 4 HG1 GLU 4 -7.197 -10.974 -4.569 180 H LYS 5 HN LYS 5 -9.018 -6.905 -5.741 181 HA LYS 5 HA LYS 5 -7.090 -6.991 -7.768 182 HB2 LYS 5 HB2 LYS 5 -9.352 -6.117 -8.126 183 HB3 LYS 5 HB1 LYS 5 -9.004 -4.751 -7.066 184 HG2 LYS 5 HG2 LYS 5 -8.733 -4.054 -9.388 185 HG3 LYS 5 HG1 LYS 5 -7.155 -4.078 -8.604 186 HD2 LYS 5 HD2 LYS 5 -6.626 -6.225 -9.603 187 HD3 LYS 5 HD1 LYS 5 -8.258 -6.365 -10.260 188 HE2 LYS 5 HE2 LYS 5 -6.266 -4.197 -10.989 189 HE3 LYS 5 HE1 LYS 5 -6.641 -5.606 -11.981 190 HZ1 LYS 5 HZ1 LYS 5 -8.370 -3.317 -11.297 191 HZ2 LYS 5 HZ2 LYS 5 -9.046 -4.802 -11.768 192 HZ3 LYS 5 HZ3 LYS 5 -8.014 -3.962 -12.824 193 H LEU 6 HN LEU 6 -7.501 -4.658 -5.113 194 HA LEU 6 HA LEU 6 -5.390 -2.939 -5.771 195 HB2 LEU 6 HB2 LEU 6 -7.047 -2.374 -4.068 196 HB3 LEU 6 HB1 LEU 6 -6.462 -3.682 -3.039 197 HG LEU 6 HG LEU 6 -4.370 -1.815 -3.967 198 HD11 LEU 6 HD11 LEU 6 -6.405 -0.346 -3.537 199 HD12 LEU 6 HD12 LEU 6 -4.991 0.012 -2.545 200 HD13 LEU 6 HD13 LEU 6 -6.341 -0.895 -1.862 201 HD21 LEU 6 HD21 LEU 6 -3.853 -1.976 -1.468 202 HD22 LEU 6 HD22 LEU 6 -3.796 -3.496 -2.359 203 HD23 LEU 6 HD23 LEU 6 -5.197 -3.113 -1.359 204 H MET 7 HN MET 7 -5.419 -5.822 -3.686 205 HA MET 7 HA MET 7 -2.742 -5.743 -2.869 206 HB2 MET 7 HB2 MET 7 -4.418 -7.256 -1.882 207 HB3 MET 7 HB1 MET 7 -4.464 -8.180 -3.384 208 HG2 MET 7 HG2 MET 7 -2.971 -9.304 -1.826 209 HG3 MET 7 HG1 MET 7 -2.009 -8.615 -3.132 210 HE1 MET 7 HE1 MET 7 0.193 -8.709 -1.831 211 HE2 MET 7 HE2 MET 7 -0.700 -9.550 -0.566 212 HE3 MET 7 HE3 MET 7 0.373 -8.219 -0.141 213 H LYS 8 HN LYS 8 -4.221 -7.349 -5.680 214 HA LYS 8 HA LYS 8 -1.910 -8.552 -6.703 215 HB2 LYS 8 HB2 LYS 8 -4.387 -7.509 -8.084 216 HB3 LYS 8 HB1 LYS 8 -3.123 -8.412 -8.920 217 HG2 LYS 8 HG2 LYS 8 -3.418 -10.250 -7.223 218 HG3 LYS 8 HG1 LYS 8 -4.813 -9.371 -6.595 219 HD2 LYS 8 HD2 LYS 8 -4.527 -10.221 -9.490 220 HD3 LYS 8 HD1 LYS 8 -5.402 -11.156 -8.276 221 HE2 LYS 8 HE2 LYS 8 -6.860 -9.188 -7.846 222 HE3 LYS 8 HE1 LYS 8 -6.019 -8.310 -9.123 223 HZ1 LYS 8 HZ1 LYS 8 -8.083 -9.352 -9.895 224 HZ2 LYS 8 HZ2 LYS 8 -7.457 -10.880 -9.496 225 HZ3 LYS 8 HZ3 LYS 8 -6.722 -9.949 -10.713 226 H ALA 9 HN ALA 9 -3.308 -5.348 -7.381 227 HA ALA 9 HA ALA 9 -1.444 -4.505 -9.294 228 HB1 ALA 9 HB1 ALA 9 -3.387 -3.181 -9.023 229 HB2 ALA 9 HB2 ALA 9 -2.065 -2.173 -8.434 230 HB3 ALA 9 HB3 ALA 9 -3.119 -3.003 -7.289 231 H PHE 10 HN PHE 10 -1.418 -4.115 -5.757 232 HA PHE 10 HA PHE 10 0.954 -2.643 -5.548 233 HB2 PHE 10 HB2 PHE 10 -0.560 -2.958 -3.648 234 HB3 PHE 10 HB1 PHE 10 -0.171 -4.679 -3.609 235 HD1 PHE 10 HD1 PHE 10 1.292 -1.270 -3.270 236 HD2 PHE 10 HD2 PHE 10 1.807 -5.474 -2.551 237 HE1 PHE 10 HE1 PHE 10 3.298 -0.789 -1.895 238 HE2 PHE 10 HE2 PHE 10 3.812 -4.992 -1.174 239 HZ PHE 10 HZ PHE 10 4.558 -2.649 -0.847 240 H GLU 11 HN GLU 11 0.445 -6.164 -5.484 241 HA GLU 11 HA GLU 11 3.103 -6.938 -5.063 242 HB2 GLU 11 HB2 GLU 11 0.840 -8.295 -6.536 243 HB3 GLU 11 HB1 GLU 11 2.397 -9.068 -6.237 244 HG2 GLU 11 HG2 GLU 11 2.116 -8.849 -3.842 245 HG3 GLU 11 HG1 GLU 11 0.652 -7.891 -4.059 246 H SER 12 HN SER 12 1.340 -6.399 -8.109 247 HA SER 12 HA SER 12 3.408 -7.081 -9.870 248 HB2 SER 12 HB2 SER 12 2.211 -5.765 -11.543 249 HB3 SER 12 HB1 SER 12 1.070 -6.703 -10.585 250 HG SER 12 HG SER 12 1.680 -3.947 -10.453 251 H LEU 13 HN LEU 13 2.559 -3.935 -8.438 252 HA LEU 13 HA LEU 13 4.526 -2.384 -9.689 253 HB2 LEU 13 HB2 LEU 13 2.708 -1.383 -8.406 254 HB3 LEU 13 HB1 LEU 13 3.329 -2.103 -6.921 255 HG LEU 13 HG LEU 13 5.442 -0.825 -7.214 256 HD11 LEU 13 HD11 LEU 13 3.945 0.255 -9.612 257 HD12 LEU 13 HD12 LEU 13 5.525 -0.528 -9.590 258 HD13 LEU 13 HD13 LEU 13 5.330 1.083 -8.899 259 HD21 LEU 13 HD21 LEU 13 2.831 0.704 -7.163 260 HD22 LEU 13 HD22 LEU 13 4.388 1.464 -6.837 261 HD23 LEU 13 HD23 LEU 13 3.800 0.176 -5.787 262 H LYS 14 HN LYS 14 4.636 -4.154 -6.603 263 HA LYS 14 HA LYS 14 7.221 -3.423 -5.820 264 HB2 LYS 14 HB2 LYS 14 5.636 -4.586 -4.341 265 HB3 LYS 14 HB1 LYS 14 5.777 -6.039 -5.329 266 HG2 LYS 14 HG2 LYS 14 7.246 -6.278 -3.413 267 HG3 LYS 14 HG1 LYS 14 8.244 -6.051 -4.849 268 HD2 LYS 14 HD2 LYS 14 8.563 -3.698 -4.318 269 HD3 LYS 14 HD1 LYS 14 7.444 -3.818 -2.960 270 HE2 LYS 14 HE2 LYS 14 8.948 -5.443 -1.864 271 HE3 LYS 14 HE1 LYS 14 10.070 -5.315 -3.220 272 HZ1 LYS 14 HZ1 LYS 14 10.521 -3.082 -2.713 273 HZ2 LYS 14 HZ2 LYS 14 10.567 -3.892 -1.220 274 HZ3 LYS 14 HZ3 LYS 14 9.210 -2.961 -1.643 275 H SER 15 HN SER 15 6.124 -6.201 -7.754 276 HA SER 15 HA SER 15 8.616 -7.425 -8.131 277 HB2 SER 15 HB2 SER 15 6.197 -7.331 -9.948 278 HB3 SER 15 HB1 SER 15 7.579 -8.395 -10.194 279 HG SER 15 HG SER 15 7.155 -9.173 -8.025 280 H PHE 16 HN PHE 16 6.938 -4.968 -10.084 281 HA PHE 16 HA PHE 16 8.835 -4.714 -12.126 282 HB2 PHE 16 HB2 PHE 16 6.650 -3.689 -12.318 283 HB3 PHE 16 HB1 PHE 16 6.966 -2.658 -10.923 284 HD1 PHE 16 HD1 PHE 16 8.151 -3.445 -14.374 285 HD2 PHE 16 HD2 PHE 16 8.081 -0.587 -11.168 286 HE1 PHE 16 HE1 PHE 16 9.190 -1.753 -15.860 287 HE2 PHE 16 HE2 PHE 16 9.121 1.105 -12.653 288 HZ PHE 16 HZ PHE 16 9.675 0.522 -14.999 289 H GLN 17 HN GLN 17 8.550 -2.958 -9.044 290 HA GLN 17 HA GLN 17 10.723 -1.221 -9.370 291 HB2 GLN 17 HB2 GLN 17 9.086 -0.986 -7.557 292 HB3 GLN 17 HB1 GLN 17 9.672 -2.479 -6.823 293 HG2 GLN 17 HG2 GLN 17 11.898 -1.482 -6.531 294 HG3 GLN 17 HG1 GLN 17 11.344 0.005 -7.300 295 HE21 GLN 17 HE21 GLN 17 12.331 0.129 -4.662 296 HE22 GLN 17 HE22 GLN 17 11.046 0.441 -3.598 297 H1 ALA 1 HT1 ALA 1 6.889 14.788 5.608 298 H2 ALA 1 HT2 ALA 1 7.083 14.933 3.927 299 H3 ALA 1 HT3 ALA 1 8.348 15.374 4.972 300 HA ALA 1 HA ALA 1 8.492 13.127 3.776 301 HB1 ALA 1 HB1 ALA 1 9.561 12.136 5.797 302 HB2 ALA 1 HB2 ALA 1 8.837 13.412 6.776 303 HB3 ALA 1 HB3 ALA 1 10.033 13.817 5.545 304 H THR 2 HN THR 2 5.658 13.488 4.084 305 HA THR 2 HA THR 2 4.533 11.578 5.860 306 HB THR 2 HB THR 2 2.496 11.836 4.485 307 HG1 THR 2 HG1 THR 2 2.590 12.719 2.557 308 HG21 THR 2 HG21 THR 2 2.224 14.255 4.826 309 HG22 THR 2 HG22 THR 2 3.971 14.437 4.984 310 HG23 THR 2 HG23 THR 2 3.065 13.528 6.194 311 H LEU 3 HN LEU 3 5.555 11.437 2.473 312 HA LEU 3 HA LEU 3 4.556 8.902 1.826 313 HB2 LEU 3 HB2 LEU 3 6.893 10.518 0.840 314 HB3 LEU 3 HB1 LEU 3 6.607 8.886 0.233 315 HG LEU 3 HG LEU 3 4.200 9.645 -0.220 316 HD11 LEU 3 HD11 LEU 3 4.106 12.179 -0.625 317 HD12 LEU 3 HD12 LEU 3 5.550 12.282 0.381 318 HD13 LEU 3 HD13 LEU 3 4.049 11.649 1.055 319 HD21 LEU 3 HD21 LEU 3 5.678 9.323 -2.078 320 HD22 LEU 3 HD22 LEU 3 6.586 10.786 -1.695 321 HD23 LEU 3 HD23 LEU 3 4.939 10.907 -2.316 322 H GLU 4 HN GLU 4 7.705 9.830 3.203 323 HA GLU 4 HA GLU 4 8.851 7.281 3.319 324 HB2 GLU 4 HB2 GLU 4 10.109 9.362 3.723 325 HB3 GLU 4 HB1 GLU 4 9.237 9.590 5.239 326 HG2 GLU 4 HG2 GLU 4 10.130 7.466 6.092 327 HG3 GLU 4 HG1 GLU 4 10.974 7.197 4.569 328 H LYS 5 HN LYS 5 6.905 9.018 5.741 329 HA LYS 5 HA LYS 5 6.991 7.090 7.768 330 HB2 LYS 5 HB2 LYS 5 6.117 9.352 8.126 331 HB3 LYS 5 HB1 LYS 5 4.751 9.004 7.066 332 HG2 LYS 5 HG2 LYS 5 4.054 8.733 9.388 333 HG3 LYS 5 HG1 LYS 5 4.078 7.155 8.604 334 HD2 LYS 5 HD2 LYS 5 6.225 6.626 9.603 335 HD3 LYS 5 HD1 LYS 5 6.365 8.258 10.260 336 HE2 LYS 5 HE2 LYS 5 4.197 6.266 10.989 337 HE3 LYS 5 HE1 LYS 5 5.606 6.641 11.981 338 HZ1 LYS 5 HZ1 LYS 5 3.317 8.370 11.297 339 HZ2 LYS 5 HZ2 LYS 5 4.802 9.046 11.768 340 HZ3 LYS 5 HZ3 LYS 5 3.962 8.014 12.824 341 H LEU 6 HN LEU 6 4.658 7.501 5.113 342 HA LEU 6 HA LEU 6 2.939 5.390 5.771 343 HB2 LEU 6 HB2 LEU 6 2.374 7.047 4.068 344 HB3 LEU 6 HB1 LEU 6 3.682 6.462 3.039 345 HG LEU 6 HG LEU 6 1.815 4.370 3.967 346 HD11 LEU 6 HD11 LEU 6 0.346 6.405 3.537 347 HD12 LEU 6 HD12 LEU 6 -0.012 4.991 2.545 348 HD13 LEU 6 HD13 LEU 6 0.895 6.341 1.862 349 HD21 LEU 6 HD21 LEU 6 1.976 3.853 1.468 350 HD22 LEU 6 HD22 LEU 6 3.496 3.796 2.359 351 HD23 LEU 6 HD23 LEU 6 3.113 5.197 1.359 352 H MET 7 HN MET 7 5.822 5.419 3.686 353 HA MET 7 HA MET 7 5.743 2.742 2.869 354 HB2 MET 7 HB2 MET 7 7.256 4.418 1.882 355 HB3 MET 7 HB1 MET 7 8.180 4.464 3.384 356 HG2 MET 7 HG2 MET 7 9.304 2.971 1.826 357 HG3 MET 7 HG1 MET 7 8.615 2.009 3.132 358 HE1 MET 7 HE1 MET 7 8.709 -0.193 1.831 359 HE2 MET 7 HE2 MET 7 9.550 0.700 0.566 360 HE3 MET 7 HE3 MET 7 8.219 -0.373 0.141 361 H LYS 8 HN LYS 8 7.349 4.221 5.680 362 HA LYS 8 HA LYS 8 8.552 1.910 6.703 363 HB2 LYS 8 HB2 LYS 8 7.509 4.387 8.084 364 HB3 LYS 8 HB1 LYS 8 8.412 3.123 8.920 365 HG2 LYS 8 HG2 LYS 8 10.250 3.418 7.223 366 HG3 LYS 8 HG1 LYS 8 9.371 4.813 6.595 367 HD2 LYS 8 HD2 LYS 8 10.221 4.527 9.490 368 HD3 LYS 8 HD1 LYS 8 11.156 5.402 8.276 369 HE2 LYS 8 HE2 LYS 8 9.188 6.860 7.846 370 HE3 LYS 8 HE1 LYS 8 8.310 6.019 9.123 371 HZ1 LYS 8 HZ1 LYS 8 9.352 8.083 9.895 372 HZ2 LYS 8 HZ2 LYS 8 10.880 7.457 9.496 373 HZ3 LYS 8 HZ3 LYS 8 9.949 6.722 10.713 374 H ALA 9 HN ALA 9 5.348 3.308 7.381 375 HA ALA 9 HA ALA 9 4.505 1.444 9.294 376 HB1 ALA 9 HB1 ALA 9 3.182 3.387 9.023 377 HB2 ALA 9 HB2 ALA 9 2.174 2.065 8.435 378 HB3 ALA 9 HB3 ALA 9 3.003 3.118 7.289 379 H PHE 10 HN PHE 10 4.115 1.418 5.757 380 HA PHE 10 HA PHE 10 2.643 -0.954 5.548 381 HB2 PHE 10 HB2 PHE 10 2.958 0.560 3.648 382 HB3 PHE 10 HB1 PHE 10 4.679 0.171 3.609 383 HD1 PHE 10 HD1 PHE 10 1.270 -1.292 3.270 384 HD2 PHE 10 HD2 PHE 10 5.474 -1.807 2.551 385 HE1 PHE 10 HE1 PHE 10 0.789 -3.298 1.895 386 HE2 PHE 10 HE2 PHE 10 4.992 -3.812 1.174 387 HZ PHE 10 HZ PHE 10 2.649 -4.558 0.847 388 H GLU 11 HN GLU 11 6.164 -0.445 5.484 389 HA GLU 11 HA GLU 11 6.938 -3.103 5.063 390 HB2 GLU 11 HB2 GLU 11 8.295 -0.840 6.536 391 HB3 GLU 11 HB1 GLU 11 9.068 -2.397 6.237 392 HG2 GLU 11 HG2 GLU 11 8.849 -2.116 3.842 393 HG3 GLU 11 HG1 GLU 11 7.891 -0.652 4.059 394 H SER 12 HN SER 12 6.399 -1.340 8.109 395 HA SER 12 HA SER 12 7.082 -3.400 9.880 396 HB2 SER 12 HB2 SER 12 5.054 -1.171 10.169 397 HB3 SER 12 HB1 SER 12 5.583 -2.205 11.493 398 HG SER 12 HG SER 12 7.315 -1.035 11.623 399 H LEU 13 HN LEU 13 3.935 -2.559 8.438 400 HA LEU 13 HA LEU 13 2.384 -4.526 9.689 401 HB2 LEU 13 HB2 LEU 13 1.383 -2.707 8.407 402 HB3 LEU 13 HB1 LEU 13 2.103 -3.328 6.921 403 HG LEU 13 HG LEU 13 0.825 -5.442 7.214 404 HD11 LEU 13 HD11 LEU 13 -0.260 -3.944 9.610 405 HD12 LEU 13 HD12 LEU 13 0.528 -5.521 9.591 406 HD13 LEU 13 HD13 LEU 13 -1.082 -5.332 8.897 407 HD21 LEU 13 HD21 LEU 13 -0.704 -2.830 7.163 408 HD22 LEU 13 HD22 LEU 13 -1.463 -4.388 6.836 409 HD23 LEU 13 HD23 LEU 13 -0.175 -3.798 5.787 410 H LYS 14 HN LYS 14 4.154 -4.636 6.603 411 HA LYS 14 HA LYS 14 3.423 -7.221 5.820 412 HB2 LYS 14 HB2 LYS 14 4.586 -5.636 4.341 413 HB3 LYS 14 HB1 LYS 14 6.039 -5.777 5.329 414 HG2 LYS 14 HG2 LYS 14 6.278 -7.246 3.413 415 HG3 LYS 14 HG1 LYS 14 6.051 -8.244 4.849 416 HD2 LYS 14 HD2 LYS 14 3.698 -8.563 4.318 417 HD3 LYS 14 HD1 LYS 14 3.818 -7.444 2.960 418 HE2 LYS 14 HE2 LYS 14 5.443 -8.948 1.864 419 HE3 LYS 14 HE1 LYS 14 5.315 -10.070 3.220 420 HZ1 LYS 14 HZ1 LYS 14 3.082 -10.521 2.713 421 HZ2 LYS 14 HZ2 LYS 14 3.892 -10.567 1.220 422 HZ3 LYS 14 HZ3 LYS 14 2.961 -9.210 1.643 423 H SER 15 HN SER 15 6.201 -6.124 7.754 424 HA SER 15 HA SER 15 7.426 -8.616 8.131 425 HB2 SER 15 HB2 SER 15 8.510 -6.499 8.748 426 HB3 SER 15 HB1 SER 15 7.319 -6.248 10.021 427 HG SER 15 HG SER 15 8.509 -7.474 11.227 428 H PHE 16 HN PHE 16 4.968 -6.938 10.084 429 HA PHE 16 HA PHE 16 4.717 -8.838 12.122 430 HB2 PHE 16 HB2 PHE 16 3.688 -6.638 12.295 431 HB3 PHE 16 HB1 PHE 16 2.614 -7.007 10.944 432 HD1 PHE 16 HD1 PHE 16 3.546 -8.077 14.394 433 HD2 PHE 16 HD2 PHE 16 0.594 -8.203 11.276 434 HE1 PHE 16 HE1 PHE 16 1.943 -9.146 15.955 435 HE2 PHE 16 HE2 PHE 16 -1.009 -9.271 12.838 436 HZ PHE 16 HZ PHE 16 -0.335 -9.743 15.177 437 H GLN 17 HN GLN 17 2.958 -8.550 9.044 438 HA GLN 17 HA GLN 17 1.221 -10.723 9.370 439 HB2 GLN 17 HB2 GLN 17 0.980 -9.089 7.557 440 HB3 GLN 17 HB1 GLN 17 2.479 -9.665 6.826 441 HG2 GLN 17 HG2 GLN 17 1.496 -11.894 6.521 442 HG3 GLN 17 HG1 GLN 17 0.006 -11.356 7.293 443 HE21 GLN 17 HE21 GLN 17 -0.127 -12.329 4.658 444 HE22 GLN 17 HE22 GLN 17 -0.443 -11.042 3.598 445 H1 ALA 1 HT1 ALA 1 -6.889 -14.788 5.608 446 H2 ALA 1 HT2 ALA 1 -7.083 -14.933 3.927 447 H3 ALA 1 HT3 ALA 1 -8.348 -15.374 4.972 448 HA ALA 1 HA ALA 1 -8.492 -13.127 3.776 449 HB1 ALA 1 HB1 ALA 1 -9.561 -12.136 5.797 450 HB2 ALA 1 HB2 ALA 1 -8.837 -13.412 6.776 451 HB3 ALA 1 HB3 ALA 1 -10.033 -13.817 5.545 452 H THR 2 HN THR 2 -5.658 -13.488 4.084 453 HA THR 2 HA THR 2 -4.533 -11.578 5.860 454 HB THR 2 HB THR 2 -2.496 -11.836 4.485 455 HG1 THR 2 HG1 THR 2 -2.590 -12.719 2.557 456 HG21 THR 2 HG21 THR 2 -2.224 -14.255 4.826 457 HG22 THR 2 HG22 THR 2 -3.971 -14.437 4.984 458 HG23 THR 2 HG23 THR 2 -3.065 -13.528 6.194 459 H LEU 3 HN LEU 3 -5.555 -11.437 2.473 460 HA LEU 3 HA LEU 3 -4.556 -8.902 1.826 461 HB2 LEU 3 HB2 LEU 3 -6.893 -10.518 0.840 462 HB3 LEU 3 HB1 LEU 3 -6.607 -8.886 0.233 463 HG LEU 3 HG LEU 3 -4.200 -9.645 -0.220 464 HD11 LEU 3 HD11 LEU 3 -4.106 -12.179 -0.625 465 HD12 LEU 3 HD12 LEU 3 -5.550 -12.282 0.381 466 HD13 LEU 3 HD13 LEU 3 -4.049 -11.649 1.055 467 HD21 LEU 3 HD21 LEU 3 -5.678 -9.323 -2.078 468 HD22 LEU 3 HD22 LEU 3 -6.586 -10.786 -1.695 469 HD23 LEU 3 HD23 LEU 3 -4.939 -10.907 -2.316 470 H GLU 4 HN GLU 4 -7.705 -9.830 3.203 471 HA GLU 4 HA GLU 4 -8.851 -7.281 3.319 472 HB2 GLU 4 HB2 GLU 4 -10.109 -9.362 3.723 473 HB3 GLU 4 HB1 GLU 4 -9.237 -9.590 5.239 474 HG2 GLU 4 HG2 GLU 4 -10.130 -7.466 6.092 475 HG3 GLU 4 HG1 GLU 4 -10.974 -7.197 4.569 476 H LYS 5 HN LYS 5 -6.905 -9.018 5.741 477 HA LYS 5 HA LYS 5 -6.991 -7.090 7.768 478 HB2 LYS 5 HB2 LYS 5 -6.117 -9.352 8.126 479 HB3 LYS 5 HB1 LYS 5 -4.751 -9.004 7.066 480 HG2 LYS 5 HG2 LYS 5 -4.054 -8.733 9.388 481 HG3 LYS 5 HG1 LYS 5 -4.078 -7.155 8.604 482 HD2 LYS 5 HD2 LYS 5 -6.225 -6.626 9.603 483 HD3 LYS 5 HD1 LYS 5 -6.365 -8.258 10.260 484 HE2 LYS 5 HE2 LYS 5 -4.197 -6.266 10.989 485 HE3 LYS 5 HE1 LYS 5 -5.606 -6.641 11.981 486 HZ1 LYS 5 HZ1 LYS 5 -3.317 -8.370 11.297 487 HZ2 LYS 5 HZ2 LYS 5 -4.802 -9.046 11.768 488 HZ3 LYS 5 HZ3 LYS 5 -3.962 -8.014 12.824 489 H LEU 6 HN LEU 6 -4.658 -7.501 5.113 490 HA LEU 6 HA LEU 6 -2.939 -5.390 5.771 491 HB2 LEU 6 HB2 LEU 6 -2.374 -7.047 4.068 492 HB3 LEU 6 HB1 LEU 6 -3.682 -6.462 3.039 493 HG LEU 6 HG LEU 6 -1.815 -4.370 3.967 494 HD11 LEU 6 HD11 LEU 6 -0.346 -6.405 3.537 495 HD12 LEU 6 HD12 LEU 6 0.012 -4.991 2.545 496 HD13 LEU 6 HD13 LEU 6 -0.895 -6.341 1.862 497 HD21 LEU 6 HD21 LEU 6 -1.976 -3.853 1.468 498 HD22 LEU 6 HD22 LEU 6 -3.496 -3.796 2.359 499 HD23 LEU 6 HD23 LEU 6 -3.113 -5.197 1.359 500 H MET 7 HN MET 7 -5.822 -5.419 3.686 501 HA MET 7 HA MET 7 -5.743 -2.742 2.869 502 HB2 MET 7 HB2 MET 7 -7.256 -4.418 1.882 503 HB3 MET 7 HB1 MET 7 -8.180 -4.464 3.384 504 HG2 MET 7 HG2 MET 7 -9.304 -2.971 1.826 505 HG3 MET 7 HG1 MET 7 -8.615 -2.009 3.132 506 HE1 MET 7 HE1 MET 7 -8.709 0.193 1.831 507 HE2 MET 7 HE2 MET 7 -9.550 -0.700 0.566 508 HE3 MET 7 HE3 MET 7 -8.219 0.373 0.141 509 H LYS 8 HN LYS 8 -7.349 -4.221 5.680 510 HA LYS 8 HA LYS 8 -8.552 -1.910 6.703 511 HB2 LYS 8 HB2 LYS 8 -7.509 -4.387 8.084 512 HB3 LYS 8 HB1 LYS 8 -8.412 -3.123 8.920 513 HG2 LYS 8 HG2 LYS 8 -10.250 -3.418 7.223 514 HG3 LYS 8 HG1 LYS 8 -9.371 -4.813 6.595 515 HD2 LYS 8 HD2 LYS 8 -10.221 -4.527 9.490 516 HD3 LYS 8 HD1 LYS 8 -11.156 -5.402 8.276 517 HE2 LYS 8 HE2 LYS 8 -9.188 -6.860 7.846 518 HE3 LYS 8 HE1 LYS 8 -8.310 -6.019 9.123 519 HZ1 LYS 8 HZ1 LYS 8 -9.352 -8.083 9.895 520 HZ2 LYS 8 HZ2 LYS 8 -10.880 -7.457 9.496 521 HZ3 LYS 8 HZ3 LYS 8 -9.949 -6.722 10.713 522 H ALA 9 HN ALA 9 -5.348 -3.308 7.381 523 HA ALA 9 HA ALA 9 -4.505 -1.444 9.294 524 HB1 ALA 9 HB1 ALA 9 -3.181 -3.387 9.023 525 HB2 ALA 9 HB2 ALA 9 -2.173 -2.065 8.434 526 HB3 ALA 9 HB3 ALA 9 -3.003 -3.119 7.289 527 H PHE 10 HN PHE 10 -4.115 -1.418 5.757 528 HA PHE 10 HA PHE 10 -2.643 0.954 5.548 529 HB2 PHE 10 HB2 PHE 10 -2.958 -0.560 3.648 530 HB3 PHE 10 HB1 PHE 10 -4.679 -0.171 3.609 531 HD1 PHE 10 HD1 PHE 10 -1.270 1.292 3.270 532 HD2 PHE 10 HD2 PHE 10 -5.474 1.807 2.551 533 HE1 PHE 10 HE1 PHE 10 -0.789 3.298 1.895 534 HE2 PHE 10 HE2 PHE 10 -4.992 3.812 1.174 535 HZ PHE 10 HZ PHE 10 -2.649 4.558 0.847 536 H GLU 11 HN GLU 11 -6.164 0.445 5.484 537 HA GLU 11 HA GLU 11 -6.938 3.103 5.063 538 HB2 GLU 11 HB2 GLU 11 -8.295 0.840 6.536 539 HB3 GLU 11 HB1 GLU 11 -9.068 2.397 6.237 540 HG2 GLU 11 HG2 GLU 11 -8.849 2.116 3.842 541 HG3 GLU 11 HG1 GLU 11 -7.891 0.652 4.059 542 H SER 12 HN SER 12 -6.399 1.340 8.109 543 HA SER 12 HA SER 12 -7.081 3.408 9.870 544 HB2 SER 12 HB2 SER 12 -5.765 2.211 11.544 545 HB3 SER 12 HB1 SER 12 -6.703 1.070 10.585 546 HG SER 12 HG SER 12 -3.952 1.577 10.619 547 H LEU 13 HN LEU 13 -3.935 2.559 8.438 548 HA LEU 13 HA LEU 13 -2.386 4.526 9.689 549 HB2 LEU 13 HB2 LEU 13 -1.381 2.708 8.412 550 HB3 LEU 13 HB1 LEU 13 -2.101 3.324 6.924 551 HG LEU 13 HG LEU 13 -0.824 5.441 7.215 552 HD11 LEU 13 HD11 LEU 13 0.266 3.943 9.609 553 HD12 LEU 13 HD12 LEU 13 -0.524 5.520 9.593 554 HD13 LEU 13 HD13 LEU 13 1.085 5.333 8.895 555 HD21 LEU 13 HD21 LEU 13 0.705 2.829 7.163 556 HD22 LEU 13 HD22 LEU 13 1.463 4.387 6.834 557 HD23 LEU 13 HD23 LEU 13 0.174 3.796 5.787 558 H LYS 14 HN LYS 14 -4.154 4.636 6.603 559 HA LYS 14 HA LYS 14 -3.423 7.221 5.820 560 HB2 LYS 14 HB2 LYS 14 -4.586 5.636 4.341 561 HB3 LYS 14 HB1 LYS 14 -6.039 5.777 5.329 562 HG2 LYS 14 HG2 LYS 14 -6.278 7.246 3.413 563 HG3 LYS 14 HG1 LYS 14 -6.051 8.244 4.849 564 HD2 LYS 14 HD2 LYS 14 -3.698 8.563 4.318 565 HD3 LYS 14 HD1 LYS 14 -3.818 7.444 2.960 566 HE2 LYS 14 HE2 LYS 14 -5.443 8.948 1.864 567 HE3 LYS 14 HE1 LYS 14 -5.315 10.070 3.220 568 HZ1 LYS 14 HZ1 LYS 14 -3.082 10.521 2.713 569 HZ2 LYS 14 HZ2 LYS 14 -3.892 10.567 1.220 570 HZ3 LYS 14 HZ3 LYS 14 -2.961 9.210 1.643 571 H SER 15 HN SER 15 -6.201 6.124 7.754 572 HA SER 15 HA SER 15 -7.414 8.621 8.127 573 HB2 SER 15 HB2 SER 15 -8.521 7.624 10.062 574 HB3 SER 15 HB1 SER 15 -8.490 6.476 8.727 575 HG SER 15 HG SER 15 -6.966 6.533 11.095 576 H PHE 16 HN PHE 16 -4.968 6.938 10.084 577 HA PHE 16 HA PHE 16 -4.715 8.835 12.126 578 HB2 PHE 16 HB2 PHE 16 -3.688 6.656 12.329 579 HB3 PHE 16 HB1 PHE 16 -2.664 6.960 10.925 580 HD1 PHE 16 HD1 PHE 16 -3.430 8.175 14.371 581 HD2 PHE 16 HD2 PHE 16 -0.589 8.072 11.151 582 HE1 PHE 16 HE1 PHE 16 -1.728 9.224 15.839 583 HE2 PHE 16 HE2 PHE 16 1.113 9.121 12.619 584 HZ PHE 16 HZ PHE 16 0.543 9.697 14.963 585 H GLN 17 HN GLN 17 -2.958 8.550 9.044 586 HA GLN 17 HA GLN 17 -1.221 10.723 9.370 587 HB2 GLN 17 HB2 GLN 17 -0.981 9.089 7.558 588 HB3 GLN 17 HB1 GLN 17 -2.479 9.665 6.826 589 HG2 GLN 17 HG2 GLN 17 -1.496 11.894 6.521 590 HG3 GLN 17 HG1 GLN 17 -0.006 11.356 7.293 591 HE21 GLN 17 HE21 GLN 17 0.128 12.328 4.658 592 HE22 GLN 17 HE22 GLN 17 0.443 11.041 3.598 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 13.792 8.392 -3.436 2 H2 ALA 1 HT2 ALA 1 14.104 6.726 -3.311 3 H3 ALA 1 HT3 ALA 1 12.542 7.325 -3.017 4 HA ALA 1 HA ALA 1 12.692 8.203 -5.427 5 HB1 ALA 1 HB1 ALA 1 15.033 7.673 -5.790 6 HB2 ALA 1 HB2 ALA 1 14.060 6.623 -6.821 7 HB3 ALA 1 HB3 ALA 1 14.763 5.991 -5.333 8 H THR 2 HN THR 2 13.057 4.933 -4.041 9 HA THR 2 HA THR 2 11.061 3.725 -5.656 10 HB THR 2 HB THR 2 11.157 1.887 -4.006 11 HG1 THR 2 HG1 THR 2 12.552 2.173 -2.222 12 HG21 THR 2 HG21 THR 2 12.928 2.245 -5.785 13 HG22 THR 2 HG22 THR 2 13.450 1.297 -4.393 14 HG23 THR 2 HG23 THR 2 13.924 2.990 -4.535 15 H LEU 3 HN LEU 3 10.996 5.188 -2.428 16 HA LEU 3 HA LEU 3 8.381 4.500 -1.705 17 HB2 LEU 3 HB2 LEU 3 10.193 6.785 -0.981 18 HB3 LEU 3 HB1 LEU 3 8.536 6.731 -0.379 19 HG LEU 3 HG LEU 3 9.078 4.317 0.356 20 HD11 LEU 3 HD11 LEU 3 11.571 4.086 0.883 21 HD12 LEU 3 HD12 LEU 3 11.831 5.424 -0.237 22 HD13 LEU 3 HD13 LEU 3 11.122 3.916 -0.814 23 HD21 LEU 3 HD21 LEU 3 10.300 5.206 2.417 24 HD22 LEU 3 HD22 LEU 3 8.784 6.015 2.019 25 HD23 LEU 3 HD23 LEU 3 10.323 6.776 1.613 26 H GLU 4 HN GLU 4 9.588 7.361 -3.442 27 HA GLU 4 HA GLU 4 7.147 8.698 -3.742 28 HB2 GLU 4 HB2 GLU 4 9.617 8.640 -5.482 29 HB3 GLU 4 HB1 GLU 4 8.252 9.717 -5.780 30 HG2 GLU 4 HG2 GLU 4 8.518 10.755 -3.608 31 HG3 GLU 4 HG1 GLU 4 9.754 9.585 -3.153 32 H LYS 5 HN LYS 5 8.720 6.324 -5.875 33 HA LYS 5 HA LYS 5 6.818 6.322 -7.928 34 HB2 LYS 5 HB2 LYS 5 9.000 5.214 -8.127 35 HB3 LYS 5 HB1 LYS 5 8.509 4.020 -6.925 36 HG2 LYS 5 HG2 LYS 5 6.731 3.216 -8.368 37 HG3 LYS 5 HG1 LYS 5 7.048 4.498 -9.537 38 HD2 LYS 5 HD2 LYS 5 8.105 2.488 -10.359 39 HD3 LYS 5 HD1 LYS 5 9.380 3.570 -9.798 40 HE2 LYS 5 HE2 LYS 5 9.519 2.358 -7.677 41 HE3 LYS 5 HE1 LYS 5 8.184 1.313 -8.163 42 HZ1 LYS 5 HZ1 LYS 5 9.669 0.819 -10.184 43 HZ2 LYS 5 HZ2 LYS 5 10.038 0.076 -8.701 44 HZ3 LYS 5 HZ3 LYS 5 10.931 1.423 -9.225 45 H LEU 6 HN LEU 6 7.011 4.310 -4.998 46 HA LEU 6 HA LEU 6 4.762 2.714 -5.476 47 HB2 LEU 6 HB2 LEU 6 6.355 2.222 -3.688 48 HB3 LEU 6 HB1 LEU 6 5.878 3.690 -2.836 49 HG LEU 6 HG LEU 6 3.571 2.821 -2.635 50 HD11 LEU 6 HD11 LEU 6 3.393 1.431 -4.584 51 HD12 LEU 6 HD12 LEU 6 3.257 0.359 -3.192 52 HD13 LEU 6 HD13 LEU 6 4.772 0.452 -4.089 53 HD21 LEU 6 HD21 LEU 6 4.033 1.197 -0.927 54 HD22 LEU 6 HD22 LEU 6 5.395 2.317 -0.931 55 HD23 LEU 6 HD23 LEU 6 5.553 0.733 -1.691 56 H MET 7 HN MET 7 5.031 5.819 -3.759 57 HA MET 7 HA MET 7 2.354 6.071 -2.982 58 HB2 MET 7 HB2 MET 7 4.161 7.540 -2.166 59 HB3 MET 7 HB1 MET 7 4.279 8.272 -3.767 60 HG2 MET 7 HG2 MET 7 2.895 9.692 -2.354 61 HG3 MET 7 HG1 MET 7 1.877 8.947 -3.585 62 HE1 MET 7 HE1 MET 7 -0.527 9.106 -0.583 63 HE2 MET 7 HE2 MET 7 -0.303 9.403 -2.305 64 HE3 MET 7 HE3 MET 7 0.676 10.282 -1.133 65 H LYS 8 HN LYS 8 3.981 7.184 -5.946 66 HA LYS 8 HA LYS 8 1.790 8.443 -7.146 67 HB2 LYS 8 HB2 LYS 8 4.170 7.021 -8.350 68 HB3 LYS 8 HB1 LYS 8 3.001 7.934 -9.306 69 HG2 LYS 8 HG2 LYS 8 3.474 9.951 -7.967 70 HG3 LYS 8 HG1 LYS 8 4.644 9.043 -7.010 71 HD2 LYS 8 HD2 LYS 8 5.976 8.608 -9.040 72 HD3 LYS 8 HD1 LYS 8 4.807 9.512 -10.002 73 HE2 LYS 8 HE2 LYS 8 5.272 11.538 -8.676 74 HE3 LYS 8 HE1 LYS 8 6.436 10.638 -7.704 75 HZ1 LYS 8 HZ1 LYS 8 7.617 11.805 -9.390 76 HZ2 LYS 8 HZ2 LYS 8 6.594 11.213 -10.611 77 HZ3 LYS 8 HZ3 LYS 8 7.647 10.158 -9.797 78 H ALA 9 HN ALA 9 2.904 5.073 -7.400 79 HA ALA 9 HA ALA 9 0.986 4.162 -9.224 80 HB1 ALA 9 HB1 ALA 9 2.299 2.651 -6.953 81 HB2 ALA 9 HB2 ALA 9 2.949 2.837 -8.582 82 HB3 ALA 9 HB3 ALA 9 1.466 1.919 -8.324 83 H PHE 10 HN PHE 10 0.906 4.218 -5.666 84 HA PHE 10 HA PHE 10 -1.585 2.992 -5.309 85 HB2 PHE 10 HB2 PHE 10 0.333 4.064 -3.656 86 HB3 PHE 10 HB1 PHE 10 -1.017 5.178 -3.436 87 HD1 PHE 10 HD1 PHE 10 0.280 1.875 -2.733 88 HD2 PHE 10 HD2 PHE 10 -3.298 4.244 -2.844 89 HE1 PHE 10 HE1 PHE 10 -0.869 0.204 -1.306 90 HE2 PHE 10 HE2 PHE 10 -4.448 2.575 -1.414 91 HZ PHE 10 HZ PHE 10 -3.233 0.555 -0.645 92 H GLU 11 HN GLU 11 -0.772 6.438 -5.679 93 HA GLU 11 HA GLU 11 -3.356 7.481 -5.400 94 HB2 GLU 11 HB2 GLU 11 -0.982 8.453 -7.001 95 HB3 GLU 11 HB1 GLU 11 -2.464 9.388 -6.802 96 HG2 GLU 11 HG2 GLU 11 -0.709 8.375 -4.545 97 HG3 GLU 11 HG1 GLU 11 -0.768 10.038 -5.126 98 H SER 12 HN SER 12 -1.630 6.420 -8.326 99 HA SER 12 HA SER 12 -3.614 7.051 -10.200 100 HB2 SER 12 HB2 SER 12 -1.571 4.818 -10.203 101 HB3 SER 12 HB1 SER 12 -2.549 5.267 -11.597 102 HG SER 12 HG SER 12 -1.667 7.441 -11.251 103 H LEU 13 HN LEU 13 -3.057 4.049 -8.367 104 HA LEU 13 HA LEU 13 -5.149 2.536 -9.453 105 HB2 LEU 13 HB2 LEU 13 -3.424 1.541 -8.041 106 HB3 LEU 13 HB1 LEU 13 -3.997 2.468 -6.654 107 HG LEU 13 HG LEU 13 -6.083 0.896 -8.034 108 HD11 LEU 13 HD11 LEU 13 -4.193 -0.672 -8.205 109 HD12 LEU 13 HD12 LEU 13 -5.352 -1.234 -7.001 110 HD13 LEU 13 HD13 LEU 13 -3.852 -0.462 -6.487 111 HD21 LEU 13 HD21 LEU 13 -5.190 1.392 -5.183 112 HD22 LEU 13 HD22 LEU 13 -6.515 0.299 -5.586 113 HD23 LEU 13 HD23 LEU 13 -6.633 2.013 -5.986 114 H LYS 14 HN LYS 14 -5.117 4.672 -6.606 115 HA LYS 14 HA LYS 14 -7.757 4.278 -5.762 116 HB2 LYS 14 HB2 LYS 14 -5.893 6.643 -5.589 117 HB3 LYS 14 HB1 LYS 14 -7.512 6.683 -4.896 118 HG2 LYS 14 HG2 LYS 14 -7.012 4.839 -3.429 119 HG3 LYS 14 HG1 LYS 14 -5.469 4.548 -4.239 120 HD2 LYS 14 HD2 LYS 14 -4.557 6.615 -3.450 121 HD3 LYS 14 HD1 LYS 14 -6.133 7.177 -2.896 122 HE2 LYS 14 HE2 LYS 14 -6.186 5.571 -1.130 123 HE3 LYS 14 HE1 LYS 14 -4.797 4.705 -1.779 124 HZ1 LYS 14 HZ1 LYS 14 -4.871 7.361 -0.488 125 HZ2 LYS 14 HZ2 LYS 14 -3.568 6.893 -1.472 126 HZ3 LYS 14 HZ3 LYS 14 -3.936 6.009 -0.069 127 H SER 15 HN SER 15 -6.414 6.680 -8.025 128 HA SER 15 HA SER 15 -8.787 8.058 -8.591 129 HB2 SER 15 HB2 SER 15 -6.580 8.869 -9.302 130 HB3 SER 15 HB1 SER 15 -6.429 7.511 -10.414 131 HG SER 15 HG SER 15 -7.754 9.858 -10.703 132 H PHE 16 HN PHE 16 -7.322 5.240 -10.198 133 HA PHE 16 HA PHE 16 -9.230 4.903 -12.218 134 HB2 PHE 16 HB2 PHE 16 -7.575 2.829 -10.759 135 HB3 PHE 16 HB1 PHE 16 -8.480 2.524 -12.241 136 HD1 PHE 16 HD1 PHE 16 -5.316 2.663 -11.428 137 HD2 PHE 16 HD2 PHE 16 -8.038 5.075 -13.714 138 HE1 PHE 16 HE1 PHE 16 -3.420 3.541 -12.760 139 HE2 PHE 16 HE2 PHE 16 -6.140 5.954 -15.045 140 HZ PHE 16 HZ PHE 16 -3.831 5.186 -14.569 141 H GLN 17 HN GLN 17 -9.108 3.522 -8.944 142 HA GLN 17 HA GLN 17 -11.422 1.954 -9.088 143 HB2 GLN 17 HB2 GLN 17 -9.791 1.837 -7.236 144 HB3 GLN 17 HB1 GLN 17 -10.325 3.423 -6.679 145 HG2 GLN 17 HG2 GLN 17 -12.593 2.565 -6.329 146 HG3 GLN 17 HG1 GLN 17 -12.109 0.986 -6.946 147 HE21 GLN 17 HE21 GLN 17 -13.094 0.832 -4.438 148 HE22 GLN 17 HE22 GLN 17 -11.863 0.694 -3.278 149 H1 ALA 1 HT1 ALA 1 -13.792 -8.392 -3.436 150 H2 ALA 1 HT2 ALA 1 -14.104 -6.726 -3.311 151 H3 ALA 1 HT3 ALA 1 -12.542 -7.325 -3.017 152 HA ALA 1 HA ALA 1 -12.692 -8.203 -5.427 153 HB1 ALA 1 HB1 ALA 1 -15.033 -7.673 -5.790 154 HB2 ALA 1 HB2 ALA 1 -14.060 -6.623 -6.821 155 HB3 ALA 1 HB3 ALA 1 -14.763 -5.991 -5.333 156 H THR 2 HN THR 2 -13.057 -4.933 -4.041 157 HA THR 2 HA THR 2 -11.061 -3.725 -5.656 158 HB THR 2 HB THR 2 -11.157 -1.887 -4.006 159 HG1 THR 2 HG1 THR 2 -12.552 -2.173 -2.222 160 HG21 THR 2 HG21 THR 2 -12.928 -2.245 -5.785 161 HG22 THR 2 HG22 THR 2 -13.450 -1.297 -4.393 162 HG23 THR 2 HG23 THR 2 -13.924 -2.990 -4.535 163 H LEU 3 HN LEU 3 -10.996 -5.188 -2.428 164 HA LEU 3 HA LEU 3 -8.381 -4.500 -1.705 165 HB2 LEU 3 HB2 LEU 3 -10.193 -6.785 -0.981 166 HB3 LEU 3 HB1 LEU 3 -8.536 -6.731 -0.379 167 HG LEU 3 HG LEU 3 -9.078 -4.317 0.356 168 HD11 LEU 3 HD11 LEU 3 -11.571 -4.086 0.883 169 HD12 LEU 3 HD12 LEU 3 -11.831 -5.424 -0.237 170 HD13 LEU 3 HD13 LEU 3 -11.122 -3.916 -0.814 171 HD21 LEU 3 HD21 LEU 3 -10.300 -5.206 2.417 172 HD22 LEU 3 HD22 LEU 3 -8.784 -6.015 2.019 173 HD23 LEU 3 HD23 LEU 3 -10.323 -6.776 1.613 174 H GLU 4 HN GLU 4 -9.588 -7.361 -3.442 175 HA GLU 4 HA GLU 4 -7.147 -8.698 -3.742 176 HB2 GLU 4 HB2 GLU 4 -9.617 -8.640 -5.482 177 HB3 GLU 4 HB1 GLU 4 -8.252 -9.717 -5.780 178 HG2 GLU 4 HG2 GLU 4 -8.518 -10.755 -3.608 179 HG3 GLU 4 HG1 GLU 4 -9.754 -9.585 -3.153 180 H LYS 5 HN LYS 5 -8.720 -6.324 -5.875 181 HA LYS 5 HA LYS 5 -6.818 -6.322 -7.928 182 HB2 LYS 5 HB2 LYS 5 -9.000 -5.214 -8.127 183 HB3 LYS 5 HB1 LYS 5 -8.509 -4.020 -6.925 184 HG2 LYS 5 HG2 LYS 5 -6.731 -3.216 -8.368 185 HG3 LYS 5 HG1 LYS 5 -7.048 -4.498 -9.537 186 HD2 LYS 5 HD2 LYS 5 -8.105 -2.488 -10.359 187 HD3 LYS 5 HD1 LYS 5 -9.380 -3.570 -9.798 188 HE2 LYS 5 HE2 LYS 5 -9.519 -2.358 -7.677 189 HE3 LYS 5 HE1 LYS 5 -8.184 -1.313 -8.163 190 HZ1 LYS 5 HZ1 LYS 5 -9.669 -0.819 -10.184 191 HZ2 LYS 5 HZ2 LYS 5 -10.038 -0.076 -8.701 192 HZ3 LYS 5 HZ3 LYS 5 -10.931 -1.423 -9.225 193 H LEU 6 HN LEU 6 -7.011 -4.310 -4.998 194 HA LEU 6 HA LEU 6 -4.762 -2.715 -5.477 195 HB2 LEU 6 HB2 LEU 6 -6.355 -2.221 -3.689 196 HB3 LEU 6 HB1 LEU 6 -5.878 -3.689 -2.836 197 HG LEU 6 HG LEU 6 -3.570 -2.820 -2.636 198 HD11 LEU 6 HD11 LEU 6 -3.400 -1.429 -4.589 199 HD12 LEU 6 HD12 LEU 6 -3.249 -0.362 -3.194 200 HD13 LEU 6 HD13 LEU 6 -4.771 -0.445 -4.082 201 HD21 LEU 6 HD21 LEU 6 -4.031 -1.197 -0.928 202 HD22 LEU 6 HD22 LEU 6 -5.395 -2.314 -0.932 203 HD23 LEU 6 HD23 LEU 6 -5.549 -0.730 -1.693 204 H MET 7 HN MET 7 -5.031 -5.819 -3.759 205 HA MET 7 HA MET 7 -2.354 -6.071 -2.982 206 HB2 MET 7 HB2 MET 7 -4.161 -7.540 -2.166 207 HB3 MET 7 HB1 MET 7 -4.279 -8.272 -3.767 208 HG2 MET 7 HG2 MET 7 -2.895 -9.692 -2.354 209 HG3 MET 7 HG1 MET 7 -1.877 -8.947 -3.585 210 HE1 MET 7 HE1 MET 7 0.527 -9.106 -0.583 211 HE2 MET 7 HE2 MET 7 0.303 -9.403 -2.305 212 HE3 MET 7 HE3 MET 7 -0.676 -10.282 -1.133 213 H LYS 8 HN LYS 8 -3.981 -7.184 -5.946 214 HA LYS 8 HA LYS 8 -1.790 -8.443 -7.146 215 HB2 LYS 8 HB2 LYS 8 -4.170 -7.021 -8.350 216 HB3 LYS 8 HB1 LYS 8 -3.001 -7.934 -9.306 217 HG2 LYS 8 HG2 LYS 8 -3.474 -9.951 -7.967 218 HG3 LYS 8 HG1 LYS 8 -4.644 -9.043 -7.010 219 HD2 LYS 8 HD2 LYS 8 -5.976 -8.608 -9.040 220 HD3 LYS 8 HD1 LYS 8 -4.807 -9.512 -10.002 221 HE2 LYS 8 HE2 LYS 8 -5.272 -11.538 -8.676 222 HE3 LYS 8 HE1 LYS 8 -6.436 -10.638 -7.704 223 HZ1 LYS 8 HZ1 LYS 8 -7.617 -11.805 -9.390 224 HZ2 LYS 8 HZ2 LYS 8 -6.594 -11.213 -10.611 225 HZ3 LYS 8 HZ3 LYS 8 -7.647 -10.158 -9.797 226 H ALA 9 HN ALA 9 -2.904 -5.073 -7.400 227 HA ALA 9 HA ALA 9 -0.986 -4.162 -9.224 228 HB1 ALA 9 HB1 ALA 9 -2.299 -2.651 -6.953 229 HB2 ALA 9 HB2 ALA 9 -2.949 -2.837 -8.582 230 HB3 ALA 9 HB3 ALA 9 -1.466 -1.919 -8.324 231 H PHE 10 HN PHE 10 -0.906 -4.218 -5.666 232 HA PHE 10 HA PHE 10 1.585 -2.992 -5.310 233 HB2 PHE 10 HB2 PHE 10 -0.332 -4.059 -3.656 234 HB3 PHE 10 HB1 PHE 10 1.015 -5.175 -3.434 235 HD1 PHE 10 HD1 PHE 10 -0.348 -2.023 -2.497 236 HD2 PHE 10 HD2 PHE 10 3.370 -4.089 -3.083 237 HE1 PHE 10 HE1 PHE 10 0.805 -0.353 -1.070 238 HE2 PHE 10 HE2 PHE 10 4.523 -2.422 -1.655 239 HZ PHE 10 HZ PHE 10 3.240 -0.554 -0.648 240 H GLU 11 HN GLU 11 0.772 -6.438 -5.679 241 HA GLU 11 HA GLU 11 3.356 -7.481 -5.400 242 HB2 GLU 11 HB2 GLU 11 0.982 -8.453 -7.001 243 HB3 GLU 11 HB1 GLU 11 2.464 -9.388 -6.802 244 HG2 GLU 11 HG2 GLU 11 0.709 -8.375 -4.545 245 HG3 GLU 11 HG1 GLU 11 0.768 -10.038 -5.126 246 H SER 12 HN SER 12 1.630 -6.420 -8.326 247 HA SER 12 HA SER 12 3.621 -7.052 -10.191 248 HB2 SER 12 HB2 SER 12 2.529 -5.451 -11.673 249 HB3 SER 12 HB1 SER 12 1.311 -6.377 -10.804 250 HG SER 12 HG SER 12 2.225 -3.742 -10.301 251 H LEU 13 HN LEU 13 3.057 -4.049 -8.367 252 HA LEU 13 HA LEU 13 5.149 -2.536 -9.453 253 HB2 LEU 13 HB2 LEU 13 3.424 -1.541 -8.040 254 HB3 LEU 13 HB1 LEU 13 3.997 -2.468 -6.653 255 HG LEU 13 HG LEU 13 6.083 -0.897 -8.034 256 HD11 LEU 13 HD11 LEU 13 4.192 0.671 -8.205 257 HD12 LEU 13 HD12 LEU 13 5.352 1.234 -7.002 258 HD13 LEU 13 HD13 LEU 13 3.852 0.461 -6.487 259 HD21 LEU 13 HD21 LEU 13 5.191 -1.392 -5.182 260 HD22 LEU 13 HD22 LEU 13 6.515 -0.299 -5.586 261 HD23 LEU 13 HD23 LEU 13 6.633 -2.012 -5.986 262 H LYS 14 HN LYS 14 5.117 -4.672 -6.606 263 HA LYS 14 HA LYS 14 7.757 -4.278 -5.760 264 HB2 LYS 14 HB2 LYS 14 5.900 -6.652 -5.597 265 HB3 LYS 14 HB1 LYS 14 7.512 -6.675 -4.886 266 HG2 LYS 14 HG2 LYS 14 6.976 -4.825 -3.437 267 HG3 LYS 14 HG1 LYS 14 5.434 -4.564 -4.257 268 HD2 LYS 14 HD2 LYS 14 4.561 -6.655 -3.469 269 HD3 LYS 14 HD1 LYS 14 6.143 -7.166 -2.880 270 HE2 LYS 14 HE2 LYS 14 6.122 -5.498 -1.151 271 HE3 LYS 14 HE1 LYS 14 4.683 -4.735 -1.821 272 HZ1 LYS 14 HZ1 LYS 14 4.909 -7.378 -0.510 273 HZ2 LYS 14 HZ2 LYS 14 3.564 -6.951 -1.456 274 HZ3 LYS 14 HZ3 LYS 14 3.938 -6.063 -0.057 275 H SER 15 HN SER 15 6.414 -6.680 -8.025 276 HA SER 15 HA SER 15 8.787 -8.058 -8.591 277 HB2 SER 15 HB2 SER 15 6.376 -7.528 -10.343 278 HB3 SER 15 HB1 SER 15 7.658 -8.669 -10.740 279 HG SER 15 HG SER 15 5.884 -8.706 -8.527 280 H PHE 16 HN PHE 16 7.322 -5.240 -10.198 281 HA PHE 16 HA PHE 16 9.227 -4.904 -12.220 282 HB2 PHE 16 HB2 PHE 16 6.991 -3.471 -11.217 283 HB3 PHE 16 HB1 PHE 16 8.343 -2.341 -11.296 284 HD1 PHE 16 HD1 PHE 16 6.889 -5.140 -13.342 285 HD2 PHE 16 HD2 PHE 16 8.682 -1.236 -13.311 286 HE1 PHE 16 HE1 PHE 16 6.645 -5.008 -15.807 287 HE2 PHE 16 HE2 PHE 16 8.437 -1.104 -15.775 288 HZ PHE 16 HZ PHE 16 7.420 -2.990 -17.023 289 H GLN 17 HN GLN 17 9.108 -3.522 -8.944 290 HA GLN 17 HA GLN 17 11.422 -1.954 -9.088 291 HB2 GLN 17 HB2 GLN 17 9.791 -1.837 -7.236 292 HB3 GLN 17 HB1 GLN 17 10.325 -3.423 -6.679 293 HG2 GLN 17 HG2 GLN 17 12.593 -2.565 -6.329 294 HG3 GLN 17 HG1 GLN 17 12.109 -0.986 -6.946 295 HE21 GLN 17 HE21 GLN 17 13.094 -0.832 -4.438 296 HE22 GLN 17 HE22 GLN 17 11.863 -0.694 -3.278 297 H1 ALA 1 HT1 ALA 1 8.392 13.792 3.436 298 H2 ALA 1 HT2 ALA 1 6.726 14.104 3.311 299 H3 ALA 1 HT3 ALA 1 7.325 12.542 3.017 300 HA ALA 1 HA ALA 1 8.203 12.692 5.427 301 HB1 ALA 1 HB1 ALA 1 7.673 15.033 5.790 302 HB2 ALA 1 HB2 ALA 1 6.623 14.060 6.821 303 HB3 ALA 1 HB3 ALA 1 5.991 14.763 5.333 304 H THR 2 HN THR 2 4.933 13.057 4.041 305 HA THR 2 HA THR 2 3.725 11.061 5.656 306 HB THR 2 HB THR 2 1.887 11.157 4.006 307 HG1 THR 2 HG1 THR 2 2.173 12.552 2.222 308 HG21 THR 2 HG21 THR 2 2.245 12.928 5.785 309 HG22 THR 2 HG22 THR 2 1.297 13.450 4.393 310 HG23 THR 2 HG23 THR 2 2.990 13.924 4.535 311 H LEU 3 HN LEU 3 5.188 10.996 2.428 312 HA LEU 3 HA LEU 3 4.500 8.381 1.705 313 HB2 LEU 3 HB2 LEU 3 6.785 10.193 0.981 314 HB3 LEU 3 HB1 LEU 3 6.731 8.536 0.379 315 HG LEU 3 HG LEU 3 4.317 9.078 -0.356 316 HD11 LEU 3 HD11 LEU 3 4.086 11.571 -0.883 317 HD12 LEU 3 HD12 LEU 3 5.424 11.831 0.237 318 HD13 LEU 3 HD13 LEU 3 3.916 11.122 0.814 319 HD21 LEU 3 HD21 LEU 3 5.206 10.300 -2.417 320 HD22 LEU 3 HD22 LEU 3 6.015 8.784 -2.019 321 HD23 LEU 3 HD23 LEU 3 6.776 10.323 -1.613 322 H GLU 4 HN GLU 4 7.361 9.588 3.442 323 HA GLU 4 HA GLU 4 8.698 7.147 3.742 324 HB2 GLU 4 HB2 GLU 4 8.640 9.617 5.482 325 HB3 GLU 4 HB1 GLU 4 9.717 8.252 5.780 326 HG2 GLU 4 HG2 GLU 4 10.755 8.518 3.608 327 HG3 GLU 4 HG1 GLU 4 9.585 9.754 3.153 328 H LYS 5 HN LYS 5 6.324 8.720 5.875 329 HA LYS 5 HA LYS 5 6.327 6.812 7.922 330 HB2 LYS 5 HB2 LYS 5 5.236 9.017 8.107 331 HB3 LYS 5 HB1 LYS 5 4.003 8.496 6.960 332 HG2 LYS 5 HG2 LYS 5 3.004 7.062 8.470 333 HG3 LYS 5 HG1 LYS 5 4.507 6.770 9.346 334 HD2 LYS 5 HD2 LYS 5 3.002 8.123 10.725 335 HD3 LYS 5 HD1 LYS 5 4.402 9.084 10.252 336 HE2 LYS 5 HE2 LYS 5 3.075 10.065 8.393 337 HE3 LYS 5 HE1 LYS 5 1.672 9.143 8.933 338 HZ1 LYS 5 HZ1 LYS 5 2.418 10.332 11.203 339 HZ2 LYS 5 HZ2 LYS 5 1.270 10.982 10.133 340 HZ3 LYS 5 HZ3 LYS 5 2.883 11.513 10.079 341 H LEU 6 HN LEU 6 4.310 7.011 4.998 342 HA LEU 6 HA LEU 6 2.714 4.762 5.476 343 HB2 LEU 6 HB2 LEU 6 2.221 6.356 3.688 344 HB3 LEU 6 HB1 LEU 6 3.690 5.880 2.836 345 HG LEU 6 HG LEU 6 2.823 3.572 2.634 346 HD11 LEU 6 HD11 LEU 6 1.430 3.388 4.579 347 HD12 LEU 6 HD12 LEU 6 0.358 3.261 3.187 348 HD13 LEU 6 HD13 LEU 6 0.455 4.772 4.090 349 HD21 LEU 6 HD21 LEU 6 1.203 4.032 0.925 350 HD22 LEU 6 HD22 LEU 6 2.317 5.400 0.933 351 HD23 LEU 6 HD23 LEU 6 0.732 5.549 1.691 352 H MET 7 HN MET 7 5.819 5.031 3.759 353 HA MET 7 HA MET 7 6.071 2.354 2.982 354 HB2 MET 7 HB2 MET 7 7.540 4.161 2.166 355 HB3 MET 7 HB1 MET 7 8.272 4.279 3.767 356 HG2 MET 7 HG2 MET 7 9.692 2.895 2.354 357 HG3 MET 7 HG1 MET 7 8.947 1.877 3.585 358 HE1 MET 7 HE1 MET 7 9.106 -0.527 0.583 359 HE2 MET 7 HE2 MET 7 9.403 -0.303 2.305 360 HE3 MET 7 HE3 MET 7 10.282 0.676 1.133 361 H LYS 8 HN LYS 8 7.184 3.981 5.946 362 HA LYS 8 HA LYS 8 8.443 1.790 7.146 363 HB2 LYS 8 HB2 LYS 8 7.021 4.170 8.350 364 HB3 LYS 8 HB1 LYS 8 7.934 3.001 9.306 365 HG2 LYS 8 HG2 LYS 8 9.951 3.474 7.967 366 HG3 LYS 8 HG1 LYS 8 9.043 4.644 7.010 367 HD2 LYS 8 HD2 LYS 8 8.608 5.976 9.040 368 HD3 LYS 8 HD1 LYS 8 9.512 4.807 10.002 369 HE2 LYS 8 HE2 LYS 8 11.538 5.272 8.676 370 HE3 LYS 8 HE1 LYS 8 10.638 6.436 7.704 371 HZ1 LYS 8 HZ1 LYS 8 11.805 7.617 9.390 372 HZ2 LYS 8 HZ2 LYS 8 11.213 6.594 10.611 373 HZ3 LYS 8 HZ3 LYS 8 10.158 7.647 9.797 374 H ALA 9 HN ALA 9 5.073 2.904 7.400 375 HA ALA 9 HA ALA 9 4.162 0.986 9.224 376 HB1 ALA 9 HB1 ALA 9 2.651 2.299 6.953 377 HB2 ALA 9 HB2 ALA 9 2.837 2.949 8.582 378 HB3 ALA 9 HB3 ALA 9 1.919 1.466 8.324 379 H PHE 10 HN PHE 10 4.218 0.906 5.666 380 HA PHE 10 HA PHE 10 2.992 -1.585 5.309 381 HB2 PHE 10 HB2 PHE 10 4.058 0.332 3.656 382 HB3 PHE 10 HB1 PHE 10 5.177 -1.013 3.436 383 HD1 PHE 10 HD1 PHE 10 1.913 0.296 2.661 384 HD2 PHE 10 HD2 PHE 10 4.207 -3.323 2.918 385 HE1 PHE 10 HE1 PHE 10 0.247 -0.861 1.234 386 HE2 PHE 10 HE2 PHE 10 2.544 -4.481 1.489 387 HZ PHE 10 HZ PHE 10 0.563 -3.250 0.647 388 H GLU 11 HN GLU 11 6.438 -0.772 5.679 389 HA GLU 11 HA GLU 11 7.481 -3.356 5.400 390 HB2 GLU 11 HB2 GLU 11 8.453 -0.982 7.001 391 HB3 GLU 11 HB1 GLU 11 9.388 -2.464 6.802 392 HG2 GLU 11 HG2 GLU 11 8.375 -0.709 4.545 393 HG3 GLU 11 HG1 GLU 11 10.038 -0.768 5.126 394 H SER 12 HN SER 12 6.420 -1.630 8.326 395 HA SER 12 HA SER 12 7.053 -3.621 10.191 396 HB2 SER 12 HB2 SER 12 5.441 -2.535 11.668 397 HB3 SER 12 HB1 SER 12 6.385 -1.320 10.812 398 HG SER 12 HG SER 12 4.674 -0.851 9.571 399 H LEU 13 HN LEU 13 4.049 -3.057 8.367 400 HA LEU 13 HA LEU 13 2.538 -5.150 9.454 401 HB2 LEU 13 HB2 LEU 13 1.537 -3.425 8.049 402 HB3 LEU 13 HB1 LEU 13 2.462 -3.991 6.658 403 HG LEU 13 HG LEU 13 0.893 -6.082 8.035 404 HD11 LEU 13 HD11 LEU 13 -0.678 -4.195 8.206 405 HD12 LEU 13 HD12 LEU 13 -1.235 -5.352 6.997 406 HD13 LEU 13 HD13 LEU 13 -0.463 -3.850 6.489 407 HD21 LEU 13 HD21 LEU 13 1.393 -5.188 5.186 408 HD22 LEU 13 HD22 LEU 13 0.301 -6.513 5.586 409 HD23 LEU 13 HD23 LEU 13 2.014 -6.630 5.989 410 H LYS 14 HN LYS 14 4.672 -5.117 6.606 411 HA LYS 14 HA LYS 14 4.278 -7.757 5.760 412 HB2 LYS 14 HB2 LYS 14 6.647 -5.896 5.593 413 HB3 LYS 14 HB1 LYS 14 6.682 -7.513 4.895 414 HG2 LYS 14 HG2 LYS 14 4.838 -6.999 3.431 415 HG3 LYS 14 HG1 LYS 14 4.560 -5.455 4.242 416 HD2 LYS 14 HD2 LYS 14 6.640 -4.563 3.456 417 HD3 LYS 14 HD1 LYS 14 7.180 -6.144 2.893 418 HE2 LYS 14 HE2 LYS 14 5.556 -6.168 1.135 419 HE3 LYS 14 HE1 LYS 14 4.729 -4.758 1.789 420 HZ1 LYS 14 HZ1 LYS 14 7.384 -4.894 0.497 421 HZ2 LYS 14 HZ2 LYS 14 6.932 -3.574 1.467 422 HZ3 LYS 14 HZ3 LYS 14 6.049 -3.941 0.063 423 H SER 15 HN SER 15 6.680 -6.414 8.025 424 HA SER 15 HA SER 15 8.058 -8.786 8.591 425 HB2 SER 15 HB2 SER 15 7.529 -6.375 10.343 426 HB3 SER 15 HB1 SER 15 8.670 -7.659 10.740 427 HG SER 15 HG SER 15 9.006 -5.545 9.147 428 H PHE 16 HN PHE 16 5.240 -7.322 10.198 429 HA PHE 16 HA PHE 16 4.907 -9.233 12.215 430 HB2 PHE 16 HB2 PHE 16 2.832 -7.561 10.775 431 HB3 PHE 16 HB1 PHE 16 2.531 -8.470 12.256 432 HD1 PHE 16 HD1 PHE 16 2.771 -5.293 11.397 433 HD2 PHE 16 HD2 PHE 16 5.026 -8.077 13.767 434 HE1 PHE 16 HE1 PHE 16 3.692 -3.414 12.728 435 HE2 PHE 16 HE2 PHE 16 5.946 -6.199 15.098 436 HZ PHE 16 HZ PHE 16 5.280 -3.867 14.578 437 H GLN 17 HN GLN 17 3.522 -9.108 8.944 438 HA GLN 17 HA GLN 17 1.954 -11.422 9.088 439 HB2 GLN 17 HB2 GLN 17 1.837 -9.791 7.236 440 HB3 GLN 17 HB1 GLN 17 3.423 -10.325 6.679 441 HG2 GLN 17 HG2 GLN 17 2.565 -12.593 6.329 442 HG3 GLN 17 HG1 GLN 17 0.986 -12.109 6.946 443 HE21 GLN 17 HE21 GLN 17 0.832 -13.094 4.438 444 HE22 GLN 17 HE22 GLN 17 0.694 -11.863 3.278 445 H1 ALA 1 HT1 ALA 1 -8.392 -13.792 3.436 446 H2 ALA 1 HT2 ALA 1 -6.726 -14.104 3.311 447 H3 ALA 1 HT3 ALA 1 -7.325 -12.542 3.017 448 HA ALA 1 HA ALA 1 -8.203 -12.692 5.427 449 HB1 ALA 1 HB1 ALA 1 -7.673 -15.033 5.790 450 HB2 ALA 1 HB2 ALA 1 -6.623 -14.060 6.821 451 HB3 ALA 1 HB3 ALA 1 -5.991 -14.763 5.333 452 H THR 2 HN THR 2 -4.933 -13.057 4.041 453 HA THR 2 HA THR 2 -3.725 -11.061 5.656 454 HB THR 2 HB THR 2 -1.887 -11.157 4.006 455 HG1 THR 2 HG1 THR 2 -2.173 -12.552 2.222 456 HG21 THR 2 HG21 THR 2 -2.245 -12.928 5.785 457 HG22 THR 2 HG22 THR 2 -1.297 -13.450 4.393 458 HG23 THR 2 HG23 THR 2 -2.990 -13.924 4.535 459 H LEU 3 HN LEU 3 -5.188 -10.996 2.428 460 HA LEU 3 HA LEU 3 -4.500 -8.381 1.705 461 HB2 LEU 3 HB2 LEU 3 -6.785 -10.193 0.981 462 HB3 LEU 3 HB1 LEU 3 -6.731 -8.536 0.379 463 HG LEU 3 HG LEU 3 -4.317 -9.078 -0.356 464 HD11 LEU 3 HD11 LEU 3 -4.086 -11.571 -0.883 465 HD12 LEU 3 HD12 LEU 3 -5.424 -11.831 0.237 466 HD13 LEU 3 HD13 LEU 3 -3.916 -11.122 0.814 467 HD21 LEU 3 HD21 LEU 3 -5.206 -10.300 -2.417 468 HD22 LEU 3 HD22 LEU 3 -6.015 -8.784 -2.019 469 HD23 LEU 3 HD23 LEU 3 -6.776 -10.323 -1.613 470 H GLU 4 HN GLU 4 -7.361 -9.588 3.442 471 HA GLU 4 HA GLU 4 -8.698 -7.147 3.742 472 HB2 GLU 4 HB2 GLU 4 -8.640 -9.617 5.482 473 HB3 GLU 4 HB1 GLU 4 -9.717 -8.252 5.780 474 HG2 GLU 4 HG2 GLU 4 -10.755 -8.518 3.608 475 HG3 GLU 4 HG1 GLU 4 -9.585 -9.754 3.153 476 H LYS 5 HN LYS 5 -6.324 -8.720 5.875 477 HA LYS 5 HA LYS 5 -6.322 -6.818 7.928 478 HB2 LYS 5 HB2 LYS 5 -5.214 -9.000 8.127 479 HB3 LYS 5 HB1 LYS 5 -4.020 -8.509 6.925 480 HG2 LYS 5 HG2 LYS 5 -3.216 -6.731 8.368 481 HG3 LYS 5 HG1 LYS 5 -4.498 -7.048 9.537 482 HD2 LYS 5 HD2 LYS 5 -2.488 -8.105 10.359 483 HD3 LYS 5 HD1 LYS 5 -3.570 -9.380 9.798 484 HE2 LYS 5 HE2 LYS 5 -2.358 -9.519 7.677 485 HE3 LYS 5 HE1 LYS 5 -1.313 -8.184 8.163 486 HZ1 LYS 5 HZ1 LYS 5 -0.819 -9.669 10.184 487 HZ2 LYS 5 HZ2 LYS 5 -0.076 -10.038 8.701 488 HZ3 LYS 5 HZ3 LYS 5 -1.423 -10.931 9.225 489 H LEU 6 HN LEU 6 -4.310 -7.011 4.998 490 HA LEU 6 HA LEU 6 -2.714 -4.762 5.477 491 HB2 LEU 6 HB2 LEU 6 -2.221 -6.354 3.689 492 HB3 LEU 6 HB1 LEU 6 -3.689 -5.879 2.836 493 HG LEU 6 HG LEU 6 -2.821 -3.570 2.635 494 HD11 LEU 6 HD11 LEU 6 -1.431 -3.395 4.586 495 HD12 LEU 6 HD12 LEU 6 -0.361 -3.252 3.193 496 HD13 LEU 6 HD13 LEU 6 -0.449 -4.770 4.085 497 HD21 LEU 6 HD21 LEU 6 -1.196 -4.032 0.927 498 HD22 LEU 6 HD22 LEU 6 -2.315 -5.394 0.931 499 HD23 LEU 6 HD23 LEU 6 -0.732 -5.552 1.692 500 H MET 7 HN MET 7 -5.819 -5.031 3.759 501 HA MET 7 HA MET 7 -6.071 -2.354 2.982 502 HB2 MET 7 HB2 MET 7 -7.540 -4.161 2.166 503 HB3 MET 7 HB1 MET 7 -8.272 -4.279 3.767 504 HG2 MET 7 HG2 MET 7 -9.692 -2.895 2.354 505 HG3 MET 7 HG1 MET 7 -8.947 -1.877 3.585 506 HE1 MET 7 HE1 MET 7 -9.106 0.527 0.583 507 HE2 MET 7 HE2 MET 7 -9.403 0.303 2.305 508 HE3 MET 7 HE3 MET 7 -10.282 -0.676 1.133 509 H LYS 8 HN LYS 8 -7.184 -3.981 5.946 510 HA LYS 8 HA LYS 8 -8.443 -1.790 7.146 511 HB2 LYS 8 HB2 LYS 8 -7.021 -4.170 8.350 512 HB3 LYS 8 HB1 LYS 8 -7.934 -3.001 9.306 513 HG2 LYS 8 HG2 LYS 8 -9.951 -3.474 7.967 514 HG3 LYS 8 HG1 LYS 8 -9.043 -4.644 7.010 515 HD2 LYS 8 HD2 LYS 8 -8.608 -5.976 9.040 516 HD3 LYS 8 HD1 LYS 8 -9.512 -4.807 10.002 517 HE2 LYS 8 HE2 LYS 8 -11.538 -5.272 8.676 518 HE3 LYS 8 HE1 LYS 8 -10.638 -6.436 7.704 519 HZ1 LYS 8 HZ1 LYS 8 -11.805 -7.617 9.390 520 HZ2 LYS 8 HZ2 LYS 8 -11.213 -6.594 10.611 521 HZ3 LYS 8 HZ3 LYS 8 -10.158 -7.647 9.797 522 H ALA 9 HN ALA 9 -5.073 -2.904 7.400 523 HA ALA 9 HA ALA 9 -4.162 -0.986 9.224 524 HB1 ALA 9 HB1 ALA 9 -2.651 -2.299 6.953 525 HB2 ALA 9 HB2 ALA 9 -2.837 -2.949 8.582 526 HB3 ALA 9 HB3 ALA 9 -1.919 -1.466 8.324 527 H PHE 10 HN PHE 10 -4.218 -0.906 5.666 528 HA PHE 10 HA PHE 10 -2.992 1.585 5.310 529 HB2 PHE 10 HB2 PHE 10 -4.059 -0.332 3.656 530 HB3 PHE 10 HB1 PHE 10 -5.176 1.014 3.435 531 HD1 PHE 10 HD1 PHE 10 -2.063 -0.358 2.439 532 HD2 PHE 10 HD2 PHE 10 -4.053 3.382 3.136 533 HE1 PHE 10 HE1 PHE 10 -0.397 0.795 1.010 534 HE2 PHE 10 HE2 PHE 10 -2.389 4.535 1.706 535 HZ PHE 10 HZ PHE 10 -0.560 3.242 0.642 536 H GLU 11 HN GLU 11 -6.438 0.772 5.679 537 HA GLU 11 HA GLU 11 -7.481 3.356 5.400 538 HB2 GLU 11 HB2 GLU 11 -8.453 0.982 7.001 539 HB3 GLU 11 HB1 GLU 11 -9.388 2.464 6.802 540 HG2 GLU 11 HG2 GLU 11 -8.375 0.709 4.545 541 HG3 GLU 11 HG1 GLU 11 -10.038 0.768 5.126 542 H SER 12 HN SER 12 -6.420 1.630 8.326 543 HA SER 12 HA SER 12 -7.053 3.622 10.190 544 HB2 SER 12 HB2 SER 12 -5.440 2.535 11.668 545 HB3 SER 12 HB1 SER 12 -6.389 1.323 10.814 546 HG SER 12 HG SER 12 -3.708 2.060 10.525 547 H LEU 13 HN LEU 13 -4.049 3.057 8.367 548 HA LEU 13 HA LEU 13 -2.535 5.149 9.452 549 HB2 LEU 13 HB2 LEU 13 -1.542 3.424 8.038 550 HB3 LEU 13 HB1 LEU 13 -2.470 3.999 6.652 551 HG LEU 13 HG LEU 13 -0.898 6.083 8.033 552 HD11 LEU 13 HD11 LEU 13 0.667 4.188 8.204 553 HD12 LEU 13 HD12 LEU 13 1.234 5.353 7.007 554 HD13 LEU 13 HD13 LEU 13 0.462 3.856 6.484 555 HD21 LEU 13 HD21 LEU 13 -1.392 5.192 5.181 556 HD22 LEU 13 HD22 LEU 13 -0.299 6.515 5.585 557 HD23 LEU 13 HD23 LEU 13 -2.012 6.634 5.984 558 H LYS 14 HN LYS 14 -4.672 5.117 6.606 559 HA LYS 14 HA LYS 14 -4.278 7.757 5.761 560 HB2 LYS 14 HB2 LYS 14 -6.652 5.901 5.597 561 HB3 LYS 14 HB1 LYS 14 -6.672 7.511 4.883 562 HG2 LYS 14 HG2 LYS 14 -4.816 6.973 3.441 563 HG3 LYS 14 HG1 LYS 14 -4.563 5.430 4.262 564 HD2 LYS 14 HD2 LYS 14 -6.658 4.565 3.467 565 HD3 LYS 14 HD1 LYS 14 -7.155 6.149 2.871 566 HE2 LYS 14 HE2 LYS 14 -5.468 6.114 1.157 567 HE3 LYS 14 HE1 LYS 14 -4.730 4.665 1.832 568 HZ1 LYS 14 HZ1 LYS 14 -7.365 4.924 0.508 569 HZ2 LYS 14 HZ2 LYS 14 -6.949 3.568 1.444 570 HZ3 LYS 14 HZ3 LYS 14 -6.055 3.948 0.050 571 H SER 15 HN SER 15 -6.680 6.414 8.025 572 HA SER 15 HA SER 15 -8.058 8.787 8.591 573 HB2 SER 15 HB2 SER 15 -8.869 6.580 9.304 574 HB3 SER 15 HB1 SER 15 -7.511 6.429 10.415 575 HG SER 15 HG SER 15 -8.341 8.019 11.654 576 H PHE 16 HN PHE 16 -5.240 7.322 10.198 577 HA PHE 16 HA PHE 16 -4.900 9.224 12.222 578 HB2 PHE 16 HB2 PHE 16 -3.682 7.133 12.254 579 HB3 PHE 16 HB1 PHE 16 -2.868 7.537 10.744 580 HD1 PHE 16 HD1 PHE 16 -3.315 8.695 14.271 581 HD2 PHE 16 HD2 PHE 16 -0.853 8.755 10.751 582 HE1 PHE 16 HE1 PHE 16 -1.527 9.855 15.540 583 HE2 PHE 16 HE2 PHE 16 0.935 9.915 12.023 584 HZ PHE 16 HZ PHE 16 0.597 10.463 14.416 585 H GLN 17 HN GLN 17 -3.522 9.108 8.944 586 HA GLN 17 HA GLN 17 -1.954 11.422 9.088 587 HB2 GLN 17 HB2 GLN 17 -1.838 9.790 7.236 588 HB3 GLN 17 HB1 GLN 17 -3.424 10.325 6.679 589 HG2 GLN 17 HG2 GLN 17 -2.563 12.593 6.329 590 HG3 GLN 17 HG1 GLN 17 -0.985 12.107 6.945 591 HE21 GLN 17 HE21 GLN 17 -0.833 13.092 4.436 592 HE22 GLN 17 HE22 GLN 17 -0.693 11.859 3.277 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 13.712 8.417 -7.377 2 H2 ALA 1 HT2 ALA 1 14.069 9.721 -6.348 3 H3 ALA 1 HT3 ALA 1 12.456 9.256 -6.607 4 HA ALA 1 HA ALA 1 14.509 7.555 -5.305 5 HB1 ALA 1 HB1 ALA 1 14.123 9.266 -3.743 6 HB2 ALA 1 HB2 ALA 1 12.929 8.051 -3.287 7 HB3 ALA 1 HB3 ALA 1 12.439 9.459 -4.229 8 H THR 2 HN THR 2 13.653 5.595 -4.495 9 HA THR 2 HA THR 2 11.690 4.367 -6.127 10 HB THR 2 HB THR 2 11.902 2.462 -4.568 11 HG1 THR 2 HG1 THR 2 12.163 3.245 -2.600 12 HG21 THR 2 HG21 THR 2 14.372 2.164 -4.814 13 HG22 THR 2 HG22 THR 2 14.492 3.856 -5.296 14 HG23 THR 2 HG23 THR 2 13.594 2.716 -6.297 15 H LEU 3 HN LEU 3 11.596 5.710 -2.851 16 HA LEU 3 HA LEU 3 9.037 4.849 -2.104 17 HB2 LEU 3 HB2 LEU 3 10.457 7.429 -1.392 18 HB3 LEU 3 HB1 LEU 3 9.065 6.762 -0.540 19 HG LEU 3 HG LEU 3 11.728 5.348 -0.875 20 HD11 LEU 3 HD11 LEU 3 12.048 7.199 0.620 21 HD12 LEU 3 HD12 LEU 3 11.851 5.766 1.630 22 HD13 LEU 3 HD13 LEU 3 10.510 6.893 1.427 23 HD21 LEU 3 HD21 LEU 3 10.726 3.868 0.919 24 HD22 LEU 3 HD22 LEU 3 9.933 3.748 -0.650 25 HD23 LEU 3 HD23 LEU 3 9.188 4.686 0.645 26 H GLU 4 HN GLU 4 10.045 7.824 -3.777 27 HA GLU 4 HA GLU 4 7.526 9.024 -3.996 28 HB2 GLU 4 HB2 GLU 4 9.963 9.162 -5.778 29 HB3 GLU 4 HB1 GLU 4 8.533 10.166 -6.021 30 HG2 GLU 4 HG2 GLU 4 8.778 11.153 -3.822 31 HG3 GLU 4 HG1 GLU 4 10.089 10.044 -3.424 32 H LYS 5 HN LYS 5 9.196 6.810 -6.225 33 HA LYS 5 HA LYS 5 7.261 6.755 -8.247 34 HB2 LYS 5 HB2 LYS 5 9.505 5.783 -8.505 35 HB3 LYS 5 HB1 LYS 5 9.094 4.520 -7.343 36 HG2 LYS 5 HG2 LYS 5 7.283 3.738 -8.811 37 HG3 LYS 5 HG1 LYS 5 7.657 5.016 -9.968 38 HD2 LYS 5 HD2 LYS 5 9.929 4.082 -10.258 39 HD3 LYS 5 HD1 LYS 5 9.537 2.791 -9.121 40 HE2 LYS 5 HE2 LYS 5 8.055 3.323 -11.713 41 HE3 LYS 5 HE1 LYS 5 9.269 2.065 -11.485 42 HZ1 LYS 5 HZ1 LYS 5 7.340 0.929 -11.069 43 HZ2 LYS 5 HZ2 LYS 5 6.562 2.263 -10.360 44 HZ3 LYS 5 HZ3 LYS 5 7.756 1.415 -9.499 45 H LEU 6 HN LEU 6 7.623 4.675 -5.382 46 HA LEU 6 HA LEU 6 5.464 2.961 -5.868 47 HB2 LEU 6 HB2 LEU 6 7.114 2.515 -4.122 48 HB3 LEU 6 HB1 LEU 6 6.570 3.932 -3.223 49 HG LEU 6 HG LEU 6 4.421 2.047 -3.960 50 HD11 LEU 6 HD11 LEU 6 6.281 0.480 -3.440 51 HD12 LEU 6 HD12 LEU 6 5.004 0.416 -2.225 52 HD13 LEU 6 HD13 LEU 6 6.501 1.286 -1.886 53 HD21 LEU 6 HD21 LEU 6 3.908 3.891 -2.519 54 HD22 LEU 6 HD22 LEU 6 5.303 3.563 -1.491 55 HD23 LEU 6 HD23 LEU 6 3.925 2.462 -1.486 56 H MET 7 HN MET 7 5.581 6.026 -4.066 57 HA MET 7 HA MET 7 2.909 6.100 -3.237 58 HB2 MET 7 HB2 MET 7 4.641 7.651 -2.413 59 HB3 MET 7 HB1 MET 7 4.689 8.430 -3.995 60 HG2 MET 7 HG2 MET 7 3.246 9.749 -2.576 61 HG3 MET 7 HG1 MET 7 2.225 8.913 -3.743 62 HE1 MET 7 HE1 MET 7 1.115 10.239 -1.406 63 HE2 MET 7 HE2 MET 7 0.141 9.115 -0.462 64 HE3 MET 7 HE3 MET 7 -0.021 9.152 -2.216 65 H LYS 8 HN LYS 8 4.414 7.391 -6.192 66 HA LYS 8 HA LYS 8 2.132 8.554 -7.320 67 HB2 LYS 8 HB2 LYS 8 4.571 7.311 -8.603 68 HB3 LYS 8 HB1 LYS 8 3.333 8.178 -9.514 69 HG2 LYS 8 HG2 LYS 8 3.707 10.181 -8.120 70 HG3 LYS 8 HG1 LYS 8 4.952 9.318 -7.216 71 HD2 LYS 8 HD2 LYS 8 6.285 9.047 -9.255 72 HD3 LYS 8 HD1 LYS 8 5.027 9.844 -10.202 73 HE2 LYS 8 HE2 LYS 8 6.805 11.445 -9.663 74 HE3 LYS 8 HE1 LYS 8 5.318 11.892 -8.827 75 HZ1 LYS 8 HZ1 LYS 8 6.142 11.245 -6.812 76 HZ2 LYS 8 HZ2 LYS 8 7.571 11.788 -7.554 77 HZ3 LYS 8 HZ3 LYS 8 7.230 10.125 -7.474 78 H ALA 9 HN ALA 9 3.437 5.264 -7.693 79 HA ALA 9 HA ALA 9 1.540 4.297 -9.513 80 HB1 ALA 9 HB1 ALA 9 3.138 2.907 -7.359 81 HB2 ALA 9 HB2 ALA 9 3.483 2.980 -9.087 82 HB3 ALA 9 HB3 ALA 9 2.111 2.040 -8.501 83 H PHE 10 HN PHE 10 1.524 4.243 -5.954 84 HA PHE 10 HA PHE 10 -0.887 2.864 -5.600 85 HB2 PHE 10 HB2 PHE 10 0.702 3.361 -3.770 86 HB3 PHE 10 HB1 PHE 10 0.237 5.062 -3.851 87 HD1 PHE 10 HD1 PHE 10 -1.048 1.628 -3.229 88 HD2 PHE 10 HD2 PHE 10 -1.783 5.844 -2.854 89 HE1 PHE 10 HE1 PHE 10 -3.019 1.157 -1.804 90 HE2 PHE 10 HE2 PHE 10 -3.755 5.371 -1.425 91 HZ PHE 10 HZ PHE 10 -4.372 3.026 -0.902 92 H GLU 11 HN GLU 11 -0.281 6.360 -5.872 93 HA GLU 11 HA GLU 11 -2.915 7.240 -5.519 94 HB2 GLU 11 HB2 GLU 11 -0.628 8.393 -7.125 95 HB3 GLU 11 HB1 GLU 11 -2.159 9.234 -6.883 96 HG2 GLU 11 HG2 GLU 11 -0.315 8.268 -4.677 97 HG3 GLU 11 HG1 GLU 11 -0.482 9.939 -5.212 98 H SER 12 HN SER 12 -1.184 6.368 -8.504 99 HA SER 12 HA SER 12 -3.242 6.937 -10.317 100 HB2 SER 12 HB2 SER 12 -2.092 5.432 -11.858 101 HB3 SER 12 HB1 SER 12 -0.921 6.429 -11.000 102 HG SER 12 HG SER 12 -0.329 4.716 -9.804 103 H LEU 13 HN LEU 13 -2.472 3.919 -8.594 104 HA LEU 13 HA LEU 13 -4.489 2.318 -9.691 105 HB2 LEU 13 HB2 LEU 13 -2.677 1.397 -8.327 106 HB3 LEU 13 HB1 LEU 13 -3.295 2.241 -6.908 107 HG LEU 13 HG LEU 13 -5.414 0.971 -7.085 108 HD11 LEU 13 HD11 LEU 13 -5.356 -1.044 -8.651 109 HD12 LEU 13 HD12 LEU 13 -3.980 -0.275 -9.441 110 HD13 LEU 13 HD13 LEU 13 -5.552 0.524 -9.433 111 HD21 LEU 13 HD21 LEU 13 -4.394 -1.314 -6.588 112 HD22 LEU 13 HD22 LEU 13 -3.761 0.023 -5.628 113 HD23 LEU 13 HD23 LEU 13 -2.830 -0.606 -6.987 114 H LYS 14 HN LYS 14 -4.532 4.368 -6.782 115 HA LYS 14 HA LYS 14 -7.133 3.783 -5.934 116 HB2 LYS 14 HB2 LYS 14 -5.324 6.150 -5.573 117 HB3 LYS 14 HB1 LYS 14 -6.990 6.216 -4.996 118 HG2 LYS 14 HG2 LYS 14 -5.219 3.873 -4.317 119 HG3 LYS 14 HG1 LYS 14 -5.170 5.354 -3.357 120 HD2 LYS 14 HD2 LYS 14 -7.598 5.194 -2.967 121 HD3 LYS 14 HD1 LYS 14 -7.661 3.721 -3.933 122 HE2 LYS 14 HE2 LYS 14 -5.953 4.030 -1.452 123 HE3 LYS 14 HE1 LYS 14 -7.563 3.313 -1.450 124 HZ1 LYS 14 HZ1 LYS 14 -5.277 2.356 -3.086 125 HZ2 LYS 14 HZ2 LYS 14 -6.819 1.647 -3.001 126 HZ3 LYS 14 HZ3 LYS 14 -5.803 1.644 -1.640 127 H SER 15 HN SER 15 -5.969 6.337 -8.118 128 HA SER 15 HA SER 15 -8.428 7.589 -8.602 129 HB2 SER 15 HB2 SER 15 -6.023 7.255 -10.409 130 HB3 SER 15 HB1 SER 15 -7.376 8.329 -10.750 131 HG SER 15 HG SER 15 -5.479 9.237 -9.607 132 H PHE 16 HN PHE 16 -6.830 4.911 -10.318 133 HA PHE 16 HA PHE 16 -8.749 4.523 -12.319 134 HB2 PHE 16 HB2 PHE 16 -6.568 3.425 -12.384 135 HB3 PHE 16 HB1 PHE 16 -6.982 2.478 -10.954 136 HD1 PHE 16 HD1 PHE 16 -7.935 3.133 -14.493 137 HD2 PHE 16 HD2 PHE 16 -8.307 0.506 -11.116 138 HE1 PHE 16 HE1 PHE 16 -9.051 1.446 -15.928 139 HE2 PHE 16 HE2 PHE 16 -9.422 -1.179 -12.551 140 HZ PHE 16 HZ PHE 16 -9.794 -0.711 -14.956 141 H GLN 17 HN GLN 17 -8.490 3.054 -9.088 142 HA GLN 17 HA GLN 17 -10.712 1.358 -9.243 143 HB2 GLN 17 HB2 GLN 17 -8.890 1.581 -7.402 144 HB3 GLN 17 HB1 GLN 17 -9.976 2.782 -6.701 145 HG2 GLN 17 HG2 GLN 17 -11.014 0.078 -7.523 146 HG3 GLN 17 HG1 GLN 17 -10.234 0.300 -5.958 147 HE21 GLN 17 HE21 GLN 17 -13.128 -0.276 -6.518 148 HE22 GLN 17 HE22 GLN 17 -13.987 1.006 -5.809 149 H1 ALA 1 HT1 ALA 1 -13.712 -8.417 -7.377 150 H2 ALA 1 HT2 ALA 1 -14.069 -9.721 -6.348 151 H3 ALA 1 HT3 ALA 1 -12.456 -9.256 -6.607 152 HA ALA 1 HA ALA 1 -14.509 -7.555 -5.305 153 HB1 ALA 1 HB1 ALA 1 -14.123 -9.266 -3.743 154 HB2 ALA 1 HB2 ALA 1 -12.929 -8.051 -3.287 155 HB3 ALA 1 HB3 ALA 1 -12.439 -9.459 -4.229 156 H THR 2 HN THR 2 -13.653 -5.595 -4.495 157 HA THR 2 HA THR 2 -11.690 -4.367 -6.127 158 HB THR 2 HB THR 2 -11.902 -2.462 -4.568 159 HG1 THR 2 HG1 THR 2 -12.163 -3.245 -2.600 160 HG21 THR 2 HG21 THR 2 -14.372 -2.164 -4.814 161 HG22 THR 2 HG22 THR 2 -14.492 -3.856 -5.296 162 HG23 THR 2 HG23 THR 2 -13.594 -2.716 -6.297 163 H LEU 3 HN LEU 3 -11.596 -5.710 -2.851 164 HA LEU 3 HA LEU 3 -9.037 -4.849 -2.104 165 HB2 LEU 3 HB2 LEU 3 -10.457 -7.429 -1.392 166 HB3 LEU 3 HB1 LEU 3 -9.065 -6.762 -0.540 167 HG LEU 3 HG LEU 3 -11.728 -5.348 -0.875 168 HD11 LEU 3 HD11 LEU 3 -12.048 -7.199 0.620 169 HD12 LEU 3 HD12 LEU 3 -11.851 -5.766 1.630 170 HD13 LEU 3 HD13 LEU 3 -10.510 -6.893 1.427 171 HD21 LEU 3 HD21 LEU 3 -10.726 -3.868 0.919 172 HD22 LEU 3 HD22 LEU 3 -9.933 -3.748 -0.650 173 HD23 LEU 3 HD23 LEU 3 -9.188 -4.686 0.645 174 H GLU 4 HN GLU 4 -10.045 -7.824 -3.777 175 HA GLU 4 HA GLU 4 -7.526 -9.024 -3.996 176 HB2 GLU 4 HB2 GLU 4 -9.963 -9.162 -5.778 177 HB3 GLU 4 HB1 GLU 4 -8.533 -10.166 -6.021 178 HG2 GLU 4 HG2 GLU 4 -8.778 -11.153 -3.822 179 HG3 GLU 4 HG1 GLU 4 -10.089 -10.044 -3.424 180 H LYS 5 HN LYS 5 -9.196 -6.810 -6.225 181 HA LYS 5 HA LYS 5 -7.258 -6.757 -8.243 182 HB2 LYS 5 HB2 LYS 5 -9.575 -5.775 -8.363 183 HB3 LYS 5 HB1 LYS 5 -8.979 -4.419 -7.405 184 HG2 LYS 5 HG2 LYS 5 -7.361 -3.840 -9.102 185 HG3 LYS 5 HG1 LYS 5 -7.721 -5.306 -10.015 186 HD2 LYS 5 HD2 LYS 5 -10.093 -4.478 -10.249 187 HD3 LYS 5 HD1 LYS 5 -9.565 -2.950 -9.542 188 HE2 LYS 5 HE2 LYS 5 -8.318 -4.197 -12.005 189 HE3 LYS 5 HE1 LYS 5 -9.563 -2.952 -12.056 190 HZ1 LYS 5 HZ1 LYS 5 -7.433 -1.917 -12.229 191 HZ2 LYS 5 HZ2 LYS 5 -6.860 -2.726 -10.849 192 HZ3 LYS 5 HZ3 LYS 5 -8.070 -1.543 -10.702 193 H LEU 6 HN LEU 6 -7.623 -4.675 -5.382 194 HA LEU 6 HA LEU 6 -5.464 -2.961 -5.868 195 HB2 LEU 6 HB2 LEU 6 -7.114 -2.515 -4.122 196 HB3 LEU 6 HB1 LEU 6 -6.570 -3.932 -3.223 197 HG LEU 6 HG LEU 6 -4.421 -2.047 -3.960 198 HD11 LEU 6 HD11 LEU 6 -6.281 -0.480 -3.440 199 HD12 LEU 6 HD12 LEU 6 -5.004 -0.416 -2.225 200 HD13 LEU 6 HD13 LEU 6 -6.501 -1.286 -1.886 201 HD21 LEU 6 HD21 LEU 6 -3.908 -3.891 -2.519 202 HD22 LEU 6 HD22 LEU 6 -5.303 -3.563 -1.491 203 HD23 LEU 6 HD23 LEU 6 -3.925 -2.462 -1.486 204 H MET 7 HN MET 7 -5.581 -6.026 -4.066 205 HA MET 7 HA MET 7 -2.909 -6.100 -3.237 206 HB2 MET 7 HB2 MET 7 -4.641 -7.651 -2.413 207 HB3 MET 7 HB1 MET 7 -4.689 -8.430 -3.995 208 HG2 MET 7 HG2 MET 7 -3.246 -9.749 -2.576 209 HG3 MET 7 HG1 MET 7 -2.225 -8.913 -3.743 210 HE1 MET 7 HE1 MET 7 -1.115 -10.239 -1.406 211 HE2 MET 7 HE2 MET 7 -0.141 -9.115 -0.462 212 HE3 MET 7 HE3 MET 7 0.021 -9.152 -2.216 213 H LYS 8 HN LYS 8 -4.414 -7.391 -6.192 214 HA LYS 8 HA LYS 8 -2.132 -8.554 -7.320 215 HB2 LYS 8 HB2 LYS 8 -4.571 -7.311 -8.603 216 HB3 LYS 8 HB1 LYS 8 -3.333 -8.178 -9.514 217 HG2 LYS 8 HG2 LYS 8 -3.707 -10.181 -8.120 218 HG3 LYS 8 HG1 LYS 8 -4.952 -9.318 -7.216 219 HD2 LYS 8 HD2 LYS 8 -6.285 -9.047 -9.255 220 HD3 LYS 8 HD1 LYS 8 -5.027 -9.844 -10.202 221 HE2 LYS 8 HE2 LYS 8 -6.805 -11.445 -9.663 222 HE3 LYS 8 HE1 LYS 8 -5.318 -11.892 -8.827 223 HZ1 LYS 8 HZ1 LYS 8 -6.142 -11.245 -6.812 224 HZ2 LYS 8 HZ2 LYS 8 -7.571 -11.788 -7.554 225 HZ3 LYS 8 HZ3 LYS 8 -7.230 -10.125 -7.474 226 H ALA 9 HN ALA 9 -3.437 -5.264 -7.693 227 HA ALA 9 HA ALA 9 -1.540 -4.297 -9.513 228 HB1 ALA 9 HB1 ALA 9 -3.254 -2.984 -7.421 229 HB2 ALA 9 HB2 ALA 9 -3.389 -2.901 -9.177 230 HB3 ALA 9 HB3 ALA 9 -2.090 -2.040 -8.351 231 H PHE 10 HN PHE 10 -1.524 -4.243 -5.954 232 HA PHE 10 HA PHE 10 0.887 -2.864 -5.600 233 HB2 PHE 10 HB2 PHE 10 -0.702 -3.361 -3.770 234 HB3 PHE 10 HB1 PHE 10 -0.237 -5.062 -3.851 235 HD1 PHE 10 HD1 PHE 10 1.048 -1.628 -3.229 236 HD2 PHE 10 HD2 PHE 10 1.783 -5.844 -2.854 237 HE1 PHE 10 HE1 PHE 10 3.019 -1.157 -1.804 238 HE2 PHE 10 HE2 PHE 10 3.755 -5.371 -1.425 239 HZ PHE 10 HZ PHE 10 4.372 -3.026 -0.902 240 H GLU 11 HN GLU 11 0.281 -6.360 -5.872 241 HA GLU 11 HA GLU 11 2.915 -7.240 -5.519 242 HB2 GLU 11 HB2 GLU 11 0.628 -8.393 -7.125 243 HB3 GLU 11 HB1 GLU 11 2.159 -9.234 -6.883 244 HG2 GLU 11 HG2 GLU 11 0.315 -8.268 -4.677 245 HG3 GLU 11 HG1 GLU 11 0.482 -9.939 -5.212 246 H SER 12 HN SER 12 1.184 -6.368 -8.504 247 HA SER 12 HA SER 12 3.242 -6.937 -10.316 248 HB2 SER 12 HB2 SER 12 2.094 -5.416 -11.854 249 HB3 SER 12 HB1 SER 12 0.933 -6.440 -11.016 250 HG SER 12 HG SER 12 0.337 -4.752 -9.773 251 H LEU 13 HN LEU 13 2.472 -3.919 -8.594 252 HA LEU 13 HA LEU 13 4.489 -2.318 -9.691 253 HB2 LEU 13 HB2 LEU 13 2.677 -1.396 -8.328 254 HB3 LEU 13 HB1 LEU 13 3.294 -2.240 -6.909 255 HG LEU 13 HG LEU 13 5.414 -0.971 -7.085 256 HD11 LEU 13 HD11 LEU 13 5.354 1.045 -8.650 257 HD12 LEU 13 HD12 LEU 13 3.980 0.274 -9.442 258 HD13 LEU 13 HD13 LEU 13 5.554 -0.522 -9.432 259 HD21 LEU 13 HD21 LEU 13 4.395 1.314 -6.587 260 HD22 LEU 13 HD22 LEU 13 3.761 -0.023 -5.628 261 HD23 LEU 13 HD23 LEU 13 2.830 0.606 -6.987 262 H LYS 14 HN LYS 14 4.532 -4.368 -6.782 263 HA LYS 14 HA LYS 14 7.133 -3.783 -5.934 264 HB2 LYS 14 HB2 LYS 14 5.324 -6.150 -5.573 265 HB3 LYS 14 HB1 LYS 14 6.990 -6.216 -4.996 266 HG2 LYS 14 HG2 LYS 14 5.219 -3.873 -4.317 267 HG3 LYS 14 HG1 LYS 14 5.170 -5.354 -3.357 268 HD2 LYS 14 HD2 LYS 14 7.598 -5.194 -2.967 269 HD3 LYS 14 HD1 LYS 14 7.661 -3.721 -3.933 270 HE2 LYS 14 HE2 LYS 14 5.953 -4.030 -1.452 271 HE3 LYS 14 HE1 LYS 14 7.563 -3.313 -1.450 272 HZ1 LYS 14 HZ1 LYS 14 5.277 -2.356 -3.086 273 HZ2 LYS 14 HZ2 LYS 14 6.819 -1.647 -3.001 274 HZ3 LYS 14 HZ3 LYS 14 5.803 -1.644 -1.640 275 H SER 15 HN SER 15 5.969 -6.337 -8.118 276 HA SER 15 HA SER 15 8.428 -7.589 -8.602 277 HB2 SER 15 HB2 SER 15 6.286 -8.550 -9.324 278 HB3 SER 15 HB1 SER 15 6.075 -7.237 -10.479 279 HG SER 15 HG SER 15 7.962 -9.335 -10.462 280 H PHE 16 HN PHE 16 6.830 -4.911 -10.318 281 HA PHE 16 HA PHE 16 8.751 -4.525 -12.317 282 HB2 PHE 16 HB2 PHE 16 6.752 -2.710 -11.000 283 HB3 PHE 16 HB1 PHE 16 7.892 -2.074 -12.186 284 HD1 PHE 16 HD1 PHE 16 4.714 -3.518 -11.783 285 HD2 PHE 16 HD2 PHE 16 8.131 -3.591 -14.384 286 HE1 PHE 16 HE1 PHE 16 3.299 -4.402 -13.616 287 HE2 PHE 16 HE2 PHE 16 6.715 -4.476 -16.218 288 HZ PHE 16 HZ PHE 16 4.299 -4.880 -15.834 289 H GLN 17 HN GLN 17 8.490 -3.054 -9.088 290 HA GLN 17 HA GLN 17 10.712 -1.358 -9.243 291 HB2 GLN 17 HB2 GLN 17 8.890 -1.581 -7.402 292 HB3 GLN 17 HB1 GLN 17 9.976 -2.782 -6.701 293 HG2 GLN 17 HG2 GLN 17 11.014 -0.078 -7.523 294 HG3 GLN 17 HG1 GLN 17 10.234 -0.300 -5.958 295 HE21 GLN 17 HE21 GLN 17 13.128 0.276 -6.517 296 HE22 GLN 17 HE22 GLN 17 13.987 -1.006 -5.809 297 H1 ALA 1 HT1 ALA 1 8.417 13.712 7.377 298 H2 ALA 1 HT2 ALA 1 9.721 14.069 6.348 299 H3 ALA 1 HT3 ALA 1 9.256 12.456 6.607 300 HA ALA 1 HA ALA 1 7.555 14.509 5.305 301 HB1 ALA 1 HB1 ALA 1 9.266 14.123 3.743 302 HB2 ALA 1 HB2 ALA 1 8.051 12.929 3.287 303 HB3 ALA 1 HB3 ALA 1 9.459 12.439 4.229 304 H THR 2 HN THR 2 5.595 13.653 4.495 305 HA THR 2 HA THR 2 4.367 11.690 6.127 306 HB THR 2 HB THR 2 2.462 11.902 4.568 307 HG1 THR 2 HG1 THR 2 3.245 12.163 2.600 308 HG21 THR 2 HG21 THR 2 2.164 14.372 4.814 309 HG22 THR 2 HG22 THR 2 3.856 14.492 5.296 310 HG23 THR 2 HG23 THR 2 2.716 13.594 6.297 311 H LEU 3 HN LEU 3 5.710 11.596 2.851 312 HA LEU 3 HA LEU 3 4.849 9.037 2.104 313 HB2 LEU 3 HB2 LEU 3 7.429 10.457 1.392 314 HB3 LEU 3 HB1 LEU 3 6.762 9.065 0.540 315 HG LEU 3 HG LEU 3 5.348 11.728 0.875 316 HD11 LEU 3 HD11 LEU 3 7.199 12.048 -0.620 317 HD12 LEU 3 HD12 LEU 3 5.766 11.851 -1.630 318 HD13 LEU 3 HD13 LEU 3 6.893 10.510 -1.427 319 HD21 LEU 3 HD21 LEU 3 3.868 10.726 -0.919 320 HD22 LEU 3 HD22 LEU 3 3.748 9.933 0.650 321 HD23 LEU 3 HD23 LEU 3 4.686 9.188 -0.645 322 H GLU 4 HN GLU 4 7.824 10.045 3.777 323 HA GLU 4 HA GLU 4 9.024 7.526 3.996 324 HB2 GLU 4 HB2 GLU 4 9.162 9.963 5.778 325 HB3 GLU 4 HB1 GLU 4 10.166 8.533 6.021 326 HG2 GLU 4 HG2 GLU 4 11.153 8.778 3.822 327 HG3 GLU 4 HG1 GLU 4 10.044 10.089 3.424 328 H LYS 5 HN LYS 5 6.810 9.196 6.225 329 HA LYS 5 HA LYS 5 6.757 7.258 8.244 330 HB2 LYS 5 HB2 LYS 5 5.776 9.575 8.363 331 HB3 LYS 5 HB1 LYS 5 4.419 8.980 7.405 332 HG2 LYS 5 HG2 LYS 5 3.839 7.362 9.101 333 HG3 LYS 5 HG1 LYS 5 5.305 7.721 10.014 334 HD2 LYS 5 HD2 LYS 5 4.477 10.094 10.246 335 HD3 LYS 5 HD1 LYS 5 2.949 9.563 9.541 336 HE2 LYS 5 HE2 LYS 5 4.200 8.321 12.005 337 HE3 LYS 5 HE1 LYS 5 2.952 9.565 12.055 338 HZ1 LYS 5 HZ1 LYS 5 1.926 7.430 12.233 339 HZ2 LYS 5 HZ2 LYS 5 2.729 6.862 10.848 340 HZ3 LYS 5 HZ3 LYS 5 1.542 8.069 10.709 341 H LEU 6 HN LEU 6 4.675 7.623 5.382 342 HA LEU 6 HA LEU 6 2.961 5.464 5.868 343 HB2 LEU 6 HB2 LEU 6 2.515 7.114 4.122 344 HB3 LEU 6 HB1 LEU 6 3.932 6.570 3.223 345 HG LEU 6 HG LEU 6 2.047 4.421 3.960 346 HD11 LEU 6 HD11 LEU 6 0.480 6.281 3.440 347 HD12 LEU 6 HD12 LEU 6 0.416 5.004 2.225 348 HD13 LEU 6 HD13 LEU 6 1.286 6.501 1.886 349 HD21 LEU 6 HD21 LEU 6 3.891 3.908 2.519 350 HD22 LEU 6 HD22 LEU 6 3.563 5.303 1.491 351 HD23 LEU 6 HD23 LEU 6 2.462 3.925 1.486 352 H MET 7 HN MET 7 6.026 5.581 4.066 353 HA MET 7 HA MET 7 6.100 2.909 3.237 354 HB2 MET 7 HB2 MET 7 7.651 4.641 2.413 355 HB3 MET 7 HB1 MET 7 8.430 4.689 3.995 356 HG2 MET 7 HG2 MET 7 9.749 3.246 2.576 357 HG3 MET 7 HG1 MET 7 8.913 2.225 3.743 358 HE1 MET 7 HE1 MET 7 10.239 1.115 1.406 359 HE2 MET 7 HE2 MET 7 9.115 0.141 0.462 360 HE3 MET 7 HE3 MET 7 9.152 -0.021 2.216 361 H LYS 8 HN LYS 8 7.391 4.414 6.192 362 HA LYS 8 HA LYS 8 8.554 2.132 7.320 363 HB2 LYS 8 HB2 LYS 8 7.311 4.571 8.603 364 HB3 LYS 8 HB1 LYS 8 8.178 3.333 9.514 365 HG2 LYS 8 HG2 LYS 8 10.181 3.707 8.120 366 HG3 LYS 8 HG1 LYS 8 9.318 4.952 7.216 367 HD2 LYS 8 HD2 LYS 8 9.047 6.285 9.255 368 HD3 LYS 8 HD1 LYS 8 9.844 5.027 10.202 369 HE2 LYS 8 HE2 LYS 8 11.445 6.805 9.663 370 HE3 LYS 8 HE1 LYS 8 11.892 5.318 8.827 371 HZ1 LYS 8 HZ1 LYS 8 11.245 6.142 6.812 372 HZ2 LYS 8 HZ2 LYS 8 11.788 7.571 7.554 373 HZ3 LYS 8 HZ3 LYS 8 10.125 7.230 7.474 374 H ALA 9 HN ALA 9 5.264 3.437 7.693 375 HA ALA 9 HA ALA 9 4.297 1.540 9.513 376 HB1 ALA 9 HB1 ALA 9 2.974 3.237 7.410 377 HB2 ALA 9 HB2 ALA 9 2.913 3.403 9.165 378 HB3 ALA 9 HB3 ALA 9 2.039 2.092 8.373 379 H PHE 10 HN PHE 10 4.243 1.524 5.954 380 HA PHE 10 HA PHE 10 2.864 -0.887 5.600 381 HB2 PHE 10 HB2 PHE 10 3.361 0.702 3.770 382 HB3 PHE 10 HB1 PHE 10 5.062 0.237 3.851 383 HD1 PHE 10 HD1 PHE 10 1.628 -1.048 3.229 384 HD2 PHE 10 HD2 PHE 10 5.844 -1.783 2.854 385 HE1 PHE 10 HE1 PHE 10 1.157 -3.019 1.804 386 HE2 PHE 10 HE2 PHE 10 5.371 -3.755 1.425 387 HZ PHE 10 HZ PHE 10 3.026 -4.372 0.902 388 H GLU 11 HN GLU 11 6.360 -0.281 5.872 389 HA GLU 11 HA GLU 11 7.240 -2.915 5.519 390 HB2 GLU 11 HB2 GLU 11 8.393 -0.628 7.125 391 HB3 GLU 11 HB1 GLU 11 9.234 -2.159 6.883 392 HG2 GLU 11 HG2 GLU 11 8.268 -0.315 4.677 393 HG3 GLU 11 HG1 GLU 11 9.939 -0.482 5.212 394 H SER 12 HN SER 12 6.368 -1.184 8.504 395 HA SER 12 HA SER 12 6.936 -3.234 10.327 396 HB2 SER 12 HB2 SER 12 4.827 -1.066 10.430 397 HB3 SER 12 HB1 SER 12 5.260 -2.092 11.794 398 HG SER 12 HG SER 12 7.103 -0.510 10.325 399 H LEU 13 HN LEU 13 3.919 -2.472 8.594 400 HA LEU 13 HA LEU 13 2.318 -4.489 9.691 401 HB2 LEU 13 HB2 LEU 13 1.396 -2.677 8.328 402 HB3 LEU 13 HB1 LEU 13 2.240 -3.294 6.909 403 HG LEU 13 HG LEU 13 0.971 -5.414 7.085 404 HD11 LEU 13 HD11 LEU 13 -1.045 -5.354 8.650 405 HD12 LEU 13 HD12 LEU 13 -0.274 -3.980 9.442 406 HD13 LEU 13 HD13 LEU 13 0.522 -5.554 9.432 407 HD21 LEU 13 HD21 LEU 13 -1.314 -4.395 6.587 408 HD22 LEU 13 HD22 LEU 13 0.023 -3.761 5.628 409 HD23 LEU 13 HD23 LEU 13 -0.606 -2.830 6.987 410 H LYS 14 HN LYS 14 4.368 -4.532 6.782 411 HA LYS 14 HA LYS 14 3.783 -7.133 5.934 412 HB2 LYS 14 HB2 LYS 14 6.150 -5.324 5.573 413 HB3 LYS 14 HB1 LYS 14 6.216 -6.990 4.996 414 HG2 LYS 14 HG2 LYS 14 3.873 -5.219 4.317 415 HG3 LYS 14 HG1 LYS 14 5.354 -5.170 3.357 416 HD2 LYS 14 HD2 LYS 14 5.194 -7.598 2.967 417 HD3 LYS 14 HD1 LYS 14 3.721 -7.661 3.933 418 HE2 LYS 14 HE2 LYS 14 4.030 -5.953 1.452 419 HE3 LYS 14 HE1 LYS 14 3.313 -7.563 1.450 420 HZ1 LYS 14 HZ1 LYS 14 2.356 -5.277 3.086 421 HZ2 LYS 14 HZ2 LYS 14 1.647 -6.819 3.001 422 HZ3 LYS 14 HZ3 LYS 14 1.644 -5.803 1.640 423 H SER 15 HN SER 15 6.337 -5.969 8.118 424 HA SER 15 HA SER 15 7.589 -8.428 8.602 425 HB2 SER 15 HB2 SER 15 8.550 -6.287 9.324 426 HB3 SER 15 HB1 SER 15 7.237 -6.075 10.479 427 HG SER 15 HG SER 15 8.402 -7.224 11.784 428 H PHE 16 HN PHE 16 4.911 -6.830 10.318 429 HA PHE 16 HA PHE 16 4.519 -8.748 12.321 430 HB2 PHE 16 HB2 PHE 16 2.523 -6.938 10.940 431 HB3 PHE 16 HB1 PHE 16 2.163 -7.884 12.381 432 HD1 PHE 16 HD1 PHE 16 2.552 -4.701 11.634 433 HD2 PHE 16 HD2 PHE 16 4.657 -7.654 13.940 434 HE1 PHE 16 HE1 PHE 16 3.519 -2.909 13.050 435 HE2 PHE 16 HE2 PHE 16 5.622 -5.861 15.355 436 HZ PHE 16 HZ PHE 16 5.054 -3.489 14.911 437 H GLN 17 HN GLN 17 3.054 -8.490 9.088 438 HA GLN 17 HA GLN 17 1.358 -10.712 9.243 439 HB2 GLN 17 HB2 GLN 17 1.581 -8.890 7.402 440 HB3 GLN 17 HB1 GLN 17 2.782 -9.976 6.701 441 HG2 GLN 17 HG2 GLN 17 0.078 -11.014 7.523 442 HG3 GLN 17 HG1 GLN 17 0.300 -10.234 5.958 443 HE21 GLN 17 HE21 GLN 17 -0.276 -13.128 6.517 444 HE22 GLN 17 HE22 GLN 17 1.006 -13.987 5.809 445 H1 ALA 1 HT1 ALA 1 -8.417 -13.712 7.377 446 H2 ALA 1 HT2 ALA 1 -9.721 -14.069 6.348 447 H3 ALA 1 HT3 ALA 1 -9.256 -12.456 6.607 448 HA ALA 1 HA ALA 1 -7.555 -14.509 5.305 449 HB1 ALA 1 HB1 ALA 1 -9.266 -14.123 3.743 450 HB2 ALA 1 HB2 ALA 1 -8.051 -12.929 3.287 451 HB3 ALA 1 HB3 ALA 1 -9.459 -12.439 4.229 452 H THR 2 HN THR 2 -5.595 -13.653 4.495 453 HA THR 2 HA THR 2 -4.367 -11.690 6.127 454 HB THR 2 HB THR 2 -2.462 -11.902 4.568 455 HG1 THR 2 HG1 THR 2 -3.245 -12.163 2.600 456 HG21 THR 2 HG21 THR 2 -2.164 -14.372 4.814 457 HG22 THR 2 HG22 THR 2 -3.856 -14.492 5.296 458 HG23 THR 2 HG23 THR 2 -2.716 -13.594 6.297 459 H LEU 3 HN LEU 3 -5.710 -11.596 2.851 460 HA LEU 3 HA LEU 3 -4.849 -9.037 2.104 461 HB2 LEU 3 HB2 LEU 3 -7.429 -10.457 1.392 462 HB3 LEU 3 HB1 LEU 3 -6.762 -9.065 0.540 463 HG LEU 3 HG LEU 3 -5.348 -11.728 0.875 464 HD11 LEU 3 HD11 LEU 3 -7.199 -12.048 -0.620 465 HD12 LEU 3 HD12 LEU 3 -5.766 -11.851 -1.630 466 HD13 LEU 3 HD13 LEU 3 -6.893 -10.510 -1.427 467 HD21 LEU 3 HD21 LEU 3 -3.868 -10.726 -0.919 468 HD22 LEU 3 HD22 LEU 3 -3.748 -9.933 0.650 469 HD23 LEU 3 HD23 LEU 3 -4.686 -9.188 -0.645 470 H GLU 4 HN GLU 4 -7.824 -10.045 3.777 471 HA GLU 4 HA GLU 4 -9.024 -7.526 3.996 472 HB2 GLU 4 HB2 GLU 4 -9.162 -9.963 5.778 473 HB3 GLU 4 HB1 GLU 4 -10.166 -8.533 6.021 474 HG2 GLU 4 HG2 GLU 4 -11.153 -8.778 3.822 475 HG3 GLU 4 HG1 GLU 4 -10.044 -10.089 3.424 476 H LYS 5 HN LYS 5 -6.810 -9.196 6.225 477 HA LYS 5 HA LYS 5 -6.755 -7.261 8.247 478 HB2 LYS 5 HB2 LYS 5 -5.783 -9.505 8.505 479 HB3 LYS 5 HB1 LYS 5 -4.520 -9.094 7.343 480 HG2 LYS 5 HG2 LYS 5 -3.738 -7.283 8.811 481 HG3 LYS 5 HG1 LYS 5 -5.016 -7.657 9.968 482 HD2 LYS 5 HD2 LYS 5 -4.082 -9.929 10.258 483 HD3 LYS 5 HD1 LYS 5 -2.791 -9.537 9.121 484 HE2 LYS 5 HE2 LYS 5 -3.323 -8.055 11.713 485 HE3 LYS 5 HE1 LYS 5 -2.065 -9.269 11.485 486 HZ1 LYS 5 HZ1 LYS 5 -0.929 -7.340 11.069 487 HZ2 LYS 5 HZ2 LYS 5 -2.263 -6.562 10.360 488 HZ3 LYS 5 HZ3 LYS 5 -1.415 -7.756 9.499 489 H LEU 6 HN LEU 6 -4.675 -7.623 5.382 490 HA LEU 6 HA LEU 6 -2.961 -5.464 5.868 491 HB2 LEU 6 HB2 LEU 6 -2.515 -7.114 4.122 492 HB3 LEU 6 HB1 LEU 6 -3.932 -6.570 3.223 493 HG LEU 6 HG LEU 6 -2.047 -4.421 3.960 494 HD11 LEU 6 HD11 LEU 6 -0.480 -6.281 3.440 495 HD12 LEU 6 HD12 LEU 6 -0.416 -5.004 2.225 496 HD13 LEU 6 HD13 LEU 6 -1.286 -6.501 1.886 497 HD21 LEU 6 HD21 LEU 6 -3.891 -3.908 2.519 498 HD22 LEU 6 HD22 LEU 6 -3.563 -5.303 1.491 499 HD23 LEU 6 HD23 LEU 6 -2.462 -3.925 1.486 500 H MET 7 HN MET 7 -6.026 -5.581 4.066 501 HA MET 7 HA MET 7 -6.100 -2.909 3.237 502 HB2 MET 7 HB2 MET 7 -7.651 -4.641 2.413 503 HB3 MET 7 HB1 MET 7 -8.430 -4.689 3.995 504 HG2 MET 7 HG2 MET 7 -9.749 -3.246 2.576 505 HG3 MET 7 HG1 MET 7 -8.913 -2.225 3.743 506 HE1 MET 7 HE1 MET 7 -10.239 -1.115 1.406 507 HE2 MET 7 HE2 MET 7 -9.115 -0.141 0.462 508 HE3 MET 7 HE3 MET 7 -9.152 0.021 2.216 509 H LYS 8 HN LYS 8 -7.391 -4.414 6.192 510 HA LYS 8 HA LYS 8 -8.554 -2.132 7.320 511 HB2 LYS 8 HB2 LYS 8 -7.311 -4.571 8.603 512 HB3 LYS 8 HB1 LYS 8 -8.178 -3.333 9.514 513 HG2 LYS 8 HG2 LYS 8 -10.181 -3.707 8.120 514 HG3 LYS 8 HG1 LYS 8 -9.318 -4.952 7.216 515 HD2 LYS 8 HD2 LYS 8 -9.047 -6.285 9.255 516 HD3 LYS 8 HD1 LYS 8 -9.844 -5.027 10.202 517 HE2 LYS 8 HE2 LYS 8 -11.445 -6.805 9.663 518 HE3 LYS 8 HE1 LYS 8 -11.892 -5.318 8.827 519 HZ1 LYS 8 HZ1 LYS 8 -11.245 -6.142 6.812 520 HZ2 LYS 8 HZ2 LYS 8 -11.788 -7.571 7.554 521 HZ3 LYS 8 HZ3 LYS 8 -10.125 -7.230 7.474 522 H ALA 9 HN ALA 9 -5.264 -3.437 7.693 523 HA ALA 9 HA ALA 9 -4.297 -1.540 9.513 524 HB1 ALA 9 HB1 ALA 9 -2.907 -3.138 7.360 525 HB2 ALA 9 HB2 ALA 9 -2.980 -3.483 9.087 526 HB3 ALA 9 HB3 ALA 9 -2.040 -2.111 8.502 527 H PHE 10 HN PHE 10 -4.243 -1.524 5.954 528 HA PHE 10 HA PHE 10 -2.864 0.887 5.600 529 HB2 PHE 10 HB2 PHE 10 -3.361 -0.702 3.770 530 HB3 PHE 10 HB1 PHE 10 -5.062 -0.237 3.851 531 HD1 PHE 10 HD1 PHE 10 -1.628 1.048 3.229 532 HD2 PHE 10 HD2 PHE 10 -5.844 1.783 2.854 533 HE1 PHE 10 HE1 PHE 10 -1.157 3.019 1.804 534 HE2 PHE 10 HE2 PHE 10 -5.371 3.755 1.425 535 HZ PHE 10 HZ PHE 10 -3.026 4.372 0.902 536 H GLU 11 HN GLU 11 -6.360 0.281 5.872 537 HA GLU 11 HA GLU 11 -7.240 2.915 5.519 538 HB2 GLU 11 HB2 GLU 11 -8.393 0.628 7.125 539 HB3 GLU 11 HB1 GLU 11 -9.234 2.159 6.883 540 HG2 GLU 11 HG2 GLU 11 -8.268 0.315 4.677 541 HG3 GLU 11 HG1 GLU 11 -9.939 0.482 5.212 542 H SER 12 HN SER 12 -6.368 1.184 8.504 543 HA SER 12 HA SER 12 -6.937 3.242 10.317 544 HB2 SER 12 HB2 SER 12 -5.433 2.089 11.860 545 HB3 SER 12 HB1 SER 12 -6.427 0.919 10.999 546 HG SER 12 HG SER 12 -3.701 1.524 10.734 547 H LEU 13 HN LEU 13 -3.919 2.472 8.594 548 HA LEU 13 HA LEU 13 -2.318 4.489 9.691 549 HB2 LEU 13 HB2 LEU 13 -1.397 2.677 8.327 550 HB3 LEU 13 HB1 LEU 13 -2.241 3.295 6.908 551 HG LEU 13 HG LEU 13 -0.972 5.414 7.085 552 HD11 LEU 13 HD11 LEU 13 1.044 5.356 8.650 553 HD12 LEU 13 HD12 LEU 13 0.276 3.980 9.440 554 HD13 LEU 13 HD13 LEU 13 -0.524 5.551 9.433 555 HD21 LEU 13 HD21 LEU 13 1.314 4.394 6.589 556 HD22 LEU 13 HD22 LEU 13 -0.022 3.764 5.627 557 HD23 LEU 13 HD23 LEU 13 0.605 2.830 6.985 558 H LYS 14 HN LYS 14 -4.368 4.532 6.782 559 HA LYS 14 HA LYS 14 -3.783 7.133 5.934 560 HB2 LYS 14 HB2 LYS 14 -6.150 5.324 5.573 561 HB3 LYS 14 HB1 LYS 14 -6.216 6.990 4.996 562 HG2 LYS 14 HG2 LYS 14 -3.873 5.219 4.317 563 HG3 LYS 14 HG1 LYS 14 -5.354 5.170 3.357 564 HD2 LYS 14 HD2 LYS 14 -5.194 7.598 2.967 565 HD3 LYS 14 HD1 LYS 14 -3.721 7.661 3.933 566 HE2 LYS 14 HE2 LYS 14 -4.030 5.953 1.452 567 HE3 LYS 14 HE1 LYS 14 -3.313 7.563 1.450 568 HZ1 LYS 14 HZ1 LYS 14 -2.356 5.277 3.086 569 HZ2 LYS 14 HZ2 LYS 14 -1.647 6.819 3.001 570 HZ3 LYS 14 HZ3 LYS 14 -1.644 5.803 1.640 571 H SER 15 HN SER 15 -6.337 5.969 8.118 572 HA SER 15 HA SER 15 -7.589 8.428 8.602 573 HB2 SER 15 HB2 SER 15 -7.255 6.023 10.409 574 HB3 SER 15 HB1 SER 15 -8.329 7.377 10.750 575 HG SER 15 HG SER 15 -8.525 5.346 8.863 576 H PHE 16 HN PHE 16 -4.911 6.830 10.318 577 HA PHE 16 HA PHE 16 -4.523 8.749 12.319 578 HB2 PHE 16 HB2 PHE 16 -3.426 6.567 12.383 579 HB3 PHE 16 HB1 PHE 16 -2.478 6.982 10.954 580 HD1 PHE 16 HD1 PHE 16 -3.137 7.939 14.492 581 HD2 PHE 16 HD2 PHE 16 -0.503 8.300 11.119 582 HE1 PHE 16 HE1 PHE 16 -1.448 9.049 15.929 583 HE2 PHE 16 HE2 PHE 16 1.184 9.411 12.556 584 HZ PHE 16 HZ PHE 16 0.713 9.785 14.960 585 H GLN 17 HN GLN 17 -3.054 8.490 9.088 586 HA GLN 17 HA GLN 17 -1.358 10.712 9.243 587 HB2 GLN 17 HB2 GLN 17 -1.581 8.890 7.402 588 HB3 GLN 17 HB1 GLN 17 -2.782 9.976 6.701 589 HG2 GLN 17 HG2 GLN 17 -0.078 11.014 7.523 590 HG3 GLN 17 HG1 GLN 17 -0.300 10.234 5.958 591 HE21 GLN 17 HE21 GLN 17 0.276 13.128 6.517 592 HE22 GLN 17 HE22 GLN 17 -1.006 13.987 5.809 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 15.987 7.525 -2.571 2 H2 ALA 1 HT2 ALA 1 15.510 5.902 -2.726 3 H3 ALA 1 HT3 ALA 1 14.403 7.068 -2.176 4 HA ALA 1 HA ALA 1 14.351 8.141 -4.293 5 HB1 ALA 1 HB1 ALA 1 16.762 7.724 -4.800 6 HB2 ALA 1 HB2 ALA 1 15.703 7.322 -6.152 7 HB3 ALA 1 HB3 ALA 1 16.368 6.039 -5.140 8 H THR 2 HN THR 2 14.804 4.647 -3.806 9 HA THR 2 HA THR 2 12.842 3.822 -5.686 10 HB THR 2 HB THR 2 12.970 1.645 -4.524 11 HG1 THR 2 HG1 THR 2 14.086 1.468 -2.650 12 HG21 THR 2 HG21 THR 2 15.573 3.107 -5.016 13 HG22 THR 2 HG22 THR 2 14.688 2.081 -6.145 14 HG23 THR 2 HG23 THR 2 15.479 1.368 -4.739 15 H LEU 3 HN LEU 3 12.739 4.494 -2.209 16 HA LEU 3 HA LEU 3 10.144 3.590 -1.671 17 HB2 LEU 3 HB2 LEU 3 11.715 5.876 -0.457 18 HB3 LEU 3 HB1 LEU 3 10.219 5.233 0.217 19 HG LEU 3 HG LEU 3 12.699 3.570 -0.305 20 HD11 LEU 3 HD11 LEU 3 11.664 4.911 2.203 21 HD12 LEU 3 HD12 LEU 3 13.245 5.111 1.448 22 HD13 LEU 3 HD13 LEU 3 12.831 3.588 2.235 23 HD21 LEU 3 HD21 LEU 3 10.753 2.174 -0.309 24 HD22 LEU 3 HD22 LEU 3 10.045 3.043 1.051 25 HD23 LEU 3 HD23 LEU 3 11.454 2.016 1.301 26 H GLU 4 HN GLU 4 11.271 6.802 -2.709 27 HA GLU 4 HA GLU 4 8.793 8.104 -2.706 28 HB2 GLU 4 HB2 GLU 4 11.262 8.526 -4.396 29 HB3 GLU 4 HB1 GLU 4 9.860 9.593 -4.461 30 HG2 GLU 4 HG2 GLU 4 11.225 10.643 -2.869 31 HG3 GLU 4 HG1 GLU 4 10.118 9.704 -1.871 32 H LYS 5 HN LYS 5 10.429 6.326 -5.319 33 HA LYS 5 HA LYS 5 8.525 6.742 -7.327 34 HB2 LYS 5 HB2 LYS 5 10.424 4.448 -6.815 35 HB3 LYS 5 HB1 LYS 5 9.420 4.558 -8.261 36 HG2 LYS 5 HG2 LYS 5 10.440 6.669 -8.882 37 HG3 LYS 5 HG1 LYS 5 11.338 6.727 -7.365 38 HD2 LYS 5 HD2 LYS 5 12.842 5.937 -9.090 39 HD3 LYS 5 HD1 LYS 5 12.464 4.577 -8.032 40 HE2 LYS 5 HE2 LYS 5 10.783 3.770 -9.616 41 HE3 LYS 5 HE1 LYS 5 11.065 5.165 -10.657 42 HZ1 LYS 5 HZ1 LYS 5 12.427 3.648 -11.635 43 HZ2 LYS 5 HZ2 LYS 5 12.751 2.818 -10.188 44 HZ3 LYS 5 HZ3 LYS 5 13.519 4.299 -10.512 45 H LEU 6 HN LEU 6 8.775 4.120 -4.932 46 HA LEU 6 HA LEU 6 6.569 2.611 -5.769 47 HB2 LEU 6 HB2 LEU 6 7.899 2.981 -3.092 48 HB3 LEU 6 HB1 LEU 6 6.489 1.938 -3.279 49 HG LEU 6 HG LEU 6 8.925 1.668 -5.046 50 HD11 LEU 6 HD11 LEU 6 9.557 -0.233 -3.534 51 HD12 LEU 6 HD12 LEU 6 8.315 0.307 -2.404 52 HD13 LEU 6 HD13 LEU 6 9.696 1.345 -2.760 53 HD21 LEU 6 HD21 LEU 6 6.459 0.043 -4.423 54 HD22 LEU 6 HD22 LEU 6 7.904 -0.736 -5.063 55 HD23 LEU 6 HD23 LEU 6 7.095 0.522 -5.996 56 H MET 7 HN MET 7 6.757 5.253 -3.392 57 HA MET 7 HA MET 7 4.076 5.248 -2.593 58 HB2 MET 7 HB2 MET 7 5.867 6.537 -1.468 59 HB3 MET 7 HB1 MET 7 5.914 7.639 -2.844 60 HG2 MET 7 HG2 MET 7 4.506 8.604 -1.112 61 HG3 MET 7 HG1 MET 7 3.490 8.132 -2.472 62 HE1 MET 7 HE1 MET 7 0.948 7.350 0.087 63 HE2 MET 7 HE2 MET 7 1.631 8.479 -1.079 64 HE3 MET 7 HE3 MET 7 2.159 8.532 0.601 65 H LYS 8 HN LYS 8 5.668 7.053 -5.214 66 HA LYS 8 HA LYS 8 3.441 8.493 -6.107 67 HB2 LYS 8 HB2 LYS 8 6.060 7.710 -7.219 68 HB3 LYS 8 HB1 LYS 8 4.813 8.061 -8.416 69 HG2 LYS 8 HG2 LYS 8 5.963 10.131 -7.906 70 HG3 LYS 8 HG1 LYS 8 4.349 10.213 -7.200 71 HD2 LYS 8 HD2 LYS 8 5.256 9.552 -5.011 72 HD3 LYS 8 HD1 LYS 8 6.872 9.435 -5.709 73 HE2 LYS 8 HE2 LYS 8 6.795 11.831 -6.296 74 HE3 LYS 8 HE1 LYS 8 5.183 11.951 -5.591 75 HZ1 LYS 8 HZ1 LYS 8 6.444 12.583 -3.824 76 HZ2 LYS 8 HZ2 LYS 8 7.775 11.627 -4.270 77 HZ3 LYS 8 HZ3 LYS 8 6.417 10.910 -3.544 78 H ALA 9 HN ALA 9 4.647 5.302 -7.118 79 HA ALA 9 HA ALA 9 2.750 4.780 -9.111 80 HB1 ALA 9 HB1 ALA 9 4.689 3.365 -8.879 81 HB2 ALA 9 HB2 ALA 9 3.254 2.369 -8.638 82 HB3 ALA 9 HB3 ALA 9 4.207 2.893 -7.250 83 H PHE 10 HN PHE 10 2.675 4.021 -5.634 84 HA PHE 10 HA PHE 10 0.217 2.682 -5.583 85 HB2 PHE 10 HB2 PHE 10 1.829 2.783 -3.686 86 HB3 PHE 10 HB1 PHE 10 1.349 4.459 -3.412 87 HD1 PHE 10 HD1 PHE 10 0.117 0.956 -3.501 88 HD2 PHE 10 HD2 PHE 10 -0.703 5.001 -2.311 89 HE1 PHE 10 HE1 PHE 10 -1.848 0.176 -2.208 90 HE2 PHE 10 HE2 PHE 10 -2.668 4.220 -1.016 91 HZ PHE 10 HZ PHE 10 -3.240 1.807 -0.966 92 H GLU 11 HN GLU 11 0.937 6.139 -5.148 93 HA GLU 11 HA GLU 11 -1.673 7.023 -4.650 94 HB2 GLU 11 HB2 GLU 11 0.671 8.395 -5.981 95 HB3 GLU 11 HB1 GLU 11 -0.834 9.222 -5.581 96 HG2 GLU 11 HG2 GLU 11 0.957 7.773 -3.607 97 HG3 GLU 11 HG1 GLU 11 0.845 9.522 -3.795 98 H SER 12 HN SER 12 0.077 6.704 -7.734 99 HA SER 12 HA SER 12 -1.935 7.691 -9.414 100 HB2 SER 12 HB2 SER 12 -0.808 6.488 -11.217 101 HB3 SER 12 HB1 SER 12 0.380 7.253 -10.166 102 HG SER 12 HG SER 12 1.157 5.285 -10.140 103 H LEU 13 HN LEU 13 -1.286 4.367 -8.322 104 HA LEU 13 HA LEU 13 -3.336 3.084 -9.733 105 HB2 LEU 13 HB2 LEU 13 -1.581 1.845 -8.570 106 HB3 LEU 13 HB1 LEU 13 -2.175 2.425 -7.014 107 HG LEU 13 HG LEU 13 -4.343 1.298 -7.435 108 HD11 LEU 13 HD11 LEU 13 -2.932 0.461 -9.978 109 HD12 LEU 13 HD12 LEU 13 -4.470 1.311 -9.826 110 HD13 LEU 13 HD13 LEU 13 -4.348 -0.384 -9.352 111 HD21 LEU 13 HD21 LEU 13 -3.575 -0.908 -6.961 112 HD22 LEU 13 HD22 LEU 13 -2.319 0.160 -6.337 113 HD23 LEU 13 HD23 LEU 13 -2.087 -0.669 -7.877 114 H LYS 14 HN LYS 14 -3.359 4.517 -6.476 115 HA LYS 14 HA LYS 14 -5.991 3.865 -5.788 116 HB2 LYS 14 HB2 LYS 14 -4.138 6.083 -4.956 117 HB3 LYS 14 HB1 LYS 14 -5.794 6.016 -4.352 118 HG2 LYS 14 HG2 LYS 14 -3.912 3.653 -4.189 119 HG3 LYS 14 HG1 LYS 14 -4.039 4.855 -2.905 120 HD2 LYS 14 HD2 LYS 14 -6.476 4.406 -2.746 121 HD3 LYS 14 HD1 LYS 14 -6.313 3.162 -3.984 122 HE2 LYS 14 HE2 LYS 14 -4.758 1.915 -2.550 123 HE3 LYS 14 HE1 LYS 14 -4.885 3.164 -1.311 124 HZ1 LYS 14 HZ1 LYS 14 -7.351 1.944 -2.314 125 HZ2 LYS 14 HZ2 LYS 14 -6.991 2.546 -0.766 126 HZ3 LYS 14 HZ3 LYS 14 -6.388 1.035 -1.255 127 H SER 15 HN SER 15 -4.713 6.761 -7.406 128 HA SER 15 HA SER 15 -7.122 8.167 -7.653 129 HB2 SER 15 HB2 SER 15 -4.701 8.118 -9.468 130 HB3 SER 15 HB1 SER 15 -6.013 9.285 -9.600 131 HG SER 15 HG SER 15 -5.179 10.323 -7.982 132 H PHE 16 HN PHE 16 -5.584 5.831 -9.854 133 HA PHE 16 HA PHE 16 -7.480 5.914 -11.910 134 HB2 PHE 16 HB2 PHE 16 -5.359 4.784 -12.215 135 HB3 PHE 16 HB1 PHE 16 -5.751 3.625 -10.945 136 HD1 PHE 16 HD1 PHE 16 -6.859 4.870 -14.285 137 HD2 PHE 16 HD2 PHE 16 -7.001 1.674 -11.419 138 HE1 PHE 16 HE1 PHE 16 -8.001 3.429 -15.949 139 HE2 PHE 16 HE2 PHE 16 -8.145 0.233 -13.082 140 HZ PHE 16 HZ PHE 16 -8.645 1.111 -15.347 141 H GLN 17 HN GLN 17 -7.321 3.825 -9.034 142 HA GLN 17 HA GLN 17 -9.595 2.278 -9.553 143 HB2 GLN 17 HB2 GLN 17 -7.818 2.013 -7.691 144 HB3 GLN 17 HB1 GLN 17 -8.841 3.114 -6.765 145 HG2 GLN 17 HG2 GLN 17 -10.051 0.727 -8.138 146 HG3 GLN 17 HG1 GLN 17 -9.269 0.541 -6.572 147 HE21 GLN 17 HE21 GLN 17 -12.188 0.309 -7.203 148 HE22 GLN 17 HE22 GLN 17 -12.957 1.466 -6.227 149 H1 ALA 1 HT1 ALA 1 -15.987 -7.525 -2.571 150 H2 ALA 1 HT2 ALA 1 -15.510 -5.902 -2.726 151 H3 ALA 1 HT3 ALA 1 -14.403 -7.068 -2.176 152 HA ALA 1 HA ALA 1 -14.351 -8.141 -4.293 153 HB1 ALA 1 HB1 ALA 1 -16.762 -7.724 -4.800 154 HB2 ALA 1 HB2 ALA 1 -15.703 -7.322 -6.152 155 HB3 ALA 1 HB3 ALA 1 -16.368 -6.039 -5.140 156 H THR 2 HN THR 2 -14.804 -4.647 -3.806 157 HA THR 2 HA THR 2 -12.842 -3.822 -5.686 158 HB THR 2 HB THR 2 -12.970 -1.645 -4.524 159 HG1 THR 2 HG1 THR 2 -14.086 -1.468 -2.650 160 HG21 THR 2 HG21 THR 2 -15.573 -3.107 -5.016 161 HG22 THR 2 HG22 THR 2 -14.688 -2.081 -6.145 162 HG23 THR 2 HG23 THR 2 -15.479 -1.368 -4.739 163 H LEU 3 HN LEU 3 -12.739 -4.494 -2.209 164 HA LEU 3 HA LEU 3 -10.144 -3.590 -1.671 165 HB2 LEU 3 HB2 LEU 3 -11.715 -5.876 -0.457 166 HB3 LEU 3 HB1 LEU 3 -10.219 -5.233 0.217 167 HG LEU 3 HG LEU 3 -12.699 -3.570 -0.305 168 HD11 LEU 3 HD11 LEU 3 -11.664 -4.911 2.203 169 HD12 LEU 3 HD12 LEU 3 -13.245 -5.111 1.448 170 HD13 LEU 3 HD13 LEU 3 -12.831 -3.588 2.235 171 HD21 LEU 3 HD21 LEU 3 -10.753 -2.174 -0.309 172 HD22 LEU 3 HD22 LEU 3 -10.045 -3.043 1.051 173 HD23 LEU 3 HD23 LEU 3 -11.454 -2.016 1.301 174 H GLU 4 HN GLU 4 -11.271 -6.802 -2.709 175 HA GLU 4 HA GLU 4 -8.793 -8.104 -2.706 176 HB2 GLU 4 HB2 GLU 4 -11.262 -8.526 -4.396 177 HB3 GLU 4 HB1 GLU 4 -9.860 -9.593 -4.461 178 HG2 GLU 4 HG2 GLU 4 -11.225 -10.643 -2.869 179 HG3 GLU 4 HG1 GLU 4 -10.118 -9.704 -1.871 180 H LYS 5 HN LYS 5 -10.429 -6.326 -5.319 181 HA LYS 5 HA LYS 5 -8.525 -6.742 -7.327 182 HB2 LYS 5 HB2 LYS 5 -10.424 -4.448 -6.815 183 HB3 LYS 5 HB1 LYS 5 -9.420 -4.558 -8.261 184 HG2 LYS 5 HG2 LYS 5 -10.440 -6.669 -8.882 185 HG3 LYS 5 HG1 LYS 5 -11.338 -6.727 -7.365 186 HD2 LYS 5 HD2 LYS 5 -12.842 -5.937 -9.090 187 HD3 LYS 5 HD1 LYS 5 -12.464 -4.577 -8.032 188 HE2 LYS 5 HE2 LYS 5 -10.783 -3.770 -9.616 189 HE3 LYS 5 HE1 LYS 5 -11.065 -5.165 -10.657 190 HZ1 LYS 5 HZ1 LYS 5 -12.427 -3.648 -11.635 191 HZ2 LYS 5 HZ2 LYS 5 -12.751 -2.818 -10.188 192 HZ3 LYS 5 HZ3 LYS 5 -13.519 -4.299 -10.512 193 H LEU 6 HN LEU 6 -8.775 -4.120 -4.932 194 HA LEU 6 HA LEU 6 -6.569 -2.611 -5.769 195 HB2 LEU 6 HB2 LEU 6 -7.899 -2.981 -3.092 196 HB3 LEU 6 HB1 LEU 6 -6.489 -1.938 -3.279 197 HG LEU 6 HG LEU 6 -8.925 -1.668 -5.046 198 HD11 LEU 6 HD11 LEU 6 -9.557 0.233 -3.535 199 HD12 LEU 6 HD12 LEU 6 -8.315 -0.307 -2.404 200 HD13 LEU 6 HD13 LEU 6 -9.696 -1.345 -2.760 201 HD21 LEU 6 HD21 LEU 6 -6.459 -0.043 -4.423 202 HD22 LEU 6 HD22 LEU 6 -7.905 0.736 -5.063 203 HD23 LEU 6 HD23 LEU 6 -7.095 -0.522 -5.996 204 H MET 7 HN MET 7 -6.757 -5.253 -3.392 205 HA MET 7 HA MET 7 -4.076 -5.248 -2.593 206 HB2 MET 7 HB2 MET 7 -5.867 -6.537 -1.468 207 HB3 MET 7 HB1 MET 7 -5.914 -7.639 -2.844 208 HG2 MET 7 HG2 MET 7 -4.506 -8.604 -1.112 209 HG3 MET 7 HG1 MET 7 -3.490 -8.132 -2.472 210 HE1 MET 7 HE1 MET 7 -0.948 -7.350 0.087 211 HE2 MET 7 HE2 MET 7 -1.631 -8.479 -1.079 212 HE3 MET 7 HE3 MET 7 -2.159 -8.532 0.601 213 H LYS 8 HN LYS 8 -5.668 -7.053 -5.214 214 HA LYS 8 HA LYS 8 -3.441 -8.493 -6.107 215 HB2 LYS 8 HB2 LYS 8 -6.060 -7.710 -7.219 216 HB3 LYS 8 HB1 LYS 8 -4.813 -8.061 -8.416 217 HG2 LYS 8 HG2 LYS 8 -5.963 -10.131 -7.906 218 HG3 LYS 8 HG1 LYS 8 -4.349 -10.213 -7.200 219 HD2 LYS 8 HD2 LYS 8 -5.256 -9.552 -5.011 220 HD3 LYS 8 HD1 LYS 8 -6.872 -9.435 -5.709 221 HE2 LYS 8 HE2 LYS 8 -6.795 -11.831 -6.296 222 HE3 LYS 8 HE1 LYS 8 -5.183 -11.951 -5.591 223 HZ1 LYS 8 HZ1 LYS 8 -6.444 -12.583 -3.824 224 HZ2 LYS 8 HZ2 LYS 8 -7.775 -11.627 -4.270 225 HZ3 LYS 8 HZ3 LYS 8 -6.417 -10.910 -3.544 226 H ALA 9 HN ALA 9 -4.647 -5.302 -7.118 227 HA ALA 9 HA ALA 9 -2.750 -4.780 -9.111 228 HB1 ALA 9 HB1 ALA 9 -4.688 -3.365 -8.879 229 HB2 ALA 9 HB2 ALA 9 -3.253 -2.369 -8.637 230 HB3 ALA 9 HB3 ALA 9 -4.207 -2.894 -7.249 231 H PHE 10 HN PHE 10 -2.675 -4.021 -5.634 232 HA PHE 10 HA PHE 10 -0.217 -2.682 -5.583 233 HB2 PHE 10 HB2 PHE 10 -1.829 -2.783 -3.686 234 HB3 PHE 10 HB1 PHE 10 -1.349 -4.459 -3.412 235 HD1 PHE 10 HD1 PHE 10 -0.117 -0.956 -3.501 236 HD2 PHE 10 HD2 PHE 10 0.703 -5.001 -2.311 237 HE1 PHE 10 HE1 PHE 10 1.848 -0.176 -2.208 238 HE2 PHE 10 HE2 PHE 10 2.668 -4.220 -1.016 239 HZ PHE 10 HZ PHE 10 3.240 -1.807 -0.966 240 H GLU 11 HN GLU 11 -0.937 -6.139 -5.148 241 HA GLU 11 HA GLU 11 1.673 -7.023 -4.650 242 HB2 GLU 11 HB2 GLU 11 -0.671 -8.395 -5.981 243 HB3 GLU 11 HB1 GLU 11 0.834 -9.222 -5.581 244 HG2 GLU 11 HG2 GLU 11 -0.957 -7.773 -3.607 245 HG3 GLU 11 HG1 GLU 11 -0.845 -9.522 -3.795 246 H SER 12 HN SER 12 -0.077 -6.704 -7.734 247 HA SER 12 HA SER 12 1.927 -7.692 -9.424 248 HB2 SER 12 HB2 SER 12 -0.177 -5.576 -9.928 249 HB3 SER 12 HB1 SER 12 0.816 -6.304 -11.187 250 HG SER 12 HG SER 12 -0.195 -8.187 -10.916 251 H LEU 13 HN LEU 13 1.286 -4.367 -8.322 252 HA LEU 13 HA LEU 13 3.336 -3.085 -9.733 253 HB2 LEU 13 HB2 LEU 13 1.581 -1.846 -8.571 254 HB3 LEU 13 HB1 LEU 13 2.175 -2.425 -7.015 255 HG LEU 13 HG LEU 13 4.343 -1.298 -7.436 256 HD11 LEU 13 HD11 LEU 13 2.932 -0.456 -9.978 257 HD12 LEU 13 HD12 LEU 13 4.466 -1.312 -9.829 258 HD13 LEU 13 HD13 LEU 13 4.352 0.382 -9.353 259 HD21 LEU 13 HD21 LEU 13 3.575 0.909 -6.962 260 HD22 LEU 13 HD22 LEU 13 2.318 -0.159 -6.339 261 HD23 LEU 13 HD23 LEU 13 2.088 0.670 -7.878 262 H LYS 14 HN LYS 14 3.359 -4.517 -6.476 263 HA LYS 14 HA LYS 14 5.991 -3.865 -5.788 264 HB2 LYS 14 HB2 LYS 14 4.138 -6.083 -4.956 265 HB3 LYS 14 HB1 LYS 14 5.794 -6.016 -4.352 266 HG2 LYS 14 HG2 LYS 14 3.912 -3.653 -4.189 267 HG3 LYS 14 HG1 LYS 14 4.039 -4.855 -2.905 268 HD2 LYS 14 HD2 LYS 14 6.476 -4.406 -2.746 269 HD3 LYS 14 HD1 LYS 14 6.313 -3.162 -3.984 270 HE2 LYS 14 HE2 LYS 14 4.758 -1.915 -2.550 271 HE3 LYS 14 HE1 LYS 14 4.885 -3.164 -1.311 272 HZ1 LYS 14 HZ1 LYS 14 7.351 -1.944 -2.314 273 HZ2 LYS 14 HZ2 LYS 14 6.991 -2.546 -0.766 274 HZ3 LYS 14 HZ3 LYS 14 6.388 -1.035 -1.255 275 H SER 15 HN SER 15 4.713 -6.761 -7.406 276 HA SER 15 HA SER 15 7.122 -8.167 -7.653 277 HB2 SER 15 HB2 SER 15 4.700 -8.118 -9.468 278 HB3 SER 15 HB1 SER 15 6.014 -9.285 -9.600 279 HG SER 15 HG SER 15 4.531 -8.822 -7.224 280 H PHE 16 HN PHE 16 5.584 -5.831 -9.854 281 HA PHE 16 HA PHE 16 7.483 -5.914 -11.908 282 HB2 PHE 16 HB2 PHE 16 5.756 -3.619 -10.948 283 HB3 PHE 16 HB1 PHE 16 6.682 -3.602 -12.447 284 HD1 PHE 16 HD1 PHE 16 3.506 -3.702 -11.622 285 HD2 PHE 16 HD2 PHE 16 6.348 -6.386 -13.405 286 HE1 PHE 16 HE1 PHE 16 1.660 -4.895 -12.770 287 HE2 PHE 16 HE2 PHE 16 4.501 -7.578 -14.551 288 HZ PHE 16 HZ PHE 16 2.157 -6.833 -14.235 289 H GLN 17 HN GLN 17 7.321 -3.825 -9.034 290 HA GLN 17 HA GLN 17 9.595 -2.278 -9.553 291 HB2 GLN 17 HB2 GLN 17 7.818 -2.013 -7.691 292 HB3 GLN 17 HB1 GLN 17 8.841 -3.114 -6.765 293 HG2 GLN 17 HG2 GLN 17 10.051 -0.728 -8.139 294 HG3 GLN 17 HG1 GLN 17 9.268 -0.540 -6.573 295 HE21 GLN 17 HE21 GLN 17 12.188 -0.309 -7.202 296 HE22 GLN 17 HE22 GLN 17 12.956 -1.465 -6.225 297 H1 ALA 1 HT1 ALA 1 7.525 15.987 2.571 298 H2 ALA 1 HT2 ALA 1 5.902 15.510 2.726 299 H3 ALA 1 HT3 ALA 1 7.068 14.403 2.176 300 HA ALA 1 HA ALA 1 8.141 14.351 4.293 301 HB1 ALA 1 HB1 ALA 1 7.724 16.762 4.800 302 HB2 ALA 1 HB2 ALA 1 7.322 15.703 6.152 303 HB3 ALA 1 HB3 ALA 1 6.039 16.368 5.140 304 H THR 2 HN THR 2 4.647 14.804 3.806 305 HA THR 2 HA THR 2 3.822 12.842 5.686 306 HB THR 2 HB THR 2 1.645 12.970 4.524 307 HG1 THR 2 HG1 THR 2 1.468 14.086 2.650 308 HG21 THR 2 HG21 THR 2 3.107 15.573 5.016 309 HG22 THR 2 HG22 THR 2 2.081 14.688 6.145 310 HG23 THR 2 HG23 THR 2 1.368 15.479 4.739 311 H LEU 3 HN LEU 3 4.494 12.739 2.209 312 HA LEU 3 HA LEU 3 3.590 10.144 1.671 313 HB2 LEU 3 HB2 LEU 3 5.876 11.715 0.457 314 HB3 LEU 3 HB1 LEU 3 5.233 10.219 -0.217 315 HG LEU 3 HG LEU 3 3.570 12.699 0.305 316 HD11 LEU 3 HD11 LEU 3 4.911 11.664 -2.203 317 HD12 LEU 3 HD12 LEU 3 5.111 13.245 -1.448 318 HD13 LEU 3 HD13 LEU 3 3.588 12.831 -2.235 319 HD21 LEU 3 HD21 LEU 3 2.174 10.753 0.309 320 HD22 LEU 3 HD22 LEU 3 3.043 10.045 -1.051 321 HD23 LEU 3 HD23 LEU 3 2.016 11.454 -1.301 322 H GLU 4 HN GLU 4 6.802 11.271 2.709 323 HA GLU 4 HA GLU 4 8.104 8.793 2.706 324 HB2 GLU 4 HB2 GLU 4 8.526 11.262 4.396 325 HB3 GLU 4 HB1 GLU 4 9.593 9.860 4.461 326 HG2 GLU 4 HG2 GLU 4 10.643 11.225 2.869 327 HG3 GLU 4 HG1 GLU 4 9.704 10.118 1.871 328 H LYS 5 HN LYS 5 6.326 10.429 5.319 329 HA LYS 5 HA LYS 5 6.742 8.525 7.327 330 HB2 LYS 5 HB2 LYS 5 4.448 10.424 6.815 331 HB3 LYS 5 HB1 LYS 5 4.558 9.420 8.261 332 HG2 LYS 5 HG2 LYS 5 6.669 10.440 8.882 333 HG3 LYS 5 HG1 LYS 5 6.727 11.338 7.365 334 HD2 LYS 5 HD2 LYS 5 5.937 12.842 9.090 335 HD3 LYS 5 HD1 LYS 5 4.577 12.464 8.032 336 HE2 LYS 5 HE2 LYS 5 3.770 10.783 9.616 337 HE3 LYS 5 HE1 LYS 5 5.165 11.065 10.657 338 HZ1 LYS 5 HZ1 LYS 5 3.648 12.427 11.635 339 HZ2 LYS 5 HZ2 LYS 5 2.818 12.751 10.188 340 HZ3 LYS 5 HZ3 LYS 5 4.299 13.519 10.512 341 H LEU 6 HN LEU 6 4.120 8.775 4.932 342 HA LEU 6 HA LEU 6 2.611 6.569 5.769 343 HB2 LEU 6 HB2 LEU 6 2.981 7.899 3.092 344 HB3 LEU 6 HB1 LEU 6 1.938 6.489 3.279 345 HG LEU 6 HG LEU 6 1.668 8.925 5.046 346 HD11 LEU 6 HD11 LEU 6 -0.233 9.557 3.534 347 HD12 LEU 6 HD12 LEU 6 0.307 8.315 2.404 348 HD13 LEU 6 HD13 LEU 6 1.345 9.696 2.760 349 HD21 LEU 6 HD21 LEU 6 0.043 6.459 4.423 350 HD22 LEU 6 HD22 LEU 6 -0.736 7.904 5.063 351 HD23 LEU 6 HD23 LEU 6 0.522 7.095 5.996 352 H MET 7 HN MET 7 5.253 6.757 3.392 353 HA MET 7 HA MET 7 5.248 4.076 2.593 354 HB2 MET 7 HB2 MET 7 6.537 5.867 1.468 355 HB3 MET 7 HB1 MET 7 7.639 5.914 2.844 356 HG2 MET 7 HG2 MET 7 8.604 4.506 1.112 357 HG3 MET 7 HG1 MET 7 8.132 3.490 2.472 358 HE1 MET 7 HE1 MET 7 7.350 0.948 -0.087 359 HE2 MET 7 HE2 MET 7 8.479 1.631 1.079 360 HE3 MET 7 HE3 MET 7 8.532 2.159 -0.601 361 H LYS 8 HN LYS 8 7.053 5.668 5.214 362 HA LYS 8 HA LYS 8 8.493 3.441 6.107 363 HB2 LYS 8 HB2 LYS 8 7.710 6.060 7.219 364 HB3 LYS 8 HB1 LYS 8 8.061 4.813 8.416 365 HG2 LYS 8 HG2 LYS 8 10.131 5.963 7.906 366 HG3 LYS 8 HG1 LYS 8 10.213 4.349 7.200 367 HD2 LYS 8 HD2 LYS 8 9.552 5.256 5.011 368 HD3 LYS 8 HD1 LYS 8 9.435 6.872 5.709 369 HE2 LYS 8 HE2 LYS 8 11.831 6.795 6.296 370 HE3 LYS 8 HE1 LYS 8 11.951 5.183 5.591 371 HZ1 LYS 8 HZ1 LYS 8 12.583 6.444 3.824 372 HZ2 LYS 8 HZ2 LYS 8 11.627 7.775 4.270 373 HZ3 LYS 8 HZ3 LYS 8 10.910 6.417 3.544 374 H ALA 9 HN ALA 9 5.302 4.647 7.118 375 HA ALA 9 HA ALA 9 4.780 2.750 9.111 376 HB1 ALA 9 HB1 ALA 9 3.365 4.688 8.879 377 HB2 ALA 9 HB2 ALA 9 2.369 3.253 8.637 378 HB3 ALA 9 HB3 ALA 9 2.894 4.207 7.249 379 H PHE 10 HN PHE 10 4.021 2.675 5.634 380 HA PHE 10 HA PHE 10 2.682 0.217 5.583 381 HB2 PHE 10 HB2 PHE 10 2.783 1.829 3.686 382 HB3 PHE 10 HB1 PHE 10 4.459 1.349 3.412 383 HD1 PHE 10 HD1 PHE 10 0.956 0.117 3.501 384 HD2 PHE 10 HD2 PHE 10 5.001 -0.703 2.311 385 HE1 PHE 10 HE1 PHE 10 0.176 -1.848 2.208 386 HE2 PHE 10 HE2 PHE 10 4.220 -2.668 1.016 387 HZ PHE 10 HZ PHE 10 1.807 -3.240 0.966 388 H GLU 11 HN GLU 11 6.139 0.937 5.148 389 HA GLU 11 HA GLU 11 7.023 -1.673 4.650 390 HB2 GLU 11 HB2 GLU 11 8.395 0.671 5.981 391 HB3 GLU 11 HB1 GLU 11 9.222 -0.834 5.581 392 HG2 GLU 11 HG2 GLU 11 7.773 0.957 3.607 393 HG3 GLU 11 HG1 GLU 11 9.522 0.845 3.795 394 H SER 12 HN SER 12 6.704 0.077 7.734 395 HA SER 12 HA SER 12 7.692 -1.928 9.422 396 HB2 SER 12 HB2 SER 12 5.582 0.181 9.930 397 HB3 SER 12 HB1 SER 12 6.308 -0.815 11.188 398 HG SER 12 HG SER 12 7.573 0.950 11.125 399 H LEU 13 HN LEU 13 4.367 -1.286 8.322 400 HA LEU 13 HA LEU 13 3.085 -3.336 9.733 401 HB2 LEU 13 HB2 LEU 13 1.846 -1.581 8.571 402 HB3 LEU 13 HB1 LEU 13 2.425 -2.175 7.015 403 HG LEU 13 HG LEU 13 1.298 -4.343 7.436 404 HD11 LEU 13 HD11 LEU 13 0.456 -2.932 9.978 405 HD12 LEU 13 HD12 LEU 13 1.312 -4.467 9.829 406 HD13 LEU 13 HD13 LEU 13 -0.382 -4.351 9.353 407 HD21 LEU 13 HD21 LEU 13 -0.909 -3.575 6.962 408 HD22 LEU 13 HD22 LEU 13 0.159 -2.318 6.338 409 HD23 LEU 13 HD23 LEU 13 -0.670 -2.088 7.878 410 H LYS 14 HN LYS 14 4.517 -3.359 6.476 411 HA LYS 14 HA LYS 14 3.865 -5.991 5.788 412 HB2 LYS 14 HB2 LYS 14 6.083 -4.138 4.956 413 HB3 LYS 14 HB1 LYS 14 6.016 -5.794 4.352 414 HG2 LYS 14 HG2 LYS 14 3.653 -3.912 4.189 415 HG3 LYS 14 HG1 LYS 14 4.855 -4.039 2.905 416 HD2 LYS 14 HD2 LYS 14 4.406 -6.476 2.746 417 HD3 LYS 14 HD1 LYS 14 3.162 -6.313 3.984 418 HE2 LYS 14 HE2 LYS 14 1.915 -4.758 2.550 419 HE3 LYS 14 HE1 LYS 14 3.164 -4.885 1.311 420 HZ1 LYS 14 HZ1 LYS 14 1.944 -7.351 2.314 421 HZ2 LYS 14 HZ2 LYS 14 2.546 -6.991 0.766 422 HZ3 LYS 14 HZ3 LYS 14 1.035 -6.388 1.255 423 H SER 15 HN SER 15 6.761 -4.713 7.406 424 HA SER 15 HA SER 15 8.156 -7.129 7.649 425 HB2 SER 15 HB2 SER 15 9.399 -6.052 9.454 426 HB3 SER 15 HB1 SER 15 9.155 -4.917 8.132 427 HG SER 15 HG SER 15 8.630 -4.366 10.506 428 H PHE 16 HN PHE 16 5.831 -5.584 9.854 429 HA PHE 16 HA PHE 16 5.914 -7.482 11.908 430 HB2 PHE 16 HB2 PHE 16 3.623 -5.752 10.946 431 HB3 PHE 16 HB1 PHE 16 3.603 -6.676 12.446 432 HD1 PHE 16 HD1 PHE 16 3.737 -3.496 11.597 433 HD2 PHE 16 HD2 PHE 16 6.369 -6.360 13.420 434 HE1 PHE 16 HE1 PHE 16 4.944 -1.658 12.743 435 HE2 PHE 16 HE2 PHE 16 7.575 -4.522 14.567 436 HZ PHE 16 HZ PHE 16 6.863 -2.171 14.228 437 H GLN 17 HN GLN 17 3.825 -7.321 9.034 438 HA GLN 17 HA GLN 17 2.278 -9.595 9.553 439 HB2 GLN 17 HB2 GLN 17 2.013 -7.818 7.691 440 HB3 GLN 17 HB1 GLN 17 3.114 -8.841 6.765 441 HG2 GLN 17 HG2 GLN 17 0.728 -10.051 8.139 442 HG3 GLN 17 HG1 GLN 17 0.540 -9.268 6.573 443 HE21 GLN 17 HE21 GLN 17 0.309 -12.188 7.202 444 HE22 GLN 17 HE22 GLN 17 1.465 -12.956 6.225 445 H1 ALA 1 HT1 ALA 1 -7.525 -15.987 2.571 446 H2 ALA 1 HT2 ALA 1 -5.902 -15.510 2.726 447 H3 ALA 1 HT3 ALA 1 -7.068 -14.403 2.176 448 HA ALA 1 HA ALA 1 -8.141 -14.351 4.293 449 HB1 ALA 1 HB1 ALA 1 -7.724 -16.762 4.800 450 HB2 ALA 1 HB2 ALA 1 -7.322 -15.703 6.152 451 HB3 ALA 1 HB3 ALA 1 -6.039 -16.368 5.140 452 H THR 2 HN THR 2 -4.647 -14.804 3.806 453 HA THR 2 HA THR 2 -3.822 -12.842 5.686 454 HB THR 2 HB THR 2 -1.645 -12.970 4.524 455 HG1 THR 2 HG1 THR 2 -1.468 -14.086 2.650 456 HG21 THR 2 HG21 THR 2 -3.107 -15.573 5.016 457 HG22 THR 2 HG22 THR 2 -2.081 -14.688 6.145 458 HG23 THR 2 HG23 THR 2 -1.368 -15.479 4.739 459 H LEU 3 HN LEU 3 -4.494 -12.739 2.209 460 HA LEU 3 HA LEU 3 -3.590 -10.144 1.671 461 HB2 LEU 3 HB2 LEU 3 -5.876 -11.715 0.457 462 HB3 LEU 3 HB1 LEU 3 -5.233 -10.219 -0.217 463 HG LEU 3 HG LEU 3 -3.570 -12.699 0.305 464 HD11 LEU 3 HD11 LEU 3 -4.911 -11.664 -2.203 465 HD12 LEU 3 HD12 LEU 3 -5.111 -13.245 -1.448 466 HD13 LEU 3 HD13 LEU 3 -3.588 -12.831 -2.235 467 HD21 LEU 3 HD21 LEU 3 -2.174 -10.753 0.309 468 HD22 LEU 3 HD22 LEU 3 -3.043 -10.045 -1.051 469 HD23 LEU 3 HD23 LEU 3 -2.016 -11.454 -1.301 470 H GLU 4 HN GLU 4 -6.802 -11.271 2.709 471 HA GLU 4 HA GLU 4 -8.104 -8.793 2.706 472 HB2 GLU 4 HB2 GLU 4 -8.526 -11.262 4.396 473 HB3 GLU 4 HB1 GLU 4 -9.593 -9.860 4.461 474 HG2 GLU 4 HG2 GLU 4 -10.643 -11.225 2.869 475 HG3 GLU 4 HG1 GLU 4 -9.704 -10.118 1.871 476 H LYS 5 HN LYS 5 -6.326 -10.429 5.319 477 HA LYS 5 HA LYS 5 -6.742 -8.525 7.327 478 HB2 LYS 5 HB2 LYS 5 -4.448 -10.424 6.815 479 HB3 LYS 5 HB1 LYS 5 -4.558 -9.420 8.261 480 HG2 LYS 5 HG2 LYS 5 -6.669 -10.440 8.882 481 HG3 LYS 5 HG1 LYS 5 -6.727 -11.338 7.365 482 HD2 LYS 5 HD2 LYS 5 -5.937 -12.842 9.090 483 HD3 LYS 5 HD1 LYS 5 -4.577 -12.464 8.032 484 HE2 LYS 5 HE2 LYS 5 -3.770 -10.783 9.616 485 HE3 LYS 5 HE1 LYS 5 -5.165 -11.065 10.657 486 HZ1 LYS 5 HZ1 LYS 5 -3.648 -12.427 11.635 487 HZ2 LYS 5 HZ2 LYS 5 -2.818 -12.751 10.188 488 HZ3 LYS 5 HZ3 LYS 5 -4.299 -13.519 10.512 489 H LEU 6 HN LEU 6 -4.120 -8.775 4.932 490 HA LEU 6 HA LEU 6 -2.611 -6.569 5.769 491 HB2 LEU 6 HB2 LEU 6 -2.981 -7.899 3.092 492 HB3 LEU 6 HB1 LEU 6 -1.938 -6.489 3.278 493 HG LEU 6 HG LEU 6 -1.668 -8.925 5.046 494 HD11 LEU 6 HD11 LEU 6 0.233 -9.557 3.534 495 HD12 LEU 6 HD12 LEU 6 -0.307 -8.315 2.404 496 HD13 LEU 6 HD13 LEU 6 -1.345 -9.696 2.760 497 HD21 LEU 6 HD21 LEU 6 -0.043 -6.459 4.423 498 HD22 LEU 6 HD22 LEU 6 0.736 -7.904 5.063 499 HD23 LEU 6 HD23 LEU 6 -0.522 -7.095 5.996 500 H MET 7 HN MET 7 -5.253 -6.757 3.392 501 HA MET 7 HA MET 7 -5.248 -4.076 2.593 502 HB2 MET 7 HB2 MET 7 -6.537 -5.867 1.468 503 HB3 MET 7 HB1 MET 7 -7.639 -5.914 2.844 504 HG2 MET 7 HG2 MET 7 -8.604 -4.506 1.112 505 HG3 MET 7 HG1 MET 7 -8.132 -3.490 2.472 506 HE1 MET 7 HE1 MET 7 -7.350 -0.948 -0.087 507 HE2 MET 7 HE2 MET 7 -8.479 -1.631 1.079 508 HE3 MET 7 HE3 MET 7 -8.532 -2.159 -0.601 509 H LYS 8 HN LYS 8 -7.053 -5.668 5.214 510 HA LYS 8 HA LYS 8 -8.493 -3.441 6.107 511 HB2 LYS 8 HB2 LYS 8 -7.710 -6.060 7.219 512 HB3 LYS 8 HB1 LYS 8 -8.061 -4.813 8.416 513 HG2 LYS 8 HG2 LYS 8 -10.131 -5.963 7.906 514 HG3 LYS 8 HG1 LYS 8 -10.213 -4.349 7.200 515 HD2 LYS 8 HD2 LYS 8 -9.552 -5.256 5.011 516 HD3 LYS 8 HD1 LYS 8 -9.435 -6.872 5.709 517 HE2 LYS 8 HE2 LYS 8 -11.831 -6.795 6.296 518 HE3 LYS 8 HE1 LYS 8 -11.951 -5.183 5.591 519 HZ1 LYS 8 HZ1 LYS 8 -12.583 -6.444 3.824 520 HZ2 LYS 8 HZ2 LYS 8 -11.627 -7.775 4.270 521 HZ3 LYS 8 HZ3 LYS 8 -10.910 -6.417 3.544 522 H ALA 9 HN ALA 9 -5.302 -4.647 7.118 523 HA ALA 9 HA ALA 9 -4.780 -2.750 9.111 524 HB1 ALA 9 HB1 ALA 9 -3.365 -4.689 8.879 525 HB2 ALA 9 HB2 ALA 9 -2.369 -3.254 8.638 526 HB3 ALA 9 HB3 ALA 9 -2.893 -4.207 7.250 527 H PHE 10 HN PHE 10 -4.021 -2.675 5.634 528 HA PHE 10 HA PHE 10 -2.682 -0.217 5.583 529 HB2 PHE 10 HB2 PHE 10 -2.783 -1.829 3.686 530 HB3 PHE 10 HB1 PHE 10 -4.459 -1.349 3.412 531 HD1 PHE 10 HD1 PHE 10 -0.956 -0.117 3.501 532 HD2 PHE 10 HD2 PHE 10 -5.001 0.703 2.311 533 HE1 PHE 10 HE1 PHE 10 -0.176 1.848 2.208 534 HE2 PHE 10 HE2 PHE 10 -4.220 2.668 1.016 535 HZ PHE 10 HZ PHE 10 -1.807 3.240 0.966 536 H GLU 11 HN GLU 11 -6.139 -0.937 5.148 537 HA GLU 11 HA GLU 11 -7.023 1.673 4.650 538 HB2 GLU 11 HB2 GLU 11 -8.395 -0.671 5.981 539 HB3 GLU 11 HB1 GLU 11 -9.222 0.834 5.581 540 HG2 GLU 11 HG2 GLU 11 -7.773 -0.957 3.607 541 HG3 GLU 11 HG1 GLU 11 -9.522 -0.845 3.795 542 H SER 12 HN SER 12 -6.704 -0.077 7.734 543 HA SER 12 HA SER 12 -7.691 1.934 9.414 544 HB2 SER 12 HB2 SER 12 -6.488 0.807 11.215 545 HB3 SER 12 HB1 SER 12 -7.250 -0.381 10.163 546 HG SER 12 HG SER 12 -4.561 0.260 10.522 547 H LEU 13 HN LEU 13 -4.367 1.286 8.322 548 HA LEU 13 HA LEU 13 -3.084 3.336 9.733 549 HB2 LEU 13 HB2 LEU 13 -1.845 1.581 8.570 550 HB3 LEU 13 HB1 LEU 13 -2.425 2.175 7.014 551 HG LEU 13 HG LEU 13 -1.298 4.343 7.435 552 HD11 LEU 13 HD11 LEU 13 -0.460 2.932 9.978 553 HD12 LEU 13 HD12 LEU 13 -1.311 4.469 9.827 554 HD13 LEU 13 HD13 LEU 13 0.383 4.349 9.352 555 HD21 LEU 13 HD21 LEU 13 0.908 3.575 6.961 556 HD22 LEU 13 HD22 LEU 13 -0.159 2.318 6.338 557 HD23 LEU 13 HD23 LEU 13 0.669 2.088 7.877 558 H LYS 14 HN LYS 14 -4.517 3.359 6.476 559 HA LYS 14 HA LYS 14 -3.865 5.991 5.788 560 HB2 LYS 14 HB2 LYS 14 -6.083 4.138 4.956 561 HB3 LYS 14 HB1 LYS 14 -6.016 5.794 4.352 562 HG2 LYS 14 HG2 LYS 14 -3.653 3.912 4.189 563 HG3 LYS 14 HG1 LYS 14 -4.855 4.039 2.905 564 HD2 LYS 14 HD2 LYS 14 -4.406 6.476 2.746 565 HD3 LYS 14 HD1 LYS 14 -3.162 6.313 3.984 566 HE2 LYS 14 HE2 LYS 14 -1.915 4.758 2.550 567 HE3 LYS 14 HE1 LYS 14 -3.164 4.885 1.311 568 HZ1 LYS 14 HZ1 LYS 14 -1.944 7.351 2.314 569 HZ2 LYS 14 HZ2 LYS 14 -2.546 6.991 0.766 570 HZ3 LYS 14 HZ3 LYS 14 -1.035 6.388 1.255 571 H SER 15 HN SER 15 -6.761 4.713 7.406 572 HA SER 15 HA SER 15 -8.156 7.128 7.649 573 HB2 SER 15 HB2 SER 15 -9.400 6.050 9.454 574 HB3 SER 15 HB1 SER 15 -9.152 4.914 8.131 575 HG SER 15 HG SER 15 -7.744 5.105 10.584 576 H PHE 16 HN PHE 16 -5.831 5.584 9.854 577 HA PHE 16 HA PHE 16 -5.914 7.480 11.910 578 HB2 PHE 16 HB2 PHE 16 -4.784 5.360 12.215 579 HB3 PHE 16 HB1 PHE 16 -3.624 5.752 10.945 580 HD1 PHE 16 HD1 PHE 16 -4.871 6.862 14.284 581 HD2 PHE 16 HD2 PHE 16 -1.673 7.001 11.421 582 HE1 PHE 16 HE1 PHE 16 -3.432 8.006 15.947 583 HE2 PHE 16 HE2 PHE 16 -0.233 8.145 13.083 584 HZ PHE 16 HZ PHE 16 -1.113 8.649 15.347 585 H GLN 17 HN GLN 17 -3.825 7.321 9.034 586 HA GLN 17 HA GLN 17 -2.278 9.595 9.553 587 HB2 GLN 17 HB2 GLN 17 -2.013 7.818 7.691 588 HB3 GLN 17 HB1 GLN 17 -3.114 8.841 6.765 589 HG2 GLN 17 HG2 GLN 17 -0.727 10.051 8.138 590 HG3 GLN 17 HG1 GLN 17 -0.541 9.268 6.572 591 HE21 GLN 17 HE21 GLN 17 -0.309 12.188 7.203 592 HE22 GLN 17 HE22 GLN 17 -1.466 12.956 6.227
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