NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
632581 | 6ewt | 34194 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 4.680 -1.639 -0.195 2 HA MET 1 HA MET 1 2.400 -0.074 -1.226 3 HB2 MET 1 HB2 MET 1 5.331 0.119 -2.067 4 HB3 MET 1 HB3 MET 1 3.972 1.032 -2.737 5 HG2 MET 1 HG2 MET 1 5.008 2.515 -1.221 6 HG3 MET 1 HG3 MET 1 3.555 1.950 -0.404 7 HE1 MET 1 HE1 MET 1 3.853 1.939 2.164 8 HE2 MET 1 HE2 MET 1 5.460 2.021 2.902 9 HE3 MET 1 HE3 MET 1 4.974 3.242 1.709 10 H LYS 2 H LYS 2 1.208 -1.257 -2.605 11 HA LYS 2 HA LYS 2 2.271 -3.751 -3.682 12 HB2 LYS 2 HB2 LYS 2 -0.441 -2.350 -3.956 13 HB3 LYS 2 HB3 LYS 2 -0.036 -3.872 -4.737 14 HG2 LYS 2 HG2 LYS 2 -0.802 -4.868 -2.902 15 HG3 LYS 2 HG3 LYS 2 0.756 -4.488 -2.211 16 HD2 LYS 2 HD2 LYS 2 -0.755 -3.789 -0.561 17 HD3 LYS 2 HD3 LYS 2 -0.428 -2.261 -1.407 18 HE2 LYS 2 HE2 LYS 2 -2.450 -2.777 -2.871 19 HE3 LYS 2 HE3 LYS 2 -2.761 -4.185 -1.869 20 HZ1 LYS 2 HZ1 LYS 2 -4.044 -2.211 -1.369 21 HZ2 LYS 2 HZ2 LYS 2 -2.719 -1.432 -0.814 22 HZ3 LYS 2 HZ3 LYS 2 -3.260 -2.799 -0.041 23 H ASN 3 H ASN 3 1.614 -4.156 -6.070 24 HA ASN 3 HA ASN 3 2.243 -2.049 -7.935 25 HB2 ASN 3 HB2 ASN 3 4.087 -3.132 -8.963 26 HB3 ASN 3 HB3 ASN 3 4.516 -3.104 -7.265 27 HD21 ASN 3 HD21 ASN 3 4.009 -5.184 -6.004 28 HD22 ASN 3 HD22 ASN 3 3.801 -6.691 -6.912 29 H ALA 4 H ALA 4 1.953 -3.064 -10.182 30 HA ALA 4 HA ALA 4 -0.544 -4.138 -10.515 31 HB1 ALA 4 HB1 ALA 4 1.932 -4.513 -12.262 32 HB2 ALA 4 HB2 ALA 4 0.289 -4.917 -12.766 33 HB3 ALA 4 HB3 ALA 4 0.695 -3.237 -12.382 34 H ALA 5 H ALA 5 2.467 -6.189 -10.429 35 HA ALA 5 HA ALA 5 1.147 -8.634 -10.848 36 HB1 ALA 5 HB1 ALA 5 3.648 -8.229 -9.166 37 HB2 ALA 5 HB2 ALA 5 3.129 -9.698 -9.996 38 HB3 ALA 5 HB3 ALA 5 3.642 -8.278 -10.945 39 H LYS 6 H LYS 6 1.606 -6.758 -7.880 40 HA LYS 6 HA LYS 6 1.107 -8.852 -6.002 41 HB2 LYS 6 HB2 LYS 6 1.551 -6.040 -6.003 42 HB3 LYS 6 HB3 LYS 6 0.028 -6.238 -5.143 43 HG2 LYS 6 HG2 LYS 6 2.514 -7.853 -4.437 44 HG3 LYS 6 HG3 LYS 6 2.279 -6.210 -3.867 45 HD2 LYS 6 HD2 LYS 6 1.583 -7.632 -2.137 46 HD3 LYS 6 HD3 LYS 6 0.145 -6.859 -2.776 47 HE2 LYS 6 HE2 LYS 6 -0.542 -8.846 -3.937 48 HE3 LYS 6 HE3 LYS 6 0.995 -9.665 -3.545 49 HZ1 LYS 6 HZ1 LYS 6 -1.144 -8.870 -1.687 50 HZ2 LYS 6 HZ2 LYS 6 0.327 -9.396 -1.164 51 HZ3 LYS 6 HZ3 LYS 6 -0.694 -10.390 -2.011 52 H ILE 7 H ILE 7 -1.086 -6.442 -7.459 53 HA ILE 7 HA ILE 7 -3.441 -7.497 -6.296 54 HB ILE 7 HB ILE 7 -3.359 -5.952 -8.859 55 HG12 ILE 7 HG12 ILE 7 -3.635 -4.126 -6.633 56 HG13 ILE 7 HG13 ILE 7 -2.111 -4.951 -6.449 57 HG21 ILE 7 HG21 ILE 7 -5.402 -4.859 -7.889 58 HG22 ILE 7 HG22 ILE 7 -5.553 -6.590 -8.246 59 HG23 ILE 7 HG23 ILE 7 -5.328 -6.035 -6.563 60 HD11 ILE 7 HD11 ILE 7 -3.161 -3.538 -8.888 61 HD12 ILE 7 HD12 ILE 7 -1.837 -2.979 -7.786 62 HD13 ILE 7 HD13 ILE 7 -1.609 -4.436 -8.779 63 H VAL 8 H VAL 8 -1.853 -8.086 -9.493 64 HA VAL 8 HA VAL 8 -3.812 -9.751 -10.641 65 HB VAL 8 HB VAL 8 -0.789 -9.752 -10.819 66 HG11 VAL 8 HG11 VAL 8 -0.944 -11.020 -12.880 67 HG12 VAL 8 HG12 VAL 8 -1.736 -11.957 -11.598 68 HG13 VAL 8 HG13 VAL 8 -2.708 -11.048 -12.770 69 HG21 VAL 8 HG21 VAL 8 -2.126 -7.704 -11.648 70 HG22 VAL 8 HG22 VAL 8 -1.073 -8.464 -12.848 71 HG23 VAL 8 HG23 VAL 8 -2.826 -8.750 -12.861 72 H ASN 9 H ASN 9 -1.068 -10.685 -8.525 73 HA ASN 9 HA ASN 9 -1.787 -13.452 -8.431 74 HB2 ASN 9 HB2 ASN 9 0.098 -13.578 -7.315 75 HB3 ASN 9 HB3 ASN 9 0.212 -11.809 -7.255 76 HD21 ASN 9 HD21 ASN 9 -0.637 -10.748 -5.357 77 HD22 ASN 9 HD22 ASN 9 -0.771 -11.656 -3.830 78 H GLU 10 H GLU 10 -2.881 -10.684 -6.420 79 HA GLU 10 HA GLU 10 -4.321 -12.263 -4.551 80 HB2 GLU 10 HB2 GLU 10 -4.573 -9.370 -5.415 81 HB3 GLU 10 HB3 GLU 10 -5.726 -10.090 -4.314 82 HG2 GLU 10 HG2 GLU 10 -3.979 -10.712 -2.764 83 HG3 GLU 10 HG3 GLU 10 -2.720 -10.164 -3.878 84 H ALA 11 H ALA 11 -5.186 -11.060 -7.810 85 HA ALA 11 HA ALA 11 -7.943 -11.760 -7.641 86 HB1 ALA 11 HB1 ALA 11 -6.966 -10.257 -9.368 87 HB2 ALA 11 HB2 ALA 11 -6.139 -11.636 -10.107 88 HB3 ALA 11 HB3 ALA 11 -7.904 -11.574 -10.082 89 H LEU 12 H LEU 12 -5.134 -13.540 -8.936 90 HA LEU 12 HA LEU 12 -6.492 -15.891 -9.680 91 HB2 LEU 12 HB2 LEU 12 -3.724 -15.812 -8.456 92 HB3 LEU 12 HB3 LEU 12 -4.338 -17.059 -9.537 93 HG LEU 12 HG LEU 12 -3.782 -14.165 -10.312 94 HD11 LEU 12 HD11 LEU 12 -2.181 -16.594 -11.090 95 HD12 LEU 12 HD12 LEU 12 -1.761 -15.504 -9.762 96 HD13 LEU 12 HD13 LEU 12 -1.825 -14.893 -11.425 97 HD21 LEU 12 HD21 LEU 12 -5.485 -14.981 -11.742 98 HD22 LEU 12 HD22 LEU 12 -4.659 -16.544 -11.967 99 HD23 LEU 12 HD23 LEU 12 -3.984 -15.063 -12.662 100 H ASN 13 H ASN 13 -5.162 -15.023 -6.518 101 HA ASN 13 HA ASN 13 -5.603 -17.516 -5.209 102 HB2 ASN 13 HB2 ASN 13 -5.649 -14.681 -4.062 103 HB3 ASN 13 HB3 ASN 13 -5.764 -16.138 -3.083 104 HD21 ASN 13 HD21 ASN 13 -3.588 -13.972 -4.417 105 HD22 ASN 13 HD22 ASN 13 -2.114 -14.859 -4.193 106 H GLN 14 H GLN 14 -7.810 -14.752 -5.731 107 HA GLN 14 HA GLN 14 -9.967 -16.077 -4.246 108 HB2 GLN 14 HB2 GLN 14 -9.552 -13.410 -5.588 109 HB3 GLN 14 HB3 GLN 14 -11.205 -13.995 -5.368 110 HG2 GLN 14 HG2 GLN 14 -10.681 -12.653 -3.493 111 HG3 GLN 14 HG3 GLN 14 -10.812 -14.317 -2.957 112 HE21 GLN 14 HE21 GLN 14 -8.468 -11.680 -3.694 113 HE22 GLN 14 HE22 GLN 14 -7.279 -12.276 -2.566 114 H GLY 15 H GLY 15 -8.682 -16.747 -7.203 115 HA2 GLY 15 HA2 GLY 15 -9.473 -18.208 -8.778 116 HA3 GLY 15 HA3 GLY 15 -11.098 -18.149 -8.072 117 H ILE 16 H ILE 16 -8.962 -15.479 -9.261 118 HA ILE 16 HA ILE 16 -10.896 -14.919 -11.448 119 HB ILE 16 HB ILE 16 -9.559 -13.054 -9.475 120 HG12 ILE 16 HG12 ILE 16 -12.563 -13.078 -9.800 121 HG13 ILE 16 HG13 ILE 16 -11.873 -14.430 -8.946 122 HG21 ILE 16 HG21 ILE 16 -11.394 -12.111 -11.695 123 HG22 ILE 16 HG22 ILE 16 -10.737 -11.153 -10.371 124 HG23 ILE 16 HG23 ILE 16 -9.642 -11.806 -11.560 125 HD11 ILE 16 HD11 ILE 16 -10.636 -12.729 -7.490 126 HD12 ILE 16 HD12 ILE 16 -11.811 -11.560 -8.166 127 HD13 ILE 16 HD13 ILE 16 -12.379 -12.964 -7.257 128 H THR 17 H THR 17 -9.832 -13.588 -13.188 129 HA THR 17 HA THR 17 -6.877 -13.843 -13.280 130 HB THR 17 HB THR 17 -8.879 -14.950 -15.287 131 HG1 THR 17 HG1 THR 17 -7.663 -16.813 -14.880 132 HG21 THR 17 HG21 THR 17 -5.925 -14.302 -15.687 133 HG22 THR 17 HG22 THR 17 -7.301 -13.674 -16.615 134 HG23 THR 17 HG23 THR 17 -6.869 -15.385 -16.742 135 H LEU 18 H LEU 18 -6.154 -11.831 -13.519 136 HA LEU 18 HA LEU 18 -7.873 -9.742 -14.723 137 HB2 LEU 18 HB2 LEU 18 -5.146 -9.762 -13.382 138 HB3 LEU 18 HB3 LEU 18 -5.745 -8.380 -14.320 139 HG LEU 18 HG LEU 18 -7.242 -9.538 -11.956 140 HD11 LEU 18 HD11 LEU 18 -6.079 -8.316 -10.495 141 HD12 LEU 18 HD12 LEU 18 -5.930 -6.910 -11.584 142 HD13 LEU 18 HD13 LEU 18 -4.808 -8.259 -11.720 143 HD21 LEU 18 HD21 LEU 18 -8.177 -7.091 -12.098 144 HD22 LEU 18 HD22 LEU 18 -8.756 -8.300 -13.251 145 HD23 LEU 18 HD23 LEU 18 -7.529 -7.084 -13.704 146 H PHE 19 H PHE 19 -7.595 -9.079 -16.817 147 HA PHE 19 HA PHE 19 -5.191 -9.672 -18.332 148 HB2 PHE 19 HB2 PHE 19 -6.165 -10.917 -20.039 149 HB3 PHE 19 HB3 PHE 19 -6.746 -11.746 -18.591 150 HD1 PHE 19 HD1 PHE 19 -7.649 -9.766 -21.568 151 HD2 PHE 19 HD2 PHE 19 -9.182 -11.430 -17.882 152 HE1 PHE 19 HE1 PHE 19 -9.958 -9.517 -22.400 153 HE2 PHE 19 HE2 PHE 19 -11.493 -10.934 -18.662 154 HZ PHE 19 HZ PHE 19 -11.884 -10.065 -20.943 155 H VAL 20 H VAL 20 -5.163 -8.026 -20.083 156 HA VAL 20 HA VAL 20 -7.302 -5.941 -19.761 157 HB VAL 20 HB VAL 20 -4.565 -6.111 -20.724 158 HG11 VAL 20 HG11 VAL 20 -5.895 -3.444 -20.605 159 HG12 VAL 20 HG12 VAL 20 -4.303 -3.869 -21.275 160 HG13 VAL 20 HG13 VAL 20 -5.738 -4.382 -22.114 161 HG21 VAL 20 HG21 VAL 20 -5.066 -4.310 -18.477 162 HG22 VAL 20 HG22 VAL 20 -4.875 -6.060 -18.225 163 HG23 VAL 20 HG23 VAL 20 -3.626 -5.156 -19.062 164 H SER 21 H SER 21 -8.353 -5.184 -21.502 165 HA SER 21 HA SER 21 -8.016 -6.494 -24.154 166 HB2 SER 21 HB2 SER 21 -9.883 -7.593 -23.011 167 HB3 SER 21 HB3 SER 21 -10.490 -6.037 -22.452 168 HG SER 21 HG SER 21 -10.639 -7.170 -25.039 169 H ASP 22 H ASP 22 -7.843 -4.885 -25.677 170 HA ASP 22 HA ASP 22 -7.787 -2.803 -26.635 171 HB2 ASP 22 HB2 ASP 22 -10.281 -3.368 -26.503 172 HB3 ASP 22 HB3 ASP 22 -10.380 -2.259 -25.147 173 H ASN 23 H ASN 23 -6.213 -3.063 -24.392 174 HA ASN 23 HA ASN 23 -5.045 -1.945 -22.801 175 HB2 ASN 23 HB2 ASN 23 -5.642 0.223 -24.799 176 HB3 ASN 23 HB3 ASN 23 -4.834 0.592 -23.291 177 HD21 ASN 23 HD21 ASN 23 -4.457 -0.784 -26.456 178 HD22 ASN 23 HD22 ASN 23 -2.996 -1.703 -26.201 179 H LYS 24 H LYS 24 -7.455 -2.624 -21.991 180 HA LYS 24 HA LYS 24 -8.049 -0.553 -19.988 181 HB2 LYS 24 HB2 LYS 24 -9.580 -0.171 -21.773 182 HB3 LYS 24 HB3 LYS 24 -10.059 -1.871 -21.849 183 HG2 LYS 24 HG2 LYS 24 -11.796 -0.752 -20.697 184 HG3 LYS 24 HG3 LYS 24 -10.992 -1.822 -19.578 185 HD2 LYS 24 HD2 LYS 24 -10.065 -0.115 -18.314 186 HD3 LYS 24 HD3 LYS 24 -10.034 1.046 -19.658 187 HE2 LYS 24 HE2 LYS 24 -12.628 -0.001 -18.458 188 HE3 LYS 24 HE3 LYS 24 -11.794 1.419 -17.822 189 HZ1 LYS 24 HZ1 LYS 24 -12.684 1.181 -20.646 190 HZ2 LYS 24 HZ2 LYS 24 -11.961 2.457 -19.957 191 HZ3 LYS 24 HZ3 LYS 24 -13.466 2.041 -19.450 192 H LEU 25 H LEU 25 -7.677 -1.493 -18.183 193 HA LEU 25 HA LEU 25 -6.956 -4.157 -17.734 194 HB2 LEU 25 HB2 LEU 25 -6.379 -2.220 -16.344 195 HB3 LEU 25 HB3 LEU 25 -8.037 -2.056 -15.815 196 HG LEU 25 HG LEU 25 -6.178 -3.208 -14.415 197 HD11 LEU 25 HD11 LEU 25 -7.789 -4.514 -13.184 198 HD12 LEU 25 HD12 LEU 25 -8.956 -4.388 -14.512 199 HD13 LEU 25 HD13 LEU 25 -8.417 -2.919 -13.647 200 HD21 LEU 25 HD21 LEU 25 -5.522 -4.882 -16.079 201 HD22 LEU 25 HD22 LEU 25 -7.063 -5.728 -15.788 202 HD23 LEU 25 HD23 LEU 25 -5.904 -5.525 -14.476 203 H LYS 26 H LYS 26 -8.048 -5.889 -17.982 204 HA LYS 26 HA LYS 26 -10.963 -5.780 -17.133 205 HB2 LYS 26 HB2 LYS 26 -9.844 -6.715 -19.683 206 HB3 LYS 26 HB3 LYS 26 -10.715 -7.993 -18.845 207 HG2 LYS 26 HG2 LYS 26 -12.335 -6.915 -20.179 208 HG3 LYS 26 HG3 LYS 26 -12.642 -6.365 -18.528 209 HD2 LYS 26 HD2 LYS 26 -11.232 -4.288 -19.112 210 HD3 LYS 26 HD3 LYS 26 -11.195 -4.883 -20.754 211 HE2 LYS 26 HE2 LYS 26 -12.917 -3.202 -20.599 212 HE3 LYS 26 HE3 LYS 26 -13.679 -4.777 -20.856 213 HZ1 LYS 26 HZ1 LYS 26 -14.800 -3.441 -19.188 214 HZ2 LYS 26 HZ2 LYS 26 -13.500 -3.456 -18.194 215 HZ3 LYS 26 HZ3 LYS 26 -14.293 -4.855 -18.554 216 H TYR 27 H TYR 27 -11.806 -8.099 -16.662 217 HA TYR 27 HA TYR 27 -9.922 -9.705 -15.132 218 HB2 TYR 27 HB2 TYR 27 -10.982 -9.434 -13.007 219 HB3 TYR 27 HB3 TYR 27 -10.892 -7.819 -13.623 220 HD1 TYR 27 HD1 TYR 27 -12.887 -6.551 -14.159 221 HD2 TYR 27 HD2 TYR 27 -13.102 -10.675 -12.952 222 HE1 TYR 27 HE1 TYR 27 -15.353 -6.359 -13.953 223 HE2 TYR 27 HE2 TYR 27 -15.558 -10.509 -12.792 224 HH TYR 27 HH TYR 27 -17.388 -9.273 -13.366 225 H LYS 28 H LYS 28 -10.790 -11.812 -14.802 226 HA LYS 28 HA LYS 28 -13.290 -12.606 -16.184 227 HB2 LYS 28 HB2 LYS 28 -10.452 -13.229 -16.862 228 HB3 LYS 28 HB3 LYS 28 -11.359 -14.677 -16.505 229 HG2 LYS 28 HG2 LYS 28 -12.702 -12.701 -18.326 230 HG3 LYS 28 HG3 LYS 28 -11.252 -13.490 -18.951 231 HD2 LYS 28 HD2 LYS 28 -13.556 -15.073 -17.744 232 HD3 LYS 28 HD3 LYS 28 -13.489 -14.599 -19.456 233 HE2 LYS 28 HE2 LYS 28 -11.256 -15.645 -19.679 234 HE3 LYS 28 HE3 LYS 28 -11.318 -16.193 -18.005 235 HZ1 LYS 28 HZ1 LYS 28 -13.135 -17.614 -18.519 236 HZ2 LYS 28 HZ2 LYS 28 -12.028 -17.847 -19.741 237 HZ3 LYS 28 HZ3 LYS 28 -13.311 -16.939 -20.040 238 H THR 29 H THR 29 -14.231 -14.483 -15.107 239 HA THR 29 HA THR 29 -12.878 -15.841 -12.960 240 HB THR 29 HB THR 29 -13.169 -13.802 -11.726 241 HG1 THR 29 HG1 THR 29 -15.333 -14.566 -10.524 242 HG21 THR 29 HG21 THR 29 -14.771 -12.583 -13.092 243 HG22 THR 29 HG22 THR 29 -15.328 -12.650 -11.415 244 HG23 THR 29 HG23 THR 29 -16.071 -13.704 -12.626 245 H ASN 30 H ASN 30 -14.357 -17.359 -11.932 246 HA ASN 30 HA ASN 30 -16.554 -18.198 -13.764 247 HB2 ASN 30 HB2 ASN 30 -15.521 -19.861 -11.513 248 HB3 ASN 30 HB3 ASN 30 -16.399 -20.356 -12.939 249 HD21 ASN 30 HD21 ASN 30 -13.396 -20.408 -11.557 250 HD22 ASN 30 HD22 ASN 30 -12.422 -20.575 -13.008 251 H ARG 31 H ARG 31 -16.062 -16.552 -10.794 252 HA ARG 31 HA ARG 31 -18.864 -17.032 -9.978 253 HB2 ARG 31 HB2 ARG 31 -18.280 -16.751 -7.689 254 HB3 ARG 31 HB3 ARG 31 -17.338 -18.073 -8.340 255 HG2 ARG 31 HG2 ARG 31 -16.122 -15.288 -8.049 256 HG3 ARG 31 HG3 ARG 31 -16.300 -16.341 -6.671 257 HD2 ARG 31 HD2 ARG 31 -15.057 -17.814 -8.867 258 HD3 ARG 31 HD3 ARG 31 -14.215 -16.294 -8.576 259 HE ARG 31 HE ARG 31 -13.367 -17.074 -6.634 260 HH11 ARG 31 HH11 ARG 31 -15.818 -19.434 -7.692 261 HH12 ARG 31 HH12 ARG 31 -15.771 -20.359 -6.249 262 HH21 ARG 31 HH21 ARG 31 -13.306 -18.367 -4.657 263 HH22 ARG 31 HH22 ARG 31 -14.142 -19.881 -4.623 264 H ASP 32 H ASP 32 -20.018 -15.152 -9.487 265 HA ASP 32 HA ASP 32 -18.718 -12.628 -10.352 266 HB2 ASP 32 HB2 ASP 32 -21.619 -13.472 -9.913 267 HB3 ASP 32 HB3 ASP 32 -21.128 -11.815 -10.286 268 H SER 33 H SER 33 -19.459 -14.240 -7.469 269 HA SER 33 HA SER 33 -19.825 -11.827 -5.852 270 HB2 SER 33 HB2 SER 33 -20.988 -14.023 -5.488 271 HB3 SER 33 HB3 SER 33 -19.424 -14.695 -4.977 272 HG SER 33 HG SER 33 -20.035 -14.008 -3.127 273 H ILE 34 H ILE 34 -17.649 -11.341 -7.145 274 HA ILE 34 HA ILE 34 -15.212 -12.328 -5.795 275 HB ILE 34 HB ILE 34 -14.024 -10.791 -7.318 276 HG12 ILE 34 HG12 ILE 34 -15.434 -9.819 -9.273 277 HG13 ILE 34 HG13 ILE 34 -16.783 -9.815 -8.144 278 HG21 ILE 34 HG21 ILE 34 -14.505 -11.957 -9.359 279 HG22 ILE 34 HG22 ILE 34 -14.714 -13.092 -8.015 280 HG23 ILE 34 HG23 ILE 34 -16.135 -12.380 -8.816 281 HD11 ILE 34 HD11 ILE 34 -15.573 -7.662 -8.350 282 HD12 ILE 34 HD12 ILE 34 -15.564 -8.248 -6.687 283 HD13 ILE 34 HD13 ILE 34 -14.103 -8.410 -7.689 284 HA PRO 35 HA PRO 35 -15.403 -9.244 -2.617 285 HB2 PRO 35 HB2 PRO 35 -12.844 -8.496 -2.160 286 HB3 PRO 35 HB3 PRO 35 -13.416 -10.132 -1.770 287 HG2 PRO 35 HG2 PRO 35 -11.979 -9.249 -4.248 288 HG3 PRO 35 HG3 PRO 35 -11.567 -10.632 -3.179 289 HD2 PRO 35 HD2 PRO 35 -13.006 -10.986 -5.453 290 HD3 PRO 35 HD3 PRO 35 -13.459 -11.871 -3.968 291 H SER 36 H SER 36 -16.029 -7.116 -2.700 292 HA SER 36 HA SER 36 -15.778 -5.537 -5.006 293 HB2 SER 36 HB2 SER 36 -16.269 -4.606 -2.155 294 HB3 SER 36 HB3 SER 36 -16.823 -3.828 -3.646 295 HG SER 36 HG SER 36 -18.492 -5.008 -2.769 296 H GLU 37 H GLU 37 -13.426 -5.947 -2.451 297 HA GLU 37 HA GLU 37 -12.069 -3.475 -2.686 298 HB2 GLU 37 HB2 GLU 37 -10.348 -4.468 -1.462 299 HB3 GLU 37 HB3 GLU 37 -11.795 -5.369 -0.946 300 HG2 GLU 37 HG2 GLU 37 -11.087 -7.251 -2.397 301 HG3 GLU 37 HG3 GLU 37 -9.690 -6.311 -2.928 302 H LEU 38 H LEU 38 -11.968 -6.381 -4.658 303 HA LEU 38 HA LEU 38 -9.568 -5.783 -6.164 304 HB2 LEU 38 HB2 LEU 38 -11.879 -7.712 -6.310 305 HB3 LEU 38 HB3 LEU 38 -11.134 -7.334 -7.844 306 HG LEU 38 HG LEU 38 -9.039 -8.052 -7.154 307 HD11 LEU 38 HD11 LEU 38 -8.728 -7.319 -4.856 308 HD12 LEU 38 HD12 LEU 38 -8.484 -9.070 -4.922 309 HD13 LEU 38 HD13 LEU 38 -10.002 -8.401 -4.295 310 HD21 LEU 38 HD21 LEU 38 -10.940 -10.104 -6.001 311 HD22 LEU 38 HD22 LEU 38 -9.368 -10.398 -6.758 312 HD23 LEU 38 HD23 LEU 38 -10.733 -9.781 -7.716 313 H LEU 39 H LEU 39 -13.048 -5.174 -6.829 314 HA LEU 39 HA LEU 39 -12.642 -3.932 -9.319 315 HB2 LEU 39 HB2 LEU 39 -14.687 -3.252 -7.151 316 HB3 LEU 39 HB3 LEU 39 -14.776 -2.657 -8.809 317 HG LEU 39 HG LEU 39 -14.816 -5.603 -8.093 318 HD11 LEU 39 HD11 LEU 39 -16.745 -4.450 -7.084 319 HD12 LEU 39 HD12 LEU 39 -17.248 -5.513 -8.401 320 HD13 LEU 39 HD13 LEU 39 -17.173 -3.756 -8.669 321 HD21 LEU 39 HD21 LEU 39 -14.158 -5.138 -10.438 322 HD22 LEU 39 HD22 LEU 39 -15.605 -4.132 -10.654 323 HD23 LEU 39 HD23 LEU 39 -15.757 -5.881 -10.371 324 H GLU 40 H GLU 40 -12.256 -2.556 -6.074 325 HA GLU 40 HA GLU 40 -11.870 0.135 -7.180 326 HB2 GLU 40 HB2 GLU 40 -11.280 -0.753 -4.330 327 HB3 GLU 40 HB3 GLU 40 -11.456 0.901 -4.965 328 HG2 GLU 40 HG2 GLU 40 -13.822 0.042 -5.790 329 HG3 GLU 40 HG3 GLU 40 -13.513 -1.227 -4.597 330 H GLU 41 H GLU 41 -9.657 -2.335 -5.629 331 HA GLU 41 HA GLU 41 -7.446 -0.662 -6.007 332 HB2 GLU 41 HB2 GLU 41 -7.626 -2.840 -4.574 333 HB3 GLU 41 HB3 GLU 41 -7.018 -3.655 -6.061 334 HG2 GLU 41 HG2 GLU 41 -5.032 -2.574 -6.090 335 HG3 GLU 41 HG3 GLU 41 -5.619 -1.149 -5.231 336 H TRP 42 H TRP 42 -8.983 -2.962 -8.187 337 HA TRP 42 HA TRP 42 -6.967 -3.053 -10.165 338 HB2 TRP 42 HB2 TRP 42 -10.011 -3.238 -10.343 339 HB3 TRP 42 HB3 TRP 42 -8.937 -3.513 -11.688 340 HD1 TRP 42 HD1 TRP 42 -6.876 -5.170 -9.514 341 HE1 TRP 42 HE1 TRP 42 -7.496 -7.607 -8.967 342 HE3 TRP 42 HE3 TRP 42 -11.711 -5.137 -11.156 343 HZ2 TRP 42 HZ2 TRP 42 -9.644 -9.366 -9.578 344 HZ3 TRP 42 HZ3 TRP 42 -13.065 -7.229 -11.109 345 HH2 TRP 42 HH2 TRP 42 -12.035 -9.351 -10.366 346 H LYS 43 H LYS 43 -9.636 -0.762 -9.578 347 HA LYS 43 HA LYS 43 -9.066 0.817 -11.990 348 HB2 LYS 43 HB2 LYS 43 -11.279 0.911 -11.414 349 HB3 LYS 43 HB3 LYS 43 -11.001 0.834 -9.694 350 HG2 LYS 43 HG2 LYS 43 -10.259 3.384 -11.159 351 HG3 LYS 43 HG3 LYS 43 -11.949 3.010 -10.813 352 HD2 LYS 43 HD2 LYS 43 -11.408 2.660 -8.403 353 HD3 LYS 43 HD3 LYS 43 -9.755 3.199 -8.703 354 HE2 LYS 43 HE2 LYS 43 -10.535 5.412 -9.379 355 HE3 LYS 43 HE3 LYS 43 -12.223 4.872 -9.278 356 HZ1 LYS 43 HZ1 LYS 43 -10.353 5.035 -6.979 357 HZ2 LYS 43 HZ2 LYS 43 -11.890 4.485 -6.909 358 HZ3 LYS 43 HZ3 LYS 43 -11.613 6.048 -7.291 359 H GLN 44 H GLN 44 -8.055 0.801 -8.652 360 HA GLN 44 HA GLN 44 -6.952 3.482 -8.571 361 HB2 GLN 44 HB2 GLN 44 -6.463 0.987 -6.905 362 HB3 GLN 44 HB3 GLN 44 -5.566 2.477 -6.641 363 HG2 GLN 44 HG2 GLN 44 -7.437 3.673 -5.940 364 HG3 GLN 44 HG3 GLN 44 -8.575 2.565 -6.677 365 HE21 GLN 44 HE21 GLN 44 -5.817 1.919 -4.300 366 HE22 GLN 44 HE22 GLN 44 -6.910 1.106 -3.198 367 H HIS 45 H HIS 45 -5.581 0.286 -9.318 368 HA HIS 45 HA HIS 45 -3.057 1.593 -10.223 369 HB2 HIS 45 HB2 HIS 45 -3.661 -1.229 -9.264 370 HB3 HIS 45 HB3 HIS 45 -2.097 -0.694 -9.846 371 HD1 HIS 45 HD1 HIS 45 -0.685 1.004 -8.251 372 HD2 HIS 45 HD2 HIS 45 -4.450 -0.278 -6.847 373 HE1 HIS 45 HE1 HIS 45 -0.852 1.792 -5.834 374 H LYS 46 H LYS 46 -5.753 1.131 -11.745 375 HA LYS 46 HA LYS 46 -5.440 -0.875 -13.632 376 HB2 LYS 46 HB2 LYS 46 -6.927 0.325 -15.131 377 HB3 LYS 46 HB3 LYS 46 -7.534 0.283 -13.521 378 HG2 LYS 46 HG2 LYS 46 -7.991 2.457 -13.816 379 HG3 LYS 46 HG3 LYS 46 -6.289 2.707 -13.408 380 HD2 LYS 46 HD2 LYS 46 -5.767 2.484 -15.900 381 HD3 LYS 46 HD3 LYS 46 -7.518 2.463 -16.194 382 HE2 LYS 46 HE2 LYS 46 -7.741 4.664 -15.135 383 HE3 LYS 46 HE3 LYS 46 -6.042 4.636 -14.674 384 HZ1 LYS 46 HZ1 LYS 46 -5.560 4.527 -17.123 385 HZ2 LYS 46 HZ2 LYS 46 -6.251 5.949 -16.637 386 HZ3 LYS 46 HZ3 LYS 46 -7.146 4.768 -17.388 387 H GLN 47 H GLN 47 -3.939 2.344 -13.687 388 HA GLN 47 HA GLN 47 -2.970 2.200 -16.308 389 HB2 GLN 47 HB2 GLN 47 -3.105 4.223 -14.904 390 HB3 GLN 47 HB3 GLN 47 -1.819 3.606 -13.878 391 HG2 GLN 47 HG2 GLN 47 -0.963 5.293 -15.412 392 HG3 GLN 47 HG3 GLN 47 -0.242 3.726 -15.803 393 HE21 GLN 47 HE21 GLN 47 -0.936 2.647 -17.732 394 HE22 GLN 47 HE22 GLN 47 -1.740 3.439 -19.027 395 H GLU 48 H GLU 48 -1.322 1.210 -13.258 396 HA GLU 48 HA GLU 48 0.992 0.261 -14.767 397 HB2 GLU 48 HB2 GLU 48 1.829 -0.509 -12.589 398 HB3 GLU 48 HB3 GLU 48 1.319 1.176 -12.558 399 HG2 GLU 48 HG2 GLU 48 -0.808 0.480 -11.477 400 HG3 GLU 48 HG3 GLU 48 -0.232 -1.205 -11.441 401 H LEU 49 H LEU 49 -1.966 -1.134 -13.471 402 HA LEU 49 HA LEU 49 -1.296 -3.885 -13.695 403 HB2 LEU 49 HB2 LEU 49 -3.859 -2.297 -13.672 404 HB3 LEU 49 HB3 LEU 49 -3.962 -3.971 -14.151 405 HG LEU 49 HG LEU 49 -2.629 -3.181 -11.537 406 HD11 LEU 49 HD11 LEU 49 -4.768 -3.795 -10.449 407 HD12 LEU 49 HD12 LEU 49 -5.544 -3.945 -12.040 408 HD13 LEU 49 HD13 LEU 49 -4.949 -2.369 -11.474 409 HD21 LEU 49 HD21 LEU 49 -3.910 -5.769 -12.561 410 HD22 LEU 49 HD22 LEU 49 -3.183 -5.532 -10.972 411 HD23 LEU 49 HD23 LEU 49 -2.163 -5.471 -12.410 412 H ILE 50 H ILE 50 -2.620 -1.580 -16.061 413 HA ILE 50 HA ILE 50 -2.981 -3.499 -18.149 414 HB ILE 50 HB ILE 50 -2.639 -0.464 -18.156 415 HG12 ILE 50 HG12 ILE 50 -5.019 -2.177 -18.974 416 HG13 ILE 50 HG13 ILE 50 -4.708 -1.700 -17.315 417 HG21 ILE 50 HG21 ILE 50 -1.760 -1.178 -20.328 418 HG22 ILE 50 HG22 ILE 50 -3.128 -2.269 -20.565 419 HG23 ILE 50 HG23 ILE 50 -3.362 -0.509 -20.572 420 HD11 ILE 50 HD11 ILE 50 -5.233 0.163 -19.635 421 HD12 ILE 50 HD12 ILE 50 -6.328 -0.203 -18.295 422 HD13 ILE 50 HD13 ILE 50 -4.820 0.677 -17.978 423 H ASP 51 H ASP 51 -0.371 -1.179 -17.446 424 HA ASP 51 HA ASP 51 1.334 -1.720 -19.524 425 HB2 ASP 51 HB2 ASP 51 1.443 0.033 -17.680 426 HB3 ASP 51 HB3 ASP 51 2.216 -1.194 -16.676 427 H PHE 52 H PHE 52 1.158 -3.441 -16.421 428 HA PHE 52 HA PHE 52 3.295 -5.304 -16.984 429 HB2 PHE 52 HB2 PHE 52 2.745 -4.559 -14.754 430 HB3 PHE 52 HB3 PHE 52 1.067 -5.047 -14.949 431 HD1 PHE 52 HD1 PHE 52 4.557 -6.266 -14.601 432 HD2 PHE 52 HD2 PHE 52 0.418 -7.379 -14.644 433 HE1 PHE 52 HE1 PHE 52 5.132 -8.430 -13.505 434 HE2 PHE 52 HE2 PHE 52 0.983 -9.584 -13.586 435 HZ PHE 52 HZ PHE 52 3.350 -10.102 -13.037 436 H LEU 53 H LEU 53 -0.309 -5.454 -17.012 437 HA LEU 53 HA LEU 53 -0.320 -8.283 -17.629 438 HB2 LEU 53 HB2 LEU 53 -2.389 -6.127 -17.649 439 HB3 LEU 53 HB3 LEU 53 -2.791 -7.717 -18.242 440 HG LEU 53 HG LEU 53 -1.601 -7.290 -15.461 441 HD11 LEU 53 HD11 LEU 53 -3.646 -5.980 -15.733 442 HD12 LEU 53 HD12 LEU 53 -3.825 -7.293 -14.573 443 HD13 LEU 53 HD13 LEU 53 -4.536 -7.445 -16.210 444 HD21 LEU 53 HD21 LEU 53 -3.120 -9.582 -16.791 445 HD22 LEU 53 HD22 LEU 53 -2.773 -9.508 -15.053 446 HD23 LEU 53 HD23 LEU 53 -1.449 -9.594 -16.210 447 H THR 54 H THR 54 -0.103 -5.446 -19.606 448 HA THR 54 HA THR 54 -0.808 -6.991 -21.990 449 HB THR 54 HB THR 54 -1.475 -4.593 -21.461 450 HG1 THR 54 HG1 THR 54 -0.352 -5.026 -24.017 451 HG21 THR 54 HG21 THR 54 1.155 -3.761 -22.654 452 HG22 THR 54 HG22 THR 54 0.809 -3.792 -20.917 453 HG23 THR 54 HG23 THR 54 -0.157 -2.760 -21.959 454 H GLN 55 H GLN 55 2.169 -5.741 -20.407 455 HA GLN 55 HA GLN 55 3.758 -6.445 -22.720 456 HB2 GLN 55 HB2 GLN 55 5.630 -5.890 -21.392 457 HB3 GLN 55 HB3 GLN 55 4.309 -4.812 -20.930 458 HG2 GLN 55 HG2 GLN 55 4.987 -5.349 -18.823 459 HG3 GLN 55 HG3 GLN 55 3.914 -6.686 -19.069 460 HE21 GLN 55 HE21 GLN 55 4.793 -8.799 -18.873 461 HE22 GLN 55 HE22 GLN 55 6.521 -9.084 -18.770 462 H LEU 56 H LEU 56 2.450 -8.222 -19.984 463 HA LEU 56 HA LEU 56 4.176 -10.505 -20.418 464 HB2 LEU 56 HB2 LEU 56 3.349 -11.360 -18.542 465 HB3 LEU 56 HB3 LEU 56 2.869 -9.695 -18.286 466 HG LEU 56 HG LEU 56 0.536 -10.348 -19.114 467 HD11 LEU 56 HD11 LEU 56 0.092 -12.888 -18.598 468 HD12 LEU 56 HD12 LEU 56 1.828 -13.090 -18.982 469 HD13 LEU 56 HD13 LEU 56 0.696 -12.460 -20.180 470 HD21 LEU 56 HD21 LEU 56 1.688 -11.634 -16.602 471 HD22 LEU 56 HD22 LEU 56 -0.032 -11.304 -16.899 472 HD23 LEU 56 HD23 LEU 56 1.121 -9.963 -16.759 473 H GLU 57 H GLU 57 1.040 -9.379 -21.575 474 HA GLU 57 HA GLU 57 0.025 -11.756 -22.721 475 HB2 GLU 57 HB2 GLU 57 -0.987 -9.301 -22.357 476 HB3 GLU 57 HB3 GLU 57 -0.386 -9.039 -23.978 477 HG2 GLU 57 HG2 GLU 57 -2.489 -9.694 -24.442 478 HG3 GLU 57 HG3 GLU 57 -1.752 -11.297 -24.489 479 H SER 58 H SER 58 2.653 -9.680 -23.710 480 HA SER 58 HA SER 58 2.676 -10.232 -26.527 481 HB2 SER 58 HB2 SER 58 4.923 -9.297 -24.735 482 HB3 SER 58 HB3 SER 58 4.700 -8.964 -26.451 483 HG SER 58 HG SER 58 2.888 -7.716 -25.940 484 H GLU 59 H GLU 59 3.893 -11.918 -23.675 485 HA GLU 59 HA GLU 59 5.681 -13.608 -25.356 486 HB2 GLU 59 HB2 GLU 59 6.651 -12.320 -23.505 487 HB3 GLU 59 HB3 GLU 59 5.598 -13.136 -22.352 488 HG2 GLU 59 HG2 GLU 59 6.714 -15.219 -22.666 489 HG3 GLU 59 HG3 GLU 59 7.493 -14.683 -24.154 490 H GLU 60 H GLU 60 5.703 -15.927 -24.882 491 HA GLU 60 HA GLU 60 3.045 -17.055 -24.864 492 HB2 GLU 60 HB2 GLU 60 5.841 -18.254 -24.891 493 HB3 GLU 60 HB3 GLU 60 4.392 -19.211 -24.906 494 HG2 GLU 60 HG2 GLU 60 5.119 -19.032 -27.150 495 HG3 GLU 60 HG3 GLU 60 3.639 -18.080 -27.003 496 H GLU 61 H GLU 61 5.883 -17.468 -22.619 497 HA GLU 61 HA GLU 61 4.266 -17.545 -20.233 498 HB2 GLU 61 HB2 GLU 61 4.154 -19.875 -21.212 499 HB3 GLU 61 HB3 GLU 61 5.911 -19.891 -21.316 500 HG2 GLU 61 HG2 GLU 61 5.983 -19.748 -18.780 501 HG3 GLU 61 HG3 GLU 61 4.221 -19.914 -18.786 502 H SER 62 H SER 62 5.862 -17.458 -18.417 503 HA SER 62 HA SER 62 8.718 -17.137 -18.965 504 HB2 SER 62 HB2 SER 62 8.678 -14.782 -17.983 505 HB3 SER 62 HB3 SER 62 8.041 -14.945 -19.634 506 HG SER 62 HG SER 62 6.380 -15.197 -17.372 Start of MODEL 2 1 H1 MET 1 H MET 1 1.844 -0.113 0.727 2 HA MET 1 HA MET 1 1.679 0.682 -2.003 3 HB2 MET 1 HB2 MET 1 4.047 -0.599 -0.640 4 HB3 MET 1 HB3 MET 1 4.062 0.454 -2.048 5 HG2 MET 1 HG2 MET 1 3.080 1.384 0.628 6 HG3 MET 1 HG3 MET 1 4.781 1.452 0.172 7 HE1 MET 1 HE1 MET 1 4.139 2.835 -3.332 8 HE2 MET 1 HE2 MET 1 5.289 3.784 -2.390 9 HE3 MET 1 HE3 MET 1 5.274 2.025 -2.252 10 H LYS 2 H LYS 2 1.009 -0.573 -3.603 11 HA LYS 2 HA LYS 2 1.947 -3.345 -3.723 12 HB2 LYS 2 HB2 LYS 2 -0.930 -2.513 -4.146 13 HB3 LYS 2 HB3 LYS 2 -0.284 -4.128 -4.408 14 HG2 LYS 2 HG2 LYS 2 -0.453 -4.649 -2.254 15 HG3 LYS 2 HG3 LYS 2 0.297 -3.134 -1.746 16 HD2 LYS 2 HD2 LYS 2 -1.889 -3.115 -0.846 17 HD3 LYS 2 HD3 LYS 2 -1.926 -2.024 -2.233 18 HE2 LYS 2 HE2 LYS 2 -3.210 -3.450 -3.491 19 HE3 LYS 2 HE3 LYS 2 -2.629 -4.887 -2.650 20 HZ1 LYS 2 HZ1 LYS 2 -4.265 -4.757 -1.159 21 HZ2 LYS 2 HZ2 LYS 2 -5.024 -3.706 -2.246 22 HZ3 LYS 2 HZ3 LYS 2 -4.108 -3.083 -0.967 23 H ASN 3 H ASN 3 2.327 -4.112 -5.772 24 HA ASN 3 HA ASN 3 2.228 -2.101 -7.899 25 HB2 ASN 3 HB2 ASN 3 4.006 -3.226 -8.938 26 HB3 ASN 3 HB3 ASN 3 4.378 -3.354 -7.221 27 HD21 ASN 3 HD21 ASN 3 3.672 -5.360 -6.146 28 HD22 ASN 3 HD22 ASN 3 3.757 -6.835 -7.041 29 H ALA 4 H ALA 4 2.055 -3.230 -10.178 30 HA ALA 4 HA ALA 4 -0.566 -4.027 -10.546 31 HB1 ALA 4 HB1 ALA 4 1.888 -4.325 -12.238 32 HB2 ALA 4 HB2 ALA 4 0.331 -4.961 -12.773 33 HB3 ALA 4 HB3 ALA 4 0.515 -3.237 -12.447 34 H ALA 5 H ALA 5 2.332 -6.105 -10.543 35 HA ALA 5 HA ALA 5 1.015 -8.547 -10.859 36 HB1 ALA 5 HB1 ALA 5 3.479 -8.136 -11.065 37 HB2 ALA 5 HB2 ALA 5 3.561 -8.142 -9.303 38 HB3 ALA 5 HB3 ALA 5 3.040 -9.588 -10.166 39 H LYS 6 H LYS 6 1.605 -6.607 -7.999 40 HA LYS 6 HA LYS 6 1.108 -8.461 -5.996 41 HB2 LYS 6 HB2 LYS 6 1.382 -5.652 -6.188 42 HB3 LYS 6 HB3 LYS 6 -0.109 -5.954 -5.305 43 HG2 LYS 6 HG2 LYS 6 2.341 -7.450 -4.525 44 HG3 LYS 6 HG3 LYS 6 2.188 -5.754 -4.061 45 HD2 LYS 6 HD2 LYS 6 1.296 -6.952 -2.251 46 HD3 LYS 6 HD3 LYS 6 -0.113 -6.390 -3.153 47 HE2 LYS 6 HE2 LYS 6 -0.713 -8.480 -3.773 48 HE3 LYS 6 HE3 LYS 6 0.956 -9.022 -3.943 49 HZ1 LYS 6 HZ1 LYS 6 1.062 -9.672 -1.793 50 HZ2 LYS 6 HZ2 LYS 6 -0.606 -9.855 -1.999 51 HZ3 LYS 6 HZ3 LYS 6 0.006 -8.472 -1.240 52 H ILE 7 H ILE 7 -1.236 -6.301 -7.591 53 HA ILE 7 HA ILE 7 -3.502 -7.375 -6.284 54 HB ILE 7 HB ILE 7 -3.566 -6.063 -8.992 55 HG12 ILE 7 HG12 ILE 7 -4.011 -4.116 -7.012 56 HG13 ILE 7 HG13 ILE 7 -2.564 -4.982 -6.509 57 HG21 ILE 7 HG21 ILE 7 -5.707 -5.129 -7.980 58 HG22 ILE 7 HG22 ILE 7 -5.696 -6.844 -8.387 59 HG23 ILE 7 HG23 ILE 7 -5.499 -6.335 -6.710 60 HD11 ILE 7 HD11 ILE 7 -1.819 -3.182 -7.812 61 HD12 ILE 7 HD12 ILE 7 -1.697 -4.599 -8.856 62 HD13 ILE 7 HD13 ILE 7 -3.037 -3.470 -9.054 63 H VAL 8 H VAL 8 -1.975 -8.069 -9.399 64 HA VAL 8 HA VAL 8 -3.880 -9.776 -10.480 65 HB VAL 8 HB VAL 8 -0.875 -9.920 -10.747 66 HG11 VAL 8 HG11 VAL 8 -1.344 -11.924 -11.666 67 HG12 VAL 8 HG12 VAL 8 -3.047 -11.533 -11.911 68 HG13 VAL 8 HG13 VAL 8 -1.834 -10.949 -13.051 69 HG21 VAL 8 HG21 VAL 8 -2.562 -8.900 -12.936 70 HG22 VAL 8 HG22 VAL 8 -2.470 -7.879 -11.501 71 HG23 VAL 8 HG23 VAL 8 -0.996 -8.338 -12.353 72 H ASN 9 H ASN 9 -1.030 -10.648 -8.522 73 HA ASN 9 HA ASN 9 -1.458 -13.384 -8.393 74 HB2 ASN 9 HB2 ASN 9 0.411 -13.277 -7.169 75 HB3 ASN 9 HB3 ASN 9 0.279 -11.521 -7.179 76 HD21 ASN 9 HD21 ASN 9 -0.340 -10.467 -5.364 77 HD22 ASN 9 HD22 ASN 9 -0.632 -11.246 -3.850 78 H GLU 10 H GLU 10 -2.917 -10.790 -6.532 79 HA GLU 10 HA GLU 10 -4.158 -12.461 -4.591 80 HB2 GLU 10 HB2 GLU 10 -4.514 -9.609 -5.451 81 HB3 GLU 10 HB3 GLU 10 -5.664 -10.348 -4.346 82 HG2 GLU 10 HG2 GLU 10 -3.606 -10.984 -2.952 83 HG3 GLU 10 HG3 GLU 10 -2.755 -9.791 -3.931 84 H ALA 11 H ALA 11 -5.133 -11.175 -7.716 85 HA ALA 11 HA ALA 11 -7.861 -11.828 -7.600 86 HB1 ALA 11 HB1 ALA 11 -5.924 -11.173 -9.731 87 HB2 ALA 11 HB2 ALA 11 -7.386 -12.025 -10.229 88 HB3 ALA 11 HB3 ALA 11 -7.509 -10.483 -9.383 89 H LEU 12 H LEU 12 -5.124 -13.649 -8.971 90 HA LEU 12 HA LEU 12 -6.520 -15.874 -9.863 91 HB2 LEU 12 HB2 LEU 12 -3.790 -16.025 -8.618 92 HB3 LEU 12 HB3 LEU 12 -4.455 -17.021 -9.911 93 HG LEU 12 HG LEU 12 -3.648 -14.121 -10.114 94 HD11 LEU 12 HD11 LEU 12 -2.090 -16.404 -10.216 95 HD12 LEU 12 HD12 LEU 12 -1.668 -14.815 -10.852 96 HD13 LEU 12 HD13 LEU 12 -2.400 -16.022 -11.909 97 HD21 LEU 12 HD21 LEU 12 -5.475 -14.345 -11.564 98 HD22 LEU 12 HD22 LEU 12 -5.007 -15.977 -12.045 99 HD23 LEU 12 HD23 LEU 12 -4.060 -14.591 -12.589 100 H ASN 13 H ASN 13 -5.147 -15.227 -6.660 101 HA ASN 13 HA ASN 13 -5.683 -17.703 -5.486 102 HB2 ASN 13 HB2 ASN 13 -5.147 -14.958 -4.509 103 HB3 ASN 13 HB3 ASN 13 -5.942 -16.042 -3.370 104 HD21 ASN 13 HD21 ASN 13 -3.033 -14.956 -4.414 105 HD22 ASN 13 HD22 ASN 13 -2.031 -16.266 -3.899 106 H GLN 14 H GLN 14 -7.746 -14.926 -6.043 107 HA GLN 14 HA GLN 14 -9.934 -16.134 -4.541 108 HB2 GLN 14 HB2 GLN 14 -9.348 -13.447 -5.647 109 HB3 GLN 14 HB3 GLN 14 -11.041 -13.921 -5.602 110 HG2 GLN 14 HG2 GLN 14 -10.526 -12.713 -3.608 111 HG3 GLN 14 HG3 GLN 14 -10.798 -14.403 -3.190 112 HE21 GLN 14 HE21 GLN 14 -8.337 -11.958 -3.716 113 HE22 GLN 14 HE22 GLN 14 -7.117 -12.708 -2.750 114 H GLY 15 H GLY 15 -8.789 -17.127 -7.188 115 HA2 GLY 15 HA2 GLY 15 -9.637 -18.193 -9.036 116 HA3 GLY 15 HA3 GLY 15 -11.224 -18.026 -8.298 117 H ILE 16 H ILE 16 -8.969 -15.496 -9.336 118 HA ILE 16 HA ILE 16 -10.883 -14.722 -11.428 119 HB ILE 16 HB ILE 16 -9.622 -12.856 -9.416 120 HG12 ILE 16 HG12 ILE 16 -12.505 -12.715 -9.858 121 HG13 ILE 16 HG13 ILE 16 -11.987 -14.296 -9.284 122 HG21 ILE 16 HG21 ILE 16 -10.834 -12.378 -12.078 123 HG22 ILE 16 HG22 ILE 16 -11.234 -11.246 -10.787 124 HG23 ILE 16 HG23 ILE 16 -9.550 -11.505 -11.242 125 HD11 ILE 16 HD11 ILE 16 -12.285 -13.314 -7.281 126 HD12 ILE 16 HD12 ILE 16 -10.640 -12.747 -7.572 127 HD13 ILE 16 HD13 ILE 16 -12.010 -11.690 -7.911 128 H THR 17 H THR 17 -9.973 -14.258 -13.331 129 HA THR 17 HA THR 17 -7.041 -14.137 -13.452 130 HB THR 17 HB THR 17 -9.090 -14.840 -15.556 131 HG1 THR 17 HG1 THR 17 -6.901 -16.421 -14.726 132 HG21 THR 17 HG21 THR 17 -7.608 -13.964 -17.013 133 HG22 THR 17 HG22 THR 17 -6.684 -15.429 -16.679 134 HG23 THR 17 HG23 THR 17 -6.306 -13.934 -15.824 135 H LEU 18 H LEU 18 -6.199 -12.171 -13.610 136 HA LEU 18 HA LEU 18 -7.775 -9.968 -14.659 137 HB2 LEU 18 HB2 LEU 18 -5.207 -10.226 -13.168 138 HB3 LEU 18 HB3 LEU 18 -5.525 -8.749 -14.076 139 HG LEU 18 HG LEU 18 -7.266 -9.842 -11.866 140 HD11 LEU 18 HD11 LEU 18 -6.056 -7.294 -11.344 141 HD12 LEU 18 HD12 LEU 18 -4.815 -8.497 -11.691 142 HD13 LEU 18 HD13 LEU 18 -5.983 -8.783 -10.402 143 HD21 LEU 18 HD21 LEU 18 -8.787 -8.562 -12.918 144 HD22 LEU 18 HD22 LEU 18 -7.566 -7.676 -13.831 145 HD23 LEU 18 HD23 LEU 18 -7.913 -7.231 -12.160 146 H PHE 19 H PHE 19 -7.726 -9.414 -16.725 147 HA PHE 19 HA PHE 19 -5.219 -9.635 -18.215 148 HB2 PHE 19 HB2 PHE 19 -6.188 -10.779 -20.058 149 HB3 PHE 19 HB3 PHE 19 -6.672 -11.677 -18.623 150 HD1 PHE 19 HD1 PHE 19 -7.778 -9.882 -21.520 151 HD2 PHE 19 HD2 PHE 19 -8.988 -11.326 -17.703 152 HE1 PHE 19 HE1 PHE 19 -10.136 -9.669 -22.191 153 HE2 PHE 19 HE2 PHE 19 -11.348 -11.116 -18.368 154 HZ PHE 19 HZ PHE 19 -11.925 -10.288 -20.614 155 H VAL 20 H VAL 20 -5.049 -8.221 -19.996 156 HA VAL 20 HA VAL 20 -6.841 -5.914 -19.807 157 HB VAL 20 HB VAL 20 -4.184 -6.173 -21.223 158 HG11 VAL 20 HG11 VAL 20 -5.836 -3.719 -20.631 159 HG12 VAL 20 HG12 VAL 20 -4.265 -3.756 -21.434 160 HG13 VAL 20 HG13 VAL 20 -5.672 -4.483 -22.211 161 HG21 VAL 20 HG21 VAL 20 -3.175 -5.112 -19.393 162 HG22 VAL 20 HG22 VAL 20 -4.725 -4.625 -18.707 163 HG23 VAL 20 HG23 VAL 20 -4.238 -6.319 -18.669 164 H SER 21 H SER 21 -8.183 -5.310 -21.401 165 HA SER 21 HA SER 21 -7.934 -6.634 -24.016 166 HB2 SER 21 HB2 SER 21 -9.735 -7.670 -22.580 167 HB3 SER 21 HB3 SER 21 -10.576 -6.120 -22.637 168 HG SER 21 HG SER 21 -10.570 -8.080 -24.450 169 H ASP 22 H ASP 22 -7.676 -5.168 -25.551 170 HA ASP 22 HA ASP 22 -7.854 -3.266 -26.787 171 HB2 ASP 22 HB2 ASP 22 -10.422 -3.742 -25.820 172 HB3 ASP 22 HB3 ASP 22 -10.127 -2.046 -25.446 173 H ASN 23 H ASN 23 -6.200 -3.252 -24.502 174 HA ASN 23 HA ASN 23 -4.912 -1.794 -23.321 175 HB2 ASN 23 HB2 ASN 23 -5.710 -0.343 -25.509 176 HB3 ASN 23 HB3 ASN 23 -6.259 0.673 -24.178 177 HD21 ASN 23 HD21 ASN 23 -3.413 -1.327 -24.900 178 HD22 ASN 23 HD22 ASN 23 -2.251 -0.126 -24.464 179 H LYS 24 H LYS 24 -7.448 -2.810 -22.304 180 HA LYS 24 HA LYS 24 -7.847 -0.825 -20.181 181 HB2 LYS 24 HB2 LYS 24 -9.723 -0.658 -21.803 182 HB3 LYS 24 HB3 LYS 24 -10.091 -2.354 -21.512 183 HG2 LYS 24 HG2 LYS 24 -11.547 -0.776 -20.276 184 HG3 LYS 24 HG3 LYS 24 -10.676 -1.907 -19.238 185 HD2 LYS 24 HD2 LYS 24 -9.477 -0.272 -18.252 186 HD3 LYS 24 HD3 LYS 24 -9.285 0.631 -19.756 187 HE2 LYS 24 HE2 LYS 24 -11.900 0.515 -18.281 188 HE3 LYS 24 HE3 LYS 24 -10.665 1.715 -17.903 189 HZ1 LYS 24 HZ1 LYS 24 -10.971 1.764 -20.647 190 HZ2 LYS 24 HZ2 LYS 24 -11.486 2.934 -19.541 191 HZ3 LYS 24 HZ3 LYS 24 -12.541 1.702 -20.021 192 H LEU 25 H LEU 25 -7.729 -1.670 -18.197 193 HA LEU 25 HA LEU 25 -7.015 -4.358 -17.780 194 HB2 LEU 25 HB2 LEU 25 -6.253 -2.839 -16.182 195 HB3 LEU 25 HB3 LEU 25 -7.850 -2.123 -15.969 196 HG LEU 25 HG LEU 25 -8.588 -3.924 -14.632 197 HD11 LEU 25 HD11 LEU 25 -6.573 -5.739 -14.295 198 HD12 LEU 25 HD12 LEU 25 -6.470 -5.380 -16.018 199 HD13 LEU 25 HD13 LEU 25 -7.985 -5.960 -15.328 200 HD21 LEU 25 HD21 LEU 25 -7.435 -2.722 -13.105 201 HD22 LEU 25 HD22 LEU 25 -5.934 -2.776 -14.031 202 HD23 LEU 25 HD23 LEU 25 -6.424 -4.167 -13.063 203 H LYS 26 H LYS 26 -8.227 -6.120 -17.731 204 HA LYS 26 HA LYS 26 -11.055 -5.870 -16.942 205 HB2 LYS 26 HB2 LYS 26 -9.917 -6.865 -19.415 206 HB3 LYS 26 HB3 LYS 26 -10.878 -8.104 -18.617 207 HG2 LYS 26 HG2 LYS 26 -12.399 -7.030 -20.000 208 HG3 LYS 26 HG3 LYS 26 -12.686 -6.295 -18.421 209 HD2 LYS 26 HD2 LYS 26 -11.628 -4.305 -19.020 210 HD3 LYS 26 HD3 LYS 26 -10.773 -5.057 -20.369 211 HE2 LYS 26 HE2 LYS 26 -12.557 -3.633 -21.190 212 HE3 LYS 26 HE3 LYS 26 -12.906 -5.322 -21.555 213 HZ1 LYS 26 HZ1 LYS 26 -14.768 -3.862 -20.608 214 HZ2 LYS 26 HZ2 LYS 26 -13.987 -4.056 -19.121 215 HZ3 LYS 26 HZ3 LYS 26 -14.559 -5.410 -19.958 216 H TYR 27 H TYR 27 -11.998 -8.041 -16.307 217 HA TYR 27 HA TYR 27 -10.018 -9.819 -15.083 218 HB2 TYR 27 HB2 TYR 27 -10.910 -9.685 -12.928 219 HB3 TYR 27 HB3 TYR 27 -10.920 -8.009 -13.466 220 HD1 TYR 27 HD1 TYR 27 -13.029 -6.897 -14.028 221 HD2 TYR 27 HD2 TYR 27 -12.966 -10.892 -12.567 222 HE1 TYR 27 HE1 TYR 27 -15.438 -6.754 -13.552 223 HE2 TYR 27 HE2 TYR 27 -15.375 -10.761 -12.088 224 HH TYR 27 HH TYR 27 -17.209 -7.779 -12.690 225 H LYS 28 H LYS 28 -10.668 -11.941 -14.859 226 HA LYS 28 HA LYS 28 -13.328 -12.604 -15.941 227 HB2 LYS 28 HB2 LYS 28 -10.665 -13.471 -16.794 228 HB3 LYS 28 HB3 LYS 28 -11.768 -14.809 -16.501 229 HG2 LYS 28 HG2 LYS 28 -13.135 -12.799 -17.990 230 HG3 LYS 28 HG3 LYS 28 -11.594 -13.153 -18.773 231 HD2 LYS 28 HD2 LYS 28 -13.428 -15.348 -17.864 232 HD3 LYS 28 HD3 LYS 28 -13.640 -14.563 -19.430 233 HE2 LYS 28 HE2 LYS 28 -11.317 -15.149 -20.007 234 HE3 LYS 28 HE3 LYS 28 -11.160 -15.982 -18.461 235 HZ1 LYS 28 HZ1 LYS 28 -11.692 -17.422 -20.422 236 HZ2 LYS 28 HZ2 LYS 28 -13.218 -16.696 -20.469 237 HZ3 LYS 28 HZ3 LYS 28 -12.746 -17.583 -19.108 238 H THR 29 H THR 29 -14.346 -14.460 -15.101 239 HA THR 29 HA THR 29 -13.240 -16.185 -13.183 240 HB THR 29 HB THR 29 -13.117 -14.376 -11.642 241 HG1 THR 29 HG1 THR 29 -14.049 -15.535 -10.140 242 HG21 THR 29 HG21 THR 29 -14.949 -12.884 -11.140 243 HG22 THR 29 HG22 THR 29 -16.012 -13.762 -12.240 244 HG23 THR 29 HG23 THR 29 -14.642 -12.852 -12.876 245 H ASN 30 H ASN 30 -14.852 -17.596 -12.187 246 HA ASN 30 HA ASN 30 -17.224 -17.810 -13.891 247 HB2 ASN 30 HB2 ASN 30 -15.895 -19.815 -12.057 248 HB3 ASN 30 HB3 ASN 30 -17.364 -20.132 -12.975 249 HD21 ASN 30 HD21 ASN 30 -15.527 -21.849 -13.495 250 HD22 ASN 30 HD22 ASN 30 -14.697 -21.537 -14.978 251 H ARG 31 H ARG 31 -16.716 -16.117 -11.341 252 HA ARG 31 HA ARG 31 -19.343 -16.657 -10.190 253 HB2 ARG 31 HB2 ARG 31 -18.572 -16.656 -7.924 254 HB3 ARG 31 HB3 ARG 31 -17.639 -17.860 -8.803 255 HG2 ARG 31 HG2 ARG 31 -16.238 -15.405 -8.961 256 HG3 ARG 31 HG3 ARG 31 -16.711 -15.657 -7.280 257 HD2 ARG 31 HD2 ARG 31 -15.336 -17.732 -8.978 258 HD3 ARG 31 HD3 ARG 31 -14.490 -16.625 -7.897 259 HE ARG 31 HE ARG 31 -16.579 -18.174 -6.646 260 HH11 ARG 31 HH11 ARG 31 -13.204 -18.003 -7.485 261 HH12 ARG 31 HH12 ARG 31 -12.708 -19.122 -6.259 262 HH21 ARG 31 HH21 ARG 31 -15.938 -19.649 -5.027 263 HH22 ARG 31 HH22 ARG 31 -14.264 -20.058 -4.862 264 H ASP 32 H ASP 32 -20.336 -14.857 -9.269 265 HA ASP 32 HA ASP 32 -19.077 -12.300 -9.970 266 HB2 ASP 32 HB2 ASP 32 -21.894 -12.251 -9.140 267 HB3 ASP 32 HB3 ASP 32 -21.120 -11.533 -10.551 268 H SER 33 H SER 33 -19.284 -14.214 -7.367 269 HA SER 33 HA SER 33 -19.940 -12.155 -5.415 270 HB2 SER 33 HB2 SER 33 -20.456 -14.785 -5.368 271 HB3 SER 33 HB3 SER 33 -18.894 -14.802 -4.549 272 HG SER 33 HG SER 33 -21.325 -13.921 -3.662 273 H ILE 34 H ILE 34 -17.743 -11.444 -6.886 274 HA ILE 34 HA ILE 34 -15.336 -12.184 -5.459 275 HB ILE 34 HB ILE 34 -14.163 -10.722 -6.989 276 HG12 ILE 34 HG12 ILE 34 -15.933 -9.807 -8.858 277 HG13 ILE 34 HG13 ILE 34 -16.865 -9.614 -7.377 278 HG21 ILE 34 HG21 ILE 34 -15.766 -11.783 -9.085 279 HG22 ILE 34 HG22 ILE 34 -14.230 -12.380 -8.459 280 HG23 ILE 34 HG23 ILE 34 -15.747 -12.938 -7.753 281 HD11 ILE 34 HD11 ILE 34 -15.838 -7.629 -7.293 282 HD12 ILE 34 HD12 ILE 34 -14.495 -8.558 -6.625 283 HD13 ILE 34 HD13 ILE 34 -14.518 -8.149 -8.340 284 HA PRO 35 HA PRO 35 -15.252 -8.926 -2.518 285 HB2 PRO 35 HB2 PRO 35 -12.589 -8.417 -2.367 286 HB3 PRO 35 HB3 PRO 35 -13.328 -9.877 -1.697 287 HG2 PRO 35 HG2 PRO 35 -11.882 -9.507 -4.291 288 HG3 PRO 35 HG3 PRO 35 -11.760 -10.834 -3.122 289 HD2 PRO 35 HD2 PRO 35 -13.221 -11.024 -5.394 290 HD3 PRO 35 HD3 PRO 35 -13.676 -11.857 -3.894 291 H SER 36 H SER 36 -15.737 -6.834 -2.679 292 HA SER 36 HA SER 36 -15.489 -5.336 -5.009 293 HB2 SER 36 HB2 SER 36 -15.592 -3.984 -2.332 294 HB3 SER 36 HB3 SER 36 -16.432 -3.564 -3.824 295 HG SER 36 HG SER 36 -17.977 -4.934 -3.351 296 H GLU 37 H GLU 37 -13.275 -5.763 -2.353 297 HA GLU 37 HA GLU 37 -11.621 -3.563 -2.622 298 HB2 GLU 37 HB2 GLU 37 -10.028 -4.742 -1.398 299 HB3 GLU 37 HB3 GLU 37 -11.535 -5.519 -0.933 300 HG2 GLU 37 HG2 GLU 37 -11.047 -7.242 -2.713 301 HG3 GLU 37 HG3 GLU 37 -9.436 -6.534 -2.824 302 H LEU 38 H LEU 38 -11.866 -6.414 -4.625 303 HA LEU 38 HA LEU 38 -9.439 -6.048 -6.053 304 HB2 LEU 38 HB2 LEU 38 -11.810 -7.760 -6.233 305 HB3 LEU 38 HB3 LEU 38 -11.058 -7.399 -7.786 306 HG LEU 38 HG LEU 38 -9.044 -8.459 -7.172 307 HD11 LEU 38 HD11 LEU 38 -8.800 -7.555 -4.939 308 HD12 LEU 38 HD12 LEU 38 -8.612 -9.308 -4.908 309 HD13 LEU 38 HD13 LEU 38 -10.118 -8.573 -4.357 310 HD21 LEU 38 HD21 LEU 38 -10.075 -10.664 -6.038 311 HD22 LEU 38 HD22 LEU 38 -10.281 -10.260 -7.742 312 HD23 LEU 38 HD23 LEU 38 -11.560 -9.886 -6.585 313 H LEU 39 H LEU 39 -12.826 -5.321 -6.886 314 HA LEU 39 HA LEU 39 -12.351 -4.129 -9.358 315 HB2 LEU 39 HB2 LEU 39 -14.510 -3.662 -7.316 316 HB3 LEU 39 HB3 LEU 39 -14.516 -2.908 -8.909 317 HG LEU 39 HG LEU 39 -14.432 -5.893 -8.572 318 HD11 LEU 39 HD11 LEU 39 -16.640 -6.056 -8.208 319 HD12 LEU 39 HD12 LEU 39 -17.016 -4.654 -9.209 320 HD13 LEU 39 HD13 LEU 39 -16.467 -4.429 -7.548 321 HD21 LEU 39 HD21 LEU 39 -14.250 -5.796 -10.783 322 HD22 LEU 39 HD22 LEU 39 -14.450 -4.044 -10.775 323 HD23 LEU 39 HD23 LEU 39 -15.867 -5.094 -10.836 324 H GLU 40 H GLU 40 -12.122 -2.824 -6.113 325 HA GLU 40 HA GLU 40 -11.871 -0.096 -6.930 326 HB2 GLU 40 HB2 GLU 40 -11.096 -1.430 -4.330 327 HB3 GLU 40 HB3 GLU 40 -11.178 0.306 -4.598 328 HG2 GLU 40 HG2 GLU 40 -13.637 -1.092 -5.300 329 HG3 GLU 40 HG3 GLU 40 -13.188 -1.257 -3.603 330 H GLU 41 H GLU 41 -9.550 -2.536 -5.774 331 HA GLU 41 HA GLU 41 -7.252 -0.947 -6.039 332 HB2 GLU 41 HB2 GLU 41 -7.710 -3.372 -4.993 333 HB3 GLU 41 HB3 GLU 41 -7.015 -3.866 -6.530 334 HG2 GLU 41 HG2 GLU 41 -5.211 -3.783 -5.056 335 HG3 GLU 41 HG3 GLU 41 -5.094 -2.294 -5.993 336 H TRP 42 H TRP 42 -8.794 -3.206 -8.293 337 HA TRP 42 HA TRP 42 -6.914 -3.184 -10.326 338 HB2 TRP 42 HB2 TRP 42 -9.927 -3.369 -10.481 339 HB3 TRP 42 HB3 TRP 42 -8.859 -3.659 -11.852 340 HD1 TRP 42 HD1 TRP 42 -6.727 -5.203 -9.689 341 HE1 TRP 42 HE1 TRP 42 -7.256 -7.675 -9.205 342 HE3 TRP 42 HE3 TRP 42 -11.613 -5.295 -11.190 343 HZ2 TRP 42 HZ2 TRP 42 -9.454 -9.431 -9.430 344 HZ3 TRP 42 HZ3 TRP 42 -12.858 -7.411 -11.024 345 HH2 TRP 42 HH2 TRP 42 -11.799 -9.435 -10.162 346 H LYS 43 H LYS 43 -9.682 -0.994 -9.875 347 HA LYS 43 HA LYS 43 -9.071 0.618 -12.136 348 HB2 LYS 43 HB2 LYS 43 -11.324 0.586 -11.302 349 HB3 LYS 43 HB3 LYS 43 -10.798 1.110 -9.708 350 HG2 LYS 43 HG2 LYS 43 -9.914 3.042 -11.578 351 HG3 LYS 43 HG3 LYS 43 -11.609 2.687 -11.923 352 HD2 LYS 43 HD2 LYS 43 -11.903 2.918 -9.348 353 HD3 LYS 43 HD3 LYS 43 -10.369 3.787 -9.431 354 HE2 LYS 43 HE2 LYS 43 -11.372 5.283 -11.138 355 HE3 LYS 43 HE3 LYS 43 -12.913 4.460 -10.905 356 HZ1 LYS 43 HZ1 LYS 43 -12.822 5.131 -8.552 357 HZ2 LYS 43 HZ2 LYS 43 -12.872 6.455 -9.604 358 HZ3 LYS 43 HZ3 LYS 43 -11.414 6.015 -8.868 359 H GLN 44 H GLN 44 -8.178 0.715 -8.749 360 HA GLN 44 HA GLN 44 -7.153 3.340 -8.687 361 HB2 GLN 44 HB2 GLN 44 -6.631 0.886 -7.027 362 HB3 GLN 44 HB3 GLN 44 -5.772 2.392 -6.733 363 HG2 GLN 44 HG2 GLN 44 -7.697 3.508 -6.067 364 HG3 GLN 44 HG3 GLN 44 -8.760 2.326 -6.829 365 HE21 GLN 44 HE21 GLN 44 -5.998 1.837 -4.682 366 HE22 GLN 44 HE22 GLN 44 -6.882 1.031 -3.436 367 H HIS 45 H HIS 45 -5.585 0.211 -9.287 368 HA HIS 45 HA HIS 45 -3.226 1.671 -10.277 369 HB2 HIS 45 HB2 HIS 45 -3.376 -1.184 -9.285 370 HB3 HIS 45 HB3 HIS 45 -1.919 -0.337 -9.797 371 HD1 HIS 45 HD1 HIS 45 -0.613 0.678 -7.962 372 HD2 HIS 45 HD2 HIS 45 -4.604 0.178 -6.923 373 HE1 HIS 45 HE1 HIS 45 -0.776 1.396 -5.558 374 H LYS 46 H LYS 46 -5.556 1.275 -11.861 375 HA LYS 46 HA LYS 46 -5.322 -0.962 -13.576 376 HB2 LYS 46 HB2 LYS 46 -6.794 0.351 -15.099 377 HB3 LYS 46 HB3 LYS 46 -7.407 0.234 -13.455 378 HG2 LYS 46 HG2 LYS 46 -7.708 2.437 -13.618 379 HG3 LYS 46 HG3 LYS 46 -5.966 2.547 -13.351 380 HD2 LYS 46 HD2 LYS 46 -5.517 2.845 -15.621 381 HD3 LYS 46 HD3 LYS 46 -7.084 2.199 -16.111 382 HE2 LYS 46 HE2 LYS 46 -8.213 4.157 -15.362 383 HE3 LYS 46 HE3 LYS 46 -6.763 4.761 -14.561 384 HZ1 LYS 46 HZ1 LYS 46 -6.322 5.854 -16.421 385 HZ2 LYS 46 HZ2 LYS 46 -7.588 5.101 -17.252 386 HZ3 LYS 46 HZ3 LYS 46 -6.061 4.375 -17.199 387 H GLN 47 H GLN 47 -4.026 2.318 -13.710 388 HA GLN 47 HA GLN 47 -3.054 2.379 -16.294 389 HB2 GLN 47 HB2 GLN 47 -3.018 4.245 -14.590 390 HB3 GLN 47 HB3 GLN 47 -1.583 3.494 -13.905 391 HG2 GLN 47 HG2 GLN 47 -1.219 5.409 -15.516 392 HG3 GLN 47 HG3 GLN 47 -0.303 3.933 -15.813 393 HE21 GLN 47 HE21 GLN 47 -0.897 2.598 -17.551 394 HE22 GLN 47 HE22 GLN 47 -1.836 3.201 -18.870 395 H GLU 48 H GLU 48 -1.201 1.419 -13.397 396 HA GLU 48 HA GLU 48 0.981 0.399 -14.907 397 HB2 GLU 48 HB2 GLU 48 1.577 -0.683 -12.654 398 HB3 GLU 48 HB3 GLU 48 1.533 1.073 -12.734 399 HG2 GLU 48 HG2 GLU 48 -1.050 0.055 -12.017 400 HG3 GLU 48 HG3 GLU 48 0.185 -0.598 -10.943 401 H LEU 49 H LEU 49 -1.851 -1.064 -13.396 402 HA LEU 49 HA LEU 49 -1.196 -3.748 -13.637 403 HB2 LEU 49 HB2 LEU 49 -3.734 -2.209 -13.557 404 HB3 LEU 49 HB3 LEU 49 -3.815 -3.898 -14.053 405 HG LEU 49 HG LEU 49 -2.486 -3.097 -11.485 406 HD11 LEU 49 HD11 LEU 49 -5.071 -2.429 -11.961 407 HD12 LEU 49 HD12 LEU 49 -4.415 -2.829 -10.374 408 HD13 LEU 49 HD13 LEU 49 -5.251 -4.062 -11.319 409 HD21 LEU 49 HD21 LEU 49 -3.477 -5.450 -10.961 410 HD22 LEU 49 HD22 LEU 49 -1.999 -5.309 -11.913 411 HD23 LEU 49 HD23 LEU 49 -3.542 -5.604 -12.717 412 H ILE 50 H ILE 50 -2.653 -1.572 -16.018 413 HA ILE 50 HA ILE 50 -3.043 -3.561 -18.009 414 HB ILE 50 HB ILE 50 -2.878 -0.556 -18.203 415 HG12 ILE 50 HG12 ILE 50 -5.261 -2.388 -18.502 416 HG13 ILE 50 HG13 ILE 50 -4.806 -1.639 -16.975 417 HG21 ILE 50 HG21 ILE 50 -2.387 -1.006 -20.370 418 HG22 ILE 50 HG22 ILE 50 -3.078 -2.626 -20.305 419 HG23 ILE 50 HG23 ILE 50 -4.135 -1.224 -20.462 420 HD11 ILE 50 HD11 ILE 50 -6.042 -0.455 -19.379 421 HD12 ILE 50 HD12 ILE 50 -6.307 -0.106 -17.671 422 HD13 ILE 50 HD13 ILE 50 -4.890 0.544 -18.494 423 H ASP 51 H ASP 51 -0.447 -1.271 -17.318 424 HA ASP 51 HA ASP 51 1.066 -1.791 -19.656 425 HB2 ASP 51 HB2 ASP 51 1.266 0.178 -18.001 426 HB3 ASP 51 HB3 ASP 51 2.263 -0.909 -17.039 427 H PHE 52 H PHE 52 1.037 -3.207 -16.428 428 HA PHE 52 HA PHE 52 3.313 -4.888 -16.921 429 HB2 PHE 52 HB2 PHE 52 2.931 -4.258 -14.653 430 HB3 PHE 52 HB3 PHE 52 1.257 -4.799 -14.714 431 HD1 PHE 52 HD1 PHE 52 4.764 -5.978 -14.785 432 HD2 PHE 52 HD2 PHE 52 0.680 -6.999 -14.162 433 HE1 PHE 52 HE1 PHE 52 5.450 -8.176 -13.919 434 HE2 PHE 52 HE2 PHE 52 1.359 -9.199 -13.294 435 HZ PHE 52 HZ PHE 52 3.746 -9.790 -13.170 436 H LEU 53 H LEU 53 -0.173 -5.206 -17.113 437 HA LEU 53 HA LEU 53 -0.123 -8.051 -17.515 438 HB2 LEU 53 HB2 LEU 53 -2.223 -5.926 -17.663 439 HB3 LEU 53 HB3 LEU 53 -2.548 -7.540 -18.292 440 HG LEU 53 HG LEU 53 -1.679 -7.023 -15.454 441 HD11 LEU 53 HD11 LEU 53 -4.331 -6.781 -16.733 442 HD12 LEU 53 HD12 LEU 53 -3.687 -6.001 -15.288 443 HD13 LEU 53 HD13 LEU 53 -4.266 -7.664 -15.207 444 HD21 LEU 53 HD21 LEU 53 -3.228 -9.323 -15.648 445 HD22 LEU 53 HD22 LEU 53 -1.478 -9.238 -15.449 446 HD23 LEU 53 HD23 LEU 53 -2.177 -9.371 -17.063 447 H THR 54 H THR 54 -0.251 -5.187 -19.545 448 HA THR 54 HA THR 54 -0.755 -6.618 -21.974 449 HB THR 54 HB THR 54 -1.300 -4.174 -21.573 450 HG1 THR 54 HG1 THR 54 -0.876 -5.404 -23.725 451 HG21 THR 54 HG21 THR 54 0.324 -2.539 -21.606 452 HG22 THR 54 HG22 THR 54 1.490 -3.563 -22.444 453 HG23 THR 54 HG23 THR 54 1.162 -3.819 -20.731 454 H GLN 55 H GLN 55 2.100 -5.450 -20.288 455 HA GLN 55 HA GLN 55 3.931 -5.912 -22.409 456 HB2 GLN 55 HB2 GLN 55 5.637 -5.434 -20.855 457 HB3 GLN 55 HB3 GLN 55 4.274 -4.442 -20.355 458 HG2 GLN 55 HG2 GLN 55 4.679 -5.258 -18.323 459 HG3 GLN 55 HG3 GLN 55 3.858 -6.704 -18.906 460 HE21 GLN 55 HE21 GLN 55 4.920 -8.547 -18.770 461 HE22 GLN 55 HE22 GLN 55 6.626 -8.723 -18.562 462 H LEU 56 H LEU 56 2.485 -7.934 -19.997 463 HA LEU 56 HA LEU 56 4.403 -10.081 -20.391 464 HB2 LEU 56 HB2 LEU 56 3.646 -10.910 -18.461 465 HB3 LEU 56 HB3 LEU 56 2.877 -9.336 -18.268 466 HG LEU 56 HG LEU 56 0.874 -10.482 -19.492 467 HD11 LEU 56 HD11 LEU 56 1.122 -12.632 -19.967 468 HD12 LEU 56 HD12 LEU 56 1.251 -12.970 -18.242 469 HD13 LEU 56 HD13 LEU 56 2.705 -12.661 -19.190 470 HD21 LEU 56 HD21 LEU 56 1.184 -11.536 -16.746 471 HD22 LEU 56 HD22 LEU 56 -0.132 -10.608 -17.466 472 HD23 LEU 56 HD23 LEU 56 1.345 -9.792 -16.953 473 H GLU 57 H GLU 57 1.245 -9.125 -21.478 474 HA GLU 57 HA GLU 57 0.248 -11.578 -22.370 475 HB2 GLU 57 HB2 GLU 57 -1.058 -9.468 -22.247 476 HB3 GLU 57 HB3 GLU 57 -0.170 -8.866 -23.639 477 HG2 GLU 57 HG2 GLU 57 -1.490 -9.942 -25.056 478 HG3 GLU 57 HG3 GLU 57 -1.325 -11.457 -24.170 479 H SER 58 H SER 58 2.496 -9.322 -23.858 480 HA SER 58 HA SER 58 2.539 -10.360 -26.448 481 HB2 SER 58 HB2 SER 58 4.729 -9.034 -24.837 482 HB3 SER 58 HB3 SER 58 4.856 -9.386 -26.560 483 HG SER 58 HG SER 58 3.889 -7.547 -26.820 484 H GLU 59 H GLU 59 4.119 -11.446 -23.514 485 HA GLU 59 HA GLU 59 5.818 -13.343 -24.836 486 HB2 GLU 59 HB2 GLU 59 5.796 -12.196 -22.343 487 HB3 GLU 59 HB3 GLU 59 5.225 -13.824 -22.002 488 HG2 GLU 59 HG2 GLU 59 7.292 -14.589 -22.098 489 HG3 GLU 59 HG3 GLU 59 7.447 -14.015 -23.757 490 H GLU 60 H GLU 60 4.296 -14.504 -26.118 491 HA GLU 60 HA GLU 60 2.006 -15.782 -25.303 492 HB2 GLU 60 HB2 GLU 60 2.687 -17.553 -27.062 493 HB3 GLU 60 HB3 GLU 60 2.429 -15.896 -27.589 494 HG2 GLU 60 HG2 GLU 60 4.442 -15.906 -28.491 495 HG3 GLU 60 HG3 GLU 60 5.138 -16.080 -26.881 496 H GLU 61 H GLU 61 5.287 -17.181 -25.310 497 HA GLU 61 HA GLU 61 4.404 -19.470 -23.790 498 HB2 GLU 61 HB2 GLU 61 6.533 -20.361 -24.135 499 HB3 GLU 61 HB3 GLU 61 6.258 -19.404 -25.584 500 HG2 GLU 61 HG2 GLU 61 8.038 -18.811 -23.254 501 HG3 GLU 61 HG3 GLU 61 8.447 -18.916 -24.965 502 H SER 62 H SER 62 4.230 -16.724 -22.642 503 HA SER 62 HA SER 62 6.035 -15.992 -20.784 504 HB2 SER 62 HB2 SER 62 3.853 -15.674 -19.258 505 HB3 SER 62 HB3 SER 62 4.190 -14.645 -20.650 506 HG SER 62 HG SER 62 2.766 -15.843 -21.864 Start of MODEL 3 1 H1 MET 1 H MET 1 1.362 1.542 -1.836 2 HA MET 1 HA MET 1 3.487 0.706 -1.362 3 HB2 MET 1 HB2 MET 1 3.996 -0.711 0.508 4 HB3 MET 1 HB3 MET 1 3.140 0.720 1.068 5 HG2 MET 1 HG2 MET 1 1.045 -0.612 1.242 6 HG3 MET 1 HG3 MET 1 1.923 -2.056 0.759 7 HE1 MET 1 HE1 MET 1 0.629 -2.935 3.146 8 HE2 MET 1 HE2 MET 1 0.918 -2.105 4.694 9 HE3 MET 1 HE3 MET 1 0.110 -1.248 3.366 10 H LYS 2 H LYS 2 1.272 -0.170 -3.250 11 HA LYS 2 HA LYS 2 2.278 -2.938 -3.594 12 HB2 LYS 2 HB2 LYS 2 0.137 -3.802 -4.173 13 HB3 LYS 2 HB3 LYS 2 0.126 -3.188 -2.527 14 HG2 LYS 2 HG2 LYS 2 -0.847 -0.991 -3.811 15 HG3 LYS 2 HG3 LYS 2 -1.385 -2.223 -4.941 16 HD2 LYS 2 HD2 LYS 2 -1.989 -2.167 -1.941 17 HD3 LYS 2 HD3 LYS 2 -3.057 -1.578 -3.208 18 HE2 LYS 2 HE2 LYS 2 -3.109 -3.926 -4.165 19 HE3 LYS 2 HE3 LYS 2 -2.163 -4.456 -2.764 20 HZ1 LYS 2 HZ1 LYS 2 -4.548 -4.820 -2.421 21 HZ2 LYS 2 HZ2 LYS 2 -4.853 -3.205 -2.617 22 HZ3 LYS 2 HZ3 LYS 2 -3.989 -3.715 -1.353 23 H ASN 3 H ASN 3 1.843 -3.758 -5.711 24 HA ASN 3 HA ASN 3 2.101 -1.763 -7.867 25 HB2 ASN 3 HB2 ASN 3 3.923 -3.189 -8.781 26 HB3 ASN 3 HB3 ASN 3 4.328 -2.529 -7.204 27 HD21 ASN 3 HD21 ASN 3 4.422 -5.476 -8.871 28 HD22 ASN 3 HD22 ASN 3 4.139 -6.499 -7.439 29 H ALA 4 H ALA 4 1.803 -2.822 -9.998 30 HA ALA 4 HA ALA 4 -0.602 -4.002 -10.377 31 HB1 ALA 4 HB1 ALA 4 1.908 -4.331 -12.075 32 HB2 ALA 4 HB2 ALA 4 0.299 -4.749 -12.614 33 HB3 ALA 4 HB3 ALA 4 0.673 -3.063 -12.220 34 H ALA 5 H ALA 5 2.450 -5.950 -10.259 35 HA ALA 5 HA ALA 5 1.082 -8.409 -10.641 36 HB1 ALA 5 HB1 ALA 5 3.690 -7.993 -9.133 37 HB2 ALA 5 HB2 ALA 5 3.119 -9.491 -9.878 38 HB3 ALA 5 HB3 ALA 5 3.548 -8.104 -10.908 39 H LYS 6 H LYS 6 1.687 -6.479 -7.673 40 HA LYS 6 HA LYS 6 1.255 -8.513 -5.762 41 HB2 LYS 6 HB2 LYS 6 1.723 -5.770 -5.803 42 HB3 LYS 6 HB3 LYS 6 0.157 -5.862 -5.024 43 HG2 LYS 6 HG2 LYS 6 2.531 -7.540 -4.081 44 HG3 LYS 6 HG3 LYS 6 2.368 -5.846 -3.660 45 HD2 LYS 6 HD2 LYS 6 1.530 -6.944 -1.827 46 HD3 LYS 6 HD3 LYS 6 0.101 -6.340 -2.652 47 HE2 LYS 6 HE2 LYS 6 -0.391 -8.587 -3.519 48 HE3 LYS 6 HE3 LYS 6 1.173 -9.190 -2.920 49 HZ1 LYS 6 HZ1 LYS 6 -0.487 -9.831 -1.384 50 HZ2 LYS 6 HZ2 LYS 6 -1.129 -8.318 -1.289 51 HZ3 LYS 6 HZ3 LYS 6 0.339 -8.607 -0.653 52 H ILE 7 H ILE 7 -1.112 -6.244 -7.186 53 HA ILE 7 HA ILE 7 -3.380 -7.520 -5.893 54 HB ILE 7 HB ILE 7 -3.802 -5.976 -8.337 55 HG12 ILE 7 HG12 ILE 7 -3.787 -3.877 -6.629 56 HG13 ILE 7 HG13 ILE 7 -2.355 -4.753 -6.072 57 HG21 ILE 7 HG21 ILE 7 -5.702 -6.865 -7.011 58 HG22 ILE 7 HG22 ILE 7 -5.203 -5.822 -5.661 59 HG23 ILE 7 HG23 ILE 7 -5.720 -5.111 -7.219 60 HD11 ILE 7 HD11 ILE 7 -3.074 -3.931 -8.904 61 HD12 ILE 7 HD12 ILE 7 -1.773 -3.211 -7.910 62 HD13 ILE 7 HD13 ILE 7 -1.685 -4.897 -8.506 63 H VAL 8 H VAL 8 -1.741 -8.095 -8.989 64 HA VAL 8 HA VAL 8 -3.783 -9.686 -10.165 65 HB VAL 8 HB VAL 8 -0.790 -9.592 -10.471 66 HG11 VAL 8 HG11 VAL 8 -1.405 -11.883 -11.122 67 HG12 VAL 8 HG12 VAL 8 -2.696 -11.259 -12.171 68 HG13 VAL 8 HG13 VAL 8 -0.987 -10.922 -12.526 69 HG21 VAL 8 HG21 VAL 8 -2.968 -8.858 -12.484 70 HG22 VAL 8 HG22 VAL 8 -2.326 -7.695 -11.315 71 HG23 VAL 8 HG23 VAL 8 -1.257 -8.409 -12.526 72 H ASN 9 H ASN 9 -0.986 -10.608 -8.199 73 HA ASN 9 HA ASN 9 -1.435 -13.358 -8.177 74 HB2 ASN 9 HB2 ASN 9 0.397 -13.321 -6.944 75 HB3 ASN 9 HB3 ASN 9 0.337 -11.567 -6.933 76 HD21 ASN 9 HD21 ASN 9 -0.315 -10.491 -5.015 77 HD22 ASN 9 HD22 ASN 9 -0.314 -11.389 -3.479 78 H GLU 10 H GLU 10 -3.001 -10.879 -6.212 79 HA GLU 10 HA GLU 10 -4.292 -12.756 -4.425 80 HB2 GLU 10 HB2 GLU 10 -4.883 -9.824 -5.053 81 HB3 GLU 10 HB3 GLU 10 -5.665 -10.775 -3.769 82 HG2 GLU 10 HG2 GLU 10 -3.399 -11.290 -2.830 83 HG3 GLU 10 HG3 GLU 10 -2.685 -10.199 -4.010 84 H ALA 11 H ALA 11 -5.215 -11.093 -7.478 85 HA ALA 11 HA ALA 11 -7.925 -11.858 -7.510 86 HB1 ALA 11 HB1 ALA 11 -6.825 -10.223 -9.065 87 HB2 ALA 11 HB2 ALA 11 -6.056 -11.593 -9.907 88 HB3 ALA 11 HB3 ALA 11 -7.809 -11.435 -9.913 89 H LEU 12 H LEU 12 -5.089 -13.494 -8.950 90 HA LEU 12 HA LEU 12 -6.345 -15.751 -9.975 91 HB2 LEU 12 HB2 LEU 12 -3.673 -15.763 -8.559 92 HB3 LEU 12 HB3 LEU 12 -4.240 -16.928 -9.739 93 HG LEU 12 HG LEU 12 -3.424 -14.041 -10.190 94 HD11 LEU 12 HD11 LEU 12 -2.382 -16.641 -11.358 95 HD12 LEU 12 HD12 LEU 12 -1.683 -15.765 -9.986 96 HD13 LEU 12 HD13 LEU 12 -1.720 -15.009 -11.589 97 HD21 LEU 12 HD21 LEU 12 -4.761 -15.922 -12.177 98 HD22 LEU 12 HD22 LEU 12 -3.816 -14.488 -12.648 99 HD23 LEU 12 HD23 LEU 12 -5.273 -14.290 -11.688 100 H ASN 13 H ASN 13 -5.067 -15.355 -6.687 101 HA ASN 13 HA ASN 13 -5.740 -17.972 -5.746 102 HB2 ASN 13 HB2 ASN 13 -5.265 -15.329 -4.304 103 HB3 ASN 13 HB3 ASN 13 -5.742 -16.791 -3.462 104 HD21 ASN 13 HD21 ASN 13 -2.985 -15.132 -4.736 105 HD22 ASN 13 HD22 ASN 13 -1.853 -16.393 -4.326 106 H GLN 14 H GLN 14 -7.621 -14.937 -5.842 107 HA GLN 14 HA GLN 14 -9.890 -16.136 -4.453 108 HB2 GLN 14 HB2 GLN 14 -9.243 -13.448 -5.640 109 HB3 GLN 14 HB3 GLN 14 -10.939 -13.904 -5.518 110 HG2 GLN 14 HG2 GLN 14 -10.484 -12.775 -3.533 111 HG3 GLN 14 HG3 GLN 14 -10.611 -14.485 -3.105 112 HE21 GLN 14 HE21 GLN 14 -8.411 -11.776 -3.559 113 HE22 GLN 14 HE22 GLN 14 -7.036 -12.479 -2.744 114 H GLY 15 H GLY 15 -8.679 -16.879 -7.402 115 HA2 GLY 15 HA2 GLY 15 -9.579 -18.210 -9.005 116 HA3 GLY 15 HA3 GLY 15 -11.199 -17.970 -8.336 117 H ILE 16 H ILE 16 -8.907 -15.352 -9.326 118 HA ILE 16 HA ILE 16 -10.756 -14.733 -11.574 119 HB ILE 16 HB ILE 16 -9.533 -12.916 -9.485 120 HG12 ILE 16 HG12 ILE 16 -12.501 -13.011 -9.891 121 HG13 ILE 16 HG13 ILE 16 -11.808 -14.376 -9.068 122 HG21 ILE 16 HG21 ILE 16 -10.657 -11.072 -10.458 123 HG22 ILE 16 HG22 ILE 16 -9.586 -11.764 -11.664 124 HG23 ILE 16 HG23 ILE 16 -11.340 -12.063 -11.756 125 HD11 ILE 16 HD11 ILE 16 -11.769 -11.531 -8.182 126 HD12 ILE 16 HD12 ILE 16 -12.348 -12.972 -7.329 127 HD13 ILE 16 HD13 ILE 16 -10.605 -12.725 -7.522 128 H THR 17 H THR 17 -9.753 -14.447 -13.458 129 HA THR 17 HA THR 17 -6.790 -14.165 -13.539 130 HB THR 17 HB THR 17 -8.883 -15.192 -15.502 131 HG1 THR 17 HG1 THR 17 -6.336 -16.210 -14.687 132 HG21 THR 17 HG21 THR 17 -7.079 -15.423 -17.162 133 HG22 THR 17 HG22 THR 17 -6.021 -14.415 -16.142 134 HG23 THR 17 HG23 THR 17 -7.500 -13.742 -16.853 135 H LEU 18 H LEU 18 -5.953 -12.197 -13.988 136 HA LEU 18 HA LEU 18 -7.800 -10.077 -14.970 137 HB2 LEU 18 HB2 LEU 18 -5.067 -10.050 -13.653 138 HB3 LEU 18 HB3 LEU 18 -5.788 -8.620 -14.419 139 HG LEU 18 HG LEU 18 -7.382 -10.183 -12.366 140 HD11 LEU 18 HD11 LEU 18 -5.115 -8.222 -11.903 141 HD12 LEU 18 HD12 LEU 18 -5.302 -9.909 -11.366 142 HD13 LEU 18 HD13 LEU 18 -6.312 -8.642 -10.659 143 HD21 LEU 18 HD21 LEU 18 -7.393 -7.197 -12.608 144 HD22 LEU 18 HD22 LEU 18 -8.716 -8.350 -12.309 145 HD23 LEU 18 HD23 LEU 18 -8.125 -8.121 -13.927 146 H PHE 19 H PHE 19 -7.556 -9.255 -17.001 147 HA PHE 19 HA PHE 19 -5.132 -9.707 -18.547 148 HB2 PHE 19 HB2 PHE 19 -6.074 -10.918 -20.264 149 HB3 PHE 19 HB3 PHE 19 -6.756 -11.764 -18.858 150 HD1 PHE 19 HD1 PHE 19 -7.481 -9.741 -21.865 151 HD2 PHE 19 HD2 PHE 19 -9.188 -11.261 -18.197 152 HE1 PHE 19 HE1 PHE 19 -9.722 -9.505 -22.818 153 HE2 PHE 19 HE2 PHE 19 -11.462 -10.760 -19.098 154 HZ PHE 19 HZ PHE 19 -11.722 -9.901 -21.418 155 H VAL 20 H VAL 20 -5.145 -7.998 -20.215 156 HA VAL 20 HA VAL 20 -7.315 -5.935 -19.838 157 HB VAL 20 HB VAL 20 -4.593 -6.057 -20.767 158 HG11 VAL 20 HG11 VAL 20 -5.705 -3.334 -20.542 159 HG12 VAL 20 HG12 VAL 20 -4.306 -3.940 -21.462 160 HG13 VAL 20 HG13 VAL 20 -5.913 -4.262 -22.044 161 HG21 VAL 20 HG21 VAL 20 -4.826 -6.137 -18.291 162 HG22 VAL 20 HG22 VAL 20 -3.609 -5.173 -19.093 163 HG23 VAL 20 HG23 VAL 20 -5.052 -4.384 -18.434 164 H SER 21 H SER 21 -8.315 -5.162 -21.589 165 HA SER 21 HA SER 21 -8.030 -6.426 -24.241 166 HB2 SER 21 HB2 SER 21 -9.897 -7.438 -22.697 167 HB3 SER 21 HB3 SER 21 -10.711 -5.898 -22.894 168 HG SER 21 HG SER 21 -11.365 -7.499 -24.364 169 H ASP 22 H ASP 22 -8.032 -4.746 -25.731 170 HA ASP 22 HA ASP 22 -8.016 -2.677 -26.575 171 HB2 ASP 22 HB2 ASP 22 -10.431 -1.956 -24.874 172 HB3 ASP 22 HB3 ASP 22 -10.041 -1.413 -26.500 173 H ASN 23 H ASN 23 -6.289 -2.990 -24.438 174 HA ASN 23 HA ASN 23 -4.949 -1.748 -23.058 175 HB2 ASN 23 HB2 ASN 23 -5.549 -0.099 -25.202 176 HB3 ASN 23 HB3 ASN 23 -6.057 0.905 -23.890 177 HD21 ASN 23 HD21 ASN 23 -3.367 -1.371 -24.539 178 HD22 ASN 23 HD22 ASN 23 -2.064 -0.270 -24.198 179 H LYS 24 H LYS 24 -7.645 -2.569 -22.102 180 HA LYS 24 HA LYS 24 -7.823 -0.648 -19.875 181 HB2 LYS 24 HB2 LYS 24 -9.633 -0.148 -21.409 182 HB3 LYS 24 HB3 LYS 24 -10.092 -1.855 -21.498 183 HG2 LYS 24 HG2 LYS 24 -11.614 -0.730 -19.964 184 HG3 LYS 24 HG3 LYS 24 -10.686 -1.944 -19.128 185 HD2 LYS 24 HD2 LYS 24 -9.213 -0.142 -18.162 186 HD3 LYS 24 HD3 LYS 24 -10.138 1.052 -19.079 187 HE2 LYS 24 HE2 LYS 24 -10.992 1.078 -16.862 188 HE3 LYS 24 HE3 LYS 24 -12.203 0.311 -17.880 189 HZ1 LYS 24 HZ1 LYS 24 -12.037 -0.929 -15.922 190 HZ2 LYS 24 HZ2 LYS 24 -10.407 -0.964 -15.912 191 HZ3 LYS 24 HZ3 LYS 24 -11.253 -1.870 -17.012 192 H LEU 25 H LEU 25 -7.658 -1.693 -18.029 193 HA LEU 25 HA LEU 25 -7.017 -4.427 -17.841 194 HB2 LEU 25 HB2 LEU 25 -6.351 -2.834 -16.137 195 HB3 LEU 25 HB3 LEU 25 -8.029 -2.429 -15.817 196 HG LEU 25 HG LEU 25 -8.447 -4.739 -14.945 197 HD11 LEU 25 HD11 LEU 25 -6.381 -6.135 -14.478 198 HD12 LEU 25 HD12 LEU 25 -5.499 -5.066 -15.593 199 HD13 LEU 25 HD13 LEU 25 -6.842 -6.084 -16.178 200 HD21 LEU 25 HD21 LEU 25 -6.060 -3.312 -13.750 201 HD22 LEU 25 HD22 LEU 25 -7.155 -4.460 -12.921 202 HD23 LEU 25 HD23 LEU 25 -7.753 -2.893 -13.511 203 H LYS 26 H LYS 26 -8.210 -6.108 -18.197 204 HA LYS 26 HA LYS 26 -11.137 -5.924 -17.420 205 HB2 LYS 26 HB2 LYS 26 -9.804 -6.983 -19.851 206 HB3 LYS 26 HB3 LYS 26 -10.810 -8.168 -19.037 207 HG2 LYS 26 HG2 LYS 26 -12.140 -7.050 -20.641 208 HG3 LYS 26 HG3 LYS 26 -12.690 -6.617 -19.010 209 HD2 LYS 26 HD2 LYS 26 -11.535 -4.402 -19.241 210 HD3 LYS 26 HD3 LYS 26 -10.824 -4.937 -20.768 211 HE2 LYS 26 HE2 LYS 26 -12.634 -3.577 -21.419 212 HE3 LYS 26 HE3 LYS 26 -13.171 -5.238 -21.664 213 HZ1 LYS 26 HZ1 LYS 26 -13.923 -3.442 -19.449 214 HZ2 LYS 26 HZ2 LYS 26 -14.268 -5.024 -19.418 215 HZ3 LYS 26 HZ3 LYS 26 -14.913 -4.099 -20.623 216 H TYR 27 H TYR 27 -11.955 -8.300 -16.840 217 HA TYR 27 HA TYR 27 -9.990 -9.860 -15.376 218 HB2 TYR 27 HB2 TYR 27 -10.859 -9.467 -13.123 219 HB3 TYR 27 HB3 TYR 27 -10.800 -7.898 -13.859 220 HD1 TYR 27 HD1 TYR 27 -12.871 -6.667 -14.386 221 HD2 TYR 27 HD2 TYR 27 -12.970 -10.686 -12.851 222 HE1 TYR 27 HE1 TYR 27 -15.270 -6.401 -13.873 223 HE2 TYR 27 HE2 TYR 27 -15.409 -10.442 -12.348 224 HH TYR 27 HH TYR 27 -17.139 -8.932 -12.116 225 H LYS 28 H LYS 28 -10.753 -11.998 -15.000 226 HA LYS 28 HA LYS 28 -13.478 -12.715 -15.992 227 HB2 LYS 28 HB2 LYS 28 -10.785 -13.956 -16.734 228 HB3 LYS 28 HB3 LYS 28 -12.271 -14.894 -16.760 229 HG2 LYS 28 HG2 LYS 28 -12.893 -12.496 -18.155 230 HG3 LYS 28 HG3 LYS 28 -11.280 -12.983 -18.692 231 HD2 LYS 28 HD2 LYS 28 -13.608 -14.946 -18.634 232 HD3 LYS 28 HD3 LYS 28 -13.338 -13.854 -19.991 233 HE2 LYS 28 HE2 LYS 28 -10.935 -14.706 -20.097 234 HE3 LYS 28 HE3 LYS 28 -11.382 -15.928 -18.925 235 HZ1 LYS 28 HZ1 LYS 28 -11.548 -16.673 -21.278 236 HZ2 LYS 28 HZ2 LYS 28 -12.773 -15.620 -21.533 237 HZ3 LYS 28 HZ3 LYS 28 -12.930 -16.857 -20.446 238 H THR 29 H THR 29 -14.289 -14.696 -15.012 239 HA THR 29 HA THR 29 -13.001 -16.197 -13.048 240 HB THR 29 HB THR 29 -12.977 -14.260 -11.641 241 HG1 THR 29 HG1 THR 29 -13.885 -15.070 -10.000 242 HG21 THR 29 HG21 THR 29 -14.433 -12.673 -12.597 243 HG22 THR 29 HG22 THR 29 -15.175 -13.061 -11.034 244 HG23 THR 29 HG23 THR 29 -15.827 -13.764 -12.518 245 H ASN 30 H ASN 30 -14.765 -17.532 -11.934 246 HA ASN 30 HA ASN 30 -16.877 -18.205 -13.936 247 HB2 ASN 30 HB2 ASN 30 -16.086 -19.638 -11.345 248 HB3 ASN 30 HB3 ASN 30 -17.246 -20.191 -12.540 249 HD21 ASN 30 HD21 ASN 30 -13.771 -19.526 -12.046 250 HD22 ASN 30 HD22 ASN 30 -13.210 -20.706 -13.219 251 H ARG 31 H ARG 31 -16.343 -16.890 -10.695 252 HA ARG 31 HA ARG 31 -19.252 -16.849 -10.096 253 HB2 ARG 31 HB2 ARG 31 -18.618 -16.442 -7.827 254 HB3 ARG 31 HB3 ARG 31 -17.715 -17.810 -8.436 255 HG2 ARG 31 HG2 ARG 31 -16.206 -15.285 -8.765 256 HG3 ARG 31 HG3 ARG 31 -16.722 -15.508 -7.103 257 HD2 ARG 31 HD2 ARG 31 -15.149 -17.553 -8.719 258 HD3 ARG 31 HD3 ARG 31 -14.457 -16.396 -7.572 259 HE ARG 31 HE ARG 31 -16.571 -18.299 -6.684 260 HH11 ARG 31 HH11 ARG 31 -13.155 -17.181 -6.187 261 HH12 ARG 31 HH12 ARG 31 -13.116 -18.020 -4.659 262 HH21 ARG 31 HH21 ARG 31 -16.272 -19.455 -4.789 263 HH22 ARG 31 HH22 ARG 31 -14.803 -19.241 -3.884 264 H ASP 32 H ASP 32 -19.963 -14.891 -8.861 265 HA ASP 32 HA ASP 32 -19.065 -12.329 -10.063 266 HB2 ASP 32 HB2 ASP 32 -21.398 -11.653 -9.953 267 HB3 ASP 32 HB3 ASP 32 -21.295 -13.151 -10.880 268 H SER 33 H SER 33 -19.688 -14.182 -7.263 269 HA SER 33 HA SER 33 -20.021 -12.003 -5.398 270 HB2 SER 33 HB2 SER 33 -21.055 -14.247 -5.240 271 HB3 SER 33 HB3 SER 33 -19.456 -14.959 -4.945 272 HG SER 33 HG SER 33 -19.354 -13.456 -3.123 273 H ILE 34 H ILE 34 -17.730 -11.471 -6.819 274 HA ILE 34 HA ILE 34 -15.352 -12.375 -5.336 275 HB ILE 34 HB ILE 34 -14.117 -11.038 -6.980 276 HG12 ILE 34 HG12 ILE 34 -15.646 -10.141 -8.958 277 HG13 ILE 34 HG13 ILE 34 -16.819 -9.881 -7.690 278 HG21 ILE 34 HG21 ILE 34 -14.612 -12.461 -8.838 279 HG22 ILE 34 HG22 ILE 34 -15.016 -13.374 -7.397 280 HG23 ILE 34 HG23 ILE 34 -16.304 -12.634 -8.374 281 HD11 ILE 34 HD11 ILE 34 -15.359 -7.911 -8.245 282 HD12 ILE 34 HD12 ILE 34 -15.306 -8.358 -6.543 283 HD13 ILE 34 HD13 ILE 34 -13.952 -8.787 -7.616 284 HA PRO 35 HA PRO 35 -15.397 -9.033 -2.470 285 HB2 PRO 35 HB2 PRO 35 -12.811 -8.416 -1.979 286 HB3 PRO 35 HB3 PRO 35 -13.499 -10.008 -1.555 287 HG2 PRO 35 HG2 PRO 35 -11.893 -9.292 -3.997 288 HG3 PRO 35 HG3 PRO 35 -11.645 -10.678 -2.902 289 HD2 PRO 35 HD2 PRO 35 -13.019 -10.861 -5.248 290 HD3 PRO 35 HD3 PRO 35 -13.484 -11.819 -3.827 291 H SER 36 H SER 36 -16.008 -6.947 -2.847 292 HA SER 36 HA SER 36 -15.441 -5.652 -5.305 293 HB2 SER 36 HB2 SER 36 -16.464 -4.518 -2.687 294 HB3 SER 36 HB3 SER 36 -16.368 -3.602 -4.205 295 HG SER 36 HG SER 36 -17.932 -4.670 -5.045 296 H GLU 37 H GLU 37 -13.305 -5.930 -2.568 297 HA GLU 37 HA GLU 37 -11.915 -3.468 -2.844 298 HB2 GLU 37 HB2 GLU 37 -10.217 -4.384 -1.534 299 HB3 GLU 37 HB3 GLU 37 -11.677 -5.207 -0.972 300 HG2 GLU 37 HG2 GLU 37 -11.005 -7.195 -2.368 301 HG3 GLU 37 HG3 GLU 37 -9.559 -6.316 -2.881 302 H LEU 38 H LEU 38 -11.892 -6.437 -4.779 303 HA LEU 38 HA LEU 38 -9.426 -5.894 -6.175 304 HB2 LEU 38 HB2 LEU 38 -11.705 -7.816 -6.389 305 HB3 LEU 38 HB3 LEU 38 -10.882 -7.499 -7.898 306 HG LEU 38 HG LEU 38 -8.782 -8.286 -7.075 307 HD11 LEU 38 HD11 LEU 38 -8.644 -7.368 -4.781 308 HD12 LEU 38 HD12 LEU 38 -8.389 -9.109 -4.755 309 HD13 LEU 38 HD13 LEU 38 -9.948 -8.447 -4.256 310 HD21 LEU 38 HD21 LEU 38 -9.339 -10.584 -6.316 311 HD22 LEU 38 HD22 LEU 38 -10.385 -10.017 -7.628 312 HD23 LEU 38 HD23 LEU 38 -10.989 -10.058 -5.952 313 H LEU 39 H LEU 39 -12.859 -5.198 -6.885 314 HA LEU 39 HA LEU 39 -12.317 -3.977 -9.413 315 HB2 LEU 39 HB2 LEU 39 -14.586 -3.581 -7.433 316 HB3 LEU 39 HB3 LEU 39 -14.580 -2.839 -9.028 317 HG LEU 39 HG LEU 39 -14.255 -5.853 -8.699 318 HD11 LEU 39 HD11 LEU 39 -16.814 -4.260 -8.992 319 HD12 LEU 39 HD12 LEU 39 -16.311 -5.169 -7.555 320 HD13 LEU 39 HD13 LEU 39 -16.695 -6.038 -9.050 321 HD21 LEU 39 HD21 LEU 39 -13.704 -4.796 -10.927 322 HD22 LEU 39 HD22 LEU 39 -15.357 -4.179 -11.008 323 HD23 LEU 39 HD23 LEU 39 -15.037 -5.944 -10.986 324 H GLU 40 H GLU 40 -12.124 -2.796 -6.165 325 HA GLU 40 HA GLU 40 -11.967 0.036 -6.793 326 HB2 GLU 40 HB2 GLU 40 -11.090 -1.562 -4.350 327 HB3 GLU 40 HB3 GLU 40 -11.065 0.194 -4.447 328 HG2 GLU 40 HG2 GLU 40 -13.615 -1.400 -4.900 329 HG3 GLU 40 HG3 GLU 40 -13.034 -0.936 -3.308 330 H GLU 41 H GLU 41 -9.492 -2.317 -5.624 331 HA GLU 41 HA GLU 41 -7.327 -0.630 -6.091 332 HB2 GLU 41 HB2 GLU 41 -7.604 -2.925 -4.785 333 HB3 GLU 41 HB3 GLU 41 -7.051 -3.618 -6.297 334 HG2 GLU 41 HG2 GLU 41 -5.126 -3.256 -4.933 335 HG3 GLU 41 HG3 GLU 41 -5.059 -1.990 -6.171 336 H TRP 42 H TRP 42 -8.902 -2.937 -8.294 337 HA TRP 42 HA TRP 42 -6.953 -2.913 -10.330 338 HB2 TRP 42 HB2 TRP 42 -9.964 -3.232 -10.403 339 HB3 TRP 42 HB3 TRP 42 -8.971 -3.398 -11.817 340 HD1 TRP 42 HD1 TRP 42 -6.742 -5.001 -9.633 341 HE1 TRP 42 HE1 TRP 42 -7.134 -7.467 -9.326 342 HE3 TRP 42 HE3 TRP 42 -11.528 -5.150 -11.316 343 HZ2 TRP 42 HZ2 TRP 42 -9.420 -9.327 -9.625 344 HZ3 TRP 42 HZ3 TRP 42 -12.859 -7.254 -11.174 345 HH2 TRP 42 HH2 TRP 42 -11.795 -9.315 -10.341 346 H LYS 43 H LYS 43 -9.537 -0.616 -9.627 347 HA LYS 43 HA LYS 43 -9.074 0.932 -12.139 348 HB2 LYS 43 HB2 LYS 43 -11.321 0.637 -11.247 349 HB3 LYS 43 HB3 LYS 43 -10.880 1.361 -9.709 350 HG2 LYS 43 HG2 LYS 43 -10.408 3.003 -12.209 351 HG3 LYS 43 HG3 LYS 43 -12.079 2.685 -11.746 352 HD2 LYS 43 HD2 LYS 43 -11.671 3.549 -9.484 353 HD3 LYS 43 HD3 LYS 43 -10.009 3.981 -9.910 354 HE2 LYS 43 HE2 LYS 43 -12.502 5.007 -11.337 355 HE3 LYS 43 HE3 LYS 43 -11.736 5.849 -9.984 356 HZ1 LYS 43 HZ1 LYS 43 -10.343 5.253 -12.533 357 HZ2 LYS 43 HZ2 LYS 43 -9.805 6.237 -11.304 358 HZ3 LYS 43 HZ3 LYS 43 -11.125 6.621 -12.209 359 H GLN 44 H GLN 44 -8.034 0.958 -8.767 360 HA GLN 44 HA GLN 44 -6.997 3.637 -8.756 361 HB2 GLN 44 HB2 GLN 44 -6.462 1.179 -7.042 362 HB3 GLN 44 HB3 GLN 44 -5.695 2.730 -6.756 363 HG2 GLN 44 HG2 GLN 44 -7.795 3.815 -6.326 364 HG3 GLN 44 HG3 GLN 44 -8.696 2.437 -6.889 365 HE21 GLN 44 HE21 GLN 44 -6.237 3.273 -4.351 366 HE22 GLN 44 HE22 GLN 44 -7.027 2.282 -3.121 367 H HIS 45 H HIS 45 -5.399 0.407 -9.059 368 HA HIS 45 HA HIS 45 -2.955 1.635 -10.129 369 HB2 HIS 45 HB2 HIS 45 -3.696 -1.179 -9.215 370 HB3 HIS 45 HB3 HIS 45 -2.133 -0.758 -9.860 371 HD1 HIS 45 HD1 HIS 45 -0.321 0.020 -8.212 372 HD2 HIS 45 HD2 HIS 45 -4.285 0.317 -6.753 373 HE1 HIS 45 HE1 HIS 45 -0.144 0.882 -5.862 374 H LYS 46 H LYS 46 -5.540 1.407 -11.748 375 HA LYS 46 HA LYS 46 -5.391 -0.723 -13.572 376 HB2 LYS 46 HB2 LYS 46 -6.859 0.488 -15.046 377 HB3 LYS 46 HB3 LYS 46 -7.366 0.678 -13.388 378 HG2 LYS 46 HG2 LYS 46 -7.749 2.744 -14.000 379 HG3 LYS 46 HG3 LYS 46 -6.086 2.918 -13.437 380 HD2 LYS 46 HD2 LYS 46 -5.421 2.540 -15.946 381 HD3 LYS 46 HD3 LYS 46 -7.139 2.743 -16.305 382 HE2 LYS 46 HE2 LYS 46 -7.187 4.936 -15.508 383 HE3 LYS 46 HE3 LYS 46 -5.757 4.724 -14.506 384 HZ1 LYS 46 HZ1 LYS 46 -5.401 6.032 -16.637 385 HZ2 LYS 46 HZ2 LYS 46 -5.604 4.617 -17.464 386 HZ3 LYS 46 HZ3 LYS 46 -4.359 4.803 -16.431 387 H GLN 47 H GLN 47 -3.717 2.416 -13.685 388 HA GLN 47 HA GLN 47 -2.865 2.169 -16.334 389 HB2 GLN 47 HB2 GLN 47 -2.795 4.225 -14.862 390 HB3 GLN 47 HB3 GLN 47 -1.427 3.517 -14.007 391 HG2 GLN 47 HG2 GLN 47 -0.637 5.117 -15.715 392 HG3 GLN 47 HG3 GLN 47 -0.136 3.493 -16.194 393 HE21 GLN 47 HE21 GLN 47 -1.061 2.574 -18.055 394 HE22 GLN 47 HE22 GLN 47 -2.210 3.360 -19.093 395 H GLU 48 H GLU 48 -1.127 1.297 -13.339 396 HA GLU 48 HA GLU 48 1.103 0.151 -14.809 397 HB2 GLU 48 HB2 GLU 48 1.814 -0.711 -12.576 398 HB3 GLU 48 HB3 GLU 48 1.545 1.028 -12.652 399 HG2 GLU 48 HG2 GLU 48 -0.774 0.633 -11.660 400 HG3 GLU 48 HG3 GLU 48 -0.279 -1.045 -11.382 401 H LEU 49 H LEU 49 -1.920 -1.138 -13.398 402 HA LEU 49 HA LEU 49 -1.265 -3.884 -13.687 403 HB2 LEU 49 HB2 LEU 49 -3.866 -2.339 -13.659 404 HB3 LEU 49 HB3 LEU 49 -3.891 -4.061 -13.979 405 HG LEU 49 HG LEU 49 -2.512 -2.945 -11.503 406 HD11 LEU 49 HD11 LEU 49 -4.545 -3.436 -10.235 407 HD12 LEU 49 HD12 LEU 49 -5.328 -4.091 -11.657 408 HD13 LEU 49 HD13 LEU 49 -4.976 -2.352 -11.552 409 HD21 LEU 49 HD21 LEU 49 -2.784 -5.256 -10.732 410 HD22 LEU 49 HD22 LEU 49 -1.910 -5.270 -12.250 411 HD23 LEU 49 HD23 LEU 49 -3.622 -5.692 -12.258 412 H ILE 50 H ILE 50 -2.633 -1.575 -16.000 413 HA ILE 50 HA ILE 50 -3.038 -3.531 -18.067 414 HB ILE 50 HB ILE 50 -2.778 -0.487 -18.106 415 HG12 ILE 50 HG12 ILE 50 -5.186 -2.233 -18.721 416 HG13 ILE 50 HG13 ILE 50 -4.792 -1.776 -17.079 417 HG21 ILE 50 HG21 ILE 50 -2.032 -1.189 -20.302 418 HG22 ILE 50 HG22 ILE 50 -3.322 -2.379 -20.416 419 HG23 ILE 50 HG23 ILE 50 -3.700 -0.646 -20.475 420 HD11 ILE 50 HD11 ILE 50 -5.446 0.087 -19.341 421 HD12 ILE 50 HD12 ILE 50 -6.455 -0.278 -17.938 422 HD13 ILE 50 HD13 ILE 50 -4.934 0.627 -17.731 423 H ASP 51 H ASP 51 -0.473 -1.109 -17.484 424 HA ASP 51 HA ASP 51 1.214 -1.718 -19.583 425 HB2 ASP 51 HB2 ASP 51 1.224 0.135 -17.779 426 HB3 ASP 51 HB3 ASP 51 2.159 -0.985 -16.792 427 H PHE 52 H PHE 52 1.007 -3.332 -16.446 428 HA PHE 52 HA PHE 52 3.225 -5.146 -16.844 429 HB2 PHE 52 HB2 PHE 52 2.628 -4.385 -14.655 430 HB3 PHE 52 HB3 PHE 52 0.945 -4.882 -14.870 431 HD1 PHE 52 HD1 PHE 52 4.413 -6.350 -14.875 432 HD2 PHE 52 HD2 PHE 52 0.225 -6.966 -14.046 433 HE1 PHE 52 HE1 PHE 52 4.908 -8.577 -13.957 434 HE2 PHE 52 HE2 PHE 52 0.750 -9.239 -13.153 435 HZ PHE 52 HZ PHE 52 3.085 -10.028 -13.083 436 H LEU 53 H LEU 53 -0.357 -5.386 -17.110 437 HA LEU 53 HA LEU 53 -0.232 -8.252 -17.624 438 HB2 LEU 53 HB2 LEU 53 -2.395 -6.201 -17.646 439 HB3 LEU 53 HB3 LEU 53 -2.707 -7.815 -18.245 440 HG LEU 53 HG LEU 53 -1.522 -7.340 -15.443 441 HD11 LEU 53 HD11 LEU 53 -3.617 -6.122 -15.670 442 HD12 LEU 53 HD12 LEU 53 -3.787 -7.500 -14.577 443 HD13 LEU 53 HD13 LEU 53 -4.443 -7.592 -16.242 444 HD21 LEU 53 HD21 LEU 53 -2.576 -9.566 -15.009 445 HD22 LEU 53 HD22 LEU 53 -1.297 -9.624 -16.213 446 HD23 LEU 53 HD23 LEU 53 -2.985 -9.685 -16.739 447 H THR 54 H THR 54 -0.169 -5.425 -19.625 448 HA THR 54 HA THR 54 -0.823 -6.964 -22.032 449 HB THR 54 HB THR 54 -1.507 -4.597 -21.325 450 HG1 THR 54 HG1 THR 54 -1.259 -5.602 -23.727 451 HG21 THR 54 HG21 THR 54 -0.243 -2.713 -21.828 452 HG22 THR 54 HG22 THR 54 0.998 -3.658 -22.691 453 HG23 THR 54 HG23 THR 54 0.826 -3.784 -20.924 454 H GLN 55 H GLN 55 2.110 -5.864 -20.349 455 HA GLN 55 HA GLN 55 3.769 -6.360 -22.689 456 HB2 GLN 55 HB2 GLN 55 5.602 -5.862 -21.270 457 HB3 GLN 55 HB3 GLN 55 4.271 -4.810 -20.815 458 HG2 GLN 55 HG2 GLN 55 4.840 -5.404 -18.692 459 HG3 GLN 55 HG3 GLN 55 3.853 -6.798 -19.047 460 HE21 GLN 55 HE21 GLN 55 4.814 -8.848 -18.807 461 HE22 GLN 55 HE22 GLN 55 6.530 -9.112 -18.790 462 H LEU 56 H LEU 56 2.471 -8.256 -20.002 463 HA LEU 56 HA LEU 56 4.234 -10.520 -20.481 464 HB2 LEU 56 HB2 LEU 56 3.427 -11.357 -18.590 465 HB3 LEU 56 HB3 LEU 56 2.809 -9.732 -18.363 466 HG LEU 56 HG LEU 56 0.585 -10.618 -19.362 467 HD11 LEU 56 HD11 LEU 56 1.888 -13.283 -18.582 468 HD12 LEU 56 HD12 LEU 56 1.374 -12.854 -20.210 469 HD13 LEU 56 HD13 LEU 56 0.166 -13.038 -18.956 470 HD21 LEU 56 HD21 LEU 56 1.566 -11.721 -16.699 471 HD22 LEU 56 HD22 LEU 56 -0.109 -11.372 -17.171 472 HD23 LEU 56 HD23 LEU 56 1.045 -10.042 -16.967 473 H GLU 57 H GLU 57 0.965 -9.554 -21.505 474 HA GLU 57 HA GLU 57 0.174 -11.921 -22.848 475 HB2 GLU 57 HB2 GLU 57 -1.136 -9.803 -22.220 476 HB3 GLU 57 HB3 GLU 57 -0.467 -9.108 -23.681 477 HG2 GLU 57 HG2 GLU 57 -2.497 -9.866 -24.405 478 HG3 GLU 57 HG3 GLU 57 -1.536 -11.259 -24.851 479 H SER 58 H SER 58 2.697 -9.764 -23.595 480 HA SER 58 HA SER 58 2.714 -10.249 -26.486 481 HB2 SER 58 HB2 SER 58 3.130 -8.012 -25.290 482 HB3 SER 58 HB3 SER 58 4.684 -8.701 -24.787 483 HG SER 58 HG SER 58 4.706 -7.429 -26.738 484 H GLU 59 H GLU 59 4.244 -11.439 -23.558 485 HA GLU 59 HA GLU 59 6.378 -12.850 -25.063 486 HB2 GLU 59 HB2 GLU 59 6.252 -11.488 -22.362 487 HB3 GLU 59 HB3 GLU 59 7.429 -12.740 -22.609 488 HG2 GLU 59 HG2 GLU 59 7.200 -10.208 -24.277 489 HG3 GLU 59 HG3 GLU 59 8.387 -10.543 -23.022 490 H GLU 60 H GLU 60 7.248 -14.606 -23.230 491 HA GLU 60 HA GLU 60 5.013 -16.352 -22.394 492 HB2 GLU 60 HB2 GLU 60 7.239 -16.963 -24.362 493 HB3 GLU 60 HB3 GLU 60 6.504 -18.234 -23.405 494 HG2 GLU 60 HG2 GLU 60 4.924 -16.422 -25.251 495 HG3 GLU 60 HG3 GLU 60 5.580 -17.998 -25.702 496 H GLU 61 H GLU 61 6.295 -14.806 -20.632 497 HA GLU 61 HA GLU 61 8.769 -16.159 -19.709 498 HB2 GLU 61 HB2 GLU 61 9.159 -14.522 -18.225 499 HB3 GLU 61 HB3 GLU 61 8.363 -13.632 -19.520 500 HG2 GLU 61 HG2 GLU 61 7.137 -14.501 -16.856 501 HG3 GLU 61 HG3 GLU 61 7.664 -12.884 -17.282 502 H SER 62 H SER 62 5.452 -16.529 -19.380 503 HA SER 62 HA SER 62 5.340 -17.823 -16.768 504 HB2 SER 62 HB2 SER 62 3.382 -17.426 -19.092 505 HB3 SER 62 HB3 SER 62 2.965 -18.248 -17.583 506 HG SER 62 HG SER 62 3.968 -15.539 -17.790 Start of MODEL 4 1 H1 MET 1 H MET 1 2.752 1.139 -2.770 2 HA MET 1 HA MET 1 3.057 -0.154 -0.118 3 HB2 MET 1 HB2 MET 1 0.497 0.779 -1.470 4 HB3 MET 1 HB3 MET 1 0.552 -0.380 -0.149 5 HG2 MET 1 HG2 MET 1 1.491 1.202 1.365 6 HG3 MET 1 HG3 MET 1 1.837 2.362 0.074 7 HE1 MET 1 HE1 MET 1 0.168 2.753 2.972 8 HE2 MET 1 HE2 MET 1 0.720 4.089 1.925 9 HE3 MET 1 HE3 MET 1 -0.983 3.971 2.396 10 H LYS 2 H LYS 2 1.130 -0.625 -3.177 11 HA LYS 2 HA LYS 2 2.301 -3.359 -3.366 12 HB2 LYS 2 HB2 LYS 2 0.139 -4.234 -3.925 13 HB3 LYS 2 HB3 LYS 2 0.085 -3.470 -2.348 14 HG2 LYS 2 HG2 LYS 2 -1.020 -1.466 -3.453 15 HG3 LYS 2 HG3 LYS 2 -0.956 -2.356 -4.988 16 HD2 LYS 2 HD2 LYS 2 -3.135 -2.625 -4.107 17 HD3 LYS 2 HD3 LYS 2 -2.322 -4.189 -3.936 18 HE2 LYS 2 HE2 LYS 2 -1.821 -3.652 -1.559 19 HE3 LYS 2 HE3 LYS 2 -2.697 -2.120 -1.731 20 HZ1 LYS 2 HZ1 LYS 2 -3.863 -4.813 -2.078 21 HZ2 LYS 2 HZ2 LYS 2 -4.696 -3.378 -2.108 22 HZ3 LYS 2 HZ3 LYS 2 -3.980 -3.911 -0.721 23 H ASN 3 H ASN 3 1.559 -4.206 -5.722 24 HA ASN 3 HA ASN 3 1.931 -2.066 -7.684 25 HB2 ASN 3 HB2 ASN 3 3.837 -2.835 -8.629 26 HB3 ASN 3 HB3 ASN 3 4.196 -3.164 -6.945 27 HD21 ASN 3 HD21 ASN 3 3.950 -5.512 -6.214 28 HD22 ASN 3 HD22 ASN 3 3.939 -6.754 -7.428 29 H ALA 4 H ALA 4 1.753 -3.120 -9.991 30 HA ALA 4 HA ALA 4 -0.749 -4.204 -10.346 31 HB1 ALA 4 HB1 ALA 4 1.751 -4.410 -12.118 32 HB2 ALA 4 HB2 ALA 4 0.139 -4.912 -12.637 33 HB3 ALA 4 HB3 ALA 4 0.421 -3.232 -12.228 34 H ALA 5 H ALA 5 2.320 -6.137 -10.315 35 HA ALA 5 HA ALA 5 1.043 -8.632 -10.674 36 HB1 ALA 5 HB1 ALA 5 3.527 -8.335 -10.795 37 HB2 ALA 5 HB2 ALA 5 3.542 -8.097 -9.023 38 HB3 ALA 5 HB3 ALA 5 3.044 -9.654 -9.684 39 H LYS 6 H LYS 6 1.446 -6.690 -7.737 40 HA LYS 6 HA LYS 6 1.056 -8.681 -5.786 41 HB2 LYS 6 HB2 LYS 6 1.709 -6.048 -5.859 42 HB3 LYS 6 HB3 LYS 6 0.033 -5.868 -5.413 43 HG2 LYS 6 HG2 LYS 6 2.125 -7.478 -3.895 44 HG3 LYS 6 HG3 LYS 6 1.692 -5.816 -3.576 45 HD2 LYS 6 HD2 LYS 6 0.283 -6.785 -2.051 46 HD3 LYS 6 HD3 LYS 6 -0.786 -6.735 -3.440 47 HE2 LYS 6 HE2 LYS 6 -0.937 -8.890 -2.357 48 HE3 LYS 6 HE3 LYS 6 -0.240 -9.088 -3.964 49 HZ1 LYS 6 HZ1 LYS 6 1.889 -9.389 -3.029 50 HZ2 LYS 6 HZ2 LYS 6 0.860 -10.319 -2.135 51 HZ3 LYS 6 HZ3 LYS 6 1.380 -8.904 -1.526 52 H ILE 7 H ILE 7 -1.296 -6.371 -7.262 53 HA ILE 7 HA ILE 7 -3.551 -7.604 -5.999 54 HB ILE 7 HB ILE 7 -3.884 -6.085 -8.579 55 HG12 ILE 7 HG12 ILE 7 -4.028 -4.092 -6.638 56 HG13 ILE 7 HG13 ILE 7 -2.634 -4.987 -6.090 57 HG21 ILE 7 HG21 ILE 7 -5.901 -5.258 -7.450 58 HG22 ILE 7 HG22 ILE 7 -5.871 -7.030 -7.449 59 HG23 ILE 7 HG23 ILE 7 -5.460 -6.134 -5.975 60 HD11 ILE 7 HD11 ILE 7 -1.858 -3.316 -7.595 61 HD12 ILE 7 HD12 ILE 7 -1.839 -4.824 -8.540 62 HD13 ILE 7 HD13 ILE 7 -3.164 -3.668 -8.758 63 H VAL 8 H VAL 8 -1.895 -8.198 -9.101 64 HA VAL 8 HA VAL 8 -3.869 -9.934 -10.214 65 HB VAL 8 HB VAL 8 -0.856 -9.808 -10.511 66 HG11 VAL 8 HG11 VAL 8 -1.192 -11.096 -12.660 67 HG12 VAL 8 HG12 VAL 8 -1.466 -12.056 -11.190 68 HG13 VAL 8 HG13 VAL 8 -2.840 -11.447 -12.123 69 HG21 VAL 8 HG21 VAL 8 -2.870 -9.016 -12.637 70 HG22 VAL 8 HG22 VAL 8 -2.405 -7.870 -11.382 71 HG23 VAL 8 HG23 VAL 8 -1.182 -8.528 -12.475 72 H ASN 9 H ASN 9 -0.999 -10.705 -8.212 73 HA ASN 9 HA ASN 9 -1.469 -13.465 -8.045 74 HB2 ASN 9 HB2 ASN 9 0.393 -13.379 -6.865 75 HB3 ASN 9 HB3 ASN 9 0.331 -11.628 -6.861 76 HD21 ASN 9 HD21 ASN 9 -0.674 -10.623 -5.032 77 HD22 ASN 9 HD22 ASN 9 -0.748 -11.459 -3.457 78 H GLU 10 H GLU 10 -2.995 -10.869 -6.148 79 HA GLU 10 HA GLU 10 -4.307 -12.743 -4.372 80 HB2 GLU 10 HB2 GLU 10 -4.862 -9.825 -5.056 81 HB3 GLU 10 HB3 GLU 10 -5.789 -10.765 -3.880 82 HG2 GLU 10 HG2 GLU 10 -3.716 -11.231 -2.598 83 HG3 GLU 10 HG3 GLU 10 -2.793 -10.259 -3.755 84 H ALA 11 H ALA 11 -5.232 -11.090 -7.465 85 HA ALA 11 HA ALA 11 -7.906 -11.984 -7.515 86 HB1 ALA 11 HB1 ALA 11 -6.047 -11.492 -9.898 87 HB2 ALA 11 HB2 ALA 11 -7.807 -11.493 -9.918 88 HB3 ALA 11 HB3 ALA 11 -6.947 -10.233 -9.020 89 H LEU 12 H LEU 12 -4.972 -13.437 -8.972 90 HA LEU 12 HA LEU 12 -6.206 -15.727 -10.037 91 HB2 LEU 12 HB2 LEU 12 -3.441 -15.686 -8.796 92 HB3 LEU 12 HB3 LEU 12 -4.021 -16.792 -10.034 93 HG LEU 12 HG LEU 12 -3.384 -13.846 -10.356 94 HD11 LEU 12 HD11 LEU 12 -1.414 -15.180 -10.297 95 HD12 LEU 12 HD12 LEU 12 -1.687 -14.660 -11.963 96 HD13 LEU 12 HD13 LEU 12 -2.065 -16.325 -11.472 97 HD21 LEU 12 HD21 LEU 12 -5.257 -14.196 -11.769 98 HD22 LEU 12 HD22 LEU 12 -4.632 -15.748 -12.358 99 HD23 LEU 12 HD23 LEU 12 -3.839 -14.220 -12.812 100 H ASN 13 H ASN 13 -4.902 -15.224 -6.739 101 HA ASN 13 HA ASN 13 -5.321 -17.920 -5.851 102 HB2 ASN 13 HB2 ASN 13 -4.957 -15.300 -4.370 103 HB3 ASN 13 HB3 ASN 13 -5.474 -16.741 -3.510 104 HD21 ASN 13 HD21 ASN 13 -2.758 -15.241 -5.059 105 HD22 ASN 13 HD22 ASN 13 -1.585 -16.495 -4.828 106 H GLN 14 H GLN 14 -7.523 -15.073 -5.886 107 HA GLN 14 HA GLN 14 -9.599 -16.639 -4.548 108 HB2 GLN 14 HB2 GLN 14 -9.416 -13.830 -5.601 109 HB3 GLN 14 HB3 GLN 14 -10.987 -14.549 -5.244 110 HG2 GLN 14 HG2 GLN 14 -10.360 -13.410 -3.255 111 HG3 GLN 14 HG3 GLN 14 -10.153 -15.133 -2.917 112 HE21 GLN 14 HE21 GLN 14 -8.609 -12.126 -3.719 113 HE22 GLN 14 HE22 GLN 14 -7.000 -12.463 -3.132 114 H GLY 15 H GLY 15 -8.388 -16.757 -7.620 115 HA2 GLY 15 HA2 GLY 15 -9.112 -18.198 -9.308 116 HA3 GLY 15 HA3 GLY 15 -10.733 -18.252 -8.588 117 H ILE 16 H ILE 16 -8.691 -15.404 -9.526 118 HA ILE 16 HA ILE 16 -10.648 -14.736 -11.654 119 HB ILE 16 HB ILE 16 -9.565 -12.932 -9.481 120 HG12 ILE 16 HG12 ILE 16 -12.513 -13.006 -10.014 121 HG13 ILE 16 HG13 ILE 16 -11.864 -14.475 -9.309 122 HG21 ILE 16 HG21 ILE 16 -10.862 -11.109 -10.565 123 HG22 ILE 16 HG22 ILE 16 -9.514 -11.674 -11.547 124 HG23 ILE 16 HG23 ILE 16 -11.170 -12.181 -11.954 125 HD11 ILE 16 HD11 ILE 16 -11.616 -11.709 -8.164 126 HD12 ILE 16 HD12 ILE 16 -12.563 -13.065 -7.524 127 HD13 ILE 16 HD13 ILE 16 -10.794 -13.151 -7.506 128 H THR 17 H THR 17 -9.637 -14.444 -13.502 129 HA THR 17 HA THR 17 -6.703 -14.193 -13.623 130 HB THR 17 HB THR 17 -8.925 -14.695 -15.636 131 HG1 THR 17 HG1 THR 17 -7.004 -16.490 -14.563 132 HG21 THR 17 HG21 THR 17 -7.130 -13.557 -16.767 133 HG22 THR 17 HG22 THR 17 -7.164 -15.254 -17.256 134 HG23 THR 17 HG23 THR 17 -5.931 -14.685 -16.084 135 H LEU 18 H LEU 18 -5.871 -12.116 -13.900 136 HA LEU 18 HA LEU 18 -7.733 -9.973 -14.829 137 HB2 LEU 18 HB2 LEU 18 -4.994 -9.909 -13.517 138 HB3 LEU 18 HB3 LEU 18 -5.709 -8.518 -14.338 139 HG LEU 18 HG LEU 18 -7.078 -9.943 -12.052 140 HD11 LEU 18 HD11 LEU 18 -6.138 -8.430 -10.520 141 HD12 LEU 18 HD12 LEU 18 -5.611 -7.285 -11.781 142 HD13 LEU 18 HD13 LEU 18 -4.791 -8.817 -11.566 143 HD21 LEU 18 HD21 LEU 18 -8.244 -8.206 -13.817 144 HD22 LEU 18 HD22 LEU 18 -7.597 -7.038 -12.668 145 HD23 LEU 18 HD23 LEU 18 -8.693 -8.325 -12.137 146 H PHE 19 H PHE 19 -7.519 -9.157 -16.878 147 HA PHE 19 HA PHE 19 -5.049 -9.662 -18.386 148 HB2 PHE 19 HB2 PHE 19 -5.981 -10.924 -20.097 149 HB3 PHE 19 HB3 PHE 19 -6.589 -11.719 -18.649 150 HD1 PHE 19 HD1 PHE 19 -7.450 -9.887 -21.703 151 HD2 PHE 19 HD2 PHE 19 -9.030 -11.550 -18.050 152 HE1 PHE 19 HE1 PHE 19 -9.734 -9.819 -22.649 153 HE2 PHE 19 HE2 PHE 19 -11.350 -11.290 -18.968 154 HZ PHE 19 HZ PHE 19 -11.690 -10.476 -21.262 155 H VAL 20 H VAL 20 -4.954 -8.059 -20.255 156 HA VAL 20 HA VAL 20 -7.047 -5.996 -19.966 157 HB VAL 20 HB VAL 20 -5.522 -4.575 -19.901 158 HG11 VAL 20 HG11 VAL 20 -4.140 -6.023 -18.748 159 HG12 VAL 20 HG12 VAL 20 -3.380 -6.634 -20.259 160 HG13 VAL 20 HG13 VAL 20 -3.158 -4.948 -19.750 161 HG21 VAL 20 HG21 VAL 20 -3.977 -4.038 -21.769 162 HG22 VAL 20 HG22 VAL 20 -4.461 -5.539 -22.563 163 HG23 VAL 20 HG23 VAL 20 -5.660 -4.238 -22.247 164 H SER 21 H SER 21 -8.173 -5.316 -21.637 165 HA SER 21 HA SER 21 -7.884 -6.655 -24.246 166 HB2 SER 21 HB2 SER 21 -9.733 -7.474 -22.333 167 HB3 SER 21 HB3 SER 21 -10.620 -6.199 -23.184 168 HG SER 21 HG SER 21 -9.234 -8.389 -24.376 169 H ASP 22 H ASP 22 -7.849 -5.085 -25.728 170 HA ASP 22 HA ASP 22 -7.776 -3.006 -26.608 171 HB2 ASP 22 HB2 ASP 22 -10.129 -3.732 -26.888 172 HB3 ASP 22 HB3 ASP 22 -10.559 -2.989 -25.352 173 H ASN 23 H ASN 23 -6.266 -3.060 -24.632 174 HA ASN 23 HA ASN 23 -5.095 -1.863 -23.127 175 HB2 ASN 23 HB2 ASN 23 -5.328 -0.275 -25.281 176 HB3 ASN 23 HB3 ASN 23 -6.180 0.767 -24.141 177 HD21 ASN 23 HD21 ASN 23 -3.379 -1.390 -24.243 178 HD22 ASN 23 HD22 ASN 23 -2.225 -0.357 -23.385 179 H LYS 24 H LYS 24 -7.635 -2.780 -22.307 180 HA LYS 24 HA LYS 24 -8.008 -0.894 -20.096 181 HB2 LYS 24 HB2 LYS 24 -9.775 -0.741 -21.977 182 HB3 LYS 24 HB3 LYS 24 -10.263 -2.369 -21.542 183 HG2 LYS 24 HG2 LYS 24 -11.662 -0.631 -20.415 184 HG3 LYS 24 HG3 LYS 24 -10.819 -1.655 -19.258 185 HD2 LYS 24 HD2 LYS 24 -10.873 0.783 -18.720 186 HD3 LYS 24 HD3 LYS 24 -9.255 0.105 -18.725 187 HE2 LYS 24 HE2 LYS 24 -8.901 0.958 -21.060 188 HE3 LYS 24 HE3 LYS 24 -10.514 1.677 -21.012 189 HZ1 LYS 24 HZ1 LYS 24 -9.756 3.042 -19.161 190 HZ2 LYS 24 HZ2 LYS 24 -8.899 3.274 -20.540 191 HZ3 LYS 24 HZ3 LYS 24 -8.197 2.432 -19.340 192 H LEU 25 H LEU 25 -7.796 -1.809 -18.237 193 HA LEU 25 HA LEU 25 -7.095 -4.498 -17.840 194 HB2 LEU 25 HB2 LEU 25 -6.553 -2.724 -16.221 195 HB3 LEU 25 HB3 LEU 25 -8.266 -2.412 -15.947 196 HG LEU 25 HG LEU 25 -8.530 -4.679 -14.954 197 HD11 LEU 25 HD11 LEU 25 -6.383 -5.927 -14.379 198 HD12 LEU 25 HD12 LEU 25 -5.551 -4.888 -15.559 199 HD13 LEU 25 HD13 LEU 25 -6.835 -6.001 -16.079 200 HD21 LEU 25 HD21 LEU 25 -7.953 -2.694 -13.606 201 HD22 LEU 25 HD22 LEU 25 -6.231 -3.059 -13.800 202 HD23 LEU 25 HD23 LEU 25 -7.298 -4.200 -12.935 203 H LYS 26 H LYS 26 -8.363 -6.273 -17.780 204 HA LYS 26 HA LYS 26 -11.268 -6.041 -17.254 205 HB2 LYS 26 HB2 LYS 26 -9.839 -7.063 -19.654 206 HB3 LYS 26 HB3 LYS 26 -10.751 -8.324 -18.872 207 HG2 LYS 26 HG2 LYS 26 -12.221 -7.408 -20.429 208 HG3 LYS 26 HG3 LYS 26 -12.760 -6.761 -18.864 209 HD2 LYS 26 HD2 LYS 26 -11.523 -4.646 -19.359 210 HD3 LYS 26 HD3 LYS 26 -10.905 -5.339 -20.844 211 HE2 LYS 26 HE2 LYS 26 -13.779 -4.574 -20.196 212 HE3 LYS 26 HE3 LYS 26 -12.685 -3.762 -21.322 213 HZ1 LYS 26 HZ1 LYS 26 -12.777 -5.770 -22.731 214 HZ2 LYS 26 HZ2 LYS 26 -14.258 -5.124 -22.486 215 HZ3 LYS 26 HZ3 LYS 26 -13.808 -6.474 -21.679 216 H TYR 27 H TYR 27 -12.068 -8.093 -16.390 217 HA TYR 27 HA TYR 27 -10.017 -9.744 -15.049 218 HB2 TYR 27 HB2 TYR 27 -10.965 -9.531 -12.877 219 HB3 TYR 27 HB3 TYR 27 -10.893 -7.917 -13.517 220 HD1 TYR 27 HD1 TYR 27 -12.892 -6.596 -13.786 221 HD2 TYR 27 HD2 TYR 27 -13.168 -10.780 -12.793 222 HE1 TYR 27 HE1 TYR 27 -15.280 -6.299 -13.192 223 HE2 TYR 27 HE2 TYR 27 -15.563 -10.512 -12.256 224 HH TYR 27 HH TYR 27 -17.362 -8.991 -12.052 225 H LYS 28 H LYS 28 -10.670 -11.927 -14.880 226 HA LYS 28 HA LYS 28 -13.214 -12.672 -16.233 227 HB2 LYS 28 HB2 LYS 28 -10.760 -12.728 -17.436 228 HB3 LYS 28 HB3 LYS 28 -10.678 -14.252 -16.640 229 HG2 LYS 28 HG2 LYS 28 -12.990 -13.441 -18.451 230 HG3 LYS 28 HG3 LYS 28 -11.481 -14.140 -19.053 231 HD2 LYS 28 HD2 LYS 28 -13.317 -15.569 -17.069 232 HD3 LYS 28 HD3 LYS 28 -13.289 -15.811 -18.826 233 HE2 LYS 28 HE2 LYS 28 -10.777 -16.195 -18.630 234 HE3 LYS 28 HE3 LYS 28 -10.973 -16.263 -16.884 235 HZ1 LYS 28 HZ1 LYS 28 -12.399 -18.067 -18.742 236 HZ2 LYS 28 HZ2 LYS 28 -12.301 -18.184 -17.079 237 HZ3 LYS 28 HZ3 LYS 28 -10.989 -18.436 -18.029 238 H THR 29 H THR 29 -14.238 -14.450 -15.146 239 HA THR 29 HA THR 29 -12.781 -16.166 -13.393 240 HB THR 29 HB THR 29 -12.782 -14.194 -11.966 241 HG1 THR 29 HG1 THR 29 -13.029 -15.876 -10.753 242 HG21 THR 29 HG21 THR 29 -14.964 -13.203 -11.156 243 HG22 THR 29 HG22 THR 29 -15.737 -13.998 -12.545 244 HG23 THR 29 HG23 THR 29 -14.477 -12.786 -12.803 245 H ASN 30 H ASN 30 -14.668 -17.410 -12.096 246 HA ASN 30 HA ASN 30 -16.904 -17.920 -14.018 247 HB2 ASN 30 HB2 ASN 30 -15.023 -19.795 -12.613 248 HB3 ASN 30 HB3 ASN 30 -16.682 -20.296 -12.872 249 HD21 ASN 30 HD21 ASN 30 -16.350 -21.867 -14.543 250 HD22 ASN 30 HD22 ASN 30 -15.798 -21.376 -16.121 251 H ARG 31 H ARG 31 -16.395 -16.330 -11.299 252 HA ARG 31 HA ARG 31 -19.004 -17.000 -10.078 253 HB2 ARG 31 HB2 ARG 31 -18.143 -16.867 -7.898 254 HB3 ARG 31 HB3 ARG 31 -17.096 -17.987 -8.733 255 HG2 ARG 31 HG2 ARG 31 -15.992 -15.245 -8.886 256 HG3 ARG 31 HG3 ARG 31 -16.401 -15.648 -7.226 257 HD2 ARG 31 HD2 ARG 31 -14.728 -17.327 -9.100 258 HD3 ARG 31 HD3 ARG 31 -14.082 -16.198 -7.894 259 HE ARG 31 HE ARG 31 -15.438 -17.596 -6.218 260 HH11 ARG 31 HH11 ARG 31 -13.894 -19.129 -9.088 261 HH12 ARG 31 HH12 ARG 31 -13.802 -20.677 -8.316 262 HH21 ARG 31 HH21 ARG 31 -15.143 -19.596 -5.226 263 HH22 ARG 31 HH22 ARG 31 -14.165 -20.807 -6.010 264 H ASP 32 H ASP 32 -19.876 -15.060 -9.016 265 HA ASP 32 HA ASP 32 -18.621 -12.568 -10.129 266 HB2 ASP 32 HB2 ASP 32 -21.522 -13.405 -10.138 267 HB3 ASP 32 HB3 ASP 32 -21.003 -11.716 -10.307 268 H SER 33 H SER 33 -19.399 -14.204 -7.331 269 HA SER 33 HA SER 33 -20.079 -11.803 -5.769 270 HB2 SER 33 HB2 SER 33 -20.886 -14.219 -5.396 271 HB3 SER 33 HB3 SER 33 -19.323 -14.489 -4.615 272 HG SER 33 HG SER 33 -20.913 -13.821 -3.107 273 H ILE 34 H ILE 34 -17.784 -11.265 -7.125 274 HA ILE 34 HA ILE 34 -15.427 -11.883 -5.541 275 HB ILE 34 HB ILE 34 -14.190 -10.573 -7.134 276 HG12 ILE 34 HG12 ILE 34 -15.500 -9.636 -9.172 277 HG13 ILE 34 HG13 ILE 34 -16.859 -9.472 -8.066 278 HG21 ILE 34 HG21 ILE 34 -14.615 -11.833 -9.124 279 HG22 ILE 34 HG22 ILE 34 -14.977 -12.872 -7.741 280 HG23 ILE 34 HG23 ILE 34 -16.301 -12.136 -8.674 281 HD11 ILE 34 HD11 ILE 34 -15.476 -7.413 -8.376 282 HD12 ILE 34 HD12 ILE 34 -15.531 -7.892 -6.682 283 HD13 ILE 34 HD13 ILE 34 -14.085 -8.235 -7.652 284 HA PRO 35 HA PRO 35 -15.811 -8.556 -2.661 285 HB2 PRO 35 HB2 PRO 35 -13.227 -8.022 -2.012 286 HB3 PRO 35 HB3 PRO 35 -14.001 -9.591 -1.613 287 HG2 PRO 35 HG2 PRO 35 -12.289 -8.951 -3.990 288 HG3 PRO 35 HG3 PRO 35 -12.081 -10.283 -2.802 289 HD2 PRO 35 HD2 PRO 35 -13.366 -10.700 -5.149 290 HD3 PRO 35 HD3 PRO 35 -14.003 -11.412 -3.645 291 H SER 36 H SER 36 -16.032 -6.437 -2.678 292 HA SER 36 HA SER 36 -15.768 -4.762 -4.891 293 HB2 SER 36 HB2 SER 36 -16.149 -2.931 -3.201 294 HB3 SER 36 HB3 SER 36 -17.277 -4.283 -3.075 295 HG SER 36 HG SER 36 -15.949 -5.093 -1.310 296 H GLU 37 H GLU 37 -13.442 -5.472 -2.384 297 HA GLU 37 HA GLU 37 -11.686 -3.297 -2.597 298 HB2 GLU 37 HB2 GLU 37 -10.132 -4.610 -1.410 299 HB3 GLU 37 HB3 GLU 37 -11.725 -5.233 -0.906 300 HG2 GLU 37 HG2 GLU 37 -11.343 -7.036 -2.721 301 HG3 GLU 37 HG3 GLU 37 -9.680 -6.458 -2.809 302 H LEU 38 H LEU 38 -11.970 -6.191 -4.623 303 HA LEU 38 HA LEU 38 -9.524 -5.767 -6.105 304 HB2 LEU 38 HB2 LEU 38 -11.981 -7.465 -6.352 305 HB3 LEU 38 HB3 LEU 38 -11.106 -7.166 -7.829 306 HG LEU 38 HG LEU 38 -9.145 -8.251 -7.109 307 HD11 LEU 38 HD11 LEU 38 -8.784 -7.662 -4.755 308 HD12 LEU 38 HD12 LEU 38 -8.871 -9.432 -4.913 309 HD13 LEU 38 HD13 LEU 38 -10.237 -8.532 -4.264 310 HD21 LEU 38 HD21 LEU 38 -11.583 -9.717 -6.045 311 HD22 LEU 38 HD22 LEU 38 -10.071 -10.467 -6.708 312 HD23 LEU 38 HD23 LEU 38 -11.175 -9.561 -7.753 313 H LEU 39 H LEU 39 -12.983 -4.892 -6.742 314 HA LEU 39 HA LEU 39 -12.545 -3.729 -9.272 315 HB2 LEU 39 HB2 LEU 39 -14.521 -2.914 -7.102 316 HB3 LEU 39 HB3 LEU 39 -14.601 -2.377 -8.780 317 HG LEU 39 HG LEU 39 -14.853 -5.271 -7.879 318 HD11 LEU 39 HD11 LEU 39 -17.263 -4.987 -8.303 319 HD12 LEU 39 HD12 LEU 39 -17.009 -3.278 -8.708 320 HD13 LEU 39 HD13 LEU 39 -16.716 -3.866 -7.057 321 HD21 LEU 39 HD21 LEU 39 -14.066 -5.067 -10.218 322 HD22 LEU 39 HD22 LEU 39 -15.392 -3.943 -10.582 323 HD23 LEU 39 HD23 LEU 39 -15.738 -5.635 -10.183 324 H GLU 40 H GLU 40 -12.257 -2.324 -6.018 325 HA GLU 40 HA GLU 40 -11.684 0.331 -7.051 326 HB2 GLU 40 HB2 GLU 40 -11.513 -0.781 -4.220 327 HB3 GLU 40 HB3 GLU 40 -11.387 0.930 -4.697 328 HG2 GLU 40 HG2 GLU 40 -13.648 0.572 -5.916 329 HG3 GLU 40 HG3 GLU 40 -13.789 -0.923 -5.033 330 H GLU 41 H GLU 41 -9.625 -2.339 -5.670 331 HA GLU 41 HA GLU 41 -7.258 -0.768 -5.784 332 HB2 GLU 41 HB2 GLU 41 -7.723 -3.101 -4.608 333 HB3 GLU 41 HB3 GLU 41 -7.188 -3.762 -6.172 334 HG2 GLU 41 HG2 GLU 41 -5.277 -3.643 -4.798 335 HG3 GLU 41 HG3 GLU 41 -5.120 -2.294 -5.927 336 H TRP 42 H TRP 42 -8.904 -2.900 -8.107 337 HA TRP 42 HA TRP 42 -6.921 -2.883 -10.135 338 HB2 TRP 42 HB2 TRP 42 -9.943 -3.112 -10.291 339 HB3 TRP 42 HB3 TRP 42 -8.894 -3.304 -11.667 340 HD1 TRP 42 HD1 TRP 42 -6.776 -5.050 -9.594 341 HE1 TRP 42 HE1 TRP 42 -7.321 -7.523 -9.226 342 HE3 TRP 42 HE3 TRP 42 -11.667 -5.034 -11.070 343 HZ2 TRP 42 HZ2 TRP 42 -9.572 -9.284 -9.552 344 HZ3 TRP 42 HZ3 TRP 42 -13.033 -7.110 -10.881 345 HH2 TRP 42 HH2 TRP 42 -12.009 -9.222 -10.175 346 H LYS 43 H LYS 43 -9.659 -0.644 -9.470 347 HA LYS 43 HA LYS 43 -9.163 1.045 -11.775 348 HB2 LYS 43 HB2 LYS 43 -11.305 0.852 -10.537 349 HB3 LYS 43 HB3 LYS 43 -10.537 1.467 -9.077 350 HG2 LYS 43 HG2 LYS 43 -10.209 3.667 -10.206 351 HG3 LYS 43 HG3 LYS 43 -11.004 3.032 -11.649 352 HD2 LYS 43 HD2 LYS 43 -13.007 2.526 -10.370 353 HD3 LYS 43 HD3 LYS 43 -12.277 2.976 -8.849 354 HE2 LYS 43 HE2 LYS 43 -12.527 5.031 -11.070 355 HE3 LYS 43 HE3 LYS 43 -13.889 4.667 -10.006 356 HZ1 LYS 43 HZ1 LYS 43 -12.638 5.314 -8.121 357 HZ2 LYS 43 HZ2 LYS 43 -12.523 6.517 -9.223 358 HZ3 LYS 43 HZ3 LYS 43 -11.250 5.492 -8.956 359 H GLN 44 H GLN 44 -7.985 1.017 -8.483 360 HA GLN 44 HA GLN 44 -6.724 3.608 -8.457 361 HB2 GLN 44 HB2 GLN 44 -6.389 1.058 -6.815 362 HB3 GLN 44 HB3 GLN 44 -5.323 2.427 -6.551 363 HG2 GLN 44 HG2 GLN 44 -6.933 3.785 -5.683 364 HG3 GLN 44 HG3 GLN 44 -8.217 3.087 -6.630 365 HE21 GLN 44 HE21 GLN 44 -6.197 0.884 -4.427 366 HE22 GLN 44 HE22 GLN 44 -7.559 0.733 -3.365 367 H HIS 45 H HIS 45 -5.437 0.297 -9.016 368 HA HIS 45 HA HIS 45 -2.938 1.457 -10.074 369 HB2 HIS 45 HB2 HIS 45 -3.819 -1.348 -9.236 370 HB3 HIS 45 HB3 HIS 45 -2.248 -0.997 -9.912 371 HD1 HIS 45 HD1 HIS 45 -0.351 -0.395 -8.294 372 HD2 HIS 45 HD2 HIS 45 -4.249 -0.108 -6.681 373 HE1 HIS 45 HE1 HIS 45 -0.082 0.130 -5.828 374 H LYS 46 H LYS 46 -5.715 1.180 -11.639 375 HA LYS 46 HA LYS 46 -5.502 -0.823 -13.514 376 HB2 LYS 46 HB2 LYS 46 -7.019 0.383 -14.938 377 HB3 LYS 46 HB3 LYS 46 -7.531 0.471 -13.285 378 HG2 LYS 46 HG2 LYS 46 -7.930 2.612 -13.735 379 HG3 LYS 46 HG3 LYS 46 -6.230 2.822 -13.335 380 HD2 LYS 46 HD2 LYS 46 -5.662 2.596 -15.796 381 HD3 LYS 46 HD3 LYS 46 -7.371 2.372 -16.158 382 HE2 LYS 46 HE2 LYS 46 -7.911 4.567 -15.461 383 HE3 LYS 46 HE3 LYS 46 -6.337 4.830 -14.720 384 HZ1 LYS 46 HZ1 LYS 46 -6.636 4.315 -17.628 385 HZ2 LYS 46 HZ2 LYS 46 -5.343 4.969 -16.893 386 HZ3 LYS 46 HZ3 LYS 46 -6.726 5.843 -17.027 387 H GLN 47 H GLN 47 -3.979 2.367 -13.658 388 HA GLN 47 HA GLN 47 -3.142 2.097 -16.302 389 HB2 GLN 47 HB2 GLN 47 -3.395 4.158 -14.805 390 HB3 GLN 47 HB3 GLN 47 -1.899 3.700 -14.018 391 HG2 GLN 47 HG2 GLN 47 -1.571 5.440 -15.812 392 HG3 GLN 47 HG3 GLN 47 -0.765 3.942 -16.299 393 HE21 GLN 47 HE21 GLN 47 -1.518 2.864 -18.108 394 HE22 GLN 47 HE22 GLN 47 -2.940 3.186 -19.023 395 H GLU 48 H GLU 48 -1.526 1.194 -13.274 396 HA GLU 48 HA GLU 48 0.940 0.411 -14.597 397 HB2 GLU 48 HB2 GLU 48 0.178 -0.720 -11.928 398 HB3 GLU 48 HB3 GLU 48 1.722 -0.074 -12.480 399 HG2 GLU 48 HG2 GLU 48 -0.740 1.485 -11.571 400 HG3 GLU 48 HG3 GLU 48 0.747 1.294 -10.695 401 H LEU 49 H LEU 49 -1.979 -1.163 -13.376 402 HA LEU 49 HA LEU 49 -1.294 -3.882 -13.763 403 HB2 LEU 49 HB2 LEU 49 -3.893 -2.355 -13.662 404 HB3 LEU 49 HB3 LEU 49 -3.943 -4.043 -14.093 405 HG LEU 49 HG LEU 49 -2.553 -3.132 -11.551 406 HD11 LEU 49 HD11 LEU 49 -4.975 -2.418 -11.557 407 HD12 LEU 49 HD12 LEU 49 -4.599 -3.623 -10.328 408 HD13 LEU 49 HD13 LEU 49 -5.419 -4.121 -11.805 409 HD21 LEU 49 HD21 LEU 49 -3.793 -5.795 -12.430 410 HD22 LEU 49 HD22 LEU 49 -3.006 -5.479 -10.874 411 HD23 LEU 49 HD23 LEU 49 -2.061 -5.455 -12.366 412 H ILE 50 H ILE 50 -2.717 -1.578 -16.053 413 HA ILE 50 HA ILE 50 -3.142 -3.496 -18.121 414 HB ILE 50 HB ILE 50 -2.913 -0.456 -18.215 415 HG12 ILE 50 HG12 ILE 50 -5.336 -2.236 -18.724 416 HG13 ILE 50 HG13 ILE 50 -4.888 -1.768 -17.100 417 HG21 ILE 50 HG21 ILE 50 -3.721 -2.343 -20.468 418 HG22 ILE 50 HG22 ILE 50 -3.843 -0.578 -20.517 419 HG23 ILE 50 HG23 ILE 50 -2.261 -1.347 -20.444 420 HD11 ILE 50 HD11 ILE 50 -5.677 0.136 -19.320 421 HD12 ILE 50 HD12 ILE 50 -6.587 -0.246 -17.849 422 HD13 ILE 50 HD13 ILE 50 -5.060 0.646 -17.738 423 H ASP 51 H ASP 51 -0.507 -1.050 -17.613 424 HA ASP 51 HA ASP 51 1.073 -1.872 -19.768 425 HB2 ASP 51 HB2 ASP 51 1.358 0.098 -18.105 426 HB3 ASP 51 HB3 ASP 51 2.333 -1.008 -17.156 427 H PHE 52 H PHE 52 1.074 -3.226 -16.449 428 HA PHE 52 HA PHE 52 3.280 -5.025 -16.815 429 HB2 PHE 52 HB2 PHE 52 2.671 -4.222 -14.637 430 HB3 PHE 52 HB3 PHE 52 0.991 -4.721 -14.862 431 HD1 PHE 52 HD1 PHE 52 4.452 -6.184 -14.909 432 HD2 PHE 52 HD2 PHE 52 0.300 -6.863 -14.090 433 HE1 PHE 52 HE1 PHE 52 5.022 -8.412 -13.958 434 HE2 PHE 52 HE2 PHE 52 0.855 -9.139 -13.193 435 HZ PHE 52 HZ PHE 52 3.214 -9.890 -13.115 436 H LEU 53 H LEU 53 -0.233 -5.308 -17.264 437 HA LEU 53 HA LEU 53 -0.005 -8.217 -17.546 438 HB2 LEU 53 HB2 LEU 53 -2.227 -6.223 -17.703 439 HB3 LEU 53 HB3 LEU 53 -2.512 -7.888 -18.215 440 HG LEU 53 HG LEU 53 -1.489 -7.211 -15.414 441 HD11 LEU 53 HD11 LEU 53 -3.675 -6.108 -15.879 442 HD12 LEU 53 HD12 LEU 53 -3.777 -7.375 -14.659 443 HD13 LEU 53 HD13 LEU 53 -4.363 -7.691 -16.316 444 HD21 LEU 53 HD21 LEU 53 -2.510 -9.474 -14.932 445 HD22 LEU 53 HD22 LEU 53 -1.124 -9.530 -16.030 446 HD23 LEU 53 HD23 LEU 53 -2.769 -9.672 -16.667 447 H THR 54 H THR 54 -0.524 -5.391 -19.678 448 HA THR 54 HA THR 54 -0.993 -6.963 -22.014 449 HB THR 54 HB THR 54 -1.627 -4.579 -21.494 450 HG1 THR 54 HG1 THR 54 -1.041 -5.734 -23.879 451 HG21 THR 54 HG21 THR 54 -0.336 -2.750 -21.994 452 HG22 THR 54 HG22 THR 54 0.984 -3.730 -22.715 453 HG23 THR 54 HG23 THR 54 0.655 -3.766 -20.971 454 H GLN 55 H GLN 55 1.991 -5.804 -20.387 455 HA GLN 55 HA GLN 55 3.634 -6.417 -22.693 456 HB2 GLN 55 HB2 GLN 55 5.467 -5.924 -21.274 457 HB3 GLN 55 HB3 GLN 55 4.149 -4.799 -20.878 458 HG2 GLN 55 HG2 GLN 55 4.557 -5.325 -18.742 459 HG3 GLN 55 HG3 GLN 55 3.680 -6.781 -19.073 460 HE21 GLN 55 HE21 GLN 55 5.213 -8.728 -19.870 461 HE22 GLN 55 HE22 GLN 55 6.676 -8.868 -18.974 462 H LEU 56 H LEU 56 2.097 -8.262 -20.164 463 HA LEU 56 HA LEU 56 3.940 -10.497 -20.389 464 HB2 LEU 56 HB2 LEU 56 3.260 -10.984 -18.381 465 HB3 LEU 56 HB3 LEU 56 2.267 -9.559 -18.392 466 HG LEU 56 HG LEU 56 0.325 -10.966 -19.190 467 HD11 LEU 56 HD11 LEU 56 0.570 -13.461 -18.580 468 HD12 LEU 56 HD12 LEU 56 2.342 -13.196 -18.678 469 HD13 LEU 56 HD13 LEU 56 1.321 -12.985 -20.091 470 HD21 LEU 56 HD21 LEU 56 0.775 -10.268 -16.832 471 HD22 LEU 56 HD22 LEU 56 1.703 -11.749 -16.573 472 HD23 LEU 56 HD23 LEU 56 -0.043 -11.832 -16.915 473 H GLU 57 H GLU 57 0.760 -9.396 -21.525 474 HA GLU 57 HA GLU 57 -0.185 -11.732 -22.838 475 HB2 GLU 57 HB2 GLU 57 -1.402 -9.566 -22.311 476 HB3 GLU 57 HB3 GLU 57 -0.588 -8.887 -23.709 477 HG2 GLU 57 HG2 GLU 57 -2.536 -9.488 -24.638 478 HG3 GLU 57 HG3 GLU 57 -1.648 -10.937 -25.013 479 H SER 58 H SER 58 2.558 -9.681 -23.577 480 HA SER 58 HA SER 58 2.743 -10.189 -26.418 481 HB2 SER 58 HB2 SER 58 4.972 -9.446 -24.488 482 HB3 SER 58 HB3 SER 58 4.850 -9.060 -26.210 483 HG SER 58 HG SER 58 2.979 -7.768 -25.602 484 H GLU 59 H GLU 59 3.624 -11.932 -23.492 485 HA GLU 59 HA GLU 59 5.576 -13.690 -24.849 486 HB2 GLU 59 HB2 GLU 59 6.146 -12.248 -22.867 487 HB3 GLU 59 HB3 GLU 59 4.943 -13.112 -21.919 488 HG2 GLU 59 HG2 GLU 59 6.255 -15.209 -22.196 489 HG3 GLU 59 HG3 GLU 59 7.476 -14.301 -23.110 490 H GLU 60 H GLU 60 4.962 -15.811 -25.197 491 HA GLU 60 HA GLU 60 2.491 -16.787 -23.834 492 HB2 GLU 60 HB2 GLU 60 2.908 -18.389 -26.103 493 HB3 GLU 60 HB3 GLU 60 1.605 -17.288 -25.760 494 HG2 GLU 60 HG2 GLU 60 2.328 -16.725 -27.892 495 HG3 GLU 60 HG3 GLU 60 2.953 -15.435 -26.881 496 H GLU 61 H GLU 61 5.839 -17.628 -24.910 497 HA GLU 61 HA GLU 61 5.830 -19.752 -22.835 498 HB2 GLU 61 HB2 GLU 61 5.509 -20.582 -25.292 499 HB3 GLU 61 HB3 GLU 61 7.151 -20.014 -25.552 500 HG2 GLU 61 HG2 GLU 61 7.667 -22.144 -24.968 501 HG3 GLU 61 HG3 GLU 61 7.624 -21.492 -23.335 502 H SER 62 H SER 62 7.474 -19.262 -21.422 503 HA SER 62 HA SER 62 9.378 -17.162 -22.048 504 HB2 SER 62 HB2 SER 62 10.269 -18.336 -19.722 505 HB3 SER 62 HB3 SER 62 9.180 -16.975 -19.840 506 HG SER 62 HG SER 62 8.469 -18.698 -18.459 Start of MODEL 5 1 H1 MET 1 H MET 1 2.899 -1.095 0.797 2 HA MET 1 HA MET 1 2.052 0.315 -1.663 3 HB2 MET 1 HB2 MET 1 4.814 -0.279 -0.526 4 HB3 MET 1 HB3 MET 1 4.535 0.274 -2.183 5 HG2 MET 1 HG2 MET 1 3.570 1.740 0.291 6 HG3 MET 1 HG3 MET 1 5.040 2.137 -0.595 7 HE1 MET 1 HE1 MET 1 4.720 2.300 -3.504 8 HE2 MET 1 HE2 MET 1 4.012 3.916 -3.726 9 HE3 MET 1 HE3 MET 1 5.234 3.656 -2.474 10 H LYS 2 H LYS 2 1.663 -0.893 -3.434 11 HA LYS 2 HA LYS 2 2.682 -3.701 -3.550 12 HB2 LYS 2 HB2 LYS 2 -0.087 -2.642 -4.248 13 HB3 LYS 2 HB3 LYS 2 0.470 -4.259 -4.575 14 HG2 LYS 2 HG2 LYS 2 -0.540 -4.816 -2.671 15 HG3 LYS 2 HG3 LYS 2 0.928 -4.265 -1.914 16 HD2 LYS 2 HD2 LYS 2 -1.056 -3.460 -0.742 17 HD3 LYS 2 HD3 LYS 2 -0.164 -2.081 -1.423 18 HE2 LYS 2 HE2 LYS 2 -1.708 -1.969 -3.307 19 HE3 LYS 2 HE3 LYS 2 -2.549 -3.428 -2.772 20 HZ1 LYS 2 HZ1 LYS 2 -2.451 -0.935 -1.178 21 HZ2 LYS 2 HZ2 LYS 2 -3.436 -2.248 -0.963 22 HZ3 LYS 2 HZ3 LYS 2 -3.612 -1.304 -2.295 23 H ASN 3 H ASN 3 1.769 -4.318 -6.068 24 HA ASN 3 HA ASN 3 2.541 -2.293 -7.966 25 HB2 ASN 3 HB2 ASN 3 4.317 -3.382 -8.942 26 HB3 ASN 3 HB3 ASN 3 4.716 -3.579 -7.252 27 HD21 ASN 3 HD21 ASN 3 4.172 -5.738 -6.247 28 HD22 ASN 3 HD22 ASN 3 3.896 -7.134 -7.287 29 H ALA 4 H ALA 4 2.204 -3.344 -10.239 30 HA ALA 4 HA ALA 4 -0.422 -4.178 -10.467 31 HB1 ALA 4 HB1 ALA 4 1.916 -4.644 -12.372 32 HB2 ALA 4 HB2 ALA 4 0.228 -4.944 -12.789 33 HB3 ALA 4 HB3 ALA 4 0.739 -3.305 -12.393 34 H ALA 5 H ALA 5 2.415 -6.428 -10.512 35 HA ALA 5 HA ALA 5 0.840 -8.784 -10.831 36 HB1 ALA 5 HB1 ALA 5 2.782 -10.024 -10.080 37 HB2 ALA 5 HB2 ALA 5 3.288 -8.731 -11.191 38 HB3 ALA 5 HB3 ALA 5 3.524 -8.546 -9.429 39 H LYS 6 H LYS 6 1.646 -6.931 -7.935 40 HA LYS 6 HA LYS 6 1.164 -8.972 -6.000 41 HB2 LYS 6 HB2 LYS 6 1.608 -6.105 -6.087 42 HB3 LYS 6 HB3 LYS 6 0.314 -6.413 -4.974 43 HG2 LYS 6 HG2 LYS 6 2.839 -8.069 -4.778 44 HG3 LYS 6 HG3 LYS 6 2.893 -6.359 -4.326 45 HD2 LYS 6 HD2 LYS 6 2.492 -7.604 -2.326 46 HD3 LYS 6 HD3 LYS 6 1.072 -6.650 -2.736 47 HE2 LYS 6 HE2 LYS 6 0.220 -8.679 -2.070 48 HE3 LYS 6 HE3 LYS 6 0.090 -8.749 -3.826 49 HZ1 LYS 6 HZ1 LYS 6 1.077 -10.730 -2.482 50 HZ2 LYS 6 HZ2 LYS 6 2.447 -9.859 -2.437 51 HZ3 LYS 6 HZ3 LYS 6 1.846 -10.319 -3.875 52 H ILE 7 H ILE 7 -0.990 -6.524 -7.459 53 HA ILE 7 HA ILE 7 -3.325 -7.470 -6.106 54 HB ILE 7 HB ILE 7 -3.341 -6.050 -8.773 55 HG12 ILE 7 HG12 ILE 7 -3.623 -4.103 -6.684 56 HG13 ILE 7 HG13 ILE 7 -2.154 -4.979 -6.313 57 HG21 ILE 7 HG21 ILE 7 -5.394 -4.983 -7.856 58 HG22 ILE 7 HG22 ILE 7 -5.524 -6.740 -8.035 59 HG23 ILE 7 HG23 ILE 7 -5.268 -6.023 -6.428 60 HD11 ILE 7 HD11 ILE 7 -1.596 -3.143 -7.755 61 HD12 ILE 7 HD12 ILE 7 -1.524 -4.621 -8.740 62 HD13 ILE 7 HD13 ILE 7 -2.945 -3.549 -8.853 63 H VAL 8 H VAL 8 -1.885 -8.243 -9.329 64 HA VAL 8 HA VAL 8 -3.944 -9.938 -10.268 65 HB VAL 8 HB VAL 8 -0.951 -10.140 -10.706 66 HG11 VAL 8 HG11 VAL 8 -3.236 -11.295 -12.362 67 HG12 VAL 8 HG12 VAL 8 -1.536 -11.252 -12.866 68 HG13 VAL 8 HG13 VAL 8 -2.030 -12.210 -11.457 69 HG21 VAL 8 HG21 VAL 8 -1.124 -8.707 -12.564 70 HG22 VAL 8 HG22 VAL 8 -2.861 -8.946 -12.740 71 HG23 VAL 8 HG23 VAL 8 -2.249 -7.935 -11.444 72 H ASN 9 H ASN 9 -1.019 -10.896 -8.377 73 HA ASN 9 HA ASN 9 -1.688 -13.603 -8.127 74 HB2 ASN 9 HB2 ASN 9 0.214 -13.646 -7.011 75 HB3 ASN 9 HB3 ASN 9 0.281 -11.882 -7.053 76 HD21 ASN 9 HD21 ASN 9 -0.653 -10.735 -5.195 77 HD22 ASN 9 HD22 ASN 9 -0.873 -11.538 -3.649 78 H GLU 10 H GLU 10 -2.937 -10.879 -6.213 79 HA GLU 10 HA GLU 10 -4.280 -12.589 -4.278 80 HB2 GLU 10 HB2 GLU 10 -4.390 -9.649 -4.987 81 HB3 GLU 10 HB3 GLU 10 -5.623 -10.367 -3.938 82 HG2 GLU 10 HG2 GLU 10 -4.114 -10.907 -2.249 83 HG3 GLU 10 HG3 GLU 10 -2.720 -10.881 -3.322 84 H ALA 11 H ALA 11 -5.205 -11.045 -7.404 85 HA ALA 11 HA ALA 11 -7.952 -11.733 -7.290 86 HB1 ALA 11 HB1 ALA 11 -6.944 -10.072 -8.864 87 HB2 ALA 11 HB2 ALA 11 -6.186 -11.412 -9.761 88 HB3 ALA 11 HB3 ALA 11 -7.939 -11.286 -9.682 89 H LEU 12 H LEU 12 -5.114 -13.407 -8.703 90 HA LEU 12 HA LEU 12 -6.433 -15.687 -9.676 91 HB2 LEU 12 HB2 LEU 12 -3.694 -15.614 -8.401 92 HB3 LEU 12 HB3 LEU 12 -4.296 -16.883 -9.462 93 HG LEU 12 HG LEU 12 -3.719 -14.014 -10.276 94 HD11 LEU 12 HD11 LEU 12 -1.848 -14.957 -11.489 95 HD12 LEU 12 HD12 LEU 12 -2.265 -16.598 -10.926 96 HD13 LEU 12 HD13 LEU 12 -1.719 -15.367 -9.781 97 HD21 LEU 12 HD21 LEU 12 -5.565 -14.960 -11.604 98 HD22 LEU 12 HD22 LEU 12 -4.602 -16.398 -11.974 99 HD23 LEU 12 HD23 LEU 12 -4.116 -14.793 -12.589 100 H ASN 13 H ASN 13 -5.255 -15.053 -6.367 101 HA ASN 13 HA ASN 13 -5.750 -17.728 -5.400 102 HB2 ASN 13 HB2 ASN 13 -5.421 -15.048 -4.021 103 HB3 ASN 13 HB3 ASN 13 -6.039 -16.433 -3.146 104 HD21 ASN 13 HD21 ASN 13 -3.176 -15.197 -4.876 105 HD22 ASN 13 HD22 ASN 13 -2.072 -16.373 -4.229 106 H GLN 14 H GLN 14 -7.810 -14.787 -5.587 107 HA GLN 14 HA GLN 14 -10.122 -16.175 -4.462 108 HB2 GLN 14 HB2 GLN 14 -9.585 -13.434 -5.620 109 HB3 GLN 14 HB3 GLN 14 -11.249 -14.021 -5.506 110 HG2 GLN 14 HG2 GLN 14 -10.838 -12.775 -3.557 111 HG3 GLN 14 HG3 GLN 14 -10.980 -14.459 -3.099 112 HE21 GLN 14 HE21 GLN 14 -8.597 -11.829 -3.674 113 HE22 GLN 14 HE22 GLN 14 -7.359 -12.548 -2.680 114 H GLY 15 H GLY 15 -8.588 -16.765 -7.305 115 HA2 GLY 15 HA2 GLY 15 -9.204 -18.069 -9.041 116 HA3 GLY 15 HA3 GLY 15 -10.885 -18.065 -8.468 117 H ILE 16 H ILE 16 -8.924 -15.154 -9.183 118 HA ILE 16 HA ILE 16 -10.696 -14.644 -11.518 119 HB ILE 16 HB ILE 16 -9.575 -12.842 -9.403 120 HG12 ILE 16 HG12 ILE 16 -12.536 -12.968 -9.980 121 HG13 ILE 16 HG13 ILE 16 -11.875 -14.390 -9.214 122 HG21 ILE 16 HG21 ILE 16 -11.196 -12.061 -11.855 123 HG22 ILE 16 HG22 ILE 16 -10.870 -11.031 -10.450 124 HG23 ILE 16 HG23 ILE 16 -9.525 -11.569 -11.456 125 HD11 ILE 16 HD11 ILE 16 -10.810 -12.777 -7.507 126 HD12 ILE 16 HD12 ILE 16 -11.996 -11.600 -8.155 127 HD13 ILE 16 HD13 ILE 16 -12.542 -13.120 -7.419 128 H THR 17 H THR 17 -9.689 -14.185 -13.377 129 HA THR 17 HA THR 17 -6.729 -14.000 -13.448 130 HB THR 17 HB THR 17 -8.882 -14.432 -15.566 131 HG1 THR 17 HG1 THR 17 -6.993 -16.341 -14.771 132 HG21 THR 17 HG21 THR 17 -7.006 -15.088 -17.046 133 HG22 THR 17 HG22 THR 17 -5.853 -14.542 -15.803 134 HG23 THR 17 HG23 THR 17 -6.944 -13.386 -16.594 135 H LEU 18 H LEU 18 -5.843 -11.960 -13.698 136 HA LEU 18 HA LEU 18 -7.633 -9.760 -14.677 137 HB2 LEU 18 HB2 LEU 18 -4.924 -9.762 -13.311 138 HB3 LEU 18 HB3 LEU 18 -5.568 -8.355 -14.203 139 HG LEU 18 HG LEU 18 -7.009 -9.644 -11.875 140 HD11 LEU 18 HD11 LEU 18 -5.614 -6.966 -11.664 141 HD12 LEU 18 HD12 LEU 18 -4.665 -8.426 -11.502 142 HD13 LEU 18 HD13 LEU 18 -6.005 -8.174 -10.408 143 HD21 LEU 18 HD21 LEU 18 -7.699 -7.580 -13.853 144 HD22 LEU 18 HD22 LEU 18 -7.748 -6.920 -12.237 145 HD23 LEU 18 HD23 LEU 18 -8.703 -8.366 -12.628 146 H PHE 19 H PHE 19 -7.499 -9.301 -16.824 147 HA PHE 19 HA PHE 19 -5.011 -9.728 -18.299 148 HB2 PHE 19 HB2 PHE 19 -5.892 -11.066 -19.950 149 HB3 PHE 19 HB3 PHE 19 -6.554 -11.849 -18.509 150 HD1 PHE 19 HD1 PHE 19 -7.291 -9.881 -21.562 151 HD2 PHE 19 HD2 PHE 19 -9.058 -11.667 -18.032 152 HE1 PHE 19 HE1 PHE 19 -9.503 -9.711 -22.586 153 HE2 PHE 19 HE2 PHE 19 -11.305 -11.194 -18.985 154 HZ PHE 19 HZ PHE 19 -11.540 -10.302 -21.278 155 H VAL 20 H VAL 20 -5.087 -8.118 -20.121 156 HA VAL 20 HA VAL 20 -7.263 -6.069 -19.794 157 HB VAL 20 HB VAL 20 -4.578 -6.203 -20.905 158 HG11 VAL 20 HG11 VAL 20 -5.750 -3.500 -20.574 159 HG12 VAL 20 HG12 VAL 20 -4.387 -4.055 -21.577 160 HG13 VAL 20 HG13 VAL 20 -6.013 -4.419 -22.067 161 HG21 VAL 20 HG21 VAL 20 -3.538 -5.123 -19.279 162 HG22 VAL 20 HG22 VAL 20 -5.039 -4.565 -18.490 163 HG23 VAL 20 HG23 VAL 20 -4.553 -6.263 -18.434 164 H SER 21 H SER 21 -8.284 -5.343 -21.590 165 HA SER 21 HA SER 21 -7.921 -6.644 -24.202 166 HB2 SER 21 HB2 SER 21 -9.905 -7.542 -22.513 167 HB3 SER 21 HB3 SER 21 -10.736 -6.187 -23.279 168 HG SER 21 HG SER 21 -9.401 -8.298 -24.649 169 H ASP 22 H ASP 22 -8.097 -5.086 -25.761 170 HA ASP 22 HA ASP 22 -8.041 -3.039 -26.704 171 HB2 ASP 22 HB2 ASP 22 -10.540 -2.548 -24.980 172 HB3 ASP 22 HB3 ASP 22 -10.176 -1.753 -26.496 173 H ASN 23 H ASN 23 -6.422 -3.303 -24.484 174 HA ASN 23 HA ASN 23 -5.043 -2.036 -23.173 175 HB2 ASN 23 HB2 ASN 23 -5.310 -0.567 -25.429 176 HB3 ASN 23 HB3 ASN 23 -5.967 0.597 -24.280 177 HD21 ASN 23 HD21 ASN 23 -3.325 -1.627 -24.873 178 HD22 ASN 23 HD22 ASN 23 -2.033 -0.689 -24.127 179 H LYS 24 H LYS 24 -7.573 -2.804 -22.199 180 HA LYS 24 HA LYS 24 -7.975 -0.732 -20.126 181 HB2 LYS 24 HB2 LYS 24 -9.696 -0.657 -22.013 182 HB3 LYS 24 HB3 LYS 24 -10.248 -2.250 -21.507 183 HG2 LYS 24 HG2 LYS 24 -10.126 0.273 -19.798 184 HG3 LYS 24 HG3 LYS 24 -11.573 -0.349 -20.604 185 HD2 LYS 24 HD2 LYS 24 -11.157 -2.476 -19.137 186 HD3 LYS 24 HD3 LYS 24 -10.140 -1.396 -18.146 187 HE2 LYS 24 HE2 LYS 24 -13.055 -0.924 -18.859 188 HE3 LYS 24 HE3 LYS 24 -12.472 -1.567 -17.322 189 HZ1 LYS 24 HZ1 LYS 24 -11.451 0.490 -16.832 190 HZ2 LYS 24 HZ2 LYS 24 -12.973 0.774 -17.315 191 HZ3 LYS 24 HZ3 LYS 24 -11.760 1.118 -18.366 192 H LEU 25 H LEU 25 -7.720 -1.679 -18.220 193 HA LEU 25 HA LEU 25 -6.985 -4.344 -17.792 194 HB2 LEU 25 HB2 LEU 25 -6.527 -2.548 -16.196 195 HB3 LEU 25 HB3 LEU 25 -8.251 -2.322 -15.901 196 HG LEU 25 HG LEU 25 -8.436 -4.597 -14.941 197 HD11 LEU 25 HD11 LEU 25 -6.248 -5.824 -14.437 198 HD12 LEU 25 HD12 LEU 25 -5.479 -4.798 -15.663 199 HD13 LEU 25 HD13 LEU 25 -6.792 -5.924 -16.102 200 HD21 LEU 25 HD21 LEU 25 -7.208 -4.180 -12.954 201 HD22 LEU 25 HD22 LEU 25 -7.787 -2.621 -13.582 202 HD23 LEU 25 HD23 LEU 25 -6.099 -3.069 -13.800 203 H LYS 26 H LYS 26 -8.093 -6.073 -18.202 204 HA LYS 26 HA LYS 26 -11.060 -6.021 -17.536 205 HB2 LYS 26 HB2 LYS 26 -9.608 -7.038 -19.856 206 HB3 LYS 26 HB3 LYS 26 -10.335 -8.370 -18.978 207 HG2 LYS 26 HG2 LYS 26 -11.911 -7.748 -20.527 208 HG3 LYS 26 HG3 LYS 26 -12.526 -7.068 -19.015 209 HD2 LYS 26 HD2 LYS 26 -11.646 -4.836 -19.653 210 HD3 LYS 26 HD3 LYS 26 -10.963 -5.504 -21.131 211 HE2 LYS 26 HE2 LYS 26 -13.891 -5.144 -20.405 212 HE3 LYS 26 HE3 LYS 26 -12.996 -4.423 -21.756 213 HZ1 LYS 26 HZ1 LYS 26 -13.850 -7.237 -21.438 214 HZ2 LYS 26 HZ2 LYS 26 -12.815 -6.761 -22.626 215 HZ3 LYS 26 HZ3 LYS 26 -14.333 -6.168 -22.589 216 H TYR 27 H TYR 27 -11.743 -8.389 -16.843 217 HA TYR 27 HA TYR 27 -9.798 -9.770 -15.219 218 HB2 TYR 27 HB2 TYR 27 -10.893 -9.473 -13.102 219 HB3 TYR 27 HB3 TYR 27 -10.596 -7.893 -13.771 220 HD1 TYR 27 HD1 TYR 27 -12.375 -6.383 -14.347 221 HD2 TYR 27 HD2 TYR 27 -13.178 -10.421 -13.094 222 HE1 TYR 27 HE1 TYR 27 -14.730 -5.768 -13.964 223 HE2 TYR 27 HE2 TYR 27 -15.590 -9.835 -12.743 224 HH TYR 27 HH TYR 27 -16.850 -6.575 -13.437 225 H LYS 28 H LYS 28 -10.650 -11.920 -14.756 226 HA LYS 28 HA LYS 28 -13.200 -12.690 -16.109 227 HB2 LYS 28 HB2 LYS 28 -10.396 -13.351 -16.798 228 HB3 LYS 28 HB3 LYS 28 -11.316 -14.800 -16.460 229 HG2 LYS 28 HG2 LYS 28 -12.599 -12.725 -18.223 230 HG3 LYS 28 HG3 LYS 28 -11.220 -13.608 -18.870 231 HD2 LYS 28 HD2 LYS 28 -13.614 -15.005 -17.652 232 HD3 LYS 28 HD3 LYS 28 -13.517 -14.566 -19.367 233 HE2 LYS 28 HE2 LYS 28 -11.344 -15.809 -19.537 234 HE3 LYS 28 HE3 LYS 28 -11.547 -16.347 -17.867 235 HZ1 LYS 28 HZ1 LYS 28 -12.381 -18.028 -19.356 236 HZ2 LYS 28 HZ2 LYS 28 -13.374 -16.957 -20.107 237 HZ3 LYS 28 HZ3 LYS 28 -13.650 -17.366 -18.530 238 H THR 29 H THR 29 -14.386 -14.286 -15.013 239 HA THR 29 HA THR 29 -13.225 -15.986 -13.001 240 HB THR 29 HB THR 29 -13.334 -14.039 -11.638 241 HG1 THR 29 HG1 THR 29 -15.651 -14.461 -10.629 242 HG21 THR 29 HG21 THR 29 -16.059 -13.417 -12.824 243 HG22 THR 29 HG22 THR 29 -14.561 -12.445 -12.920 244 HG23 THR 29 HG23 THR 29 -15.410 -12.631 -11.383 245 H ASN 30 H ASN 30 -15.038 -17.249 -12.062 246 HA ASN 30 HA ASN 30 -17.240 -17.718 -14.020 247 HB2 ASN 30 HB2 ASN 30 -15.780 -19.690 -12.232 248 HB3 ASN 30 HB3 ASN 30 -17.281 -20.045 -13.102 249 HD21 ASN 30 HD21 ASN 30 -14.739 -21.481 -13.589 250 HD22 ASN 30 HD22 ASN 30 -14.242 -20.977 -15.186 251 H ARG 31 H ARG 31 -16.677 -16.186 -11.159 252 HA ARG 31 HA ARG 31 -19.382 -16.684 -10.121 253 HB2 ARG 31 HB2 ARG 31 -18.558 -16.533 -7.863 254 HB3 ARG 31 HB3 ARG 31 -17.761 -17.867 -8.701 255 HG2 ARG 31 HG2 ARG 31 -16.303 -15.214 -8.564 256 HG3 ARG 31 HG3 ARG 31 -16.474 -16.101 -7.095 257 HD2 ARG 31 HD2 ARG 31 -15.353 -17.345 -9.620 258 HD3 ARG 31 HD3 ARG 31 -14.364 -16.510 -8.408 259 HE ARG 31 HE ARG 31 -15.811 -18.310 -6.924 260 HH11 ARG 31 HH11 ARG 31 -13.645 -18.626 -9.743 261 HH12 ARG 31 HH12 ARG 31 -12.872 -20.045 -9.197 262 HH21 ARG 31 HH21 ARG 31 -14.854 -20.263 -6.209 263 HH22 ARG 31 HH22 ARG 31 -13.573 -21.021 -7.102 264 H ASP 32 H ASP 32 -20.367 -14.864 -9.288 265 HA ASP 32 HA ASP 32 -19.210 -12.235 -10.099 266 HB2 ASP 32 HB2 ASP 32 -21.989 -13.327 -9.584 267 HB3 ASP 32 HB3 ASP 32 -21.696 -11.601 -9.400 268 H SER 33 H SER 33 -19.556 -14.138 -7.360 269 HA SER 33 HA SER 33 -20.144 -12.199 -5.284 270 HB2 SER 33 HB2 SER 33 -19.136 -15.054 -5.397 271 HB3 SER 33 HB3 SER 33 -19.291 -14.199 -3.863 272 HG SER 33 HG SER 33 -21.416 -14.519 -5.730 273 H ILE 34 H ILE 34 -17.483 -12.131 -7.101 274 HA ILE 34 HA ILE 34 -15.258 -12.388 -5.498 275 HB ILE 34 HB ILE 34 -14.134 -11.001 -7.154 276 HG12 ILE 34 HG12 ILE 34 -15.750 -10.116 -9.068 277 HG13 ILE 34 HG13 ILE 34 -16.895 -9.925 -7.763 278 HG21 ILE 34 HG21 ILE 34 -16.304 -12.590 -8.578 279 HG22 ILE 34 HG22 ILE 34 -14.622 -12.368 -9.046 280 HG23 ILE 34 HG23 ILE 34 -14.990 -13.351 -7.642 281 HD11 ILE 34 HD11 ILE 34 -15.479 -7.895 -8.347 282 HD12 ILE 34 HD12 ILE 34 -15.445 -8.340 -6.637 283 HD13 ILE 34 HD13 ILE 34 -14.073 -8.737 -7.695 284 HA PRO 35 HA PRO 35 -15.309 -9.185 -2.499 285 HB2 PRO 35 HB2 PRO 35 -12.723 -8.535 -2.159 286 HB3 PRO 35 HB3 PRO 35 -13.378 -10.126 -1.689 287 HG2 PRO 35 HG2 PRO 35 -12.012 -9.364 -4.283 288 HG3 PRO 35 HG3 PRO 35 -11.553 -10.706 -3.184 289 HD2 PRO 35 HD2 PRO 35 -13.120 -11.142 -5.339 290 HD3 PRO 35 HD3 PRO 35 -13.542 -11.911 -3.783 291 H SER 36 H SER 36 -15.819 -7.126 -2.564 292 HA SER 36 HA SER 36 -15.830 -5.546 -4.900 293 HB2 SER 36 HB2 SER 36 -15.934 -4.489 -2.057 294 HB3 SER 36 HB3 SER 36 -16.750 -3.849 -3.490 295 HG SER 36 HG SER 36 -17.835 -6.020 -3.511 296 H GLU 37 H GLU 37 -13.380 -5.895 -2.423 297 HA GLU 37 HA GLU 37 -11.939 -3.491 -2.819 298 HB2 GLU 37 HB2 GLU 37 -10.224 -4.469 -1.575 299 HB3 GLU 37 HB3 GLU 37 -11.682 -5.273 -0.969 300 HG2 GLU 37 HG2 GLU 37 -11.117 -7.214 -2.499 301 HG3 GLU 37 HG3 GLU 37 -9.618 -6.388 -2.920 302 H LEU 38 H LEU 38 -12.029 -6.450 -4.770 303 HA LEU 38 HA LEU 38 -9.536 -5.980 -6.136 304 HB2 LEU 38 HB2 LEU 38 -11.890 -7.792 -6.428 305 HB3 LEU 38 HB3 LEU 38 -11.055 -7.430 -7.921 306 HG LEU 38 HG LEU 38 -9.001 -8.300 -7.168 307 HD11 LEU 38 HD11 LEU 38 -8.682 -9.287 -4.842 308 HD12 LEU 38 HD12 LEU 38 -10.147 -8.413 -4.337 309 HD13 LEU 38 HD13 LEU 38 -8.736 -7.533 -4.891 310 HD21 LEU 38 HD21 LEU 38 -9.621 -10.632 -6.505 311 HD22 LEU 38 HD22 LEU 38 -10.557 -9.971 -7.856 312 HD23 LEU 38 HD23 LEU 38 -11.282 -10.070 -6.249 313 H LEU 39 H LEU 39 -12.899 -5.225 -6.979 314 HA LEU 39 HA LEU 39 -12.256 -3.926 -9.440 315 HB2 LEU 39 HB2 LEU 39 -14.577 -3.648 -7.512 316 HB3 LEU 39 HB3 LEU 39 -14.515 -2.724 -9.008 317 HG LEU 39 HG LEU 39 -14.111 -5.732 -9.132 318 HD11 LEU 39 HD11 LEU 39 -16.551 -6.023 -9.398 319 HD12 LEU 39 HD12 LEU 39 -16.760 -4.303 -8.979 320 HD13 LEU 39 HD13 LEU 39 -16.115 -5.439 -7.779 321 HD21 LEU 39 HD21 LEU 39 -15.128 -5.465 -11.343 322 HD22 LEU 39 HD22 LEU 39 -13.758 -4.349 -11.177 323 HD23 LEU 39 HD23 LEU 39 -15.419 -3.737 -11.037 324 H GLU 40 H GLU 40 -12.184 -2.800 -6.135 325 HA GLU 40 HA GLU 40 -11.860 0.002 -6.742 326 HB2 GLU 40 HB2 GLU 40 -11.271 -1.636 -4.243 327 HB3 GLU 40 HB3 GLU 40 -11.205 0.118 -4.305 328 HG2 GLU 40 HG2 GLU 40 -13.737 -1.403 -5.060 329 HG3 GLU 40 HG3 GLU 40 -13.340 -0.998 -3.399 330 H GLU 41 H GLU 41 -9.497 -2.463 -5.527 331 HA GLU 41 HA GLU 41 -7.249 -0.829 -5.843 332 HB2 GLU 41 HB2 GLU 41 -7.582 -3.262 -4.737 333 HB3 GLU 41 HB3 GLU 41 -6.976 -3.794 -6.329 334 HG2 GLU 41 HG2 GLU 41 -5.131 -3.625 -4.822 335 HG3 GLU 41 HG3 GLU 41 -4.990 -2.379 -6.056 336 H TRP 42 H TRP 42 -8.831 -3.018 -8.149 337 HA TRP 42 HA TRP 42 -6.902 -2.874 -10.209 338 HB2 TRP 42 HB2 TRP 42 -9.911 -3.153 -10.313 339 HB3 TRP 42 HB3 TRP 42 -8.882 -3.331 -11.713 340 HD1 TRP 42 HD1 TRP 42 -6.759 -5.058 -9.554 341 HE1 TRP 42 HE1 TRP 42 -7.385 -7.473 -9.039 342 HE3 TRP 42 HE3 TRP 42 -11.564 -5.008 -11.260 343 HZ2 TRP 42 HZ2 TRP 42 -9.552 -9.292 -9.744 344 HZ3 TRP 42 HZ3 TRP 42 -12.938 -7.077 -11.215 345 HH2 TRP 42 HH2 TRP 42 -11.914 -9.207 -10.505 346 H LYS 43 H LYS 43 -9.612 -0.697 -9.395 347 HA LYS 43 HA LYS 43 -9.329 0.915 -11.835 348 HB2 LYS 43 HB2 LYS 43 -11.472 0.855 -10.493 349 HB3 LYS 43 HB3 LYS 43 -10.620 1.576 -9.139 350 HG2 LYS 43 HG2 LYS 43 -11.760 3.366 -10.150 351 HG3 LYS 43 HG3 LYS 43 -10.075 3.592 -10.672 352 HD2 LYS 43 HD2 LYS 43 -10.545 2.665 -12.848 353 HD3 LYS 43 HD3 LYS 43 -12.162 2.181 -12.314 354 HE2 LYS 43 HE2 LYS 43 -12.732 4.579 -11.906 355 HE3 LYS 43 HE3 LYS 43 -11.110 5.041 -12.426 356 HZ1 LYS 43 HZ1 LYS 43 -12.605 5.365 -14.222 357 HZ2 LYS 43 HZ2 LYS 43 -13.228 3.856 -14.115 358 HZ3 LYS 43 HZ3 LYS 43 -11.695 4.063 -14.642 359 H GLN 44 H GLN 44 -8.239 1.105 -8.504 360 HA GLN 44 HA GLN 44 -7.048 3.708 -8.565 361 HB2 GLN 44 HB2 GLN 44 -6.499 1.201 -6.948 362 HB3 GLN 44 HB3 GLN 44 -5.665 2.713 -6.630 363 HG2 GLN 44 HG2 GLN 44 -7.599 3.769 -5.800 364 HG3 GLN 44 HG3 GLN 44 -8.688 2.689 -6.667 365 HE21 GLN 44 HE21 GLN 44 -5.926 1.493 -4.688 366 HE22 GLN 44 HE22 GLN 44 -6.916 0.509 -3.675 367 H HIS 45 H HIS 45 -5.658 0.450 -9.121 368 HA HIS 45 HA HIS 45 -3.241 1.676 -10.226 369 HB2 HIS 45 HB2 HIS 45 -3.859 -1.144 -9.267 370 HB3 HIS 45 HB3 HIS 45 -2.283 -0.601 -9.819 371 HD1 HIS 45 HD1 HIS 45 -0.867 0.948 -8.199 372 HD2 HIS 45 HD2 HIS 45 -4.709 -0.079 -6.809 373 HE1 HIS 45 HE1 HIS 45 -1.016 1.766 -5.816 374 H LYS 46 H LYS 46 -5.784 1.431 -11.785 375 HA LYS 46 HA LYS 46 -5.659 -0.702 -13.616 376 HB2 LYS 46 HB2 LYS 46 -7.147 0.651 -15.091 377 HB3 LYS 46 HB3 LYS 46 -7.677 0.537 -13.438 378 HG2 LYS 46 HG2 LYS 46 -8.100 2.716 -13.630 379 HG3 LYS 46 HG3 LYS 46 -6.414 2.822 -13.124 380 HD2 LYS 46 HD2 LYS 46 -6.752 4.357 -14.837 381 HD3 LYS 46 HD3 LYS 46 -5.698 3.069 -15.442 382 HE2 LYS 46 HE2 LYS 46 -7.713 2.074 -16.604 383 HE3 LYS 46 HE3 LYS 46 -8.632 3.499 -16.056 384 HZ1 LYS 46 HZ1 LYS 46 -6.655 4.742 -17.151 385 HZ2 LYS 46 HZ2 LYS 46 -7.836 4.165 -18.130 386 HZ3 LYS 46 HZ3 LYS 46 -6.426 3.370 -18.013 387 H GLN 47 H GLN 47 -3.941 2.400 -13.699 388 HA GLN 47 HA GLN 47 -3.165 2.103 -16.408 389 HB2 GLN 47 HB2 GLN 47 -3.212 4.238 -15.074 390 HB3 GLN 47 HB3 GLN 47 -1.820 3.671 -14.178 391 HG2 GLN 47 HG2 GLN 47 -1.114 5.217 -15.959 392 HG3 GLN 47 HG3 GLN 47 -0.511 3.602 -16.351 393 HE21 GLN 47 HE21 GLN 47 -1.434 2.467 -18.149 394 HE22 GLN 47 HE22 GLN 47 -2.571 3.193 -19.242 395 H GLU 48 H GLU 48 -1.369 1.420 -13.372 396 HA GLU 48 HA GLU 48 0.898 0.323 -14.802 397 HB2 GLU 48 HB2 GLU 48 1.669 -0.450 -12.580 398 HB3 GLU 48 HB3 GLU 48 1.262 1.256 -12.647 399 HG2 GLU 48 HG2 GLU 48 -1.062 0.546 -11.684 400 HG3 GLU 48 HG3 GLU 48 -0.274 -0.989 -11.295 401 H LEU 49 H LEU 49 -2.097 -1.085 -13.455 402 HA LEU 49 HA LEU 49 -1.253 -3.795 -13.723 403 HB2 LEU 49 HB2 LEU 49 -3.925 -2.385 -13.670 404 HB3 LEU 49 HB3 LEU 49 -3.898 -4.089 -14.060 405 HG LEU 49 HG LEU 49 -2.533 -3.086 -11.539 406 HD11 LEU 49 HD11 LEU 49 -5.385 -4.132 -11.720 407 HD12 LEU 49 HD12 LEU 49 -4.976 -2.403 -11.555 408 HD13 LEU 49 HD13 LEU 49 -4.553 -3.551 -10.285 409 HD21 LEU 49 HD21 LEU 49 -2.008 -5.398 -12.322 410 HD22 LEU 49 HD22 LEU 49 -3.735 -5.773 -12.395 411 HD23 LEU 49 HD23 LEU 49 -2.965 -5.433 -10.840 412 H ILE 50 H ILE 50 -2.588 -1.555 -16.072 413 HA ILE 50 HA ILE 50 -2.993 -3.590 -18.093 414 HB ILE 50 HB ILE 50 -2.855 -0.541 -18.288 415 HG12 ILE 50 HG12 ILE 50 -5.213 -2.395 -18.755 416 HG13 ILE 50 HG13 ILE 50 -4.801 -1.834 -17.152 417 HG21 ILE 50 HG21 ILE 50 -3.354 -2.586 -20.464 418 HG22 ILE 50 HG22 ILE 50 -3.826 -0.879 -20.617 419 HG23 ILE 50 HG23 ILE 50 -2.133 -1.324 -20.452 420 HD11 ILE 50 HD11 ILE 50 -5.638 -0.167 -19.526 421 HD12 ILE 50 HD12 ILE 50 -6.484 -0.365 -17.981 422 HD13 ILE 50 HD13 ILE 50 -4.967 0.546 -18.029 423 H ASP 51 H ASP 51 -0.529 -1.094 -17.512 424 HA ASP 51 HA ASP 51 1.199 -1.539 -19.645 425 HB2 ASP 51 HB2 ASP 51 1.267 0.261 -17.894 426 HB3 ASP 51 HB3 ASP 51 1.928 -0.895 -16.756 427 H PHE 52 H PHE 52 1.119 -3.199 -16.494 428 HA PHE 52 HA PHE 52 3.347 -4.938 -17.094 429 HB2 PHE 52 HB2 PHE 52 2.869 -4.396 -14.830 430 HB3 PHE 52 HB3 PHE 52 1.168 -4.825 -14.996 431 HD1 PHE 52 HD1 PHE 52 4.555 -6.474 -15.367 432 HD2 PHE 52 HD2 PHE 52 0.442 -6.875 -14.106 433 HE1 PHE 52 HE1 PHE 52 5.022 -8.753 -14.548 434 HE2 PHE 52 HE2 PHE 52 0.939 -9.167 -13.261 435 HZ PHE 52 HZ PHE 52 3.204 -10.098 -13.482 436 H LEU 53 H LEU 53 -0.243 -5.361 -17.062 437 HA LEU 53 HA LEU 53 -0.023 -8.133 -17.715 438 HB2 LEU 53 HB2 LEU 53 -2.242 -6.139 -17.751 439 HB3 LEU 53 HB3 LEU 53 -2.542 -7.782 -18.311 440 HG LEU 53 HG LEU 53 -1.430 -7.190 -15.541 441 HD11 LEU 53 HD11 LEU 53 -4.297 -7.793 -16.305 442 HD12 LEU 53 HD12 LEU 53 -3.672 -6.172 -15.924 443 HD13 LEU 53 HD13 LEU 53 -3.634 -7.425 -14.679 444 HD21 LEU 53 HD21 LEU 53 -2.304 -9.501 -15.071 445 HD22 LEU 53 HD22 LEU 53 -0.960 -9.460 -16.219 446 HD23 LEU 53 HD23 LEU 53 -2.613 -9.683 -16.809 447 H THR 54 H THR 54 -0.121 -5.317 -19.745 448 HA THR 54 HA THR 54 -0.644 -6.999 -22.067 449 HB THR 54 HB THR 54 -1.552 -4.636 -21.515 450 HG1 THR 54 HG1 THR 54 -0.745 -5.412 -24.085 451 HG21 THR 54 HG21 THR 54 -0.402 -2.686 -22.144 452 HG22 THR 54 HG22 THR 54 0.967 -3.627 -22.814 453 HG23 THR 54 HG23 THR 54 0.661 -3.593 -21.075 454 H GLN 55 H GLN 55 2.182 -5.363 -20.600 455 HA GLN 55 HA GLN 55 3.782 -5.954 -22.936 456 HB2 GLN 55 HB2 GLN 55 5.615 -5.181 -21.655 457 HB3 GLN 55 HB3 GLN 55 4.227 -4.266 -21.098 458 HG2 GLN 55 HG2 GLN 55 5.001 -4.795 -19.021 459 HG3 GLN 55 HG3 GLN 55 4.121 -6.264 -19.292 460 HE21 GLN 55 HE21 GLN 55 5.307 -8.235 -19.296 461 HE22 GLN 55 HE22 GLN 55 7.051 -8.293 -19.237 462 H LEU 56 H LEU 56 2.798 -7.796 -20.121 463 HA LEU 56 HA LEU 56 4.645 -9.985 -20.676 464 HB2 LEU 56 HB2 LEU 56 4.158 -10.684 -18.634 465 HB3 LEU 56 HB3 LEU 56 3.559 -9.034 -18.487 466 HG LEU 56 HG LEU 56 1.230 -9.987 -18.971 467 HD11 LEU 56 HD11 LEU 56 2.730 -12.541 -18.240 468 HD12 LEU 56 HD12 LEU 56 1.735 -12.274 -19.664 469 HD13 LEU 56 HD13 LEU 56 0.962 -12.367 -18.092 470 HD21 LEU 56 HD21 LEU 56 0.931 -10.535 -16.618 471 HD22 LEU 56 HD22 LEU 56 2.006 -9.143 -16.782 472 HD23 LEU 56 HD23 LEU 56 2.715 -10.722 -16.435 473 H GLU 57 H GLU 57 1.470 -9.089 -21.675 474 HA GLU 57 HA GLU 57 0.313 -11.601 -22.282 475 HB2 GLU 57 HB2 GLU 57 -0.909 -9.479 -22.349 476 HB3 GLU 57 HB3 GLU 57 0.013 -8.955 -23.741 477 HG2 GLU 57 HG2 GLU 57 -1.435 -11.573 -24.025 478 HG3 GLU 57 HG3 GLU 57 -2.448 -10.166 -23.763 479 H SER 58 H SER 58 2.640 -9.709 -24.223 480 HA SER 58 HA SER 58 2.562 -11.492 -26.471 481 HB2 SER 58 HB2 SER 58 4.913 -9.892 -25.434 482 HB3 SER 58 HB3 SER 58 4.634 -10.409 -27.113 483 HG SER 58 HG SER 58 2.864 -9.072 -27.232 484 H GLU 59 H GLU 59 3.995 -11.891 -23.354 485 HA GLU 59 HA GLU 59 5.982 -13.894 -24.164 486 HB2 GLU 59 HB2 GLU 59 5.264 -12.959 -21.361 487 HB3 GLU 59 HB3 GLU 59 6.744 -13.696 -21.911 488 HG2 GLU 59 HG2 GLU 59 5.759 -10.927 -22.665 489 HG3 GLU 59 HG3 GLU 59 7.011 -11.290 -21.489 490 H GLU 60 H GLU 60 2.809 -13.949 -23.774 491 HA GLU 60 HA GLU 60 2.607 -16.644 -22.467 492 HB2 GLU 60 HB2 GLU 60 0.545 -14.423 -22.745 493 HB3 GLU 60 HB3 GLU 60 0.228 -16.021 -22.084 494 HG2 GLU 60 HG2 GLU 60 2.314 -14.147 -20.893 495 HG3 GLU 60 HG3 GLU 60 0.627 -14.161 -20.405 496 H GLU 61 H GLU 61 3.331 -15.995 -25.324 497 HA GLU 61 HA GLU 61 1.627 -17.882 -26.640 498 HB2 GLU 61 HB2 GLU 61 1.237 -16.251 -28.534 499 HB3 GLU 61 HB3 GLU 61 0.297 -15.954 -27.080 500 HG2 GLU 61 HG2 GLU 61 1.729 -14.087 -26.462 501 HG3 GLU 61 HG3 GLU 61 2.876 -14.500 -27.745 502 H SER 62 H SER 62 2.594 -18.207 -28.824 503 HA SER 62 HA SER 62 5.497 -17.668 -29.131 504 HB2 SER 62 HB2 SER 62 5.840 -20.150 -29.543 505 HB3 SER 62 HB3 SER 62 5.515 -19.735 -27.851 506 HG SER 62 HG SER 62 3.501 -20.435 -29.711 Start of MODEL 6 1 H1 MET 1 H MET 1 3.130 1.095 0.282 2 HA MET 1 HA MET 1 1.482 0.946 -1.480 3 HB2 MET 1 HB2 MET 1 3.777 2.269 -1.769 4 HB3 MET 1 HB3 MET 1 4.119 1.007 -2.952 5 HG2 MET 1 HG2 MET 1 1.895 1.585 -4.057 6 HG3 MET 1 HG3 MET 1 1.805 2.963 -2.949 7 HE1 MET 1 HE1 MET 1 1.406 3.966 -5.509 8 HE2 MET 1 HE2 MET 1 2.024 5.128 -4.319 9 HE3 MET 1 HE3 MET 1 2.713 5.087 -5.957 10 H LYS 2 H LYS 2 0.492 -0.395 -3.074 11 HA LYS 2 HA LYS 2 1.778 -3.066 -3.458 12 HB2 LYS 2 HB2 LYS 2 -1.013 -2.051 -4.190 13 HB3 LYS 2 HB3 LYS 2 -0.375 -3.642 -4.542 14 HG2 LYS 2 HG2 LYS 2 -1.467 -4.214 -2.669 15 HG3 LYS 2 HG3 LYS 2 0.078 -3.802 -1.950 16 HD2 LYS 2 HD2 LYS 2 -1.694 -2.897 -0.601 17 HD3 LYS 2 HD3 LYS 2 -0.889 -1.515 -1.367 18 HE2 LYS 2 HE2 LYS 2 -2.659 -1.265 -2.982 19 HE3 LYS 2 HE3 LYS 2 -3.309 -2.873 -2.622 20 HZ1 LYS 2 HZ1 LYS 2 -4.610 -1.109 -1.721 21 HZ2 LYS 2 HZ2 LYS 2 -3.366 -0.640 -0.707 22 HZ3 LYS 2 HZ3 LYS 2 -4.073 -2.138 -0.563 23 H ASN 3 H ASN 3 1.181 -3.819 -5.937 24 HA ASN 3 HA ASN 3 1.650 -1.738 -7.838 25 HB2 ASN 3 HB2 ASN 3 3.650 -2.437 -8.703 26 HB3 ASN 3 HB3 ASN 3 3.976 -2.617 -6.985 27 HD21 ASN 3 HD21 ASN 3 4.104 -4.821 -6.118 28 HD22 ASN 3 HD22 ASN 3 4.103 -6.196 -7.180 29 H ALA 4 H ALA 4 1.552 -2.728 -10.046 30 HA ALA 4 HA ALA 4 -0.779 -3.994 -10.587 31 HB1 ALA 4 HB1 ALA 4 0.577 -3.016 -12.328 32 HB2 ALA 4 HB2 ALA 4 1.846 -4.245 -12.113 33 HB3 ALA 4 HB3 ALA 4 0.266 -4.708 -12.746 34 H ALA 5 H ALA 5 2.310 -5.864 -10.320 35 HA ALA 5 HA ALA 5 1.105 -8.390 -10.752 36 HB1 ALA 5 HB1 ALA 5 3.565 -7.902 -10.867 37 HB2 ALA 5 HB2 ALA 5 3.596 -7.766 -9.091 38 HB3 ALA 5 HB3 ALA 5 3.171 -9.307 -9.860 39 H LYS 6 H LYS 6 1.560 -6.474 -7.771 40 HA LYS 6 HA LYS 6 1.093 -8.444 -5.825 41 HB2 LYS 6 HB2 LYS 6 1.655 -5.796 -5.857 42 HB3 LYS 6 HB3 LYS 6 -0.044 -5.672 -5.454 43 HG2 LYS 6 HG2 LYS 6 2.000 -7.282 -3.895 44 HG3 LYS 6 HG3 LYS 6 1.628 -5.597 -3.605 45 HD2 LYS 6 HD2 LYS 6 0.386 -6.548 -2.001 46 HD3 LYS 6 HD3 LYS 6 -0.845 -6.450 -3.271 47 HE2 LYS 6 HE2 LYS 6 -0.749 -8.789 -3.675 48 HE3 LYS 6 HE3 LYS 6 0.866 -8.946 -2.959 49 HZ1 LYS 6 HZ1 LYS 6 -0.055 -8.601 -0.830 50 HZ2 LYS 6 HZ2 LYS 6 -0.912 -9.788 -1.505 51 HZ3 LYS 6 HZ3 LYS 6 -1.562 -8.290 -1.405 52 H ILE 7 H ILE 7 -1.233 -6.315 -7.519 53 HA ILE 7 HA ILE 7 -3.514 -7.452 -6.176 54 HB ILE 7 HB ILE 7 -3.803 -6.022 -8.817 55 HG12 ILE 7 HG12 ILE 7 -4.038 -3.975 -6.975 56 HG13 ILE 7 HG13 ILE 7 -2.641 -4.825 -6.328 57 HG21 ILE 7 HG21 ILE 7 -5.820 -5.120 -7.663 58 HG22 ILE 7 HG22 ILE 7 -5.809 -6.883 -7.782 59 HG23 ILE 7 HG23 ILE 7 -5.414 -6.093 -6.241 60 HD11 ILE 7 HD11 ILE 7 -1.835 -3.181 -7.876 61 HD12 ILE 7 HD12 ILE 7 -1.734 -4.733 -8.715 62 HD13 ILE 7 HD13 ILE 7 -3.055 -3.632 -9.098 63 H VAL 8 H VAL 8 -1.946 -8.091 -9.348 64 HA VAL 8 HA VAL 8 -3.852 -9.832 -10.454 65 HB VAL 8 HB VAL 8 -0.828 -9.745 -10.585 66 HG11 VAL 8 HG11 VAL 8 -0.948 -11.124 -12.588 67 HG12 VAL 8 HG12 VAL 8 -1.482 -12.039 -11.199 68 HG13 VAL 8 HG13 VAL 8 -2.692 -11.387 -12.339 69 HG21 VAL 8 HG21 VAL 8 -1.077 -8.595 -12.646 70 HG22 VAL 8 HG22 VAL 8 -2.786 -9.010 -12.789 71 HG23 VAL 8 HG23 VAL 8 -2.263 -7.829 -11.584 72 H ASN 9 H ASN 9 -1.082 -10.693 -8.358 73 HA ASN 9 HA ASN 9 -1.601 -13.443 -8.213 74 HB2 ASN 9 HB2 ASN 9 0.279 -13.377 -7.058 75 HB3 ASN 9 HB3 ASN 9 0.234 -11.622 -7.117 76 HD21 ASN 9 HD21 ASN 9 -0.422 -10.463 -5.158 77 HD22 ASN 9 HD22 ASN 9 -0.356 -11.352 -3.630 78 H GLU 10 H GLU 10 -2.999 -10.815 -6.238 79 HA GLU 10 HA GLU 10 -4.343 -12.682 -4.467 80 HB2 GLU 10 HB2 GLU 10 -4.399 -9.710 -4.922 81 HB3 GLU 10 HB3 GLU 10 -5.787 -10.432 -4.098 82 HG2 GLU 10 HG2 GLU 10 -2.930 -10.935 -3.214 83 HG3 GLU 10 HG3 GLU 10 -3.872 -9.560 -2.650 84 H ALA 11 H ALA 11 -5.168 -11.113 -7.539 85 HA ALA 11 HA ALA 11 -7.963 -11.815 -7.396 86 HB1 ALA 11 HB1 ALA 11 -6.091 -11.118 -9.676 87 HB2 ALA 11 HB2 ALA 11 -7.777 -11.595 -9.968 88 HB3 ALA 11 HB3 ALA 11 -7.395 -10.167 -8.975 89 H LEU 12 H LEU 12 -5.050 -13.472 -8.668 90 HA LEU 12 HA LEU 12 -6.395 -15.816 -9.583 91 HB2 LEU 12 HB2 LEU 12 -3.654 -15.614 -8.247 92 HB3 LEU 12 HB3 LEU 12 -4.191 -16.987 -9.200 93 HG LEU 12 HG LEU 12 -3.586 -14.186 -10.250 94 HD11 LEU 12 HD11 LEU 12 -2.101 -16.831 -10.613 95 HD12 LEU 12 HD12 LEU 12 -1.587 -15.497 -9.560 96 HD13 LEU 12 HD13 LEU 12 -1.656 -15.262 -11.308 97 HD21 LEU 12 HD21 LEU 12 -5.379 -15.282 -11.550 98 HD22 LEU 12 HD22 LEU 12 -4.427 -16.767 -11.688 99 HD23 LEU 12 HD23 LEU 12 -3.887 -15.279 -12.494 100 H ASN 13 H ASN 13 -5.209 -14.934 -6.325 101 HA ASN 13 HA ASN 13 -5.595 -17.440 -5.049 102 HB2 ASN 13 HB2 ASN 13 -5.826 -14.604 -3.970 103 HB3 ASN 13 HB3 ASN 13 -6.133 -16.001 -2.986 104 HD21 ASN 13 HD21 ASN 13 -4.194 -14.129 -2.503 105 HD22 ASN 13 HD22 ASN 13 -2.765 -15.174 -2.289 106 H GLN 14 H GLN 14 -7.853 -14.728 -5.590 107 HA GLN 14 HA GLN 14 -10.053 -16.088 -4.263 108 HB2 GLN 14 HB2 GLN 14 -9.605 -13.429 -5.602 109 HB3 GLN 14 HB3 GLN 14 -11.255 -14.003 -5.315 110 HG2 GLN 14 HG2 GLN 14 -10.572 -12.602 -3.473 111 HG3 GLN 14 HG3 GLN 14 -10.833 -14.255 -2.934 112 HE21 GLN 14 HE21 GLN 14 -8.322 -11.794 -3.549 113 HE22 GLN 14 HE22 GLN 14 -7.049 -12.618 -2.679 114 H GLY 15 H GLY 15 -8.592 -16.717 -7.146 115 HA2 GLY 15 HA2 GLY 15 -9.204 -18.164 -8.792 116 HA3 GLY 15 HA3 GLY 15 -10.847 -18.244 -8.121 117 H ILE 16 H ILE 16 -8.865 -15.481 -9.229 118 HA ILE 16 HA ILE 16 -10.776 -14.923 -11.458 119 HB ILE 16 HB ILE 16 -9.431 -13.054 -9.517 120 HG12 ILE 16 HG12 ILE 16 -12.455 -13.169 -9.818 121 HG13 ILE 16 HG13 ILE 16 -11.728 -14.484 -8.951 122 HG21 ILE 16 HG21 ILE 16 -9.590 -11.853 -11.642 123 HG22 ILE 16 HG22 ILE 16 -11.342 -12.164 -11.700 124 HG23 ILE 16 HG23 ILE 16 -10.646 -11.179 -10.424 125 HD11 ILE 16 HD11 ILE 16 -11.813 -11.626 -8.196 126 HD12 ILE 16 HD12 ILE 16 -12.253 -13.065 -7.263 127 HD13 ILE 16 HD13 ILE 16 -10.539 -12.701 -7.522 128 H THR 17 H THR 17 -9.782 -13.727 -13.230 129 HA THR 17 HA THR 17 -6.823 -14.048 -13.461 130 HB THR 17 HB THR 17 -9.038 -14.779 -15.424 131 HG1 THR 17 HG1 THR 17 -6.958 -16.441 -14.463 132 HG21 THR 17 HG21 THR 17 -7.223 -13.671 -16.631 133 HG22 THR 17 HG22 THR 17 -7.218 -15.408 -16.985 134 HG23 THR 17 HG23 THR 17 -6.036 -14.712 -15.849 135 H LEU 18 H LEU 18 -5.993 -12.019 -13.815 136 HA LEU 18 HA LEU 18 -7.788 -9.889 -14.850 137 HB2 LEU 18 HB2 LEU 18 -5.062 -9.927 -13.513 138 HB3 LEU 18 HB3 LEU 18 -5.657 -8.523 -14.469 139 HG LEU 18 HG LEU 18 -7.132 -9.722 -12.086 140 HD11 LEU 18 HD11 LEU 18 -5.788 -7.063 -11.816 141 HD12 LEU 18 HD12 LEU 18 -4.734 -8.477 -11.800 142 HD13 LEU 18 HD13 LEU 18 -6.049 -8.372 -10.637 143 HD21 LEU 18 HD21 LEU 18 -8.614 -8.460 -13.497 144 HD22 LEU 18 HD22 LEU 18 -7.434 -7.155 -13.699 145 HD23 LEU 18 HD23 LEU 18 -8.206 -7.400 -12.150 146 H PHE 19 H PHE 19 -7.501 -9.060 -16.887 147 HA PHE 19 HA PHE 19 -5.195 -9.739 -18.530 148 HB2 PHE 19 HB2 PHE 19 -6.344 -10.861 -20.243 149 HB3 PHE 19 HB3 PHE 19 -6.828 -11.720 -18.794 150 HD1 PHE 19 HD1 PHE 19 -7.938 -9.823 -21.702 151 HD2 PHE 19 HD2 PHE 19 -9.202 -11.212 -17.812 152 HE1 PHE 19 HE1 PHE 19 -10.321 -9.608 -22.376 153 HE2 PHE 19 HE2 PHE 19 -11.560 -10.770 -18.454 154 HZ PHE 19 HZ PHE 19 -12.128 -10.048 -20.747 155 H VAL 20 H VAL 20 -5.185 -8.037 -20.298 156 HA VAL 20 HA VAL 20 -7.261 -5.899 -19.877 157 HB VAL 20 HB VAL 20 -4.585 -6.158 -20.873 158 HG11 VAL 20 HG11 VAL 20 -5.701 -3.402 -20.745 159 HG12 VAL 20 HG12 VAL 20 -4.201 -4.000 -21.519 160 HG13 VAL 20 HG13 VAL 20 -5.758 -4.368 -22.219 161 HG21 VAL 20 HG21 VAL 20 -3.524 -5.233 -19.263 162 HG22 VAL 20 HG22 VAL 20 -4.962 -4.398 -18.572 163 HG23 VAL 20 HG23 VAL 20 -4.737 -6.153 -18.412 164 H SER 21 H SER 21 -8.400 -5.212 -21.527 165 HA SER 21 HA SER 21 -8.043 -6.328 -24.262 166 HB2 SER 21 HB2 SER 21 -9.670 -7.669 -22.838 167 HB3 SER 21 HB3 SER 21 -10.672 -6.215 -22.752 168 HG SER 21 HG SER 21 -10.106 -7.930 -24.912 169 H ASP 22 H ASP 22 -8.230 -4.664 -25.684 170 HA ASP 22 HA ASP 22 -8.277 -2.526 -26.467 171 HB2 ASP 22 HB2 ASP 22 -10.625 -2.991 -26.672 172 HB3 ASP 22 HB3 ASP 22 -10.916 -2.639 -24.974 173 H ASN 23 H ASN 23 -6.596 -2.877 -24.505 174 HA ASN 23 HA ASN 23 -5.204 -1.652 -23.125 175 HB2 ASN 23 HB2 ASN 23 -5.587 -0.144 -25.334 176 HB3 ASN 23 HB3 ASN 23 -6.354 0.943 -24.184 177 HD21 ASN 23 HD21 ASN 23 -3.581 -1.147 -24.572 178 HD22 ASN 23 HD22 ASN 23 -2.358 -0.099 -23.811 179 H LYS 24 H LYS 24 -7.627 -2.510 -22.073 180 HA LYS 24 HA LYS 24 -8.031 -0.547 -19.923 181 HB2 LYS 24 HB2 LYS 24 -9.852 -0.583 -21.809 182 HB3 LYS 24 HB3 LYS 24 -10.275 -2.163 -21.197 183 HG2 LYS 24 HG2 LYS 24 -11.752 -0.463 -20.258 184 HG3 LYS 24 HG3 LYS 24 -10.797 -1.224 -18.982 185 HD2 LYS 24 HD2 LYS 24 -11.023 1.278 -18.794 186 HD3 LYS 24 HD3 LYS 24 -9.362 0.689 -18.760 187 HE2 LYS 24 HE2 LYS 24 -9.725 2.769 -20.098 188 HE3 LYS 24 HE3 LYS 24 -8.913 1.482 -20.987 189 HZ1 LYS 24 HZ1 LYS 24 -11.821 1.958 -21.233 190 HZ2 LYS 24 HZ2 LYS 24 -10.837 1.136 -22.272 191 HZ3 LYS 24 HZ3 LYS 24 -10.737 2.765 -22.120 192 H LEU 25 H LEU 25 -7.761 -1.520 -18.057 193 HA LEU 25 HA LEU 25 -6.890 -4.218 -17.782 194 HB2 LEU 25 HB2 LEU 25 -6.315 -2.257 -16.362 195 HB3 LEU 25 HB3 LEU 25 -7.929 -2.192 -15.755 196 HG LEU 25 HG LEU 25 -5.984 -3.369 -14.513 197 HD11 LEU 25 HD11 LEU 25 -8.110 -2.935 -13.558 198 HD12 LEU 25 HD12 LEU 25 -7.597 -4.580 -13.152 199 HD13 LEU 25 HD13 LEU 25 -8.836 -4.340 -14.404 200 HD21 LEU 25 HD21 LEU 25 -5.847 -5.683 -14.541 201 HD22 LEU 25 HD22 LEU 25 -5.559 -5.106 -16.185 202 HD23 LEU 25 HD23 LEU 25 -7.124 -5.838 -15.752 203 H LYS 26 H LYS 26 -8.040 -5.899 -18.091 204 HA LYS 26 HA LYS 26 -10.970 -5.767 -17.221 205 HB2 LYS 26 HB2 LYS 26 -9.706 -6.904 -19.653 206 HB3 LYS 26 HB3 LYS 26 -10.698 -8.048 -18.783 207 HG2 LYS 26 HG2 LYS 26 -12.091 -7.105 -20.339 208 HG3 LYS 26 HG3 LYS 26 -12.562 -6.362 -18.804 209 HD2 LYS 26 HD2 LYS 26 -11.587 -4.251 -19.442 210 HD3 LYS 26 HD3 LYS 26 -10.537 -5.028 -20.646 211 HE2 LYS 26 HE2 LYS 26 -12.569 -5.674 -21.962 212 HE3 LYS 26 HE3 LYS 26 -13.543 -4.680 -20.888 213 HZ1 LYS 26 HZ1 LYS 26 -11.253 -3.661 -22.480 214 HZ2 LYS 26 HZ2 LYS 26 -12.338 -2.749 -21.650 215 HZ3 LYS 26 HZ3 LYS 26 -12.809 -3.576 -22.968 216 H TYR 27 H TYR 27 -11.824 -7.968 -16.589 217 HA TYR 27 HA TYR 27 -9.909 -9.617 -15.146 218 HB2 TYR 27 HB2 TYR 27 -10.857 -9.390 -12.968 219 HB3 TYR 27 HB3 TYR 27 -10.820 -7.774 -13.558 220 HD1 TYR 27 HD1 TYR 27 -12.971 -6.638 -14.301 221 HD2 TYR 27 HD2 TYR 27 -12.875 -10.539 -12.469 222 HE1 TYR 27 HE1 TYR 27 -15.374 -6.430 -13.741 223 HE2 TYR 27 HE2 TYR 27 -15.252 -10.316 -11.854 224 HH TYR 27 HH TYR 27 -17.285 -7.527 -12.776 225 H LYS 28 H LYS 28 -10.709 -11.783 -14.829 226 HA LYS 28 HA LYS 28 -13.267 -12.498 -16.142 227 HB2 LYS 28 HB2 LYS 28 -10.467 -13.198 -16.904 228 HB3 LYS 28 HB3 LYS 28 -11.442 -14.609 -16.584 229 HG2 LYS 28 HG2 LYS 28 -12.792 -12.577 -18.300 230 HG3 LYS 28 HG3 LYS 28 -11.308 -13.250 -18.971 231 HD2 LYS 28 HD2 LYS 28 -13.589 -14.970 -17.958 232 HD3 LYS 28 HD3 LYS 28 -13.413 -14.426 -19.643 233 HE2 LYS 28 HE2 LYS 28 -11.260 -15.506 -19.870 234 HE3 LYS 28 HE3 LYS 28 -11.213 -15.919 -18.169 235 HZ1 LYS 28 HZ1 LYS 28 -13.126 -17.354 -18.494 236 HZ2 LYS 28 HZ2 LYS 28 -11.865 -17.812 -19.438 237 HZ3 LYS 28 HZ3 LYS 28 -13.144 -17.027 -20.119 238 H THR 29 H THR 29 -14.176 -14.365 -15.147 239 HA THR 29 HA THR 29 -12.877 -15.811 -13.040 240 HB THR 29 HB THR 29 -13.173 -13.896 -11.692 241 HG1 THR 29 HG1 THR 29 -15.499 -14.446 -10.738 242 HG21 THR 29 HG21 THR 29 -15.927 -13.457 -12.900 243 HG22 THR 29 HG22 THR 29 -14.489 -12.416 -13.050 244 HG23 THR 29 HG23 THR 29 -15.283 -12.594 -11.487 245 H ASN 30 H ASN 30 -14.754 -17.052 -11.971 246 HA ASN 30 HA ASN 30 -16.772 -17.915 -14.001 247 HB2 ASN 30 HB2 ASN 30 -14.843 -19.514 -12.343 248 HB3 ASN 30 HB3 ASN 30 -16.492 -20.113 -12.451 249 HD21 ASN 30 HD21 ASN 30 -16.310 -21.838 -13.856 250 HD22 ASN 30 HD22 ASN 30 -15.609 -21.724 -15.465 251 H ARG 31 H ARG 31 -16.383 -16.203 -11.193 252 HA ARG 31 HA ARG 31 -19.110 -16.794 -10.250 253 HB2 ARG 31 HB2 ARG 31 -18.406 -16.486 -7.980 254 HB3 ARG 31 HB3 ARG 31 -17.478 -17.800 -8.687 255 HG2 ARG 31 HG2 ARG 31 -16.196 -15.059 -8.640 256 HG3 ARG 31 HG3 ARG 31 -16.487 -15.818 -7.090 257 HD2 ARG 31 HD2 ARG 31 -14.976 -17.158 -9.351 258 HD3 ARG 31 HD3 ARG 31 -14.223 -16.260 -8.020 259 HE ARG 31 HE ARG 31 -15.914 -18.075 -6.768 260 HH11 ARG 31 HH11 ARG 31 -13.030 -18.290 -8.905 261 HH12 ARG 31 HH12 ARG 31 -12.569 -19.830 -8.219 262 HH21 ARG 31 HH21 ARG 31 -15.120 -20.022 -5.859 263 HH22 ARG 31 HH22 ARG 31 -13.713 -20.778 -6.570 264 H ASP 32 H ASP 32 -20.110 -14.905 -9.307 265 HA ASP 32 HA ASP 32 -18.982 -12.317 -10.319 266 HB2 ASP 32 HB2 ASP 32 -21.815 -13.285 -9.803 267 HB3 ASP 32 HB3 ASP 32 -21.413 -11.576 -10.004 268 H SER 33 H SER 33 -19.574 -14.160 -7.617 269 HA SER 33 HA SER 33 -20.091 -12.263 -5.536 270 HB2 SER 33 HB2 SER 33 -20.763 -14.657 -5.730 271 HB3 SER 33 HB3 SER 33 -19.066 -15.139 -5.628 272 HG SER 33 HG SER 33 -20.635 -13.820 -3.659 273 H ILE 34 H ILE 34 -17.557 -11.759 -7.259 274 HA ILE 34 HA ILE 34 -15.287 -12.386 -5.595 275 HB ILE 34 HB ILE 34 -14.024 -10.969 -7.121 276 HG12 ILE 34 HG12 ILE 34 -15.336 -10.016 -9.160 277 HG13 ILE 34 HG13 ILE 34 -16.705 -9.941 -8.056 278 HG21 ILE 34 HG21 ILE 34 -14.423 -12.166 -9.165 279 HG22 ILE 34 HG22 ILE 34 -14.711 -13.262 -7.809 280 HG23 ILE 34 HG23 ILE 34 -16.082 -12.555 -8.707 281 HD11 ILE 34 HD11 ILE 34 -15.372 -7.830 -8.330 282 HD12 ILE 34 HD12 ILE 34 -15.518 -8.333 -6.644 283 HD13 ILE 34 HD13 ILE 34 -14.002 -8.620 -7.530 284 HA PRO 35 HA PRO 35 -15.611 -9.172 -2.559 285 HB2 PRO 35 HB2 PRO 35 -13.076 -8.524 -1.967 286 HB3 PRO 35 HB3 PRO 35 -13.749 -10.123 -1.576 287 HG2 PRO 35 HG2 PRO 35 -12.132 -9.362 -4.005 288 HG3 PRO 35 HG3 PRO 35 -11.813 -10.712 -2.877 289 HD2 PRO 35 HD2 PRO 35 -13.146 -11.107 -5.197 290 HD3 PRO 35 HD3 PRO 35 -13.721 -11.914 -3.718 291 H SER 36 H SER 36 -16.055 -6.990 -2.622 292 HA SER 36 HA SER 36 -15.753 -5.501 -4.961 293 HB2 SER 36 HB2 SER 36 -16.013 -4.309 -2.185 294 HB3 SER 36 HB3 SER 36 -16.715 -3.724 -3.706 295 HG SER 36 HG SER 36 -17.976 -5.754 -3.683 296 H GLU 37 H GLU 37 -13.505 -5.880 -2.302 297 HA GLU 37 HA GLU 37 -11.923 -3.601 -2.599 298 HB2 GLU 37 HB2 GLU 37 -10.351 -4.693 -1.239 299 HB3 GLU 37 HB3 GLU 37 -11.910 -5.428 -0.794 300 HG2 GLU 37 HG2 GLU 37 -11.310 -7.358 -2.328 301 HG3 GLU 37 HG3 GLU 37 -9.739 -6.596 -2.584 302 H LEU 38 H LEU 38 -12.093 -6.398 -4.664 303 HA LEU 38 HA LEU 38 -9.492 -6.011 -5.956 304 HB2 LEU 38 HB2 LEU 38 -11.870 -7.807 -6.254 305 HB3 LEU 38 HB3 LEU 38 -11.003 -7.468 -7.737 306 HG LEU 38 HG LEU 38 -8.980 -8.353 -6.946 307 HD11 LEU 38 HD11 LEU 38 -8.768 -7.603 -4.632 308 HD12 LEU 38 HD12 LEU 38 -8.681 -9.364 -4.659 309 HD13 LEU 38 HD13 LEU 38 -10.166 -8.554 -4.138 310 HD21 LEU 38 HD21 LEU 38 -11.230 -10.125 -5.930 311 HD22 LEU 38 HD22 LEU 38 -9.601 -10.664 -6.389 312 HD23 LEU 38 HD23 LEU 38 -10.683 -9.954 -7.607 313 H LEU 39 H LEU 39 -12.875 -5.225 -6.743 314 HA LEU 39 HA LEU 39 -12.383 -3.994 -9.236 315 HB2 LEU 39 HB2 LEU 39 -14.532 -3.376 -7.171 316 HB3 LEU 39 HB3 LEU 39 -14.567 -2.788 -8.823 317 HG LEU 39 HG LEU 39 -14.443 -5.760 -8.195 318 HD11 LEU 39 HD11 LEU 39 -16.426 -4.791 -7.070 319 HD12 LEU 39 HD12 LEU 39 -16.861 -5.891 -8.387 320 HD13 LEU 39 HD13 LEU 39 -16.973 -4.137 -8.621 321 HD21 LEU 39 HD21 LEU 39 -15.489 -4.255 -10.632 322 HD22 LEU 39 HD22 LEU 39 -15.408 -6.017 -10.433 323 HD23 LEU 39 HD23 LEU 39 -13.916 -5.074 -10.535 324 H GLU 40 H GLU 40 -12.014 -2.806 -5.997 325 HA GLU 40 HA GLU 40 -11.667 0.007 -6.664 326 HB2 GLU 40 HB2 GLU 40 -10.921 -1.597 -4.178 327 HB3 GLU 40 HB3 GLU 40 -10.878 0.167 -4.330 328 HG2 GLU 40 HG2 GLU 40 -13.337 0.030 -5.012 329 HG3 GLU 40 HG3 GLU 40 -13.320 -1.641 -4.513 330 H GLU 41 H GLU 41 -9.339 -2.516 -5.520 331 HA GLU 41 HA GLU 41 -7.131 -0.810 -5.999 332 HB2 GLU 41 HB2 GLU 41 -7.341 -2.997 -4.588 333 HB3 GLU 41 HB3 GLU 41 -6.815 -3.810 -6.074 334 HG2 GLU 41 HG2 GLU 41 -4.836 -3.322 -4.725 335 HG3 GLU 41 HG3 GLU 41 -4.820 -2.213 -6.102 336 H TRP 42 H TRP 42 -8.787 -3.084 -8.143 337 HA TRP 42 HA TRP 42 -6.867 -3.110 -10.232 338 HB2 TRP 42 HB2 TRP 42 -9.899 -3.327 -10.303 339 HB3 TRP 42 HB3 TRP 42 -8.856 -3.564 -11.667 340 HD1 TRP 42 HD1 TRP 42 -6.732 -5.243 -9.592 341 HE1 TRP 42 HE1 TRP 42 -7.293 -7.678 -9.084 342 HE3 TRP 42 HE3 TRP 42 -11.624 -5.235 -11.035 343 HZ2 TRP 42 HZ2 TRP 42 -9.519 -9.460 -9.483 344 HZ3 TRP 42 HZ3 TRP 42 -12.982 -7.319 -10.883 345 HH2 TRP 42 HH2 TRP 42 -11.937 -9.424 -10.137 346 H LYS 43 H LYS 43 -9.417 -0.819 -9.424 347 HA LYS 43 HA LYS 43 -9.090 0.761 -11.882 348 HB2 LYS 43 HB2 LYS 43 -11.213 0.592 -10.533 349 HB3 LYS 43 HB3 LYS 43 -10.430 1.497 -9.230 350 HG2 LYS 43 HG2 LYS 43 -10.132 3.441 -10.768 351 HG3 LYS 43 HG3 LYS 43 -10.862 2.489 -12.085 352 HD2 LYS 43 HD2 LYS 43 -12.894 2.203 -10.641 353 HD3 LYS 43 HD3 LYS 43 -12.180 3.317 -9.468 354 HE2 LYS 43 HE2 LYS 43 -12.089 5.098 -11.198 355 HE3 LYS 43 HE3 LYS 43 -12.794 3.984 -12.388 356 HZ1 LYS 43 HZ1 LYS 43 -14.079 4.961 -9.918 357 HZ2 LYS 43 HZ2 LYS 43 -14.743 3.833 -10.915 358 HZ3 LYS 43 HZ3 LYS 43 -14.508 5.355 -11.462 359 H GLN 44 H GLN 44 -7.911 0.788 -8.601 360 HA GLN 44 HA GLN 44 -6.731 3.424 -8.587 361 HB2 GLN 44 HB2 GLN 44 -6.205 0.918 -6.944 362 HB3 GLN 44 HB3 GLN 44 -5.349 2.433 -6.658 363 HG2 GLN 44 HG2 GLN 44 -7.184 3.654 -6.050 364 HG3 GLN 44 HG3 GLN 44 -8.352 2.609 -6.840 365 HE21 GLN 44 HE21 GLN 44 -5.976 1.050 -4.575 366 HE22 GLN 44 HE22 GLN 44 -7.175 0.861 -3.346 367 H HIS 45 H HIS 45 -5.475 0.198 -9.403 368 HA HIS 45 HA HIS 45 -2.958 1.424 -10.404 369 HB2 HIS 45 HB2 HIS 45 -3.732 -1.364 -9.477 370 HB3 HIS 45 HB3 HIS 45 -2.244 -1.059 -10.329 371 HD1 HIS 45 HD1 HIS 45 -0.201 0.079 -9.040 372 HD2 HIS 45 HD2 HIS 45 -3.817 -0.481 -6.924 373 HE1 HIS 45 HE1 HIS 45 0.305 0.546 -6.602 374 H LYS 46 H LYS 46 -5.760 1.169 -11.864 375 HA LYS 46 HA LYS 46 -5.667 -0.813 -13.779 376 HB2 LYS 46 HB2 LYS 46 -7.067 0.618 -15.238 377 HB3 LYS 46 HB3 LYS 46 -7.643 0.461 -13.602 378 HG2 LYS 46 HG2 LYS 46 -7.973 2.673 -13.720 379 HG3 LYS 46 HG3 LYS 46 -6.270 2.745 -13.289 380 HD2 LYS 46 HD2 LYS 46 -6.493 4.271 -14.996 381 HD3 LYS 46 HD3 LYS 46 -5.770 2.875 -15.788 382 HE2 LYS 46 HE2 LYS 46 -7.932 2.224 -16.731 383 HE3 LYS 46 HE3 LYS 46 -8.748 3.508 -15.819 384 HZ1 LYS 46 HZ1 LYS 46 -8.301 4.218 -18.096 385 HZ2 LYS 46 HZ2 LYS 46 -6.691 3.948 -17.886 386 HZ3 LYS 46 HZ3 LYS 46 -7.456 5.122 -17.032 387 H GLN 47 H GLN 47 -3.999 2.339 -14.013 388 HA GLN 47 HA GLN 47 -3.164 1.963 -16.665 389 HB2 GLN 47 HB2 GLN 47 -3.293 4.083 -15.321 390 HB3 GLN 47 HB3 GLN 47 -1.931 3.532 -14.368 391 HG2 GLN 47 HG2 GLN 47 -1.244 5.176 -16.084 392 HG3 GLN 47 HG3 GLN 47 -0.503 3.606 -16.419 393 HE21 GLN 47 HE21 GLN 47 -1.140 2.473 -18.253 394 HE22 GLN 47 HE22 GLN 47 -2.214 3.015 -19.485 395 H GLU 48 H GLU 48 -1.435 1.350 -13.602 396 HA GLU 48 HA GLU 48 0.955 0.309 -14.736 397 HB2 GLU 48 HB2 GLU 48 -0.140 -0.540 -12.034 398 HB3 GLU 48 HB3 GLU 48 1.531 -0.242 -12.516 399 HG2 GLU 48 HG2 GLU 48 -0.693 1.775 -12.005 400 HG3 GLU 48 HG3 GLU 48 0.743 1.535 -11.075 401 H LEU 49 H LEU 49 -1.955 -1.144 -13.587 402 HA LEU 49 HA LEU 49 -1.309 -3.920 -13.855 403 HB2 LEU 49 HB2 LEU 49 -3.912 -2.389 -13.869 404 HB3 LEU 49 HB3 LEU 49 -3.945 -4.092 -14.252 405 HG LEU 49 HG LEU 49 -2.638 -3.120 -11.699 406 HD11 LEU 49 HD11 LEU 49 -4.744 -3.707 -10.573 407 HD12 LEU 49 HD12 LEU 49 -5.509 -4.054 -12.136 408 HD13 LEU 49 HD13 LEU 49 -5.003 -2.397 -11.735 409 HD21 LEU 49 HD21 LEU 49 -3.081 -5.469 -11.012 410 HD22 LEU 49 HD22 LEU 49 -2.071 -5.434 -12.458 411 HD23 LEU 49 HD23 LEU 49 -3.792 -5.814 -12.598 412 H ILE 50 H ILE 50 -2.597 -1.599 -16.246 413 HA ILE 50 HA ILE 50 -2.960 -3.554 -18.304 414 HB ILE 50 HB ILE 50 -2.637 -0.519 -18.345 415 HG12 ILE 50 HG12 ILE 50 -5.040 -2.238 -19.088 416 HG13 ILE 50 HG13 ILE 50 -4.687 -1.802 -17.443 417 HG21 ILE 50 HG21 ILE 50 -1.817 -1.353 -20.534 418 HG22 ILE 50 HG22 ILE 50 -3.316 -2.269 -20.731 419 HG23 ILE 50 HG23 ILE 50 -3.343 -0.495 -20.689 420 HD11 ILE 50 HD11 ILE 50 -4.760 0.624 -18.104 421 HD12 ILE 50 HD12 ILE 50 -5.278 0.077 -19.722 422 HD13 ILE 50 HD13 ILE 50 -6.300 -0.245 -18.315 423 H ASP 51 H ASP 51 -0.250 -1.261 -17.565 424 HA ASP 51 HA ASP 51 1.394 -2.048 -19.664 425 HB2 ASP 51 HB2 ASP 51 1.498 -0.432 -17.252 426 HB3 ASP 51 HB3 ASP 51 2.949 -1.389 -17.333 427 H PHE 52 H PHE 52 1.114 -3.485 -16.400 428 HA PHE 52 HA PHE 52 3.268 -5.383 -16.800 429 HB2 PHE 52 HB2 PHE 52 2.578 -4.565 -14.616 430 HB3 PHE 52 HB3 PHE 52 0.925 -5.112 -14.896 431 HD1 PHE 52 HD1 PHE 52 4.482 -6.316 -14.636 432 HD2 PHE 52 HD2 PHE 52 0.326 -7.395 -14.306 433 HE1 PHE 52 HE1 PHE 52 5.125 -8.515 -13.666 434 HE2 PHE 52 HE2 PHE 52 0.981 -9.612 -13.367 435 HZ PHE 52 HZ PHE 52 3.375 -10.150 -13.027 436 H LEU 53 H LEU 53 -0.315 -5.523 -17.105 437 HA LEU 53 HA LEU 53 -0.247 -8.359 -17.654 438 HB2 LEU 53 HB2 LEU 53 -2.341 -6.236 -17.770 439 HB3 LEU 53 HB3 LEU 53 -2.692 -7.841 -18.360 440 HG LEU 53 HG LEU 53 -1.558 -7.417 -15.542 441 HD11 LEU 53 HD11 LEU 53 -3.793 -7.363 -14.689 442 HD12 LEU 53 HD12 LEU 53 -4.490 -7.524 -16.340 443 HD13 LEU 53 HD13 LEU 53 -3.597 -6.054 -15.856 444 HD21 LEU 53 HD21 LEU 53 -2.727 -9.594 -15.131 445 HD22 LEU 53 HD22 LEU 53 -1.467 -9.718 -16.347 446 HD23 LEU 53 HD23 LEU 53 -3.156 -9.666 -16.850 447 H THR 54 H THR 54 0.015 -5.530 -19.661 448 HA THR 54 HA THR 54 -0.559 -7.130 -22.055 449 HB THR 54 HB THR 54 -1.261 -4.758 -21.627 450 HG1 THR 54 HG1 THR 54 0.001 -5.521 -24.046 451 HG21 THR 54 HG21 THR 54 0.049 -2.900 -22.035 452 HG22 THR 54 HG22 THR 54 1.412 -3.869 -22.669 453 HG23 THR 54 HG23 THR 54 0.977 -3.912 -20.953 454 H GLN 55 H GLN 55 2.296 -5.850 -20.296 455 HA GLN 55 HA GLN 55 4.021 -6.292 -22.534 456 HB2 GLN 55 HB2 GLN 55 5.828 -5.898 -21.043 457 HB3 GLN 55 HB3 GLN 55 4.473 -4.851 -20.616 458 HG2 GLN 55 HG2 GLN 55 4.942 -5.498 -18.499 459 HG3 GLN 55 HG3 GLN 55 3.982 -6.886 -18.905 460 HE21 GLN 55 HE21 GLN 55 5.195 -8.963 -19.483 461 HE22 GLN 55 HE22 GLN 55 6.778 -9.189 -18.818 462 H LEU 56 H LEU 56 2.698 -8.306 -19.985 463 HA LEU 56 HA LEU 56 4.454 -10.538 -20.529 464 HB2 LEU 56 HB2 LEU 56 3.588 -11.526 -18.728 465 HB3 LEU 56 HB3 LEU 56 3.137 -9.870 -18.374 466 HG LEU 56 HG LEU 56 0.838 -10.525 -19.500 467 HD11 LEU 56 HD11 LEU 56 0.235 -12.903 -19.090 468 HD12 LEU 56 HD12 LEU 56 1.918 -13.253 -18.644 469 HD13 LEU 56 HD13 LEU 56 1.511 -12.818 -20.301 470 HD21 LEU 56 HD21 LEU 56 0.013 -11.185 -17.348 471 HD22 LEU 56 HD22 LEU 56 1.242 -9.937 -17.115 472 HD23 LEU 56 HD23 LEU 56 1.650 -11.633 -16.802 473 H GLU 57 H GLU 57 1.203 -9.523 -21.598 474 HA GLU 57 HA GLU 57 0.583 -11.950 -22.965 475 HB2 GLU 57 HB2 GLU 57 -1.000 -10.144 -22.159 476 HB3 GLU 57 HB3 GLU 57 -0.521 -9.182 -23.559 477 HG2 GLU 57 HG2 GLU 57 -2.026 -10.239 -24.835 478 HG3 GLU 57 HG3 GLU 57 -1.277 -11.790 -24.530 479 H SER 58 H SER 58 3.032 -9.860 -23.618 480 HA SER 58 HA SER 58 3.068 -10.334 -26.581 481 HB2 SER 58 HB2 SER 58 3.266 -7.966 -25.512 482 HB3 SER 58 HB3 SER 58 4.859 -8.523 -24.962 483 HG SER 58 HG SER 58 3.908 -8.372 -27.659 484 H GLU 59 H GLU 59 4.508 -11.199 -23.522 485 HA GLU 59 HA GLU 59 6.934 -12.337 -24.775 486 HB2 GLU 59 HB2 GLU 59 6.192 -11.725 -21.888 487 HB3 GLU 59 HB3 GLU 59 7.610 -12.680 -22.362 488 HG2 GLU 59 HG2 GLU 59 8.280 -10.765 -23.883 489 HG3 GLU 59 HG3 GLU 59 7.029 -9.785 -23.140 490 H GLU 60 H GLU 60 7.601 -14.455 -24.127 491 HA GLU 60 HA GLU 60 5.295 -16.353 -23.848 492 HB2 GLU 60 HB2 GLU 60 7.877 -16.520 -25.400 493 HB3 GLU 60 HB3 GLU 60 6.686 -17.816 -25.307 494 HG2 GLU 60 HG2 GLU 60 5.010 -16.448 -26.440 495 HG3 GLU 60 HG3 GLU 60 6.082 -15.042 -26.436 496 H GLU 61 H GLU 61 7.340 -15.212 -21.721 497 HA GLU 61 HA GLU 61 7.755 -17.717 -20.383 498 HB2 GLU 61 HB2 GLU 61 9.862 -16.965 -21.884 499 HB3 GLU 61 HB3 GLU 61 10.151 -15.901 -20.510 500 HG2 GLU 61 HG2 GLU 61 10.079 -17.969 -19.036 501 HG3 GLU 61 HG3 GLU 61 9.864 -18.933 -20.494 502 H SER 62 H SER 62 8.943 -16.913 -18.227 503 HA SER 62 HA SER 62 7.936 -14.411 -17.126 504 HB2 SER 62 HB2 SER 62 6.114 -16.177 -16.894 505 HB3 SER 62 HB3 SER 62 7.247 -17.145 -15.940 506 HG SER 62 HG SER 62 7.007 -14.542 -15.043 Start of MODEL 7 1 H1 MET 1 H MET 1 1.447 1.084 -0.032 2 HA MET 1 HA MET 1 2.439 1.080 -2.233 3 HB2 MET 1 HB2 MET 1 4.397 -0.209 -0.286 4 HB3 MET 1 HB3 MET 1 4.789 0.667 -1.757 5 HG2 MET 1 HG2 MET 1 3.846 2.730 -0.788 6 HG3 MET 1 HG3 MET 1 3.481 1.860 0.710 7 HE1 MET 1 HE1 MET 1 6.896 1.213 2.360 8 HE2 MET 1 HE2 MET 1 5.130 1.240 2.547 9 HE3 MET 1 HE3 MET 1 5.891 0.058 1.459 10 H LYS 2 H LYS 2 1.521 -0.341 -3.742 11 HA LYS 2 HA LYS 2 2.795 -3.058 -3.908 12 HB2 LYS 2 HB2 LYS 2 0.563 -3.909 -4.622 13 HB3 LYS 2 HB3 LYS 2 0.702 -3.459 -2.931 14 HG2 LYS 2 HG2 LYS 2 -0.525 -1.333 -3.412 15 HG3 LYS 2 HG3 LYS 2 -0.641 -1.798 -5.116 16 HD2 LYS 2 HD2 LYS 2 -2.716 -2.227 -3.878 17 HD3 LYS 2 HD3 LYS 2 -2.032 -3.728 -4.507 18 HE2 LYS 2 HE2 LYS 2 -1.069 -4.252 -2.282 19 HE3 LYS 2 HE3 LYS 2 -1.711 -2.731 -1.653 20 HZ1 LYS 2 HZ1 LYS 2 -3.044 -4.780 -1.200 21 HZ2 LYS 2 HZ2 LYS 2 -3.482 -4.792 -2.795 22 HZ3 LYS 2 HZ3 LYS 2 -3.904 -3.545 -1.915 23 H ASN 3 H ASN 3 2.244 -4.086 -6.005 24 HA ASN 3 HA ASN 3 2.526 -2.180 -8.228 25 HB2 ASN 3 HB2 ASN 3 4.362 -3.231 -9.120 26 HB3 ASN 3 HB3 ASN 3 4.730 -3.492 -7.436 27 HD21 ASN 3 HD21 ASN 3 4.082 -5.734 -6.523 28 HD22 ASN 3 HD22 ASN 3 3.791 -7.027 -7.661 29 H ALA 4 H ALA 4 2.079 -3.306 -10.309 30 HA ALA 4 HA ALA 4 -0.571 -4.168 -10.433 31 HB1 ALA 4 HB1 ALA 4 1.741 -4.654 -12.366 32 HB2 ALA 4 HB2 ALA 4 0.048 -5.001 -12.738 33 HB3 ALA 4 HB3 ALA 4 0.545 -3.339 -12.416 34 H ALA 5 H ALA 5 2.332 -6.338 -10.512 35 HA ALA 5 HA ALA 5 0.868 -8.725 -10.770 36 HB1 ALA 5 HB1 ALA 5 3.311 -8.618 -11.110 37 HB2 ALA 5 HB2 ALA 5 3.540 -8.289 -9.363 38 HB3 ALA 5 HB3 ALA 5 2.865 -9.830 -9.878 39 H LYS 6 H LYS 6 1.615 -6.763 -7.884 40 HA LYS 6 HA LYS 6 1.203 -8.707 -5.862 41 HB2 LYS 6 HB2 LYS 6 1.802 -5.981 -6.041 42 HB3 LYS 6 HB3 LYS 6 0.198 -5.939 -5.342 43 HG2 LYS 6 HG2 LYS 6 2.441 -7.619 -4.165 44 HG3 LYS 6 HG3 LYS 6 2.313 -5.884 -3.882 45 HD2 LYS 6 HD2 LYS 6 1.340 -6.758 -2.019 46 HD3 LYS 6 HD3 LYS 6 -0.055 -6.297 -3.001 47 HE2 LYS 6 HE2 LYS 6 -0.438 -8.596 -3.649 48 HE3 LYS 6 HE3 LYS 6 1.127 -9.106 -2.959 49 HZ1 LYS 6 HZ1 LYS 6 -0.507 -9.650 -1.374 50 HZ2 LYS 6 HZ2 LYS 6 -1.293 -8.237 -1.567 51 HZ3 LYS 6 HZ3 LYS 6 0.170 -8.264 -0.786 52 H ILE 7 H ILE 7 -0.996 -6.437 -7.536 53 HA ILE 7 HA ILE 7 -3.365 -7.370 -6.208 54 HB ILE 7 HB ILE 7 -3.112 -5.958 -8.869 55 HG12 ILE 7 HG12 ILE 7 -3.737 -4.178 -6.614 56 HG13 ILE 7 HG13 ILE 7 -2.177 -4.941 -6.358 57 HG21 ILE 7 HG21 ILE 7 -5.278 -4.882 -8.183 58 HG22 ILE 7 HG22 ILE 7 -5.369 -6.617 -8.561 59 HG23 ILE 7 HG23 ILE 7 -5.383 -6.054 -6.860 60 HD11 ILE 7 HD11 ILE 7 -1.513 -4.288 -8.605 61 HD12 ILE 7 HD12 ILE 7 -3.120 -3.521 -8.848 62 HD13 ILE 7 HD13 ILE 7 -1.968 -2.878 -7.620 63 H VAL 8 H VAL 8 -1.884 -8.175 -9.433 64 HA VAL 8 HA VAL 8 -3.907 -9.909 -10.352 65 HB VAL 8 HB VAL 8 -0.903 -10.022 -10.747 66 HG11 VAL 8 HG11 VAL 8 -1.789 -12.193 -11.421 67 HG12 VAL 8 HG12 VAL 8 -3.097 -11.419 -12.342 68 HG13 VAL 8 HG13 VAL 8 -1.409 -11.256 -12.871 69 HG21 VAL 8 HG21 VAL 8 -2.161 -7.918 -11.546 70 HG22 VAL 8 HG22 VAL 8 -1.294 -8.792 -12.805 71 HG23 VAL 8 HG23 VAL 8 -3.034 -8.965 -12.663 72 H ASN 9 H ASN 9 -1.062 -10.774 -8.340 73 HA ASN 9 HA ASN 9 -1.695 -13.516 -8.106 74 HB2 ASN 9 HB2 ASN 9 0.178 -13.553 -7.001 75 HB3 ASN 9 HB3 ASN 9 0.276 -11.785 -7.083 76 HD21 ASN 9 HD21 ASN 9 -0.811 -10.614 -5.236 77 HD22 ASN 9 HD22 ASN 9 -0.946 -11.447 -3.683 78 H GLU 10 H GLU 10 -3.001 -10.792 -6.307 79 HA GLU 10 HA GLU 10 -4.380 -12.459 -4.375 80 HB2 GLU 10 HB2 GLU 10 -4.778 -9.553 -5.204 81 HB3 GLU 10 HB3 GLU 10 -5.815 -10.350 -4.024 82 HG2 GLU 10 HG2 GLU 10 -3.978 -10.751 -2.527 83 HG3 GLU 10 HG3 GLU 10 -2.800 -10.225 -3.724 84 H ALA 11 H ALA 11 -5.224 -11.089 -7.566 85 HA ALA 11 HA ALA 11 -8.001 -11.753 -7.514 86 HB1 ALA 11 HB1 ALA 11 -7.889 -11.522 -9.976 87 HB2 ALA 11 HB2 ALA 11 -7.059 -10.185 -9.183 88 HB3 ALA 11 HB3 ALA 11 -6.130 -11.504 -9.921 89 H LEU 12 H LEU 12 -5.160 -13.495 -8.849 90 HA LEU 12 HA LEU 12 -6.554 -15.750 -9.809 91 HB2 LEU 12 HB2 LEU 12 -3.831 -15.842 -8.511 92 HB3 LEU 12 HB3 LEU 12 -4.480 -17.005 -9.657 93 HG LEU 12 HG LEU 12 -3.597 -14.162 -10.242 94 HD11 LEU 12 HD11 LEU 12 -1.867 -15.149 -11.538 95 HD12 LEU 12 HD12 LEU 12 -2.574 -16.779 -11.351 96 HD13 LEU 12 HD13 LEU 12 -1.853 -15.952 -9.964 97 HD21 LEU 12 HD21 LEU 12 -5.478 -14.479 -11.664 98 HD22 LEU 12 HD22 LEU 12 -4.990 -16.142 -12.068 99 HD23 LEU 12 HD23 LEU 12 -4.047 -14.742 -12.655 100 H ASN 13 H ASN 13 -5.322 -15.172 -6.512 101 HA ASN 13 HA ASN 13 -5.962 -17.765 -5.504 102 HB2 ASN 13 HB2 ASN 13 -5.516 -15.075 -4.169 103 HB3 ASN 13 HB3 ASN 13 -6.135 -16.444 -3.252 104 HD21 ASN 13 HD21 ASN 13 -3.271 -15.221 -4.986 105 HD22 ASN 13 HD22 ASN 13 -2.213 -16.485 -4.405 106 H GLN 14 H GLN 14 -7.941 -14.800 -5.762 107 HA GLN 14 HA GLN 14 -10.248 -16.105 -4.508 108 HB2 GLN 14 HB2 GLN 14 -9.614 -13.364 -5.556 109 HB3 GLN 14 HB3 GLN 14 -11.292 -13.890 -5.646 110 HG2 GLN 14 HG2 GLN 14 -11.090 -12.734 -3.633 111 HG3 GLN 14 HG3 GLN 14 -11.363 -14.431 -3.281 112 HE21 GLN 14 HE21 GLN 14 -8.196 -12.727 -4.080 113 HE22 GLN 14 HE22 GLN 14 -7.598 -12.943 -2.465 114 H GLY 15 H GLY 15 -8.838 -16.928 -7.303 115 HA2 GLY 15 HA2 GLY 15 -9.590 -18.152 -9.061 116 HA3 GLY 15 HA3 GLY 15 -11.235 -18.067 -8.400 117 H ILE 16 H ILE 16 -9.051 -15.394 -9.367 118 HA ILE 16 HA ILE 16 -10.950 -14.721 -11.550 119 HB ILE 16 HB ILE 16 -9.668 -12.917 -9.473 120 HG12 ILE 16 HG12 ILE 16 -12.641 -12.943 -9.914 121 HG13 ILE 16 HG13 ILE 16 -11.981 -14.338 -9.115 122 HG21 ILE 16 HG21 ILE 16 -10.808 -11.034 -10.366 123 HG22 ILE 16 HG22 ILE 16 -9.688 -11.640 -11.568 124 HG23 ILE 16 HG23 ILE 16 -11.447 -11.941 -11.717 125 HD11 ILE 16 HD11 ILE 16 -12.512 -12.994 -7.358 126 HD12 ILE 16 HD12 ILE 16 -10.770 -12.711 -7.541 127 HD13 ILE 16 HD13 ILE 16 -11.962 -11.522 -8.173 128 H THR 17 H THR 17 -9.790 -13.201 -13.146 129 HA THR 17 HA THR 17 -6.913 -13.851 -13.475 130 HB THR 17 HB THR 17 -9.142 -14.270 -15.508 131 HG1 THR 17 HG1 THR 17 -7.192 -16.116 -14.702 132 HG21 THR 17 HG21 THR 17 -7.252 -13.244 -16.655 133 HG22 THR 17 HG22 THR 17 -7.315 -14.963 -17.063 134 HG23 THR 17 HG23 THR 17 -6.126 -14.354 -15.885 135 H LEU 18 H LEU 18 -5.982 -11.856 -13.692 136 HA LEU 18 HA LEU 18 -7.710 -9.597 -14.672 137 HB2 LEU 18 HB2 LEU 18 -5.058 -9.713 -13.203 138 HB3 LEU 18 HB3 LEU 18 -5.621 -8.280 -14.126 139 HG LEU 18 HG LEU 18 -7.200 -9.512 -11.853 140 HD11 LEU 18 HD11 LEU 18 -6.178 -8.193 -10.333 141 HD12 LEU 18 HD12 LEU 18 -5.840 -6.874 -11.482 142 HD13 LEU 18 HD13 LEU 18 -4.803 -8.299 -11.420 143 HD21 LEU 18 HD21 LEU 18 -8.667 -8.247 -13.201 144 HD22 LEU 18 HD22 LEU 18 -7.437 -7.037 -13.599 145 HD23 LEU 18 HD23 LEU 18 -8.145 -7.055 -12.014 146 H PHE 19 H PHE 19 -7.535 -9.192 -16.782 147 HA PHE 19 HA PHE 19 -5.047 -9.697 -18.253 148 HB2 PHE 19 HB2 PHE 19 -6.101 -10.930 -19.938 149 HB3 PHE 19 HB3 PHE 19 -6.649 -11.733 -18.478 150 HD1 PHE 19 HD1 PHE 19 -7.599 -9.962 -21.519 151 HD2 PHE 19 HD2 PHE 19 -9.049 -11.122 -17.625 152 HE1 PHE 19 HE1 PHE 19 -9.924 -9.747 -22.321 153 HE2 PHE 19 HE2 PHE 19 -11.381 -10.684 -18.396 154 HZ PHE 19 HZ PHE 19 -11.816 -10.011 -20.743 155 H VAL 20 H VAL 20 -5.098 -8.058 -20.152 156 HA VAL 20 HA VAL 20 -7.240 -6.009 -19.706 157 HB VAL 20 HB VAL 20 -4.578 -6.108 -20.823 158 HG11 VAL 20 HG11 VAL 20 -5.968 -4.386 -22.048 159 HG12 VAL 20 HG12 VAL 20 -5.709 -3.413 -20.581 160 HG13 VAL 20 HG13 VAL 20 -4.332 -4.024 -21.531 161 HG21 VAL 20 HG21 VAL 20 -3.520 -5.132 -19.238 162 HG22 VAL 20 HG22 VAL 20 -4.974 -4.404 -18.489 163 HG23 VAL 20 HG23 VAL 20 -4.634 -6.134 -18.338 164 H SER 21 H SER 21 -8.384 -5.369 -21.424 165 HA SER 21 HA SER 21 -8.059 -6.781 -24.014 166 HB2 SER 21 HB2 SER 21 -10.015 -7.576 -22.246 167 HB3 SER 21 HB3 SER 21 -10.864 -6.314 -23.140 168 HG SER 21 HG SER 21 -9.405 -8.497 -24.304 169 H ASP 22 H ASP 22 -7.966 -5.361 -25.547 170 HA ASP 22 HA ASP 22 -7.880 -3.453 -26.689 171 HB2 ASP 22 HB2 ASP 22 -10.455 -2.566 -25.366 172 HB3 ASP 22 HB3 ASP 22 -9.885 -2.225 -26.991 173 H ASN 23 H ASN 23 -6.315 -3.506 -24.518 174 HA ASN 23 HA ASN 23 -4.972 -2.149 -23.173 175 HB2 ASN 23 HB2 ASN 23 -5.478 -0.777 -25.555 176 HB3 ASN 23 HB3 ASN 23 -5.963 0.396 -24.369 177 HD21 ASN 23 HD21 ASN 23 -3.317 -2.084 -24.505 178 HD22 ASN 23 HD22 ASN 23 -2.029 -0.927 -24.239 179 H LYS 24 H LYS 24 -7.616 -2.829 -22.200 180 HA LYS 24 HA LYS 24 -7.843 -0.684 -20.173 181 HB2 LYS 24 HB2 LYS 24 -9.634 -0.459 -21.857 182 HB3 LYS 24 HB3 LYS 24 -10.105 -2.139 -21.607 183 HG2 LYS 24 HG2 LYS 24 -11.618 -0.733 -20.393 184 HG3 LYS 24 HG3 LYS 24 -10.699 -1.716 -19.253 185 HD2 LYS 24 HD2 LYS 24 -9.271 0.190 -18.659 186 HD3 LYS 24 HD3 LYS 24 -9.977 1.175 -19.934 187 HE2 LYS 24 HE2 LYS 24 -11.328 0.157 -17.399 188 HE3 LYS 24 HE3 LYS 24 -10.900 1.826 -17.805 189 HZ1 LYS 24 HZ1 LYS 24 -12.454 1.565 -19.726 190 HZ2 LYS 24 HZ2 LYS 24 -13.187 1.593 -18.243 191 HZ3 LYS 24 HZ3 LYS 24 -12.997 0.170 -19.018 192 H LEU 25 H LEU 25 -7.645 -1.532 -18.189 193 HA LEU 25 HA LEU 25 -6.899 -4.211 -17.713 194 HB2 LEU 25 HB2 LEU 25 -6.281 -2.340 -16.272 195 HB3 LEU 25 HB3 LEU 25 -7.945 -2.075 -15.799 196 HG LEU 25 HG LEU 25 -6.195 -3.280 -14.348 197 HD11 LEU 25 HD11 LEU 25 -8.405 -2.944 -13.620 198 HD12 LEU 25 HD12 LEU 25 -7.838 -4.542 -13.130 199 HD13 LEU 25 HD13 LEU 25 -8.981 -4.398 -14.481 200 HD21 LEU 25 HD21 LEU 25 -5.914 -5.580 -14.390 201 HD22 LEU 25 HD22 LEU 25 -5.514 -4.972 -16.002 202 HD23 LEU 25 HD23 LEU 25 -7.068 -5.798 -15.712 203 H LYS 26 H LYS 26 -7.997 -5.885 -18.001 204 HA LYS 26 HA LYS 26 -10.941 -5.764 -17.326 205 HB2 LYS 26 HB2 LYS 26 -9.674 -6.522 -19.740 206 HB3 LYS 26 HB3 LYS 26 -10.098 -8.026 -18.958 207 HG2 LYS 26 HG2 LYS 26 -11.929 -7.456 -20.331 208 HG3 LYS 26 HG3 LYS 26 -12.435 -7.141 -18.670 209 HD2 LYS 26 HD2 LYS 26 -11.834 -4.667 -19.065 210 HD3 LYS 26 HD3 LYS 26 -11.477 -5.108 -20.743 211 HE2 LYS 26 HE2 LYS 26 -13.728 -4.210 -20.644 212 HE3 LYS 26 HE3 LYS 26 -13.794 -5.931 -21.025 213 HZ1 LYS 26 HZ1 LYS 26 -15.425 -5.463 -19.415 214 HZ2 LYS 26 HZ2 LYS 26 -14.381 -4.707 -18.398 215 HZ3 LYS 26 HZ3 LYS 26 -14.277 -6.337 -18.659 216 H TYR 27 H TYR 27 -11.842 -7.947 -16.686 217 HA TYR 27 HA TYR 27 -10.026 -9.594 -15.097 218 HB2 TYR 27 HB2 TYR 27 -10.970 -9.257 -12.980 219 HB3 TYR 27 HB3 TYR 27 -10.830 -7.656 -13.626 220 HD1 TYR 27 HD1 TYR 27 -12.720 -6.272 -14.067 221 HD2 TYR 27 HD2 TYR 27 -13.208 -10.392 -12.938 222 HE1 TYR 27 HE1 TYR 27 -15.117 -5.870 -13.707 223 HE2 TYR 27 HE2 TYR 27 -15.672 -10.032 -12.653 224 HH TYR 27 HH TYR 27 -17.389 -8.478 -12.662 225 H LYS 28 H LYS 28 -10.778 -11.625 -14.898 226 HA LYS 28 HA LYS 28 -13.308 -12.492 -16.190 227 HB2 LYS 28 HB2 LYS 28 -10.452 -13.046 -16.880 228 HB3 LYS 28 HB3 LYS 28 -11.357 -14.505 -16.575 229 HG2 LYS 28 HG2 LYS 28 -12.743 -12.557 -18.353 230 HG3 LYS 28 HG3 LYS 28 -11.208 -13.163 -18.977 231 HD2 LYS 28 HD2 LYS 28 -13.354 -15.041 -17.951 232 HD3 LYS 28 HD3 LYS 28 -13.276 -14.475 -19.634 233 HE2 LYS 28 HE2 LYS 28 -11.004 -15.339 -19.901 234 HE3 LYS 28 HE3 LYS 28 -10.946 -15.815 -18.198 235 HZ1 LYS 28 HZ1 LYS 28 -11.404 -17.678 -19.586 236 HZ2 LYS 28 HZ2 LYS 28 -12.749 -16.972 -20.218 237 HZ3 LYS 28 HZ3 LYS 28 -12.682 -17.386 -18.599 238 H THR 29 H THR 29 -14.059 -14.546 -15.216 239 HA THR 29 HA THR 29 -12.737 -15.929 -13.162 240 HB THR 29 HB THR 29 -12.979 -13.967 -11.796 241 HG1 THR 29 HG1 THR 29 -13.267 -15.714 -10.636 242 HG21 THR 29 HG21 THR 29 -15.266 -13.082 -11.191 243 HG22 THR 29 HG22 THR 29 -15.871 -13.893 -12.650 244 HG23 THR 29 HG23 THR 29 -14.626 -12.628 -12.781 245 H ASN 30 H ASN 30 -14.956 -16.866 -11.884 246 HA ASN 30 HA ASN 30 -16.859 -17.815 -13.968 247 HB2 ASN 30 HB2 ASN 30 -15.315 -19.612 -12.039 248 HB3 ASN 30 HB3 ASN 30 -16.670 -20.119 -13.053 249 HD21 ASN 30 HD21 ASN 30 -13.223 -19.656 -13.024 250 HD22 ASN 30 HD22 ASN 30 -13.008 -19.951 -14.744 251 H ARG 31 H ARG 31 -16.405 -16.221 -11.124 252 HA ARG 31 HA ARG 31 -19.120 -16.854 -10.040 253 HB2 ARG 31 HB2 ARG 31 -18.298 -16.670 -7.817 254 HB3 ARG 31 HB3 ARG 31 -17.349 -17.886 -8.657 255 HG2 ARG 31 HG2 ARG 31 -15.864 -15.514 -9.012 256 HG3 ARG 31 HG3 ARG 31 -16.498 -15.371 -7.378 257 HD2 ARG 31 HD2 ARG 31 -14.945 -17.764 -8.469 258 HD3 ARG 31 HD3 ARG 31 -14.264 -16.434 -7.531 259 HE ARG 31 HE ARG 31 -16.516 -18.007 -6.372 260 HH11 ARG 31 HH11 ARG 31 -13.053 -17.061 -6.065 261 HH12 ARG 31 HH12 ARG 31 -12.984 -17.750 -4.457 262 HH21 ARG 31 HH21 ARG 31 -16.197 -18.948 -4.223 263 HH22 ARG 31 HH22 ARG 31 -14.661 -18.653 -3.470 264 H ASP 32 H ASP 32 -19.735 -14.917 -8.598 265 HA ASP 32 HA ASP 32 -18.760 -12.344 -9.760 266 HB2 ASP 32 HB2 ASP 32 -21.001 -13.367 -10.745 267 HB3 ASP 32 HB3 ASP 32 -21.695 -12.693 -9.274 268 H SER 33 H SER 33 -19.445 -14.231 -7.114 269 HA SER 33 HA SER 33 -20.107 -12.031 -5.242 270 HB2 SER 33 HB2 SER 33 -21.168 -14.300 -5.159 271 HB3 SER 33 HB3 SER 33 -19.602 -14.981 -4.687 272 HG SER 33 HG SER 33 -21.317 -14.201 -3.055 273 H ILE 34 H ILE 34 -17.795 -11.501 -6.569 274 HA ILE 34 HA ILE 34 -15.432 -12.417 -5.105 275 HB ILE 34 HB ILE 34 -14.221 -11.080 -6.768 276 HG12 ILE 34 HG12 ILE 34 -15.822 -10.238 -8.741 277 HG13 ILE 34 HG13 ILE 34 -16.929 -9.924 -7.428 278 HG21 ILE 34 HG21 ILE 34 -16.400 -12.718 -8.125 279 HG22 ILE 34 HG22 ILE 34 -14.749 -12.433 -8.678 280 HG23 ILE 34 HG23 ILE 34 -15.016 -13.406 -7.236 281 HD11 ILE 34 HD11 ILE 34 -14.039 -8.918 -7.439 282 HD12 ILE 34 HD12 ILE 34 -15.397 -8.026 -8.134 283 HD13 ILE 34 HD13 ILE 34 -15.389 -8.386 -6.401 284 HA PRO 35 HA PRO 35 -15.384 -9.076 -2.197 285 HB2 PRO 35 HB2 PRO 35 -12.786 -8.468 -1.864 286 HB3 PRO 35 HB3 PRO 35 -13.451 -10.034 -1.356 287 HG2 PRO 35 HG2 PRO 35 -12.046 -9.373 -3.952 288 HG3 PRO 35 HG3 PRO 35 -11.644 -10.695 -2.818 289 HD2 PRO 35 HD2 PRO 35 -13.179 -11.117 -4.996 290 HD3 PRO 35 HD3 PRO 35 -13.605 -11.901 -3.450 291 H SER 36 H SER 36 -16.049 -7.105 -2.561 292 HA SER 36 HA SER 36 -15.902 -5.689 -4.969 293 HB2 SER 36 HB2 SER 36 -16.284 -4.618 -2.145 294 HB3 SER 36 HB3 SER 36 -16.776 -3.802 -3.646 295 HG SER 36 HG SER 36 -18.248 -5.363 -4.058 296 H GLU 37 H GLU 37 -13.543 -5.808 -2.390 297 HA GLU 37 HA GLU 37 -12.171 -3.371 -2.835 298 HB2 GLU 37 HB2 GLU 37 -10.400 -4.329 -1.544 299 HB3 GLU 37 HB3 GLU 37 -11.949 -4.908 -0.899 300 HG2 GLU 37 HG2 GLU 37 -11.409 -6.980 -2.520 301 HG3 GLU 37 HG3 GLU 37 -9.762 -6.370 -2.415 302 H LEU 38 H LEU 38 -12.063 -6.437 -4.614 303 HA LEU 38 HA LEU 38 -9.566 -5.958 -5.970 304 HB2 LEU 38 HB2 LEU 38 -11.907 -7.832 -6.169 305 HB3 LEU 38 HB3 LEU 38 -11.108 -7.523 -7.685 306 HG LEU 38 HG LEU 38 -9.043 -8.318 -6.931 307 HD11 LEU 38 HD11 LEU 38 -10.110 -8.496 -4.079 308 HD12 LEU 38 HD12 LEU 38 -8.786 -7.484 -4.628 309 HD13 LEU 38 HD13 LEU 38 -8.604 -9.246 -4.625 310 HD21 LEU 38 HD21 LEU 38 -9.551 -10.644 -6.248 311 HD22 LEU 38 HD22 LEU 38 -10.594 -10.020 -7.538 312 HD23 LEU 38 HD23 LEU 38 -11.217 -10.142 -5.885 313 H LEU 39 H LEU 39 -12.945 -5.413 -6.912 314 HA LEU 39 HA LEU 39 -12.448 -4.115 -9.370 315 HB2 LEU 39 HB2 LEU 39 -14.679 -3.862 -7.337 316 HB3 LEU 39 HB3 LEU 39 -14.728 -2.979 -8.855 317 HG LEU 39 HG LEU 39 -14.243 -5.970 -8.939 318 HD11 LEU 39 HD11 LEU 39 -16.724 -6.303 -9.022 319 HD12 LEU 39 HD12 LEU 39 -16.912 -4.622 -8.484 320 HD13 LEU 39 HD13 LEU 39 -16.126 -5.799 -7.430 321 HD21 LEU 39 HD21 LEU 39 -15.756 -4.040 -10.754 322 HD22 LEU 39 HD22 LEU 39 -15.482 -5.765 -11.056 323 HD23 LEU 39 HD23 LEU 39 -14.106 -4.648 -11.033 324 H GLU 40 H GLU 40 -12.325 -2.830 -6.084 325 HA GLU 40 HA GLU 40 -12.136 -0.049 -6.901 326 HB2 GLU 40 HB2 GLU 40 -11.419 -1.408 -4.245 327 HB3 GLU 40 HB3 GLU 40 -11.457 0.318 -4.548 328 HG2 GLU 40 HG2 GLU 40 -13.974 -0.307 -5.363 329 HG3 GLU 40 HG3 GLU 40 -13.730 -1.578 -4.179 330 H GLU 41 H GLU 41 -9.705 -2.408 -5.573 331 HA GLU 41 HA GLU 41 -7.506 -0.724 -5.944 332 HB2 GLU 41 HB2 GLU 41 -7.794 -3.022 -4.661 333 HB3 GLU 41 HB3 GLU 41 -7.119 -3.701 -6.177 334 HG2 GLU 41 HG2 GLU 41 -5.129 -2.566 -5.971 335 HG3 GLU 41 HG3 GLU 41 -5.777 -1.349 -4.861 336 H TRP 42 H TRP 42 -9.027 -2.975 -8.159 337 HA TRP 42 HA TRP 42 -7.032 -3.023 -10.153 338 HB2 TRP 42 HB2 TRP 42 -10.064 -3.231 -10.314 339 HB3 TRP 42 HB3 TRP 42 -9.010 -3.442 -11.668 340 HD1 TRP 42 HD1 TRP 42 -6.915 -5.126 -9.518 341 HE1 TRP 42 HE1 TRP 42 -7.532 -7.522 -8.878 342 HE3 TRP 42 HE3 TRP 42 -11.734 -5.142 -11.186 343 HZ2 TRP 42 HZ2 TRP 42 -9.712 -9.344 -9.479 344 HZ3 TRP 42 HZ3 TRP 42 -13.112 -7.202 -11.008 345 HH2 TRP 42 HH2 TRP 42 -12.072 -9.307 -10.198 346 H LYS 43 H LYS 43 -9.509 -0.657 -9.455 347 HA LYS 43 HA LYS 43 -9.162 0.901 -11.974 348 HB2 LYS 43 HB2 LYS 43 -11.352 0.902 -10.894 349 HB3 LYS 43 HB3 LYS 43 -10.656 1.354 -9.344 350 HG2 LYS 43 HG2 LYS 43 -10.009 3.571 -10.261 351 HG3 LYS 43 HG3 LYS 43 -10.754 3.132 -11.809 352 HD2 LYS 43 HD2 LYS 43 -12.910 2.878 -10.680 353 HD3 LYS 43 HD3 LYS 43 -12.202 3.239 -9.108 354 HE2 LYS 43 HE2 LYS 43 -11.947 5.201 -11.417 355 HE3 LYS 43 HE3 LYS 43 -13.418 5.150 -10.434 356 HZ1 LYS 43 HZ1 LYS 43 -11.676 6.763 -9.698 357 HZ2 LYS 43 HZ2 LYS 43 -10.771 5.485 -9.192 358 HZ3 LYS 43 HZ3 LYS 43 -12.259 5.752 -8.543 359 H GLN 44 H GLN 44 -8.107 0.888 -8.701 360 HA GLN 44 HA GLN 44 -6.912 3.520 -8.583 361 HB2 GLN 44 HB2 GLN 44 -6.419 0.995 -6.948 362 HB3 GLN 44 HB3 GLN 44 -5.593 2.498 -6.633 363 HG2 GLN 44 HG2 GLN 44 -7.541 3.591 -5.910 364 HG3 GLN 44 HG3 GLN 44 -8.608 2.454 -6.721 365 HE21 GLN 44 HE21 GLN 44 -5.963 1.981 -4.288 366 HE22 GLN 44 HE22 GLN 44 -6.944 0.938 -3.262 367 H HIS 45 H HIS 45 -5.393 0.285 -8.939 368 HA HIS 45 HA HIS 45 -3.029 1.600 -10.071 369 HB2 HIS 45 HB2 HIS 45 -3.515 -1.271 -9.240 370 HB3 HIS 45 HB3 HIS 45 -1.957 -0.579 -9.692 371 HD1 HIS 45 HD1 HIS 45 -0.825 1.168 -7.827 372 HD2 HIS 45 HD2 HIS 45 -4.468 -0.693 -6.812 373 HE1 HIS 45 HE1 HIS 45 -1.135 1.525 -5.367 374 H LYS 46 H LYS 46 -5.638 1.145 -11.600 375 HA LYS 46 HA LYS 46 -5.493 -0.890 -13.483 376 HB2 LYS 46 HB2 LYS 46 -7.014 0.291 -14.877 377 HB3 LYS 46 HB3 LYS 46 -7.460 0.565 -13.217 378 HG2 LYS 46 HG2 LYS 46 -7.778 2.629 -13.841 379 HG3 LYS 46 HG3 LYS 46 -6.071 2.774 -13.472 380 HD2 LYS 46 HD2 LYS 46 -5.599 2.384 -15.959 381 HD3 LYS 46 HD3 LYS 46 -7.349 2.356 -16.232 382 HE2 LYS 46 HE2 LYS 46 -7.626 4.579 -15.497 383 HE3 LYS 46 HE3 LYS 46 -6.055 4.621 -14.705 384 HZ1 LYS 46 HZ1 LYS 46 -6.338 4.402 -17.651 385 HZ2 LYS 46 HZ2 LYS 46 -4.976 4.764 -16.835 386 HZ3 LYS 46 HZ3 LYS 46 -6.228 5.831 -16.878 387 H GLN 47 H GLN 47 -3.938 2.287 -13.613 388 HA GLN 47 HA GLN 47 -3.107 2.234 -16.209 389 HB2 GLN 47 HB2 GLN 47 -3.266 4.131 -14.529 390 HB3 GLN 47 HB3 GLN 47 -1.824 3.519 -13.738 391 HG2 GLN 47 HG2 GLN 47 -1.377 5.409 -15.302 392 HG3 GLN 47 HG3 GLN 47 -0.525 3.922 -15.749 393 HE21 GLN 47 HE21 GLN 47 -0.917 3.025 -17.686 394 HE22 GLN 47 HE22 GLN 47 -2.134 3.509 -18.858 395 H GLU 48 H GLU 48 -1.264 1.220 -13.289 396 HA GLU 48 HA GLU 48 0.936 0.229 -14.915 397 HB2 GLU 48 HB2 GLU 48 0.643 -1.044 -12.262 398 HB3 GLU 48 HB3 GLU 48 2.020 -0.237 -12.989 399 HG2 GLU 48 HG2 GLU 48 -0.348 0.999 -11.533 400 HG3 GLU 48 HG3 GLU 48 1.326 0.865 -11.002 401 H LEU 49 H LEU 49 -1.925 -1.176 -13.442 402 HA LEU 49 HA LEU 49 -1.374 -3.933 -13.842 403 HB2 LEU 49 HB2 LEU 49 -3.901 -2.308 -13.658 404 HB3 LEU 49 HB3 LEU 49 -4.065 -3.959 -14.190 405 HG LEU 49 HG LEU 49 -2.632 -3.298 -11.597 406 HD11 LEU 49 HD11 LEU 49 -4.935 -2.395 -11.471 407 HD12 LEU 49 HD12 LEU 49 -4.751 -3.826 -10.453 408 HD13 LEU 49 HD13 LEU 49 -5.587 -3.957 -12.014 409 HD21 LEU 49 HD21 LEU 49 -3.319 -5.650 -11.071 410 HD22 LEU 49 HD22 LEU 49 -2.263 -5.583 -12.493 411 HD23 LEU 49 HD23 LEU 49 -4.012 -5.808 -12.686 412 H ILE 50 H ILE 50 -2.650 -1.550 -16.135 413 HA ILE 50 HA ILE 50 -3.038 -3.473 -18.232 414 HB ILE 50 HB ILE 50 -2.739 -0.442 -18.361 415 HG12 ILE 50 HG12 ILE 50 -5.146 -2.212 -18.863 416 HG13 ILE 50 HG13 ILE 50 -4.710 -1.622 -17.272 417 HG21 ILE 50 HG21 ILE 50 -1.975 -1.240 -20.516 418 HG22 ILE 50 HG22 ILE 50 -3.395 -2.289 -20.666 419 HG23 ILE 50 HG23 ILE 50 -3.569 -0.521 -20.678 420 HD11 ILE 50 HD11 ILE 50 -6.422 -0.223 -18.195 421 HD12 ILE 50 HD12 ILE 50 -4.917 0.699 -18.027 422 HD13 ILE 50 HD13 ILE 50 -5.434 0.079 -19.630 423 H ASP 51 H ASP 51 -0.462 -1.109 -17.619 424 HA ASP 51 HA ASP 51 1.227 -1.706 -19.721 425 HB2 ASP 51 HB2 ASP 51 1.266 0.160 -17.999 426 HB3 ASP 51 HB3 ASP 51 2.097 -0.941 -16.923 427 H PHE 52 H PHE 52 1.062 -3.275 -16.546 428 HA PHE 52 HA PHE 52 3.294 -5.059 -16.983 429 HB2 PHE 52 HB2 PHE 52 2.663 -4.471 -14.741 430 HB3 PHE 52 HB3 PHE 52 0.977 -4.903 -15.031 431 HD1 PHE 52 HD1 PHE 52 4.309 -6.604 -15.451 432 HD2 PHE 52 HD2 PHE 52 0.265 -6.919 -13.991 433 HE1 PHE 52 HE1 PHE 52 4.757 -8.894 -14.733 434 HE2 PHE 52 HE2 PHE 52 0.749 -9.258 -13.239 435 HZ PHE 52 HZ PHE 52 2.961 -10.233 -13.577 436 H LEU 53 H LEU 53 -0.277 -5.382 -17.186 437 HA LEU 53 HA LEU 53 -0.062 -8.195 -17.839 438 HB2 LEU 53 HB2 LEU 53 -2.277 -6.197 -17.850 439 HB3 LEU 53 HB3 LEU 53 -2.557 -7.822 -18.441 440 HG LEU 53 HG LEU 53 -1.417 -7.279 -15.633 441 HD11 LEU 53 HD11 LEU 53 -4.327 -7.726 -16.393 442 HD12 LEU 53 HD12 LEU 53 -3.609 -6.153 -15.989 443 HD13 LEU 53 HD13 LEU 53 -3.636 -7.429 -14.766 444 HD21 LEU 53 HD21 LEU 53 -2.359 -9.565 -15.193 445 HD22 LEU 53 HD22 LEU 53 -1.037 -9.549 -16.361 446 HD23 LEU 53 HD23 LEU 53 -2.705 -9.720 -16.931 447 H THR 54 H THR 54 0.028 -5.355 -19.743 448 HA THR 54 HA THR 54 -0.564 -6.845 -22.204 449 HB THR 54 HB THR 54 -1.310 -4.507 -21.698 450 HG1 THR 54 HG1 THR 54 -1.615 -4.496 -23.726 451 HG21 THR 54 HG21 THR 54 0.853 -3.621 -20.889 452 HG22 THR 54 HG22 THR 54 0.029 -2.598 -22.059 453 HG23 THR 54 HG23 THR 54 1.435 -3.589 -22.551 454 H GLN 55 H GLN 55 2.306 -5.420 -20.598 455 HA GLN 55 HA GLN 55 4.030 -5.948 -22.809 456 HB2 GLN 55 HB2 GLN 55 5.835 -5.421 -21.339 457 HB3 GLN 55 HB3 GLN 55 4.448 -4.419 -20.906 458 HG2 GLN 55 HG2 GLN 55 4.982 -4.990 -18.795 459 HG3 GLN 55 HG3 GLN 55 4.051 -6.412 -19.151 460 HE21 GLN 55 HE21 GLN 55 5.305 -8.452 -19.722 461 HE22 GLN 55 HE22 GLN 55 6.926 -8.630 -19.124 462 H LEU 56 H LEU 56 2.808 -7.954 -20.241 463 HA LEU 56 HA LEU 56 4.729 -10.094 -20.688 464 HB2 LEU 56 HB2 LEU 56 3.904 -11.020 -18.838 465 HB3 LEU 56 HB3 LEU 56 3.306 -9.392 -18.599 466 HG LEU 56 HG LEU 56 1.062 -10.205 -19.568 467 HD11 LEU 56 HD11 LEU 56 1.488 -12.358 -20.538 468 HD12 LEU 56 HD12 LEU 56 0.744 -12.734 -19.003 469 HD13 LEU 56 HD13 LEU 56 2.504 -12.857 -19.177 470 HD21 LEU 56 HD21 LEU 56 1.502 -9.716 -17.190 471 HD22 LEU 56 HD22 LEU 56 2.166 -11.349 -16.981 472 HD23 LEU 56 HD23 LEU 56 0.430 -11.125 -17.369 473 H GLU 57 H GLU 57 1.624 -9.208 -22.001 474 HA GLU 57 HA GLU 57 0.909 -11.729 -23.148 475 HB2 GLU 57 HB2 GLU 57 -0.418 -9.536 -22.649 476 HB3 GLU 57 HB3 GLU 57 0.129 -8.987 -24.224 477 HG2 GLU 57 HG2 GLU 57 -1.162 -10.651 -25.355 478 HG3 GLU 57 HG3 GLU 57 -1.305 -11.643 -23.891 479 H SER 58 H SER 58 3.132 -9.214 -24.080 480 HA SER 58 HA SER 58 3.356 -9.800 -26.894 481 HB2 SER 58 HB2 SER 58 5.510 -8.683 -25.085 482 HB3 SER 58 HB3 SER 58 5.245 -8.329 -26.801 483 HG SER 58 HG SER 58 3.086 -7.454 -25.880 484 H GLU 59 H GLU 59 4.617 -11.376 -24.042 485 HA GLU 59 HA GLU 59 6.634 -12.879 -25.636 486 HB2 GLU 59 HB2 GLU 59 7.533 -11.396 -23.857 487 HB3 GLU 59 HB3 GLU 59 6.638 -12.318 -22.643 488 HG2 GLU 59 HG2 GLU 59 7.929 -14.295 -23.043 489 HG3 GLU 59 HG3 GLU 59 8.556 -13.681 -24.560 490 H GLU 60 H GLU 60 6.846 -15.159 -25.135 491 HA GLU 60 HA GLU 60 6.117 -17.236 -24.819 492 HB2 GLU 60 HB2 GLU 60 5.732 -16.012 -22.403 493 HB3 GLU 60 HB3 GLU 60 4.112 -16.590 -22.711 494 HG2 GLU 60 HG2 GLU 60 5.036 -18.394 -21.599 495 HG3 GLU 60 HG3 GLU 60 5.372 -18.886 -23.261 496 H GLU 61 H GLU 61 4.544 -15.283 -26.609 497 HA GLU 61 HA GLU 61 2.576 -17.183 -27.396 498 HB2 GLU 61 HB2 GLU 61 1.362 -15.808 -25.618 499 HB3 GLU 61 HB3 GLU 61 1.630 -14.373 -26.617 500 HG2 GLU 61 HG2 GLU 61 -0.618 -15.297 -26.955 501 HG3 GLU 61 HG3 GLU 61 0.304 -15.415 -28.456 502 H SER 62 H SER 62 2.046 -16.896 -29.566 503 HA SER 62 HA SER 62 3.462 -14.757 -31.060 504 HB2 SER 62 HB2 SER 62 3.083 -17.713 -31.675 505 HB3 SER 62 HB3 SER 62 3.579 -16.527 -32.884 506 HG SER 62 HG SER 62 4.987 -16.889 -30.402 Start of MODEL 8 1 H1 MET 1 H MET 1 4.319 -0.603 -0.308 2 HA MET 1 HA MET 1 1.818 0.386 -1.477 3 HB2 MET 1 HB2 MET 1 2.944 1.616 -3.165 4 HB3 MET 1 HB3 MET 1 3.632 2.128 -1.637 5 HG2 MET 1 HG2 MET 1 5.568 0.532 -2.094 6 HG3 MET 1 HG3 MET 1 4.858 0.260 -3.693 7 HE1 MET 1 HE1 MET 1 7.621 2.353 -5.120 8 HE2 MET 1 HE2 MET 1 7.502 0.839 -4.187 9 HE3 MET 1 HE3 MET 1 6.347 1.174 -5.493 10 H LYS 2 H LYS 2 1.086 -0.900 -3.202 11 HA LYS 2 HA LYS 2 2.620 -3.439 -3.654 12 HB2 LYS 2 HB2 LYS 2 -0.326 -2.787 -3.980 13 HB3 LYS 2 HB3 LYS 2 0.427 -4.282 -4.467 14 HG2 LYS 2 HG2 LYS 2 -0.241 -5.008 -2.441 15 HG3 LYS 2 HG3 LYS 2 1.237 -4.247 -1.876 16 HD2 LYS 2 HD2 LYS 2 -0.624 -3.639 -0.444 17 HD3 LYS 2 HD3 LYS 2 -0.095 -2.203 -1.346 18 HE2 LYS 2 HE2 LYS 2 -1.977 -2.354 -2.862 19 HE3 LYS 2 HE3 LYS 2 -2.395 -3.962 -2.250 20 HZ1 LYS 2 HZ1 LYS 2 -3.158 -3.113 -0.292 21 HZ2 LYS 2 HZ2 LYS 2 -3.808 -2.175 -1.464 22 HZ3 LYS 2 HZ3 LYS 2 -2.548 -1.575 -0.551 23 H ASN 3 H ASN 3 1.857 -4.261 -6.019 24 HA ASN 3 HA ASN 3 2.224 -2.110 -8.001 25 HB2 ASN 3 HB2 ASN 3 4.071 -3.090 -9.027 26 HB3 ASN 3 HB3 ASN 3 4.485 -3.309 -7.339 27 HD21 ASN 3 HD21 ASN 3 3.796 -5.520 -6.385 28 HD22 ASN 3 HD22 ASN 3 3.630 -6.913 -7.429 29 H ALA 4 H ALA 4 1.972 -3.188 -10.268 30 HA ALA 4 HA ALA 4 -0.595 -4.098 -10.647 31 HB1 ALA 4 HB1 ALA 4 0.226 -4.859 -12.850 32 HB2 ALA 4 HB2 ALA 4 0.658 -3.191 -12.434 33 HB3 ALA 4 HB3 ALA 4 1.879 -4.478 -12.313 34 H ALA 5 H ALA 5 2.366 -6.141 -10.523 35 HA ALA 5 HA ALA 5 1.177 -8.630 -10.975 36 HB1 ALA 5 HB1 ALA 5 3.694 -8.092 -10.860 37 HB2 ALA 5 HB2 ALA 5 3.524 -8.091 -9.108 38 HB3 ALA 5 HB3 ALA 5 3.196 -9.572 -9.999 39 H LYS 6 H LYS 6 1.581 -6.809 -7.945 40 HA LYS 6 HA LYS 6 1.023 -8.913 -6.138 41 HB2 LYS 6 HB2 LYS 6 1.473 -6.057 -6.095 42 HB3 LYS 6 HB3 LYS 6 0.019 -6.349 -5.194 43 HG2 LYS 6 HG2 LYS 6 2.787 -7.540 -4.680 44 HG3 LYS 6 HG3 LYS 6 1.990 -6.270 -3.769 45 HD2 LYS 6 HD2 LYS 6 1.306 -9.222 -3.788 46 HD3 LYS 6 HD3 LYS 6 1.805 -8.190 -2.429 47 HE2 LYS 6 HE2 LYS 6 -0.356 -6.844 -2.988 48 HE3 LYS 6 HE3 LYS 6 -0.786 -8.215 -3.996 49 HZ1 LYS 6 HZ1 LYS 6 -0.304 -8.328 -1.064 50 HZ2 LYS 6 HZ2 LYS 6 -0.755 -9.609 -2.023 51 HZ3 LYS 6 HZ3 LYS 6 -1.752 -8.324 -1.802 52 H ILE 7 H ILE 7 -1.083 -6.399 -7.510 53 HA ILE 7 HA ILE 7 -3.495 -7.392 -6.432 54 HB ILE 7 HB ILE 7 -3.413 -5.873 -8.995 55 HG12 ILE 7 HG12 ILE 7 -3.518 -4.044 -6.680 56 HG13 ILE 7 HG13 ILE 7 -1.976 -4.867 -6.713 57 HG21 ILE 7 HG21 ILE 7 -5.249 -5.782 -6.587 58 HG22 ILE 7 HG22 ILE 7 -5.377 -4.709 -7.990 59 HG23 ILE 7 HG23 ILE 7 -5.600 -6.461 -8.193 60 HD11 ILE 7 HD11 ILE 7 -3.236 -3.441 -9.051 61 HD12 ILE 7 HD12 ILE 7 -1.822 -2.885 -8.097 62 HD13 ILE 7 HD13 ILE 7 -1.734 -4.370 -9.070 63 H VAL 8 H VAL 8 -1.870 -8.163 -9.544 64 HA VAL 8 HA VAL 8 -3.977 -9.743 -10.626 65 HB VAL 8 HB VAL 8 -0.965 -9.875 -10.979 66 HG11 VAL 8 HG11 VAL 8 -1.477 -11.194 -13.070 67 HG12 VAL 8 HG12 VAL 8 -1.821 -12.076 -11.584 68 HG13 VAL 8 HG13 VAL 8 -3.157 -11.358 -12.505 69 HG21 VAL 8 HG21 VAL 8 -2.188 -7.813 -11.834 70 HG22 VAL 8 HG22 VAL 8 -1.281 -8.716 -13.043 71 HG23 VAL 8 HG23 VAL 8 -3.043 -8.873 -12.962 72 H ASN 9 H ASN 9 -1.105 -10.772 -8.756 73 HA ASN 9 HA ASN 9 -1.856 -13.464 -8.455 74 HB2 ASN 9 HB2 ASN 9 0.106 -13.525 -7.535 75 HB3 ASN 9 HB3 ASN 9 0.218 -11.767 -7.524 76 HD21 ASN 9 HD21 ASN 9 -0.751 -10.706 -5.498 77 HD22 ASN 9 HD22 ASN 9 -0.532 -11.569 -3.985 78 H GLU 10 H GLU 10 -2.938 -10.672 -6.604 79 HA GLU 10 HA GLU 10 -4.139 -12.210 -4.515 80 HB2 GLU 10 HB2 GLU 10 -4.485 -9.359 -5.510 81 HB3 GLU 10 HB3 GLU 10 -5.538 -9.995 -4.237 82 HG2 GLU 10 HG2 GLU 10 -3.709 -10.404 -2.764 83 HG3 GLU 10 HG3 GLU 10 -2.519 -10.157 -4.040 84 H ALA 11 H ALA 11 -5.271 -10.926 -7.644 85 HA ALA 11 HA ALA 11 -8.022 -11.645 -7.280 86 HB1 ALA 11 HB1 ALA 11 -7.254 -9.940 -8.898 87 HB2 ALA 11 HB2 ALA 11 -6.395 -11.185 -9.833 88 HB3 ALA 11 HB3 ALA 11 -8.158 -11.232 -9.714 89 H LEU 12 H LEU 12 -5.225 -13.206 -8.858 90 HA LEU 12 HA LEU 12 -6.518 -15.536 -9.795 91 HB2 LEU 12 HB2 LEU 12 -3.718 -15.323 -8.658 92 HB3 LEU 12 HB3 LEU 12 -4.303 -16.671 -9.622 93 HG LEU 12 HG LEU 12 -3.933 -13.819 -10.599 94 HD11 LEU 12 HD11 LEU 12 -1.812 -14.993 -10.248 95 HD12 LEU 12 HD12 LEU 12 -2.125 -14.711 -11.966 96 HD13 LEU 12 HD13 LEU 12 -2.367 -16.327 -11.269 97 HD21 LEU 12 HD21 LEU 12 -4.520 -14.573 -12.781 98 HD22 LEU 12 HD22 LEU 12 -5.837 -14.991 -11.715 99 HD23 LEU 12 HD23 LEU 12 -4.727 -16.272 -12.212 100 H ASN 13 H ASN 13 -5.221 -14.827 -6.560 101 HA ASN 13 HA ASN 13 -5.603 -17.432 -5.484 102 HB2 ASN 13 HB2 ASN 13 -5.164 -14.716 -4.306 103 HB3 ASN 13 HB3 ASN 13 -5.938 -15.915 -3.276 104 HD21 ASN 13 HD21 ASN 13 -2.960 -15.218 -5.148 105 HD22 ASN 13 HD22 ASN 13 -2.098 -16.646 -4.587 106 H GLN 14 H GLN 14 -7.909 -14.696 -5.761 107 HA GLN 14 HA GLN 14 -10.010 -16.295 -4.476 108 HB2 GLN 14 HB2 GLN 14 -9.785 -13.480 -5.508 109 HB3 GLN 14 HB3 GLN 14 -11.387 -14.214 -5.430 110 HG2 GLN 14 HG2 GLN 14 -11.110 -13.097 -3.374 111 HG3 GLN 14 HG3 GLN 14 -10.996 -14.820 -3.036 112 HE21 GLN 14 HE21 GLN 14 -9.044 -11.828 -3.461 113 HE22 GLN 14 HE22 GLN 14 -7.748 -12.402 -2.437 114 H GLY 15 H GLY 15 -8.626 -16.684 -7.420 115 HA2 GLY 15 HA2 GLY 15 -9.301 -18.056 -9.147 116 HA3 GLY 15 HA3 GLY 15 -10.941 -18.122 -8.474 117 H ILE 16 H ILE 16 -8.982 -15.203 -9.345 118 HA ILE 16 HA ILE 16 -10.921 -14.633 -11.532 119 HB ILE 16 HB ILE 16 -9.772 -12.848 -9.393 120 HG12 ILE 16 HG12 ILE 16 -12.740 -12.942 -9.909 121 HG13 ILE 16 HG13 ILE 16 -12.073 -14.394 -9.206 122 HG21 ILE 16 HG21 ILE 16 -11.441 -12.028 -11.794 123 HG22 ILE 16 HG22 ILE 16 -11.009 -11.000 -10.418 124 HG23 ILE 16 HG23 ILE 16 -9.747 -11.605 -11.497 125 HD11 ILE 16 HD11 ILE 16 -12.709 -13.178 -7.355 126 HD12 ILE 16 HD12 ILE 16 -10.965 -12.857 -7.452 127 HD13 ILE 16 HD13 ILE 16 -12.143 -11.651 -8.050 128 H THR 17 H THR 17 -9.891 -14.243 -13.398 129 HA THR 17 HA THR 17 -6.942 -14.011 -13.419 130 HB THR 17 HB THR 17 -9.029 -14.721 -15.509 131 HG1 THR 17 HG1 THR 17 -8.287 -16.781 -15.173 132 HG21 THR 17 HG21 THR 17 -6.000 -14.595 -15.667 133 HG22 THR 17 HG22 THR 17 -7.153 -13.606 -16.571 134 HG23 THR 17 HG23 THR 17 -7.051 -15.349 -16.901 135 H LEU 18 H LEU 18 -6.028 -12.064 -13.821 136 HA LEU 18 HA LEU 18 -7.772 -9.836 -14.814 137 HB2 LEU 18 HB2 LEU 18 -5.109 -9.878 -13.352 138 HB3 LEU 18 HB3 LEU 18 -5.674 -8.473 -14.285 139 HG LEU 18 HG LEU 18 -7.193 -9.671 -11.958 140 HD11 LEU 18 HD11 LEU 18 -4.831 -8.216 -11.759 141 HD12 LEU 18 HD12 LEU 18 -6.099 -8.300 -10.531 142 HD13 LEU 18 HD13 LEU 18 -6.026 -6.941 -11.680 143 HD21 LEU 18 HD21 LEU 18 -8.213 -7.234 -12.154 144 HD22 LEU 18 HD22 LEU 18 -8.771 -8.506 -13.258 145 HD23 LEU 18 HD23 LEU 18 -7.593 -7.282 -13.781 146 H PHE 19 H PHE 19 -7.463 -9.073 -16.835 147 HA PHE 19 HA PHE 19 -4.974 -9.556 -18.312 148 HB2 PHE 19 HB2 PHE 19 -5.866 -10.836 -20.033 149 HB3 PHE 19 HB3 PHE 19 -6.601 -11.584 -18.632 150 HD1 PHE 19 HD1 PHE 19 -7.209 -9.911 -21.793 151 HD2 PHE 19 HD2 PHE 19 -9.017 -11.003 -18.032 152 HE1 PHE 19 HE1 PHE 19 -9.449 -9.722 -22.813 153 HE2 PHE 19 HE2 PHE 19 -11.262 -10.711 -19.034 154 HZ PHE 19 HZ PHE 19 -11.495 -10.097 -21.442 155 H VAL 20 H VAL 20 -5.014 -8.045 -20.332 156 HA VAL 20 HA VAL 20 -7.009 -5.894 -19.987 157 HB VAL 20 HB VAL 20 -5.398 -4.536 -19.969 158 HG11 VAL 20 HG11 VAL 20 -3.050 -4.996 -19.843 159 HG12 VAL 20 HG12 VAL 20 -4.060 -6.011 -18.804 160 HG13 VAL 20 HG13 VAL 20 -3.350 -6.678 -20.319 161 HG21 VAL 20 HG21 VAL 20 -3.895 -4.037 -21.833 162 HG22 VAL 20 HG22 VAL 20 -4.336 -5.571 -22.594 163 HG23 VAL 20 HG23 VAL 20 -5.563 -4.297 -22.366 164 H SER 21 H SER 21 -8.200 -5.359 -21.628 165 HA SER 21 HA SER 21 -7.958 -6.867 -24.172 166 HB2 SER 21 HB2 SER 21 -9.864 -7.626 -22.584 167 HB3 SER 21 HB3 SER 21 -10.523 -6.013 -22.824 168 HG SER 21 HG SER 21 -10.560 -6.435 -25.102 169 H ASP 22 H ASP 22 -7.729 -5.416 -25.720 170 HA ASP 22 HA ASP 22 -7.571 -3.447 -26.867 171 HB2 ASP 22 HB2 ASP 22 -10.242 -2.741 -25.598 172 HB3 ASP 22 HB3 ASP 22 -9.663 -2.350 -27.214 173 H ASN 23 H ASN 23 -6.018 -3.327 -24.686 174 HA ASN 23 HA ASN 23 -4.811 -1.874 -23.331 175 HB2 ASN 23 HB2 ASN 23 -5.432 -0.447 -25.587 176 HB3 ASN 23 HB3 ASN 23 -6.227 0.557 -24.388 177 HD21 ASN 23 HD21 ASN 23 -3.222 -1.150 -25.071 178 HD22 ASN 23 HD22 ASN 23 -2.130 0.021 -24.431 179 H LYS 24 H LYS 24 -7.679 -2.783 -22.518 180 HA LYS 24 HA LYS 24 -7.859 -0.824 -20.302 181 HB2 LYS 24 HB2 LYS 24 -9.660 -0.557 -22.009 182 HB3 LYS 24 HB3 LYS 24 -10.091 -2.251 -21.812 183 HG2 LYS 24 HG2 LYS 24 -11.650 -0.818 -20.560 184 HG3 LYS 24 HG3 LYS 24 -10.696 -1.733 -19.386 185 HD2 LYS 24 HD2 LYS 24 -9.217 0.227 -19.041 186 HD3 LYS 24 HD3 LYS 24 -10.083 1.120 -20.288 187 HE2 LYS 24 HE2 LYS 24 -11.188 0.209 -17.586 188 HE3 LYS 24 HE3 LYS 24 -10.633 1.836 -18.007 189 HZ1 LYS 24 HZ1 LYS 24 -13.013 0.454 -19.031 190 HZ2 LYS 24 HZ2 LYS 24 -12.428 1.838 -19.733 191 HZ3 LYS 24 HZ3 LYS 24 -12.937 1.864 -18.188 192 H LEU 25 H LEU 25 -7.610 -1.713 -18.395 193 HA LEU 25 HA LEU 25 -7.014 -4.418 -17.852 194 HB2 LEU 25 HB2 LEU 25 -6.444 -2.604 -16.309 195 HB3 LEU 25 HB3 LEU 25 -8.148 -2.188 -16.099 196 HG LEU 25 HG LEU 25 -8.549 -4.439 -15.046 197 HD11 LEU 25 HD11 LEU 25 -5.595 -4.755 -15.668 198 HD12 LEU 25 HD12 LEU 25 -6.925 -5.913 -15.895 199 HD13 LEU 25 HD13 LEU 25 -6.312 -5.575 -14.272 200 HD21 LEU 25 HD21 LEU 25 -6.362 -2.782 -13.777 201 HD22 LEU 25 HD22 LEU 25 -7.467 -3.926 -12.974 202 HD23 LEU 25 HD23 LEU 25 -8.106 -2.451 -13.704 203 H LYS 26 H LYS 26 -8.294 -6.127 -17.827 204 HA LYS 26 HA LYS 26 -11.190 -5.904 -17.257 205 HB2 LYS 26 HB2 LYS 26 -9.756 -6.992 -19.650 206 HB3 LYS 26 HB3 LYS 26 -10.790 -8.170 -18.854 207 HG2 LYS 26 HG2 LYS 26 -12.122 -7.141 -20.503 208 HG3 LYS 26 HG3 LYS 26 -12.661 -6.596 -18.906 209 HD2 LYS 26 HD2 LYS 26 -11.221 -4.490 -19.318 210 HD3 LYS 26 HD3 LYS 26 -10.955 -5.101 -20.934 211 HE2 LYS 26 HE2 LYS 26 -12.724 -3.361 -20.816 212 HE3 LYS 26 HE3 LYS 26 -13.359 -4.892 -21.425 213 HZ1 LYS 26 HZ1 LYS 26 -14.314 -5.362 -19.356 214 HZ2 LYS 26 HZ2 LYS 26 -14.755 -3.814 -19.680 215 HZ3 LYS 26 HZ3 LYS 26 -13.568 -4.100 -18.592 216 H TYR 27 H TYR 27 -11.981 -8.164 -16.659 217 HA TYR 27 HA TYR 27 -10.027 -9.768 -15.199 218 HB2 TYR 27 HB2 TYR 27 -10.990 -9.439 -13.024 219 HB3 TYR 27 HB3 TYR 27 -10.946 -7.846 -13.707 220 HD1 TYR 27 HD1 TYR 27 -13.024 -6.646 -14.299 221 HD2 TYR 27 HD2 TYR 27 -13.093 -10.671 -12.734 222 HE1 TYR 27 HE1 TYR 27 -15.446 -6.439 -13.859 223 HE2 TYR 27 HE2 TYR 27 -15.501 -10.457 -12.295 224 HH TYR 27 HH TYR 27 -17.388 -9.167 -12.530 225 H LYS 28 H LYS 28 -10.761 -11.887 -15.033 226 HA LYS 28 HA LYS 28 -13.394 -12.673 -16.230 227 HB2 LYS 28 HB2 LYS 28 -10.623 -13.871 -16.697 228 HB3 LYS 28 HB3 LYS 28 -12.075 -14.853 -16.771 229 HG2 LYS 28 HG2 LYS 28 -12.736 -12.739 -18.447 230 HG3 LYS 28 HG3 LYS 28 -11.012 -12.943 -18.730 231 HD2 LYS 28 HD2 LYS 28 -13.140 -15.097 -18.925 232 HD3 LYS 28 HD3 LYS 28 -12.361 -14.280 -20.285 233 HE2 LYS 28 HE2 LYS 28 -10.310 -15.385 -18.568 234 HE3 LYS 28 HE3 LYS 28 -11.498 -16.652 -18.878 235 HZ1 LYS 28 HZ1 LYS 28 -9.612 -16.507 -20.437 236 HZ2 LYS 28 HZ2 LYS 28 -10.166 -15.082 -20.994 237 HZ3 LYS 28 HZ3 LYS 28 -11.052 -16.488 -21.204 238 H THR 29 H THR 29 -14.276 -14.634 -15.147 239 HA THR 29 HA THR 29 -12.840 -15.758 -12.901 240 HB THR 29 HB THR 29 -13.335 -13.700 -11.823 241 HG1 THR 29 HG1 THR 29 -15.464 -14.444 -10.613 242 HG21 THR 29 HG21 THR 29 -16.151 -13.847 -12.927 243 HG22 THR 29 HG22 THR 29 -14.892 -12.655 -13.317 244 HG23 THR 29 HG23 THR 29 -15.590 -12.693 -11.690 245 H ASN 30 H ASN 30 -14.300 -17.146 -11.677 246 HA ASN 30 HA ASN 30 -16.218 -18.609 -13.429 247 HB2 ASN 30 HB2 ASN 30 -14.541 -19.491 -11.045 248 HB3 ASN 30 HB3 ASN 30 -15.765 -20.491 -11.822 249 HD21 ASN 30 HD21 ASN 30 -15.066 -21.803 -13.540 250 HD22 ASN 30 HD22 ASN 30 -13.545 -21.550 -14.367 251 H ARG 31 H ARG 31 -16.217 -16.306 -10.939 252 HA ARG 31 HA ARG 31 -18.960 -16.927 -10.171 253 HB2 ARG 31 HB2 ARG 31 -18.504 -16.649 -7.857 254 HB3 ARG 31 HB3 ARG 31 -17.446 -17.906 -8.495 255 HG2 ARG 31 HG2 ARG 31 -16.323 -15.097 -8.210 256 HG3 ARG 31 HG3 ARG 31 -16.615 -16.038 -6.769 257 HD2 ARG 31 HD2 ARG 31 -14.925 -17.051 -9.086 258 HD3 ARG 31 HD3 ARG 31 -14.276 -16.209 -7.677 259 HE ARG 31 HE ARG 31 -15.541 -18.890 -7.789 260 HH11 ARG 31 HH11 ARG 31 -13.641 -16.621 -5.876 261 HH12 ARG 31 HH12 ARG 31 -13.596 -17.633 -4.477 262 HH21 ARG 31 HH21 ARG 31 -15.671 -20.124 -5.854 263 HH22 ARG 31 HH22 ARG 31 -14.831 -19.594 -4.425 264 H ASP 32 H ASP 32 -20.137 -15.074 -9.473 265 HA ASP 32 HA ASP 32 -19.114 -12.486 -10.415 266 HB2 ASP 32 HB2 ASP 32 -21.447 -11.825 -10.249 267 HB3 ASP 32 HB3 ASP 32 -21.376 -13.369 -11.118 268 H SER 33 H SER 33 -19.680 -14.249 -7.564 269 HA SER 33 HA SER 33 -20.142 -12.197 -5.640 270 HB2 SER 33 HB2 SER 33 -20.841 -14.553 -5.563 271 HB3 SER 33 HB3 SER 33 -19.168 -15.078 -5.504 272 HG SER 33 HG SER 33 -20.796 -13.872 -3.547 273 H ILE 34 H ILE 34 -17.857 -11.464 -7.261 274 HA ILE 34 HA ILE 34 -15.428 -12.142 -5.825 275 HB ILE 34 HB ILE 34 -14.275 -10.716 -7.379 276 HG12 ILE 34 HG12 ILE 34 -15.754 -9.744 -9.315 277 HG13 ILE 34 HG13 ILE 34 -16.988 -9.584 -8.075 278 HG21 ILE 34 HG21 ILE 34 -16.422 -12.240 -8.893 279 HG22 ILE 34 HG22 ILE 34 -14.775 -11.865 -9.425 280 HG23 ILE 34 HG23 ILE 34 -15.030 -12.992 -8.082 281 HD11 ILE 34 HD11 ILE 34 -14.155 -8.417 -7.883 282 HD12 ILE 34 HD12 ILE 34 -15.592 -7.532 -8.434 283 HD13 ILE 34 HD13 ILE 34 -15.499 -8.108 -6.772 284 HA PRO 35 HA PRO 35 -15.743 -9.002 -2.708 285 HB2 PRO 35 HB2 PRO 35 -13.143 -8.513 -2.150 286 HB3 PRO 35 HB3 PRO 35 -13.920 -10.091 -1.770 287 HG2 PRO 35 HG2 PRO 35 -12.224 -9.392 -4.152 288 HG3 PRO 35 HG3 PRO 35 -12.049 -10.805 -3.058 289 HD2 PRO 35 HD2 PRO 35 -13.399 -10.949 -5.442 290 HD3 PRO 35 HD3 PRO 35 -13.970 -11.839 -3.987 291 H SER 36 H SER 36 -16.117 -6.788 -2.853 292 HA SER 36 HA SER 36 -15.408 -5.445 -5.277 293 HB2 SER 36 HB2 SER 36 -16.531 -4.394 -2.673 294 HB3 SER 36 HB3 SER 36 -16.377 -3.448 -4.179 295 HG SER 36 HG SER 36 -18.378 -4.354 -4.253 296 H GLU 37 H GLU 37 -13.450 -6.040 -2.539 297 HA GLU 37 HA GLU 37 -11.857 -3.678 -2.526 298 HB2 GLU 37 HB2 GLU 37 -10.263 -4.936 -1.307 299 HB3 GLU 37 HB3 GLU 37 -11.848 -5.526 -0.824 300 HG2 GLU 37 HG2 GLU 37 -11.094 -7.579 -1.150 301 HG3 GLU 37 HG3 GLU 37 -11.156 -7.318 -2.853 302 H LEU 38 H LEU 38 -11.991 -6.487 -4.630 303 HA LEU 38 HA LEU 38 -9.524 -6.056 -5.986 304 HB2 LEU 38 HB2 LEU 38 -11.953 -7.750 -6.372 305 HB3 LEU 38 HB3 LEU 38 -11.106 -7.368 -7.847 306 HG LEU 38 HG LEU 38 -9.117 -8.401 -7.165 307 HD11 LEU 38 HD11 LEU 38 -8.871 -7.722 -4.790 308 HD12 LEU 38 HD12 LEU 38 -8.671 -9.449 -4.979 309 HD13 LEU 38 HD13 LEU 38 -10.187 -8.797 -4.327 310 HD21 LEU 38 HD21 LEU 38 -9.855 -10.699 -6.670 311 HD22 LEU 38 HD22 LEU 38 -10.912 -9.887 -7.843 312 HD23 LEU 38 HD23 LEU 38 -11.435 -10.077 -6.160 313 H LEU 39 H LEU 39 -12.902 -5.105 -6.682 314 HA LEU 39 HA LEU 39 -12.412 -3.684 -9.080 315 HB2 LEU 39 HB2 LEU 39 -14.467 -3.032 -6.926 316 HB3 LEU 39 HB3 LEU 39 -14.519 -2.453 -8.578 317 HG LEU 39 HG LEU 39 -14.730 -5.390 -7.790 318 HD11 LEU 39 HD11 LEU 39 -17.138 -5.152 -8.214 319 HD12 LEU 39 HD12 LEU 39 -16.930 -3.412 -8.531 320 HD13 LEU 39 HD13 LEU 39 -16.623 -4.073 -6.914 321 HD21 LEU 39 HD21 LEU 39 -15.320 -3.963 -10.427 322 HD22 LEU 39 HD22 LEU 39 -15.589 -5.689 -10.093 323 HD23 LEU 39 HD23 LEU 39 -13.945 -5.040 -10.111 324 H GLU 40 H GLU 40 -11.959 -2.784 -5.752 325 HA GLU 40 HA GLU 40 -11.625 0.042 -6.213 326 HB2 GLU 40 HB2 GLU 40 -11.053 -1.761 -3.848 327 HB3 GLU 40 HB3 GLU 40 -10.732 -0.039 -3.810 328 HG2 GLU 40 HG2 GLU 40 -13.474 -1.037 -4.635 329 HG3 GLU 40 HG3 GLU 40 -13.013 -1.008 -2.944 330 H GLU 41 H GLU 41 -9.309 -2.567 -5.287 331 HA GLU 41 HA GLU 41 -7.046 -0.889 -5.673 332 HB2 GLU 41 HB2 GLU 41 -7.321 -3.197 -4.405 333 HB3 GLU 41 HB3 GLU 41 -6.812 -3.870 -5.961 334 HG2 GLU 41 HG2 GLU 41 -4.852 -3.606 -4.601 335 HG3 GLU 41 HG3 GLU 41 -4.771 -2.353 -5.827 336 H TRP 42 H TRP 42 -8.819 -3.016 -7.919 337 HA TRP 42 HA TRP 42 -6.953 -2.935 -10.039 338 HB2 TRP 42 HB2 TRP 42 -9.983 -3.109 -10.128 339 HB3 TRP 42 HB3 TRP 42 -8.950 -3.288 -11.531 340 HD1 TRP 42 HD1 TRP 42 -6.848 -5.131 -9.544 341 HE1 TRP 42 HE1 TRP 42 -7.512 -7.563 -9.062 342 HE3 TRP 42 HE3 TRP 42 -11.714 -4.940 -11.070 343 HZ2 TRP 42 HZ2 TRP 42 -9.716 -9.284 -9.707 344 HZ3 TRP 42 HZ3 TRP 42 -13.101 -7.013 -11.109 345 HH2 TRP 42 HH2 TRP 42 -12.121 -9.168 -10.448 346 H LYS 43 H LYS 43 -9.659 -0.617 -9.274 347 HA LYS 43 HA LYS 43 -9.010 0.993 -11.626 348 HB2 LYS 43 HB2 LYS 43 -11.265 0.933 -10.719 349 HB3 LYS 43 HB3 LYS 43 -10.698 1.460 -9.134 350 HG2 LYS 43 HG2 LYS 43 -10.084 3.242 -11.477 351 HG3 LYS 43 HG3 LYS 43 -11.769 3.136 -10.995 352 HD2 LYS 43 HD2 LYS 43 -9.780 3.591 -8.775 353 HD3 LYS 43 HD3 LYS 43 -10.024 4.900 -9.921 354 HE2 LYS 43 HE2 LYS 43 -12.393 4.984 -9.483 355 HE3 LYS 43 HE3 LYS 43 -12.343 3.475 -8.560 356 HZ1 LYS 43 HZ1 LYS 43 -11.084 4.569 -6.865 357 HZ2 LYS 43 HZ2 LYS 43 -12.460 5.390 -7.135 358 HZ3 LYS 43 HZ3 LYS 43 -11.046 5.991 -7.728 359 H GLN 44 H GLN 44 -8.016 0.942 -8.205 360 HA GLN 44 HA GLN 44 -6.805 3.509 -8.205 361 HB2 GLN 44 HB2 GLN 44 -6.394 0.953 -6.587 362 HB3 GLN 44 HB3 GLN 44 -5.417 2.371 -6.262 363 HG2 GLN 44 HG2 GLN 44 -7.133 3.648 -5.452 364 HG3 GLN 44 HG3 GLN 44 -8.358 2.838 -6.404 365 HE21 GLN 44 HE21 GLN 44 -6.202 0.890 -4.104 366 HE22 GLN 44 HE22 GLN 44 -7.499 0.782 -2.943 367 H HIS 45 H HIS 45 -5.572 0.295 -9.085 368 HA HIS 45 HA HIS 45 -3.083 1.568 -10.064 369 HB2 HIS 45 HB2 HIS 45 -3.754 -1.250 -9.182 370 HB3 HIS 45 HB3 HIS 45 -2.186 -0.755 -9.803 371 HD1 HIS 45 HD1 HIS 45 -0.704 0.939 -8.311 372 HD2 HIS 45 HD2 HIS 45 -4.391 -0.307 -6.666 373 HE1 HIS 45 HE1 HIS 45 -0.791 1.813 -5.939 374 H LYS 46 H LYS 46 -5.821 1.152 -11.577 375 HA LYS 46 HA LYS 46 -5.449 -0.783 -13.539 376 HB2 LYS 46 HB2 LYS 46 -7.014 0.438 -14.958 377 HB3 LYS 46 HB3 LYS 46 -7.586 0.271 -13.335 378 HG2 LYS 46 HG2 LYS 46 -8.116 2.446 -13.515 379 HG3 LYS 46 HG3 LYS 46 -6.443 2.729 -13.077 380 HD2 LYS 46 HD2 LYS 46 -5.904 2.720 -15.607 381 HD3 LYS 46 HD3 LYS 46 -7.648 2.603 -15.882 382 HE2 LYS 46 HE2 LYS 46 -7.906 4.705 -14.472 383 HE3 LYS 46 HE3 LYS 46 -6.139 4.829 -14.447 384 HZ1 LYS 46 HZ1 LYS 46 -7.013 6.152 -16.232 385 HZ2 LYS 46 HZ2 LYS 46 -7.953 4.933 -16.783 386 HZ3 LYS 46 HZ3 LYS 46 -6.320 4.874 -16.982 387 H GLN 47 H GLN 47 -4.046 2.454 -13.412 388 HA GLN 47 HA GLN 47 -3.182 2.471 -16.082 389 HB2 GLN 47 HB2 GLN 47 -3.438 4.444 -14.567 390 HB3 GLN 47 HB3 GLN 47 -2.020 3.915 -13.663 391 HG2 GLN 47 HG2 GLN 47 -1.511 5.718 -15.333 392 HG3 GLN 47 HG3 GLN 47 -0.617 4.235 -15.682 393 HE21 GLN 47 HE21 GLN 47 -1.127 3.062 -17.562 394 HE22 GLN 47 HE22 GLN 47 -2.276 3.565 -18.784 395 H GLU 48 H GLU 48 -1.681 0.968 -13.245 396 HA GLU 48 HA GLU 48 0.721 0.317 -14.878 397 HB2 GLU 48 HB2 GLU 48 1.758 -0.377 -12.811 398 HB3 GLU 48 HB3 GLU 48 1.259 1.310 -12.816 399 HG2 GLU 48 HG2 GLU 48 -0.801 0.629 -11.494 400 HG3 GLU 48 HG3 GLU 48 -0.063 -0.969 -11.296 401 H LEU 49 H LEU 49 -2.126 -1.137 -13.426 402 HA LEU 49 HA LEU 49 -1.409 -3.847 -13.774 403 HB2 LEU 49 HB2 LEU 49 -3.972 -2.286 -13.624 404 HB3 LEU 49 HB3 LEU 49 -4.099 -3.936 -14.173 405 HG LEU 49 HG LEU 49 -2.675 -3.254 -11.577 406 HD11 LEU 49 HD11 LEU 49 -5.571 -4.096 -11.962 407 HD12 LEU 49 HD12 LEU 49 -5.042 -2.452 -11.505 408 HD13 LEU 49 HD13 LEU 49 -4.776 -3.835 -10.429 409 HD21 LEU 49 HD21 LEU 49 -3.955 -5.799 -12.722 410 HD22 LEU 49 HD22 LEU 49 -3.254 -5.653 -11.108 411 HD23 LEU 49 HD23 LEU 49 -2.215 -5.503 -12.527 412 H ILE 50 H ILE 50 -2.665 -1.519 -16.115 413 HA ILE 50 HA ILE 50 -3.169 -3.472 -18.208 414 HB ILE 50 HB ILE 50 -2.781 -0.430 -18.343 415 HG12 ILE 50 HG12 ILE 50 -5.324 -1.994 -18.833 416 HG13 ILE 50 HG13 ILE 50 -4.852 -1.529 -17.207 417 HG21 ILE 50 HG21 ILE 50 -2.142 -1.389 -20.513 418 HG22 ILE 50 HG22 ILE 50 -3.736 -2.171 -20.621 419 HG23 ILE 50 HG23 ILE 50 -3.583 -0.397 -20.589 420 HD11 ILE 50 HD11 ILE 50 -4.830 0.861 -17.845 421 HD12 ILE 50 HD12 ILE 50 -5.388 0.423 -19.466 422 HD13 ILE 50 HD13 ILE 50 -6.419 0.100 -18.060 423 H ASP 51 H ASP 51 -0.555 -1.057 -17.571 424 HA ASP 51 HA ASP 51 1.130 -1.728 -19.627 425 HB2 ASP 51 HB2 ASP 51 1.147 0.174 -17.862 426 HB3 ASP 51 HB3 ASP 51 2.158 -0.913 -16.895 427 H PHE 52 H PHE 52 1.110 -3.227 -16.379 428 HA PHE 52 HA PHE 52 3.380 -4.951 -16.837 429 HB2 PHE 52 HB2 PHE 52 2.790 -4.222 -14.642 430 HB3 PHE 52 HB3 PHE 52 1.103 -4.694 -14.869 431 HD1 PHE 52 HD1 PHE 52 4.468 -5.870 -13.988 432 HD2 PHE 52 HD2 PHE 52 0.440 -7.103 -14.787 433 HE1 PHE 52 HE1 PHE 52 4.970 -8.119 -13.057 434 HE2 PHE 52 HE2 PHE 52 0.915 -9.347 -13.770 435 HZ PHE 52 HZ PHE 52 3.195 -9.855 -12.969 436 H LEU 53 H LEU 53 -0.182 -5.303 -17.201 437 HA LEU 53 HA LEU 53 0.087 -8.206 -17.534 438 HB2 LEU 53 HB2 LEU 53 -2.131 -6.208 -17.809 439 HB3 LEU 53 HB3 LEU 53 -2.372 -7.850 -18.402 440 HG LEU 53 HG LEU 53 -1.600 -7.228 -15.526 441 HD11 LEU 53 HD11 LEU 53 -4.369 -7.874 -16.577 442 HD12 LEU 53 HD12 LEU 53 -3.808 -6.239 -16.176 443 HD13 LEU 53 HD13 LEU 53 -3.871 -7.460 -14.909 444 HD21 LEU 53 HD21 LEU 53 -2.624 -9.739 -16.934 445 HD22 LEU 53 HD22 LEU 53 -2.529 -9.567 -15.171 446 HD23 LEU 53 HD23 LEU 53 -1.060 -9.520 -16.138 447 H THR 54 H THR 54 -0.517 -5.378 -19.689 448 HA THR 54 HA THR 54 -0.807 -6.928 -22.001 449 HB THR 54 HB THR 54 -1.431 -4.527 -21.549 450 HG1 THR 54 HG1 THR 54 -0.340 -5.476 -23.932 451 HG21 THR 54 HG21 THR 54 0.839 -3.742 -20.855 452 HG22 THR 54 HG22 THR 54 -0.015 -2.721 -21.982 453 HG23 THR 54 HG23 THR 54 1.307 -3.766 -22.559 454 H GLN 55 H GLN 55 2.128 -5.869 -20.345 455 HA GLN 55 HA GLN 55 3.805 -6.384 -22.701 456 HB2 GLN 55 HB2 GLN 55 5.644 -5.847 -21.323 457 HB3 GLN 55 HB3 GLN 55 4.326 -4.780 -20.852 458 HG2 GLN 55 HG2 GLN 55 4.830 -5.404 -18.721 459 HG3 GLN 55 HG3 GLN 55 3.917 -6.824 -19.103 460 HE21 GLN 55 HE21 GLN 55 4.990 -8.876 -19.089 461 HE22 GLN 55 HE22 GLN 55 6.702 -8.977 -18.753 462 H LEU 56 H LEU 56 2.349 -8.287 -20.154 463 HA LEU 56 HA LEU 56 4.191 -10.514 -20.538 464 HB2 LEU 56 HB2 LEU 56 3.591 -11.195 -18.533 465 HB3 LEU 56 HB3 LEU 56 2.912 -9.595 -18.367 466 HG LEU 56 HG LEU 56 0.642 -10.620 -19.006 467 HD11 LEU 56 HD11 LEU 56 0.387 -13.030 -18.449 468 HD12 LEU 56 HD12 LEU 56 2.165 -13.197 -18.408 469 HD13 LEU 56 HD13 LEU 56 1.326 -12.784 -19.911 470 HD21 LEU 56 HD21 LEU 56 0.301 -11.396 -16.699 471 HD22 LEU 56 HD22 LEU 56 1.328 -9.952 -16.713 472 HD23 LEU 56 HD23 LEU 56 2.057 -11.548 -16.470 473 H GLU 57 H GLU 57 0.903 -9.503 -21.369 474 HA GLU 57 HA GLU 57 -0.268 -11.756 -22.436 475 HB2 GLU 57 HB2 GLU 57 -1.293 -9.519 -22.110 476 HB3 GLU 57 HB3 GLU 57 -0.416 -8.940 -23.524 477 HG2 GLU 57 HG2 GLU 57 -2.644 -9.488 -24.160 478 HG3 GLU 57 HG3 GLU 57 -1.573 -10.634 -24.941 479 H SER 58 H SER 58 1.957 -9.523 -24.131 480 HA SER 58 HA SER 58 1.820 -10.830 -26.651 481 HB2 SER 58 HB2 SER 58 4.208 -9.292 -25.565 482 HB3 SER 58 HB3 SER 58 3.688 -9.463 -27.251 483 HG SER 58 HG SER 58 1.665 -8.362 -26.477 484 H GLU 59 H GLU 59 3.693 -11.586 -23.737 485 HA GLU 59 HA GLU 59 5.402 -13.460 -25.174 486 HB2 GLU 59 HB2 GLU 59 6.363 -11.933 -23.481 487 HB3 GLU 59 HB3 GLU 59 5.326 -12.648 -22.241 488 HG2 GLU 59 HG2 GLU 59 6.476 -14.766 -22.401 489 HG3 GLU 59 HG3 GLU 59 7.353 -14.252 -23.852 490 H GLU 60 H GLU 60 2.496 -13.431 -23.762 491 HA GLU 60 HA GLU 60 2.365 -16.315 -23.037 492 HB2 GLU 60 HB2 GLU 60 0.493 -13.956 -22.711 493 HB3 GLU 60 HB3 GLU 60 -0.221 -15.557 -22.816 494 HG2 GLU 60 HG2 GLU 60 1.926 -14.757 -20.833 495 HG3 GLU 60 HG3 GLU 60 0.189 -14.844 -20.489 496 H GLU 61 H GLU 61 0.172 -14.258 -25.039 497 HA GLU 61 HA GLU 61 0.551 -16.057 -27.334 498 HB2 GLU 61 HB2 GLU 61 -1.920 -16.281 -27.600 499 HB3 GLU 61 HB3 GLU 61 -1.172 -17.265 -26.358 500 HG2 GLU 61 HG2 GLU 61 -2.151 -16.014 -24.592 501 HG3 GLU 61 HG3 GLU 61 -2.624 -14.690 -25.662 502 H SER 62 H SER 62 1.449 -14.448 -28.461 503 HA SER 62 HA SER 62 0.706 -11.736 -28.558 504 HB2 SER 62 HB2 SER 62 2.831 -12.632 -29.415 505 HB3 SER 62 HB3 SER 62 1.991 -13.568 -30.649 506 HG SER 62 HG SER 62 2.876 -11.565 -31.443 Start of MODEL 9 1 H1 MET 1 H MET 1 4.060 1.690 -4.033 2 HA MET 1 HA MET 1 2.212 0.847 -1.874 3 HB2 MET 1 HB2 MET 1 1.532 2.170 -4.551 4 HB3 MET 1 HB3 MET 1 0.370 1.520 -3.403 5 HG2 MET 1 HG2 MET 1 0.387 3.785 -2.943 6 HG3 MET 1 HG3 MET 1 1.328 3.074 -1.658 7 HE1 MET 1 HE1 MET 1 0.859 5.976 -3.550 8 HE2 MET 1 HE2 MET 1 2.351 6.516 -4.319 9 HE3 MET 1 HE3 MET 1 1.432 5.160 -5.017 10 H LYS 2 H LYS 2 0.499 -0.716 -2.815 11 HA LYS 2 HA LYS 2 1.870 -3.009 -3.766 12 HB2 LYS 2 HB2 LYS 2 -0.374 -4.004 -4.088 13 HB3 LYS 2 HB3 LYS 2 0.004 -3.432 -2.475 14 HG2 LYS 2 HG2 LYS 2 -1.398 -1.333 -3.068 15 HG3 LYS 2 HG3 LYS 2 -1.949 -2.242 -4.482 16 HD2 LYS 2 HD2 LYS 2 -2.204 -3.116 -1.561 17 HD3 LYS 2 HD3 LYS 2 -3.478 -2.403 -2.540 18 HE2 LYS 2 HE2 LYS 2 -3.427 -4.331 -4.089 19 HE3 LYS 2 HE3 LYS 2 -2.110 -5.047 -3.154 20 HZ1 LYS 2 HZ1 LYS 2 -3.588 -5.235 -1.284 21 HZ2 LYS 2 HZ2 LYS 2 -4.152 -6.042 -2.571 22 HZ3 LYS 2 HZ3 LYS 2 -4.850 -4.596 -2.170 23 H ASN 3 H ASN 3 2.762 -3.211 -5.574 24 HA ASN 3 HA ASN 3 2.275 -1.771 -7.980 25 HB2 ASN 3 HB2 ASN 3 4.045 -3.428 -8.823 26 HB3 ASN 3 HB3 ASN 3 4.502 -2.581 -7.351 27 HD21 ASN 3 HD21 ASN 3 4.200 -5.740 -8.642 28 HD22 ASN 3 HD22 ASN 3 3.981 -6.578 -7.102 29 H ALA 4 H ALA 4 1.980 -2.861 -10.093 30 HA ALA 4 HA ALA 4 -0.533 -3.948 -10.384 31 HB1 ALA 4 HB1 ALA 4 0.223 -4.677 -12.650 32 HB2 ALA 4 HB2 ALA 4 0.651 -3.010 -12.265 33 HB3 ALA 4 HB3 ALA 4 1.884 -4.302 -12.199 34 H ALA 5 H ALA 5 2.508 -5.932 -10.389 35 HA ALA 5 HA ALA 5 1.211 -8.418 -10.687 36 HB1 ALA 5 HB1 ALA 5 3.749 -7.862 -9.103 37 HB2 ALA 5 HB2 ALA 5 3.226 -9.411 -9.713 38 HB3 ALA 5 HB3 ALA 5 3.683 -8.131 -10.869 39 H LYS 6 H LYS 6 1.706 -6.424 -7.772 40 HA LYS 6 HA LYS 6 1.300 -8.355 -5.780 41 HB2 LYS 6 HB2 LYS 6 1.926 -5.754 -5.917 42 HB3 LYS 6 HB3 LYS 6 0.252 -5.539 -5.506 43 HG2 LYS 6 HG2 LYS 6 2.195 -7.246 -3.890 44 HG3 LYS 6 HG3 LYS 6 2.015 -5.505 -3.685 45 HD2 LYS 6 HD2 LYS 6 0.493 -6.008 -2.134 46 HD3 LYS 6 HD3 LYS 6 -0.604 -6.218 -3.504 47 HE2 LYS 6 HE2 LYS 6 -0.203 -8.605 -3.526 48 HE3 LYS 6 HE3 LYS 6 1.021 -8.440 -2.243 49 HZ1 LYS 6 HZ1 LYS 6 -1.026 -9.035 -1.215 50 HZ2 LYS 6 HZ2 LYS 6 -1.873 -7.847 -2.008 51 HZ3 LYS 6 HZ3 LYS 6 -0.789 -7.466 -0.843 52 H ILE 7 H ILE 7 -1.062 -6.192 -7.390 53 HA ILE 7 HA ILE 7 -3.329 -7.420 -6.046 54 HB ILE 7 HB ILE 7 -3.682 -5.990 -8.677 55 HG12 ILE 7 HG12 ILE 7 -3.977 -3.930 -6.845 56 HG13 ILE 7 HG13 ILE 7 -2.547 -4.751 -6.210 57 HG21 ILE 7 HG21 ILE 7 -5.647 -6.986 -7.572 58 HG22 ILE 7 HG22 ILE 7 -5.310 -6.049 -6.110 59 HG23 ILE 7 HG23 ILE 7 -5.751 -5.227 -7.617 60 HD11 ILE 7 HD11 ILE 7 -1.868 -3.049 -7.793 61 HD12 ILE 7 HD12 ILE 7 -1.620 -4.643 -8.553 62 HD13 ILE 7 HD13 ILE 7 -3.014 -3.670 -9.009 63 H VAL 8 H VAL 8 -1.671 -8.066 -9.135 64 HA VAL 8 HA VAL 8 -3.664 -9.760 -10.219 65 HB VAL 8 HB VAL 8 -0.673 -9.749 -10.573 66 HG11 VAL 8 HG11 VAL 8 -1.048 -11.074 -12.684 67 HG12 VAL 8 HG12 VAL 8 -1.403 -11.999 -11.229 68 HG13 VAL 8 HG13 VAL 8 -2.737 -11.331 -12.190 69 HG21 VAL 8 HG21 VAL 8 -2.960 -8.840 -12.418 70 HG22 VAL 8 HG22 VAL 8 -1.997 -7.756 -11.417 71 HG23 VAL 8 HG23 VAL 8 -1.234 -8.635 -12.739 72 H ASN 9 H ASN 9 -0.883 -10.622 -8.226 73 HA ASN 9 HA ASN 9 -1.377 -13.369 -8.055 74 HB2 ASN 9 HB2 ASN 9 0.463 -13.267 -6.826 75 HB3 ASN 9 HB3 ASN 9 0.375 -11.503 -6.858 76 HD21 ASN 9 HD21 ASN 9 -0.418 -10.419 -5.056 77 HD22 ASN 9 HD22 ASN 9 -0.563 -11.212 -3.475 78 H GLU 10 H GLU 10 -2.880 -10.731 -6.228 79 HA GLU 10 HA GLU 10 -4.255 -12.465 -4.384 80 HB2 GLU 10 HB2 GLU 10 -4.808 -9.574 -5.216 81 HB3 GLU 10 HB3 GLU 10 -5.699 -10.435 -3.957 82 HG2 GLU 10 HG2 GLU 10 -3.610 -10.764 -2.674 83 HG3 GLU 10 HG3 GLU 10 -2.703 -9.905 -3.917 84 H ALA 11 H ALA 11 -5.139 -10.921 -7.531 85 HA ALA 11 HA ALA 11 -7.856 -11.716 -7.522 86 HB1 ALA 11 HB1 ALA 11 -6.915 -10.080 -9.097 87 HB2 ALA 11 HB2 ALA 11 -5.985 -11.372 -9.907 88 HB3 ALA 11 HB3 ALA 11 -7.750 -11.391 -9.957 89 H LEU 12 H LEU 12 -4.970 -13.386 -8.832 90 HA LEU 12 HA LEU 12 -6.316 -15.683 -9.778 91 HB2 LEU 12 HB2 LEU 12 -3.602 -15.736 -8.444 92 HB3 LEU 12 HB3 LEU 12 -4.214 -16.866 -9.643 93 HG LEU 12 HG LEU 12 -3.373 -13.983 -10.124 94 HD11 LEU 12 HD11 LEU 12 -1.575 -15.695 -9.776 95 HD12 LEU 12 HD12 LEU 12 -1.554 -14.905 -11.350 96 HD13 LEU 12 HD13 LEU 12 -2.199 -16.553 -11.205 97 HD21 LEU 12 HD21 LEU 12 -5.214 -14.359 -11.578 98 HD22 LEU 12 HD22 LEU 12 -4.604 -15.949 -12.062 99 HD23 LEU 12 HD23 LEU 12 -3.740 -14.459 -12.524 100 H ASN 13 H ASN 13 -5.097 -14.922 -6.500 101 HA ASN 13 HA ASN 13 -5.614 -17.457 -5.319 102 HB2 ASN 13 HB2 ASN 13 -5.570 -14.715 -4.012 103 HB3 ASN 13 HB3 ASN 13 -5.683 -16.243 -3.149 104 HD21 ASN 13 HD21 ASN 13 -3.540 -14.563 -2.536 105 HD22 ASN 13 HD22 ASN 13 -2.103 -15.356 -3.144 106 H GLN 14 H GLN 14 -7.798 -14.658 -5.789 107 HA GLN 14 HA GLN 14 -9.949 -16.119 -4.422 108 HB2 GLN 14 HB2 GLN 14 -9.702 -13.352 -5.568 109 HB3 GLN 14 HB3 GLN 14 -11.284 -14.048 -5.231 110 HG2 GLN 14 HG2 GLN 14 -10.731 -12.923 -3.244 111 HG3 GLN 14 HG3 GLN 14 -10.458 -14.618 -2.872 112 HE21 GLN 14 HE21 GLN 14 -8.977 -11.580 -3.688 113 HE22 GLN 14 HE22 GLN 14 -7.299 -11.947 -3.343 114 H GLY 15 H GLY 15 -8.593 -16.652 -7.339 115 HA2 GLY 15 HA2 GLY 15 -9.270 -18.061 -8.999 116 HA3 GLY 15 HA3 GLY 15 -10.926 -18.043 -8.365 117 H ILE 16 H ILE 16 -8.810 -15.271 -9.348 118 HA ILE 16 HA ILE 16 -10.688 -14.705 -11.589 119 HB ILE 16 HB ILE 16 -9.542 -12.856 -9.488 120 HG12 ILE 16 HG12 ILE 16 -12.496 -12.992 -10.052 121 HG13 ILE 16 HG13 ILE 16 -11.825 -14.348 -9.188 122 HG21 ILE 16 HG21 ILE 16 -9.475 -11.652 -11.577 123 HG22 ILE 16 HG22 ILE 16 -11.169 -12.085 -11.927 124 HG23 ILE 16 HG23 ILE 16 -10.755 -11.033 -10.547 125 HD11 ILE 16 HD11 ILE 16 -10.739 -12.734 -7.574 126 HD12 ILE 16 HD12 ILE 16 -11.811 -11.495 -8.297 127 HD13 ILE 16 HD13 ILE 16 -12.489 -12.923 -7.489 128 H THR 17 H THR 17 -9.753 -14.367 -13.461 129 HA THR 17 HA THR 17 -6.809 -14.171 -13.630 130 HB THR 17 HB THR 17 -8.990 -14.911 -15.637 131 HG1 THR 17 HG1 THR 17 -8.451 -16.481 -14.117 132 HG21 THR 17 HG21 THR 17 -7.025 -15.425 -17.138 133 HG22 THR 17 HG22 THR 17 -5.986 -14.555 -15.979 134 HG23 THR 17 HG23 THR 17 -7.285 -13.698 -16.840 135 H LEU 18 H LEU 18 -6.012 -12.122 -13.929 136 HA LEU 18 HA LEU 18 -7.848 -10.002 -14.924 137 HB2 LEU 18 HB2 LEU 18 -5.128 -9.973 -13.560 138 HB3 LEU 18 HB3 LEU 18 -5.849 -8.551 -14.388 139 HG LEU 18 HG LEU 18 -7.350 -10.013 -12.203 140 HD11 LEU 18 HD11 LEU 18 -6.337 -8.463 -10.586 141 HD12 LEU 18 HD12 LEU 18 -5.326 -7.742 -11.862 142 HD13 LEU 18 HD13 LEU 18 -5.151 -9.447 -11.400 143 HD21 LEU 18 HD21 LEU 18 -7.453 -7.045 -12.723 144 HD22 LEU 18 HD22 LEU 18 -8.713 -8.174 -12.160 145 HD23 LEU 18 HD23 LEU 18 -8.291 -8.159 -13.844 146 H PHE 19 H PHE 19 -7.461 -9.041 -16.888 147 HA PHE 19 HA PHE 19 -4.973 -9.471 -18.333 148 HB2 PHE 19 HB2 PHE 19 -5.782 -10.737 -20.097 149 HB3 PHE 19 HB3 PHE 19 -6.577 -11.505 -18.735 150 HD1 PHE 19 HD1 PHE 19 -7.051 -9.758 -21.883 151 HD2 PHE 19 HD2 PHE 19 -9.031 -11.024 -18.258 152 HE1 PHE 19 HE1 PHE 19 -9.235 -9.523 -22.988 153 HE2 PHE 19 HE2 PHE 19 -11.212 -10.623 -19.331 154 HZ PHE 19 HZ PHE 19 -11.343 -9.906 -21.718 155 H VAL 20 H VAL 20 -5.084 -7.986 -20.366 156 HA VAL 20 HA VAL 20 -7.110 -5.878 -19.963 157 HB VAL 20 HB VAL 20 -5.511 -4.521 -19.726 158 HG11 VAL 20 HG11 VAL 20 -3.157 -4.965 -19.647 159 HG12 VAL 20 HG12 VAL 20 -4.154 -6.086 -18.731 160 HG13 VAL 20 HG13 VAL 20 -3.429 -6.586 -20.299 161 HG21 VAL 20 HG21 VAL 20 -4.536 -5.197 -22.509 162 HG22 VAL 20 HG22 VAL 20 -5.689 -3.947 -22.036 163 HG23 VAL 20 HG23 VAL 20 -3.976 -3.837 -21.574 164 H SER 21 H SER 21 -8.268 -5.266 -21.621 165 HA SER 21 HA SER 21 -7.912 -6.648 -24.235 166 HB2 SER 21 HB2 SER 21 -9.837 -7.396 -22.580 167 HB3 SER 21 HB3 SER 21 -10.521 -5.838 -23.057 168 HG SER 21 HG SER 21 -9.776 -7.881 -24.897 169 H ASP 22 H ASP 22 -7.418 -5.115 -25.631 170 HA ASP 22 HA ASP 22 -7.224 -3.169 -26.761 171 HB2 ASP 22 HB2 ASP 22 -9.629 -3.708 -27.094 172 HB3 ASP 22 HB3 ASP 22 -10.046 -2.696 -25.723 173 H ASN 23 H ASN 23 -5.876 -3.197 -24.656 174 HA ASN 23 HA ASN 23 -4.624 -1.967 -23.160 175 HB2 ASN 23 HB2 ASN 23 -4.731 -0.485 -25.407 176 HB3 ASN 23 HB3 ASN 23 -5.492 0.665 -24.328 177 HD21 ASN 23 HD21 ASN 23 -2.763 -1.622 -24.489 178 HD22 ASN 23 HD22 ASN 23 -1.562 -0.592 -23.737 179 H LYS 24 H LYS 24 -7.282 -2.642 -22.369 180 HA LYS 24 HA LYS 24 -7.573 -0.655 -20.208 181 HB2 LYS 24 HB2 LYS 24 -9.180 -0.263 -22.090 182 HB3 LYS 24 HB3 LYS 24 -9.838 -1.876 -21.849 183 HG2 LYS 24 HG2 LYS 24 -11.256 -0.252 -20.760 184 HG3 LYS 24 HG3 LYS 24 -10.453 -1.156 -19.467 185 HD2 LYS 24 HD2 LYS 24 -8.920 0.706 -19.053 186 HD3 LYS 24 HD3 LYS 24 -9.462 1.531 -20.538 187 HE2 LYS 24 HE2 LYS 24 -11.803 1.580 -19.512 188 HE3 LYS 24 HE3 LYS 24 -11.067 1.042 -17.992 189 HZ1 LYS 24 HZ1 LYS 24 -11.239 3.406 -17.988 190 HZ2 LYS 24 HZ2 LYS 24 -10.542 3.564 -19.451 191 HZ3 LYS 24 HZ3 LYS 24 -9.626 3.089 -18.181 192 H LEU 25 H LEU 25 -7.601 -1.637 -18.300 193 HA LEU 25 HA LEU 25 -7.088 -4.369 -17.852 194 HB2 LEU 25 HB2 LEU 25 -6.604 -2.511 -16.298 195 HB3 LEU 25 HB3 LEU 25 -8.328 -2.242 -16.060 196 HG LEU 25 HG LEU 25 -8.584 -4.453 -15.057 197 HD11 LEU 25 HD11 LEU 25 -6.476 -5.747 -14.422 198 HD12 LEU 25 HD12 LEU 25 -5.627 -4.781 -15.646 199 HD13 LEU 25 HD13 LEU 25 -6.963 -5.868 -16.104 200 HD21 LEU 25 HD21 LEU 25 -7.974 -2.486 -13.664 201 HD22 LEU 25 HD22 LEU 25 -6.270 -2.911 -13.845 202 HD23 LEU 25 HD23 LEU 25 -7.373 -4.018 -13.000 203 H LYS 26 H LYS 26 -8.369 -6.112 -17.653 204 HA LYS 26 HA LYS 26 -11.301 -5.887 -17.272 205 HB2 LYS 26 HB2 LYS 26 -9.738 -7.065 -19.572 206 HB3 LYS 26 HB3 LYS 26 -10.881 -8.156 -18.814 207 HG2 LYS 26 HG2 LYS 26 -12.062 -7.196 -20.532 208 HG3 LYS 26 HG3 LYS 26 -12.641 -6.487 -19.010 209 HD2 LYS 26 HD2 LYS 26 -11.601 -4.360 -19.555 210 HD3 LYS 26 HD3 LYS 26 -10.520 -5.133 -20.726 211 HE2 LYS 26 HE2 LYS 26 -12.539 -5.637 -22.146 212 HE3 LYS 26 HE3 LYS 26 -13.507 -4.651 -21.053 213 HZ1 LYS 26 HZ1 LYS 26 -12.220 -2.751 -21.675 214 HZ2 LYS 26 HZ2 LYS 26 -12.732 -3.506 -23.045 215 HZ3 LYS 26 HZ3 LYS 26 -11.164 -3.656 -22.598 216 H TYR 27 H TYR 27 -12.117 -8.098 -16.567 217 HA TYR 27 HA TYR 27 -10.116 -9.757 -15.260 218 HB2 TYR 27 HB2 TYR 27 -10.956 -9.506 -12.965 219 HB3 TYR 27 HB3 TYR 27 -10.935 -7.920 -13.628 220 HD1 TYR 27 HD1 TYR 27 -12.980 -6.649 -13.967 221 HD2 TYR 27 HD2 TYR 27 -13.096 -10.780 -12.720 222 HE1 TYR 27 HE1 TYR 27 -15.371 -6.406 -13.405 223 HE2 TYR 27 HE2 TYR 27 -15.480 -10.548 -12.142 224 HH TYR 27 HH TYR 27 -17.174 -7.488 -12.078 225 H LYS 28 H LYS 28 -10.738 -11.877 -15.079 226 HA LYS 28 HA LYS 28 -13.344 -12.760 -16.270 227 HB2 LYS 28 HB2 LYS 28 -10.459 -13.582 -16.813 228 HB3 LYS 28 HB3 LYS 28 -11.744 -14.759 -16.998 229 HG2 LYS 28 HG2 LYS 28 -12.264 -12.145 -18.313 230 HG3 LYS 28 HG3 LYS 28 -10.874 -13.029 -18.958 231 HD2 LYS 28 HD2 LYS 28 -13.639 -14.258 -18.642 232 HD3 LYS 28 HD3 LYS 28 -13.068 -13.444 -20.117 233 HE2 LYS 28 HE2 LYS 28 -11.113 -14.973 -20.210 234 HE3 LYS 28 HE3 LYS 28 -11.713 -15.847 -18.804 235 HZ1 LYS 28 HZ1 LYS 28 -13.343 -15.565 -21.242 236 HZ2 LYS 28 HZ2 LYS 28 -13.569 -16.612 -20.010 237 HZ3 LYS 28 HZ3 LYS 28 -12.301 -16.824 -21.019 238 H THR 29 H THR 29 -14.214 -14.605 -15.289 239 HA THR 29 HA THR 29 -12.902 -16.322 -13.471 240 HB THR 29 HB THR 29 -12.806 -14.369 -11.984 241 HG1 THR 29 HG1 THR 29 -13.062 -16.091 -10.816 242 HG21 THR 29 HG21 THR 29 -14.550 -12.955 -12.828 243 HG22 THR 29 HG22 THR 29 -14.922 -13.336 -11.141 244 HG23 THR 29 HG23 THR 29 -15.809 -14.140 -12.446 245 H ASN 30 H ASN 30 -14.841 -17.320 -12.089 246 HA ASN 30 HA ASN 30 -17.049 -18.010 -14.005 247 HB2 ASN 30 HB2 ASN 30 -15.831 -19.715 -11.788 248 HB3 ASN 30 HB3 ASN 30 -17.124 -20.196 -12.861 249 HD21 ASN 30 HD21 ASN 30 -16.581 -21.147 -14.838 250 HD22 ASN 30 HD22 ASN 30 -14.928 -21.394 -15.354 251 H ARG 31 H ARG 31 -16.455 -16.182 -11.242 252 HA ARG 31 HA ARG 31 -19.192 -16.699 -10.195 253 HB2 ARG 31 HB2 ARG 31 -18.321 -16.498 -7.926 254 HB3 ARG 31 HB3 ARG 31 -17.492 -17.802 -8.773 255 HG2 ARG 31 HG2 ARG 31 -15.842 -15.538 -9.209 256 HG3 ARG 31 HG3 ARG 31 -16.410 -15.324 -7.567 257 HD2 ARG 31 HD2 ARG 31 -15.054 -17.806 -8.704 258 HD3 ARG 31 HD3 ARG 31 -14.229 -16.526 -7.804 259 HE ARG 31 HE ARG 31 -15.968 -17.125 -5.952 260 HH11 ARG 31 HH11 ARG 31 -14.012 -19.356 -7.926 261 HH12 ARG 31 HH12 ARG 31 -14.297 -20.700 -6.861 262 HH21 ARG 31 HH21 ARG 31 -16.138 -18.896 -4.468 263 HH22 ARG 31 HH22 ARG 31 -15.199 -20.321 -4.724 264 H ASP 32 H ASP 32 -20.298 -14.879 -9.454 265 HA ASP 32 HA ASP 32 -19.100 -12.251 -10.248 266 HB2 ASP 32 HB2 ASP 32 -21.942 -12.982 -9.442 267 HB3 ASP 32 HB3 ASP 32 -21.404 -11.375 -9.910 268 H SER 33 H SER 33 -19.421 -14.248 -7.600 269 HA SER 33 HA SER 33 -19.822 -12.422 -5.460 270 HB2 SER 33 HB2 SER 33 -20.311 -14.835 -5.458 271 HB3 SER 33 HB3 SER 33 -18.585 -15.202 -5.560 272 HG SER 33 HG SER 33 -18.417 -13.812 -3.646 273 H ILE 34 H ILE 34 -17.378 -11.941 -7.479 274 HA ILE 34 HA ILE 34 -15.042 -12.254 -5.914 275 HB ILE 34 HB ILE 34 -13.951 -10.792 -7.468 276 HG12 ILE 34 HG12 ILE 34 -15.416 -9.863 -9.433 277 HG13 ILE 34 HG13 ILE 34 -16.694 -9.791 -8.246 278 HG21 ILE 34 HG21 ILE 34 -16.041 -12.351 -9.032 279 HG22 ILE 34 HG22 ILE 34 -14.385 -11.954 -9.497 280 HG23 ILE 34 HG23 ILE 34 -14.679 -13.109 -8.180 281 HD11 ILE 34 HD11 ILE 34 -15.362 -7.673 -8.556 282 HD12 ILE 34 HD12 ILE 34 -15.367 -8.224 -6.884 283 HD13 ILE 34 HD13 ILE 34 -13.932 -8.489 -7.895 284 HA PRO 35 HA PRO 35 -15.569 -9.112 -2.892 285 HB2 PRO 35 HB2 PRO 35 -13.030 -8.466 -2.208 286 HB3 PRO 35 HB3 PRO 35 -13.732 -10.073 -1.841 287 HG2 PRO 35 HG2 PRO 35 -11.970 -9.277 -4.155 288 HG3 PRO 35 HG3 PRO 35 -11.802 -10.711 -3.091 289 HD2 PRO 35 HD2 PRO 35 -13.006 -10.821 -5.543 290 HD3 PRO 35 HD3 PRO 35 -13.575 -11.821 -4.179 291 H SER 36 H SER 36 -15.981 -6.869 -2.902 292 HA SER 36 HA SER 36 -15.336 -5.417 -5.280 293 HB2 SER 36 HB2 SER 36 -17.343 -4.881 -3.970 294 HB3 SER 36 HB3 SER 36 -16.327 -4.332 -2.629 295 HG SER 36 HG SER 36 -15.366 -2.903 -4.345 296 H GLU 37 H GLU 37 -13.365 -6.143 -2.512 297 HA GLU 37 HA GLU 37 -11.826 -3.744 -2.426 298 HB2 GLU 37 HB2 GLU 37 -10.265 -4.882 -1.130 299 HB3 GLU 37 HB3 GLU 37 -11.776 -5.722 -0.770 300 HG2 GLU 37 HG2 GLU 37 -11.055 -7.473 -2.489 301 HG3 GLU 37 HG3 GLU 37 -9.493 -6.653 -2.548 302 H LEU 38 H LEU 38 -11.807 -6.579 -4.547 303 HA LEU 38 HA LEU 38 -9.409 -5.951 -6.007 304 HB2 LEU 38 HB2 LEU 38 -11.668 -7.905 -6.237 305 HB3 LEU 38 HB3 LEU 38 -10.889 -7.507 -7.752 306 HG LEU 38 HG LEU 38 -8.769 -8.313 -7.031 307 HD11 LEU 38 HD11 LEU 38 -9.903 -8.648 -4.195 308 HD12 LEU 38 HD12 LEU 38 -8.642 -7.498 -4.670 309 HD13 LEU 38 HD13 LEU 38 -8.312 -9.218 -4.738 310 HD21 LEU 38 HD21 LEU 38 -10.932 -10.174 -6.008 311 HD22 LEU 38 HD22 LEU 38 -9.264 -10.650 -6.338 312 HD23 LEU 38 HD23 LEU 38 -10.297 -10.060 -7.655 313 H LEU 39 H LEU 39 -12.900 -5.285 -6.598 314 HA LEU 39 HA LEU 39 -12.604 -3.998 -9.089 315 HB2 LEU 39 HB2 LEU 39 -14.494 -3.250 -6.802 316 HB3 LEU 39 HB3 LEU 39 -14.624 -2.653 -8.438 317 HG LEU 39 HG LEU 39 -14.900 -5.566 -7.635 318 HD11 LEU 39 HD11 LEU 39 -17.038 -3.538 -8.442 319 HD12 LEU 39 HD12 LEU 39 -16.723 -4.079 -6.785 320 HD13 LEU 39 HD13 LEU 39 -17.292 -5.237 -7.981 321 HD21 LEU 39 HD21 LEU 39 -14.130 -5.314 -9.976 322 HD22 LEU 39 HD22 LEU 39 -15.447 -4.163 -10.298 323 HD23 LEU 39 HD23 LEU 39 -15.803 -5.863 -9.925 324 H GLU 40 H GLU 40 -12.345 -2.655 -5.801 325 HA GLU 40 HA GLU 40 -11.832 0.025 -6.675 326 HB2 GLU 40 HB2 GLU 40 -11.396 -1.392 -4.012 327 HB3 GLU 40 HB3 GLU 40 -11.151 0.338 -4.283 328 HG2 GLU 40 HG2 GLU 40 -13.620 0.071 -5.366 329 HG3 GLU 40 HG3 GLU 40 -13.710 -1.232 -4.189 330 H GLU 41 H GLU 41 -9.564 -2.557 -5.450 331 HA GLU 41 HA GLU 41 -7.260 -0.977 -5.711 332 HB2 GLU 41 HB2 GLU 41 -7.776 -3.533 -4.831 333 HB3 GLU 41 HB3 GLU 41 -6.998 -3.880 -6.358 334 HG2 GLU 41 HG2 GLU 41 -5.172 -3.754 -4.946 335 HG3 GLU 41 HG3 GLU 41 -5.214 -2.080 -5.476 336 H TRP 42 H TRP 42 -8.939 -3.039 -8.068 337 HA TRP 42 HA TRP 42 -7.010 -2.883 -10.138 338 HB2 TRP 42 HB2 TRP 42 -10.029 -3.162 -10.247 339 HB3 TRP 42 HB3 TRP 42 -8.971 -3.329 -11.638 340 HD1 TRP 42 HD1 TRP 42 -6.807 -5.030 -9.598 341 HE1 TRP 42 HE1 TRP 42 -7.287 -7.497 -9.220 342 HE3 TRP 42 HE3 TRP 42 -11.749 -5.075 -10.921 343 HZ2 TRP 42 HZ2 TRP 42 -9.506 -9.310 -9.574 344 HZ3 TRP 42 HZ3 TRP 42 -13.047 -7.193 -10.829 345 HH2 TRP 42 HH2 TRP 42 -11.971 -9.289 -10.171 346 H LYS 43 H LYS 43 -9.732 -0.724 -9.317 347 HA LYS 43 HA LYS 43 -9.266 1.019 -11.635 348 HB2 LYS 43 HB2 LYS 43 -11.454 0.956 -10.807 349 HB3 LYS 43 HB3 LYS 43 -10.989 1.085 -9.118 350 HG2 LYS 43 HG2 LYS 43 -10.500 3.392 -11.013 351 HG3 LYS 43 HG3 LYS 43 -12.114 3.095 -10.387 352 HD2 LYS 43 HD2 LYS 43 -10.074 3.089 -8.215 353 HD3 LYS 43 HD3 LYS 43 -10.124 4.582 -9.140 354 HE2 LYS 43 HE2 LYS 43 -11.622 5.018 -7.464 355 HE3 LYS 43 HE3 LYS 43 -12.655 4.591 -8.811 356 HZ1 LYS 43 HZ1 LYS 43 -11.974 2.863 -6.498 357 HZ2 LYS 43 HZ2 LYS 43 -12.948 2.368 -7.759 358 HZ3 LYS 43 HZ3 LYS 43 -13.389 3.588 -6.772 359 H GLN 44 H GLN 44 -8.053 0.896 -8.313 360 HA GLN 44 HA GLN 44 -6.952 3.560 -8.264 361 HB2 GLN 44 HB2 GLN 44 -6.299 0.992 -6.768 362 HB3 GLN 44 HB3 GLN 44 -5.509 2.526 -6.429 363 HG2 GLN 44 HG2 GLN 44 -7.467 3.502 -5.582 364 HG3 GLN 44 HG3 GLN 44 -8.533 2.352 -6.339 365 HE21 GLN 44 HE21 GLN 44 -5.556 1.772 -4.303 366 HE22 GLN 44 HE22 GLN 44 -6.352 0.529 -3.379 367 H HIS 45 H HIS 45 -5.496 0.341 -8.891 368 HA HIS 45 HA HIS 45 -3.093 1.600 -10.040 369 HB2 HIS 45 HB2 HIS 45 -3.699 -1.247 -9.153 370 HB3 HIS 45 HB3 HIS 45 -2.137 -0.676 -9.696 371 HD1 HIS 45 HD1 HIS 45 -0.827 1.072 -8.122 372 HD2 HIS 45 HD2 HIS 45 -4.421 -0.510 -6.630 373 HE1 HIS 45 HE1 HIS 45 -0.879 1.608 -5.608 374 H LYS 46 H LYS 46 -5.687 1.389 -11.518 375 HA LYS 46 HA LYS 46 -5.672 -0.733 -13.361 376 HB2 LYS 46 HB2 LYS 46 -7.151 0.604 -14.790 377 HB3 LYS 46 HB3 LYS 46 -7.654 0.624 -13.126 378 HG2 LYS 46 HG2 LYS 46 -7.973 2.785 -13.462 379 HG3 LYS 46 HG3 LYS 46 -6.259 2.911 -13.050 380 HD2 LYS 46 HD2 LYS 46 -5.740 2.802 -15.538 381 HD3 LYS 46 HD3 LYS 46 -7.486 2.773 -15.838 382 HE2 LYS 46 HE2 LYS 46 -7.793 4.921 -14.863 383 HE3 LYS 46 HE3 LYS 46 -6.191 4.922 -14.135 384 HZ1 LYS 46 HZ1 LYS 46 -5.259 5.158 -16.400 385 HZ2 LYS 46 HZ2 LYS 46 -6.360 6.341 -16.097 386 HZ3 LYS 46 HZ3 LYS 46 -6.773 5.057 -17.041 387 H GLN 47 H GLN 47 -3.926 2.342 -13.493 388 HA GLN 47 HA GLN 47 -3.226 2.125 -16.167 389 HB2 GLN 47 HB2 GLN 47 -3.243 4.162 -14.586 390 HB3 GLN 47 HB3 GLN 47 -1.715 3.558 -13.928 391 HG2 GLN 47 HG2 GLN 47 -1.371 5.278 -15.672 392 HG3 GLN 47 HG3 GLN 47 -0.681 3.727 -16.138 393 HE21 GLN 47 HE21 GLN 47 -1.390 2.745 -17.925 394 HE22 GLN 47 HE22 GLN 47 -2.683 3.299 -18.977 395 H GLU 48 H GLU 48 -1.313 1.372 -13.214 396 HA GLU 48 HA GLU 48 0.857 0.297 -14.784 397 HB2 GLU 48 HB2 GLU 48 1.678 -0.588 -12.647 398 HB3 GLU 48 HB3 GLU 48 1.388 1.135 -12.630 399 HG2 GLU 48 HG2 GLU 48 -0.823 -0.642 -11.618 400 HG3 GLU 48 HG3 GLU 48 0.627 -0.552 -10.658 401 H LEU 49 H LEU 49 -2.100 -1.126 -13.413 402 HA LEU 49 HA LEU 49 -1.374 -3.861 -13.726 403 HB2 LEU 49 HB2 LEU 49 -3.991 -2.363 -13.627 404 HB3 LEU 49 HB3 LEU 49 -4.016 -4.055 -14.052 405 HG LEU 49 HG LEU 49 -2.673 -3.103 -11.500 406 HD11 LEU 49 HD11 LEU 49 -5.110 -2.489 -11.531 407 HD12 LEU 49 HD12 LEU 49 -4.731 -3.717 -10.323 408 HD13 LEU 49 HD13 LEU 49 -5.495 -4.204 -11.835 409 HD21 LEU 49 HD21 LEU 49 -2.040 -5.383 -12.294 410 HD22 LEU 49 HD22 LEU 49 -3.753 -5.821 -12.409 411 HD23 LEU 49 HD23 LEU 49 -3.024 -5.468 -10.833 412 H ILE 50 H ILE 50 -2.666 -1.530 -16.079 413 HA ILE 50 HA ILE 50 -3.223 -3.482 -18.120 414 HB ILE 50 HB ILE 50 -2.834 -0.441 -18.124 415 HG12 ILE 50 HG12 ILE 50 -5.298 -2.026 -18.877 416 HG13 ILE 50 HG13 ILE 50 -4.919 -1.663 -17.197 417 HG21 ILE 50 HG21 ILE 50 -3.574 -0.287 -20.429 418 HG22 ILE 50 HG22 ILE 50 -2.079 -1.204 -20.351 419 HG23 ILE 50 HG23 ILE 50 -3.622 -2.047 -20.551 420 HD11 ILE 50 HD11 ILE 50 -6.480 0.005 -17.981 421 HD12 ILE 50 HD12 ILE 50 -4.911 0.783 -17.726 422 HD13 ILE 50 HD13 ILE 50 -5.454 0.403 -19.368 423 H ASP 51 H ASP 51 -0.602 -1.105 -17.607 424 HA ASP 51 HA ASP 51 0.988 -1.881 -19.761 425 HB2 ASP 51 HB2 ASP 51 1.037 0.124 -17.922 426 HB3 ASP 51 HB3 ASP 51 2.302 -0.883 -17.234 427 H PHE 52 H PHE 52 0.931 -3.225 -16.484 428 HA PHE 52 HA PHE 52 3.219 -4.981 -16.923 429 HB2 PHE 52 HB2 PHE 52 2.725 -4.245 -14.707 430 HB3 PHE 52 HB3 PHE 52 1.026 -4.709 -14.848 431 HD1 PHE 52 HD1 PHE 52 4.457 -6.248 -15.101 432 HD2 PHE 52 HD2 PHE 52 0.340 -6.799 -13.959 433 HE1 PHE 52 HE1 PHE 52 5.001 -8.506 -14.218 434 HE2 PHE 52 HE2 PHE 52 0.907 -9.075 -13.077 435 HZ PHE 52 HZ PHE 52 3.223 -9.903 -13.199 436 H LEU 53 H LEU 53 -0.382 -5.360 -17.095 437 HA LEU 53 HA LEU 53 -0.077 -8.256 -17.356 438 HB2 LEU 53 HB2 LEU 53 -2.322 -6.280 -17.611 439 HB3 LEU 53 HB3 LEU 53 -2.594 -7.898 -18.186 440 HG LEU 53 HG LEU 53 -1.638 -7.369 -15.337 441 HD11 LEU 53 HD11 LEU 53 -4.502 -7.724 -16.341 442 HD12 LEU 53 HD12 LEU 53 -3.796 -6.189 -15.815 443 HD13 LEU 53 HD13 LEU 53 -3.950 -7.496 -14.646 444 HD21 LEU 53 HD21 LEU 53 -2.705 -9.633 -15.007 445 HD22 LEU 53 HD22 LEU 53 -1.331 -9.676 -16.118 446 HD23 LEU 53 HD23 LEU 53 -2.979 -9.712 -16.772 447 H THR 54 H THR 54 -0.645 -5.557 -19.626 448 HA THR 54 HA THR 54 -1.183 -7.304 -21.811 449 HB THR 54 HB THR 54 -1.811 -4.937 -21.318 450 HG1 THR 54 HG1 THR 54 -2.258 -6.127 -23.214 451 HG21 THR 54 HG21 THR 54 0.488 -4.013 -21.066 452 HG22 THR 54 HG22 THR 54 -0.655 -3.075 -22.012 453 HG23 THR 54 HG23 THR 54 0.605 -4.049 -22.843 454 H GLN 55 H GLN 55 1.838 -6.084 -20.446 455 HA GLN 55 HA GLN 55 3.413 -6.672 -22.780 456 HB2 GLN 55 HB2 GLN 55 5.282 -6.258 -21.358 457 HB3 GLN 55 HB3 GLN 55 3.987 -5.093 -20.990 458 HG2 GLN 55 HG2 GLN 55 3.926 -5.745 -18.838 459 HG3 GLN 55 HG3 GLN 55 3.731 -7.420 -19.264 460 HE21 GLN 55 HE21 GLN 55 5.629 -8.696 -19.739 461 HE22 GLN 55 HE22 GLN 55 7.146 -8.293 -18.991 462 H LEU 56 H LEU 56 1.996 -8.682 -20.354 463 HA LEU 56 HA LEU 56 3.882 -10.895 -20.642 464 HB2 LEU 56 HB2 LEU 56 1.102 -10.810 -19.402 465 HB3 LEU 56 HB3 LEU 56 2.283 -12.112 -19.198 466 HG LEU 56 HG LEU 56 2.649 -9.261 -18.307 467 HD11 LEU 56 HD11 LEU 56 2.084 -9.909 -16.058 468 HD12 LEU 56 HD12 LEU 56 1.934 -11.612 -16.542 469 HD13 LEU 56 HD13 LEU 56 0.762 -10.404 -17.126 470 HD21 LEU 56 HD21 LEU 56 4.448 -10.085 -16.847 471 HD22 LEU 56 HD22 LEU 56 4.799 -10.415 -18.552 472 HD23 LEU 56 HD23 LEU 56 4.228 -11.722 -17.503 473 H GLU 57 H GLU 57 0.535 -9.981 -21.541 474 HA GLU 57 HA GLU 57 -0.103 -12.356 -22.990 475 HB2 GLU 57 HB2 GLU 57 -1.625 -10.524 -22.040 476 HB3 GLU 57 HB3 GLU 57 -1.197 -9.554 -23.452 477 HG2 GLU 57 HG2 GLU 57 -2.134 -11.389 -24.909 478 HG3 GLU 57 HG3 GLU 57 -2.586 -12.281 -23.447 479 H SER 58 H SER 58 1.741 -9.539 -23.793 480 HA SER 58 HA SER 58 1.714 -9.744 -26.654 481 HB2 SER 58 HB2 SER 58 2.272 -7.740 -25.111 482 HB3 SER 58 HB3 SER 58 3.854 -8.511 -24.890 483 HG SER 58 HG SER 58 3.755 -8.446 -27.372 484 H GLU 59 H GLU 59 3.591 -11.444 -24.164 485 HA GLU 59 HA GLU 59 5.733 -12.112 -26.068 486 HB2 GLU 59 HB2 GLU 59 6.326 -11.630 -23.789 487 HB3 GLU 59 HB3 GLU 59 5.381 -13.029 -23.208 488 HG2 GLU 59 HG2 GLU 59 6.832 -14.576 -24.395 489 HG3 GLU 59 HG3 GLU 59 7.574 -13.271 -25.319 490 H GLU 60 H GLU 60 4.709 -13.090 -27.551 491 HA GLU 60 HA GLU 60 2.864 -15.229 -27.542 492 HB2 GLU 60 HB2 GLU 60 4.706 -13.989 -29.611 493 HB3 GLU 60 HB3 GLU 60 3.556 -15.269 -30.038 494 HG2 GLU 60 HG2 GLU 60 1.664 -13.985 -29.389 495 HG3 GLU 60 HG3 GLU 60 2.623 -12.779 -28.555 496 H GLU 61 H GLU 61 5.713 -15.702 -26.238 497 HA GLU 61 HA GLU 61 6.810 -18.020 -27.580 498 HB2 GLU 61 HB2 GLU 61 8.026 -16.415 -26.031 499 HB3 GLU 61 HB3 GLU 61 7.070 -17.052 -24.700 500 HG2 GLU 61 HG2 GLU 61 8.133 -19.377 -25.343 501 HG3 GLU 61 HG3 GLU 61 9.274 -18.415 -26.271 502 H SER 62 H SER 62 4.230 -17.500 -25.280 503 HA SER 62 HA SER 62 4.064 -19.922 -23.891 504 HB2 SER 62 HB2 SER 62 1.469 -18.691 -24.638 505 HB3 SER 62 HB3 SER 62 2.107 -19.089 -23.055 506 HG SER 62 HG SER 62 1.894 -16.699 -23.905 Start of MODEL 10 1 H1 MET 1 H MET 1 0.785 -0.351 0.543 2 HA MET 1 HA MET 1 2.184 0.854 -1.772 3 HB2 MET 1 HB2 MET 1 3.357 -0.709 0.574 4 HB3 MET 1 HB3 MET 1 4.261 -0.098 -0.816 5 HG2 MET 1 HG2 MET 1 3.773 2.199 -0.179 6 HG3 MET 1 HG3 MET 1 2.719 1.652 1.133 7 HE1 MET 1 HE1 MET 1 3.729 3.060 2.968 8 HE2 MET 1 HE2 MET 1 5.474 3.197 3.286 9 HE3 MET 1 HE3 MET 1 4.793 3.837 1.770 10 H LYS 2 H LYS 2 1.529 -0.393 -3.540 11 HA LYS 2 HA LYS 2 2.225 -3.198 -3.587 12 HB2 LYS 2 HB2 LYS 2 0.029 -4.060 -4.168 13 HB3 LYS 2 HB3 LYS 2 0.028 -3.389 -2.550 14 HG2 LYS 2 HG2 LYS 2 -0.841 -1.206 -3.935 15 HG3 LYS 2 HG3 LYS 2 -1.417 -2.475 -5.014 16 HD2 LYS 2 HD2 LYS 2 -2.004 -2.287 -2.016 17 HD3 LYS 2 HD3 LYS 2 -3.066 -1.714 -3.298 18 HE2 LYS 2 HE2 LYS 2 -3.224 -4.022 -4.214 19 HE3 LYS 2 HE3 LYS 2 -2.178 -4.604 -2.916 20 HZ1 LYS 2 HZ1 LYS 2 -4.784 -3.286 -2.442 21 HZ2 LYS 2 HZ2 LYS 2 -3.836 -4.043 -1.317 22 HZ3 LYS 2 HZ3 LYS 2 -4.621 -4.882 -2.509 23 H ASN 3 H ASN 3 1.602 -4.032 -5.848 24 HA ASN 3 HA ASN 3 1.839 -1.961 -7.937 25 HB2 ASN 3 HB2 ASN 3 3.736 -3.266 -8.912 26 HB3 ASN 3 HB3 ASN 3 4.107 -2.618 -7.318 27 HD21 ASN 3 HD21 ASN 3 4.104 -5.649 -9.068 28 HD22 ASN 3 HD22 ASN 3 3.884 -6.635 -7.635 29 H ALA 4 H ALA 4 1.649 -2.962 -10.087 30 HA ALA 4 HA ALA 4 -0.693 -4.238 -10.594 31 HB1 ALA 4 HB1 ALA 4 0.628 -3.272 -12.416 32 HB2 ALA 4 HB2 ALA 4 1.902 -4.485 -12.205 33 HB3 ALA 4 HB3 ALA 4 0.303 -4.954 -12.793 34 H ALA 5 H ALA 5 2.398 -6.063 -10.491 35 HA ALA 5 HA ALA 5 1.178 -8.605 -10.828 36 HB1 ALA 5 HB1 ALA 5 3.643 -8.116 -11.107 37 HB2 ALA 5 HB2 ALA 5 3.775 -8.108 -9.334 38 HB3 ALA 5 HB3 ALA 5 3.252 -9.577 -10.166 39 H LYS 6 H LYS 6 1.675 -6.679 -7.878 40 HA LYS 6 HA LYS 6 1.326 -8.780 -5.966 41 HB2 LYS 6 HB2 LYS 6 1.776 -5.996 -6.019 42 HB3 LYS 6 HB3 LYS 6 0.241 -6.124 -5.202 43 HG2 LYS 6 HG2 LYS 6 2.600 -7.824 -4.332 44 HG3 LYS 6 HG3 LYS 6 2.553 -6.119 -3.934 45 HD2 LYS 6 HD2 LYS 6 1.727 -7.329 -2.057 46 HD3 LYS 6 HD3 LYS 6 0.409 -6.386 -2.766 47 HE2 LYS 6 HE2 LYS 6 -0.466 -8.408 -3.867 48 HE3 LYS 6 HE3 LYS 6 0.878 -9.371 -3.208 49 HZ1 LYS 6 HZ1 LYS 6 -1.295 -9.431 -1.924 50 HZ2 LYS 6 HZ2 LYS 6 -1.046 -7.893 -1.519 51 HZ3 LYS 6 HZ3 LYS 6 0.019 -9.019 -1.019 52 H ILE 7 H ILE 7 -0.909 -6.463 -7.492 53 HA ILE 7 HA ILE 7 -3.293 -7.463 -6.352 54 HB ILE 7 HB ILE 7 -2.902 -6.017 -8.966 55 HG12 ILE 7 HG12 ILE 7 -3.749 -4.340 -6.688 56 HG13 ILE 7 HG13 ILE 7 -2.128 -4.998 -6.435 57 HG21 ILE 7 HG21 ILE 7 -5.161 -6.700 -8.877 58 HG22 ILE 7 HG22 ILE 7 -5.320 -6.208 -7.166 59 HG23 ILE 7 HG23 ILE 7 -5.134 -4.986 -8.426 60 HD11 ILE 7 HD11 ILE 7 -3.180 -3.387 -8.755 61 HD12 ILE 7 HD12 ILE 7 -1.918 -2.922 -7.580 62 HD13 ILE 7 HD13 ILE 7 -1.607 -4.191 -8.775 63 H VAL 8 H VAL 8 -1.710 -8.274 -9.496 64 HA VAL 8 HA VAL 8 -3.709 -10.027 -10.472 65 HB VAL 8 HB VAL 8 -0.701 -10.061 -10.798 66 HG11 VAL 8 HG11 VAL 8 -2.821 -11.571 -12.396 67 HG12 VAL 8 HG12 VAL 8 -1.132 -11.364 -12.911 68 HG13 VAL 8 HG13 VAL 8 -1.500 -12.277 -11.447 69 HG21 VAL 8 HG21 VAL 8 -2.826 -9.101 -12.773 70 HG22 VAL 8 HG22 VAL 8 -1.976 -8.011 -11.678 71 HG23 VAL 8 HG23 VAL 8 -1.077 -8.905 -12.905 72 H ASN 9 H ASN 9 -0.880 -10.868 -8.468 73 HA ASN 9 HA ASN 9 -1.420 -13.612 -8.296 74 HB2 ASN 9 HB2 ASN 9 0.439 -13.572 -7.131 75 HB3 ASN 9 HB3 ASN 9 0.432 -11.810 -7.207 76 HD21 ASN 9 HD21 ASN 9 -0.333 -10.615 -5.356 77 HD22 ASN 9 HD22 ASN 9 -0.006 -11.386 -3.799 78 H GLU 10 H GLU 10 -2.894 -10.988 -6.430 79 HA GLU 10 HA GLU 10 -4.151 -12.888 -4.601 80 HB2 GLU 10 HB2 GLU 10 -4.703 -11.170 -3.359 81 HB3 GLU 10 HB3 GLU 10 -3.506 -10.311 -4.341 82 HG2 GLU 10 HG2 GLU 10 -5.475 -9.593 -5.793 83 HG3 GLU 10 HG3 GLU 10 -6.524 -10.250 -4.530 84 H ALA 11 H ALA 11 -5.036 -11.246 -7.577 85 HA ALA 11 HA ALA 11 -7.820 -11.921 -7.568 86 HB1 ALA 11 HB1 ALA 11 -7.696 -11.781 -10.063 87 HB2 ALA 11 HB2 ALA 11 -7.005 -10.371 -9.266 88 HB3 ALA 11 HB3 ALA 11 -5.945 -11.612 -9.965 89 H LEU 12 H LEU 12 -4.987 -13.677 -8.925 90 HA LEU 12 HA LEU 12 -6.405 -15.974 -9.770 91 HB2 LEU 12 HB2 LEU 12 -3.634 -16.043 -8.589 92 HB3 LEU 12 HB3 LEU 12 -4.316 -17.170 -9.746 93 HG LEU 12 HG LEU 12 -3.432 -14.304 -10.273 94 HD11 LEU 12 HD11 LEU 12 -1.637 -15.977 -10.047 95 HD12 LEU 12 HD12 LEU 12 -1.758 -15.353 -11.702 96 HD13 LEU 12 HD13 LEU 12 -2.394 -16.964 -11.314 97 HD21 LEU 12 HD21 LEU 12 -5.316 -14.604 -11.691 98 HD22 LEU 12 HD22 LEU 12 -4.753 -16.219 -12.216 99 HD23 LEU 12 HD23 LEU 12 -3.867 -14.748 -12.676 100 H ASN 13 H ASN 13 -5.033 -15.212 -6.632 101 HA ASN 13 HA ASN 13 -5.607 -17.706 -5.366 102 HB2 ASN 13 HB2 ASN 13 -5.135 -14.919 -4.235 103 HB3 ASN 13 HB3 ASN 13 -5.529 -16.295 -3.205 104 HD21 ASN 13 HD21 ASN 13 -2.887 -14.677 -3.553 105 HD22 ASN 13 HD22 ASN 13 -1.731 -15.935 -3.993 106 H GLN 14 H GLN 14 -7.740 -14.983 -6.034 107 HA GLN 14 HA GLN 14 -9.852 -16.197 -4.330 108 HB2 GLN 14 HB2 GLN 14 -9.437 -13.462 -5.497 109 HB3 GLN 14 HB3 GLN 14 -11.078 -14.040 -5.213 110 HG2 GLN 14 HG2 GLN 14 -10.484 -12.902 -3.239 111 HG3 GLN 14 HG3 GLN 14 -10.457 -14.610 -2.842 112 HE21 GLN 14 HE21 GLN 14 -8.418 -11.796 -3.623 113 HE22 GLN 14 HE22 GLN 14 -7.007 -12.378 -2.766 114 H GLY 15 H GLY 15 -8.643 -16.909 -7.249 115 HA2 GLY 15 HA2 GLY 15 -9.501 -18.256 -8.896 116 HA3 GLY 15 HA3 GLY 15 -11.107 -18.149 -8.147 117 H ILE 16 H ILE 16 -8.866 -15.592 -9.355 118 HA ILE 16 HA ILE 16 -10.804 -14.919 -11.486 119 HB ILE 16 HB ILE 16 -9.532 -13.069 -9.423 120 HG12 ILE 16 HG12 ILE 16 -12.498 -13.030 -9.861 121 HG13 ILE 16 HG13 ILE 16 -11.871 -14.433 -9.032 122 HG21 ILE 16 HG21 ILE 16 -9.502 -11.833 -11.507 123 HG22 ILE 16 HG22 ILE 16 -11.233 -12.173 -11.756 124 HG23 ILE 16 HG23 ILE 16 -10.686 -11.176 -10.396 125 HD11 ILE 16 HD11 ILE 16 -11.739 -11.593 -8.146 126 HD12 ILE 16 HD12 ILE 16 -12.411 -13.001 -7.315 127 HD13 ILE 16 HD13 ILE 16 -10.654 -12.839 -7.452 128 H THR 17 H THR 17 -9.748 -13.616 -13.219 129 HA THR 17 HA THR 17 -6.813 -14.071 -13.501 130 HB THR 17 HB THR 17 -9.092 -14.483 -15.489 131 HG1 THR 17 HG1 THR 17 -8.365 -16.290 -14.043 132 HG21 THR 17 HG21 THR 17 -7.327 -15.067 -17.152 133 HG22 THR 17 HG22 THR 17 -6.088 -14.503 -16.006 134 HG23 THR 17 HG23 THR 17 -7.282 -13.371 -16.696 135 H LEU 18 H LEU 18 -5.831 -12.035 -13.927 136 HA LEU 18 HA LEU 18 -7.656 -9.799 -14.678 137 HB2 LEU 18 HB2 LEU 18 -4.938 -9.912 -13.338 138 HB3 LEU 18 HB3 LEU 18 -5.530 -8.455 -14.201 139 HG LEU 18 HG LEU 18 -6.987 -9.783 -11.906 140 HD11 LEU 18 HD11 LEU 18 -4.659 -8.575 -11.486 141 HD12 LEU 18 HD12 LEU 18 -6.038 -8.321 -10.414 142 HD13 LEU 18 HD13 LEU 18 -5.595 -7.110 -11.645 143 HD21 LEU 18 HD21 LEU 18 -7.730 -7.715 -13.811 144 HD22 LEU 18 HD22 LEU 18 -7.683 -7.021 -12.207 145 HD23 LEU 18 HD23 LEU 18 -8.691 -8.455 -12.519 146 H PHE 19 H PHE 19 -7.672 -9.355 -16.814 147 HA PHE 19 HA PHE 19 -5.246 -9.745 -18.418 148 HB2 PHE 19 HB2 PHE 19 -6.212 -10.977 -20.065 149 HB3 PHE 19 HB3 PHE 19 -6.834 -11.824 -18.618 150 HD1 PHE 19 HD1 PHE 19 -7.663 -9.790 -21.593 151 HD2 PHE 19 HD2 PHE 19 -9.286 -11.609 -18.026 152 HE1 PHE 19 HE1 PHE 19 -9.935 -9.428 -22.440 153 HE2 PHE 19 HE2 PHE 19 -11.573 -11.045 -18.817 154 HZ PHE 19 HZ PHE 19 -11.910 -10.000 -21.042 155 H VAL 20 H VAL 20 -5.236 -8.064 -20.025 156 HA VAL 20 HA VAL 20 -7.325 -5.926 -19.666 157 HB VAL 20 HB VAL 20 -4.711 -6.174 -20.855 158 HG11 VAL 20 HG11 VAL 20 -5.874 -3.456 -20.539 159 HG12 VAL 20 HG12 VAL 20 -4.415 -3.956 -21.415 160 HG13 VAL 20 HG13 VAL 20 -5.980 -4.388 -22.053 161 HG21 VAL 20 HG21 VAL 20 -4.966 -4.506 -18.444 162 HG22 VAL 20 HG22 VAL 20 -4.594 -6.238 -18.381 163 HG23 VAL 20 HG23 VAL 20 -3.536 -5.167 -19.266 164 H SER 21 H SER 21 -8.520 -5.241 -21.346 165 HA SER 21 HA SER 21 -8.390 -6.719 -23.921 166 HB2 SER 21 HB2 SER 21 -10.343 -7.387 -22.398 167 HB3 SER 21 HB3 SER 21 -10.855 -5.705 -22.456 168 HG SER 21 HG SER 21 -11.185 -5.866 -24.678 169 H ASP 22 H ASP 22 -8.140 -5.274 -25.512 170 HA ASP 22 HA ASP 22 -7.799 -3.289 -26.575 171 HB2 ASP 22 HB2 ASP 22 -10.438 -2.320 -25.491 172 HB3 ASP 22 HB3 ASP 22 -9.854 -2.371 -27.145 173 H ASN 23 H ASN 23 -6.309 -3.152 -24.383 174 HA ASN 23 HA ASN 23 -5.098 -1.662 -23.150 175 HB2 ASN 23 HB2 ASN 23 -5.730 -0.254 -25.385 176 HB3 ASN 23 HB3 ASN 23 -6.568 0.749 -24.240 177 HD21 ASN 23 HD21 ASN 23 -3.502 -0.945 -24.692 178 HD22 ASN 23 HD22 ASN 23 -2.440 0.178 -23.873 179 H LYS 24 H LYS 24 -7.660 -2.690 -22.100 180 HA LYS 24 HA LYS 24 -7.928 -0.689 -19.962 181 HB2 LYS 24 HB2 LYS 24 -9.723 -0.201 -21.495 182 HB3 LYS 24 HB3 LYS 24 -10.163 -1.890 -21.621 183 HG2 LYS 24 HG2 LYS 24 -11.710 -0.675 -20.113 184 HG3 LYS 24 HG3 LYS 24 -10.913 -2.028 -19.326 185 HD2 LYS 24 HD2 LYS 24 -9.308 -0.384 -18.246 186 HD3 LYS 24 HD3 LYS 24 -10.191 0.912 -19.037 187 HE2 LYS 24 HE2 LYS 24 -10.868 0.738 -16.739 188 HE3 LYS 24 HE3 LYS 24 -12.233 0.290 -17.749 189 HZ1 LYS 24 HZ1 LYS 24 -11.570 -1.091 -15.688 190 HZ2 LYS 24 HZ2 LYS 24 -10.495 -1.842 -16.660 191 HZ3 LYS 24 HZ3 LYS 24 -12.078 -1.916 -17.012 192 H LEU 25 H LEU 25 -7.488 -1.721 -18.166 193 HA LEU 25 HA LEU 25 -6.917 -4.460 -17.824 194 HB2 LEU 25 HB2 LEU 25 -6.207 -2.827 -16.179 195 HB3 LEU 25 HB3 LEU 25 -7.871 -2.309 -15.900 196 HG LEU 25 HG LEU 25 -8.376 -4.619 -14.955 197 HD11 LEU 25 HD11 LEU 25 -6.748 -6.047 -15.972 198 HD12 LEU 25 HD12 LEU 25 -6.261 -5.917 -14.280 199 HD13 LEU 25 HD13 LEU 25 -5.415 -4.969 -15.521 200 HD21 LEU 25 HD21 LEU 25 -7.255 -4.200 -12.888 201 HD22 LEU 25 HD22 LEU 25 -7.856 -2.686 -13.586 202 HD23 LEU 25 HD23 LEU 25 -6.134 -3.060 -13.682 203 H LYS 26 H LYS 26 -8.171 -6.127 -18.073 204 HA LYS 26 HA LYS 26 -11.051 -5.808 -17.165 205 HB2 LYS 26 HB2 LYS 26 -9.958 -6.920 -19.671 206 HB3 LYS 26 HB3 LYS 26 -10.899 -8.109 -18.786 207 HG2 LYS 26 HG2 LYS 26 -12.383 -6.953 -20.245 208 HG3 LYS 26 HG3 LYS 26 -12.768 -6.472 -18.587 209 HD2 LYS 26 HD2 LYS 26 -11.505 -4.353 -18.909 210 HD3 LYS 26 HD3 LYS 26 -11.017 -4.878 -20.513 211 HE2 LYS 26 HE2 LYS 26 -12.839 -3.289 -20.660 212 HE3 LYS 26 HE3 LYS 26 -13.343 -4.861 -21.281 213 HZ1 LYS 26 HZ1 LYS 26 -14.944 -3.720 -19.837 214 HZ2 LYS 26 HZ2 LYS 26 -13.919 -3.937 -18.542 215 HZ3 LYS 26 HZ3 LYS 26 -14.578 -5.240 -19.331 216 H TYR 27 H TYR 27 -11.949 -8.123 -16.518 217 HA TYR 27 HA TYR 27 -9.924 -9.679 -15.097 218 HB2 TYR 27 HB2 TYR 27 -10.832 -9.476 -12.935 219 HB3 TYR 27 HB3 TYR 27 -10.883 -7.854 -13.545 220 HD1 TYR 27 HD1 TYR 27 -13.032 -6.785 -14.128 221 HD2 TYR 27 HD2 TYR 27 -12.868 -10.766 -12.495 222 HE1 TYR 27 HE1 TYR 27 -15.358 -6.586 -13.464 223 HE2 TYR 27 HE2 TYR 27 -15.239 -10.578 -11.802 224 HH TYR 27 HH TYR 27 -17.083 -7.536 -12.273 225 H LYS 28 H LYS 28 -10.768 -11.847 -14.686 226 HA LYS 28 HA LYS 28 -13.308 -12.609 -16.023 227 HB2 LYS 28 HB2 LYS 28 -10.569 -13.070 -16.991 228 HB3 LYS 28 HB3 LYS 28 -11.277 -14.601 -16.552 229 HG2 LYS 28 HG2 LYS 28 -12.911 -12.655 -18.199 230 HG3 LYS 28 HG3 LYS 28 -11.590 -13.542 -18.964 231 HD2 LYS 28 HD2 LYS 28 -13.808 -14.924 -17.389 232 HD3 LYS 28 HD3 LYS 28 -13.898 -14.587 -19.126 233 HE2 LYS 28 HE2 LYS 28 -11.670 -15.749 -19.393 234 HE3 LYS 28 HE3 LYS 28 -11.775 -16.271 -17.716 235 HZ1 LYS 28 HZ1 LYS 28 -13.731 -17.494 -18.215 236 HZ2 LYS 28 HZ2 LYS 28 -12.652 -17.899 -19.393 237 HZ3 LYS 28 HZ3 LYS 28 -13.844 -16.861 -19.741 238 H THR 29 H THR 29 -14.226 -14.506 -15.049 239 HA THR 29 HA THR 29 -12.847 -16.159 -13.209 240 HB THR 29 HB THR 29 -12.793 -14.186 -11.773 241 HG1 THR 29 HG1 THR 29 -13.129 -15.855 -10.564 242 HG21 THR 29 HG21 THR 29 -14.984 -13.135 -11.018 243 HG22 THR 29 HG22 THR 29 -15.713 -13.864 -12.458 244 HG23 THR 29 HG23 THR 29 -14.396 -12.703 -12.629 245 H ASN 30 H ASN 30 -14.524 -17.516 -12.021 246 HA ASN 30 HA ASN 30 -16.834 -18.076 -13.808 247 HB2 ASN 30 HB2 ASN 30 -15.484 -19.802 -11.693 248 HB3 ASN 30 HB3 ASN 30 -16.872 -20.278 -12.677 249 HD21 ASN 30 HD21 ASN 30 -14.706 -21.872 -12.723 250 HD22 ASN 30 HD22 ASN 30 -13.872 -21.770 -14.264 251 H ARG 31 H ARG 31 -16.445 -16.175 -11.096 252 HA ARG 31 HA ARG 31 -19.182 -16.715 -10.161 253 HB2 ARG 31 HB2 ARG 31 -18.599 -16.439 -7.901 254 HB3 ARG 31 HB3 ARG 31 -17.549 -17.689 -8.553 255 HG2 ARG 31 HG2 ARG 31 -16.452 -14.870 -8.450 256 HG3 ARG 31 HG3 ARG 31 -16.695 -15.692 -6.922 257 HD2 ARG 31 HD2 ARG 31 -15.137 -16.878 -9.218 258 HD3 ARG 31 HD3 ARG 31 -14.405 -15.937 -7.891 259 HE ARG 31 HE ARG 31 -15.841 -17.809 -6.561 260 HH11 ARG 31 HH11 ARG 31 -13.288 -18.131 -9.012 261 HH12 ARG 31 HH12 ARG 31 -12.988 -19.800 -8.648 262 HH21 ARG 31 HH21 ARG 31 -15.338 -19.930 -5.985 263 HH22 ARG 31 HH22 ARG 31 -14.222 -20.856 -6.917 264 H ASP 32 H ASP 32 -20.070 -14.737 -9.134 265 HA ASP 32 HA ASP 32 -18.902 -12.252 -10.356 266 HB2 ASP 32 HB2 ASP 32 -21.796 -13.034 -9.833 267 HB3 ASP 32 HB3 ASP 32 -21.263 -11.442 -10.388 268 H SER 33 H SER 33 -19.795 -13.892 -7.490 269 HA SER 33 HA SER 33 -20.076 -11.456 -5.897 270 HB2 SER 33 HB2 SER 33 -21.361 -13.658 -5.594 271 HB3 SER 33 HB3 SER 33 -19.860 -14.276 -4.841 272 HG SER 33 HG SER 33 -21.353 -13.293 -3.317 273 H ILE 34 H ILE 34 -17.852 -11.110 -7.093 274 HA ILE 34 HA ILE 34 -15.502 -12.185 -5.663 275 HB ILE 34 HB ILE 34 -14.201 -10.713 -7.170 276 HG12 ILE 34 HG12 ILE 34 -15.481 -9.738 -9.190 277 HG13 ILE 34 HG13 ILE 34 -16.892 -9.682 -8.145 278 HG21 ILE 34 HG21 ILE 34 -16.272 -12.310 -8.712 279 HG22 ILE 34 HG22 ILE 34 -14.603 -11.919 -9.174 280 HG23 ILE 34 HG23 ILE 34 -14.898 -13.006 -7.816 281 HD11 ILE 34 HD11 ILE 34 -15.685 -8.139 -6.624 282 HD12 ILE 34 HD12 ILE 34 -14.196 -8.343 -7.569 283 HD13 ILE 34 HD13 ILE 34 -15.620 -7.552 -8.284 284 HA PRO 35 HA PRO 35 -15.555 -9.051 -2.550 285 HB2 PRO 35 HB2 PRO 35 -12.984 -8.422 -2.066 286 HB3 PRO 35 HB3 PRO 35 -13.659 -10.033 -1.673 287 HG2 PRO 35 HG2 PRO 35 -12.080 -9.232 -4.113 288 HG3 PRO 35 HG3 PRO 35 -11.800 -10.647 -3.041 289 HD2 PRO 35 HD2 PRO 35 -13.184 -10.854 -5.364 290 HD3 PRO 35 HD3 PRO 35 -13.676 -11.771 -3.919 291 H SER 36 H SER 36 -16.134 -6.889 -2.689 292 HA SER 36 HA SER 36 -15.894 -5.404 -5.012 293 HB2 SER 36 HB2 SER 36 -16.167 -4.166 -2.264 294 HB3 SER 36 HB3 SER 36 -16.939 -3.689 -3.772 295 HG SER 36 HG SER 36 -18.441 -4.696 -2.571 296 H GLU 37 H GLU 37 -13.546 -5.834 -2.465 297 HA GLU 37 HA GLU 37 -12.074 -3.411 -2.706 298 HB2 GLU 37 HB2 GLU 37 -10.400 -4.471 -1.444 299 HB3 GLU 37 HB3 GLU 37 -11.923 -5.202 -0.887 300 HG2 GLU 37 HG2 GLU 37 -11.333 -7.141 -2.486 301 HG3 GLU 37 HG3 GLU 37 -9.751 -6.384 -2.659 302 H LEU 38 H LEU 38 -12.095 -6.355 -4.654 303 HA LEU 38 HA LEU 38 -9.605 -5.836 -6.036 304 HB2 LEU 38 HB2 LEU 38 -11.870 -7.770 -6.239 305 HB3 LEU 38 HB3 LEU 38 -11.104 -7.392 -7.771 306 HG LEU 38 HG LEU 38 -8.988 -8.124 -7.067 307 HD11 LEU 38 HD11 LEU 38 -8.391 -9.057 -4.884 308 HD12 LEU 38 HD12 LEU 38 -9.986 -8.613 -4.223 309 HD13 LEU 38 HD13 LEU 38 -8.827 -7.362 -4.687 310 HD21 LEU 38 HD21 LEU 38 -9.400 -10.476 -6.568 311 HD22 LEU 38 HD22 LEU 38 -10.643 -9.837 -7.658 312 HD23 LEU 38 HD23 LEU 38 -11.021 -10.081 -5.946 313 H LEU 39 H LEU 39 -13.026 -5.044 -6.766 314 HA LEU 39 HA LEU 39 -12.470 -3.870 -9.318 315 HB2 LEU 39 HB2 LEU 39 -14.644 -3.348 -7.275 316 HB3 LEU 39 HB3 LEU 39 -14.638 -2.556 -8.842 317 HG LEU 39 HG LEU 39 -14.582 -5.583 -8.576 318 HD11 LEU 39 HD11 LEU 39 -17.015 -3.741 -8.745 319 HD12 LEU 39 HD12 LEU 39 -16.557 -4.788 -7.378 320 HD13 LEU 39 HD13 LEU 39 -17.049 -5.509 -8.913 321 HD21 LEU 39 HD21 LEU 39 -15.524 -5.521 -10.851 322 HD22 LEU 39 HD22 LEU 39 -13.979 -4.672 -10.801 323 HD23 LEU 39 HD23 LEU 39 -15.498 -3.745 -10.842 324 H GLU 40 H GLU 40 -12.237 -2.620 -6.042 325 HA GLU 40 HA GLU 40 -11.888 0.161 -6.787 326 HB2 GLU 40 HB2 GLU 40 -11.285 -1.355 -4.222 327 HB3 GLU 40 HB3 GLU 40 -11.178 0.395 -4.389 328 HG2 GLU 40 HG2 GLU 40 -13.748 -1.120 -4.988 329 HG3 GLU 40 HG3 GLU 40 -13.316 -0.647 -3.370 330 H GLU 41 H GLU 41 -9.597 -2.401 -5.573 331 HA GLU 41 HA GLU 41 -7.332 -0.826 -5.928 332 HB2 GLU 41 HB2 GLU 41 -7.717 -3.167 -4.722 333 HB3 GLU 41 HB3 GLU 41 -7.196 -3.834 -6.282 334 HG2 GLU 41 HG2 GLU 41 -5.276 -3.617 -4.839 335 HG3 GLU 41 HG3 GLU 41 -5.121 -2.418 -6.123 336 H TRP 42 H TRP 42 -8.959 -3.002 -8.218 337 HA TRP 42 HA TRP 42 -6.980 -2.952 -10.221 338 HB2 TRP 42 HB2 TRP 42 -10.003 -3.110 -10.346 339 HB3 TRP 42 HB3 TRP 42 -8.993 -3.334 -11.762 340 HD1 TRP 42 HD1 TRP 42 -6.855 -5.017 -9.648 341 HE1 TRP 42 HE1 TRP 42 -7.376 -7.467 -9.133 342 HE3 TRP 42 HE3 TRP 42 -11.731 -5.140 -11.161 343 HZ2 TRP 42 HZ2 TRP 42 -9.521 -9.296 -9.556 344 HZ3 TRP 42 HZ3 TRP 42 -13.043 -7.246 -10.945 345 HH2 TRP 42 HH2 TRP 42 -11.934 -9.328 -10.197 346 H LYS 43 H LYS 43 -9.579 -0.611 -9.506 347 HA LYS 43 HA LYS 43 -9.056 0.990 -11.910 348 HB2 LYS 43 HB2 LYS 43 -11.252 1.074 -10.788 349 HB3 LYS 43 HB3 LYS 43 -10.486 1.597 -9.288 350 HG2 LYS 43 HG2 LYS 43 -9.700 3.686 -10.510 351 HG3 LYS 43 HG3 LYS 43 -10.717 3.194 -11.879 352 HD2 LYS 43 HD2 LYS 43 -12.705 3.291 -10.462 353 HD3 LYS 43 HD3 LYS 43 -11.718 3.539 -9.021 354 HE2 LYS 43 HE2 LYS 43 -12.047 5.510 -11.319 355 HE3 LYS 43 HE3 LYS 43 -12.787 5.620 -9.713 356 HZ1 LYS 43 HZ1 LYS 43 -10.846 7.005 -9.853 357 HZ2 LYS 43 HZ2 LYS 43 -9.892 5.773 -10.303 358 HZ3 LYS 43 HZ3 LYS 43 -10.557 5.799 -8.774 359 H GLN 44 H GLN 44 -8.118 1.059 -8.505 360 HA GLN 44 HA GLN 44 -6.717 3.532 -8.485 361 HB2 GLN 44 HB2 GLN 44 -6.442 1.032 -6.774 362 HB3 GLN 44 HB3 GLN 44 -5.620 2.545 -6.395 363 HG2 GLN 44 HG2 GLN 44 -7.590 3.785 -6.057 364 HG3 GLN 44 HG3 GLN 44 -8.616 2.629 -6.868 365 HE21 GLN 44 HE21 GLN 44 -6.563 0.942 -4.506 366 HE22 GLN 44 HE22 GLN 44 -7.774 0.925 -3.281 367 H HIS 45 H HIS 45 -5.710 0.284 -9.390 368 HA HIS 45 HA HIS 45 -3.077 1.373 -10.163 369 HB2 HIS 45 HB2 HIS 45 -3.998 -1.383 -9.338 370 HB3 HIS 45 HB3 HIS 45 -2.426 -1.082 -10.010 371 HD1 HIS 45 HD1 HIS 45 -0.530 -0.020 -8.503 372 HD2 HIS 45 HD2 HIS 45 -4.381 -0.292 -6.781 373 HE1 HIS 45 HE1 HIS 45 -0.222 0.312 -6.053 374 H LYS 46 H LYS 46 -5.823 1.040 -11.789 375 HA LYS 46 HA LYS 46 -5.512 -0.856 -13.766 376 HB2 LYS 46 HB2 LYS 46 -6.923 0.498 -15.245 377 HB3 LYS 46 HB3 LYS 46 -7.572 0.371 -13.635 378 HG2 LYS 46 HG2 LYS 46 -7.946 2.574 -13.859 379 HG3 LYS 46 HG3 LYS 46 -6.291 2.703 -13.315 380 HD2 LYS 46 HD2 LYS 46 -5.630 2.722 -15.837 381 HD3 LYS 46 HD3 LYS 46 -7.351 2.959 -16.143 382 HE2 LYS 46 HE2 LYS 46 -7.359 4.987 -14.767 383 HE3 LYS 46 HE3 LYS 46 -5.690 4.698 -14.255 384 HZ1 LYS 46 HZ1 LYS 46 -5.852 6.364 -15.993 385 HZ2 LYS 46 HZ2 LYS 46 -6.506 5.289 -17.040 386 HZ3 LYS 46 HZ3 LYS 46 -4.970 5.092 -16.540 387 H GLN 47 H GLN 47 -4.005 2.325 -13.633 388 HA GLN 47 HA GLN 47 -3.046 2.310 -16.224 389 HB2 GLN 47 HB2 GLN 47 -3.271 4.212 -14.555 390 HB3 GLN 47 HB3 GLN 47 -1.828 3.615 -13.755 391 HG2 GLN 47 HG2 GLN 47 -1.437 5.538 -15.364 392 HG3 GLN 47 HG3 GLN 47 -0.521 4.100 -15.831 393 HE21 GLN 47 HE21 GLN 47 -1.025 3.020 -17.731 394 HE22 GLN 47 HE22 GLN 47 -2.298 3.462 -18.824 395 H GLU 48 H GLU 48 -1.373 1.121 -13.240 396 HA GLU 48 HA GLU 48 0.915 0.260 -14.892 397 HB2 GLU 48 HB2 GLU 48 1.869 -0.568 -12.852 398 HB3 GLU 48 HB3 GLU 48 1.317 1.098 -12.652 399 HG2 GLU 48 HG2 GLU 48 -0.726 0.246 -11.495 400 HG3 GLU 48 HG3 GLU 48 -0.126 -1.399 -11.633 401 H LEU 49 H LEU 49 -1.981 -1.196 -13.413 402 HA LEU 49 HA LEU 49 -1.310 -3.916 -13.783 403 HB2 LEU 49 HB2 LEU 49 -3.877 -2.347 -13.611 404 HB3 LEU 49 HB3 LEU 49 -3.996 -4.002 -14.124 405 HG LEU 49 HG LEU 49 -2.531 -3.289 -11.565 406 HD11 LEU 49 HD11 LEU 49 -4.545 -3.720 -10.324 407 HD12 LEU 49 HD12 LEU 49 -5.420 -4.198 -11.756 408 HD13 LEU 49 HD13 LEU 49 -4.948 -2.490 -11.522 409 HD21 LEU 49 HD21 LEU 49 -3.835 -5.829 -12.690 410 HD22 LEU 49 HD22 LEU 49 -3.217 -5.686 -11.050 411 HD23 LEU 49 HD23 LEU 49 -2.102 -5.565 -12.422 412 H ILE 50 H ILE 50 -2.638 -1.556 -16.069 413 HA ILE 50 HA ILE 50 -3.113 -3.491 -18.146 414 HB ILE 50 HB ILE 50 -2.831 -0.454 -18.212 415 HG12 ILE 50 HG12 ILE 50 -5.182 -2.283 -18.806 416 HG13 ILE 50 HG13 ILE 50 -4.824 -1.694 -17.195 417 HG21 ILE 50 HG21 ILE 50 -3.363 -2.309 -20.558 418 HG22 ILE 50 HG22 ILE 50 -3.672 -0.560 -20.583 419 HG23 ILE 50 HG23 ILE 50 -2.034 -1.159 -20.395 420 HD11 ILE 50 HD11 ILE 50 -5.008 0.648 -18.021 421 HD12 ILE 50 HD12 ILE 50 -5.569 -0.039 -19.579 422 HD13 ILE 50 HD13 ILE 50 -6.508 -0.289 -18.101 423 H ASP 51 H ASP 51 -0.505 -1.119 -17.616 424 HA ASP 51 HA ASP 51 1.114 -1.773 -19.775 425 HB2 ASP 51 HB2 ASP 51 1.275 0.123 -18.136 426 HB3 ASP 51 HB3 ASP 51 2.036 -0.977 -16.994 427 H PHE 52 H PHE 52 1.063 -3.240 -16.528 428 HA PHE 52 HA PHE 52 3.289 -4.995 -17.022 429 HB2 PHE 52 HB2 PHE 52 2.713 -4.308 -14.790 430 HB3 PHE 52 HB3 PHE 52 1.048 -4.858 -14.990 431 HD1 PHE 52 HD1 PHE 52 4.580 -6.164 -15.108 432 HD2 PHE 52 HD2 PHE 52 0.462 -7.040 -14.207 433 HE1 PHE 52 HE1 PHE 52 5.256 -8.339 -14.096 434 HE2 PHE 52 HE2 PHE 52 1.139 -9.252 -13.293 435 HZ PHE 52 HZ PHE 52 3.545 -9.887 -13.218 436 H LEU 53 H LEU 53 -0.289 -5.377 -17.128 437 HA LEU 53 HA LEU 53 -0.065 -8.200 -17.674 438 HB2 LEU 53 HB2 LEU 53 -2.274 -6.214 -17.763 439 HB3 LEU 53 HB3 LEU 53 -2.554 -7.859 -18.349 440 HG LEU 53 HG LEU 53 -1.422 -7.309 -15.559 441 HD11 LEU 53 HD11 LEU 53 -4.334 -7.808 -16.267 442 HD12 LEU 53 HD12 LEU 53 -3.638 -6.227 -15.839 443 HD13 LEU 53 HD13 LEU 53 -3.610 -7.529 -14.652 444 HD21 LEU 53 HD21 LEU 53 -2.400 -9.614 -15.142 445 HD22 LEU 53 HD22 LEU 53 -1.065 -9.595 -16.294 446 HD23 LEU 53 HD23 LEU 53 -2.727 -9.717 -16.881 447 H THR 54 H THR 54 -0.276 -5.363 -19.758 448 HA THR 54 HA THR 54 -0.703 -6.989 -22.101 449 HB THR 54 HB THR 54 -1.548 -4.624 -21.499 450 HG1 THR 54 HG1 THR 54 -1.095 -5.648 -23.907 451 HG21 THR 54 HG21 THR 54 -0.315 -2.696 -22.062 452 HG22 THR 54 HG22 THR 54 1.044 -3.662 -22.720 453 HG23 THR 54 HG23 THR 54 0.686 -3.667 -20.995 454 H GLN 55 H GLN 55 2.150 -5.496 -20.512 455 HA GLN 55 HA GLN 55 3.808 -6.077 -22.804 456 HB2 GLN 55 HB2 GLN 55 5.604 -5.372 -21.483 457 HB3 GLN 55 HB3 GLN 55 4.233 -4.354 -21.033 458 HG2 GLN 55 HG2 GLN 55 4.917 -4.814 -18.913 459 HG3 GLN 55 HG3 GLN 55 3.970 -6.276 -19.166 460 HE21 GLN 55 HE21 GLN 55 5.109 -8.268 -18.983 461 HE22 GLN 55 HE22 GLN 55 6.855 -8.394 -18.998 462 H LEU 56 H LEU 56 2.631 -7.916 -20.035 463 HA LEU 56 HA LEU 56 4.578 -10.059 -20.334 464 HB2 LEU 56 HB2 LEU 56 3.855 -10.845 -18.426 465 HB3 LEU 56 HB3 LEU 56 3.072 -9.307 -18.270 466 HG LEU 56 HG LEU 56 0.936 -10.442 -19.165 467 HD11 LEU 56 HD11 LEU 56 2.553 -12.946 -18.470 468 HD12 LEU 56 HD12 LEU 56 1.878 -12.579 -20.051 469 HD13 LEU 56 HD13 LEU 56 0.777 -12.880 -18.736 470 HD21 LEU 56 HD21 LEU 56 0.433 -11.329 -16.925 471 HD22 LEU 56 HD22 LEU 56 1.362 -9.825 -16.797 472 HD23 LEU 56 HD23 LEU 56 2.167 -11.385 -16.542 473 H GLU 57 H GLU 57 1.250 -9.403 -21.367 474 HA GLU 57 HA GLU 57 0.483 -11.790 -22.449 475 HB2 GLU 57 HB2 GLU 57 -0.799 -9.631 -22.252 476 HB3 GLU 57 HB3 GLU 57 -0.076 -9.103 -23.764 477 HG2 GLU 57 HG2 GLU 57 -1.481 -11.775 -23.683 478 HG3 GLU 57 HG3 GLU 57 -2.470 -10.334 -23.520 479 H SER 58 H SER 58 2.719 -9.478 -23.894 480 HA SER 58 HA SER 58 3.029 -10.399 -26.464 481 HB2 SER 58 HB2 SER 58 5.076 -9.398 -24.445 482 HB3 SER 58 HB3 SER 58 5.312 -9.364 -26.199 483 HG SER 58 HG SER 58 4.562 -7.351 -25.453 484 H GLU 59 H GLU 59 4.036 -12.118 -23.555 485 HA GLU 59 HA GLU 59 5.774 -13.831 -25.246 486 HB2 GLU 59 HB2 GLU 59 6.765 -12.586 -23.168 487 HB3 GLU 59 HB3 GLU 59 5.951 -13.803 -22.232 488 HG2 GLU 59 HG2 GLU 59 8.133 -14.631 -22.616 489 HG3 GLU 59 HG3 GLU 59 7.155 -15.505 -23.801 490 H GLU 60 H GLU 60 4.880 -15.506 -25.917 491 HA GLU 60 HA GLU 60 2.532 -16.763 -24.942 492 HB2 GLU 60 HB2 GLU 60 3.030 -18.431 -26.676 493 HB3 GLU 60 HB3 GLU 60 3.050 -16.758 -27.262 494 HG2 GLU 60 HG2 GLU 60 5.487 -16.699 -27.083 495 HG3 GLU 60 HG3 GLU 60 5.494 -18.353 -26.460 496 H GLU 61 H GLU 61 5.668 -16.853 -23.805 497 HA GLU 61 HA GLU 61 5.234 -19.203 -22.102 498 HB2 GLU 61 HB2 GLU 61 7.551 -19.966 -22.550 499 HB3 GLU 61 HB3 GLU 61 6.402 -20.174 -23.863 500 HG2 GLU 61 HG2 GLU 61 7.481 -17.929 -24.794 501 HG3 GLU 61 HG3 GLU 61 8.818 -18.384 -23.734 502 H SER 62 H SER 62 4.591 -17.297 -20.976 503 HA SER 62 HA SER 62 6.479 -15.289 -20.090 504 HB2 SER 62 HB2 SER 62 3.651 -16.091 -19.291 505 HB3 SER 62 HB3 SER 62 4.560 -14.837 -18.440 506 HG SER 62 HG SER 62 3.951 -14.842 -21.256 Start of MODEL 11 1 H1 MET 1 H MET 1 1.142 0.660 -0.216 2 HA MET 1 HA MET 1 2.393 1.300 -2.823 3 HB2 MET 1 HB2 MET 1 3.703 0.441 -0.230 4 HB3 MET 1 HB3 MET 1 4.447 0.182 -1.810 5 HG2 MET 1 HG2 MET 1 5.330 2.178 -0.966 6 HG3 MET 1 HG3 MET 1 4.290 2.587 -2.324 7 HE1 MET 1 HE1 MET 1 5.580 4.104 0.576 8 HE2 MET 1 HE2 MET 1 5.217 4.838 -1.000 9 HE3 MET 1 HE3 MET 1 4.454 5.473 0.476 10 H LYS 2 H LYS 2 1.254 -0.161 -4.109 11 HA LYS 2 HA LYS 2 2.055 -2.941 -3.820 12 HB2 LYS 2 HB2 LYS 2 -0.219 -3.828 -4.081 13 HB3 LYS 2 HB3 LYS 2 0.106 -3.102 -2.507 14 HG2 LYS 2 HG2 LYS 2 -1.106 -0.999 -3.507 15 HG3 LYS 2 HG3 LYS 2 -1.689 -2.114 -4.745 16 HD2 LYS 2 HD2 LYS 2 -2.044 -2.451 -1.726 17 HD3 LYS 2 HD3 LYS 2 -3.229 -1.804 -2.850 18 HE2 LYS 2 HE2 LYS 2 -3.168 -4.033 -4.071 19 HE3 LYS 2 HE3 LYS 2 -2.141 -4.652 -2.764 20 HZ1 LYS 2 HZ1 LYS 2 -3.927 -4.313 -1.222 21 HZ2 LYS 2 HZ2 LYS 2 -4.540 -5.138 -2.492 22 HZ3 LYS 2 HZ3 LYS 2 -4.850 -3.547 -2.350 23 H ASN 3 H ASN 3 2.782 -3.458 -5.737 24 HA ASN 3 HA ASN 3 2.235 -1.785 -8.064 25 HB2 ASN 3 HB2 ASN 3 4.076 -2.819 -9.031 26 HB3 ASN 3 HB3 ASN 3 4.526 -2.900 -7.338 27 HD21 ASN 3 HD21 ASN 3 4.058 -5.037 -6.200 28 HD22 ASN 3 HD22 ASN 3 3.934 -6.502 -7.137 29 H ALA 4 H ALA 4 2.012 -3.008 -10.237 30 HA ALA 4 HA ALA 4 -0.577 -3.947 -10.489 31 HB1 ALA 4 HB1 ALA 4 0.657 -3.109 -12.391 32 HB2 ALA 4 HB2 ALA 4 1.884 -4.389 -12.246 33 HB3 ALA 4 HB3 ALA 4 0.240 -4.797 -12.733 34 H ALA 5 H ALA 5 2.408 -6.017 -10.424 35 HA ALA 5 HA ALA 5 1.041 -8.471 -10.712 36 HB1 ALA 5 HB1 ALA 5 3.046 -9.495 -9.788 37 HB2 ALA 5 HB2 ALA 5 3.516 -8.202 -10.923 38 HB3 ALA 5 HB3 ALA 5 3.613 -7.953 -9.157 39 H LYS 6 H LYS 6 1.573 -6.439 -7.869 40 HA LYS 6 HA LYS 6 1.167 -8.327 -5.812 41 HB2 LYS 6 HB2 LYS 6 1.732 -5.649 -5.988 42 HB3 LYS 6 HB3 LYS 6 0.092 -5.557 -5.425 43 HG2 LYS 6 HG2 LYS 6 2.201 -7.270 -4.013 44 HG3 LYS 6 HG3 LYS 6 2.141 -5.525 -3.827 45 HD2 LYS 6 HD2 LYS 6 0.898 -6.111 -2.028 46 HD3 LYS 6 HD3 LYS 6 -0.376 -5.859 -3.215 47 HE2 LYS 6 HE2 LYS 6 -0.300 -8.381 -3.655 48 HE3 LYS 6 HE3 LYS 6 0.787 -8.485 -2.248 49 HZ1 LYS 6 HZ1 LYS 6 -1.082 -7.142 -1.114 50 HZ2 LYS 6 HZ2 LYS 6 -1.323 -8.756 -1.337 51 HZ3 LYS 6 HZ3 LYS 6 -2.036 -7.635 -2.324 52 H ILE 7 H ILE 7 -1.155 -6.166 -7.476 53 HA ILE 7 HA ILE 7 -3.415 -7.409 -6.147 54 HB ILE 7 HB ILE 7 -3.878 -5.947 -8.736 55 HG12 ILE 7 HG12 ILE 7 -4.030 -3.875 -6.951 56 HG13 ILE 7 HG13 ILE 7 -2.615 -4.712 -6.314 57 HG21 ILE 7 HG21 ILE 7 -5.302 -5.945 -6.035 58 HG22 ILE 7 HG22 ILE 7 -5.862 -5.181 -7.535 59 HG23 ILE 7 HG23 ILE 7 -5.755 -6.939 -7.431 60 HD11 ILE 7 HD11 ILE 7 -1.683 -4.625 -8.653 61 HD12 ILE 7 HD12 ILE 7 -3.094 -3.670 -9.128 62 HD13 ILE 7 HD13 ILE 7 -1.941 -3.020 -7.925 63 H VAL 8 H VAL 8 -1.735 -8.071 -9.199 64 HA VAL 8 HA VAL 8 -3.733 -9.756 -10.387 65 HB VAL 8 HB VAL 8 -0.714 -9.826 -10.552 66 HG11 VAL 8 HG11 VAL 8 -1.450 -12.059 -11.207 67 HG12 VAL 8 HG12 VAL 8 -2.710 -11.385 -12.257 68 HG13 VAL 8 HG13 VAL 8 -0.991 -11.176 -12.659 69 HG21 VAL 8 HG21 VAL 8 -2.688 -8.955 -12.716 70 HG22 VAL 8 HG22 VAL 8 -2.034 -7.819 -11.533 71 HG23 VAL 8 HG23 VAL 8 -0.951 -8.653 -12.647 72 H ASN 9 H ASN 9 -1.015 -10.605 -8.221 73 HA ASN 9 HA ASN 9 -1.588 -13.337 -7.997 74 HB2 ASN 9 HB2 ASN 9 0.192 -13.251 -6.678 75 HB3 ASN 9 HB3 ASN 9 0.167 -11.488 -6.763 76 HD21 ASN 9 HD21 ASN 9 -0.535 -10.334 -5.022 77 HD22 ASN 9 HD22 ASN 9 -0.789 -11.073 -3.422 78 H GLU 10 H GLU 10 -3.051 -10.613 -6.239 79 HA GLU 10 HA GLU 10 -4.578 -12.239 -4.430 80 HB2 GLU 10 HB2 GLU 10 -5.021 -9.370 -5.370 81 HB3 GLU 10 HB3 GLU 10 -5.947 -10.178 -4.099 82 HG2 GLU 10 HG2 GLU 10 -3.816 -10.574 -2.837 83 HG3 GLU 10 HG3 GLU 10 -2.951 -9.641 -4.059 84 H ALA 11 H ALA 11 -5.266 -10.853 -7.660 85 HA ALA 11 HA ALA 11 -8.008 -11.581 -7.732 86 HB1 ALA 11 HB1 ALA 11 -6.058 -11.399 -10.061 87 HB2 ALA 11 HB2 ALA 11 -7.823 -11.348 -10.146 88 HB3 ALA 11 HB3 ALA 11 -6.949 -10.035 -9.334 89 H LEU 12 H LEU 12 -5.098 -13.356 -8.843 90 HA LEU 12 HA LEU 12 -6.438 -15.705 -9.662 91 HB2 LEU 12 HB2 LEU 12 -3.765 -15.699 -8.250 92 HB3 LEU 12 HB3 LEU 12 -4.361 -16.896 -9.391 93 HG LEU 12 HG LEU 12 -3.429 -14.072 -9.990 94 HD11 LEU 12 HD11 LEU 12 -1.716 -15.821 -9.546 95 HD12 LEU 12 HD12 LEU 12 -1.651 -15.123 -11.171 96 HD13 LEU 12 HD13 LEU 12 -2.357 -16.736 -10.938 97 HD21 LEU 12 HD21 LEU 12 -3.757 -14.692 -12.408 98 HD22 LEU 12 HD22 LEU 12 -5.231 -14.382 -11.495 99 HD23 LEU 12 HD23 LEU 12 -4.766 -16.056 -11.848 100 H ASN 13 H ASN 13 -5.346 -14.715 -6.406 101 HA ASN 13 HA ASN 13 -5.877 -17.192 -5.086 102 HB2 ASN 13 HB2 ASN 13 -5.920 -14.364 -3.990 103 HB3 ASN 13 HB3 ASN 13 -6.049 -15.799 -2.997 104 HD21 ASN 13 HD21 ASN 13 -3.958 -13.668 -3.177 105 HD22 ASN 13 HD22 ASN 13 -2.447 -14.446 -3.633 106 H GLN 14 H GLN 14 -8.014 -14.508 -5.974 107 HA GLN 14 HA GLN 14 -10.237 -15.794 -4.559 108 HB2 GLN 14 HB2 GLN 14 -9.829 -13.082 -5.731 109 HB3 GLN 14 HB3 GLN 14 -11.459 -13.712 -5.447 110 HG2 GLN 14 HG2 GLN 14 -11.029 -12.688 -3.447 111 HG3 GLN 14 HG3 GLN 14 -10.641 -14.346 -3.059 112 HE21 GLN 14 HE21 GLN 14 -9.312 -11.231 -3.939 113 HE22 GLN 14 HE22 GLN 14 -7.808 -11.402 -3.054 114 H GLY 15 H GLY 15 -8.792 -16.780 -7.177 115 HA2 GLY 15 HA2 GLY 15 -9.413 -18.055 -8.944 116 HA3 GLY 15 HA3 GLY 15 -11.094 -17.969 -8.378 117 H ILE 16 H ILE 16 -8.938 -15.233 -9.333 118 HA ILE 16 HA ILE 16 -10.726 -14.751 -11.656 119 HB ILE 16 HB ILE 16 -9.641 -12.822 -9.599 120 HG12 ILE 16 HG12 ILE 16 -12.566 -12.864 -10.208 121 HG13 ILE 16 HG13 ILE 16 -11.983 -14.290 -9.380 122 HG21 ILE 16 HG21 ILE 16 -11.187 -12.151 -12.100 123 HG22 ILE 16 HG22 ILE 16 -10.812 -11.052 -10.763 124 HG23 ILE 16 HG23 ILE 16 -9.506 -11.705 -11.733 125 HD11 ILE 16 HD11 ILE 16 -12.595 -12.887 -7.641 126 HD12 ILE 16 HD12 ILE 16 -10.851 -12.681 -7.727 127 HD13 ILE 16 HD13 ILE 16 -11.932 -11.449 -8.441 128 H THR 17 H THR 17 -9.690 -14.526 -13.517 129 HA THR 17 HA THR 17 -6.728 -14.245 -13.514 130 HB THR 17 HB THR 17 -8.810 -15.330 -15.420 131 HG1 THR 17 HG1 THR 17 -6.168 -16.112 -14.726 132 HG21 THR 17 HG21 THR 17 -7.720 -13.874 -16.962 133 HG22 THR 17 HG22 THR 17 -6.975 -15.463 -17.174 134 HG23 THR 17 HG23 THR 17 -6.120 -14.188 -16.275 135 H LEU 18 H LEU 18 -5.877 -12.253 -13.796 136 HA LEU 18 HA LEU 18 -7.680 -10.076 -14.780 137 HB2 LEU 18 HB2 LEU 18 -4.938 -10.037 -13.486 138 HB3 LEU 18 HB3 LEU 18 -5.583 -8.652 -14.421 139 HG LEU 18 HG LEU 18 -6.996 -9.846 -12.013 140 HD11 LEU 18 HD11 LEU 18 -5.696 -7.126 -11.948 141 HD12 LEU 18 HD12 LEU 18 -4.667 -8.540 -11.755 142 HD13 LEU 18 HD13 LEU 18 -6.008 -8.297 -10.644 143 HD21 LEU 18 HD21 LEU 18 -8.584 -8.676 -13.367 144 HD22 LEU 18 HD22 LEU 18 -7.410 -7.378 -13.739 145 HD23 LEU 18 HD23 LEU 18 -8.096 -7.501 -12.149 146 H PHE 19 H PHE 19 -7.476 -9.280 -16.801 147 HA PHE 19 HA PHE 19 -5.126 -9.741 -18.432 148 HB2 PHE 19 HB2 PHE 19 -6.096 -10.985 -20.079 149 HB3 PHE 19 HB3 PHE 19 -6.825 -11.779 -18.670 150 HD1 PHE 19 HD1 PHE 19 -7.389 -9.776 -21.670 151 HD2 PHE 19 HD2 PHE 19 -9.293 -11.407 -18.149 152 HE1 PHE 19 HE1 PHE 19 -9.572 -9.259 -22.624 153 HE2 PHE 19 HE2 PHE 19 -11.481 -10.594 -19.015 154 HZ PHE 19 HZ PHE 19 -11.654 -9.652 -21.312 155 H VAL 20 H VAL 20 -5.248 -8.039 -20.144 156 HA VAL 20 HA VAL 20 -7.271 -5.927 -19.526 157 HB VAL 20 HB VAL 20 -4.738 -6.177 -20.910 158 HG11 VAL 20 HG11 VAL 20 -6.095 -4.429 -22.076 159 HG12 VAL 20 HG12 VAL 20 -5.889 -3.462 -20.591 160 HG13 VAL 20 HG13 VAL 20 -4.494 -3.977 -21.562 161 HG21 VAL 20 HG21 VAL 20 -3.495 -5.148 -19.397 162 HG22 VAL 20 HG22 VAL 20 -4.892 -4.445 -18.534 163 HG23 VAL 20 HG23 VAL 20 -4.536 -6.178 -18.440 164 H SER 21 H SER 21 -8.701 -5.335 -21.113 165 HA SER 21 HA SER 21 -8.659 -6.779 -23.708 166 HB2 SER 21 HB2 SER 21 -10.509 -7.295 -21.793 167 HB3 SER 21 HB3 SER 21 -11.238 -5.844 -22.490 168 HG SER 21 HG SER 21 -11.968 -7.132 -23.919 169 H ASP 22 H ASP 22 -8.793 -5.397 -25.347 170 HA ASP 22 HA ASP 22 -8.513 -3.482 -26.516 171 HB2 ASP 22 HB2 ASP 22 -11.003 -3.836 -26.195 172 HB3 ASP 22 HB3 ASP 22 -10.963 -2.568 -24.968 173 H ASN 23 H ASN 23 -6.753 -3.470 -24.463 174 HA ASN 23 HA ASN 23 -5.316 -2.236 -23.195 175 HB2 ASN 23 HB2 ASN 23 -5.650 -0.886 -25.598 176 HB3 ASN 23 HB3 ASN 23 -5.914 0.382 -24.423 177 HD21 ASN 23 HD21 ASN 23 -3.723 -2.498 -24.672 178 HD22 ASN 23 HD22 ASN 23 -2.257 -1.606 -24.297 179 H LYS 24 H LYS 24 -7.701 -2.798 -22.059 180 HA LYS 24 HA LYS 24 -7.760 -0.699 -20.039 181 HB2 LYS 24 HB2 LYS 24 -9.648 -0.420 -21.757 182 HB3 LYS 24 HB3 LYS 24 -10.276 -1.975 -21.235 183 HG2 LYS 24 HG2 LYS 24 -11.420 -0.101 -20.043 184 HG3 LYS 24 HG3 LYS 24 -10.552 -1.122 -18.920 185 HD2 LYS 24 HD2 LYS 24 -10.398 1.438 -18.589 186 HD3 LYS 24 HD3 LYS 24 -8.937 0.488 -18.447 187 HE2 LYS 24 HE2 LYS 24 -8.446 2.518 -19.679 188 HE3 LYS 24 HE3 LYS 24 -8.230 1.124 -20.725 189 HZ1 LYS 24 HZ1 LYS 24 -9.348 2.687 -21.964 190 HZ2 LYS 24 HZ2 LYS 24 -10.443 3.051 -20.789 191 HZ3 LYS 24 HZ3 LYS 24 -10.517 1.603 -21.573 192 H LEU 25 H LEU 25 -7.407 -1.619 -18.155 193 HA LEU 25 HA LEU 25 -6.837 -4.304 -17.676 194 HB2 LEU 25 HB2 LEU 25 -6.194 -2.342 -16.321 195 HB3 LEU 25 HB3 LEU 25 -7.823 -2.141 -15.769 196 HG LEU 25 HG LEU 25 -5.922 -3.380 -14.469 197 HD11 LEU 25 HD11 LEU 25 -7.928 -2.841 -13.472 198 HD12 LEU 25 HD12 LEU 25 -7.652 -4.570 -13.143 199 HD13 LEU 25 HD13 LEU 25 -8.819 -4.070 -14.394 200 HD21 LEU 25 HD21 LEU 25 -5.541 -5.176 -16.095 201 HD22 LEU 25 HD22 LEU 25 -7.125 -5.852 -15.664 202 HD23 LEU 25 HD23 LEU 25 -5.859 -5.717 -14.443 203 H LYS 26 H LYS 26 -8.051 -5.954 -17.970 204 HA LYS 26 HA LYS 26 -10.972 -5.768 -17.121 205 HB2 LYS 26 HB2 LYS 26 -9.791 -6.689 -19.604 206 HB3 LYS 26 HB3 LYS 26 -10.591 -8.020 -18.822 207 HG2 LYS 26 HG2 LYS 26 -12.190 -7.030 -20.231 208 HG3 LYS 26 HG3 LYS 26 -12.663 -6.595 -18.582 209 HD2 LYS 26 HD2 LYS 26 -11.765 -4.338 -18.878 210 HD3 LYS 26 HD3 LYS 26 -11.032 -4.796 -20.421 211 HE2 LYS 26 HE2 LYS 26 -13.103 -3.425 -20.682 212 HE3 LYS 26 HE3 LYS 26 -13.141 -4.973 -21.521 213 HZ1 LYS 26 HZ1 LYS 26 -15.193 -4.486 -20.393 214 HZ2 LYS 26 HZ2 LYS 26 -14.485 -4.455 -18.924 215 HZ3 LYS 26 HZ3 LYS 26 -14.541 -5.858 -19.819 216 H TYR 27 H TYR 27 -11.716 -8.416 -16.882 217 HA TYR 27 HA TYR 27 -9.845 -9.889 -15.275 218 HB2 TYR 27 HB2 TYR 27 -10.817 -9.660 -13.075 219 HB3 TYR 27 HB3 TYR 27 -10.795 -8.070 -13.703 220 HD1 TYR 27 HD1 TYR 27 -12.954 -7.013 -14.629 221 HD2 TYR 27 HD2 TYR 27 -12.838 -10.753 -12.470 222 HE1 TYR 27 HE1 TYR 27 -15.355 -6.835 -14.198 223 HE2 TYR 27 HE2 TYR 27 -15.245 -10.539 -11.996 224 HH TYR 27 HH TYR 27 -17.133 -7.897 -12.429 225 H LYS 28 H LYS 28 -10.719 -12.045 -14.876 226 HA LYS 28 HA LYS 28 -13.193 -12.867 -16.318 227 HB2 LYS 28 HB2 LYS 28 -10.314 -13.831 -16.583 228 HB3 LYS 28 HB3 LYS 28 -11.609 -15.003 -16.730 229 HG2 LYS 28 HG2 LYS 28 -11.895 -12.497 -18.311 230 HG3 LYS 28 HG3 LYS 28 -10.622 -13.597 -18.837 231 HD2 LYS 28 HD2 LYS 28 -13.522 -14.451 -18.422 232 HD3 LYS 28 HD3 LYS 28 -12.875 -13.860 -19.970 233 HE2 LYS 28 HE2 LYS 28 -11.110 -15.606 -19.891 234 HE3 LYS 28 HE3 LYS 28 -11.828 -16.268 -18.430 235 HZ1 LYS 28 HZ1 LYS 28 -12.643 -17.453 -20.385 236 HZ2 LYS 28 HZ2 LYS 28 -13.257 -16.060 -21.024 237 HZ3 LYS 28 HZ3 LYS 28 -13.887 -16.669 -19.659 238 H THR 29 H THR 29 -14.293 -14.511 -15.206 239 HA THR 29 HA THR 29 -13.185 -16.103 -13.125 240 HB THR 29 HB THR 29 -13.163 -14.106 -11.794 241 HG1 THR 29 HG1 THR 29 -15.419 -14.529 -10.625 242 HG21 THR 29 HG21 THR 29 -15.153 -12.666 -11.452 243 HG22 THR 29 HG22 THR 29 -15.991 -13.516 -12.757 244 HG23 THR 29 HG23 THR 29 -14.522 -12.573 -13.104 245 H ASN 30 H ASN 30 -14.932 -17.461 -12.241 246 HA ASN 30 HA ASN 30 -17.285 -17.589 -14.095 247 HB2 ASN 30 HB2 ASN 30 -15.700 -19.672 -12.605 248 HB3 ASN 30 HB3 ASN 30 -17.419 -19.945 -12.888 249 HD21 ASN 30 HD21 ASN 30 -16.917 -21.693 -14.301 250 HD22 ASN 30 HD22 ASN 30 -16.293 -21.440 -15.912 251 H ARG 31 H ARG 31 -16.488 -16.333 -11.142 252 HA ARG 31 HA ARG 31 -19.260 -16.587 -10.161 253 HB2 ARG 31 HB2 ARG 31 -18.537 -16.587 -7.918 254 HB3 ARG 31 HB3 ARG 31 -17.722 -17.908 -8.729 255 HG2 ARG 31 HG2 ARG 31 -16.320 -15.249 -8.205 256 HG3 ARG 31 HG3 ARG 31 -16.470 -16.466 -6.980 257 HD2 ARG 31 HD2 ARG 31 -15.182 -17.095 -9.630 258 HD3 ARG 31 HD3 ARG 31 -14.287 -16.395 -8.286 259 HE ARG 31 HE ARG 31 -15.253 -19.127 -8.593 260 HH11 ARG 31 HH11 ARG 31 -14.169 -16.821 -6.090 261 HH12 ARG 31 HH12 ARG 31 -13.746 -18.102 -4.994 262 HH21 ARG 31 HH21 ARG 31 -14.545 -20.689 -7.236 263 HH22 ARG 31 HH22 ARG 31 -13.704 -20.336 -5.748 264 H ASP 32 H ASP 32 -20.259 -14.712 -9.814 265 HA ASP 32 HA ASP 32 -18.938 -12.199 -10.571 266 HB2 ASP 32 HB2 ASP 32 -21.201 -11.236 -10.229 267 HB3 ASP 32 HB3 ASP 32 -21.268 -12.639 -11.294 268 H SER 33 H SER 33 -19.625 -14.030 -7.803 269 HA SER 33 HA SER 33 -19.915 -12.108 -5.765 270 HB2 SER 33 HB2 SER 33 -20.376 -14.802 -6.152 271 HB3 SER 33 HB3 SER 33 -18.967 -14.862 -5.100 272 HG SER 33 HG SER 33 -21.409 -13.444 -4.772 273 H ILE 34 H ILE 34 -17.535 -11.559 -7.332 274 HA ILE 34 HA ILE 34 -15.179 -12.322 -5.822 275 HB ILE 34 HB ILE 34 -14.014 -10.829 -7.371 276 HG12 ILE 34 HG12 ILE 34 -15.421 -9.810 -9.304 277 HG13 ILE 34 HG13 ILE 34 -16.758 -9.795 -8.160 278 HG21 ILE 34 HG21 ILE 34 -14.853 -13.121 -8.093 279 HG22 ILE 34 HG22 ILE 34 -16.168 -12.270 -8.934 280 HG23 ILE 34 HG23 ILE 34 -14.488 -11.971 -9.396 281 HD11 ILE 34 HD11 ILE 34 -15.503 -8.254 -6.703 282 HD12 ILE 34 HD12 ILE 34 -14.058 -8.412 -7.734 283 HD13 ILE 34 HD13 ILE 34 -15.555 -7.680 -8.356 284 HA PRO 35 HA PRO 35 -15.442 -9.126 -2.763 285 HB2 PRO 35 HB2 PRO 35 -12.885 -8.518 -2.183 286 HB3 PRO 35 HB3 PRO 35 -13.566 -10.143 -1.836 287 HG2 PRO 35 HG2 PRO 35 -11.975 -9.243 -4.262 288 HG3 PRO 35 HG3 PRO 35 -11.628 -10.632 -3.203 289 HD2 PRO 35 HD2 PRO 35 -13.011 -10.932 -5.515 290 HD3 PRO 35 HD3 PRO 35 -13.509 -11.841 -4.067 291 H SER 36 H SER 36 -15.688 -6.845 -2.668 292 HA SER 36 HA SER 36 -15.327 -5.313 -5.030 293 HB2 SER 36 HB2 SER 36 -15.489 -4.228 -2.189 294 HB3 SER 36 HB3 SER 36 -15.972 -3.419 -3.690 295 HG SER 36 HG SER 36 -17.487 -5.300 -3.894 296 H GLU 37 H GLU 37 -13.200 -6.077 -2.369 297 HA GLU 37 HA GLU 37 -11.404 -3.945 -2.427 298 HB2 GLU 37 HB2 GLU 37 -10.007 -5.261 -1.119 299 HB3 GLU 37 HB3 GLU 37 -11.560 -6.046 -0.867 300 HG2 GLU 37 HG2 GLU 37 -10.879 -7.645 -2.762 301 HG3 GLU 37 HG3 GLU 37 -9.262 -6.943 -2.648 302 H LEU 38 H LEU 38 -11.763 -6.644 -4.668 303 HA LEU 38 HA LEU 38 -9.325 -6.145 -6.172 304 HB2 LEU 38 HB2 LEU 38 -11.640 -8.027 -6.334 305 HB3 LEU 38 HB3 LEU 38 -10.861 -7.671 -7.860 306 HG LEU 38 HG LEU 38 -8.749 -8.512 -7.154 307 HD11 LEU 38 HD11 LEU 38 -9.812 -8.859 -4.311 308 HD12 LEU 38 HD12 LEU 38 -8.595 -7.662 -4.800 309 HD13 LEU 38 HD13 LEU 38 -8.220 -9.372 -4.908 310 HD21 LEU 38 HD21 LEU 38 -11.010 -10.250 -6.125 311 HD22 LEU 38 HD22 LEU 38 -9.354 -10.828 -6.315 312 HD23 LEU 38 HD23 LEU 38 -10.255 -10.252 -7.730 313 H LEU 39 H LEU 39 -12.807 -5.566 -6.851 314 HA LEU 39 HA LEU 39 -12.436 -4.182 -9.275 315 HB2 LEU 39 HB2 LEU 39 -14.518 -3.883 -7.085 316 HB3 LEU 39 HB3 LEU 39 -14.585 -2.885 -8.532 317 HG LEU 39 HG LEU 39 -14.492 -5.895 -8.665 318 HD11 LEU 39 HD11 LEU 39 -16.479 -5.205 -7.385 319 HD12 LEU 39 HD12 LEU 39 -16.969 -5.810 -8.972 320 HD13 LEU 39 HD13 LEU 39 -16.934 -4.057 -8.661 321 HD21 LEU 39 HD21 LEU 39 -13.899 -4.795 -10.773 322 HD22 LEU 39 HD22 LEU 39 -15.378 -3.820 -10.702 323 HD23 LEU 39 HD23 LEU 39 -15.472 -5.582 -10.913 324 H GLU 40 H GLU 40 -12.199 -2.974 -5.992 325 HA GLU 40 HA GLU 40 -11.926 -0.191 -6.675 326 HB2 GLU 40 HB2 GLU 40 -11.216 -1.800 -4.194 327 HB3 GLU 40 HB3 GLU 40 -11.170 -0.036 -4.278 328 HG2 GLU 40 HG2 GLU 40 -13.748 -1.482 -5.002 329 HG3 GLU 40 HG3 GLU 40 -13.256 -1.326 -3.330 330 H GLU 41 H GLU 41 -9.490 -2.660 -5.511 331 HA GLU 41 HA GLU 41 -7.284 -0.905 -5.877 332 HB2 GLU 41 HB2 GLU 41 -7.531 -3.213 -4.620 333 HB3 GLU 41 HB3 GLU 41 -6.920 -3.856 -6.143 334 HG2 GLU 41 HG2 GLU 41 -5.033 -3.462 -4.752 335 HG3 GLU 41 HG3 GLU 41 -5.017 -2.149 -5.918 336 H TRP 42 H TRP 42 -8.855 -3.134 -8.121 337 HA TRP 42 HA TRP 42 -6.906 -3.010 -10.164 338 HB2 TRP 42 HB2 TRP 42 -9.927 -3.292 -10.296 339 HB3 TRP 42 HB3 TRP 42 -8.850 -3.472 -11.656 340 HD1 TRP 42 HD1 TRP 42 -6.732 -5.205 -9.585 341 HE1 TRP 42 HE1 TRP 42 -7.296 -7.661 -9.202 342 HE3 TRP 42 HE3 TRP 42 -11.597 -5.123 -11.112 343 HZ2 TRP 42 HZ2 TRP 42 -9.532 -9.425 -9.705 344 HZ3 TRP 42 HZ3 TRP 42 -12.957 -7.209 -11.116 345 HH2 TRP 42 HH2 TRP 42 -11.935 -9.334 -10.415 346 H LYS 43 H LYS 43 -9.572 -0.814 -9.363 347 HA LYS 43 HA LYS 43 -9.195 0.852 -11.767 348 HB2 LYS 43 HB2 LYS 43 -11.362 0.505 -10.322 349 HB3 LYS 43 HB3 LYS 43 -10.611 1.614 -9.166 350 HG2 LYS 43 HG2 LYS 43 -10.414 3.284 -11.133 351 HG3 LYS 43 HG3 LYS 43 -11.413 2.135 -12.048 352 HD2 LYS 43 HD2 LYS 43 -13.123 2.306 -10.153 353 HD3 LYS 43 HD3 LYS 43 -12.147 3.651 -9.514 354 HE2 LYS 43 HE2 LYS 43 -12.360 4.774 -11.783 355 HE3 LYS 43 HE3 LYS 43 -13.456 3.471 -12.266 356 HZ1 LYS 43 HZ1 LYS 43 -14.818 4.174 -10.267 357 HZ2 LYS 43 HZ2 LYS 43 -14.772 5.241 -11.547 358 HZ3 LYS 43 HZ3 LYS 43 -13.891 5.530 -10.212 359 H GLN 44 H GLN 44 -8.063 0.769 -8.461 360 HA GLN 44 HA GLN 44 -6.974 3.452 -8.361 361 HB2 GLN 44 HB2 GLN 44 -6.450 0.946 -6.709 362 HB3 GLN 44 HB3 GLN 44 -5.670 2.485 -6.379 363 HG2 GLN 44 HG2 GLN 44 -7.755 3.581 -5.934 364 HG3 GLN 44 HG3 GLN 44 -8.705 2.251 -6.515 365 HE21 GLN 44 HE21 GLN 44 -8.689 0.233 -5.220 366 HE22 GLN 44 HE22 GLN 44 -8.330 0.289 -3.497 367 H HIS 45 H HIS 45 -5.616 0.259 -9.206 368 HA HIS 45 HA HIS 45 -3.128 1.566 -10.202 369 HB2 HIS 45 HB2 HIS 45 -3.706 -1.255 -9.227 370 HB3 HIS 45 HB3 HIS 45 -2.157 -0.701 -9.815 371 HD1 HIS 45 HD1 HIS 45 -0.803 1.077 -8.376 372 HD2 HIS 45 HD2 HIS 45 -4.412 -0.292 -6.697 373 HE1 HIS 45 HE1 HIS 45 -0.753 1.687 -5.894 374 H LYS 46 H LYS 46 -5.669 1.296 -11.719 375 HA LYS 46 HA LYS 46 -5.630 -0.854 -13.549 376 HB2 LYS 46 HB2 LYS 46 -7.006 0.602 -15.064 377 HB3 LYS 46 HB3 LYS 46 -7.625 0.439 -13.447 378 HG2 LYS 46 HG2 LYS 46 -7.932 2.644 -13.597 379 HG3 LYS 46 HG3 LYS 46 -6.267 2.732 -13.051 380 HD2 LYS 46 HD2 LYS 46 -5.650 2.809 -15.578 381 HD3 LYS 46 HD3 LYS 46 -7.372 3.089 -15.860 382 HE2 LYS 46 HE2 LYS 46 -7.374 5.061 -14.504 383 HE3 LYS 46 HE3 LYS 46 -5.785 4.720 -13.831 384 HZ1 LYS 46 HZ1 LYS 46 -6.241 5.300 -16.693 385 HZ2 LYS 46 HZ2 LYS 46 -4.797 5.272 -15.960 386 HZ3 LYS 46 HZ3 LYS 46 -5.878 6.464 -15.611 387 H GLN 47 H GLN 47 -3.891 2.197 -13.654 388 HA GLN 47 HA GLN 47 -3.129 1.961 -16.334 389 HB2 GLN 47 HB2 GLN 47 -3.296 4.023 -14.783 390 HB3 GLN 47 HB3 GLN 47 -1.728 3.545 -14.140 391 HG2 GLN 47 HG2 GLN 47 -1.690 5.319 -15.925 392 HG3 GLN 47 HG3 GLN 47 -0.697 3.919 -16.327 393 HE21 GLN 47 HE21 GLN 47 -1.317 2.580 -18.052 394 HE22 GLN 47 HE22 GLN 47 -2.511 3.036 -19.205 395 H GLU 48 H GLU 48 -1.258 1.277 -13.308 396 HA GLU 48 HA GLU 48 0.966 0.214 -14.829 397 HB2 GLU 48 HB2 GLU 48 1.723 -0.736 -12.663 398 HB3 GLU 48 HB3 GLU 48 1.486 1.000 -12.654 399 HG2 GLU 48 HG2 GLU 48 -0.780 -0.717 -11.662 400 HG3 GLU 48 HG3 GLU 48 0.662 -0.565 -10.668 401 H LEU 49 H LEU 49 -2.015 -1.200 -13.454 402 HA LEU 49 HA LEU 49 -1.311 -3.915 -13.810 403 HB2 LEU 49 HB2 LEU 49 -3.925 -2.417 -13.770 404 HB3 LEU 49 HB3 LEU 49 -3.935 -4.111 -14.205 405 HG LEU 49 HG LEU 49 -2.692 -3.184 -11.602 406 HD11 LEU 49 HD11 LEU 49 -5.517 -4.230 -12.134 407 HD12 LEU 49 HD12 LEU 49 -5.097 -2.563 -11.673 408 HD13 LEU 49 HD13 LEU 49 -4.806 -3.890 -10.546 409 HD21 LEU 49 HD21 LEU 49 -2.014 -5.445 -12.388 410 HD22 LEU 49 HD22 LEU 49 -3.712 -5.891 -12.615 411 HD23 LEU 49 HD23 LEU 49 -3.079 -5.564 -10.990 412 H ILE 50 H ILE 50 -2.555 -1.556 -16.213 413 HA ILE 50 HA ILE 50 -2.842 -3.612 -18.238 414 HB ILE 50 HB ILE 50 -2.604 -0.577 -18.613 415 HG12 ILE 50 HG12 ILE 50 -5.067 -2.261 -19.013 416 HG13 ILE 50 HG13 ILE 50 -4.610 -1.722 -17.414 417 HG21 ILE 50 HG21 ILE 50 -1.908 -1.422 -20.678 418 HG22 ILE 50 HG22 ILE 50 -3.027 -2.780 -20.613 419 HG23 ILE 50 HG23 ILE 50 -3.637 -1.135 -20.909 420 HD11 ILE 50 HD11 ILE 50 -5.164 0.079 -19.768 421 HD12 ILE 50 HD12 ILE 50 -6.216 -0.188 -18.364 422 HD13 ILE 50 HD13 ILE 50 -4.653 0.629 -18.141 423 H ASP 51 H ASP 51 -0.310 -1.175 -17.468 424 HA ASP 51 HA ASP 51 1.420 -1.752 -19.548 425 HB2 ASP 51 HB2 ASP 51 1.554 0.079 -17.796 426 HB3 ASP 51 HB3 ASP 51 2.314 -1.095 -16.723 427 H PHE 52 H PHE 52 1.191 -3.389 -16.459 428 HA PHE 52 HA PHE 52 3.380 -5.251 -16.887 429 HB2 PHE 52 HB2 PHE 52 2.775 -4.474 -14.669 430 HB3 PHE 52 HB3 PHE 52 1.107 -5.000 -14.899 431 HD1 PHE 52 HD1 PHE 52 4.618 -6.402 -15.018 432 HD2 PHE 52 HD2 PHE 52 0.476 -7.121 -14.025 433 HE1 PHE 52 HE1 PHE 52 5.209 -8.644 -14.135 434 HE2 PHE 52 HE2 PHE 52 1.095 -9.391 -13.176 435 HZ PHE 52 HZ PHE 52 3.442 -10.131 -13.227 436 H LEU 53 H LEU 53 -0.232 -5.434 -17.084 437 HA LEU 53 HA LEU 53 -0.139 -8.275 -17.659 438 HB2 LEU 53 HB2 LEU 53 -2.262 -6.185 -17.763 439 HB3 LEU 53 HB3 LEU 53 -2.577 -7.791 -18.371 440 HG LEU 53 HG LEU 53 -1.473 -7.346 -15.540 441 HD11 LEU 53 HD11 LEU 53 -3.578 -6.121 -15.842 442 HD12 LEU 53 HD12 LEU 53 -3.715 -7.454 -14.695 443 HD13 LEU 53 HD13 LEU 53 -4.387 -7.623 -16.350 444 HD21 LEU 53 HD21 LEU 53 -2.567 -9.579 -15.139 445 HD22 LEU 53 HD22 LEU 53 -1.240 -9.638 -16.285 446 HD23 LEU 53 HD23 LEU 53 -2.906 -9.686 -16.882 447 H THR 54 H THR 54 0.008 -5.400 -19.660 448 HA THR 54 HA THR 54 -0.547 -6.979 -22.050 449 HB THR 54 HB THR 54 -1.216 -4.591 -21.650 450 HG1 THR 54 HG1 THR 54 -0.020 -5.585 -23.969 451 HG21 THR 54 HG21 THR 54 1.031 -3.789 -20.913 452 HG22 THR 54 HG22 THR 54 0.132 -2.769 -22.028 453 HG23 THR 54 HG23 THR 54 1.504 -3.762 -22.622 454 H GLN 55 H GLN 55 2.352 -5.779 -20.344 455 HA GLN 55 HA GLN 55 4.104 -6.340 -22.566 456 HB2 GLN 55 HB2 GLN 55 5.870 -5.877 -21.090 457 HB3 GLN 55 HB3 GLN 55 4.499 -4.877 -20.598 458 HG2 GLN 55 HG2 GLN 55 5.096 -5.582 -18.504 459 HG3 GLN 55 HG3 GLN 55 4.059 -6.896 -18.947 460 HE21 GLN 55 HE21 GLN 55 4.862 -8.974 -18.687 461 HE22 GLN 55 HE22 GLN 55 6.543 -9.401 -18.793 462 H LEU 56 H LEU 56 2.585 -8.291 -20.082 463 HA LEU 56 HA LEU 56 4.323 -10.576 -20.556 464 HB2 LEU 56 HB2 LEU 56 3.463 -11.505 -18.751 465 HB3 LEU 56 HB3 LEU 56 3.077 -9.840 -18.396 466 HG LEU 56 HG LEU 56 0.709 -10.399 -19.338 467 HD11 LEU 56 HD11 LEU 56 0.045 -12.776 -18.932 468 HD12 LEU 56 HD12 LEU 56 1.755 -13.172 -18.710 469 HD13 LEU 56 HD13 LEU 56 1.170 -12.627 -20.292 470 HD21 LEU 56 HD21 LEU 56 0.081 -11.266 -17.083 471 HD22 LEU 56 HD22 LEU 56 1.222 -9.903 -16.983 472 HD23 LEU 56 HD23 LEU 56 1.797 -11.556 -16.745 473 H GLU 57 H GLU 57 1.192 -9.328 -21.648 474 HA GLU 57 HA GLU 57 0.246 -11.560 -23.081 475 HB2 GLU 57 HB2 GLU 57 -0.834 -9.334 -22.353 476 HB3 GLU 57 HB3 GLU 57 -0.152 -8.638 -23.820 477 HG2 GLU 57 HG2 GLU 57 -1.519 -10.209 -25.158 478 HG3 GLU 57 HG3 GLU 57 -2.196 -10.880 -23.657 479 H SER 58 H SER 58 2.935 -9.497 -23.757 480 HA SER 58 HA SER 58 3.007 -9.887 -26.671 481 HB2 SER 58 HB2 SER 58 4.961 -8.726 -24.650 482 HB3 SER 58 HB3 SER 58 5.139 -8.620 -26.406 483 HG SER 58 HG SER 58 4.155 -6.740 -25.236 484 H GLU 59 H GLU 59 4.088 -11.504 -23.780 485 HA GLU 59 HA GLU 59 6.359 -12.822 -25.061 486 HB2 GLU 59 HB2 GLU 59 6.409 -12.119 -22.684 487 HB3 GLU 59 HB3 GLU 59 5.180 -13.337 -22.320 488 HG2 GLU 59 HG2 GLU 59 6.702 -15.103 -23.246 489 HG3 GLU 59 HG3 GLU 59 7.927 -13.868 -23.532 490 H GLU 60 H GLU 60 6.035 -14.365 -26.397 491 HA GLU 60 HA GLU 60 3.730 -15.818 -26.983 492 HB2 GLU 60 HB2 GLU 60 5.131 -16.925 -28.586 493 HB3 GLU 60 HB3 GLU 60 5.594 -15.223 -28.460 494 HG2 GLU 60 HG2 GLU 60 7.249 -16.148 -26.595 495 HG3 GLU 60 HG3 GLU 60 7.008 -17.673 -27.413 496 H GLU 61 H GLU 61 5.521 -16.308 -24.249 497 HA GLU 61 HA GLU 61 4.634 -19.100 -23.854 498 HB2 GLU 61 HB2 GLU 61 7.460 -18.018 -23.425 499 HB3 GLU 61 HB3 GLU 61 6.888 -19.491 -22.658 500 HG2 GLU 61 HG2 GLU 61 7.204 -19.043 -25.628 501 HG3 GLU 61 HG3 GLU 61 8.198 -20.052 -24.588 502 H SER 62 H SER 62 3.848 -16.225 -22.971 503 HA SER 62 HA SER 62 4.560 -15.926 -20.262 504 HB2 SER 62 HB2 SER 62 2.317 -14.667 -20.150 505 HB3 SER 62 HB3 SER 62 3.622 -14.006 -21.106 506 HG SER 62 HG SER 62 2.596 -14.468 -22.928 Start of MODEL 12 1 H1 MET 1 H MET 1 2.540 -0.464 0.131 2 HA MET 1 HA MET 1 1.630 1.185 -2.120 3 HB2 MET 1 HB2 MET 1 3.716 2.146 -1.395 4 HB3 MET 1 HB3 MET 1 4.507 0.560 -1.377 5 HG2 MET 1 HG2 MET 1 4.279 0.427 -3.831 6 HG3 MET 1 HG3 MET 1 3.427 1.977 -3.843 7 HE1 MET 1 HE1 MET 1 5.073 2.601 -5.729 8 HE2 MET 1 HE2 MET 1 6.798 2.978 -5.503 9 HE3 MET 1 HE3 MET 1 6.272 1.296 -5.592 10 H LYS 2 H LYS 2 0.706 -0.199 -3.546 11 HA LYS 2 HA LYS 2 1.798 -2.997 -3.735 12 HB2 LYS 2 HB2 LYS 2 -0.927 -1.855 -4.532 13 HB3 LYS 2 HB3 LYS 2 -0.323 -3.435 -5.033 14 HG2 LYS 2 HG2 LYS 2 -1.336 -4.215 -3.218 15 HG3 LYS 2 HG3 LYS 2 0.137 -3.734 -2.413 16 HD2 LYS 2 HD2 LYS 2 -1.620 -2.972 -1.041 17 HD3 LYS 2 HD3 LYS 2 -1.020 -1.517 -1.854 18 HE2 LYS 2 HE2 LYS 2 -2.905 -1.558 -3.413 19 HE3 LYS 2 HE3 LYS 2 -3.388 -3.158 -2.848 20 HZ1 LYS 2 HZ1 LYS 2 -4.796 -1.539 -1.936 21 HZ2 LYS 2 HZ2 LYS 2 -3.575 -0.655 -1.297 22 HZ3 LYS 2 HZ3 LYS 2 -3.907 -2.157 -0.684 23 H ASN 3 H ASN 3 1.586 -3.867 -5.972 24 HA ASN 3 HA ASN 3 2.386 -2.021 -8.082 25 HB2 ASN 3 HB2 ASN 3 4.141 -3.713 -8.787 26 HB3 ASN 3 HB3 ASN 3 4.539 -2.854 -7.313 27 HD21 ASN 3 HD21 ASN 3 4.227 -6.085 -8.570 28 HD22 ASN 3 HD22 ASN 3 3.914 -6.808 -7.007 29 H ALA 4 H ALA 4 2.124 -3.035 -10.180 30 HA ALA 4 HA ALA 4 -0.389 -4.010 -10.439 31 HB1 ALA 4 HB1 ALA 4 1.997 -4.388 -12.291 32 HB2 ALA 4 HB2 ALA 4 0.320 -4.714 -12.758 33 HB3 ALA 4 HB3 ALA 4 0.802 -3.067 -12.314 34 H ALA 5 H ALA 5 2.562 -6.109 -10.479 35 HA ALA 5 HA ALA 5 1.156 -8.494 -10.948 36 HB1 ALA 5 HB1 ALA 5 3.699 -8.172 -10.977 37 HB2 ALA 5 HB2 ALA 5 3.669 -8.241 -9.202 38 HB3 ALA 5 HB3 ALA 5 3.132 -9.634 -10.145 39 H LYS 6 H LYS 6 1.779 -6.702 -7.880 40 HA LYS 6 HA LYS 6 1.234 -8.632 -5.975 41 HB2 LYS 6 HB2 LYS 6 1.788 -5.962 -6.028 42 HB3 LYS 6 HB3 LYS 6 0.119 -5.867 -5.535 43 HG2 LYS 6 HG2 LYS 6 2.344 -7.362 -4.085 44 HG3 LYS 6 HG3 LYS 6 1.728 -5.765 -3.709 45 HD2 LYS 6 HD2 LYS 6 0.644 -6.990 -2.151 46 HD3 LYS 6 HD3 LYS 6 -0.596 -6.957 -3.417 47 HE2 LYS 6 HE2 LYS 6 -0.154 -9.212 -4.028 48 HE3 LYS 6 HE3 LYS 6 1.441 -9.202 -3.260 49 HZ1 LYS 6 HZ1 LYS 6 0.326 -9.096 -1.108 50 HZ2 LYS 6 HZ2 LYS 6 -0.077 -10.443 -1.930 51 HZ3 LYS 6 HZ3 LYS 6 -1.142 -9.178 -1.822 52 H ILE 7 H ILE 7 -1.064 -6.363 -7.484 53 HA ILE 7 HA ILE 7 -3.356 -7.557 -6.226 54 HB ILE 7 HB ILE 7 -3.625 -6.034 -8.801 55 HG12 ILE 7 HG12 ILE 7 -3.815 -4.032 -6.857 56 HG13 ILE 7 HG13 ILE 7 -2.406 -4.935 -6.302 57 HG21 ILE 7 HG21 ILE 7 -5.626 -5.099 -7.716 58 HG22 ILE 7 HG22 ILE 7 -5.680 -6.849 -7.875 59 HG23 ILE 7 HG23 ILE 7 -5.317 -6.109 -6.291 60 HD11 ILE 7 HD11 ILE 7 -3.020 -3.780 -9.035 61 HD12 ILE 7 HD12 ILE 7 -1.750 -3.214 -7.908 62 HD13 ILE 7 HD13 ILE 7 -1.623 -4.813 -8.708 63 H VAL 8 H VAL 8 -1.764 -8.165 -9.366 64 HA VAL 8 HA VAL 8 -3.767 -9.705 -10.517 65 HB VAL 8 HB VAL 8 -0.782 -9.897 -10.870 66 HG11 VAL 8 HG11 VAL 8 -1.774 -12.027 -11.583 67 HG12 VAL 8 HG12 VAL 8 -3.079 -11.163 -12.419 68 HG13 VAL 8 HG13 VAL 8 -1.401 -11.086 -13.029 69 HG21 VAL 8 HG21 VAL 8 -2.938 -8.766 -12.732 70 HG22 VAL 8 HG22 VAL 8 -2.043 -7.751 -11.603 71 HG23 VAL 8 HG23 VAL 8 -1.177 -8.597 -12.891 72 H ASN 9 H ASN 9 -1.007 -10.822 -8.641 73 HA ASN 9 HA ASN 9 -1.710 -13.530 -8.465 74 HB2 ASN 9 HB2 ASN 9 0.281 -13.505 -7.576 75 HB3 ASN 9 HB3 ASN 9 0.254 -11.739 -7.445 76 HD21 ASN 9 HD21 ASN 9 -0.175 -10.814 -5.422 77 HD22 ASN 9 HD22 ASN 9 0.099 -11.783 -3.955 78 H GLU 10 H GLU 10 -2.804 -10.792 -6.427 79 HA GLU 10 HA GLU 10 -3.975 -12.485 -4.450 80 HB2 GLU 10 HB2 GLU 10 -4.306 -9.570 -5.230 81 HB3 GLU 10 HB3 GLU 10 -5.309 -10.283 -3.953 82 HG2 GLU 10 HG2 GLU 10 -3.413 -10.793 -2.595 83 HG3 GLU 10 HG3 GLU 10 -2.278 -10.429 -3.887 84 H ALA 11 H ALA 11 -5.172 -11.041 -7.537 85 HA ALA 11 HA ALA 11 -7.907 -11.710 -7.108 86 HB1 ALA 11 HB1 ALA 11 -6.187 -11.049 -9.498 87 HB2 ALA 11 HB2 ALA 11 -7.864 -11.575 -9.734 88 HB3 ALA 11 HB3 ALA 11 -7.496 -10.123 -8.769 89 H LEU 12 H LEU 12 -5.147 -13.475 -8.494 90 HA LEU 12 HA LEU 12 -6.589 -15.738 -9.455 91 HB2 LEU 12 HB2 LEU 12 -3.844 -15.649 -8.212 92 HB3 LEU 12 HB3 LEU 12 -4.465 -16.987 -9.159 93 HG LEU 12 HG LEU 12 -3.920 -14.178 -10.211 94 HD11 LEU 12 HD11 LEU 12 -2.306 -16.608 -10.999 95 HD12 LEU 12 HD12 LEU 12 -1.866 -15.586 -9.605 96 HD13 LEU 12 HD13 LEU 12 -1.972 -14.899 -11.225 97 HD21 LEU 12 HD21 LEU 12 -4.766 -16.774 -11.618 98 HD22 LEU 12 HD22 LEU 12 -4.263 -15.291 -12.454 99 HD23 LEU 12 HD23 LEU 12 -5.724 -15.293 -11.465 100 H ASN 13 H ASN 13 -5.423 -14.935 -6.178 101 HA ASN 13 HA ASN 13 -6.011 -17.465 -4.996 102 HB2 ASN 13 HB2 ASN 13 -6.041 -14.693 -3.724 103 HB3 ASN 13 HB3 ASN 13 -6.193 -16.199 -2.840 104 HD21 ASN 13 HD21 ASN 13 -3.990 -14.090 -2.776 105 HD22 ASN 13 HD22 ASN 13 -2.555 -15.006 -3.065 106 H GLN 14 H GLN 14 -8.069 -14.580 -5.493 107 HA GLN 14 HA GLN 14 -10.329 -15.913 -4.232 108 HB2 GLN 14 HB2 GLN 14 -9.879 -13.230 -5.493 109 HB3 GLN 14 HB3 GLN 14 -11.532 -13.827 -5.260 110 HG2 GLN 14 HG2 GLN 14 -10.957 -12.562 -3.319 111 HG3 GLN 14 HG3 GLN 14 -11.063 -14.253 -2.871 112 HE21 GLN 14 HE21 GLN 14 -8.864 -11.534 -3.389 113 HE22 GLN 14 HE22 GLN 14 -7.483 -12.250 -2.595 114 H GLY 15 H GLY 15 -8.875 -16.609 -7.104 115 HA2 GLY 15 HA2 GLY 15 -9.570 -18.080 -8.712 116 HA3 GLY 15 HA3 GLY 15 -11.229 -17.996 -8.107 117 H ILE 16 H ILE 16 -9.064 -15.278 -9.123 118 HA ILE 16 HA ILE 16 -10.881 -14.775 -11.439 119 HB ILE 16 HB ILE 16 -9.673 -12.917 -9.408 120 HG12 ILE 16 HG12 ILE 16 -12.655 -12.879 -9.893 121 HG13 ILE 16 HG13 ILE 16 -12.059 -14.298 -9.071 122 HG21 ILE 16 HG21 ILE 16 -11.296 -12.093 -11.839 123 HG22 ILE 16 HG22 ILE 16 -10.902 -11.070 -10.475 124 HG23 ILE 16 HG23 ILE 16 -9.595 -11.690 -11.460 125 HD11 ILE 16 HD11 ILE 16 -10.872 -12.666 -7.470 126 HD12 ILE 16 HD12 ILE 16 -11.986 -11.447 -8.174 127 HD13 ILE 16 HD13 ILE 16 -12.621 -12.880 -7.340 128 H THR 17 H THR 17 -9.840 -14.153 -13.279 129 HA THR 17 HA THR 17 -6.856 -13.990 -13.264 130 HB THR 17 HB THR 17 -8.896 -15.088 -15.222 131 HG1 THR 17 HG1 THR 17 -6.440 -16.179 -14.378 132 HG21 THR 17 HG21 THR 17 -6.871 -15.451 -16.744 133 HG22 THR 17 HG22 THR 17 -6.047 -14.229 -15.737 134 HG23 THR 17 HG23 THR 17 -7.498 -13.801 -16.658 135 H LEU 18 H LEU 18 -5.996 -12.055 -13.926 136 HA LEU 18 HA LEU 18 -7.862 -9.960 -14.889 137 HB2 LEU 18 HB2 LEU 18 -5.151 -9.876 -13.517 138 HB3 LEU 18 HB3 LEU 18 -5.902 -8.465 -14.349 139 HG LEU 18 HG LEU 18 -7.554 -10.007 -12.353 140 HD11 LEU 18 HD11 LEU 18 -5.373 -8.055 -11.455 141 HD12 LEU 18 HD12 LEU 18 -5.522 -9.830 -11.232 142 HD13 LEU 18 HD13 LEU 18 -6.649 -8.768 -10.467 143 HD21 LEU 18 HD21 LEU 18 -8.243 -8.045 -13.848 144 HD22 LEU 18 HD22 LEU 18 -7.363 -7.022 -12.695 145 HD23 LEU 18 HD23 LEU 18 -8.735 -8.055 -12.184 146 H PHE 19 H PHE 19 -7.637 -9.181 -16.914 147 HA PHE 19 HA PHE 19 -5.273 -9.727 -18.497 148 HB2 PHE 19 HB2 PHE 19 -6.429 -10.847 -20.253 149 HB3 PHE 19 HB3 PHE 19 -6.808 -11.755 -18.795 150 HD1 PHE 19 HD1 PHE 19 -8.141 -9.502 -21.418 151 HD2 PHE 19 HD2 PHE 19 -9.117 -11.784 -17.915 152 HE1 PHE 19 HE1 PHE 19 -10.537 -9.326 -21.997 153 HE2 PHE 19 HE2 PHE 19 -11.563 -11.527 -18.475 154 HZ PHE 19 HZ PHE 19 -12.255 -10.345 -20.514 155 H VAL 20 H VAL 20 -5.276 -8.022 -20.242 156 HA VAL 20 HA VAL 20 -7.305 -5.820 -19.858 157 HB VAL 20 HB VAL 20 -4.718 -6.163 -21.025 158 HG11 VAL 20 HG11 VAL 20 -4.302 -3.928 -21.521 159 HG12 VAL 20 HG12 VAL 20 -5.818 -4.341 -22.270 160 HG13 VAL 20 HG13 VAL 20 -5.820 -3.412 -20.743 161 HG21 VAL 20 HG21 VAL 20 -3.502 -5.149 -19.460 162 HG22 VAL 20 HG22 VAL 20 -4.943 -4.501 -18.605 163 HG23 VAL 20 HG23 VAL 20 -4.553 -6.228 -18.591 164 H SER 21 H SER 21 -8.210 -4.904 -21.678 165 HA SER 21 HA SER 21 -8.257 -6.344 -24.246 166 HB2 SER 21 HB2 SER 21 -10.061 -7.243 -22.707 167 HB3 SER 21 HB3 SER 21 -10.641 -5.572 -22.523 168 HG SER 21 HG SER 21 -11.685 -7.053 -24.104 169 H ASP 22 H ASP 22 -8.008 -4.673 -25.750 170 HA ASP 22 HA ASP 22 -7.592 -2.574 -26.492 171 HB2 ASP 22 HB2 ASP 22 -9.980 -2.865 -27.001 172 HB3 ASP 22 HB3 ASP 22 -10.404 -2.205 -25.426 173 H ASN 23 H ASN 23 -6.194 -2.814 -24.420 174 HA ASN 23 HA ASN 23 -4.965 -1.628 -22.894 175 HB2 ASN 23 HB2 ASN 23 -5.234 -0.074 -25.090 176 HB3 ASN 23 HB3 ASN 23 -6.027 0.991 -23.956 177 HD21 ASN 23 HD21 ASN 23 -3.156 -1.143 -24.085 178 HD22 ASN 23 HD22 ASN 23 -2.024 0.027 -23.440 179 H LYS 24 H LYS 24 -7.550 -2.426 -22.070 180 HA LYS 24 HA LYS 24 -8.008 -0.489 -19.905 181 HB2 LYS 24 HB2 LYS 24 -9.687 -0.222 -21.752 182 HB3 LYS 24 HB3 LYS 24 -10.175 -1.899 -21.529 183 HG2 LYS 24 HG2 LYS 24 -11.714 -0.481 -20.324 184 HG3 LYS 24 HG3 LYS 24 -10.818 -1.459 -19.174 185 HD2 LYS 24 HD2 LYS 24 -9.577 0.391 -18.375 186 HD3 LYS 24 HD3 LYS 24 -9.767 1.276 -19.894 187 HE2 LYS 24 HE2 LYS 24 -12.241 1.429 -19.442 188 HE3 LYS 24 HE3 LYS 24 -11.919 0.775 -17.821 189 HZ1 LYS 24 HZ1 LYS 24 -10.725 3.280 -18.884 190 HZ2 LYS 24 HZ2 LYS 24 -10.600 2.683 -17.341 191 HZ3 LYS 24 HZ3 LYS 24 -12.040 3.194 -17.890 192 H LEU 25 H LEU 25 -7.704 -1.522 -18.081 193 HA LEU 25 HA LEU 25 -6.946 -4.247 -17.838 194 HB2 LEU 25 HB2 LEU 25 -6.244 -2.518 -16.339 195 HB3 LEU 25 HB3 LEU 25 -7.877 -2.169 -15.814 196 HG LEU 25 HG LEU 25 -6.193 -3.553 -14.435 197 HD11 LEU 25 HD11 LEU 25 -7.894 -4.711 -13.262 198 HD12 LEU 25 HD12 LEU 25 -9.033 -4.534 -14.610 199 HD13 LEU 25 HD13 LEU 25 -8.415 -3.082 -13.732 200 HD21 LEU 25 HD21 LEU 25 -6.338 -5.959 -14.614 201 HD22 LEU 25 HD22 LEU 25 -5.465 -5.169 -15.948 202 HD23 LEU 25 HD23 LEU 25 -7.095 -5.834 -16.168 203 H LYS 26 H LYS 26 -8.123 -5.926 -18.185 204 HA LYS 26 HA LYS 26 -11.058 -5.777 -17.382 205 HB2 LYS 26 HB2 LYS 26 -9.756 -6.792 -19.812 206 HB3 LYS 26 HB3 LYS 26 -10.655 -8.059 -18.999 207 HG2 LYS 26 HG2 LYS 26 -12.013 -6.953 -20.657 208 HG3 LYS 26 HG3 LYS 26 -12.681 -6.692 -19.032 209 HD2 LYS 26 HD2 LYS 26 -11.865 -4.393 -19.000 210 HD3 LYS 26 HD3 LYS 26 -10.862 -4.664 -20.425 211 HE2 LYS 26 HE2 LYS 26 -12.920 -3.350 -20.898 212 HE3 LYS 26 HE3 LYS 26 -12.751 -4.804 -21.880 213 HZ1 LYS 26 HZ1 LYS 26 -14.413 -4.735 -19.437 214 HZ2 LYS 26 HZ2 LYS 26 -14.343 -5.914 -20.580 215 HZ3 LYS 26 HZ3 LYS 26 -15.011 -4.475 -20.946 216 H TYR 27 H TYR 27 -11.860 -8.147 -16.807 217 HA TYR 27 HA TYR 27 -9.952 -9.679 -15.233 218 HB2 TYR 27 HB2 TYR 27 -11.021 -9.345 -13.046 219 HB3 TYR 27 HB3 TYR 27 -10.726 -7.784 -13.736 220 HD1 TYR 27 HD1 TYR 27 -12.562 -6.301 -14.372 221 HD2 TYR 27 HD2 TYR 27 -13.242 -10.301 -12.972 222 HE1 TYR 27 HE1 TYR 27 -14.989 -5.782 -14.137 223 HE2 TYR 27 HE2 TYR 27 -15.697 -9.831 -12.785 224 HH TYR 27 HH TYR 27 -17.382 -8.267 -13.406 225 H LYS 28 H LYS 28 -10.750 -11.807 -14.884 226 HA LYS 28 HA LYS 28 -13.245 -12.655 -16.253 227 HB2 LYS 28 HB2 LYS 28 -10.640 -13.065 -17.175 228 HB3 LYS 28 HB3 LYS 28 -10.891 -14.488 -16.237 229 HG2 LYS 28 HG2 LYS 28 -13.038 -13.630 -18.210 230 HG3 LYS 28 HG3 LYS 28 -11.536 -14.315 -18.817 231 HD2 LYS 28 HD2 LYS 28 -13.195 -15.744 -16.704 232 HD3 LYS 28 HD3 LYS 28 -13.457 -15.960 -18.445 233 HE2 LYS 28 HE2 LYS 28 -11.215 -16.738 -18.808 234 HE3 LYS 28 HE3 LYS 28 -10.701 -16.293 -17.185 235 HZ1 LYS 28 HZ1 LYS 28 -11.176 -18.684 -17.513 236 HZ2 LYS 28 HZ2 LYS 28 -12.764 -18.336 -17.712 237 HZ3 LYS 28 HZ3 LYS 28 -12.036 -18.011 -16.268 238 H THR 29 H THR 29 -14.353 -14.338 -15.038 239 HA THR 29 HA THR 29 -12.949 -15.732 -12.915 240 HB THR 29 HB THR 29 -13.218 -13.723 -11.699 241 HG1 THR 29 HG1 THR 29 -15.418 -14.421 -10.545 242 HG21 THR 29 HG21 THR 29 -15.472 -12.665 -11.319 243 HG22 THR 29 HG22 THR 29 -16.064 -13.566 -12.721 244 HG23 THR 29 HG23 THR 29 -14.735 -12.377 -12.904 245 H ASN 30 H ASN 30 -14.339 -17.315 -11.910 246 HA ASN 30 HA ASN 30 -16.497 -18.176 -13.747 247 HB2 ASN 30 HB2 ASN 30 -14.448 -19.600 -12.397 248 HB3 ASN 30 HB3 ASN 30 -15.950 -20.067 -11.598 249 HD21 ASN 30 HD21 ASN 30 -14.118 -21.583 -13.565 250 HD22 ASN 30 HD22 ASN 30 -15.219 -22.092 -14.814 251 H ARG 31 H ARG 31 -16.342 -16.286 -10.993 252 HA ARG 31 HA ARG 31 -19.149 -16.779 -10.315 253 HB2 ARG 31 HB2 ARG 31 -18.727 -16.729 -8.018 254 HB3 ARG 31 HB3 ARG 31 -17.714 -18.000 -8.707 255 HG2 ARG 31 HG2 ARG 31 -16.576 -15.240 -8.052 256 HG3 ARG 31 HG3 ARG 31 -16.780 -16.487 -6.827 257 HD2 ARG 31 HD2 ARG 31 -15.461 -17.854 -8.900 258 HD3 ARG 31 HD3 ARG 31 -14.768 -16.250 -8.957 259 HE ARG 31 HE ARG 31 -13.626 -16.590 -7.072 260 HH11 ARG 31 HH11 ARG 31 -16.241 -19.046 -7.035 261 HH12 ARG 31 HH12 ARG 31 -15.456 -19.962 -5.783 262 HH21 ARG 31 HH21 ARG 31 -12.764 -17.717 -5.398 263 HH22 ARG 31 HH22 ARG 31 -13.542 -19.111 -4.716 264 H ASP 32 H ASP 32 -20.119 -14.881 -9.305 265 HA ASP 32 HA ASP 32 -18.702 -12.342 -9.930 266 HB2 ASP 32 HB2 ASP 32 -20.940 -11.361 -10.097 267 HB3 ASP 32 HB3 ASP 32 -20.614 -12.602 -11.309 268 H SER 33 H SER 33 -19.515 -14.265 -7.316 269 HA SER 33 HA SER 33 -20.231 -12.150 -5.460 270 HB2 SER 33 HB2 SER 33 -20.955 -14.615 -5.459 271 HB3 SER 33 HB3 SER 33 -19.361 -14.980 -4.765 272 HG SER 33 HG SER 33 -21.174 -14.546 -3.272 273 H ILE 34 H ILE 34 -17.725 -11.786 -6.880 274 HA ILE 34 HA ILE 34 -15.433 -12.382 -5.245 275 HB ILE 34 HB ILE 34 -14.246 -11.052 -6.921 276 HG12 ILE 34 HG12 ILE 34 -15.890 -10.237 -8.884 277 HG13 ILE 34 HG13 ILE 34 -16.974 -9.935 -7.558 278 HG21 ILE 34 HG21 ILE 34 -16.394 -12.695 -8.314 279 HG22 ILE 34 HG22 ILE 34 -14.734 -12.406 -8.835 280 HG23 ILE 34 HG23 ILE 34 -15.034 -13.392 -7.405 281 HD11 ILE 34 HD11 ILE 34 -15.411 -8.379 -6.555 282 HD12 ILE 34 HD12 ILE 34 -14.111 -8.839 -7.684 283 HD13 ILE 34 HD13 ILE 34 -15.560 -7.997 -8.266 284 HA PRO 35 HA PRO 35 -15.549 -8.970 -2.449 285 HB2 PRO 35 HB2 PRO 35 -12.968 -8.322 -2.008 286 HB3 PRO 35 HB3 PRO 35 -13.665 -9.882 -1.486 287 HG2 PRO 35 HG2 PRO 35 -12.080 -9.292 -3.987 288 HG3 PRO 35 HG3 PRO 35 -11.809 -10.601 -2.798 289 HD2 PRO 35 HD2 PRO 35 -13.214 -10.982 -5.119 290 HD3 PRO 35 HD3 PRO 35 -13.685 -11.803 -3.604 291 H SER 36 H SER 36 -16.002 -6.799 -2.655 292 HA SER 36 HA SER 36 -15.647 -5.438 -5.098 293 HB2 SER 36 HB2 SER 36 -17.339 -4.838 -3.401 294 HB3 SER 36 HB3 SER 36 -16.054 -4.263 -2.314 295 HG SER 36 HG SER 36 -15.503 -2.828 -4.163 296 H GLU 37 H GLU 37 -13.360 -5.833 -2.436 297 HA GLU 37 HA GLU 37 -11.798 -3.506 -2.852 298 HB2 GLU 37 HB2 GLU 37 -10.220 -4.509 -1.437 299 HB3 GLU 37 HB3 GLU 37 -11.773 -5.201 -0.927 300 HG2 GLU 37 HG2 GLU 37 -11.170 -7.177 -2.504 301 HG3 GLU 37 HG3 GLU 37 -9.553 -6.479 -2.570 302 H LEU 38 H LEU 38 -11.991 -6.527 -4.648 303 HA LEU 38 HA LEU 38 -9.491 -6.192 -6.074 304 HB2 LEU 38 HB2 LEU 38 -11.801 -8.068 -6.113 305 HB3 LEU 38 HB3 LEU 38 -11.049 -7.824 -7.676 306 HG LEU 38 HG LEU 38 -8.920 -8.534 -6.913 307 HD11 LEU 38 HD11 LEU 38 -8.743 -7.563 -4.612 308 HD12 LEU 38 HD12 LEU 38 -8.381 -9.273 -4.595 309 HD13 LEU 38 HD13 LEU 38 -9.963 -8.706 -4.027 310 HD21 LEU 38 HD21 LEU 38 -9.452 -10.822 -5.916 311 HD22 LEU 38 HD22 LEU 38 -10.273 -10.357 -7.408 312 HD23 LEU 38 HD23 LEU 38 -11.140 -10.296 -5.853 313 H LEU 39 H LEU 39 -12.883 -5.640 -6.977 314 HA LEU 39 HA LEU 39 -12.379 -4.448 -9.485 315 HB2 LEU 39 HB2 LEU 39 -14.582 -3.964 -7.446 316 HB3 LEU 39 HB3 LEU 39 -14.570 -3.142 -8.999 317 HG LEU 39 HG LEU 39 -14.437 -6.162 -8.846 318 HD11 LEU 39 HD11 LEU 39 -16.437 -5.479 -7.609 319 HD12 LEU 39 HD12 LEU 39 -16.908 -6.166 -9.168 320 HD13 LEU 39 HD13 LEU 39 -16.936 -4.405 -8.920 321 HD21 LEU 39 HD21 LEU 39 -13.906 -5.039 -11.037 322 HD22 LEU 39 HD22 LEU 39 -15.523 -4.328 -11.029 323 HD23 LEU 39 HD23 LEU 39 -15.333 -6.085 -11.095 324 H GLU 40 H GLU 40 -12.251 -3.043 -6.275 325 HA GLU 40 HA GLU 40 -11.974 -0.320 -7.185 326 HB2 GLU 40 HB2 GLU 40 -11.451 -1.726 -4.539 327 HB3 GLU 40 HB3 GLU 40 -11.389 0.026 -4.775 328 HG2 GLU 40 HG2 GLU 40 -13.924 -1.394 -5.656 329 HG3 GLU 40 HG3 GLU 40 -13.599 -1.261 -3.938 330 H GLU 41 H GLU 41 -9.580 -2.669 -5.704 331 HA GLU 41 HA GLU 41 -7.420 -0.926 -6.114 332 HB2 GLU 41 HB2 GLU 41 -7.601 -3.198 -4.775 333 HB3 GLU 41 HB3 GLU 41 -6.945 -3.887 -6.270 334 HG2 GLU 41 HG2 GLU 41 -5.108 -3.372 -4.771 335 HG3 GLU 41 HG3 GLU 41 -5.042 -2.273 -6.153 336 H TRP 42 H TRP 42 -8.903 -3.230 -8.307 337 HA TRP 42 HA TRP 42 -6.994 -3.223 -10.388 338 HB2 TRP 42 HB2 TRP 42 -10.017 -3.432 -10.389 339 HB3 TRP 42 HB3 TRP 42 -9.056 -3.653 -11.802 340 HD1 TRP 42 HD1 TRP 42 -6.895 -5.326 -9.591 341 HE1 TRP 42 HE1 TRP 42 -7.503 -7.747 -9.088 342 HE3 TRP 42 HE3 TRP 42 -11.649 -5.317 -11.410 343 HZ2 TRP 42 HZ2 TRP 42 -9.809 -9.478 -9.430 344 HZ3 TRP 42 HZ3 TRP 42 -13.110 -7.319 -11.124 345 HH2 TRP 42 HH2 TRP 42 -12.169 -9.382 -10.114 346 H LYS 43 H LYS 43 -9.509 -0.927 -9.528 347 HA LYS 43 HA LYS 43 -9.156 0.688 -11.990 348 HB2 LYS 43 HB2 LYS 43 -11.398 0.408 -10.926 349 HB3 LYS 43 HB3 LYS 43 -10.813 1.070 -9.416 350 HG2 LYS 43 HG2 LYS 43 -10.582 2.716 -11.933 351 HG3 LYS 43 HG3 LYS 43 -12.146 2.544 -11.138 352 HD2 LYS 43 HD2 LYS 43 -11.463 3.640 -9.179 353 HD3 LYS 43 HD3 LYS 43 -9.765 3.421 -9.468 354 HE2 LYS 43 HE2 LYS 43 -10.222 5.683 -9.906 355 HE3 LYS 43 HE3 LYS 43 -9.905 4.918 -11.464 356 HZ1 LYS 43 HZ1 LYS 43 -11.815 6.369 -11.517 357 HZ2 LYS 43 HZ2 LYS 43 -12.599 5.457 -10.355 358 HZ3 LYS 43 HZ3 LYS 43 -12.304 4.818 -11.820 359 H GLN 44 H GLN 44 -8.074 0.565 -8.681 360 HA GLN 44 HA GLN 44 -7.101 3.295 -8.535 361 HB2 GLN 44 HB2 GLN 44 -6.427 0.824 -6.903 362 HB3 GLN 44 HB3 GLN 44 -5.806 2.432 -6.547 363 HG2 GLN 44 HG2 GLN 44 -7.995 3.295 -6.065 364 HG3 GLN 44 HG3 GLN 44 -8.800 1.930 -6.737 365 HE21 GLN 44 HE21 GLN 44 -6.222 2.434 -4.177 366 HE22 GLN 44 HE22 GLN 44 -6.934 1.224 -3.149 367 H HIS 45 H HIS 45 -5.551 0.154 -9.273 368 HA HIS 45 HA HIS 45 -3.101 1.559 -10.212 369 HB2 HIS 45 HB2 HIS 45 -3.682 -1.294 -9.325 370 HB3 HIS 45 HB3 HIS 45 -2.179 -0.814 -10.069 371 HD1 HIS 45 HD1 HIS 45 -0.315 -0.339 -8.420 372 HD2 HIS 45 HD2 HIS 45 -4.161 0.551 -6.943 373 HE1 HIS 45 HE1 HIS 45 0.013 0.651 -6.110 374 H LYS 46 H LYS 46 -5.762 1.238 -11.738 375 HA LYS 46 HA LYS 46 -5.674 -0.713 -13.706 376 HB2 LYS 46 HB2 LYS 46 -7.012 0.810 -15.155 377 HB3 LYS 46 HB3 LYS 46 -7.602 0.622 -13.537 378 HG2 LYS 46 HG2 LYS 46 -8.009 2.761 -13.662 379 HG3 LYS 46 HG3 LYS 46 -6.371 2.845 -13.016 380 HD2 LYS 46 HD2 LYS 46 -6.732 4.517 -14.665 381 HD3 LYS 46 HD3 LYS 46 -5.515 3.374 -15.215 382 HE2 LYS 46 HE2 LYS 46 -6.993 2.363 -16.800 383 HE3 LYS 46 HE3 LYS 46 -8.399 3.221 -16.119 384 HZ1 LYS 46 HZ1 LYS 46 -6.147 4.714 -17.292 385 HZ2 LYS 46 HZ2 LYS 46 -7.654 5.225 -16.960 386 HZ3 LYS 46 HZ3 LYS 46 -7.431 4.166 -18.197 387 H GLN 47 H GLN 47 -3.986 2.425 -13.806 388 HA GLN 47 HA GLN 47 -3.161 2.149 -16.463 389 HB2 GLN 47 HB2 GLN 47 -3.225 4.253 -15.134 390 HB3 GLN 47 HB3 GLN 47 -1.903 3.654 -14.142 391 HG2 GLN 47 HG2 GLN 47 -1.153 5.258 -15.905 392 HG3 GLN 47 HG3 GLN 47 -0.404 3.673 -16.120 393 HE21 GLN 47 HE21 GLN 47 -1.050 2.365 -17.993 394 HE22 GLN 47 HE22 GLN 47 -2.036 3.060 -19.257 395 H GLU 48 H GLU 48 -1.385 1.326 -13.411 396 HA GLU 48 HA GLU 48 0.824 0.277 -14.977 397 HB2 GLU 48 HB2 GLU 48 1.753 -0.426 -12.872 398 HB3 GLU 48 HB3 GLU 48 1.263 1.271 -12.869 399 HG2 GLU 48 HG2 GLU 48 -0.659 0.753 -11.465 400 HG3 GLU 48 HG3 GLU 48 -0.358 -1.001 -11.628 401 H LEU 49 H LEU 49 -2.126 -1.118 -13.599 402 HA LEU 49 HA LEU 49 -1.340 -3.848 -13.706 403 HB2 LEU 49 HB2 LEU 49 -3.994 -2.391 -13.812 404 HB3 LEU 49 HB3 LEU 49 -3.970 -4.133 -14.015 405 HG LEU 49 HG LEU 49 -2.687 -2.750 -11.623 406 HD11 LEU 49 HD11 LEU 49 -5.445 -4.019 -11.889 407 HD12 LEU 49 HD12 LEU 49 -5.097 -2.293 -11.639 408 HD13 LEU 49 HD13 LEU 49 -4.703 -3.462 -10.369 409 HD21 LEU 49 HD21 LEU 49 -2.189 -4.764 -10.828 410 HD22 LEU 49 HD22 LEU 49 -2.284 -5.361 -12.455 411 HD23 LEU 49 HD23 LEU 49 -3.652 -5.513 -11.277 412 H ILE 50 H ILE 50 -2.550 -1.625 -16.151 413 HA ILE 50 HA ILE 50 -2.937 -3.610 -18.223 414 HB ILE 50 HB ILE 50 -2.614 -0.566 -18.214 415 HG12 ILE 50 HG12 ILE 50 -5.017 -2.287 -18.950 416 HG13 ILE 50 HG13 ILE 50 -4.662 -1.772 -17.310 417 HG21 ILE 50 HG21 ILE 50 -3.300 -0.525 -20.598 418 HG22 ILE 50 HG22 ILE 50 -1.769 -1.354 -20.408 419 HG23 ILE 50 HG23 ILE 50 -3.241 -2.294 -20.643 420 HD11 ILE 50 HD11 ILE 50 -6.286 -0.280 -18.307 421 HD12 ILE 50 HD12 ILE 50 -4.766 0.600 -18.017 422 HD13 ILE 50 HD13 ILE 50 -5.171 0.030 -19.643 423 H ASP 51 H ASP 51 -0.334 -1.296 -17.304 424 HA ASP 51 HA ASP 51 1.442 -1.824 -19.375 425 HB2 ASP 51 HB2 ASP 51 1.460 -0.258 -17.134 426 HB3 ASP 51 HB3 ASP 51 2.642 -1.468 -16.656 427 H PHE 52 H PHE 52 1.186 -3.513 -16.248 428 HA PHE 52 HA PHE 52 3.326 -5.351 -16.746 429 HB2 PHE 52 HB2 PHE 52 2.609 -4.757 -14.531 430 HB3 PHE 52 HB3 PHE 52 0.952 -5.255 -14.871 431 HD1 PHE 52 HD1 PHE 52 4.425 -6.441 -14.276 432 HD2 PHE 52 HD2 PHE 52 0.351 -7.616 -14.842 433 HE1 PHE 52 HE1 PHE 52 4.933 -8.683 -13.297 434 HE2 PHE 52 HE2 PHE 52 0.843 -9.874 -13.841 435 HZ PHE 52 HZ PHE 52 3.146 -10.388 -13.087 436 H LEU 53 H LEU 53 -0.253 -5.533 -17.141 437 HA LEU 53 HA LEU 53 -0.101 -8.300 -17.868 438 HB2 LEU 53 HB2 LEU 53 -2.215 -6.214 -17.862 439 HB3 LEU 53 HB3 LEU 53 -2.536 -7.753 -18.676 440 HG LEU 53 HG LEU 53 -1.542 -7.679 -15.760 441 HD11 LEU 53 HD11 LEU 53 -4.405 -7.645 -16.800 442 HD12 LEU 53 HD12 LEU 53 -3.604 -6.395 -15.817 443 HD13 LEU 53 HD13 LEU 53 -3.890 -8.040 -15.162 444 HD21 LEU 53 HD21 LEU 53 -3.018 -9.782 -17.424 445 HD22 LEU 53 HD22 LEU 53 -2.574 -9.930 -15.712 446 HD23 LEU 53 HD23 LEU 53 -1.322 -9.849 -16.942 447 H THR 54 H THR 54 -0.204 -5.339 -19.802 448 HA THR 54 HA THR 54 -0.439 -6.820 -22.239 449 HB THR 54 HB THR 54 -1.196 -4.464 -21.677 450 HG1 THR 54 HG1 THR 54 0.164 -4.950 -24.102 451 HG21 THR 54 HG21 THR 54 1.553 -3.618 -22.585 452 HG22 THR 54 HG22 THR 54 0.981 -3.605 -20.906 453 HG23 THR 54 HG23 THR 54 0.157 -2.608 -22.122 454 H GLN 55 H GLN 55 2.352 -5.686 -20.319 455 HA GLN 55 HA GLN 55 4.152 -6.054 -22.579 456 HB2 GLN 55 HB2 GLN 55 5.895 -5.561 -21.041 457 HB3 GLN 55 HB3 GLN 55 4.514 -4.552 -20.600 458 HG2 GLN 55 HG2 GLN 55 4.744 -5.359 -18.493 459 HG3 GLN 55 HG3 GLN 55 4.120 -6.866 -19.063 460 HE21 GLN 55 HE21 GLN 55 5.588 -8.699 -19.269 461 HE22 GLN 55 HE22 GLN 55 7.228 -8.578 -18.719 462 H LEU 56 H LEU 56 2.545 -8.199 -20.525 463 HA LEU 56 HA LEU 56 4.578 -10.290 -20.841 464 HB2 LEU 56 HB2 LEU 56 4.059 -11.033 -18.846 465 HB3 LEU 56 HB3 LEU 56 3.317 -9.469 -18.631 466 HG LEU 56 HG LEU 56 1.118 -10.688 -19.496 467 HD11 LEU 56 HD11 LEU 56 2.348 -12.853 -20.022 468 HD12 LEU 56 HD12 LEU 56 1.049 -13.040 -18.844 469 HD13 LEU 56 HD13 LEU 56 2.748 -12.981 -18.311 470 HD21 LEU 56 HD21 LEU 56 2.315 -11.106 -16.729 471 HD22 LEU 56 HD22 LEU 56 0.600 -11.275 -17.151 472 HD23 LEU 56 HD23 LEU 56 1.402 -9.702 -17.260 473 H GLU 57 H GLU 57 1.307 -9.332 -21.806 474 HA GLU 57 HA GLU 57 0.345 -11.779 -22.837 475 HB2 GLU 57 HB2 GLU 57 -0.827 -9.490 -22.492 476 HB3 GLU 57 HB3 GLU 57 -0.157 -9.039 -24.058 477 HG2 GLU 57 HG2 GLU 57 -1.377 -11.098 -24.996 478 HG3 GLU 57 HG3 GLU 57 -2.153 -11.261 -23.421 479 H SER 58 H SER 58 2.817 -9.672 -24.018 480 HA SER 58 HA SER 58 2.882 -10.398 -26.796 481 HB2 SER 58 HB2 SER 58 4.903 -9.216 -24.872 482 HB3 SER 58 HB3 SER 58 4.942 -9.034 -26.649 483 HG SER 58 HG SER 58 3.945 -7.265 -25.280 484 H GLU 59 H GLU 59 3.939 -11.939 -23.929 485 HA GLU 59 HA GLU 59 6.243 -13.377 -25.032 486 HB2 GLU 59 HB2 GLU 59 5.734 -12.542 -22.534 487 HB3 GLU 59 HB3 GLU 59 4.809 -14.034 -22.439 488 HG2 GLU 59 HG2 GLU 59 6.867 -14.630 -21.556 489 HG3 GLU 59 HG3 GLU 59 7.035 -15.203 -23.212 490 H GLU 60 H GLU 60 5.959 -16.010 -24.305 491 HA GLU 60 HA GLU 60 3.427 -16.926 -25.589 492 HB2 GLU 60 HB2 GLU 60 5.605 -17.076 -26.936 493 HB3 GLU 60 HB3 GLU 60 6.128 -18.288 -25.775 494 HG2 GLU 60 HG2 GLU 60 5.221 -19.393 -27.720 495 HG3 GLU 60 HG3 GLU 60 4.090 -19.660 -26.400 496 H GLU 61 H GLU 61 5.519 -17.144 -22.785 497 HA GLU 61 HA GLU 61 3.633 -19.071 -21.611 498 HB2 GLU 61 HB2 GLU 61 5.510 -20.413 -20.721 499 HB3 GLU 61 HB3 GLU 61 5.228 -20.574 -22.439 500 HG2 GLU 61 HG2 GLU 61 7.459 -18.879 -21.236 501 HG3 GLU 61 HG3 GLU 61 7.622 -20.551 -21.738 502 H SER 62 H SER 62 2.780 -17.744 -20.116 503 HA SER 62 HA SER 62 4.339 -15.783 -18.660 504 HB2 SER 62 HB2 SER 62 2.136 -15.453 -17.487 505 HB3 SER 62 HB3 SER 62 2.068 -15.260 -19.254 506 HG SER 62 HG SER 62 1.603 -17.735 -18.025 Start of MODEL 13 1 H1 MET 1 H MET 1 4.570 -0.184 -0.791 2 HA MET 1 HA MET 1 1.767 0.462 -1.464 3 HB2 MET 1 HB2 MET 1 3.077 2.389 -1.957 4 HB3 MET 1 HB3 MET 1 4.387 1.435 -2.651 5 HG2 MET 1 HG2 MET 1 2.988 0.801 -4.550 6 HG3 MET 1 HG3 MET 1 1.607 1.664 -3.860 7 HE1 MET 1 HE1 MET 1 1.393 2.581 -6.316 8 HE2 MET 1 HE2 MET 1 2.602 3.592 -7.129 9 HE3 MET 1 HE3 MET 1 2.922 1.863 -6.865 10 H LYS 2 H LYS 2 0.775 -1.245 -2.401 11 HA LYS 2 HA LYS 2 2.253 -3.536 -3.442 12 HB2 LYS 2 HB2 LYS 2 -0.679 -2.730 -3.693 13 HB3 LYS 2 HB3 LYS 2 -0.001 -4.286 -4.135 14 HG2 LYS 2 HG2 LYS 2 -0.547 -4.955 -2.030 15 HG3 LYS 2 HG3 LYS 2 0.833 -4.017 -1.484 16 HD2 LYS 2 HD2 LYS 2 -1.013 -3.395 -0.136 17 HD3 LYS 2 HD3 LYS 2 -0.819 -2.057 -1.285 18 HE2 LYS 2 HE2 LYS 2 -2.940 -2.298 -1.955 19 HE3 LYS 2 HE3 LYS 2 -2.556 -3.898 -2.562 20 HZ1 LYS 2 HZ1 LYS 2 -3.169 -4.853 -0.492 21 HZ2 LYS 2 HZ2 LYS 2 -4.388 -3.952 -1.056 22 HZ3 LYS 2 HZ3 LYS 2 -3.478 -3.370 0.193 23 H ASN 3 H ASN 3 2.108 -4.269 -5.625 24 HA ASN 3 HA ASN 3 2.355 -2.158 -7.718 25 HB2 ASN 3 HB2 ASN 3 4.008 -3.730 -8.727 26 HB3 ASN 3 HB3 ASN 3 4.513 -3.100 -7.177 27 HD21 ASN 3 HD21 ASN 3 3.964 -6.033 -8.910 28 HD22 ASN 3 HD22 ASN 3 3.816 -7.057 -7.465 29 H ALA 4 H ALA 4 1.989 -3.073 -9.922 30 HA ALA 4 HA ALA 4 -0.531 -4.045 -10.347 31 HB1 ALA 4 HB1 ALA 4 0.292 -4.685 -12.645 32 HB2 ALA 4 HB2 ALA 4 0.673 -3.042 -12.141 33 HB3 ALA 4 HB3 ALA 4 1.933 -4.301 -12.110 34 H ALA 5 H ALA 5 2.395 -6.160 -10.463 35 HA ALA 5 HA ALA 5 0.969 -8.572 -10.899 36 HB1 ALA 5 HB1 ALA 5 2.896 -9.778 -10.110 37 HB2 ALA 5 HB2 ALA 5 3.482 -8.379 -11.061 38 HB3 ALA 5 HB3 ALA 5 3.517 -8.368 -9.273 39 H LYS 6 H LYS 6 1.549 -6.767 -7.899 40 HA LYS 6 HA LYS 6 1.079 -8.846 -6.051 41 HB2 LYS 6 HB2 LYS 6 1.835 -6.250 -5.986 42 HB3 LYS 6 HB3 LYS 6 0.188 -6.037 -5.460 43 HG2 LYS 6 HG2 LYS 6 2.079 -8.029 -4.130 44 HG3 LYS 6 HG3 LYS 6 2.132 -6.307 -3.772 45 HD2 LYS 6 HD2 LYS 6 0.743 -6.892 -2.122 46 HD3 LYS 6 HD3 LYS 6 -0.485 -6.611 -3.378 47 HE2 LYS 6 HE2 LYS 6 -0.689 -8.963 -3.804 48 HE3 LYS 6 HE3 LYS 6 0.689 -9.323 -2.741 49 HZ1 LYS 6 HZ1 LYS 6 -0.636 -8.338 -0.888 50 HZ2 LYS 6 HZ2 LYS 6 -1.373 -9.649 -1.539 51 HZ3 LYS 6 HZ3 LYS 6 -1.905 -8.155 -1.887 52 H ILE 7 H ILE 7 -1.195 -6.397 -7.430 53 HA ILE 7 HA ILE 7 -3.482 -7.602 -6.206 54 HB ILE 7 HB ILE 7 -3.791 -6.009 -8.733 55 HG12 ILE 7 HG12 ILE 7 -3.897 -4.064 -6.733 56 HG13 ILE 7 HG13 ILE 7 -2.465 -4.956 -6.268 57 HG21 ILE 7 HG21 ILE 7 -5.342 -6.024 -6.117 58 HG22 ILE 7 HG22 ILE 7 -5.750 -5.105 -7.577 59 HG23 ILE 7 HG23 ILE 7 -5.800 -6.881 -7.596 60 HD11 ILE 7 HD11 ILE 7 -1.929 -3.117 -7.810 61 HD12 ILE 7 HD12 ILE 7 -1.652 -4.674 -8.621 62 HD13 ILE 7 HD13 ILE 7 -3.122 -3.722 -8.973 63 H VAL 8 H VAL 8 -1.810 -8.233 -9.282 64 HA VAL 8 HA VAL 8 -3.865 -9.834 -10.483 65 HB VAL 8 HB VAL 8 -0.844 -9.925 -10.747 66 HG11 VAL 8 HG11 VAL 8 -1.243 -11.135 -12.909 67 HG12 VAL 8 HG12 VAL 8 -1.677 -12.093 -11.491 68 HG13 VAL 8 HG13 VAL 8 -2.947 -11.317 -12.456 69 HG21 VAL 8 HG21 VAL 8 -2.803 -8.877 -12.824 70 HG22 VAL 8 HG22 VAL 8 -2.173 -7.821 -11.554 71 HG23 VAL 8 HG23 VAL 8 -1.072 -8.585 -12.700 72 H ASN 9 H ASN 9 -1.079 -10.745 -8.414 73 HA ASN 9 HA ASN 9 -1.662 -13.505 -8.249 74 HB2 ASN 9 HB2 ASN 9 0.175 -13.502 -7.025 75 HB3 ASN 9 HB3 ASN 9 0.187 -11.732 -7.015 76 HD21 ASN 9 HD21 ASN 9 -0.663 -10.657 -5.238 77 HD22 ASN 9 HD22 ASN 9 -0.856 -11.468 -3.657 78 H GLU 10 H GLU 10 -3.055 -10.806 -6.390 79 HA GLU 10 HA GLU 10 -4.506 -12.493 -4.592 80 HB2 GLU 10 HB2 GLU 10 -4.984 -9.582 -5.428 81 HB3 GLU 10 HB3 GLU 10 -5.836 -10.430 -4.116 82 HG2 GLU 10 HG2 GLU 10 -3.564 -11.080 -3.207 83 HG3 GLU 10 HG3 GLU 10 -2.833 -9.984 -4.353 84 H ALA 11 H ALA 11 -5.316 -11.027 -7.735 85 HA ALA 11 HA ALA 11 -8.044 -11.838 -7.757 86 HB1 ALA 11 HB1 ALA 11 -6.129 -11.569 -10.124 87 HB2 ALA 11 HB2 ALA 11 -7.894 -11.528 -10.182 88 HB3 ALA 11 HB3 ALA 11 -7.016 -10.230 -9.353 89 H LEU 12 H LEU 12 -5.068 -13.500 -8.972 90 HA LEU 12 HA LEU 12 -6.358 -15.874 -9.804 91 HB2 LEU 12 HB2 LEU 12 -3.646 -15.873 -8.557 92 HB3 LEU 12 HB3 LEU 12 -4.265 -16.967 -9.777 93 HG LEU 12 HG LEU 12 -3.316 -14.109 -10.118 94 HD11 LEU 12 HD11 LEU 12 -1.653 -15.916 -10.048 95 HD12 LEU 12 HD12 LEU 12 -1.689 -15.079 -11.612 96 HD13 LEU 12 HD13 LEU 12 -2.432 -16.683 -11.440 97 HD21 LEU 12 HD21 LEU 12 -3.801 -14.160 -12.483 98 HD22 LEU 12 HD22 LEU 12 -5.295 -14.266 -11.545 99 HD23 LEU 12 HD23 LEU 12 -4.611 -15.721 -12.313 100 H ASN 13 H ASN 13 -5.158 -15.027 -6.559 101 HA ASN 13 HA ASN 13 -5.703 -17.555 -5.323 102 HB2 ASN 13 HB2 ASN 13 -5.459 -14.733 -4.217 103 HB3 ASN 13 HB3 ASN 13 -6.036 -16.042 -3.204 104 HD21 ASN 13 HD21 ASN 13 -3.196 -15.036 -5.184 105 HD22 ASN 13 HD22 ASN 13 -2.089 -16.095 -4.356 106 H GLN 14 H GLN 14 -7.774 -14.676 -5.819 107 HA GLN 14 HA GLN 14 -10.047 -15.941 -4.496 108 HB2 GLN 14 HB2 GLN 14 -9.508 -13.258 -5.736 109 HB3 GLN 14 HB3 GLN 14 -11.182 -13.793 -5.559 110 HG2 GLN 14 HG2 GLN 14 -10.678 -12.530 -3.635 111 HG3 GLN 14 HG3 GLN 14 -10.842 -14.212 -3.153 112 HE21 GLN 14 HE21 GLN 14 -8.538 -11.571 -3.725 113 HE22 GLN 14 HE22 GLN 14 -7.279 -12.221 -2.711 114 H GLY 15 H GLY 15 -8.715 -16.998 -7.152 115 HA2 GLY 15 HA2 GLY 15 -9.445 -18.273 -8.865 116 HA3 GLY 15 HA3 GLY 15 -11.095 -18.161 -8.233 117 H ILE 16 H ILE 16 -8.882 -15.545 -9.373 118 HA ILE 16 HA ILE 16 -10.740 -15.010 -11.636 119 HB ILE 16 HB ILE 16 -9.499 -13.082 -9.627 120 HG12 ILE 16 HG12 ILE 16 -12.469 -13.150 -10.032 121 HG13 ILE 16 HG13 ILE 16 -11.786 -14.487 -9.147 122 HG21 ILE 16 HG21 ILE 16 -9.541 -11.890 -11.754 123 HG22 ILE 16 HG22 ILE 16 -11.296 -12.208 -11.876 124 HG23 ILE 16 HG23 ILE 16 -10.636 -11.239 -10.551 125 HD11 ILE 16 HD11 ILE 16 -12.309 -12.987 -7.484 126 HD12 ILE 16 HD12 ILE 16 -10.566 -12.746 -7.694 127 HD13 ILE 16 HD13 ILE 16 -11.735 -11.603 -8.424 128 H THR 17 H THR 17 -9.610 -13.575 -13.324 129 HA THR 17 HA THR 17 -6.710 -14.114 -13.586 130 HB THR 17 HB THR 17 -8.950 -14.565 -15.620 131 HG1 THR 17 HG1 THR 17 -6.918 -16.390 -14.891 132 HG21 THR 17 HG21 THR 17 -7.162 -13.458 -16.783 133 HG22 THR 17 HG22 THR 17 -7.122 -15.177 -17.220 134 HG23 THR 17 HG23 THR 17 -5.938 -14.518 -16.060 135 H LEU 18 H LEU 18 -5.754 -12.080 -13.978 136 HA LEU 18 HA LEU 18 -7.599 -9.879 -14.789 137 HB2 LEU 18 HB2 LEU 18 -4.907 -9.912 -13.406 138 HB3 LEU 18 HB3 LEU 18 -5.520 -8.484 -14.319 139 HG LEU 18 HG LEU 18 -6.991 -9.789 -12.018 140 HD11 LEU 18 HD11 LEU 18 -5.850 -7.047 -11.685 141 HD12 LEU 18 HD12 LEU 18 -4.682 -8.352 -11.705 142 HD13 LEU 18 HD13 LEU 18 -5.995 -8.398 -10.535 143 HD21 LEU 18 HD21 LEU 18 -8.186 -7.493 -12.083 144 HD22 LEU 18 HD22 LEU 18 -8.552 -8.594 -13.399 145 HD23 LEU 18 HD23 LEU 18 -7.425 -7.240 -13.636 146 H PHE 19 H PHE 19 -7.538 -9.285 -16.845 147 HA PHE 19 HA PHE 19 -5.111 -9.707 -18.450 148 HB2 PHE 19 HB2 PHE 19 -6.032 -10.951 -20.121 149 HB3 PHE 19 HB3 PHE 19 -6.732 -11.782 -18.718 150 HD1 PHE 19 HD1 PHE 19 -7.352 -9.822 -21.746 151 HD2 PHE 19 HD2 PHE 19 -9.192 -11.241 -18.115 152 HE1 PHE 19 HE1 PHE 19 -9.546 -9.215 -22.634 153 HE2 PHE 19 HE2 PHE 19 -11.411 -10.541 -18.982 154 HZ PHE 19 HZ PHE 19 -11.599 -9.536 -21.261 155 H VAL 20 H VAL 20 -5.143 -8.018 -20.118 156 HA VAL 20 HA VAL 20 -7.197 -5.917 -19.570 157 HB VAL 20 HB VAL 20 -4.697 -6.151 -20.971 158 HG11 VAL 20 HG11 VAL 20 -6.151 -4.357 -22.054 159 HG12 VAL 20 HG12 VAL 20 -5.816 -3.416 -20.592 160 HG13 VAL 20 HG13 VAL 20 -4.496 -3.951 -21.665 161 HG21 VAL 20 HG21 VAL 20 -3.440 -5.064 -19.452 162 HG22 VAL 20 HG22 VAL 20 -4.861 -4.474 -18.545 163 HG23 VAL 20 HG23 VAL 20 -4.406 -6.186 -18.539 164 H SER 21 H SER 21 -8.709 -5.401 -21.041 165 HA SER 21 HA SER 21 -8.759 -6.819 -23.669 166 HB2 SER 21 HB2 SER 21 -10.539 -7.299 -21.722 167 HB3 SER 21 HB3 SER 21 -11.165 -5.737 -22.263 168 HG SER 21 HG SER 21 -10.771 -7.994 -23.965 169 H ASP 22 H ASP 22 -8.516 -5.392 -25.248 170 HA ASP 22 HA ASP 22 -8.282 -3.503 -26.412 171 HB2 ASP 22 HB2 ASP 22 -10.826 -3.889 -26.223 172 HB3 ASP 22 HB3 ASP 22 -10.835 -2.458 -25.211 173 H ASN 23 H ASN 23 -6.633 -3.360 -24.471 174 HA ASN 23 HA ASN 23 -5.262 -1.859 -23.180 175 HB2 ASN 23 HB2 ASN 23 -6.626 0.019 -25.161 176 HB3 ASN 23 HB3 ASN 23 -5.629 0.654 -23.879 177 HD21 ASN 23 HD21 ASN 23 -4.868 -2.414 -25.727 178 HD22 ASN 23 HD22 ASN 23 -3.410 -1.715 -26.345 179 H LYS 24 H LYS 24 -7.645 -2.786 -21.960 180 HA LYS 24 HA LYS 24 -8.017 -0.631 -19.997 181 HB2 LYS 24 HB2 LYS 24 -9.960 -0.681 -21.717 182 HB3 LYS 24 HB3 LYS 24 -10.354 -2.270 -21.062 183 HG2 LYS 24 HG2 LYS 24 -11.748 -0.547 -20.055 184 HG3 LYS 24 HG3 LYS 24 -10.762 -1.366 -18.849 185 HD2 LYS 24 HD2 LYS 24 -10.950 1.107 -18.519 186 HD3 LYS 24 HD3 LYS 24 -9.301 0.519 -18.609 187 HE2 LYS 24 HE2 LYS 24 -9.461 2.584 -19.884 188 HE3 LYS 24 HE3 LYS 24 -9.143 1.243 -20.981 189 HZ1 LYS 24 HZ1 LYS 24 -10.796 2.536 -21.974 190 HZ2 LYS 24 HZ2 LYS 24 -11.684 2.678 -20.589 191 HZ3 LYS 24 HZ3 LYS 24 -11.633 1.265 -21.403 192 H LEU 25 H LEU 25 -7.544 -1.508 -18.074 193 HA LEU 25 HA LEU 25 -6.725 -4.182 -17.648 194 HB2 LEU 25 HB2 LEU 25 -6.157 -2.280 -16.191 195 HB3 LEU 25 HB3 LEU 25 -7.823 -2.090 -15.718 196 HG LEU 25 HG LEU 25 -6.085 -3.291 -14.252 197 HD11 LEU 25 HD11 LEU 25 -7.715 -4.608 -13.111 198 HD12 LEU 25 HD12 LEU 25 -8.821 -4.533 -14.492 199 HD13 LEU 25 HD13 LEU 25 -8.368 -3.040 -13.627 200 HD21 LEU 25 HD21 LEU 25 -5.359 -4.924 -15.956 201 HD22 LEU 25 HD22 LEU 25 -6.894 -5.798 -15.700 202 HD23 LEU 25 HD23 LEU 25 -5.762 -5.601 -14.364 203 H LYS 26 H LYS 26 -7.876 -5.935 -17.882 204 HA LYS 26 HA LYS 26 -10.760 -5.712 -16.983 205 HB2 LYS 26 HB2 LYS 26 -9.830 -6.499 -19.550 206 HB3 LYS 26 HB3 LYS 26 -10.371 -7.954 -18.746 207 HG2 LYS 26 HG2 LYS 26 -12.267 -7.120 -19.867 208 HG3 LYS 26 HG3 LYS 26 -12.532 -6.725 -18.158 209 HD2 LYS 26 HD2 LYS 26 -11.617 -4.410 -18.623 210 HD3 LYS 26 HD3 LYS 26 -11.442 -4.875 -20.325 211 HE2 LYS 26 HE2 LYS 26 -13.873 -5.287 -20.469 212 HE3 LYS 26 HE3 LYS 26 -14.051 -4.903 -18.740 213 HZ1 LYS 26 HZ1 LYS 26 -13.377 -2.665 -19.195 214 HZ2 LYS 26 HZ2 LYS 26 -14.625 -3.044 -20.185 215 HZ3 LYS 26 HZ3 LYS 26 -13.104 -3.023 -20.801 216 H TYR 27 H TYR 27 -11.728 -7.856 -16.385 217 HA TYR 27 HA TYR 27 -9.833 -9.647 -15.031 218 HB2 TYR 27 HB2 TYR 27 -10.796 -9.473 -12.931 219 HB3 TYR 27 HB3 TYR 27 -10.816 -7.821 -13.481 220 HD1 TYR 27 HD1 TYR 27 -12.930 -6.662 -13.757 221 HD2 TYR 27 HD2 TYR 27 -12.877 -10.873 -12.904 222 HE1 TYR 27 HE1 TYR 27 -15.322 -6.573 -13.371 223 HE2 TYR 27 HE2 TYR 27 -15.317 -10.809 -12.501 224 HH TYR 27 HH TYR 27 -17.253 -7.855 -12.441 225 H LYS 28 H LYS 28 -10.659 -11.750 -14.799 226 HA LYS 28 HA LYS 28 -13.168 -12.485 -16.187 227 HB2 LYS 28 HB2 LYS 28 -10.401 -12.860 -17.102 228 HB3 LYS 28 HB3 LYS 28 -11.065 -14.418 -16.699 229 HG2 LYS 28 HG2 LYS 28 -12.717 -12.516 -18.366 230 HG3 LYS 28 HG3 LYS 28 -11.329 -13.328 -19.098 231 HD2 LYS 28 HD2 LYS 28 -13.486 -14.902 -17.640 232 HD3 LYS 28 HD3 LYS 28 -13.602 -14.499 -19.366 233 HE2 LYS 28 HE2 LYS 28 -11.484 -15.567 -19.849 234 HE3 LYS 28 HE3 LYS 28 -11.172 -15.882 -18.148 235 HZ1 LYS 28 HZ1 LYS 28 -13.447 -17.089 -19.621 236 HZ2 LYS 28 HZ2 LYS 28 -12.974 -17.413 -18.087 237 HZ3 LYS 28 HZ3 LYS 28 -11.996 -17.829 -19.331 238 H THR 29 H THR 29 -14.072 -14.379 -15.230 239 HA THR 29 HA THR 29 -12.717 -16.117 -13.502 240 HB THR 29 HB THR 29 -12.663 -14.256 -11.921 241 HG1 THR 29 HG1 THR 29 -13.002 -16.040 -10.807 242 HG21 THR 29 HG21 THR 29 -15.641 -13.978 -12.399 243 HG22 THR 29 HG22 THR 29 -14.365 -12.801 -12.745 244 HG23 THR 29 HG23 THR 29 -14.753 -13.212 -11.067 245 H ASN 30 H ASN 30 -14.711 -17.219 -12.215 246 HA ASN 30 HA ASN 30 -16.940 -17.609 -14.174 247 HB2 ASN 30 HB2 ASN 30 -15.944 -19.727 -12.250 248 HB3 ASN 30 HB3 ASN 30 -17.008 -19.911 -13.638 249 HD21 ASN 30 HD21 ASN 30 -13.800 -20.154 -12.519 250 HD22 ASN 30 HD22 ASN 30 -13.004 -20.262 -14.056 251 H ARG 31 H ARG 31 -16.079 -16.416 -11.064 252 HA ARG 31 HA ARG 31 -18.790 -16.974 -9.993 253 HB2 ARG 31 HB2 ARG 31 -17.889 -16.674 -7.811 254 HB3 ARG 31 HB3 ARG 31 -16.899 -17.849 -8.669 255 HG2 ARG 31 HG2 ARG 31 -15.528 -15.482 -9.158 256 HG3 ARG 31 HG3 ARG 31 -16.238 -15.157 -7.579 257 HD2 ARG 31 HD2 ARG 31 -14.513 -17.559 -8.330 258 HD3 ARG 31 HD3 ARG 31 -13.992 -16.129 -7.445 259 HE ARG 31 HE ARG 31 -16.142 -17.986 -6.447 260 HH11 ARG 31 HH11 ARG 31 -13.057 -16.348 -5.822 261 HH12 ARG 31 HH12 ARG 31 -12.962 -16.927 -4.208 262 HH21 ARG 31 HH21 ARG 31 -15.909 -18.804 -4.346 263 HH22 ARG 31 HH22 ARG 31 -14.694 -18.177 -3.277 264 H ASP 32 H ASP 32 -19.899 -15.241 -9.065 265 HA ASP 32 HA ASP 32 -19.115 -12.538 -10.094 266 HB2 ASP 32 HB2 ASP 32 -21.625 -12.128 -10.074 267 HB3 ASP 32 HB3 ASP 32 -21.082 -13.360 -11.209 268 H SER 33 H SER 33 -19.286 -14.234 -7.225 269 HA SER 33 HA SER 33 -20.152 -11.890 -5.634 270 HB2 SER 33 HB2 SER 33 -20.561 -14.637 -5.399 271 HB3 SER 33 HB3 SER 33 -19.362 -14.314 -4.150 272 HG SER 33 HG SER 33 -21.337 -13.954 -3.264 273 H ILE 34 H ILE 34 -17.609 -11.757 -7.113 274 HA ILE 34 HA ILE 34 -15.409 -12.236 -5.352 275 HB ILE 34 HB ILE 34 -14.078 -10.951 -6.944 276 HG12 ILE 34 HG12 ILE 34 -15.461 -10.156 -9.071 277 HG13 ILE 34 HG13 ILE 34 -16.713 -9.862 -7.879 278 HG21 ILE 34 HG21 ILE 34 -16.114 -12.633 -8.461 279 HG22 ILE 34 HG22 ILE 34 -14.445 -12.282 -8.913 280 HG23 ILE 34 HG23 ILE 34 -14.767 -13.279 -7.486 281 HD11 ILE 34 HD11 ILE 34 -15.332 -8.246 -6.695 282 HD12 ILE 34 HD12 ILE 34 -13.862 -8.783 -7.542 283 HD13 ILE 34 HD13 ILE 34 -15.120 -7.913 -8.419 284 HA PRO 35 HA PRO 35 -15.635 -8.802 -2.628 285 HB2 PRO 35 HB2 PRO 35 -13.065 -8.279 -1.990 286 HB3 PRO 35 HB3 PRO 35 -13.832 -9.835 -1.581 287 HG2 PRO 35 HG2 PRO 35 -12.118 -9.253 -3.974 288 HG3 PRO 35 HG3 PRO 35 -11.911 -10.566 -2.763 289 HD2 PRO 35 HD2 PRO 35 -13.200 -11.006 -5.086 290 HD3 PRO 35 HD3 PRO 35 -13.832 -11.699 -3.569 291 H SER 36 H SER 36 -15.934 -6.666 -2.750 292 HA SER 36 HA SER 36 -15.528 -5.130 -5.086 293 HB2 SER 36 HB2 SER 36 -16.118 -4.463 -2.174 294 HB3 SER 36 HB3 SER 36 -15.828 -3.179 -3.354 295 HG SER 36 HG SER 36 -17.802 -5.222 -3.511 296 H GLU 37 H GLU 37 -13.334 -5.734 -2.423 297 HA GLU 37 HA GLU 37 -11.674 -3.454 -2.626 298 HB2 GLU 37 HB2 GLU 37 -10.113 -4.687 -1.343 299 HB3 GLU 37 HB3 GLU 37 -11.726 -5.270 -0.875 300 HG2 GLU 37 HG2 GLU 37 -11.309 -7.180 -2.579 301 HG3 GLU 37 HG3 GLU 37 -9.644 -6.625 -2.622 302 H LEU 38 H LEU 38 -11.862 -6.390 -4.651 303 HA LEU 38 HA LEU 38 -9.409 -5.865 -6.117 304 HB2 LEU 38 HB2 LEU 38 -11.806 -7.703 -6.282 305 HB3 LEU 38 HB3 LEU 38 -10.985 -7.385 -7.773 306 HG LEU 38 HG LEU 38 -8.962 -8.390 -7.054 307 HD11 LEU 38 HD11 LEU 38 -8.740 -7.594 -4.719 308 HD12 LEU 38 HD12 LEU 38 -8.576 -9.353 -4.829 309 HD13 LEU 38 HD13 LEU 38 -10.083 -8.640 -4.224 310 HD21 LEU 38 HD21 LEU 38 -11.233 -10.048 -5.887 311 HD22 LEU 38 HD22 LEU 38 -9.696 -10.651 -6.541 312 HD23 LEU 38 HD23 LEU 38 -10.879 -9.866 -7.605 313 H LEU 39 H LEU 39 -12.924 -5.253 -6.735 314 HA LEU 39 HA LEU 39 -12.580 -3.993 -9.259 315 HB2 LEU 39 HB2 LEU 39 -14.628 -3.398 -7.089 316 HB3 LEU 39 HB3 LEU 39 -14.748 -2.810 -8.739 317 HG LEU 39 HG LEU 39 -14.730 -5.755 -8.008 318 HD11 LEU 39 HD11 LEU 39 -17.174 -5.638 -8.308 319 HD12 LEU 39 HD12 LEU 39 -17.065 -3.884 -8.601 320 HD13 LEU 39 HD13 LEU 39 -16.644 -4.559 -7.012 321 HD21 LEU 39 HD21 LEU 39 -14.047 -5.246 -10.363 322 HD22 LEU 39 HD22 LEU 39 -15.544 -4.311 -10.583 323 HD23 LEU 39 HD23 LEU 39 -15.605 -6.065 -10.298 324 H GLU 40 H GLU 40 -12.060 -2.823 -6.045 325 HA GLU 40 HA GLU 40 -11.961 0.014 -6.778 326 HB2 GLU 40 HB2 GLU 40 -11.494 -1.601 -4.245 327 HB3 GLU 40 HB3 GLU 40 -11.192 0.133 -4.311 328 HG2 GLU 40 HG2 GLU 40 -13.871 -0.988 -5.253 329 HG3 GLU 40 HG3 GLU 40 -13.554 -0.736 -3.555 330 H GLU 41 H GLU 41 -9.543 -2.437 -5.600 331 HA GLU 41 HA GLU 41 -7.384 -0.703 -6.020 332 HB2 GLU 41 HB2 GLU 41 -7.559 -2.893 -4.613 333 HB3 GLU 41 HB3 GLU 41 -7.014 -3.703 -6.114 334 HG2 GLU 41 HG2 GLU 41 -5.084 -2.301 -6.221 335 HG3 GLU 41 HG3 GLU 41 -5.637 -1.285 -4.881 336 H TRP 42 H TRP 42 -8.903 -3.063 -8.215 337 HA TRP 42 HA TRP 42 -6.971 -3.033 -10.265 338 HB2 TRP 42 HB2 TRP 42 -9.994 -3.330 -10.339 339 HB3 TRP 42 HB3 TRP 42 -8.951 -3.551 -11.700 340 HD1 TRP 42 HD1 TRP 42 -6.784 -5.168 -9.565 341 HE1 TRP 42 HE1 TRP 42 -7.276 -7.616 -9.081 342 HE3 TRP 42 HE3 TRP 42 -11.663 -5.287 -11.048 343 HZ2 TRP 42 HZ2 TRP 42 -9.475 -9.470 -9.482 344 HZ3 TRP 42 HZ3 TRP 42 -12.986 -7.388 -10.849 345 HH2 TRP 42 HH2 TRP 42 -11.900 -9.475 -10.122 346 H LYS 43 H LYS 43 -9.474 -0.762 -9.509 347 HA LYS 43 HA LYS 43 -9.134 0.794 -12.014 348 HB2 LYS 43 HB2 LYS 43 -11.329 0.839 -11.342 349 HB3 LYS 43 HB3 LYS 43 -10.981 0.748 -9.635 350 HG2 LYS 43 HG2 LYS 43 -10.322 3.281 -11.138 351 HG3 LYS 43 HG3 LYS 43 -12.002 2.929 -10.726 352 HD2 LYS 43 HD2 LYS 43 -9.746 3.183 -8.708 353 HD3 LYS 43 HD3 LYS 43 -10.947 4.407 -9.049 354 HE2 LYS 43 HE2 LYS 43 -12.739 3.090 -8.181 355 HE3 LYS 43 HE3 LYS 43 -11.735 1.645 -8.064 356 HZ1 LYS 43 HZ1 LYS 43 -12.136 2.839 -5.950 357 HZ2 LYS 43 HZ2 LYS 43 -11.143 4.052 -6.447 358 HZ3 LYS 43 HZ3 LYS 43 -10.565 2.541 -6.249 359 H GLN 44 H GLN 44 -8.065 0.802 -8.710 360 HA GLN 44 HA GLN 44 -7.006 3.526 -8.690 361 HB2 GLN 44 HB2 GLN 44 -6.609 1.091 -6.938 362 HB3 GLN 44 HB3 GLN 44 -5.669 2.556 -6.660 363 HG2 GLN 44 HG2 GLN 44 -7.510 3.832 -6.072 364 HG3 GLN 44 HG3 GLN 44 -8.655 2.799 -6.905 365 HE21 GLN 44 HE21 GLN 44 -6.200 1.583 -4.618 366 HE22 GLN 44 HE22 GLN 44 -7.359 1.028 -3.432 367 H HIS 45 H HIS 45 -5.736 0.363 -9.537 368 HA HIS 45 HA HIS 45 -3.176 1.627 -10.341 369 HB2 HIS 45 HB2 HIS 45 -3.809 -1.180 -9.374 370 HB3 HIS 45 HB3 HIS 45 -2.224 -0.616 -9.859 371 HD1 HIS 45 HD1 HIS 45 -1.018 1.197 -8.325 372 HD2 HIS 45 HD2 HIS 45 -4.688 -0.309 -6.935 373 HE1 HIS 45 HE1 HIS 45 -1.122 1.711 -5.817 374 H LYS 46 H LYS 46 -5.706 1.437 -11.905 375 HA LYS 46 HA LYS 46 -5.669 -0.673 -13.743 376 HB2 LYS 46 HB2 LYS 46 -7.087 0.746 -15.191 377 HB3 LYS 46 HB3 LYS 46 -7.605 0.702 -13.523 378 HG2 LYS 46 HG2 LYS 46 -7.888 2.926 -13.798 379 HG3 LYS 46 HG3 LYS 46 -6.216 2.953 -13.316 380 HD2 LYS 46 HD2 LYS 46 -6.170 4.321 -15.125 381 HD3 LYS 46 HD3 LYS 46 -5.635 2.805 -15.846 382 HE2 LYS 46 HE2 LYS 46 -7.861 2.430 -16.822 383 HE3 LYS 46 HE3 LYS 46 -8.454 3.896 -16.040 384 HZ1 LYS 46 HZ1 LYS 46 -7.868 4.343 -18.361 385 HZ2 LYS 46 HZ2 LYS 46 -6.351 3.807 -18.159 386 HZ3 LYS 46 HZ3 LYS 46 -6.856 5.172 -17.387 387 H GLN 47 H GLN 47 -3.801 2.354 -13.847 388 HA GLN 47 HA GLN 47 -3.034 2.032 -16.531 389 HB2 GLN 47 HB2 GLN 47 -3.069 4.155 -15.145 390 HB3 GLN 47 HB3 GLN 47 -1.659 3.560 -14.276 391 HG2 GLN 47 HG2 GLN 47 -1.013 5.149 -16.045 392 HG3 GLN 47 HG3 GLN 47 -0.363 3.544 -16.375 393 HE21 GLN 47 HE21 GLN 47 -1.064 2.451 -18.175 394 HE22 GLN 47 HE22 GLN 47 -2.177 3.076 -19.387 395 H GLU 48 H GLU 48 -1.292 1.391 -13.475 396 HA GLU 48 HA GLU 48 0.982 0.211 -14.792 397 HB2 GLU 48 HB2 GLU 48 1.646 -0.463 -12.514 398 HB3 GLU 48 HB3 GLU 48 1.376 1.250 -12.710 399 HG2 GLU 48 HG2 GLU 48 -0.817 -0.502 -11.602 400 HG3 GLU 48 HG3 GLU 48 0.532 -0.029 -10.590 401 H LEU 49 H LEU 49 -2.052 -1.100 -13.555 402 HA LEU 49 HA LEU 49 -1.303 -3.864 -13.724 403 HB2 LEU 49 HB2 LEU 49 -3.931 -2.367 -13.758 404 HB3 LEU 49 HB3 LEU 49 -3.948 -4.066 -14.109 405 HG LEU 49 HG LEU 49 -2.661 -3.050 -11.563 406 HD11 LEU 49 HD11 LEU 49 -5.052 -2.383 -11.643 407 HD12 LEU 49 HD12 LEU 49 -4.771 -3.657 -10.449 408 HD13 LEU 49 HD13 LEU 49 -5.511 -4.059 -12.015 409 HD21 LEU 49 HD21 LEU 49 -3.745 -5.779 -12.438 410 HD22 LEU 49 HD22 LEU 49 -3.041 -5.398 -10.858 411 HD23 LEU 49 HD23 LEU 49 -2.036 -5.354 -12.300 412 H ILE 50 H ILE 50 -2.509 -1.534 -16.098 413 HA ILE 50 HA ILE 50 -2.879 -3.563 -18.140 414 HB ILE 50 HB ILE 50 -2.608 -0.526 -18.474 415 HG12 ILE 50 HG12 ILE 50 -5.053 -2.246 -18.993 416 HG13 ILE 50 HG13 ILE 50 -4.680 -1.670 -17.408 417 HG21 ILE 50 HG21 ILE 50 -3.450 -0.941 -20.819 418 HG22 ILE 50 HG22 ILE 50 -1.836 -1.594 -20.537 419 HG23 ILE 50 HG23 ILE 50 -3.215 -2.675 -20.533 420 HD11 ILE 50 HD11 ILE 50 -6.241 -0.132 -18.410 421 HD12 ILE 50 HD12 ILE 50 -4.679 0.692 -18.256 422 HD13 ILE 50 HD13 ILE 50 -5.216 0.043 -19.840 423 H ASP 51 H ASP 51 -0.325 -1.147 -17.384 424 HA ASP 51 HA ASP 51 1.394 -1.755 -19.488 425 HB2 ASP 51 HB2 ASP 51 1.441 0.089 -17.681 426 HB3 ASP 51 HB3 ASP 51 2.365 -1.051 -16.706 427 H PHE 52 H PHE 52 1.142 -3.362 -16.307 428 HA PHE 52 HA PHE 52 3.355 -5.157 -16.773 429 HB2 PHE 52 HB2 PHE 52 2.722 -4.570 -14.521 430 HB3 PHE 52 HB3 PHE 52 1.034 -4.999 -14.818 431 HD1 PHE 52 HD1 PHE 52 4.486 -6.499 -14.812 432 HD2 PHE 52 HD2 PHE 52 0.284 -7.199 -14.258 433 HE1 PHE 52 HE1 PHE 52 4.986 -8.776 -13.957 434 HE2 PHE 52 HE2 PHE 52 0.793 -9.536 -13.491 435 HZ PHE 52 HZ PHE 52 3.135 -10.295 -13.325 436 H LEU 53 H LEU 53 -0.201 -5.383 -17.215 437 HA LEU 53 HA LEU 53 -0.034 -8.239 -17.725 438 HB2 LEU 53 HB2 LEU 53 -2.176 -6.180 -17.901 439 HB3 LEU 53 HB3 LEU 53 -2.461 -7.827 -18.509 440 HG LEU 53 HG LEU 53 -1.479 -7.251 -15.672 441 HD11 LEU 53 HD11 LEU 53 -4.345 -7.790 -16.504 442 HD12 LEU 53 HD12 LEU 53 -3.664 -6.189 -16.110 443 HD13 LEU 53 HD13 LEU 53 -3.695 -7.440 -14.871 444 HD21 LEU 53 HD21 LEU 53 -2.451 -9.553 -15.239 445 HD22 LEU 53 HD22 LEU 53 -1.044 -9.550 -16.299 446 HD23 LEU 53 HD23 LEU 53 -2.661 -9.729 -16.995 447 H THR 54 H THR 54 -0.363 -5.348 -19.747 448 HA THR 54 HA THR 54 -0.641 -6.807 -22.158 449 HB THR 54 HB THR 54 -1.286 -4.425 -21.529 450 HG1 THR 54 HG1 THR 54 -0.840 -5.465 -23.893 451 HG21 THR 54 HG21 THR 54 0.121 -2.591 -21.950 452 HG22 THR 54 HG22 THR 54 1.415 -3.621 -22.617 453 HG23 THR 54 HG23 THR 54 1.026 -3.672 -20.888 454 H GLN 55 H GLN 55 2.260 -5.735 -20.359 455 HA GLN 55 HA GLN 55 3.993 -6.321 -22.609 456 HB2 GLN 55 HB2 GLN 55 5.783 -5.792 -21.128 457 HB3 GLN 55 HB3 GLN 55 4.455 -4.676 -20.774 458 HG2 GLN 55 HG2 GLN 55 4.761 -5.210 -18.631 459 HG3 GLN 55 HG3 GLN 55 3.928 -6.682 -19.004 460 HE21 GLN 55 HE21 GLN 55 5.652 -8.503 -19.920 461 HE22 GLN 55 HE22 GLN 55 7.080 -8.619 -18.975 462 H LEU 56 H LEU 56 2.396 -8.226 -20.161 463 HA LEU 56 HA LEU 56 4.368 -10.376 -20.359 464 HB2 LEU 56 HB2 LEU 56 3.762 -10.930 -18.349 465 HB3 LEU 56 HB3 LEU 56 2.756 -9.517 -18.307 466 HG LEU 56 HG LEU 56 0.834 -10.975 -19.186 467 HD11 LEU 56 HD11 LEU 56 2.088 -12.987 -19.916 468 HD12 LEU 56 HD12 LEU 56 1.108 -13.422 -18.531 469 HD13 LEU 56 HD13 LEU 56 2.868 -13.128 -18.358 470 HD21 LEU 56 HD21 LEU 56 2.095 -11.584 -16.464 471 HD22 LEU 56 HD22 LEU 56 0.372 -11.757 -16.899 472 HD23 LEU 56 HD23 LEU 56 1.129 -10.158 -16.848 473 H GLU 57 H GLU 57 1.076 -9.460 -21.412 474 HA GLU 57 HA GLU 57 0.242 -11.820 -22.720 475 HB2 GLU 57 HB2 GLU 57 -1.081 -9.761 -22.232 476 HB3 GLU 57 HB3 GLU 57 -0.209 -8.969 -23.539 477 HG2 GLU 57 HG2 GLU 57 -2.202 -9.639 -24.476 478 HG3 GLU 57 HG3 GLU 57 -1.090 -10.833 -25.093 479 H SER 58 H SER 58 2.757 -9.492 -23.544 480 HA SER 58 HA SER 58 3.006 -9.995 -26.341 481 HB2 SER 58 HB2 SER 58 5.114 -9.204 -24.298 482 HB3 SER 58 HB3 SER 58 5.184 -8.912 -26.036 483 HG SER 58 HG SER 58 3.032 -7.723 -25.516 484 H GLU 59 H GLU 59 3.969 -11.888 -23.495 485 HA GLU 59 HA GLU 59 5.870 -13.504 -25.072 486 HB2 GLU 59 HB2 GLU 59 6.371 -12.743 -22.722 487 HB3 GLU 59 HB3 GLU 59 5.057 -13.785 -22.155 488 HG2 GLU 59 HG2 GLU 59 6.198 -15.770 -23.036 489 HG3 GLU 59 HG3 GLU 59 7.398 -14.756 -23.845 490 H GLU 60 H GLU 60 5.378 -15.578 -25.759 491 HA GLU 60 HA GLU 60 2.627 -16.239 -26.108 492 HB2 GLU 60 HB2 GLU 60 4.802 -16.888 -27.465 493 HB3 GLU 60 HB3 GLU 60 4.920 -18.219 -26.319 494 HG2 GLU 60 HG2 GLU 60 3.731 -19.164 -28.078 495 HG3 GLU 60 HG3 GLU 60 2.428 -18.720 -26.980 496 H GLU 61 H GLU 61 5.151 -17.309 -23.840 497 HA GLU 61 HA GLU 61 3.206 -18.295 -21.927 498 HB2 GLU 61 HB2 GLU 61 3.576 -20.194 -23.627 499 HB3 GLU 61 HB3 GLU 61 5.219 -20.282 -23.030 500 HG2 GLU 61 HG2 GLU 61 4.336 -20.752 -20.743 501 HG3 GLU 61 HG3 GLU 61 2.689 -20.667 -21.387 502 H SER 62 H SER 62 4.033 -17.260 -20.252 503 HA SER 62 HA SER 62 6.895 -16.710 -19.837 504 HB2 SER 62 HB2 SER 62 4.435 -16.109 -18.113 505 HB3 SER 62 HB3 SER 62 6.064 -15.453 -17.890 506 HG SER 62 HG SER 62 5.862 -14.504 -20.006 Start of MODEL 14 1 H1 MET 1 H MET 1 1.598 1.782 -0.150 2 HA MET 1 HA MET 1 3.317 0.873 -1.675 3 HB2 MET 1 HB2 MET 1 4.429 -0.617 -0.023 4 HB3 MET 1 HB3 MET 1 3.956 0.953 0.599 5 HG2 MET 1 HG2 MET 1 2.106 0.035 1.828 6 HG3 MET 1 HG3 MET 1 2.309 -1.544 1.072 7 HE1 MET 1 HE1 MET 1 2.452 -3.101 2.909 8 HE2 MET 1 HE2 MET 1 3.264 -2.792 4.454 9 HE3 MET 1 HE3 MET 1 1.889 -1.778 3.955 10 H LYS 2 H LYS 2 2.023 -0.067 -3.538 11 HA LYS 2 HA LYS 2 2.583 -2.898 -3.672 12 HB2 LYS 2 HB2 LYS 2 0.416 -3.775 -4.139 13 HB3 LYS 2 HB3 LYS 2 0.400 -3.039 -2.538 14 HG2 LYS 2 HG2 LYS 2 -0.645 -0.983 -3.869 15 HG3 LYS 2 HG3 LYS 2 -0.987 -2.222 -5.089 16 HD2 LYS 2 HD2 LYS 2 -1.955 -2.015 -2.227 17 HD3 LYS 2 HD3 LYS 2 -2.908 -2.078 -3.719 18 HE2 LYS 2 HE2 LYS 2 -2.467 -4.453 -3.991 19 HE3 LYS 2 HE3 LYS 2 -1.282 -4.431 -2.660 20 HZ1 LYS 2 HZ1 LYS 2 -3.350 -5.314 -1.913 21 HZ2 LYS 2 HZ2 LYS 2 -4.185 -4.008 -2.416 22 HZ3 LYS 2 HZ3 LYS 2 -3.125 -3.848 -1.173 23 H ASN 3 H ASN 3 2.029 -3.770 -5.746 24 HA ASN 3 HA ASN 3 2.203 -1.837 -7.970 25 HB2 ASN 3 HB2 ASN 3 3.952 -3.367 -8.901 26 HB3 ASN 3 HB3 ASN 3 4.452 -2.703 -7.349 27 HD21 ASN 3 HD21 ASN 3 3.880 -5.712 -9.047 28 HD22 ASN 3 HD22 ASN 3 3.875 -6.679 -7.548 29 H ALA 4 H ALA 4 1.902 -3.017 -10.075 30 HA ALA 4 HA ALA 4 -0.677 -4.014 -10.279 31 HB1 ALA 4 HB1 ALA 4 1.737 -4.355 -12.125 32 HB2 ALA 4 HB2 ALA 4 0.096 -4.825 -12.564 33 HB3 ALA 4 HB3 ALA 4 0.457 -3.129 -12.210 34 H ALA 5 H ALA 5 2.329 -6.022 -10.415 35 HA ALA 5 HA ALA 5 1.009 -8.469 -10.646 36 HB1 ALA 5 HB1 ALA 5 3.522 -8.053 -10.846 37 HB2 ALA 5 HB2 ALA 5 3.589 -8.186 -9.071 38 HB3 ALA 5 HB3 ALA 5 3.017 -9.554 -10.017 39 H LYS 6 H LYS 6 1.644 -6.530 -7.737 40 HA LYS 6 HA LYS 6 1.248 -8.465 -5.730 41 HB2 LYS 6 HB2 LYS 6 1.659 -5.698 -5.961 42 HB3 LYS 6 HB3 LYS 6 0.135 -5.793 -5.107 43 HG2 LYS 6 HG2 LYS 6 2.573 -7.367 -4.203 44 HG3 LYS 6 HG3 LYS 6 2.445 -5.635 -3.884 45 HD2 LYS 6 HD2 LYS 6 1.694 -6.680 -1.932 46 HD3 LYS 6 HD3 LYS 6 0.240 -6.037 -2.722 47 HE2 LYS 6 HE2 LYS 6 -0.273 -8.294 -3.619 48 HE3 LYS 6 HE3 LYS 6 1.246 -8.916 -2.924 49 HZ1 LYS 6 HZ1 LYS 6 0.382 -8.393 -0.745 50 HZ2 LYS 6 HZ2 LYS 6 -0.570 -9.435 -1.505 51 HZ3 LYS 6 HZ3 LYS 6 -1.055 -7.870 -1.366 52 H ILE 7 H ILE 7 -1.122 -6.237 -7.231 53 HA ILE 7 HA ILE 7 -3.421 -7.505 -5.937 54 HB ILE 7 HB ILE 7 -3.616 -5.923 -8.393 55 HG12 ILE 7 HG12 ILE 7 -3.841 -3.939 -6.469 56 HG13 ILE 7 HG13 ILE 7 -2.332 -4.765 -6.067 57 HG21 ILE 7 HG21 ILE 7 -5.712 -5.094 -7.433 58 HG22 ILE 7 HG22 ILE 7 -5.696 -6.861 -7.287 59 HG23 ILE 7 HG23 ILE 7 -5.337 -5.860 -5.890 60 HD11 ILE 7 HD11 ILE 7 -1.804 -4.618 -8.548 61 HD12 ILE 7 HD12 ILE 7 -3.281 -3.675 -8.744 62 HD13 ILE 7 HD13 ILE 7 -1.929 -3.030 -7.730 63 H VAL 8 H VAL 8 -1.661 -8.105 -8.996 64 HA VAL 8 HA VAL 8 -3.729 -9.656 -10.207 65 HB VAL 8 HB VAL 8 -0.745 -9.653 -10.585 66 HG11 VAL 8 HG11 VAL 8 -2.825 -11.202 -12.185 67 HG12 VAL 8 HG12 VAL 8 -1.182 -10.882 -12.755 68 HG13 VAL 8 HG13 VAL 8 -1.433 -11.865 -11.316 69 HG21 VAL 8 HG21 VAL 8 -1.233 -8.400 -12.632 70 HG22 VAL 8 HG22 VAL 8 -2.969 -8.734 -12.487 71 HG23 VAL 8 HG23 VAL 8 -2.179 -7.645 -11.344 72 H ASN 9 H ASN 9 -0.913 -10.571 -8.260 73 HA ASN 9 HA ASN 9 -1.342 -13.317 -8.244 74 HB2 ASN 9 HB2 ASN 9 0.469 -13.300 -6.976 75 HB3 ASN 9 HB3 ASN 9 0.426 -11.535 -6.956 76 HD21 ASN 9 HD21 ASN 9 -0.530 -10.480 -5.092 77 HD22 ASN 9 HD22 ASN 9 -0.486 -11.350 -3.536 78 H GLU 10 H GLU 10 -2.836 -10.830 -6.245 79 HA GLU 10 HA GLU 10 -4.225 -12.554 -4.469 80 HB2 GLU 10 HB2 GLU 10 -4.139 -9.653 -5.226 81 HB3 GLU 10 HB3 GLU 10 -5.702 -10.181 -4.597 82 HG2 GLU 10 HG2 GLU 10 -3.152 -10.924 -3.128 83 HG3 GLU 10 HG3 GLU 10 -3.839 -9.296 -2.964 84 H ALA 11 H ALA 11 -5.155 -10.987 -7.611 85 HA ALA 11 HA ALA 11 -7.845 -11.806 -7.577 86 HB1 ALA 11 HB1 ALA 11 -6.017 -11.468 -10.002 87 HB2 ALA 11 HB2 ALA 11 -7.779 -11.378 -9.984 88 HB3 ALA 11 HB3 ALA 11 -6.827 -10.137 -9.136 89 H LEU 12 H LEU 12 -4.954 -13.418 -8.975 90 HA LEU 12 HA LEU 12 -6.307 -15.677 -9.958 91 HB2 LEU 12 HB2 LEU 12 -3.560 -15.834 -8.761 92 HB3 LEU 12 HB3 LEU 12 -4.224 -16.844 -10.027 93 HG LEU 12 HG LEU 12 -3.254 -13.987 -10.200 94 HD11 LEU 12 HD11 LEU 12 -2.536 -16.382 -11.908 95 HD12 LEU 12 HD12 LEU 12 -1.695 -15.983 -10.407 96 HD13 LEU 12 HD13 LEU 12 -1.677 -14.835 -11.764 97 HD21 LEU 12 HD21 LEU 12 -5.149 -13.802 -11.578 98 HD22 LEU 12 HD22 LEU 12 -4.984 -15.457 -12.220 99 HD23 LEU 12 HD23 LEU 12 -3.850 -14.172 -12.699 100 H ASN 13 H ASN 13 -5.066 -15.095 -6.661 101 HA ASN 13 HA ASN 13 -5.509 -17.751 -5.648 102 HB2 ASN 13 HB2 ASN 13 -5.227 -15.025 -4.328 103 HB3 ASN 13 HB3 ASN 13 -5.812 -16.391 -3.404 104 HD21 ASN 13 HD21 ASN 13 -3.020 -15.176 -5.214 105 HD22 ASN 13 HD22 ASN 13 -1.852 -16.253 -4.493 106 H GLN 14 H GLN 14 -7.588 -14.831 -5.833 107 HA GLN 14 HA GLN 14 -9.847 -16.216 -4.614 108 HB2 GLN 14 HB2 GLN 14 -9.370 -13.451 -5.735 109 HB3 GLN 14 HB3 GLN 14 -11.021 -14.039 -5.569 110 HG2 GLN 14 HG2 GLN 14 -10.611 -12.867 -3.600 111 HG3 GLN 14 HG3 GLN 14 -10.629 -14.571 -3.174 112 HE21 GLN 14 HE21 GLN 14 -8.432 -11.818 -3.896 113 HE22 GLN 14 HE22 GLN 14 -7.081 -12.440 -2.967 114 H GLY 15 H GLY 15 -8.473 -16.867 -7.494 115 HA2 GLY 15 HA2 GLY 15 -9.232 -18.112 -9.229 116 HA3 GLY 15 HA3 GLY 15 -10.874 -18.041 -8.567 117 H ILE 16 H ILE 16 -8.791 -15.257 -9.454 118 HA ILE 16 HA ILE 16 -10.677 -14.652 -11.679 119 HB ILE 16 HB ILE 16 -9.603 -12.836 -9.509 120 HG12 ILE 16 HG12 ILE 16 -12.540 -12.966 -10.078 121 HG13 ILE 16 HG13 ILE 16 -11.882 -14.405 -9.344 122 HG21 ILE 16 HG21 ILE 16 -9.521 -11.583 -11.556 123 HG22 ILE 16 HG22 ILE 16 -11.163 -12.126 -12.019 124 HG23 ILE 16 HG23 ILE 16 -10.923 -11.068 -10.614 125 HD11 ILE 16 HD11 ILE 16 -12.535 -13.186 -7.522 126 HD12 ILE 16 HD12 ILE 16 -10.797 -12.848 -7.589 127 HD13 ILE 16 HD13 ILE 16 -11.972 -11.647 -8.205 128 H THR 17 H THR 17 -9.688 -14.318 -13.569 129 HA THR 17 HA THR 17 -6.754 -14.114 -13.727 130 HB THR 17 HB THR 17 -9.027 -14.631 -15.704 131 HG1 THR 17 HG1 THR 17 -6.856 -16.285 -14.960 132 HG21 THR 17 HG21 THR 17 -7.359 -13.403 -16.929 133 HG22 THR 17 HG22 THR 17 -7.236 -15.105 -17.386 134 HG23 THR 17 HG23 THR 17 -6.049 -14.389 -16.255 135 H LEU 18 H LEU 18 -5.892 -12.048 -14.091 136 HA LEU 18 HA LEU 18 -7.781 -9.898 -14.907 137 HB2 LEU 18 HB2 LEU 18 -5.091 -9.942 -13.505 138 HB3 LEU 18 HB3 LEU 18 -5.711 -8.493 -14.314 139 HG LEU 18 HG LEU 18 -7.407 -9.997 -12.296 140 HD11 LEU 18 HD11 LEU 18 -6.394 -8.456 -10.623 141 HD12 LEU 18 HD12 LEU 18 -5.168 -7.995 -11.868 142 HD13 LEU 18 HD13 LEU 18 -5.323 -9.676 -11.292 143 HD21 LEU 18 HD21 LEU 18 -7.263 -7.089 -13.206 144 HD22 LEU 18 HD22 LEU 18 -8.411 -7.777 -12.056 145 HD23 LEU 18 HD23 LEU 18 -8.464 -8.303 -13.706 146 H PHE 19 H PHE 19 -7.644 -9.143 -16.954 147 HA PHE 19 HA PHE 19 -5.214 -9.632 -18.516 148 HB2 PHE 19 HB2 PHE 19 -6.245 -10.858 -20.187 149 HB3 PHE 19 HB3 PHE 19 -6.878 -11.633 -18.737 150 HD1 PHE 19 HD1 PHE 19 -7.620 -9.715 -21.731 151 HD2 PHE 19 HD2 PHE 19 -9.353 -11.263 -18.099 152 HE1 PHE 19 HE1 PHE 19 -9.871 -9.403 -22.678 153 HE2 PHE 19 HE2 PHE 19 -11.594 -10.626 -18.937 154 HZ PHE 19 HZ PHE 19 -11.884 -9.816 -21.271 155 H VAL 20 H VAL 20 -5.096 -8.018 -20.242 156 HA VAL 20 HA VAL 20 -7.021 -5.826 -19.825 157 HB VAL 20 HB VAL 20 -5.387 -4.489 -20.028 158 HG11 VAL 20 HG11 VAL 20 -4.087 -5.996 -18.807 159 HG12 VAL 20 HG12 VAL 20 -3.425 -6.721 -20.313 160 HG13 VAL 20 HG13 VAL 20 -3.079 -5.036 -19.895 161 HG21 VAL 20 HG21 VAL 20 -3.916 -4.187 -21.941 162 HG22 VAL 20 HG22 VAL 20 -4.507 -5.716 -22.623 163 HG23 VAL 20 HG23 VAL 20 -5.629 -4.340 -22.376 164 H SER 21 H SER 21 -8.357 -5.135 -21.444 165 HA SER 21 HA SER 21 -8.439 -6.661 -24.006 166 HB2 SER 21 HB2 SER 21 -10.211 -7.092 -21.975 167 HB3 SER 21 HB3 SER 21 -10.921 -5.653 -22.710 168 HG SER 21 HG SER 21 -11.741 -7.631 -23.488 169 H ASP 22 H ASP 22 -8.090 -5.140 -25.568 170 HA ASP 22 HA ASP 22 -7.798 -3.188 -26.628 171 HB2 ASP 22 HB2 ASP 22 -10.364 -2.302 -25.212 172 HB3 ASP 22 HB3 ASP 22 -9.691 -1.625 -26.677 173 H ASN 23 H ASN 23 -6.211 -3.397 -24.647 174 HA ASN 23 HA ASN 23 -4.768 -2.241 -23.259 175 HB2 ASN 23 HB2 ASN 23 -5.070 -0.740 -25.502 176 HB3 ASN 23 HB3 ASN 23 -5.678 0.421 -24.337 177 HD21 ASN 23 HD21 ASN 23 -3.077 -1.978 -24.684 178 HD22 ASN 23 HD22 ASN 23 -1.805 -1.006 -23.885 179 H LYS 24 H LYS 24 -7.505 -2.731 -22.313 180 HA LYS 24 HA LYS 24 -7.513 -0.715 -20.147 181 HB2 LYS 24 HB2 LYS 24 -9.336 -0.475 -21.934 182 HB3 LYS 24 HB3 LYS 24 -9.968 -2.022 -21.384 183 HG2 LYS 24 HG2 LYS 24 -11.197 -0.363 -20.179 184 HG3 LYS 24 HG3 LYS 24 -10.093 -1.031 -19.000 185 HD2 LYS 24 HD2 LYS 24 -8.762 0.894 -18.927 186 HD3 LYS 24 HD3 LYS 24 -9.136 1.324 -20.608 187 HE2 LYS 24 HE2 LYS 24 -11.624 1.569 -19.527 188 HE3 LYS 24 HE3 LYS 24 -10.628 1.988 -18.119 189 HZ1 LYS 24 HZ1 LYS 24 -11.153 3.945 -19.471 190 HZ2 LYS 24 HZ2 LYS 24 -10.502 3.261 -20.801 191 HZ3 LYS 24 HZ3 LYS 24 -9.542 3.669 -19.532 192 H LEU 25 H LEU 25 -7.335 -1.596 -18.242 193 HA LEU 25 HA LEU 25 -6.897 -4.290 -17.730 194 HB2 LEU 25 HB2 LEU 25 -6.207 -2.358 -16.364 195 HB3 LEU 25 HB3 LEU 25 -7.850 -2.073 -15.849 196 HG LEU 25 HG LEU 25 -6.169 -3.236 -14.306 197 HD11 LEU 25 HD11 LEU 25 -7.822 -4.602 -13.209 198 HD12 LEU 25 HD12 LEU 25 -8.900 -4.499 -14.616 199 HD13 LEU 25 HD13 LEU 25 -8.447 -3.027 -13.711 200 HD21 LEU 25 HD21 LEU 25 -5.849 -5.578 -14.402 201 HD22 LEU 25 HD22 LEU 25 -5.415 -4.928 -15.994 202 HD23 LEU 25 HD23 LEU 25 -6.963 -5.778 -15.757 203 H LYS 26 H LYS 26 -8.228 -5.993 -17.668 204 HA LYS 26 HA LYS 26 -11.051 -5.661 -16.876 205 HB2 LYS 26 HB2 LYS 26 -9.965 -6.687 -19.482 206 HB3 LYS 26 HB3 LYS 26 -11.013 -7.836 -18.662 207 HG2 LYS 26 HG2 LYS 26 -12.518 -6.609 -19.939 208 HG3 LYS 26 HG3 LYS 26 -12.650 -5.928 -18.304 209 HD2 LYS 26 HD2 LYS 26 -10.913 -4.145 -19.151 210 HD3 LYS 26 HD3 LYS 26 -11.083 -4.874 -20.716 211 HE2 LYS 26 HE2 LYS 26 -12.441 -2.978 -20.793 212 HE3 LYS 26 HE3 LYS 26 -13.587 -4.312 -20.581 213 HZ1 LYS 26 HZ1 LYS 26 -13.958 -2.362 -19.157 214 HZ2 LYS 26 HZ2 LYS 26 -12.547 -2.663 -18.357 215 HZ3 LYS 26 HZ3 LYS 26 -13.790 -3.745 -18.287 216 H TYR 27 H TYR 27 -11.960 -7.938 -16.407 217 HA TYR 27 HA TYR 27 -9.979 -9.672 -15.149 218 HB2 TYR 27 HB2 TYR 27 -10.983 -9.555 -12.948 219 HB3 TYR 27 HB3 TYR 27 -10.755 -7.920 -13.491 220 HD1 TYR 27 HD1 TYR 27 -12.590 -6.433 -13.875 221 HD2 TYR 27 HD2 TYR 27 -13.217 -10.603 -13.059 222 HE1 TYR 27 HE1 TYR 27 -15.030 -6.004 -13.666 223 HE2 TYR 27 HE2 TYR 27 -15.677 -10.223 -12.937 224 HH TYR 27 HH TYR 27 -17.347 -8.628 -12.857 225 H LYS 28 H LYS 28 -10.791 -11.816 -14.793 226 HA LYS 28 HA LYS 28 -13.293 -12.551 -16.187 227 HB2 LYS 28 HB2 LYS 28 -10.503 -13.005 -17.091 228 HB3 LYS 28 HB3 LYS 28 -11.343 -14.521 -16.878 229 HG2 LYS 28 HG2 LYS 28 -12.759 -12.292 -18.320 230 HG3 LYS 28 HG3 LYS 28 -11.474 -13.152 -19.164 231 HD2 LYS 28 HD2 LYS 28 -13.781 -14.616 -17.825 232 HD3 LYS 28 HD3 LYS 28 -13.867 -13.987 -19.485 233 HE2 LYS 28 HE2 LYS 28 -11.689 -15.211 -19.954 234 HE3 LYS 28 HE3 LYS 28 -11.886 -16.017 -18.391 235 HZ1 LYS 28 HZ1 LYS 28 -12.889 -17.365 -20.146 236 HZ2 LYS 28 HZ2 LYS 28 -13.845 -16.119 -20.615 237 HZ3 LYS 28 HZ3 LYS 28 -14.074 -16.815 -19.143 238 H THR 29 H THR 29 -14.440 -13.992 -14.974 239 HA THR 29 HA THR 29 -13.128 -16.091 -13.534 240 HB THR 29 HB THR 29 -12.784 -14.276 -11.953 241 HG1 THR 29 HG1 THR 29 -13.056 -16.013 -10.843 242 HG21 THR 29 HG21 THR 29 -14.400 -12.657 -12.429 243 HG22 THR 29 HG22 THR 29 -14.818 -13.277 -10.810 244 HG23 THR 29 HG23 THR 29 -15.762 -13.795 -12.209 245 H ASN 30 H ASN 30 -14.952 -17.258 -12.295 246 HA ASN 30 HA ASN 30 -17.357 -17.365 -14.076 247 HB2 ASN 30 HB2 ASN 30 -15.951 -19.709 -12.760 248 HB3 ASN 30 HB3 ASN 30 -17.437 -19.761 -13.704 249 HD21 ASN 30 HD21 ASN 30 -15.074 -21.293 -14.325 250 HD22 ASN 30 HD22 ASN 30 -14.526 -20.726 -15.895 251 H ARG 31 H ARG 31 -16.741 -15.921 -11.406 252 HA ARG 31 HA ARG 31 -19.157 -16.843 -10.028 253 HB2 ARG 31 HB2 ARG 31 -18.114 -16.790 -7.921 254 HB3 ARG 31 HB3 ARG 31 -17.218 -17.877 -8.972 255 HG2 ARG 31 HG2 ARG 31 -15.861 -15.360 -9.138 256 HG3 ARG 31 HG3 ARG 31 -16.350 -15.520 -7.451 257 HD2 ARG 31 HD2 ARG 31 -15.353 -18.056 -8.074 258 HD3 ARG 31 HD3 ARG 31 -14.333 -17.013 -9.021 259 HE ARG 31 HE ARG 31 -13.269 -16.298 -7.160 260 HH11 ARG 31 HH11 ARG 31 -16.132 -18.127 -6.044 261 HH12 ARG 31 HH12 ARG 31 -15.641 -18.123 -4.401 262 HH21 ARG 31 HH21 ARG 31 -12.609 -16.366 -5.085 263 HH22 ARG 31 HH22 ARG 31 -13.573 -16.985 -3.786 264 H ASP 32 H ASP 32 -20.123 -15.143 -8.809 265 HA ASP 32 HA ASP 32 -19.298 -12.413 -9.715 266 HB2 ASP 32 HB2 ASP 32 -22.005 -13.662 -9.145 267 HB3 ASP 32 HB3 ASP 32 -21.749 -11.924 -9.308 268 H SER 33 H SER 33 -19.408 -14.395 -7.000 269 HA SER 33 HA SER 33 -20.093 -12.371 -4.992 270 HB2 SER 33 HB2 SER 33 -20.681 -14.877 -5.010 271 HB3 SER 33 HB3 SER 33 -18.989 -15.174 -4.598 272 HG SER 33 HG SER 33 -19.359 -13.845 -2.724 273 H ILE 34 H ILE 34 -17.770 -11.758 -6.683 274 HA ILE 34 HA ILE 34 -15.375 -12.340 -5.170 275 HB ILE 34 HB ILE 34 -14.241 -11.016 -6.855 276 HG12 ILE 34 HG12 ILE 34 -15.876 -10.160 -8.792 277 HG13 ILE 34 HG13 ILE 34 -16.983 -9.911 -7.462 278 HG21 ILE 34 HG21 ILE 34 -15.070 -13.358 -7.313 279 HG22 ILE 34 HG22 ILE 34 -16.390 -12.632 -8.266 280 HG23 ILE 34 HG23 ILE 34 -14.700 -12.375 -8.724 281 HD11 ILE 34 HD11 ILE 34 -15.448 -7.983 -8.174 282 HD12 ILE 34 HD12 ILE 34 -15.542 -8.304 -6.438 283 HD13 ILE 34 HD13 ILE 34 -14.122 -8.834 -7.384 284 HA PRO 35 HA PRO 35 -15.457 -9.031 -2.291 285 HB2 PRO 35 HB2 PRO 35 -12.874 -8.373 -1.902 286 HB3 PRO 35 HB3 PRO 35 -13.516 -9.982 -1.453 287 HG2 PRO 35 HG2 PRO 35 -12.118 -9.222 -4.037 288 HG3 PRO 35 HG3 PRO 35 -11.692 -10.566 -2.945 289 HD2 PRO 35 HD2 PRO 35 -13.210 -11.024 -5.069 290 HD3 PRO 35 HD3 PRO 35 -13.627 -11.785 -3.505 291 H SER 36 H SER 36 -15.942 -6.898 -2.419 292 HA SER 36 HA SER 36 -15.853 -5.426 -4.794 293 HB2 SER 36 HB2 SER 36 -16.262 -3.434 -3.270 294 HB3 SER 36 HB3 SER 36 -17.372 -4.797 -3.066 295 HG SER 36 HG SER 36 -15.152 -4.108 -1.396 296 H GLU 37 H GLU 37 -13.378 -5.757 -2.347 297 HA GLU 37 HA GLU 37 -11.874 -3.425 -2.772 298 HB2 GLU 37 HB2 GLU 37 -10.194 -4.438 -1.515 299 HB3 GLU 37 HB3 GLU 37 -11.680 -5.214 -0.925 300 HG2 GLU 37 HG2 GLU 37 -11.127 -7.162 -2.457 301 HG3 GLU 37 HG3 GLU 37 -9.610 -6.358 -2.849 302 H LEU 38 H LEU 38 -11.945 -6.483 -4.602 303 HA LEU 38 HA LEU 38 -9.556 -5.975 -6.098 304 HB2 LEU 38 HB2 LEU 38 -11.846 -7.886 -6.181 305 HB3 LEU 38 HB3 LEU 38 -11.108 -7.580 -7.734 306 HG LEU 38 HG LEU 38 -8.967 -8.366 -7.039 307 HD11 LEU 38 HD11 LEU 38 -8.749 -7.465 -4.730 308 HD12 LEU 38 HD12 LEU 38 -8.440 -9.196 -4.754 309 HD13 LEU 38 HD13 LEU 38 -9.994 -8.588 -4.164 310 HD21 LEU 38 HD21 LEU 38 -10.655 -10.062 -7.538 311 HD22 LEU 38 HD22 LEU 38 -11.110 -10.151 -5.831 312 HD23 LEU 38 HD23 LEU 38 -9.491 -10.675 -6.347 313 H LEU 39 H LEU 39 -12.985 -5.453 -6.956 314 HA LEU 39 HA LEU 39 -12.532 -4.250 -9.462 315 HB2 LEU 39 HB2 LEU 39 -14.711 -3.970 -7.399 316 HB3 LEU 39 HB3 LEU 39 -14.798 -3.069 -8.910 317 HG LEU 39 HG LEU 39 -14.340 -6.066 -8.995 318 HD11 LEU 39 HD11 LEU 39 -16.802 -6.387 -9.106 319 HD12 LEU 39 HD12 LEU 39 -17.018 -4.684 -8.666 320 HD13 LEU 39 HD13 LEU 39 -16.265 -5.801 -7.523 321 HD21 LEU 39 HD21 LEU 39 -15.539 -5.854 -11.137 322 HD22 LEU 39 HD22 LEU 39 -14.140 -4.771 -11.100 323 HD23 LEU 39 HD23 LEU 39 -15.772 -4.116 -10.861 324 H GLU 40 H GLU 40 -12.434 -2.810 -6.270 325 HA GLU 40 HA GLU 40 -12.243 -0.067 -7.139 326 HB2 GLU 40 HB2 GLU 40 -11.594 -1.449 -4.507 327 HB3 GLU 40 HB3 GLU 40 -11.649 0.300 -4.724 328 HG2 GLU 40 HG2 GLU 40 -14.059 -1.441 -5.394 329 HG3 GLU 40 HG3 GLU 40 -13.716 -0.956 -3.760 330 H GLU 41 H GLU 41 -9.822 -2.397 -5.751 331 HA GLU 41 HA GLU 41 -7.647 -0.657 -6.049 332 HB2 GLU 41 HB2 GLU 41 -7.969 -2.914 -4.710 333 HB3 GLU 41 HB3 GLU 41 -7.253 -3.668 -6.162 334 HG2 GLU 41 HG2 GLU 41 -5.236 -2.506 -5.829 335 HG3 GLU 41 HG3 GLU 41 -5.980 -1.222 -4.891 336 H TRP 42 H TRP 42 -9.024 -3.050 -8.236 337 HA TRP 42 HA TRP 42 -7.020 -3.097 -10.208 338 HB2 TRP 42 HB2 TRP 42 -10.057 -3.325 -10.363 339 HB3 TRP 42 HB3 TRP 42 -9.018 -3.564 -11.725 340 HD1 TRP 42 HD1 TRP 42 -6.905 -5.158 -9.582 341 HE1 TRP 42 HE1 TRP 42 -7.378 -7.612 -9.133 342 HE3 TRP 42 HE3 TRP 42 -11.716 -5.236 -11.190 343 HZ2 TRP 42 HZ2 TRP 42 -9.704 -9.458 -9.535 344 HZ3 TRP 42 HZ3 TRP 42 -13.121 -7.278 -10.926 345 HH2 TRP 42 HH2 TRP 42 -12.094 -9.372 -10.099 346 H LYS 43 H LYS 43 -9.478 -0.763 -9.526 347 HA LYS 43 HA LYS 43 -9.212 0.755 -12.068 348 HB2 LYS 43 HB2 LYS 43 -11.335 0.400 -10.502 349 HB3 LYS 43 HB3 LYS 43 -10.587 1.646 -9.515 350 HG2 LYS 43 HG2 LYS 43 -10.549 3.093 -11.680 351 HG3 LYS 43 HG3 LYS 43 -11.600 1.828 -12.380 352 HD2 LYS 43 HD2 LYS 43 -13.056 2.095 -10.282 353 HD3 LYS 43 HD3 LYS 43 -12.064 3.523 -9.889 354 HE2 LYS 43 HE2 LYS 43 -12.681 4.392 -12.226 355 HE3 LYS 43 HE3 LYS 43 -13.901 3.092 -12.277 356 HZ1 LYS 43 HZ1 LYS 43 -14.749 4.058 -10.143 357 HZ2 LYS 43 HZ2 LYS 43 -14.872 5.090 -11.430 358 HZ3 LYS 43 HZ3 LYS 43 -13.677 5.300 -10.336 359 H GLN 44 H GLN 44 -8.042 0.806 -8.796 360 HA GLN 44 HA GLN 44 -7.042 3.564 -8.829 361 HB2 GLN 44 HB2 GLN 44 -6.411 1.150 -7.065 362 HB3 GLN 44 HB3 GLN 44 -5.698 2.739 -6.824 363 HG2 GLN 44 HG2 GLN 44 -7.758 3.714 -6.174 364 HG3 GLN 44 HG3 GLN 44 -8.715 2.425 -6.886 365 HE21 GLN 44 HE21 GLN 44 -5.904 2.250 -4.635 366 HE22 GLN 44 HE22 GLN 44 -6.714 1.311 -3.409 367 H HIS 45 H HIS 45 -5.496 0.347 -8.998 368 HA HIS 45 HA HIS 45 -3.006 1.470 -10.065 369 HB2 HIS 45 HB2 HIS 45 -3.863 -1.355 -9.309 370 HB3 HIS 45 HB3 HIS 45 -2.234 -0.889 -9.728 371 HD1 HIS 45 HD1 HIS 45 -0.921 0.721 -7.989 372 HD2 HIS 45 HD2 HIS 45 -4.695 -0.656 -6.825 373 HE1 HIS 45 HE1 HIS 45 -1.081 1.099 -5.441 374 H LYS 46 H LYS 46 -5.605 1.331 -11.718 375 HA LYS 46 HA LYS 46 -5.418 -0.806 -13.548 376 HB2 LYS 46 HB2 LYS 46 -6.880 0.386 -15.022 377 HB3 LYS 46 HB3 LYS 46 -7.418 0.445 -13.357 378 HG2 LYS 46 HG2 LYS 46 -7.946 2.469 -13.828 379 HG3 LYS 46 HG3 LYS 46 -6.295 2.800 -13.299 380 HD2 LYS 46 HD2 LYS 46 -5.547 3.119 -15.526 381 HD3 LYS 46 HD3 LYS 46 -6.989 2.329 -16.238 382 HE2 LYS 46 HE2 LYS 46 -8.442 4.026 -15.317 383 HE3 LYS 46 HE3 LYS 46 -7.090 4.790 -14.466 384 HZ1 LYS 46 HZ1 LYS 46 -7.593 6.010 -16.403 385 HZ2 LYS 46 HZ2 LYS 46 -7.450 4.701 -17.396 386 HZ3 LYS 46 HZ3 LYS 46 -6.135 5.331 -16.602 387 H GLN 47 H GLN 47 -3.739 2.288 -13.577 388 HA GLN 47 HA GLN 47 -2.912 2.127 -16.286 389 HB2 GLN 47 HB2 GLN 47 -2.842 4.189 -14.857 390 HB3 GLN 47 HB3 GLN 47 -1.511 3.493 -13.959 391 HG2 GLN 47 HG2 GLN 47 -0.671 5.089 -15.630 392 HG3 GLN 47 HG3 GLN 47 -0.129 3.473 -16.058 393 HE21 GLN 47 HE21 GLN 47 -1.074 2.411 -17.913 394 HE22 GLN 47 HE22 GLN 47 -2.027 3.304 -19.081 395 H GLU 48 H GLU 48 -1.178 1.242 -13.253 396 HA GLU 48 HA GLU 48 1.042 0.078 -14.700 397 HB2 GLU 48 HB2 GLU 48 1.634 -0.949 -12.531 398 HB3 GLU 48 HB3 GLU 48 1.520 0.807 -12.480 399 HG2 GLU 48 HG2 GLU 48 -0.839 -0.872 -11.602 400 HG3 GLU 48 HG3 GLU 48 0.559 -0.764 -10.554 401 H LEU 49 H LEU 49 -2.048 -1.213 -13.458 402 HA LEU 49 HA LEU 49 -1.403 -3.949 -13.805 403 HB2 LEU 49 HB2 LEU 49 -3.984 -2.398 -13.774 404 HB3 LEU 49 HB3 LEU 49 -4.023 -4.110 -14.128 405 HG LEU 49 HG LEU 49 -2.664 -3.074 -11.615 406 HD11 LEU 49 HD11 LEU 49 -5.043 -2.397 -11.523 407 HD12 LEU 49 HD12 LEU 49 -4.730 -3.741 -10.415 408 HD13 LEU 49 HD13 LEU 49 -5.542 -4.047 -11.955 409 HD21 LEU 49 HD21 LEU 49 -2.950 -5.344 -10.856 410 HD22 LEU 49 HD22 LEU 49 -2.146 -5.425 -12.431 411 HD23 LEU 49 HD23 LEU 49 -3.884 -5.781 -12.293 412 H ILE 50 H ILE 50 -2.582 -1.575 -16.164 413 HA ILE 50 HA ILE 50 -2.950 -3.523 -18.270 414 HB ILE 50 HB ILE 50 -2.485 -0.505 -18.487 415 HG12 ILE 50 HG12 ILE 50 -5.089 -1.911 -19.085 416 HG13 ILE 50 HG13 ILE 50 -4.651 -1.567 -17.418 417 HG21 ILE 50 HG21 ILE 50 -3.282 -2.520 -20.621 418 HG22 ILE 50 HG22 ILE 50 -3.407 -0.759 -20.809 419 HG23 ILE 50 HG23 ILE 50 -1.830 -1.507 -20.594 420 HD11 ILE 50 HD11 ILE 50 -6.061 0.230 -18.306 421 HD12 ILE 50 HD12 ILE 50 -4.443 0.834 -17.890 422 HD13 ILE 50 HD13 ILE 50 -4.866 0.545 -19.578 423 H ASP 51 H ASP 51 -0.317 -1.156 -17.497 424 HA ASP 51 HA ASP 51 1.410 -1.880 -19.535 425 HB2 ASP 51 HB2 ASP 51 1.449 0.034 -17.785 426 HB3 ASP 51 HB3 ASP 51 2.343 -1.078 -16.757 427 H PHE 52 H PHE 52 1.142 -3.386 -16.335 428 HA PHE 52 HA PHE 52 3.371 -5.212 -16.671 429 HB2 PHE 52 HB2 PHE 52 2.728 -4.384 -14.503 430 HB3 PHE 52 HB3 PHE 52 1.052 -4.882 -14.754 431 HD1 PHE 52 HD1 PHE 52 4.518 -6.303 -14.614 432 HD2 PHE 52 HD2 PHE 52 0.323 -7.023 -14.139 433 HE1 PHE 52 HE1 PHE 52 5.034 -8.534 -13.648 434 HE2 PHE 52 HE2 PHE 52 0.821 -9.284 -13.160 435 HZ PHE 52 HZ PHE 52 3.163 -10.030 -12.916 436 H LEU 53 H LEU 53 -0.153 -5.387 -17.283 437 HA LEU 53 HA LEU 53 0.053 -8.324 -17.619 438 HB2 LEU 53 HB2 LEU 53 -2.149 -6.297 -17.799 439 HB3 LEU 53 HB3 LEU 53 -2.412 -7.937 -18.359 440 HG LEU 53 HG LEU 53 -1.479 -7.331 -15.494 441 HD11 LEU 53 HD11 LEU 53 -3.650 -6.214 -16.008 442 HD12 LEU 53 HD12 LEU 53 -3.770 -7.477 -14.788 443 HD13 LEU 53 HD13 LEU 53 -4.331 -7.788 -16.457 444 HD21 LEU 53 HD21 LEU 53 -2.590 -9.580 -15.090 445 HD22 LEU 53 HD22 LEU 53 -1.118 -9.632 -16.053 446 HD23 LEU 53 HD23 LEU 53 -2.702 -9.767 -16.859 447 H THR 54 H THR 54 -0.431 -5.446 -19.675 448 HA THR 54 HA THR 54 -0.794 -6.853 -22.102 449 HB THR 54 HB THR 54 -1.289 -4.455 -21.380 450 HG1 THR 54 HG1 THR 54 -0.616 -5.293 -23.939 451 HG21 THR 54 HG21 THR 54 1.073 -3.820 -20.880 452 HG22 THR 54 HG22 THR 54 0.158 -2.692 -21.875 453 HG23 THR 54 HG23 THR 54 1.367 -3.769 -22.629 454 H GLN 55 H GLN 55 2.150 -6.044 -20.246 455 HA GLN 55 HA GLN 55 3.913 -6.331 -22.554 456 HB2 GLN 55 HB2 GLN 55 5.711 -6.128 -20.991 457 HB3 GLN 55 HB3 GLN 55 4.447 -4.965 -20.603 458 HG2 GLN 55 HG2 GLN 55 4.625 -5.646 -18.494 459 HG3 GLN 55 HG3 GLN 55 3.743 -7.062 -18.976 460 HE21 GLN 55 HE21 GLN 55 5.043 -9.117 -19.392 461 HE22 GLN 55 HE22 GLN 55 6.668 -9.174 -18.778 462 H LEU 56 H LEU 56 2.497 -8.312 -20.072 463 HA LEU 56 HA LEU 56 4.020 -10.684 -20.508 464 HB2 LEU 56 HB2 LEU 56 3.281 -10.800 -18.404 465 HB3 LEU 56 HB3 LEU 56 2.052 -9.585 -18.660 466 HG LEU 56 HG LEU 56 0.564 -11.345 -19.646 467 HD11 LEU 56 HD11 LEU 56 2.412 -13.104 -20.001 468 HD12 LEU 56 HD12 LEU 56 1.098 -13.716 -18.978 469 HD13 LEU 56 HD13 LEU 56 2.627 -13.173 -18.261 470 HD21 LEU 56 HD21 LEU 56 1.340 -11.869 -16.780 471 HD22 LEU 56 HD22 LEU 56 -0.244 -12.090 -17.562 472 HD23 LEU 56 HD23 LEU 56 0.411 -10.464 -17.328 473 H GLU 57 H GLU 57 0.834 -9.398 -21.601 474 HA GLU 57 HA GLU 57 -0.102 -11.718 -22.864 475 HB2 GLU 57 HB2 GLU 57 -1.312 -9.506 -22.347 476 HB3 GLU 57 HB3 GLU 57 -0.654 -8.902 -23.871 477 HG2 GLU 57 HG2 GLU 57 -1.804 -10.775 -25.071 478 HG3 GLU 57 HG3 GLU 57 -2.386 -11.398 -23.528 479 H SER 58 H SER 58 2.540 -9.785 -23.842 480 HA SER 58 HA SER 58 2.414 -10.607 -26.680 481 HB2 SER 58 HB2 SER 58 3.300 -8.350 -25.473 482 HB3 SER 58 HB3 SER 58 4.797 -9.295 -25.472 483 HG SER 58 HG SER 58 4.219 -7.884 -27.402 484 H GLU 59 H GLU 59 3.754 -11.631 -23.701 485 HA GLU 59 HA GLU 59 5.902 -13.319 -24.861 486 HB2 GLU 59 HB2 GLU 59 6.380 -12.151 -22.759 487 HB3 GLU 59 HB3 GLU 59 4.993 -12.892 -21.971 488 HG2 GLU 59 HG2 GLU 59 6.008 -15.060 -22.005 489 HG3 GLU 59 HG3 GLU 59 7.225 -14.559 -23.171 490 H GLU 60 H GLU 60 5.804 -15.620 -24.681 491 HA GLU 60 HA GLU 60 3.150 -16.835 -24.085 492 HB2 GLU 60 HB2 GLU 60 3.760 -16.194 -26.623 493 HB3 GLU 60 HB3 GLU 60 4.736 -17.657 -26.511 494 HG2 GLU 60 HG2 GLU 60 2.524 -18.774 -25.653 495 HG3 GLU 60 HG3 GLU 60 1.725 -17.332 -26.279 496 H GLU 61 H GLU 61 6.328 -16.753 -23.284 497 HA GLU 61 HA GLU 61 6.493 -19.599 -22.483 498 HB2 GLU 61 HB2 GLU 61 8.609 -17.882 -23.851 499 HB3 GLU 61 HB3 GLU 61 8.963 -19.404 -23.076 500 HG2 GLU 61 HG2 GLU 61 6.944 -19.256 -25.353 501 HG3 GLU 61 HG3 GLU 61 8.651 -19.214 -25.668 502 H SER 62 H SER 62 5.921 -18.867 -20.314 503 HA SER 62 HA SER 62 8.040 -17.285 -18.985 504 HB2 SER 62 HB2 SER 62 5.629 -16.098 -19.710 505 HB3 SER 62 HB3 SER 62 5.281 -16.677 -18.080 506 HG SER 62 HG SER 62 6.946 -14.661 -19.010 Start of MODEL 15 1 H1 MET 1 H MET 1 1.819 -0.522 0.900 2 HA MET 1 HA MET 1 0.292 0.708 -1.320 3 HB2 MET 1 HB2 MET 1 2.317 1.981 -0.610 4 HB3 MET 1 HB3 MET 1 3.296 0.529 -0.856 5 HG2 MET 1 HG2 MET 1 2.617 0.560 -3.288 6 HG3 MET 1 HG3 MET 1 1.807 2.104 -2.983 7 HE1 MET 1 HE1 MET 1 3.136 3.370 -4.829 8 HE2 MET 1 HE2 MET 1 4.892 3.207 -5.068 9 HE3 MET 1 HE3 MET 1 3.830 1.794 -5.273 10 H LYS 2 H LYS 2 0.137 -0.491 -3.236 11 HA LYS 2 HA LYS 2 1.470 -3.163 -3.372 12 HB2 LYS 2 HB2 LYS 2 -1.426 -2.397 -3.905 13 HB3 LYS 2 HB3 LYS 2 -0.698 -3.887 -4.533 14 HG2 LYS 2 HG2 LYS 2 -0.086 -4.622 -2.279 15 HG3 LYS 2 HG3 LYS 2 -0.756 -3.146 -1.571 16 HD2 LYS 2 HD2 LYS 2 -2.361 -5.265 -3.064 17 HD3 LYS 2 HD3 LYS 2 -2.228 -5.055 -1.304 18 HE2 LYS 2 HE2 LYS 2 -3.030 -2.602 -1.794 19 HE3 LYS 2 HE3 LYS 2 -3.600 -3.279 -3.325 20 HZ1 LYS 2 HZ1 LYS 2 -4.890 -4.913 -1.898 21 HZ2 LYS 2 HZ2 LYS 2 -5.335 -3.333 -1.771 22 HZ3 LYS 2 HZ3 LYS 2 -4.416 -4.040 -0.598 23 H ASN 3 H ASN 3 1.092 -3.987 -5.773 24 HA ASN 3 HA ASN 3 1.502 -1.883 -7.714 25 HB2 ASN 3 HB2 ASN 3 3.528 -2.653 -8.574 26 HB3 ASN 3 HB3 ASN 3 3.831 -2.681 -6.850 27 HD21 ASN 3 HD21 ASN 3 3.784 -4.812 -5.749 28 HD22 ASN 3 HD22 ASN 3 3.850 -6.293 -6.692 29 H ALA 4 H ALA 4 1.425 -2.829 -9.890 30 HA ALA 4 HA ALA 4 -0.880 -4.140 -10.444 31 HB1 ALA 4 HB1 ALA 4 0.416 -3.107 -12.220 32 HB2 ALA 4 HB2 ALA 4 1.765 -4.244 -11.983 33 HB3 ALA 4 HB3 ALA 4 0.224 -4.813 -12.634 34 H ALA 5 H ALA 5 2.279 -5.929 -10.241 35 HA ALA 5 HA ALA 5 1.221 -8.464 -10.794 36 HB1 ALA 5 HB1 ALA 5 3.257 -9.324 -9.713 37 HB2 ALA 5 HB2 ALA 5 3.706 -7.839 -10.600 38 HB3 ALA 5 HB3 ALA 5 3.484 -7.814 -8.830 39 H LYS 6 H LYS 6 1.496 -6.639 -7.714 40 HA LYS 6 HA LYS 6 0.995 -8.801 -5.982 41 HB2 LYS 6 HB2 LYS 6 1.370 -5.996 -5.816 42 HB3 LYS 6 HB3 LYS 6 -0.176 -6.262 -5.050 43 HG2 LYS 6 HG2 LYS 6 2.531 -7.448 -4.301 44 HG3 LYS 6 HG3 LYS 6 1.577 -6.290 -3.399 45 HD2 LYS 6 HD2 LYS 6 1.040 -9.264 -3.752 46 HD3 LYS 6 HD3 LYS 6 1.401 -8.356 -2.281 47 HE2 LYS 6 HE2 LYS 6 -0.797 -7.006 -3.153 48 HE3 LYS 6 HE3 LYS 6 -1.147 -8.602 -3.819 49 HZ1 LYS 6 HZ1 LYS 6 -0.998 -9.501 -1.583 50 HZ2 LYS 6 HZ2 LYS 6 -2.024 -8.230 -1.552 51 HZ3 LYS 6 HZ3 LYS 6 -0.496 -8.039 -0.976 52 H ILE 7 H ILE 7 -1.304 -6.515 -7.469 53 HA ILE 7 HA ILE 7 -3.583 -7.831 -6.310 54 HB ILE 7 HB ILE 7 -3.941 -6.099 -8.733 55 HG12 ILE 7 HG12 ILE 7 -4.059 -4.263 -6.645 56 HG13 ILE 7 HG13 ILE 7 -2.629 -5.182 -6.207 57 HG21 ILE 7 HG21 ILE 7 -5.905 -7.109 -7.607 58 HG22 ILE 7 HG22 ILE 7 -5.438 -6.322 -6.090 59 HG23 ILE 7 HG23 ILE 7 -5.919 -5.339 -7.483 60 HD11 ILE 7 HD11 ILE 7 -3.275 -3.642 -8.730 61 HD12 ILE 7 HD12 ILE 7 -1.936 -3.360 -7.594 62 HD13 ILE 7 HD13 ILE 7 -1.933 -4.794 -8.667 63 H VAL 8 H VAL 8 -1.779 -8.337 -9.312 64 HA VAL 8 HA VAL 8 -3.843 -9.872 -10.644 65 HB VAL 8 HB VAL 8 -0.809 -9.974 -10.863 66 HG11 VAL 8 HG11 VAL 8 -2.957 -11.379 -12.509 67 HG12 VAL 8 HG12 VAL 8 -1.256 -11.239 -13.008 68 HG13 VAL 8 HG13 VAL 8 -1.683 -12.153 -11.562 69 HG21 VAL 8 HG21 VAL 8 -2.848 -8.938 -12.881 70 HG22 VAL 8 HG22 VAL 8 -2.064 -7.887 -11.714 71 HG23 VAL 8 HG23 VAL 8 -1.096 -8.736 -12.920 72 H ASN 9 H ASN 9 -1.045 -10.906 -8.650 73 HA ASN 9 HA ASN 9 -1.707 -13.625 -8.503 74 HB2 ASN 9 HB2 ASN 9 0.251 -13.587 -7.495 75 HB3 ASN 9 HB3 ASN 9 0.203 -11.832 -7.379 76 HD21 ASN 9 HD21 ASN 9 -0.507 -10.867 -5.380 77 HD22 ASN 9 HD22 ASN 9 -0.343 -11.837 -3.906 78 H GLU 10 H GLU 10 -2.929 -10.934 -6.511 79 HA GLU 10 HA GLU 10 -4.178 -12.710 -4.627 80 HB2 GLU 10 HB2 GLU 10 -4.628 -10.932 -3.440 81 HB3 GLU 10 HB3 GLU 10 -3.442 -10.164 -4.489 82 HG2 GLU 10 HG2 GLU 10 -5.353 -9.238 -5.841 83 HG3 GLU 10 HG3 GLU 10 -6.460 -10.019 -4.702 84 H ALA 11 H ALA 11 -5.162 -11.091 -7.634 85 HA ALA 11 HA ALA 11 -7.951 -11.758 -7.439 86 HB1 ALA 11 HB1 ALA 11 -7.896 -11.430 -9.967 87 HB2 ALA 11 HB2 ALA 11 -7.275 -10.066 -9.012 88 HB3 ALA 11 HB3 ALA 11 -6.162 -11.165 -9.835 89 H LEU 12 H LEU 12 -5.110 -13.411 -8.872 90 HA LEU 12 HA LEU 12 -6.445 -15.739 -9.806 91 HB2 LEU 12 HB2 LEU 12 -3.672 -15.575 -8.571 92 HB3 LEU 12 HB3 LEU 12 -4.275 -16.923 -9.525 93 HG LEU 12 HG LEU 12 -3.794 -14.101 -10.524 94 HD11 LEU 12 HD11 LEU 12 -1.904 -14.989 -11.722 95 HD12 LEU 12 HD12 LEU 12 -2.206 -16.613 -11.093 96 HD13 LEU 12 HD13 LEU 12 -1.715 -15.314 -9.998 97 HD21 LEU 12 HD21 LEU 12 -4.636 -16.623 -12.030 98 HD22 LEU 12 HD22 LEU 12 -4.205 -15.073 -12.781 99 HD23 LEU 12 HD23 LEU 12 -5.640 -15.192 -11.760 100 H ASN 13 H ASN 13 -5.193 -14.936 -6.567 101 HA ASN 13 HA ASN 13 -5.685 -17.449 -5.410 102 HB2 ASN 13 HB2 ASN 13 -5.111 -14.719 -4.347 103 HB3 ASN 13 HB3 ASN 13 -5.990 -15.773 -3.257 104 HD21 ASN 13 HD21 ASN 13 -2.795 -15.120 -4.519 105 HD22 ASN 13 HD22 ASN 13 -2.087 -16.567 -3.829 106 H GLN 14 H GLN 14 -7.919 -14.782 -5.995 107 HA GLN 14 HA GLN 14 -10.107 -16.162 -4.561 108 HB2 GLN 14 HB2 GLN 14 -9.691 -13.387 -5.632 109 HB3 GLN 14 HB3 GLN 14 -11.335 -14.013 -5.481 110 HG2 GLN 14 HG2 GLN 14 -10.871 -12.858 -3.470 111 HG3 GLN 14 HG3 GLN 14 -10.934 -14.575 -3.100 112 HE21 GLN 14 HE21 GLN 14 -8.773 -11.783 -3.529 113 HE22 GLN 14 HE22 GLN 14 -7.429 -12.459 -2.644 114 H GLY 15 H GLY 15 -8.674 -16.823 -7.361 115 HA2 GLY 15 HA2 GLY 15 -9.278 -18.074 -9.127 116 HA3 GLY 15 HA3 GLY 15 -10.947 -18.134 -8.510 117 H ILE 16 H ILE 16 -8.886 -15.318 -9.424 118 HA ILE 16 HA ILE 16 -10.752 -14.689 -11.650 119 HB ILE 16 HB ILE 16 -9.551 -12.900 -9.547 120 HG12 ILE 16 HG12 ILE 16 -12.545 -13.067 -9.965 121 HG13 ILE 16 HG13 ILE 16 -11.807 -14.406 -9.128 122 HG21 ILE 16 HG21 ILE 16 -11.287 -12.125 -11.912 123 HG22 ILE 16 HG22 ILE 16 -10.868 -11.081 -10.536 124 HG23 ILE 16 HG23 ILE 16 -9.590 -11.650 -11.600 125 HD11 ILE 16 HD11 ILE 16 -10.701 -12.704 -7.595 126 HD12 ILE 16 HD12 ILE 16 -11.918 -11.564 -8.263 127 HD13 ILE 16 HD13 ILE 16 -12.427 -13.037 -7.416 128 H THR 17 H THR 17 -9.766 -14.300 -13.482 129 HA THR 17 HA THR 17 -6.835 -14.085 -13.654 130 HB THR 17 HB THR 17 -9.053 -14.566 -15.694 131 HG1 THR 17 HG1 THR 17 -7.243 -16.492 -14.745 132 HG21 THR 17 HG21 THR 17 -7.056 -13.593 -16.691 133 HG22 THR 17 HG22 THR 17 -7.207 -15.298 -17.164 134 HG23 THR 17 HG23 THR 17 -6.038 -14.812 -15.899 135 H LEU 18 H LEU 18 -6.052 -12.005 -13.766 136 HA LEU 18 HA LEU 18 -7.816 -9.850 -14.862 137 HB2 LEU 18 HB2 LEU 18 -5.080 -9.848 -13.537 138 HB3 LEU 18 HB3 LEU 18 -5.743 -8.473 -14.446 139 HG LEU 18 HG LEU 18 -7.149 -9.676 -12.040 140 HD11 LEU 18 HD11 LEU 18 -5.775 -6.987 -11.908 141 HD12 LEU 18 HD12 LEU 18 -4.751 -8.413 -11.822 142 HD13 LEU 18 HD13 LEU 18 -6.038 -8.226 -10.645 143 HD21 LEU 18 HD21 LEU 18 -8.783 -8.492 -13.154 144 HD22 LEU 18 HD22 LEU 18 -7.646 -7.370 -13.931 145 HD23 LEU 18 HD23 LEU 18 -8.060 -7.140 -12.252 146 H PHE 19 H PHE 19 -7.533 -9.192 -16.949 147 HA PHE 19 HA PHE 19 -5.062 -9.634 -18.431 148 HB2 PHE 19 HB2 PHE 19 -6.020 -10.908 -20.152 149 HB3 PHE 19 HB3 PHE 19 -6.589 -11.735 -18.688 150 HD1 PHE 19 HD1 PHE 19 -7.545 -9.717 -21.621 151 HD2 PHE 19 HD2 PHE 19 -9.009 -11.512 -17.979 152 HE1 PHE 19 HE1 PHE 19 -9.856 -9.464 -22.432 153 HE2 PHE 19 HE2 PHE 19 -11.328 -10.996 -18.705 154 HZ PHE 19 HZ PHE 19 -11.761 -10.065 -20.960 155 H VAL 20 H VAL 20 -5.182 -7.978 -20.262 156 HA VAL 20 HA VAL 20 -7.327 -5.902 -19.853 157 HB VAL 20 HB VAL 20 -4.654 -6.041 -20.947 158 HG11 VAL 20 HG11 VAL 20 -5.943 -4.232 -22.079 159 HG12 VAL 20 HG12 VAL 20 -5.849 -3.363 -20.525 160 HG13 VAL 20 HG13 VAL 20 -4.380 -3.837 -21.417 161 HG21 VAL 20 HG21 VAL 20 -4.568 -6.251 -18.482 162 HG22 VAL 20 HG22 VAL 20 -3.531 -5.114 -19.280 163 HG23 VAL 20 HG23 VAL 20 -5.007 -4.531 -18.443 164 H SER 21 H SER 21 -8.433 -5.182 -21.616 165 HA SER 21 HA SER 21 -7.975 -6.443 -24.239 166 HB2 SER 21 HB2 SER 21 -10.039 -7.299 -22.621 167 HB3 SER 21 HB3 SER 21 -10.819 -5.976 -23.505 168 HG SER 21 HG SER 21 -9.357 -8.171 -24.607 169 H ASP 22 H ASP 22 -8.065 -4.928 -25.778 170 HA ASP 22 HA ASP 22 -7.842 -2.887 -26.730 171 HB2 ASP 22 HB2 ASP 22 -10.418 -2.038 -25.369 172 HB3 ASP 22 HB3 ASP 22 -9.851 -1.702 -27.009 173 H ASN 23 H ASN 23 -6.325 -2.954 -24.463 174 HA ASN 23 HA ASN 23 -5.119 -1.555 -23.110 175 HB2 ASN 23 HB2 ASN 23 -5.584 -0.100 -25.367 176 HB3 ASN 23 HB3 ASN 23 -6.428 0.929 -24.224 177 HD21 ASN 23 HD21 ASN 23 -3.461 -0.926 -24.603 178 HD22 ASN 23 HD22 ASN 23 -2.358 0.206 -23.806 179 H LYS 24 H LYS 24 -7.661 -2.609 -22.215 180 HA LYS 24 HA LYS 24 -8.128 -0.654 -20.083 181 HB2 LYS 24 HB2 LYS 24 -9.932 -0.561 -21.931 182 HB3 LYS 24 HB3 LYS 24 -10.347 -2.204 -21.515 183 HG2 LYS 24 HG2 LYS 24 -11.824 -0.593 -20.343 184 HG3 LYS 24 HG3 LYS 24 -10.888 -1.532 -19.209 185 HD2 LYS 24 HD2 LYS 24 -11.073 0.759 -18.503 186 HD3 LYS 24 HD3 LYS 24 -9.398 0.374 -18.758 187 HE2 LYS 24 HE2 LYS 24 -11.200 2.014 -20.599 188 HE3 LYS 24 HE3 LYS 24 -10.017 2.638 -19.451 189 HZ1 LYS 24 HZ1 LYS 24 -8.367 1.260 -20.964 190 HZ2 LYS 24 HZ2 LYS 24 -8.823 2.757 -21.325 191 HZ3 LYS 24 HZ3 LYS 24 -9.552 1.491 -22.071 192 H LEU 25 H LEU 25 -7.861 -1.577 -18.220 193 HA LEU 25 HA LEU 25 -7.021 -4.279 -17.886 194 HB2 LEU 25 HB2 LEU 25 -6.485 -2.544 -16.256 195 HB3 LEU 25 HB3 LEU 25 -8.197 -2.262 -15.931 196 HG LEU 25 HG LEU 25 -8.422 -4.554 -15.008 197 HD11 LEU 25 HD11 LEU 25 -6.877 -5.935 -16.126 198 HD12 LEU 25 HD12 LEU 25 -6.198 -5.765 -14.512 199 HD13 LEU 25 HD13 LEU 25 -5.523 -4.801 -15.837 200 HD21 LEU 25 HD21 LEU 25 -7.191 -4.172 -13.016 201 HD22 LEU 25 HD22 LEU 25 -7.839 -2.639 -13.614 202 HD23 LEU 25 HD23 LEU 25 -6.127 -3.001 -13.838 203 H LYS 26 H LYS 26 -8.151 -6.045 -18.212 204 HA LYS 26 HA LYS 26 -11.088 -5.933 -17.441 205 HB2 LYS 26 HB2 LYS 26 -9.726 -7.094 -19.829 206 HB3 LYS 26 HB3 LYS 26 -10.762 -8.213 -18.975 207 HG2 LYS 26 HG2 LYS 26 -12.120 -7.212 -20.597 208 HG3 LYS 26 HG3 LYS 26 -12.596 -6.548 -19.028 209 HD2 LYS 26 HD2 LYS 26 -11.176 -4.506 -19.549 210 HD3 LYS 26 HD3 LYS 26 -10.729 -5.242 -21.078 211 HE2 LYS 26 HE2 LYS 26 -12.400 -3.630 -21.531 212 HE3 LYS 26 HE3 LYS 26 -13.140 -5.214 -21.771 213 HZ1 LYS 26 HZ1 LYS 26 -14.359 -3.421 -20.476 214 HZ2 LYS 26 HZ2 LYS 26 -13.409 -3.748 -19.213 215 HZ3 LYS 26 HZ3 LYS 26 -14.393 -4.938 -19.816 216 H TYR 27 H TYR 27 -11.901 -8.213 -16.877 217 HA TYR 27 HA TYR 27 -10.034 -9.789 -15.297 218 HB2 TYR 27 HB2 TYR 27 -11.042 -9.429 -13.163 219 HB3 TYR 27 HB3 TYR 27 -10.912 -7.857 -13.864 220 HD1 TYR 27 HD1 TYR 27 -12.927 -6.597 -14.662 221 HD2 TYR 27 HD2 TYR 27 -13.199 -10.520 -12.891 222 HE1 TYR 27 HE1 TYR 27 -15.276 -6.164 -14.094 223 HE2 TYR 27 HE2 TYR 27 -15.568 -10.125 -12.382 224 HH TYR 27 HH TYR 27 -17.118 -8.503 -12.089 225 H LYS 28 H LYS 28 -10.771 -11.912 -15.040 226 HA LYS 28 HA LYS 28 -13.367 -12.768 -16.260 227 HB2 LYS 28 HB2 LYS 28 -10.535 -13.470 -16.976 228 HB3 LYS 28 HB3 LYS 28 -11.616 -14.831 -16.800 229 HG2 LYS 28 HG2 LYS 28 -12.717 -12.614 -18.441 230 HG3 LYS 28 HG3 LYS 28 -11.255 -13.362 -19.081 231 HD2 LYS 28 HD2 LYS 28 -13.698 -14.966 -18.276 232 HD3 LYS 28 HD3 LYS 28 -13.441 -14.308 -19.903 233 HE2 LYS 28 HE2 LYS 28 -11.207 -15.450 -19.974 234 HE3 LYS 28 HE3 LYS 28 -11.571 -16.233 -18.441 235 HZ1 LYS 28 HZ1 LYS 28 -13.200 -16.535 -20.900 236 HZ2 LYS 28 HZ2 LYS 28 -13.441 -17.351 -19.508 237 HZ3 LYS 28 HZ3 LYS 28 -12.062 -17.611 -20.363 238 H THR 29 H THR 29 -14.364 -14.477 -15.026 239 HA THR 29 HA THR 29 -12.797 -16.020 -13.137 240 HB THR 29 HB THR 29 -12.902 -14.012 -11.875 241 HG1 THR 29 HG1 THR 29 -13.079 -15.654 -10.570 242 HG21 THR 29 HG21 THR 29 -15.118 -13.061 -11.117 243 HG22 THR 29 HG22 THR 29 -15.865 -13.943 -12.477 244 HG23 THR 29 HG23 THR 29 -14.610 -12.702 -12.779 245 H ASN 30 H ASN 30 -14.683 -17.098 -11.656 246 HA ASN 30 HA ASN 30 -16.603 -18.305 -13.602 247 HB2 ASN 30 HB2 ASN 30 -14.577 -19.681 -12.618 248 HB3 ASN 30 HB3 ASN 30 -15.576 -19.776 -11.167 249 HD21 ASN 30 HD21 ASN 30 -15.481 -20.440 -14.684 250 HD22 ASN 30 HD22 ASN 30 -16.702 -21.698 -14.656 251 H ARG 31 H ARG 31 -16.286 -16.366 -10.809 252 HA ARG 31 HA ARG 31 -19.090 -16.828 -10.039 253 HB2 ARG 31 HB2 ARG 31 -18.528 -16.659 -7.730 254 HB3 ARG 31 HB3 ARG 31 -17.637 -18.002 -8.445 255 HG2 ARG 31 HG2 ARG 31 -16.229 -15.339 -8.170 256 HG3 ARG 31 HG3 ARG 31 -16.537 -16.262 -6.713 257 HD2 ARG 31 HD2 ARG 31 -15.142 -17.458 -9.134 258 HD3 ARG 31 HD3 ARG 31 -14.294 -16.633 -7.833 259 HE ARG 31 HE ARG 31 -15.855 -19.182 -7.619 260 HH11 ARG 31 HH11 ARG 31 -13.308 -17.072 -6.226 261 HH12 ARG 31 HH12 ARG 31 -13.217 -17.981 -4.774 262 HH21 ARG 31 HH21 ARG 31 -15.542 -20.470 -5.783 263 HH22 ARG 31 HH22 ARG 31 -14.398 -20.023 -4.562 264 H ASP 32 H ASP 32 -19.973 -14.930 -8.980 265 HA ASP 32 HA ASP 32 -18.673 -12.402 -9.916 266 HB2 ASP 32 HB2 ASP 32 -21.587 -13.150 -9.494 267 HB3 ASP 32 HB3 ASP 32 -21.029 -11.520 -9.843 268 H SER 33 H SER 33 -19.480 -14.182 -7.162 269 HA SER 33 HA SER 33 -20.026 -12.005 -5.341 270 HB2 SER 33 HB2 SER 33 -19.302 -14.915 -4.988 271 HB3 SER 33 HB3 SER 33 -19.854 -13.830 -3.681 272 HG SER 33 HG SER 33 -21.561 -13.495 -5.648 273 H ILE 34 H ILE 34 -17.525 -11.903 -6.846 274 HA ILE 34 HA ILE 34 -15.242 -12.261 -5.180 275 HB ILE 34 HB ILE 34 -14.073 -11.032 -6.929 276 HG12 ILE 34 HG12 ILE 34 -15.671 -10.265 -8.923 277 HG13 ILE 34 HG13 ILE 34 -16.812 -9.957 -7.640 278 HG21 ILE 34 HG21 ILE 34 -14.551 -12.519 -8.728 279 HG22 ILE 34 HG22 ILE 34 -14.948 -13.397 -7.263 280 HG23 ILE 34 HG23 ILE 34 -16.243 -12.702 -8.266 281 HD11 ILE 34 HD11 ILE 34 -15.278 -8.347 -6.612 282 HD12 ILE 34 HD12 ILE 34 -13.974 -8.799 -7.742 283 HD13 ILE 34 HD13 ILE 34 -15.437 -7.999 -8.339 284 HA PRO 35 HA PRO 35 -15.479 -8.767 -2.508 285 HB2 PRO 35 HB2 PRO 35 -12.885 -8.115 -2.039 286 HB3 PRO 35 HB3 PRO 35 -13.569 -9.684 -1.505 287 HG2 PRO 35 HG2 PRO 35 -12.014 -9.105 -4.032 288 HG3 PRO 35 HG3 PRO 35 -11.677 -10.380 -2.832 289 HD2 PRO 35 HD2 PRO 35 -13.102 -10.898 -5.067 290 HD3 PRO 35 HD3 PRO 35 -13.582 -11.616 -3.505 291 H SER 36 H SER 36 -15.913 -6.593 -2.773 292 HA SER 36 HA SER 36 -15.457 -5.266 -5.236 293 HB2 SER 36 HB2 SER 36 -16.202 -4.294 -2.464 294 HB3 SER 36 HB3 SER 36 -15.870 -3.143 -3.759 295 HG SER 36 HG SER 36 -17.653 -3.503 -4.606 296 H GLU 37 H GLU 37 -13.270 -5.706 -2.514 297 HA GLU 37 HA GLU 37 -11.680 -3.419 -2.919 298 HB2 GLU 37 HB2 GLU 37 -10.087 -4.340 -1.573 299 HB3 GLU 37 HB3 GLU 37 -11.566 -5.134 -0.998 300 HG2 GLU 37 HG2 GLU 37 -10.890 -7.157 -2.335 301 HG3 GLU 37 HG3 GLU 37 -9.401 -6.311 -2.804 302 H LEU 38 H LEU 38 -11.885 -6.427 -4.763 303 HA LEU 38 HA LEU 38 -9.422 -5.985 -6.242 304 HB2 LEU 38 HB2 LEU 38 -11.762 -7.855 -6.373 305 HB3 LEU 38 HB3 LEU 38 -10.946 -7.582 -7.899 306 HG LEU 38 HG LEU 38 -8.866 -8.418 -7.106 307 HD11 LEU 38 HD11 LEU 38 -8.588 -7.449 -4.866 308 HD12 LEU 38 HD12 LEU 38 -8.506 -9.201 -4.721 309 HD13 LEU 38 HD13 LEU 38 -9.983 -8.349 -4.254 310 HD21 LEU 38 HD21 LEU 38 -10.509 -10.111 -7.576 311 HD22 LEU 38 HD22 LEU 38 -11.114 -10.081 -5.905 312 HD23 LEU 38 HD23 LEU 38 -9.481 -10.674 -6.244 313 H LEU 39 H LEU 39 -12.875 -5.428 -6.982 314 HA LEU 39 HA LEU 39 -12.490 -4.148 -9.465 315 HB2 LEU 39 HB2 LEU 39 -14.589 -3.638 -7.308 316 HB3 LEU 39 HB3 LEU 39 -14.702 -3.007 -8.938 317 HG LEU 39 HG LEU 39 -14.520 -5.977 -8.378 318 HD11 LEU 39 HD11 LEU 39 -16.999 -6.010 -8.654 319 HD12 LEU 39 HD12 LEU 39 -17.013 -4.233 -8.658 320 HD13 LEU 39 HD13 LEU 39 -16.499 -5.120 -7.216 321 HD21 LEU 39 HD21 LEU 39 -15.701 -4.498 -10.761 322 HD22 LEU 39 HD22 LEU 39 -15.437 -6.236 -10.599 323 HD23 LEU 39 HD23 LEU 39 -14.050 -5.150 -10.734 324 H GLU 40 H GLU 40 -12.158 -2.868 -6.237 325 HA GLU 40 HA GLU 40 -11.984 -0.106 -7.106 326 HB2 GLU 40 HB2 GLU 40 -11.555 -1.487 -4.429 327 HB3 GLU 40 HB3 GLU 40 -11.483 0.256 -4.636 328 HG2 GLU 40 HG2 GLU 40 -13.973 -1.286 -5.521 329 HG3 GLU 40 HG3 GLU 40 -13.705 -0.926 -3.853 330 H GLU 41 H GLU 41 -9.644 -2.494 -5.680 331 HA GLU 41 HA GLU 41 -7.400 -0.819 -5.863 332 HB2 GLU 41 HB2 GLU 41 -7.726 -3.067 -4.589 333 HB3 GLU 41 HB3 GLU 41 -7.240 -3.837 -6.112 334 HG2 GLU 41 HG2 GLU 41 -5.308 -3.640 -4.705 335 HG3 GLU 41 HG3 GLU 41 -5.111 -2.433 -5.969 336 H TRP 42 H TRP 42 -8.918 -3.004 -8.215 337 HA TRP 42 HA TRP 42 -6.863 -3.009 -10.177 338 HB2 TRP 42 HB2 TRP 42 -9.884 -3.164 -10.344 339 HB3 TRP 42 HB3 TRP 42 -8.876 -3.355 -11.742 340 HD1 TRP 42 HD1 TRP 42 -6.769 -5.139 -9.581 341 HE1 TRP 42 HE1 TRP 42 -7.373 -7.570 -9.173 342 HE3 TRP 42 HE3 TRP 42 -11.568 -5.065 -11.342 343 HZ2 TRP 42 HZ2 TRP 42 -9.612 -9.326 -9.683 344 HZ3 TRP 42 HZ3 TRP 42 -12.929 -7.139 -11.349 345 HH2 TRP 42 HH2 TRP 42 -11.959 -9.252 -10.531 346 H LYS 43 H LYS 43 -9.394 -0.685 -9.405 347 HA LYS 43 HA LYS 43 -8.870 0.984 -11.764 348 HB2 LYS 43 HB2 LYS 43 -11.093 0.849 -10.650 349 HB3 LYS 43 HB3 LYS 43 -10.401 1.576 -9.200 350 HG2 LYS 43 HG2 LYS 43 -9.857 3.642 -10.495 351 HG3 LYS 43 HG3 LYS 43 -10.590 2.897 -11.932 352 HD2 LYS 43 HD2 LYS 43 -12.699 2.591 -10.583 353 HD3 LYS 43 HD3 LYS 43 -11.920 3.463 -9.257 354 HE2 LYS 43 HE2 LYS 43 -11.654 5.447 -10.779 355 HE3 LYS 43 HE3 LYS 43 -12.580 4.564 -12.012 356 HZ1 LYS 43 HZ1 LYS 43 -14.379 4.398 -10.320 357 HZ2 LYS 43 HZ2 LYS 43 -14.076 5.931 -10.821 358 HZ3 LYS 43 HZ3 LYS 43 -13.546 5.402 -9.343 359 H GLN 44 H GLN 44 -7.930 0.876 -8.332 360 HA GLN 44 HA GLN 44 -6.655 3.414 -8.211 361 HB2 GLN 44 HB2 GLN 44 -6.157 0.857 -6.631 362 HB3 GLN 44 HB3 GLN 44 -5.395 2.393 -6.257 363 HG2 GLN 44 HG2 GLN 44 -7.478 3.444 -5.711 364 HG3 GLN 44 HG3 GLN 44 -8.426 2.155 -6.395 365 HE21 GLN 44 HE21 GLN 44 -5.710 2.189 -4.009 366 HE22 GLN 44 HE22 GLN 44 -6.610 1.313 -2.807 367 H HIS 45 H HIS 45 -5.479 0.193 -9.182 368 HA HIS 45 HA HIS 45 -2.945 1.432 -10.082 369 HB2 HIS 45 HB2 HIS 45 -3.678 -1.405 -9.317 370 HB3 HIS 45 HB3 HIS 45 -2.121 -0.963 -9.991 371 HD1 HIS 45 HD1 HIS 45 -0.450 0.558 -8.391 372 HD2 HIS 45 HD2 HIS 45 -4.084 -0.833 -6.750 373 HE1 HIS 45 HE1 HIS 45 -0.236 0.733 -5.874 374 H LYS 46 H LYS 46 -5.625 1.272 -11.650 375 HA LYS 46 HA LYS 46 -5.470 -0.668 -13.641 376 HB2 LYS 46 HB2 LYS 46 -6.845 0.830 -15.078 377 HB3 LYS 46 HB3 LYS 46 -7.468 0.558 -13.475 378 HG2 LYS 46 HG2 LYS 46 -7.803 2.752 -13.407 379 HG3 LYS 46 HG3 LYS 46 -6.086 2.876 -13.017 380 HD2 LYS 46 HD2 LYS 46 -5.634 3.228 -15.487 381 HD3 LYS 46 HD3 LYS 46 -7.400 3.248 -15.725 382 HE2 LYS 46 HE2 LYS 46 -7.555 5.036 -13.955 383 HE3 LYS 46 HE3 LYS 46 -5.788 5.079 -13.867 384 HZ1 LYS 46 HZ1 LYS 46 -7.387 5.631 -16.293 385 HZ2 LYS 46 HZ2 LYS 46 -5.738 5.848 -16.148 386 HZ3 LYS 46 HZ3 LYS 46 -6.785 6.778 -15.321 387 H GLN 47 H GLN 47 -3.852 2.460 -13.627 388 HA GLN 47 HA GLN 47 -2.987 2.375 -16.294 389 HB2 GLN 47 HB2 GLN 47 -2.988 4.388 -14.836 390 HB3 GLN 47 HB3 GLN 47 -1.674 3.698 -13.881 391 HG2 GLN 47 HG2 GLN 47 -0.879 5.376 -15.548 392 HG3 GLN 47 HG3 GLN 47 -0.176 3.789 -15.867 393 HE21 GLN 47 HE21 GLN 47 -0.898 2.603 -17.772 394 HE22 GLN 47 HE22 GLN 47 -1.873 3.411 -19.009 395 H GLU 48 H GLU 48 -1.255 1.285 -13.333 396 HA GLU 48 HA GLU 48 0.983 0.277 -14.897 397 HB2 GLU 48 HB2 GLU 48 1.803 -0.571 -12.734 398 HB3 GLU 48 HB3 GLU 48 1.403 1.151 -12.705 399 HG2 GLU 48 HG2 GLU 48 -0.786 0.612 -11.631 400 HG3 GLU 48 HG3 GLU 48 -0.325 -1.096 -11.571 401 H LEU 49 H LEU 49 -1.982 -1.124 -13.505 402 HA LEU 49 HA LEU 49 -1.280 -3.861 -13.805 403 HB2 LEU 49 HB2 LEU 49 -3.886 -2.343 -13.727 404 HB3 LEU 49 HB3 LEU 49 -3.915 -4.043 -14.153 405 HG LEU 49 HG LEU 49 -2.527 -3.117 -11.616 406 HD11 LEU 49 HD11 LEU 49 -4.947 -2.383 -11.642 407 HD12 LEU 49 HD12 LEU 49 -4.556 -3.549 -10.378 408 HD13 LEU 49 HD13 LEU 49 -5.391 -4.103 -11.819 409 HD21 LEU 49 HD21 LEU 49 -3.777 -5.772 -12.516 410 HD22 LEU 49 HD22 LEU 49 -3.029 -5.474 -10.937 411 HD23 LEU 49 HD23 LEU 49 -2.046 -5.440 -12.406 412 H ILE 50 H ILE 50 -2.656 -1.543 -16.091 413 HA ILE 50 HA ILE 50 -3.151 -3.452 -18.174 414 HB ILE 50 HB ILE 50 -2.837 -0.416 -18.161 415 HG12 ILE 50 HG12 ILE 50 -5.216 -2.226 -18.744 416 HG13 ILE 50 HG13 ILE 50 -4.822 -1.646 -17.140 417 HG21 ILE 50 HG21 ILE 50 -2.062 -1.117 -20.376 418 HG22 ILE 50 HG22 ILE 50 -3.509 -2.115 -20.573 419 HG23 ILE 50 HG23 ILE 50 -3.646 -0.348 -20.485 420 HD11 ILE 50 HD11 ILE 50 -6.532 -0.249 -18.024 421 HD12 ILE 50 HD12 ILE 50 -5.035 0.707 -17.939 422 HD13 ILE 50 HD13 ILE 50 -5.610 0.033 -19.509 423 H ASP 51 H ASP 51 -0.479 -1.202 -17.491 424 HA ASP 51 HA ASP 51 1.216 -1.845 -19.599 425 HB2 ASP 51 HB2 ASP 51 1.255 0.024 -17.834 426 HB3 ASP 51 HB3 ASP 51 2.062 -1.116 -16.772 427 H PHE 52 H PHE 52 1.069 -3.325 -16.350 428 HA PHE 52 HA PHE 52 3.245 -5.126 -16.721 429 HB2 PHE 52 HB2 PHE 52 2.505 -4.263 -14.572 430 HB3 PHE 52 HB3 PHE 52 0.898 -4.951 -14.812 431 HD1 PHE 52 HD1 PHE 52 4.504 -5.823 -14.397 432 HD2 PHE 52 HD2 PHE 52 0.454 -7.260 -14.369 433 HE1 PHE 52 HE1 PHE 52 5.258 -7.934 -13.285 434 HE2 PHE 52 HE2 PHE 52 1.212 -9.384 -13.281 435 HZ PHE 52 HZ PHE 52 3.595 -9.684 -12.711 436 H LEU 53 H LEU 53 -0.281 -5.372 -17.227 437 HA LEU 53 HA LEU 53 -0.136 -8.253 -17.577 438 HB2 LEU 53 HB2 LEU 53 -2.271 -6.204 -17.772 439 HB3 LEU 53 HB3 LEU 53 -2.576 -7.846 -18.347 440 HG LEU 53 HG LEU 53 -1.514 -7.318 -15.511 441 HD11 LEU 53 HD11 LEU 53 -3.678 -6.141 -15.867 442 HD12 LEU 53 HD12 LEU 53 -3.766 -7.455 -14.694 443 HD13 LEU 53 HD13 LEU 53 -4.421 -7.688 -16.341 444 HD21 LEU 53 HD21 LEU 53 -2.868 -9.697 -16.859 445 HD22 LEU 53 HD22 LEU 53 -2.596 -9.568 -15.113 446 HD23 LEU 53 HD23 LEU 53 -1.223 -9.612 -16.212 447 H THR 54 H THR 54 -0.539 -5.441 -19.742 448 HA THR 54 HA THR 54 -0.678 -7.053 -22.068 449 HB THR 54 HB THR 54 -1.455 -4.716 -21.566 450 HG1 THR 54 HG1 THR 54 -0.242 -5.240 -24.059 451 HG21 THR 54 HG21 THR 54 -0.261 -2.813 -22.022 452 HG22 THR 54 HG22 THR 54 1.142 -3.722 -22.665 453 HG23 THR 54 HG23 THR 54 0.760 -3.774 -20.936 454 H GLN 55 H GLN 55 2.103 -5.934 -20.225 455 HA GLN 55 HA GLN 55 3.964 -6.380 -22.470 456 HB2 GLN 55 HB2 GLN 55 5.676 -5.743 -21.008 457 HB3 GLN 55 HB3 GLN 55 4.281 -4.733 -20.637 458 HG2 GLN 55 HG2 GLN 55 4.892 -5.304 -18.482 459 HG3 GLN 55 HG3 GLN 55 3.807 -6.623 -18.837 460 HE21 GLN 55 HE21 GLN 55 4.645 -8.624 -18.206 461 HE22 GLN 55 HE22 GLN 55 6.340 -9.022 -18.197 462 H LEU 56 H LEU 56 2.487 -8.271 -19.921 463 HA LEU 56 HA LEU 56 4.392 -10.466 -20.182 464 HB2 LEU 56 HB2 LEU 56 3.559 -11.216 -18.262 465 HB3 LEU 56 HB3 LEU 56 2.796 -9.646 -18.153 466 HG LEU 56 HG LEU 56 0.707 -10.747 -19.220 467 HD11 LEU 56 HD11 LEU 56 2.144 -13.272 -18.267 468 HD12 LEU 56 HD12 LEU 56 1.753 -12.905 -19.954 469 HD13 LEU 56 HD13 LEU 56 0.440 -13.132 -18.827 470 HD21 LEU 56 HD21 LEU 56 0.972 -10.092 -16.812 471 HD22 LEU 56 HD22 LEU 56 1.616 -11.713 -16.476 472 HD23 LEU 56 HD23 LEU 56 -0.055 -11.526 -17.049 473 H GLU 57 H GLU 57 1.153 -9.556 -21.348 474 HA GLU 57 HA GLU 57 0.603 -12.020 -22.676 475 HB2 GLU 57 HB2 GLU 57 -1.079 -10.411 -22.019 476 HB3 GLU 57 HB3 GLU 57 -0.484 -9.220 -23.183 477 HG2 GLU 57 HG2 GLU 57 -1.404 -10.298 -24.962 478 HG3 GLU 57 HG3 GLU 57 -1.144 -11.919 -24.303 479 H SER 58 H SER 58 2.964 -9.681 -23.446 480 HA SER 58 HA SER 58 3.041 -9.976 -26.327 481 HB2 SER 58 HB2 SER 58 4.042 -8.129 -24.791 482 HB3 SER 58 HB3 SER 58 5.331 -9.305 -24.469 483 HG SER 58 HG SER 58 5.837 -9.252 -26.701 484 H GLU 59 H GLU 59 3.915 -11.893 -23.642 485 HA GLU 59 HA GLU 59 6.088 -13.391 -24.817 486 HB2 GLU 59 HB2 GLU 59 5.492 -12.856 -22.316 487 HB3 GLU 59 HB3 GLU 59 4.601 -14.331 -22.351 488 HG2 GLU 59 HG2 GLU 59 7.527 -14.003 -23.207 489 HG3 GLU 59 HG3 GLU 59 7.066 -14.324 -21.552 490 H GLU 60 H GLU 60 5.790 -15.937 -24.787 491 HA GLU 60 HA GLU 60 3.448 -16.677 -26.454 492 HB2 GLU 60 HB2 GLU 60 6.351 -17.576 -26.378 493 HB3 GLU 60 HB3 GLU 60 5.103 -18.215 -27.451 494 HG2 GLU 60 HG2 GLU 60 5.770 -15.264 -27.581 495 HG3 GLU 60 HG3 GLU 60 6.879 -16.446 -28.269 496 H GLU 61 H GLU 61 3.500 -16.775 -23.525 497 HA GLU 61 HA GLU 61 4.287 -19.269 -22.466 498 HB2 GLU 61 HB2 GLU 61 3.088 -18.612 -20.509 499 HB3 GLU 61 HB3 GLU 61 3.733 -17.147 -21.240 500 HG2 GLU 61 HG2 GLU 61 1.406 -16.897 -22.374 501 HG3 GLU 61 HG3 GLU 61 0.858 -18.188 -21.298 502 H SER 62 H SER 62 1.605 -18.670 -24.528 503 HA SER 62 HA SER 62 0.522 -21.370 -24.059 504 HB2 SER 62 HB2 SER 62 -0.845 -19.848 -22.684 505 HB3 SER 62 HB3 SER 62 -1.096 -18.780 -24.073 506 HG SER 62 HG SER 62 -2.425 -20.178 -24.984 Start of MODEL 16 1 H1 MET 1 H MET 1 4.716 0.588 -1.005 2 HA MET 1 HA MET 1 1.781 0.635 -1.253 3 HB2 MET 1 HB2 MET 1 1.964 1.845 -3.320 4 HB3 MET 1 HB3 MET 1 2.614 2.796 -1.997 5 HG2 MET 1 HG2 MET 1 4.873 2.416 -2.738 6 HG3 MET 1 HG3 MET 1 4.377 1.174 -3.891 7 HE1 MET 1 HE1 MET 1 2.054 2.124 -5.626 8 HE2 MET 1 HE2 MET 1 2.909 3.056 -6.873 9 HE3 MET 1 HE3 MET 1 3.606 1.539 -6.264 10 H LYS 2 H LYS 2 0.887 -0.582 -2.866 11 HA LYS 2 HA LYS 2 2.481 -2.970 -3.664 12 HB2 LYS 2 HB2 LYS 2 -0.480 -2.340 -3.922 13 HB3 LYS 2 HB3 LYS 2 0.284 -3.879 -4.246 14 HG2 LYS 2 HG2 LYS 2 0.057 -4.459 -2.082 15 HG3 LYS 2 HG3 LYS 2 1.191 -3.220 -1.635 16 HD2 LYS 2 HD2 LYS 2 -0.754 -2.783 -0.344 17 HD3 LYS 2 HD3 LYS 2 -0.810 -1.594 -1.648 18 HE2 LYS 2 HE2 LYS 2 -2.202 -3.268 -2.968 19 HE3 LYS 2 HE3 LYS 2 -2.307 -4.261 -1.522 20 HZ1 LYS 2 HZ1 LYS 2 -3.375 -2.379 -0.412 21 HZ2 LYS 2 HZ2 LYS 2 -4.171 -2.812 -1.801 22 HZ3 LYS 2 HZ3 LYS 2 -3.251 -1.461 -1.770 23 H ASN 3 H ASN 3 1.834 -3.849 -5.788 24 HA ASN 3 HA ASN 3 2.022 -1.884 -7.971 25 HB2 ASN 3 HB2 ASN 3 3.786 -3.365 -8.949 26 HB3 ASN 3 HB3 ASN 3 4.255 -2.717 -7.382 27 HD21 ASN 3 HD21 ASN 3 3.853 -5.722 -9.098 28 HD22 ASN 3 HD22 ASN 3 3.924 -6.654 -7.587 29 H ALA 4 H ALA 4 1.691 -2.977 -10.090 30 HA ALA 4 HA ALA 4 -0.798 -4.097 -10.329 31 HB1 ALA 4 HB1 ALA 4 0.011 -4.898 -12.600 32 HB2 ALA 4 HB2 ALA 4 0.332 -3.193 -12.253 33 HB3 ALA 4 HB3 ALA 4 1.637 -4.405 -12.131 34 H ALA 5 H ALA 5 2.250 -6.091 -10.261 35 HA ALA 5 HA ALA 5 0.902 -8.553 -10.606 36 HB1 ALA 5 HB1 ALA 5 3.399 -8.307 -10.739 37 HB2 ALA 5 HB2 ALA 5 3.430 -8.162 -8.953 38 HB3 ALA 5 HB3 ALA 5 2.840 -9.630 -9.697 39 H LYS 6 H LYS 6 1.410 -6.543 -7.673 40 HA LYS 6 HA LYS 6 0.949 -8.525 -5.750 41 HB2 LYS 6 HB2 LYS 6 1.666 -5.956 -5.778 42 HB3 LYS 6 HB3 LYS 6 -0.043 -5.680 -5.463 43 HG2 LYS 6 HG2 LYS 6 1.727 -7.518 -3.828 44 HG3 LYS 6 HG3 LYS 6 1.442 -5.827 -3.439 45 HD2 LYS 6 HD2 LYS 6 -0.430 -6.441 -2.270 46 HD3 LYS 6 HD3 LYS 6 -1.175 -6.853 -3.792 47 HE2 LYS 6 HE2 LYS 6 -1.408 -8.833 -2.692 48 HE3 LYS 6 HE3 LYS 6 0.174 -9.132 -3.427 49 HZ1 LYS 6 HZ1 LYS 6 0.281 -9.660 -1.139 50 HZ2 LYS 6 HZ2 LYS 6 -0.418 -8.275 -0.659 51 HZ3 LYS 6 HZ3 LYS 6 1.118 -8.250 -1.280 52 H ILE 7 H ILE 7 -1.383 -6.232 -7.254 53 HA ILE 7 HA ILE 7 -3.659 -7.468 -6.041 54 HB ILE 7 HB ILE 7 -3.936 -5.969 -8.643 55 HG12 ILE 7 HG12 ILE 7 -4.168 -3.982 -6.732 56 HG13 ILE 7 HG13 ILE 7 -2.788 -4.862 -6.112 57 HG21 ILE 7 HG21 ILE 7 -5.972 -6.884 -7.573 58 HG22 ILE 7 HG22 ILE 7 -5.593 -5.996 -6.086 59 HG23 ILE 7 HG23 ILE 7 -5.977 -5.107 -7.569 60 HD11 ILE 7 HD11 ILE 7 -1.808 -4.693 -8.446 61 HD12 ILE 7 HD12 ILE 7 -3.139 -3.603 -8.850 62 HD13 ILE 7 HD13 ILE 7 -1.985 -3.144 -7.575 63 H VAL 8 H VAL 8 -2.024 -8.094 -9.148 64 HA VAL 8 HA VAL 8 -4.015 -9.795 -10.287 65 HB VAL 8 HB VAL 8 -1.003 -9.767 -10.523 66 HG11 VAL 8 HG11 VAL 8 -1.788 -11.957 -11.343 67 HG12 VAL 8 HG12 VAL 8 -3.012 -11.172 -12.358 68 HG13 VAL 8 HG13 VAL 8 -1.279 -10.962 -12.712 69 HG21 VAL 8 HG21 VAL 8 -1.246 -8.347 -12.422 70 HG22 VAL 8 HG22 VAL 8 -2.936 -8.794 -12.674 71 HG23 VAL 8 HG23 VAL 8 -2.496 -7.727 -11.346 72 H ASN 9 H ASN 9 -1.221 -10.577 -8.178 73 HA ASN 9 HA ASN 9 -1.648 -13.348 -8.141 74 HB2 ASN 9 HB2 ASN 9 0.167 -13.276 -6.856 75 HB3 ASN 9 HB3 ASN 9 0.063 -11.527 -6.825 76 HD21 ASN 9 HD21 ASN 9 -0.856 -10.516 -5.008 77 HD22 ASN 9 HD22 ASN 9 -1.007 -11.352 -3.448 78 H GLU 10 H GLU 10 -3.234 -10.808 -6.207 79 HA GLU 10 HA GLU 10 -4.598 -12.682 -4.470 80 HB2 GLU 10 HB2 GLU 10 -5.235 -9.766 -5.169 81 HB3 GLU 10 HB3 GLU 10 -6.087 -10.737 -3.969 82 HG2 GLU 10 HG2 GLU 10 -3.342 -11.056 -3.352 83 HG3 GLU 10 HG3 GLU 10 -3.492 -9.364 -3.789 84 H ALA 11 H ALA 11 -5.335 -11.108 -7.600 85 HA ALA 11 HA ALA 11 -8.074 -11.861 -7.657 86 HB1 ALA 11 HB1 ALA 11 -7.931 -11.391 -10.062 87 HB2 ALA 11 HB2 ALA 11 -7.009 -10.168 -9.176 88 HB3 ALA 11 HB3 ALA 11 -6.173 -11.489 -10.024 89 H LEU 12 H LEU 12 -5.145 -13.474 -8.987 90 HA LEU 12 HA LEU 12 -6.463 -15.743 -9.967 91 HB2 LEU 12 HB2 LEU 12 -3.747 -15.839 -8.603 92 HB3 LEU 12 HB3 LEU 12 -4.363 -16.969 -9.810 93 HG LEU 12 HG LEU 12 -3.491 -14.096 -10.243 94 HD11 LEU 12 HD11 LEU 12 -2.388 -16.727 -11.291 95 HD12 LEU 12 HD12 LEU 12 -1.696 -15.768 -9.973 96 HD13 LEU 12 HD13 LEU 12 -1.730 -15.104 -11.610 97 HD21 LEU 12 HD21 LEU 12 -5.355 -14.478 -11.752 98 HD22 LEU 12 HD22 LEU 12 -4.704 -16.049 -12.247 99 HD23 LEU 12 HD23 LEU 12 -3.863 -14.546 -12.691 100 H ASN 13 H ASN 13 -5.254 -15.160 -6.651 101 HA ASN 13 HA ASN 13 -5.793 -17.767 -5.591 102 HB2 ASN 13 HB2 ASN 13 -5.471 -15.040 -4.301 103 HB3 ASN 13 HB3 ASN 13 -6.040 -16.410 -3.357 104 HD21 ASN 13 HD21 ASN 13 -3.187 -15.010 -4.844 105 HD22 ASN 13 HD22 ASN 13 -2.103 -16.285 -4.335 106 H GLN 14 H GLN 14 -7.881 -14.904 -5.939 107 HA GLN 14 HA GLN 14 -10.162 -16.215 -4.633 108 HB2 GLN 14 HB2 GLN 14 -9.517 -13.503 -5.787 109 HB3 GLN 14 HB3 GLN 14 -11.200 -14.016 -5.829 110 HG2 GLN 14 HG2 GLN 14 -10.873 -12.737 -3.868 111 HG3 GLN 14 HG3 GLN 14 -11.263 -14.405 -3.463 112 HE21 GLN 14 HE21 GLN 14 -8.072 -12.744 -4.216 113 HE22 GLN 14 HE22 GLN 14 -7.457 -13.031 -2.611 114 H GLY 15 H GLY 15 -8.754 -16.766 -7.567 115 HA2 GLY 15 HA2 GLY 15 -9.511 -18.089 -9.296 116 HA3 GLY 15 HA3 GLY 15 -11.150 -18.056 -8.615 117 H ILE 16 H ILE 16 -8.937 -15.360 -9.566 118 HA ILE 16 HA ILE 16 -10.807 -14.620 -11.750 119 HB ILE 16 HB ILE 16 -9.604 -12.855 -9.603 120 HG12 ILE 16 HG12 ILE 16 -12.584 -12.917 -9.995 121 HG13 ILE 16 HG13 ILE 16 -11.885 -14.308 -9.198 122 HG21 ILE 16 HG21 ILE 16 -11.401 -11.972 -11.874 123 HG22 ILE 16 HG22 ILE 16 -10.782 -10.974 -10.547 124 HG23 ILE 16 HG23 ILE 16 -9.657 -11.647 -11.729 125 HD11 ILE 16 HD11 ILE 16 -12.392 -12.929 -7.440 126 HD12 ILE 16 HD12 ILE 16 -10.657 -12.686 -7.663 127 HD13 ILE 16 HD13 ILE 16 -11.818 -11.471 -8.279 128 H THR 17 H THR 17 -9.825 -14.199 -13.581 129 HA THR 17 HA THR 17 -6.865 -13.999 -13.686 130 HB THR 17 HB THR 17 -9.029 -14.644 -15.731 131 HG1 THR 17 HG1 THR 17 -6.857 -16.278 -14.998 132 HG21 THR 17 HG21 THR 17 -7.378 -13.430 -16.963 133 HG22 THR 17 HG22 THR 17 -7.077 -15.144 -17.272 134 HG23 THR 17 HG23 THR 17 -6.055 -14.231 -16.122 135 H LEU 18 H LEU 18 -6.115 -11.938 -13.694 136 HA LEU 18 HA LEU 18 -7.838 -9.747 -14.767 137 HB2 LEU 18 HB2 LEU 18 -5.154 -9.814 -13.351 138 HB3 LEU 18 HB3 LEU 18 -5.720 -8.401 -14.270 139 HG LEU 18 HG LEU 18 -7.262 -9.587 -11.942 140 HD11 LEU 18 HD11 LEU 18 -4.883 -8.456 -11.579 141 HD12 LEU 18 HD12 LEU 18 -6.220 -8.098 -10.510 142 HD13 LEU 18 HD13 LEU 18 -5.775 -6.958 -11.812 143 HD21 LEU 18 HD21 LEU 18 -8.854 -8.340 -13.048 144 HD22 LEU 18 HD22 LEU 18 -7.659 -7.279 -13.823 145 HD23 LEU 18 HD23 LEU 18 -8.082 -7.017 -12.148 146 H PHE 19 H PHE 19 -7.421 -8.901 -16.790 147 HA PHE 19 HA PHE 19 -4.963 -9.465 -18.251 148 HB2 PHE 19 HB2 PHE 19 -6.011 -10.573 -20.066 149 HB3 PHE 19 HB3 PHE 19 -6.525 -11.480 -18.653 150 HD1 PHE 19 HD1 PHE 19 -7.557 -9.738 -21.632 151 HD2 PHE 19 HD2 PHE 19 -8.921 -10.804 -17.676 152 HE1 PHE 19 HE1 PHE 19 -9.900 -9.520 -22.380 153 HE2 PHE 19 HE2 PHE 19 -11.261 -10.406 -18.409 154 HZ PHE 19 HZ PHE 19 -11.761 -9.850 -20.772 155 H VAL 20 H VAL 20 -5.127 -8.078 -20.388 156 HA VAL 20 HA VAL 20 -7.060 -5.904 -20.024 157 HB VAL 20 HB VAL 20 -5.418 -4.563 -19.985 158 HG11 VAL 20 HG11 VAL 20 -4.092 -6.033 -18.832 159 HG12 VAL 20 HG12 VAL 20 -3.401 -6.726 -20.345 160 HG13 VAL 20 HG13 VAL 20 -3.078 -5.045 -19.886 161 HG21 VAL 20 HG21 VAL 20 -4.387 -5.564 -22.639 162 HG22 VAL 20 HG22 VAL 20 -5.573 -4.250 -22.371 163 HG23 VAL 20 HG23 VAL 20 -3.913 -4.069 -21.826 164 H SER 21 H SER 21 -8.041 -5.118 -21.767 165 HA SER 21 HA SER 21 -7.972 -6.551 -24.396 166 HB2 SER 21 HB2 SER 21 -9.938 -7.428 -23.244 167 HB3 SER 21 HB3 SER 21 -10.251 -5.821 -22.568 168 HG SER 21 HG SER 21 -10.750 -6.726 -25.188 169 H ASP 22 H ASP 22 -7.771 -5.008 -26.024 170 HA ASP 22 HA ASP 22 -7.313 -3.005 -26.947 171 HB2 ASP 22 HB2 ASP 22 -9.883 -3.383 -26.855 172 HB3 ASP 22 HB3 ASP 22 -9.898 -2.021 -25.745 173 H ASN 23 H ASN 23 -5.846 -3.147 -24.682 174 HA ASN 23 HA ASN 23 -4.547 -1.907 -23.292 175 HB2 ASN 23 HB2 ASN 23 -4.872 -0.322 -25.479 176 HB3 ASN 23 HB3 ASN 23 -5.488 0.760 -24.258 177 HD21 ASN 23 HD21 ASN 23 -2.713 -1.109 -25.351 178 HD22 ASN 23 HD22 ASN 23 -1.523 -0.374 -24.333 179 H LYS 24 H LYS 24 -7.232 -2.675 -22.442 180 HA LYS 24 HA LYS 24 -7.542 -0.686 -20.272 181 HB2 LYS 24 HB2 LYS 24 -9.288 -0.480 -22.091 182 HB3 LYS 24 HB3 LYS 24 -9.781 -2.134 -21.750 183 HG2 LYS 24 HG2 LYS 24 -11.309 -0.794 -20.523 184 HG3 LYS 24 HG3 LYS 24 -10.248 -1.530 -19.349 185 HD2 LYS 24 HD2 LYS 24 -10.633 0.834 -18.792 186 HD3 LYS 24 HD3 LYS 24 -8.942 0.559 -19.134 187 HE2 LYS 24 HE2 LYS 24 -9.879 2.650 -20.189 188 HE3 LYS 24 HE3 LYS 24 -9.158 1.528 -21.345 189 HZ1 LYS 24 HZ1 LYS 24 -11.151 2.303 -22.232 190 HZ2 LYS 24 HZ2 LYS 24 -12.042 1.946 -20.890 191 HZ3 LYS 24 HZ3 LYS 24 -11.436 0.745 -21.843 192 H LEU 25 H LEU 25 -7.461 -1.572 -18.353 193 HA LEU 25 HA LEU 25 -6.969 -4.323 -17.849 194 HB2 LEU 25 HB2 LEU 25 -6.306 -2.506 -16.314 195 HB3 LEU 25 HB3 LEU 25 -7.988 -2.066 -16.059 196 HG LEU 25 HG LEU 25 -8.451 -4.308 -15.074 197 HD11 LEU 25 HD11 LEU 25 -5.529 -4.751 -15.685 198 HD12 LEU 25 HD12 LEU 25 -6.917 -5.831 -15.980 199 HD13 LEU 25 HD13 LEU 25 -6.307 -5.595 -14.340 200 HD21 LEU 25 HD21 LEU 25 -7.343 -3.927 -12.975 201 HD22 LEU 25 HD22 LEU 25 -7.871 -2.377 -13.660 202 HD23 LEU 25 HD23 LEU 25 -6.178 -2.840 -13.759 203 H LYS 26 H LYS 26 -8.293 -5.940 -17.790 204 HA LYS 26 HA LYS 26 -11.205 -5.642 -17.327 205 HB2 LYS 26 HB2 LYS 26 -9.625 -6.776 -19.605 206 HB3 LYS 26 HB3 LYS 26 -10.749 -7.888 -18.881 207 HG2 LYS 26 HG2 LYS 26 -11.927 -6.860 -20.614 208 HG3 LYS 26 HG3 LYS 26 -12.545 -6.278 -19.052 209 HD2 LYS 26 HD2 LYS 26 -11.266 -4.159 -19.347 210 HD3 LYS 26 HD3 LYS 26 -10.502 -4.804 -20.779 211 HE2 LYS 26 HE2 LYS 26 -12.177 -3.358 -21.592 212 HE3 LYS 26 HE3 LYS 26 -12.791 -5.003 -21.822 213 HZ1 LYS 26 HZ1 LYS 26 -14.129 -4.713 -19.823 214 HZ2 LYS 26 HZ2 LYS 26 -14.460 -3.521 -20.902 215 HZ3 LYS 26 HZ3 LYS 26 -13.505 -3.224 -19.573 216 H TYR 27 H TYR 27 -12.019 -7.967 -16.741 217 HA TYR 27 HA TYR 27 -10.083 -9.541 -15.261 218 HB2 TYR 27 HB2 TYR 27 -11.035 -9.279 -13.002 219 HB3 TYR 27 HB3 TYR 27 -10.977 -7.690 -13.687 220 HD1 TYR 27 HD1 TYR 27 -12.967 -6.417 -14.095 221 HD2 TYR 27 HD2 TYR 27 -13.206 -10.551 -12.901 222 HE1 TYR 27 HE1 TYR 27 -15.366 -6.153 -13.721 223 HE2 TYR 27 HE2 TYR 27 -15.662 -10.334 -12.628 224 HH TYR 27 HH TYR 27 -17.295 -7.231 -12.761 225 H LYS 28 H LYS 28 -10.765 -11.704 -15.099 226 HA LYS 28 HA LYS 28 -13.445 -12.481 -16.173 227 HB2 LYS 28 HB2 LYS 28 -10.687 -13.549 -16.957 228 HB3 LYS 28 HB3 LYS 28 -12.116 -14.566 -16.992 229 HG2 LYS 28 HG2 LYS 28 -12.908 -12.242 -18.396 230 HG3 LYS 28 HG3 LYS 28 -11.242 -12.597 -18.911 231 HD2 LYS 28 HD2 LYS 28 -13.420 -14.662 -18.947 232 HD3 LYS 28 HD3 LYS 28 -13.010 -13.627 -20.324 233 HE2 LYS 28 HE2 LYS 28 -10.645 -14.392 -20.200 234 HE3 LYS 28 HE3 LYS 28 -11.062 -15.500 -18.882 235 HZ1 LYS 28 HZ1 LYS 28 -12.463 -16.705 -20.356 236 HZ2 LYS 28 HZ2 LYS 28 -10.985 -16.569 -21.038 237 HZ3 LYS 28 HZ3 LYS 28 -12.226 -15.624 -21.589 238 H THR 29 H THR 29 -14.155 -14.533 -15.212 239 HA THR 29 HA THR 29 -12.672 -15.989 -13.306 240 HB THR 29 HB THR 29 -12.785 -14.030 -11.905 241 HG1 THR 29 HG1 THR 29 -13.176 -15.774 -10.751 242 HG21 THR 29 HG21 THR 29 -15.695 -13.802 -12.670 243 HG22 THR 29 HG22 THR 29 -14.414 -12.636 -12.915 244 HG23 THR 29 HG23 THR 29 -14.975 -12.962 -11.264 245 H ASN 30 H ASN 30 -14.342 -17.440 -12.131 246 HA ASN 30 HA ASN 30 -16.625 -18.006 -13.994 247 HB2 ASN 30 HB2 ASN 30 -14.742 -19.821 -12.504 248 HB3 ASN 30 HB3 ASN 30 -16.419 -20.318 -12.699 249 HD21 ASN 30 HD21 ASN 30 -15.749 -22.083 -14.046 250 HD22 ASN 30 HD22 ASN 30 -15.335 -21.806 -15.723 251 H ARG 31 H ARG 31 -16.079 -16.372 -11.197 252 HA ARG 31 HA ARG 31 -18.741 -17.034 -10.101 253 HB2 ARG 31 HB2 ARG 31 -17.940 -16.832 -7.882 254 HB3 ARG 31 HB3 ARG 31 -16.958 -18.040 -8.679 255 HG2 ARG 31 HG2 ARG 31 -15.851 -15.246 -8.690 256 HG3 ARG 31 HG3 ARG 31 -16.035 -15.975 -7.115 257 HD2 ARG 31 HD2 ARG 31 -14.513 -17.215 -9.440 258 HD3 ARG 31 HD3 ARG 31 -13.781 -16.284 -8.127 259 HE ARG 31 HE ARG 31 -14.422 -19.045 -8.155 260 HH11 ARG 31 HH11 ARG 31 -14.085 -16.344 -5.827 261 HH12 ARG 31 HH12 ARG 31 -14.430 -17.351 -4.462 262 HH21 ARG 31 HH21 ARG 31 -14.591 -20.357 -6.199 263 HH22 ARG 31 HH22 ARG 31 -14.927 -19.544 -4.706 264 H ASP 32 H ASP 32 -19.490 -15.121 -8.805 265 HA ASP 32 HA ASP 32 -18.542 -12.516 -9.948 266 HB2 ASP 32 HB2 ASP 32 -20.903 -11.834 -10.030 267 HB3 ASP 32 HB3 ASP 32 -20.556 -13.177 -11.123 268 H SER 33 H SER 33 -19.117 -14.395 -7.216 269 HA SER 33 HA SER 33 -19.837 -12.224 -5.396 270 HB2 SER 33 HB2 SER 33 -20.624 -14.656 -5.423 271 HB3 SER 33 HB3 SER 33 -19.017 -15.109 -4.842 272 HG SER 33 HG SER 33 -21.022 -13.528 -3.589 273 H ILE 34 H ILE 34 -17.469 -11.577 -6.730 274 HA ILE 34 HA ILE 34 -15.109 -12.371 -5.224 275 HB ILE 34 HB ILE 34 -13.905 -10.978 -6.823 276 HG12 ILE 34 HG12 ILE 34 -15.257 -9.954 -8.758 277 HG13 ILE 34 HG13 ILE 34 -16.611 -9.860 -7.633 278 HG21 ILE 34 HG21 ILE 34 -14.745 -13.255 -7.472 279 HG22 ILE 34 HG22 ILE 34 -16.122 -12.483 -8.294 280 HG23 ILE 34 HG23 ILE 34 -14.479 -12.165 -8.839 281 HD11 ILE 34 HD11 ILE 34 -15.349 -8.334 -6.200 282 HD12 ILE 34 HD12 ILE 34 -13.847 -8.644 -7.117 283 HD13 ILE 34 HD13 ILE 34 -15.197 -7.774 -7.852 284 HA PRO 35 HA PRO 35 -15.132 -9.084 -2.198 285 HB2 PRO 35 HB2 PRO 35 -12.534 -8.501 -1.769 286 HB3 PRO 35 HB3 PRO 35 -13.199 -10.098 -1.342 287 HG2 PRO 35 HG2 PRO 35 -11.695 -9.355 -3.839 288 HG3 PRO 35 HG3 PRO 35 -11.399 -10.738 -2.738 289 HD2 PRO 35 HD2 PRO 35 -12.844 -10.993 -5.030 290 HD3 PRO 35 HD3 PRO 35 -13.287 -11.879 -3.554 291 H SER 36 H SER 36 -15.630 -6.895 -2.376 292 HA SER 36 HA SER 36 -15.236 -5.547 -4.816 293 HB2 SER 36 HB2 SER 36 -15.861 -4.442 -2.051 294 HB3 SER 36 HB3 SER 36 -15.959 -3.527 -3.561 295 HG SER 36 HG SER 36 -17.856 -4.313 -3.743 296 H GLU 37 H GLU 37 -12.961 -5.935 -2.160 297 HA GLU 37 HA GLU 37 -11.465 -3.596 -2.480 298 HB2 GLU 37 HB2 GLU 37 -9.771 -4.596 -1.285 299 HB3 GLU 37 HB3 GLU 37 -11.231 -5.430 -0.701 300 HG2 GLU 37 HG2 GLU 37 -10.606 -7.379 -2.120 301 HG3 GLU 37 HG3 GLU 37 -9.175 -6.496 -2.683 302 H LEU 38 H LEU 38 -11.592 -6.484 -4.506 303 HA LEU 38 HA LEU 38 -9.205 -5.886 -6.064 304 HB2 LEU 38 HB2 LEU 38 -11.561 -7.783 -6.200 305 HB3 LEU 38 HB3 LEU 38 -10.791 -7.453 -7.730 306 HG LEU 38 HG LEU 38 -8.712 -8.372 -7.058 307 HD11 LEU 38 HD11 LEU 38 -8.252 -9.271 -4.755 308 HD12 LEU 38 HD12 LEU 38 -9.745 -8.530 -4.172 309 HD13 LEU 38 HD13 LEU 38 -8.422 -7.507 -4.734 310 HD21 LEU 38 HD21 LEU 38 -9.350 -10.660 -6.305 311 HD22 LEU 38 HD22 LEU 38 -10.410 -10.005 -7.573 312 HD23 LEU 38 HD23 LEU 38 -10.961 -10.053 -5.888 313 H LEU 39 H LEU 39 -12.723 -5.398 -6.628 314 HA LEU 39 HA LEU 39 -12.520 -4.054 -9.092 315 HB2 LEU 39 HB2 LEU 39 -14.477 -3.881 -6.786 316 HB3 LEU 39 HB3 LEU 39 -14.674 -2.814 -8.159 317 HG LEU 39 HG LEU 39 -14.439 -5.806 -8.559 318 HD11 LEU 39 HD11 LEU 39 -16.923 -5.890 -8.498 319 HD12 LEU 39 HD12 LEU 39 -16.962 -4.177 -7.999 320 HD13 LEU 39 HD13 LEU 39 -16.261 -5.412 -6.943 321 HD21 LEU 39 HD21 LEU 39 -15.768 -3.596 -10.199 322 HD22 LEU 39 HD22 LEU 39 -15.658 -5.313 -10.640 323 HD23 LEU 39 HD23 LEU 39 -14.195 -4.336 -10.562 324 H GLU 40 H GLU 40 -12.260 -2.759 -5.793 325 HA GLU 40 HA GLU 40 -12.124 -0.003 -6.582 326 HB2 GLU 40 HB2 GLU 40 -11.328 -1.519 -4.046 327 HB3 GLU 40 HB3 GLU 40 -11.228 0.227 -4.227 328 HG2 GLU 40 HG2 GLU 40 -13.803 -0.170 -5.092 329 HG3 GLU 40 HG3 GLU 40 -13.654 -1.523 -3.978 330 H GLU 41 H GLU 41 -9.575 -2.339 -5.521 331 HA GLU 41 HA GLU 41 -7.527 -0.484 -6.005 332 HB2 GLU 41 HB2 GLU 41 -7.520 -2.609 -4.596 333 HB3 GLU 41 HB3 GLU 41 -7.082 -3.480 -6.080 334 HG2 GLU 41 HG2 GLU 41 -5.134 -2.129 -6.438 335 HG3 GLU 41 HG3 GLU 41 -5.630 -0.927 -5.260 336 H TRP 42 H TRP 42 -9.034 -2.819 -8.141 337 HA TRP 42 HA TRP 42 -7.127 -2.750 -10.245 338 HB2 TRP 42 HB2 TRP 42 -10.153 -3.022 -10.357 339 HB3 TRP 42 HB3 TRP 42 -9.087 -3.211 -11.735 340 HD1 TRP 42 HD1 TRP 42 -6.968 -4.894 -9.603 341 HE1 TRP 42 HE1 TRP 42 -7.497 -7.330 -9.118 342 HE3 TRP 42 HE3 TRP 42 -11.874 -4.963 -11.070 343 HZ2 TRP 42 HZ2 TRP 42 -9.664 -9.173 -9.606 344 HZ3 TRP 42 HZ3 TRP 42 -13.171 -7.074 -10.968 345 HH2 TRP 42 HH2 TRP 42 -12.087 -9.175 -10.283 346 H LYS 43 H LYS 43 -9.856 -0.529 -9.478 347 HA LYS 43 HA LYS 43 -9.423 1.115 -11.803 348 HB2 LYS 43 HB2 LYS 43 -11.580 0.975 -10.861 349 HB3 LYS 43 HB3 LYS 43 -11.036 1.231 -9.223 350 HG2 LYS 43 HG2 LYS 43 -10.769 3.367 -11.354 351 HG3 LYS 43 HG3 LYS 43 -12.289 3.104 -10.495 352 HD2 LYS 43 HD2 LYS 43 -9.679 4.088 -9.290 353 HD3 LYS 43 HD3 LYS 43 -11.218 4.880 -9.432 354 HE2 LYS 43 HE2 LYS 43 -12.205 3.255 -7.803 355 HE3 LYS 43 HE3 LYS 43 -10.589 2.552 -7.595 356 HZ1 LYS 43 HZ1 LYS 43 -10.936 4.109 -5.877 357 HZ2 LYS 43 HZ2 LYS 43 -11.462 5.283 -6.883 358 HZ3 LYS 43 HZ3 LYS 43 -9.882 4.856 -6.920 359 H GLN 44 H GLN 44 -8.073 1.018 -8.508 360 HA GLN 44 HA GLN 44 -6.994 3.695 -8.568 361 HB2 GLN 44 HB2 GLN 44 -6.360 1.236 -6.894 362 HB3 GLN 44 HB3 GLN 44 -5.569 2.784 -6.660 363 HG2 GLN 44 HG2 GLN 44 -7.458 3.826 -5.788 364 HG3 GLN 44 HG3 GLN 44 -8.570 2.718 -6.593 365 HE21 GLN 44 HE21 GLN 44 -5.785 2.193 -4.296 366 HE22 GLN 44 HE22 GLN 44 -6.668 0.909 -3.435 367 H HIS 45 H HIS 45 -5.598 0.437 -9.281 368 HA HIS 45 HA HIS 45 -3.160 1.773 -10.353 369 HB2 HIS 45 HB2 HIS 45 -3.671 -1.020 -9.269 370 HB3 HIS 45 HB3 HIS 45 -2.194 -0.556 -10.094 371 HD1 HIS 45 HD1 HIS 45 -0.248 0.209 -8.497 372 HD2 HIS 45 HD2 HIS 45 -4.154 0.641 -6.918 373 HE1 HIS 45 HE1 HIS 45 0.025 0.992 -6.150 374 H LYS 46 H LYS 46 -5.869 1.324 -11.763 375 HA LYS 46 HA LYS 46 -5.773 -0.667 -13.640 376 HB2 LYS 46 HB2 LYS 46 -7.168 0.760 -15.137 377 HB3 LYS 46 HB3 LYS 46 -7.753 0.620 -13.511 378 HG2 LYS 46 HG2 LYS 46 -8.083 2.835 -13.675 379 HG3 LYS 46 HG3 LYS 46 -6.413 2.875 -13.131 380 HD2 LYS 46 HD2 LYS 46 -5.954 4.163 -14.889 381 HD3 LYS 46 HD3 LYS 46 -6.105 2.727 -15.916 382 HE2 LYS 46 HE2 LYS 46 -8.569 3.258 -16.146 383 HE3 LYS 46 HE3 LYS 46 -8.274 4.752 -15.241 384 HZ1 LYS 46 HZ1 LYS 46 -8.173 5.310 -17.514 385 HZ2 LYS 46 HZ2 LYS 46 -7.181 4.048 -17.899 386 HZ3 LYS 46 HZ3 LYS 46 -6.614 5.296 -17.034 387 H GLN 47 H GLN 47 -4.136 2.473 -13.970 388 HA GLN 47 HA GLN 47 -3.281 1.990 -16.644 389 HB2 GLN 47 HB2 GLN 47 -3.513 4.206 -15.636 390 HB3 GLN 47 HB3 GLN 47 -2.280 3.815 -14.460 391 HG2 GLN 47 HG2 GLN 47 -1.324 5.243 -16.141 392 HG3 GLN 47 HG3 GLN 47 -0.593 3.660 -16.324 393 HE21 GLN 47 HE21 GLN 47 -1.356 2.278 -18.238 394 HE22 GLN 47 HE22 GLN 47 -2.070 3.148 -19.567 395 H GLU 48 H GLU 48 -1.724 1.254 -13.498 396 HA GLU 48 HA GLU 48 0.776 0.427 -14.734 397 HB2 GLU 48 HB2 GLU 48 0.021 -0.616 -12.025 398 HB3 GLU 48 HB3 GLU 48 1.543 0.061 -12.621 399 HG2 GLU 48 HG2 GLU 48 -0.945 1.555 -11.741 400 HG3 GLU 48 HG3 GLU 48 0.586 1.475 -10.916 401 H LEU 49 H LEU 49 -2.137 -1.072 -13.516 402 HA LEU 49 HA LEU 49 -1.430 -3.823 -13.723 403 HB2 LEU 49 HB2 LEU 49 -4.014 -2.278 -13.722 404 HB3 LEU 49 HB3 LEU 49 -4.088 -3.996 -14.056 405 HG LEU 49 HG LEU 49 -2.661 -2.945 -11.584 406 HD11 LEU 49 HD11 LEU 49 -5.533 -3.940 -11.698 407 HD12 LEU 49 HD12 LEU 49 -5.090 -2.215 -11.610 408 HD13 LEU 49 HD13 LEU 49 -4.680 -3.314 -10.296 409 HD21 LEU 49 HD21 LEU 49 -3.116 -5.254 -10.773 410 HD22 LEU 49 HD22 LEU 49 -2.192 -5.308 -12.273 411 HD23 LEU 49 HD23 LEU 49 -3.919 -5.646 -12.305 412 H ILE 50 H ILE 50 -2.695 -1.605 -16.176 413 HA ILE 50 HA ILE 50 -3.097 -3.583 -18.236 414 HB ILE 50 HB ILE 50 -2.613 -0.546 -18.297 415 HG12 ILE 50 HG12 ILE 50 -5.130 -2.028 -19.107 416 HG13 ILE 50 HG13 ILE 50 -4.796 -1.682 -17.426 417 HG21 ILE 50 HG21 ILE 50 -3.373 -2.334 -20.641 418 HG22 ILE 50 HG22 ILE 50 -3.355 -0.560 -20.667 419 HG23 ILE 50 HG23 ILE 50 -1.848 -1.442 -20.478 420 HD11 ILE 50 HD11 ILE 50 -5.046 0.432 -19.586 421 HD12 ILE 50 HD12 ILE 50 -6.246 0.055 -18.332 422 HD13 ILE 50 HD13 ILE 50 -4.672 0.746 -17.889 423 H ASP 51 H ASP 51 -0.440 -1.224 -17.581 424 HA ASP 51 HA ASP 51 1.274 -2.031 -19.605 425 HB2 ASP 51 HB2 ASP 51 1.316 -0.137 -17.604 426 HB3 ASP 51 HB3 ASP 51 2.600 -1.200 -17.071 427 H PHE 52 H PHE 52 0.983 -3.413 -16.364 428 HA PHE 52 HA PHE 52 3.278 -5.214 -16.697 429 HB2 PHE 52 HB2 PHE 52 2.742 -4.453 -14.498 430 HB3 PHE 52 HB3 PHE 52 1.022 -4.817 -14.710 431 HD1 PHE 52 HD1 PHE 52 4.414 -6.424 -14.569 432 HD2 PHE 52 HD2 PHE 52 0.187 -6.983 -14.055 433 HE1 PHE 52 HE1 PHE 52 4.826 -8.679 -13.581 434 HE2 PHE 52 HE2 PHE 52 0.613 -9.281 -13.149 435 HZ PHE 52 HZ PHE 52 2.930 -10.096 -12.896 436 H LEU 53 H LEU 53 -0.310 -5.481 -17.056 437 HA LEU 53 HA LEU 53 -0.068 -8.406 -17.409 438 HB2 LEU 53 HB2 LEU 53 -2.248 -6.340 -17.731 439 HB3 LEU 53 HB3 LEU 53 -2.533 -7.995 -18.242 440 HG LEU 53 HG LEU 53 -1.625 -7.339 -15.399 441 HD11 LEU 53 HD11 LEU 53 -3.748 -6.128 -15.997 442 HD12 LEU 53 HD12 LEU 53 -3.912 -7.322 -14.715 443 HD13 LEU 53 HD13 LEU 53 -4.493 -7.689 -16.373 444 HD21 LEU 53 HD21 LEU 53 -3.001 -9.688 -16.758 445 HD22 LEU 53 HD22 LEU 53 -2.768 -9.563 -14.996 446 HD23 LEU 53 HD23 LEU 53 -1.366 -9.679 -16.073 447 H THR 54 H THR 54 -0.380 -5.602 -19.546 448 HA THR 54 HA THR 54 -0.855 -7.157 -21.838 449 HB THR 54 HB THR 54 -1.286 -4.758 -21.393 450 HG1 THR 54 HG1 THR 54 -0.177 -5.631 -23.837 451 HG21 THR 54 HG21 THR 54 1.030 -4.104 -20.734 452 HG22 THR 54 HG22 THR 54 0.170 -2.999 -21.786 453 HG23 THR 54 HG23 THR 54 1.439 -4.080 -22.455 454 H GLN 55 H GLN 55 2.137 -6.247 -20.203 455 HA GLN 55 HA GLN 55 3.817 -6.807 -22.501 456 HB2 GLN 55 HB2 GLN 55 5.600 -6.719 -20.939 457 HB3 GLN 55 HB3 GLN 55 4.465 -5.371 -20.686 458 HG2 GLN 55 HG2 GLN 55 3.932 -5.999 -18.606 459 HG3 GLN 55 HG3 GLN 55 3.885 -7.702 -18.980 460 HE21 GLN 55 HE21 GLN 55 6.036 -8.793 -19.371 461 HE22 GLN 55 HE22 GLN 55 7.376 -8.262 -18.467 462 H LEU 56 H LEU 56 2.349 -8.711 -19.904 463 HA LEU 56 HA LEU 56 3.853 -11.094 -20.524 464 HB2 LEU 56 HB2 LEU 56 1.113 -10.935 -19.201 465 HB3 LEU 56 HB3 LEU 56 2.284 -12.260 -19.043 466 HG LEU 56 HG LEU 56 2.611 -9.443 -18.126 467 HD11 LEU 56 HD11 LEU 56 2.069 -11.918 -16.446 468 HD12 LEU 56 HD12 LEU 56 0.894 -10.633 -16.820 469 HD13 LEU 56 HD13 LEU 56 2.319 -10.271 -15.826 470 HD21 LEU 56 HD21 LEU 56 4.588 -10.238 -16.828 471 HD22 LEU 56 HD22 LEU 56 4.822 -10.440 -18.569 472 HD23 LEU 56 HD23 LEU 56 4.404 -11.842 -17.572 473 H GLU 57 H GLU 57 1.018 -9.566 -21.767 474 HA GLU 57 HA GLU 57 0.055 -11.958 -23.228 475 HB2 GLU 57 HB2 GLU 57 -1.363 -10.014 -21.982 476 HB3 GLU 57 HB3 GLU 57 -1.151 -9.220 -23.552 477 HG2 GLU 57 HG2 GLU 57 -1.998 -11.369 -24.620 478 HG3 GLU 57 HG3 GLU 57 -2.314 -12.012 -23.022 479 H SER 58 H SER 58 2.490 -9.935 -23.670 480 HA SER 58 HA SER 58 2.220 -9.910 -26.660 481 HB2 SER 58 HB2 SER 58 1.805 -7.678 -25.521 482 HB3 SER 58 HB3 SER 58 3.496 -7.707 -25.009 483 HG SER 58 HG SER 58 2.495 -7.760 -27.693 484 H GLU 59 H GLU 59 4.360 -10.349 -23.849 485 HA GLU 59 HA GLU 59 6.811 -10.553 -25.293 486 HB2 GLU 59 HB2 GLU 59 5.797 -11.342 -22.543 487 HB3 GLU 59 HB3 GLU 59 7.376 -11.902 -23.084 488 HG2 GLU 59 HG2 GLU 59 8.141 -9.655 -23.531 489 HG3 GLU 59 HG3 GLU 59 6.573 -8.956 -23.197 490 H GLU 60 H GLU 60 6.871 -11.937 -26.961 491 HA GLU 60 HA GLU 60 5.640 -14.628 -26.787 492 HB2 GLU 60 HB2 GLU 60 5.191 -12.959 -28.636 493 HB3 GLU 60 HB3 GLU 60 6.857 -13.136 -29.148 494 HG2 GLU 60 HG2 GLU 60 4.765 -15.351 -29.050 495 HG3 GLU 60 HG3 GLU 60 5.174 -14.416 -30.478 496 H GLU 61 H GLU 61 8.732 -13.027 -26.567 497 HA GLU 61 HA GLU 61 10.051 -15.697 -26.650 498 HB2 GLU 61 HB2 GLU 61 10.343 -14.362 -28.713 499 HB3 GLU 61 HB3 GLU 61 11.162 -13.120 -27.795 500 HG2 GLU 61 HG2 GLU 61 12.093 -16.016 -28.074 501 HG3 GLU 61 HG3 GLU 61 12.621 -14.698 -29.108 502 H SER 62 H SER 62 9.942 -12.533 -25.096 503 HA SER 62 HA SER 62 12.253 -12.662 -23.591 504 HB2 SER 62 HB2 SER 62 9.600 -11.466 -22.742 505 HB3 SER 62 HB3 SER 62 11.169 -11.115 -22.016 506 HG SER 62 HG SER 62 10.731 -9.541 -23.562 Start of MODEL 17 1 H1 MET 1 H MET 1 3.035 -1.453 1.174 2 HA MET 1 HA MET 1 1.239 -0.135 -0.753 3 HB2 MET 1 HB2 MET 1 3.056 0.534 -2.112 4 HB3 MET 1 HB3 MET 1 3.318 1.191 -0.508 5 HG2 MET 1 HG2 MET 1 5.001 -0.514 -0.056 6 HG3 MET 1 HG3 MET 1 4.678 -1.297 -1.611 7 HE1 MET 1 HE1 MET 1 5.560 -0.563 -3.904 8 HE2 MET 1 HE2 MET 1 4.480 0.841 -3.806 9 HE3 MET 1 HE3 MET 1 6.177 1.068 -4.257 10 H LYS 2 H LYS 2 1.321 -1.072 -2.917 11 HA LYS 2 HA LYS 2 2.316 -3.787 -3.230 12 HB2 LYS 2 HB2 LYS 2 0.047 -4.538 -4.052 13 HB3 LYS 2 HB3 LYS 2 0.225 -4.410 -2.306 14 HG2 LYS 2 HG2 LYS 2 -1.110 -2.444 -2.181 15 HG3 LYS 2 HG3 LYS 2 -0.928 -2.129 -3.910 16 HD2 LYS 2 HD2 LYS 2 -3.173 -2.938 -3.463 17 HD3 LYS 2 HD3 LYS 2 -2.296 -4.127 -4.437 18 HE2 LYS 2 HE2 LYS 2 -1.807 -5.410 -2.333 19 HE3 LYS 2 HE3 LYS 2 -2.758 -4.213 -1.439 20 HZ1 LYS 2 HZ1 LYS 2 -3.977 -6.237 -1.997 21 HZ2 LYS 2 HZ2 LYS 2 -3.770 -6.017 -3.541 22 HZ3 LYS 2 HZ3 LYS 2 -4.723 -4.932 -2.666 23 H ASN 3 H ASN 3 1.686 -4.429 -5.581 24 HA ASN 3 HA ASN 3 1.837 -2.128 -7.418 25 HB2 ASN 3 HB2 ASN 3 3.767 -3.273 -8.554 26 HB3 ASN 3 HB3 ASN 3 4.089 -2.764 -6.923 27 HD21 ASN 3 HD21 ASN 3 3.656 -5.649 -8.875 28 HD22 ASN 3 HD22 ASN 3 4.142 -6.726 -7.580 29 H ALA 4 H ALA 4 1.671 -2.955 -9.753 30 HA ALA 4 HA ALA 4 -0.700 -4.153 -10.277 31 HB1 ALA 4 HB1 ALA 4 1.761 -4.235 -12.038 32 HB2 ALA 4 HB2 ALA 4 0.129 -4.619 -12.553 33 HB3 ALA 4 HB3 ALA 4 0.490 -2.976 -12.003 34 H ALA 5 H ALA 5 2.394 -6.015 -10.256 35 HA ALA 5 HA ALA 5 1.215 -8.488 -10.909 36 HB1 ALA 5 HB1 ALA 5 3.612 -8.184 -9.043 37 HB2 ALA 5 HB2 ALA 5 3.224 -9.527 -10.106 38 HB3 ALA 5 HB3 ALA 5 3.731 -7.988 -10.819 39 H LYS 6 H LYS 6 1.676 -6.838 -7.624 40 HA LYS 6 HA LYS 6 0.984 -9.112 -6.148 41 HB2 LYS 6 HB2 LYS 6 1.532 -6.286 -5.824 42 HB3 LYS 6 HB3 LYS 6 0.004 -6.641 -4.988 43 HG2 LYS 6 HG2 LYS 6 1.530 -7.032 -3.366 44 HG3 LYS 6 HG3 LYS 6 1.293 -8.664 -4.041 45 HD2 LYS 6 HD2 LYS 6 3.602 -6.850 -4.756 46 HD3 LYS 6 HD3 LYS 6 3.695 -8.023 -3.454 47 HE2 LYS 6 HE2 LYS 6 2.794 -8.919 -6.198 48 HE3 LYS 6 HE3 LYS 6 4.501 -8.645 -5.901 49 HZ1 LYS 6 HZ1 LYS 6 4.477 -10.244 -4.175 50 HZ2 LYS 6 HZ2 LYS 6 3.810 -10.925 -5.529 51 HZ3 LYS 6 HZ3 LYS 6 2.861 -10.476 -4.263 52 H ILE 7 H ILE 7 -1.129 -6.567 -7.471 53 HA ILE 7 HA ILE 7 -3.508 -7.699 -6.442 54 HB ILE 7 HB ILE 7 -3.201 -6.130 -9.002 55 HG12 ILE 7 HG12 ILE 7 -4.025 -4.441 -6.782 56 HG13 ILE 7 HG13 ILE 7 -2.572 -5.305 -6.285 57 HG21 ILE 7 HG21 ILE 7 -5.469 -5.279 -8.286 58 HG22 ILE 7 HG22 ILE 7 -5.394 -6.964 -8.851 59 HG23 ILE 7 HG23 ILE 7 -5.471 -6.623 -7.112 60 HD11 ILE 7 HD11 ILE 7 -1.804 -3.364 -7.413 61 HD12 ILE 7 HD12 ILE 7 -1.592 -4.720 -8.517 62 HD13 ILE 7 HD13 ILE 7 -2.964 -3.616 -8.775 63 H VAL 8 H VAL 8 -1.690 -8.448 -9.397 64 HA VAL 8 HA VAL 8 -3.736 -10.106 -10.582 65 HB VAL 8 HB VAL 8 -0.712 -10.092 -10.873 66 HG11 VAL 8 HG11 VAL 8 -1.541 -12.311 -11.529 67 HG12 VAL 8 HG12 VAL 8 -2.841 -11.581 -12.480 68 HG13 VAL 8 HG13 VAL 8 -1.145 -11.398 -12.995 69 HG21 VAL 8 HG21 VAL 8 -1.959 -8.043 -11.717 70 HG22 VAL 8 HG22 VAL 8 -1.103 -8.931 -12.977 71 HG23 VAL 8 HG23 VAL 8 -2.855 -9.100 -12.810 72 H ASN 9 H ASN 9 -0.891 -10.954 -8.573 73 HA ASN 9 HA ASN 9 -1.510 -13.661 -8.244 74 HB2 ASN 9 HB2 ASN 9 0.363 -13.612 -7.094 75 HB3 ASN 9 HB3 ASN 9 0.402 -11.863 -7.232 76 HD21 ASN 9 HD21 ASN 9 -0.359 -10.631 -5.390 77 HD22 ASN 9 HD22 ASN 9 -0.032 -11.293 -3.802 78 H GLU 10 H GLU 10 -2.792 -10.883 -6.426 79 HA GLU 10 HA GLU 10 -4.175 -12.461 -4.468 80 HB2 GLU 10 HB2 GLU 10 -4.483 -9.596 -5.470 81 HB3 GLU 10 HB3 GLU 10 -5.459 -10.255 -4.157 82 HG2 GLU 10 HG2 GLU 10 -3.510 -10.625 -2.768 83 HG3 GLU 10 HG3 GLU 10 -2.416 -10.262 -4.073 84 H ALA 11 H ALA 11 -5.110 -11.105 -7.700 85 HA ALA 11 HA ALA 11 -7.872 -11.781 -7.483 86 HB1 ALA 11 HB1 ALA 11 -6.989 -10.156 -9.100 87 HB2 ALA 11 HB2 ALA 11 -6.107 -11.453 -9.947 88 HB3 ALA 11 HB3 ALA 11 -7.878 -11.455 -9.922 89 H LEU 12 H LEU 12 -5.053 -13.463 -8.920 90 HA LEU 12 HA LEU 12 -6.426 -15.743 -9.835 91 HB2 LEU 12 HB2 LEU 12 -3.633 -15.760 -8.636 92 HB3 LEU 12 HB3 LEU 12 -4.326 -16.968 -9.712 93 HG LEU 12 HG LEU 12 -3.508 -14.144 -10.445 94 HD11 LEU 12 HD11 LEU 12 -2.481 -16.874 -11.328 95 HD12 LEU 12 HD12 LEU 12 -1.680 -15.776 -10.183 96 HD13 LEU 12 HD13 LEU 12 -1.885 -15.295 -11.874 97 HD21 LEU 12 HD21 LEU 12 -5.474 -14.621 -11.722 98 HD22 LEU 12 HD22 LEU 12 -4.867 -16.233 -12.187 99 HD23 LEU 12 HD23 LEU 12 -4.071 -14.733 -12.758 100 H ASN 13 H ASN 13 -5.102 -15.046 -6.597 101 HA ASN 13 HA ASN 13 -5.536 -17.623 -5.479 102 HB2 ASN 13 HB2 ASN 13 -5.401 -14.907 -4.128 103 HB3 ASN 13 HB3 ASN 13 -5.498 -16.440 -3.261 104 HD21 ASN 13 HD21 ASN 13 -3.274 -14.742 -2.885 105 HD22 ASN 13 HD22 ASN 13 -1.881 -15.391 -3.750 106 H GLN 14 H GLN 14 -7.766 -14.858 -5.800 107 HA GLN 14 HA GLN 14 -9.881 -16.341 -4.369 108 HB2 GLN 14 HB2 GLN 14 -9.618 -13.585 -5.573 109 HB3 GLN 14 HB3 GLN 14 -11.235 -14.265 -5.333 110 HG2 GLN 14 HG2 GLN 14 -10.643 -12.948 -3.398 111 HG3 GLN 14 HG3 GLN 14 -10.790 -14.646 -2.957 112 HE21 GLN 14 HE21 GLN 14 -8.436 -11.996 -3.552 113 HE22 GLN 14 HE22 GLN 14 -7.122 -12.783 -2.725 114 H GLY 15 H GLY 15 -8.587 -16.624 -7.392 115 HA2 GLY 15 HA2 GLY 15 -9.269 -18.099 -9.057 116 HA3 GLY 15 HA3 GLY 15 -10.901 -18.151 -8.350 117 H ILE 16 H ILE 16 -8.855 -15.337 -9.413 118 HA ILE 16 HA ILE 16 -10.822 -14.729 -11.538 119 HB ILE 16 HB ILE 16 -9.621 -12.893 -9.442 120 HG12 ILE 16 HG12 ILE 16 -12.599 -12.940 -9.832 121 HG13 ILE 16 HG13 ILE 16 -11.912 -14.378 -9.100 122 HG21 ILE 16 HG21 ILE 16 -11.358 -12.032 -11.801 123 HG22 ILE 16 HG22 ILE 16 -10.841 -11.036 -10.441 124 HG23 ILE 16 HG23 ILE 16 -9.640 -11.662 -11.551 125 HD11 ILE 16 HD11 ILE 16 -12.442 -13.121 -7.275 126 HD12 ILE 16 HD12 ILE 16 -10.715 -12.762 -7.471 127 HD13 ILE 16 HD13 ILE 16 -11.964 -11.608 -8.054 128 H THR 17 H THR 17 -9.879 -14.054 -13.396 129 HA THR 17 HA THR 17 -6.915 -13.973 -13.537 130 HB THR 17 HB THR 17 -9.129 -14.549 -15.544 131 HG1 THR 17 HG1 THR 17 -7.159 -16.257 -14.439 132 HG21 THR 17 HG21 THR 17 -7.334 -13.509 -16.760 133 HG22 THR 17 HG22 THR 17 -7.280 -15.248 -17.078 134 HG23 THR 17 HG23 THR 17 -6.124 -14.507 -15.939 135 H LEU 18 H LEU 18 -6.019 -11.963 -13.944 136 HA LEU 18 HA LEU 18 -7.822 -9.774 -14.870 137 HB2 LEU 18 HB2 LEU 18 -5.076 -9.832 -13.579 138 HB3 LEU 18 HB3 LEU 18 -5.743 -8.406 -14.446 139 HG LEU 18 HG LEU 18 -7.154 -9.711 -12.111 140 HD11 LEU 18 HD11 LEU 18 -4.771 -8.742 -11.648 141 HD12 LEU 18 HD12 LEU 18 -6.094 -8.292 -10.600 142 HD13 LEU 18 HD13 LEU 18 -5.505 -7.170 -11.856 143 HD21 LEU 18 HD21 LEU 18 -8.754 -8.174 -12.526 144 HD22 LEU 18 HD22 LEU 18 -7.922 -7.700 -13.991 145 HD23 LEU 18 HD23 LEU 18 -7.571 -6.836 -12.495 146 H PHE 19 H PHE 19 -7.675 -9.221 -16.991 147 HA PHE 19 HA PHE 19 -5.231 -9.706 -18.533 148 HB2 PHE 19 HB2 PHE 19 -6.245 -10.905 -20.222 149 HB3 PHE 19 HB3 PHE 19 -6.873 -11.742 -18.786 150 HD1 PHE 19 HD1 PHE 19 -7.708 -9.748 -21.784 151 HD2 PHE 19 HD2 PHE 19 -9.276 -11.272 -18.055 152 HE1 PHE 19 HE1 PHE 19 -9.991 -9.523 -22.652 153 HE2 PHE 19 HE2 PHE 19 -11.584 -10.794 -18.876 154 HZ PHE 19 HZ PHE 19 -11.950 -9.997 -21.191 155 H VAL 20 H VAL 20 -5.233 -8.008 -20.224 156 HA VAL 20 HA VAL 20 -7.343 -5.898 -19.884 157 HB VAL 20 HB VAL 20 -4.693 -6.126 -21.003 158 HG11 VAL 20 HG11 VAL 20 -5.896 -3.441 -20.546 159 HG12 VAL 20 HG12 VAL 20 -4.381 -3.862 -21.370 160 HG13 VAL 20 HG13 VAL 20 -5.900 -4.277 -22.123 161 HG21 VAL 20 HG21 VAL 20 -5.035 -4.627 -18.472 162 HG22 VAL 20 HG22 VAL 20 -4.514 -6.320 -18.575 163 HG23 VAL 20 HG23 VAL 20 -3.545 -5.108 -19.348 164 H SER 21 H SER 21 -8.353 -5.145 -21.718 165 HA SER 21 HA SER 21 -8.075 -6.549 -24.312 166 HB2 SER 21 HB2 SER 21 -10.016 -7.455 -22.956 167 HB3 SER 21 HB3 SER 21 -10.650 -5.808 -22.876 168 HG SER 21 HG SER 21 -10.296 -7.409 -25.220 169 H ASP 22 H ASP 22 -8.038 -4.967 -25.942 170 HA ASP 22 HA ASP 22 -7.609 -2.906 -26.810 171 HB2 ASP 22 HB2 ASP 22 -10.270 -2.229 -25.491 172 HB3 ASP 22 HB3 ASP 22 -9.527 -1.343 -26.822 173 H ASN 23 H ASN 23 -6.088 -3.097 -24.523 174 HA ASN 23 HA ASN 23 -4.900 -1.814 -23.078 175 HB2 ASN 23 HB2 ASN 23 -5.175 -0.305 -25.318 176 HB3 ASN 23 HB3 ASN 23 -5.953 0.779 -24.183 177 HD21 ASN 23 HD21 ASN 23 -3.089 -1.040 -24.933 178 HD22 ASN 23 HD22 ASN 23 -1.933 -0.104 -23.991 179 H LYS 24 H LYS 24 -7.590 -2.628 -22.282 180 HA LYS 24 HA LYS 24 -8.062 -0.611 -20.190 181 HB2 LYS 24 HB2 LYS 24 -9.725 -0.485 -22.128 182 HB3 LYS 24 HB3 LYS 24 -10.230 -2.124 -21.728 183 HG2 LYS 24 HG2 LYS 24 -11.744 -0.542 -20.763 184 HG3 LYS 24 HG3 LYS 24 -10.914 -1.402 -19.463 185 HD2 LYS 24 HD2 LYS 24 -9.559 0.455 -18.883 186 HD3 LYS 24 HD3 LYS 24 -9.800 1.245 -20.446 187 HE2 LYS 24 HE2 LYS 24 -11.817 1.051 -18.186 188 HE3 LYS 24 HE3 LYS 24 -10.981 2.490 -18.792 189 HZ1 LYS 24 HZ1 LYS 24 -12.156 1.955 -20.983 190 HZ2 LYS 24 HZ2 LYS 24 -13.076 2.563 -19.773 191 HZ3 LYS 24 HZ3 LYS 24 -13.097 0.946 -20.107 192 H LEU 25 H LEU 25 -7.837 -1.558 -18.299 193 HA LEU 25 HA LEU 25 -7.087 -4.241 -17.893 194 HB2 LEU 25 HB2 LEU 25 -6.641 -2.444 -16.299 195 HB3 LEU 25 HB3 LEU 25 -8.360 -2.259 -15.976 196 HG LEU 25 HG LEU 25 -8.513 -4.523 -15.033 197 HD11 LEU 25 HD11 LEU 25 -6.367 -5.799 -14.582 198 HD12 LEU 25 HD12 LEU 25 -5.563 -4.747 -15.771 199 HD13 LEU 25 HD13 LEU 25 -6.891 -5.836 -16.256 200 HD21 LEU 25 HD21 LEU 25 -7.223 -4.148 -13.068 201 HD22 LEU 25 HD22 LEU 25 -7.852 -2.592 -13.663 202 HD23 LEU 25 HD23 LEU 25 -6.151 -3.004 -13.924 203 H LYS 26 H LYS 26 -8.227 -5.981 -18.321 204 HA LYS 26 HA LYS 26 -11.178 -5.885 -17.594 205 HB2 LYS 26 HB2 LYS 26 -9.731 -6.928 -19.933 206 HB3 LYS 26 HB3 LYS 26 -10.644 -8.171 -19.104 207 HG2 LYS 26 HG2 LYS 26 -11.949 -7.189 -20.871 208 HG3 LYS 26 HG3 LYS 26 -12.673 -6.866 -19.288 209 HD2 LYS 26 HD2 LYS 26 -11.935 -4.537 -19.349 210 HD3 LYS 26 HD3 LYS 26 -10.853 -4.890 -20.709 211 HE2 LYS 26 HE2 LYS 26 -12.705 -3.720 -21.613 212 HE3 LYS 26 HE3 LYS 26 -12.794 -5.389 -22.142 213 HZ1 LYS 26 HZ1 LYS 26 -14.931 -4.739 -21.541 214 HZ2 LYS 26 HZ2 LYS 26 -14.500 -4.061 -20.141 215 HZ3 LYS 26 HZ3 LYS 26 -14.475 -5.697 -20.287 216 H TYR 27 H TYR 27 -11.929 -8.204 -16.876 217 HA TYR 27 HA TYR 27 -10.039 -9.709 -15.316 218 HB2 TYR 27 HB2 TYR 27 -11.052 -9.329 -13.124 219 HB3 TYR 27 HB3 TYR 27 -10.794 -7.781 -13.819 220 HD1 TYR 27 HD1 TYR 27 -12.708 -6.362 -14.569 221 HD2 TYR 27 HD2 TYR 27 -13.311 -10.285 -12.887 222 HE1 TYR 27 HE1 TYR 27 -15.070 -5.795 -14.087 223 HE2 TYR 27 HE2 TYR 27 -15.673 -9.754 -12.466 224 HH TYR 27 HH TYR 27 -17.114 -7.835 -12.054 225 H LYS 28 H LYS 28 -10.904 -11.816 -14.958 226 HA LYS 28 HA LYS 28 -13.590 -12.550 -16.031 227 HB2 LYS 28 HB2 LYS 28 -10.835 -13.573 -16.836 228 HB3 LYS 28 HB3 LYS 28 -12.161 -14.710 -16.714 229 HG2 LYS 28 HG2 LYS 28 -12.989 -12.404 -18.306 230 HG3 LYS 28 HG3 LYS 28 -11.474 -13.109 -18.910 231 HD2 LYS 28 HD2 LYS 28 -14.055 -14.650 -18.472 232 HD3 LYS 28 HD3 LYS 28 -13.435 -14.054 -20.029 233 HE2 LYS 28 HE2 LYS 28 -11.294 -15.354 -19.546 234 HE3 LYS 28 HE3 LYS 28 -12.131 -16.111 -18.187 235 HZ1 LYS 28 HZ1 LYS 28 -12.831 -16.340 -21.047 236 HZ2 LYS 28 HZ2 LYS 28 -13.751 -16.960 -19.808 237 HZ3 LYS 28 HZ3 LYS 28 -12.200 -17.480 -20.085 238 H THR 29 H THR 29 -14.408 -14.483 -14.890 239 HA THR 29 HA THR 29 -12.816 -16.000 -13.121 240 HB THR 29 HB THR 29 -12.728 -14.042 -11.731 241 HG1 THR 29 HG1 THR 29 -12.943 -15.744 -10.535 242 HG21 THR 29 HG21 THR 29 -14.369 -12.572 -12.415 243 HG22 THR 29 HG22 THR 29 -14.885 -13.058 -10.797 244 HG23 THR 29 HG23 THR 29 -15.674 -13.775 -12.216 245 H ASN 30 H ASN 30 -14.261 -17.463 -11.875 246 HA ASN 30 HA ASN 30 -16.548 -18.253 -13.562 247 HB2 ASN 30 HB2 ASN 30 -14.902 -19.623 -11.412 248 HB3 ASN 30 HB3 ASN 30 -16.469 -20.258 -11.882 249 HD21 ASN 30 HD21 ASN 30 -16.847 -20.980 -14.053 250 HD22 ASN 30 HD22 ASN 30 -15.505 -21.273 -15.159 251 H ARG 31 H ARG 31 -15.973 -16.719 -10.460 252 HA ARG 31 HA ARG 31 -18.880 -16.954 -9.804 253 HB2 ARG 31 HB2 ARG 31 -18.424 -16.574 -7.535 254 HB3 ARG 31 HB3 ARG 31 -17.416 -17.910 -8.037 255 HG2 ARG 31 HG2 ARG 31 -16.401 -15.042 -7.762 256 HG3 ARG 31 HG3 ARG 31 -16.412 -16.175 -6.431 257 HD2 ARG 31 HD2 ARG 31 -14.933 -16.609 -9.005 258 HD3 ARG 31 HD3 ARG 31 -14.216 -15.968 -7.527 259 HE ARG 31 HE ARG 31 -15.156 -18.262 -6.560 260 HH11 ARG 31 HH11 ARG 31 -13.190 -17.710 -9.495 261 HH12 ARG 31 HH12 ARG 31 -12.725 -19.379 -9.597 262 HH21 ARG 31 HH21 ARG 31 -14.315 -20.340 -6.633 263 HH22 ARG 31 HH22 ARG 31 -13.295 -20.870 -7.928 264 H ASP 32 H ASP 32 -19.889 -15.028 -9.032 265 HA ASP 32 HA ASP 32 -18.658 -12.545 -10.153 266 HB2 ASP 32 HB2 ASP 32 -21.073 -11.840 -10.488 267 HB3 ASP 32 HB3 ASP 32 -20.439 -13.113 -11.529 268 H SER 33 H SER 33 -19.751 -14.045 -7.303 269 HA SER 33 HA SER 33 -20.250 -11.467 -5.929 270 HB2 SER 33 HB2 SER 33 -21.657 -13.505 -5.579 271 HB3 SER 33 HB3 SER 33 -20.268 -14.267 -4.787 272 HG SER 33 HG SER 33 -21.224 -13.330 -3.116 273 H ILE 34 H ILE 34 -17.918 -11.251 -6.881 274 HA ILE 34 HA ILE 34 -15.669 -12.275 -5.349 275 HB ILE 34 HB ILE 34 -14.405 -10.784 -6.911 276 HG12 ILE 34 HG12 ILE 34 -16.081 -9.835 -8.808 277 HG13 ILE 34 HG13 ILE 34 -17.119 -9.580 -7.436 278 HG21 ILE 34 HG21 ILE 34 -16.532 -12.350 -8.395 279 HG22 ILE 34 HG22 ILE 34 -14.842 -12.061 -8.832 280 HG23 ILE 34 HG23 ILE 34 -15.202 -13.090 -7.466 281 HD11 ILE 34 HD11 ILE 34 -15.723 -7.606 -7.991 282 HD12 ILE 34 HD12 ILE 34 -15.440 -8.186 -6.346 283 HD13 ILE 34 HD13 ILE 34 -14.257 -8.535 -7.625 284 HA PRO 35 HA PRO 35 -15.437 -9.089 -2.305 285 HB2 PRO 35 HB2 PRO 35 -12.809 -8.590 -1.924 286 HB3 PRO 35 HB3 PRO 35 -13.523 -10.181 -1.527 287 HG2 PRO 35 HG2 PRO 35 -12.011 -9.414 -4.007 288 HG3 PRO 35 HG3 PRO 35 -11.779 -10.859 -2.977 289 HD2 PRO 35 HD2 PRO 35 -13.256 -10.903 -5.257 290 HD3 PRO 35 HD3 PRO 35 -13.685 -11.886 -3.843 291 H SER 36 H SER 36 -15.928 -6.936 -2.514 292 HA SER 36 HA SER 36 -15.560 -5.522 -4.905 293 HB2 SER 36 HB2 SER 36 -15.953 -4.281 -2.167 294 HB3 SER 36 HB3 SER 36 -16.443 -3.622 -3.744 295 HG SER 36 HG SER 36 -17.709 -5.630 -3.947 296 H GLU 37 H GLU 37 -13.267 -5.910 -2.271 297 HA GLU 37 HA GLU 37 -11.695 -3.606 -2.582 298 HB2 GLU 37 HB2 GLU 37 -10.010 -4.777 -1.408 299 HB3 GLU 37 HB3 GLU 37 -11.523 -5.476 -0.822 300 HG2 GLU 37 HG2 GLU 37 -11.152 -7.344 -2.563 301 HG3 GLU 37 HG3 GLU 37 -9.547 -6.662 -2.804 302 H LEU 38 H LEU 38 -12.012 -6.470 -4.598 303 HA LEU 38 HA LEU 38 -9.629 -6.067 -6.004 304 HB2 LEU 38 HB2 LEU 38 -11.882 -7.926 -6.285 305 HB3 LEU 38 HB3 LEU 38 -11.118 -7.561 -7.829 306 HG LEU 38 HG LEU 38 -8.994 -8.353 -7.138 307 HD11 LEU 38 HD11 LEU 38 -9.986 -8.731 -4.274 308 HD12 LEU 38 HD12 LEU 38 -8.735 -7.584 -4.797 309 HD13 LEU 38 HD13 LEU 38 -8.439 -9.304 -4.927 310 HD21 LEU 38 HD21 LEU 38 -9.541 -10.686 -6.474 311 HD22 LEU 38 HD22 LEU 38 -10.630 -10.024 -7.710 312 HD23 LEU 38 HD23 LEU 38 -11.169 -10.154 -6.006 313 H LEU 39 H LEU 39 -12.970 -5.259 -6.900 314 HA LEU 39 HA LEU 39 -12.400 -4.033 -9.386 315 HB2 LEU 39 HB2 LEU 39 -14.592 -3.618 -7.334 316 HB3 LEU 39 HB3 LEU 39 -14.547 -2.645 -8.801 317 HG LEU 39 HG LEU 39 -14.490 -5.677 -8.947 318 HD11 LEU 39 HD11 LEU 39 -16.920 -3.832 -8.874 319 HD12 LEU 39 HD12 LEU 39 -16.454 -5.031 -7.659 320 HD13 LEU 39 HD13 LEU 39 -16.951 -5.571 -9.271 321 HD21 LEU 39 HD21 LEU 39 -15.428 -5.304 -11.191 322 HD22 LEU 39 HD22 LEU 39 -13.911 -4.414 -11.034 323 HD23 LEU 39 HD23 LEU 39 -15.456 -3.550 -10.921 324 H GLU 40 H GLU 40 -12.253 -2.703 -6.107 325 HA GLU 40 HA GLU 40 -11.891 0.019 -7.011 326 HB2 GLU 40 HB2 GLU 40 -11.324 -1.247 -4.294 327 HB3 GLU 40 HB3 GLU 40 -11.275 0.485 -4.682 328 HG2 GLU 40 HG2 GLU 40 -13.725 0.078 -5.591 329 HG3 GLU 40 HG3 GLU 40 -13.691 -1.342 -4.559 330 H GLU 41 H GLU 41 -9.543 -2.464 -5.680 331 HA GLU 41 HA GLU 41 -7.337 -0.719 -6.028 332 HB2 GLU 41 HB2 GLU 41 -7.559 -2.997 -4.746 333 HB3 GLU 41 HB3 GLU 41 -7.052 -3.688 -6.281 334 HG2 GLU 41 HG2 GLU 41 -5.075 -3.399 -4.941 335 HG3 GLU 41 HG3 GLU 41 -5.008 -2.268 -6.294 336 H TRP 42 H TRP 42 -8.947 -2.952 -8.283 337 HA TRP 42 HA TRP 42 -7.015 -2.868 -10.358 338 HB2 TRP 42 HB2 TRP 42 -10.039 -3.073 -10.478 339 HB3 TRP 42 HB3 TRP 42 -8.991 -3.269 -11.871 340 HD1 TRP 42 HD1 TRP 42 -6.867 -4.993 -9.840 341 HE1 TRP 42 HE1 TRP 42 -7.436 -7.421 -9.313 342 HE3 TRP 42 HE3 TRP 42 -11.775 -5.024 -11.262 343 HZ2 TRP 42 HZ2 TRP 42 -9.604 -9.236 -9.740 344 HZ3 TRP 42 HZ3 TRP 42 -13.081 -7.132 -11.192 345 HH2 TRP 42 HH2 TRP 42 -11.973 -9.242 -10.495 346 H LYS 43 H LYS 43 -9.685 -0.622 -9.571 347 HA LYS 43 HA LYS 43 -9.163 1.043 -11.932 348 HB2 LYS 43 HB2 LYS 43 -11.388 1.045 -10.990 349 HB3 LYS 43 HB3 LYS 43 -10.808 1.453 -9.383 350 HG2 LYS 43 HG2 LYS 43 -10.208 3.346 -11.657 351 HG3 LYS 43 HG3 LYS 43 -11.861 3.270 -11.053 352 HD2 LYS 43 HD2 LYS 43 -11.272 3.961 -8.880 353 HD3 LYS 43 HD3 LYS 43 -9.547 3.709 -9.116 354 HE2 LYS 43 HE2 LYS 43 -9.406 5.518 -10.744 355 HE3 LYS 43 HE3 LYS 43 -11.164 5.734 -10.681 356 HZ1 LYS 43 HZ1 LYS 43 -10.977 6.319 -8.392 357 HZ2 LYS 43 HZ2 LYS 43 -10.104 7.356 -9.298 358 HZ3 LYS 43 HZ3 LYS 43 -9.324 6.202 -8.413 359 H GLN 44 H GLN 44 -8.107 1.014 -8.530 360 HA GLN 44 HA GLN 44 -6.916 3.623 -8.543 361 HB2 GLN 44 HB2 GLN 44 -6.401 1.128 -6.884 362 HB3 GLN 44 HB3 GLN 44 -5.580 2.668 -6.602 363 HG2 GLN 44 HG2 GLN 44 -7.642 3.800 -6.103 364 HG3 GLN 44 HG3 GLN 44 -8.608 2.423 -6.566 365 HE21 GLN 44 HE21 GLN 44 -5.925 1.068 -4.733 366 HE22 GLN 44 HE22 GLN 44 -6.807 1.059 -3.257 367 H HIS 45 H HIS 45 -5.557 0.351 -9.226 368 HA HIS 45 HA HIS 45 -3.130 1.670 -10.264 369 HB2 HIS 45 HB2 HIS 45 -3.648 -1.095 -9.175 370 HB3 HIS 45 HB3 HIS 45 -2.161 -0.649 -9.995 371 HD1 HIS 45 HD1 HIS 45 -0.298 -0.037 -8.285 372 HD2 HIS 45 HD2 HIS 45 -4.198 0.990 -7.065 373 HE1 HIS 45 HE1 HIS 45 -0.130 0.964 -5.957 374 H LYS 46 H LYS 46 -5.751 1.336 -11.800 375 HA LYS 46 HA LYS 46 -5.609 -0.654 -13.710 376 HB2 LYS 46 HB2 LYS 46 -6.963 0.817 -15.187 377 HB3 LYS 46 HB3 LYS 46 -7.554 0.704 -13.538 378 HG2 LYS 46 HG2 LYS 46 -7.820 2.923 -13.772 379 HG3 LYS 46 HG3 LYS 46 -6.182 2.904 -13.168 380 HD2 LYS 46 HD2 LYS 46 -5.695 4.263 -14.847 381 HD3 LYS 46 HD3 LYS 46 -5.732 2.834 -15.900 382 HE2 LYS 46 HE2 LYS 46 -8.063 3.267 -16.463 383 HE3 LYS 46 HE3 LYS 46 -8.130 4.620 -15.326 384 HZ1 LYS 46 HZ1 LYS 46 -6.470 5.770 -16.687 385 HZ2 LYS 46 HZ2 LYS 46 -7.771 5.353 -17.622 386 HZ3 LYS 46 HZ3 LYS 46 -6.370 4.505 -17.701 387 H GLN 47 H GLN 47 -3.898 2.459 -13.775 388 HA GLN 47 HA GLN 47 -3.025 2.213 -16.436 389 HB2 GLN 47 HB2 GLN 47 -3.155 4.277 -14.982 390 HB3 GLN 47 HB3 GLN 47 -1.774 3.680 -14.076 391 HG2 GLN 47 HG2 GLN 47 -1.153 5.384 -15.752 392 HG3 GLN 47 HG3 GLN 47 -0.381 3.827 -16.120 393 HE21 GLN 47 HE21 GLN 47 -1.013 2.675 -17.995 394 HE22 GLN 47 HE22 GLN 47 -2.032 3.385 -19.218 395 H GLU 48 H GLU 48 -1.383 1.434 -13.365 396 HA GLU 48 HA GLU 48 1.017 0.413 -14.470 397 HB2 GLU 48 HB2 GLU 48 -0.224 -0.515 -11.852 398 HB3 GLU 48 HB3 GLU 48 1.473 -0.322 -12.246 399 HG2 GLU 48 HG2 GLU 48 -0.577 1.896 -11.808 400 HG3 GLU 48 HG3 GLU 48 0.619 1.378 -10.661 401 H LEU 49 H LEU 49 -1.986 -1.127 -13.400 402 HA LEU 49 HA LEU 49 -1.304 -3.845 -13.770 403 HB2 LEU 49 HB2 LEU 49 -3.878 -2.288 -13.677 404 HB3 LEU 49 HB3 LEU 49 -3.962 -3.972 -14.142 405 HG LEU 49 HG LEU 49 -2.493 -3.159 -11.611 406 HD11 LEU 49 HD11 LEU 49 -4.864 -2.317 -11.536 407 HD12 LEU 49 HD12 LEU 49 -4.513 -3.568 -10.339 408 HD13 LEU 49 HD13 LEU 49 -5.409 -3.994 -11.795 409 HD21 LEU 49 HD21 LEU 49 -3.026 -5.524 -11.024 410 HD22 LEU 49 HD22 LEU 49 -2.090 -5.457 -12.508 411 HD23 LEU 49 HD23 LEU 49 -3.833 -5.742 -12.580 412 H ILE 50 H ILE 50 -2.615 -1.545 -16.084 413 HA ILE 50 HA ILE 50 -3.080 -3.508 -18.172 414 HB ILE 50 HB ILE 50 -2.888 -0.456 -18.081 415 HG12 ILE 50 HG12 ILE 50 -5.195 -2.330 -18.760 416 HG13 ILE 50 HG13 ILE 50 -4.848 -1.789 -17.136 417 HG21 ILE 50 HG21 ILE 50 -3.521 -2.091 -20.546 418 HG22 ILE 50 HG22 ILE 50 -3.662 -0.332 -20.404 419 HG23 ILE 50 HG23 ILE 50 -2.077 -1.081 -20.325 420 HD11 ILE 50 HD11 ILE 50 -5.727 -0.141 -19.480 421 HD12 ILE 50 HD12 ILE 50 -6.541 -0.347 -17.922 422 HD13 ILE 50 HD13 ILE 50 -5.047 0.610 -18.014 423 H ASP 51 H ASP 51 -0.424 -1.097 -17.474 424 HA ASP 51 HA ASP 51 1.096 -1.937 -19.693 425 HB2 ASP 51 HB2 ASP 51 1.289 0.110 -17.960 426 HB3 ASP 51 HB3 ASP 51 2.593 -0.911 -17.341 427 H PHE 52 H PHE 52 0.930 -3.251 -16.419 428 HA PHE 52 HA PHE 52 3.244 -5.015 -16.670 429 HB2 PHE 52 HB2 PHE 52 2.494 -4.238 -14.492 430 HB3 PHE 52 HB3 PHE 52 0.876 -4.870 -14.776 431 HD1 PHE 52 HD1 PHE 52 4.457 -5.863 -14.405 432 HD2 PHE 52 HD2 PHE 52 0.387 -7.212 -14.390 433 HE1 PHE 52 HE1 PHE 52 5.194 -8.071 -13.502 434 HE2 PHE 52 HE2 PHE 52 1.125 -9.436 -13.514 435 HZ PHE 52 HZ PHE 52 3.530 -9.852 -13.087 436 H LEU 53 H LEU 53 -0.312 -5.344 -17.154 437 HA LEU 53 HA LEU 53 -0.097 -8.212 -17.582 438 HB2 LEU 53 HB2 LEU 53 -2.275 -6.201 -17.867 439 HB3 LEU 53 HB3 LEU 53 -2.500 -7.862 -18.429 440 HG LEU 53 HG LEU 53 -1.565 -7.264 -15.570 441 HD11 LEU 53 HD11 LEU 53 -4.453 -7.666 -16.431 442 HD12 LEU 53 HD12 LEU 53 -3.730 -6.091 -16.032 443 HD13 LEU 53 HD13 LEU 53 -3.806 -7.340 -14.792 444 HD21 LEU 53 HD21 LEU 53 -2.662 -9.500 -15.164 445 HD22 LEU 53 HD22 LEU 53 -1.235 -9.547 -16.190 446 HD23 LEU 53 HD23 LEU 53 -2.846 -9.671 -16.920 447 H THR 54 H THR 54 -0.414 -5.346 -19.740 448 HA THR 54 HA THR 54 -0.537 -6.912 -22.078 449 HB THR 54 HB THR 54 -1.186 -4.535 -21.674 450 HG1 THR 54 HG1 THR 54 -0.368 -3.808 -23.812 451 HG21 THR 54 HG21 THR 54 0.191 -2.706 -21.805 452 HG22 THR 54 HG22 THR 54 1.575 -3.650 -22.455 453 HG23 THR 54 HG23 THR 54 1.053 -3.821 -20.770 454 H GLN 55 H GLN 55 2.320 -5.756 -20.240 455 HA GLN 55 HA GLN 55 4.129 -6.389 -22.420 456 HB2 GLN 55 HB2 GLN 55 5.854 -5.912 -20.911 457 HB3 GLN 55 HB3 GLN 55 4.507 -4.820 -20.535 458 HG2 GLN 55 HG2 GLN 55 4.796 -5.491 -18.382 459 HG3 GLN 55 HG3 GLN 55 3.975 -6.937 -18.860 460 HE21 GLN 55 HE21 GLN 55 5.048 -8.892 -18.655 461 HE22 GLN 55 HE22 GLN 55 6.719 -9.045 -18.284 462 H LEU 56 H LEU 56 2.488 -8.314 -20.038 463 HA LEU 56 HA LEU 56 4.320 -10.558 -20.371 464 HB2 LEU 56 HB2 LEU 56 3.537 -11.308 -18.425 465 HB3 LEU 56 HB3 LEU 56 2.928 -9.675 -18.252 466 HG LEU 56 HG LEU 56 0.712 -10.610 -19.248 467 HD11 LEU 56 HD11 LEU 56 1.973 -12.910 -19.769 468 HD12 LEU 56 HD12 LEU 56 0.282 -12.847 -19.283 469 HD13 LEU 56 HD13 LEU 56 1.578 -13.236 -18.096 470 HD21 LEU 56 HD21 LEU 56 1.654 -11.537 -16.508 471 HD22 LEU 56 HD22 LEU 56 -0.037 -11.276 -17.050 472 HD23 LEU 56 HD23 LEU 56 1.086 -9.912 -16.894 473 H GLU 57 H GLU 57 1.099 -9.439 -21.394 474 HA GLU 57 HA GLU 57 0.137 -11.781 -22.659 475 HB2 GLU 57 HB2 GLU 57 -1.066 -9.623 -21.957 476 HB3 GLU 57 HB3 GLU 57 -0.384 -8.875 -23.399 477 HG2 GLU 57 HG2 GLU 57 -1.648 -10.741 -24.715 478 HG3 GLU 57 HG3 GLU 57 -2.433 -11.114 -23.186 479 H SER 58 H SER 58 2.814 -10.002 -23.448 480 HA SER 58 HA SER 58 2.768 -10.335 -26.397 481 HB2 SER 58 HB2 SER 58 3.466 -8.209 -25.068 482 HB3 SER 58 HB3 SER 58 4.866 -9.173 -24.545 483 HG SER 58 HG SER 58 5.050 -9.500 -26.994 484 H GLU 59 H GLU 59 3.864 -11.864 -23.507 485 HA GLU 59 HA GLU 59 6.118 -13.309 -24.785 486 HB2 GLU 59 HB2 GLU 59 5.361 -12.605 -21.935 487 HB3 GLU 59 HB3 GLU 59 6.346 -14.020 -22.243 488 HG2 GLU 59 HG2 GLU 59 7.876 -12.529 -23.656 489 HG3 GLU 59 HG3 GLU 59 6.980 -11.149 -23.007 490 H GLU 60 H GLU 60 6.341 -15.589 -24.112 491 HA GLU 60 HA GLU 60 3.968 -17.084 -24.823 492 HB2 GLU 60 HB2 GLU 60 6.621 -18.208 -23.921 493 HB3 GLU 60 HB3 GLU 60 5.469 -18.913 -25.048 494 HG2 GLU 60 HG2 GLU 60 7.223 -16.464 -25.588 495 HG3 GLU 60 HG3 GLU 60 7.615 -18.103 -26.020 496 H GLU 61 H GLU 61 4.557 -15.724 -22.056 497 HA GLU 61 HA GLU 61 4.793 -17.449 -19.894 498 HB2 GLU 61 HB2 GLU 61 4.859 -15.006 -19.792 499 HB3 GLU 61 HB3 GLU 61 3.173 -14.903 -20.274 500 HG2 GLU 61 HG2 GLU 61 3.390 -14.459 -17.922 501 HG3 GLU 61 HG3 GLU 61 2.471 -15.943 -18.140 502 H SER 62 H SER 62 1.747 -16.393 -21.437 503 HA SER 62 HA SER 62 0.470 -18.767 -21.606 504 HB2 SER 62 HB2 SER 62 -1.302 -18.690 -19.902 505 HB3 SER 62 HB3 SER 62 0.276 -19.194 -19.344 506 HG SER 62 HG SER 62 -0.731 -17.836 -17.866 Start of MODEL 18 1 H1 MET 1 H MET 1 3.699 -1.305 0.399 2 HA MET 1 HA MET 1 1.643 0.107 -1.167 3 HB2 MET 1 HB2 MET 1 3.411 0.981 -2.595 4 HB3 MET 1 HB3 MET 1 3.580 1.565 -0.947 5 HG2 MET 1 HG2 MET 1 5.488 0.224 -0.543 6 HG3 MET 1 HG3 MET 1 5.173 -0.816 -1.928 7 HE1 MET 1 HE1 MET 1 7.968 -0.168 -1.561 8 HE2 MET 1 HE2 MET 1 7.332 -0.937 -3.031 9 HE3 MET 1 HE3 MET 1 8.472 0.422 -3.160 10 H LYS 2 H LYS 2 1.025 -0.863 -3.082 11 HA LYS 2 HA LYS 2 2.332 -3.505 -3.752 12 HB2 LYS 2 HB2 LYS 2 -0.585 -2.653 -3.970 13 HB3 LYS 2 HB3 LYS 2 0.099 -4.073 -4.704 14 HG2 LYS 2 HG2 LYS 2 -0.537 -5.130 -2.795 15 HG3 LYS 2 HG3 LYS 2 1.002 -4.541 -2.204 16 HD2 LYS 2 HD2 LYS 2 -0.656 -4.087 -0.537 17 HD3 LYS 2 HD3 LYS 2 -0.207 -2.539 -1.264 18 HE2 LYS 2 HE2 LYS 2 -2.250 -2.849 -2.815 19 HE3 LYS 2 HE3 LYS 2 -2.708 -4.212 -1.801 20 HZ1 LYS 2 HZ1 LYS 2 -2.801 -2.670 0.068 21 HZ2 LYS 2 HZ2 LYS 2 -3.786 -2.169 -1.169 22 HZ3 LYS 2 HZ3 LYS 2 -2.337 -1.419 -0.894 23 H ASN 3 H ASN 3 1.748 -4.062 -5.995 24 HA ASN 3 HA ASN 3 2.207 -1.921 -7.938 25 HB2 ASN 3 HB2 ASN 3 4.111 -3.213 -8.879 26 HB3 ASN 3 HB3 ASN 3 4.430 -2.848 -7.184 27 HD21 ASN 3 HD21 ASN 3 4.385 -5.573 -9.408 28 HD22 ASN 3 HD22 ASN 3 4.045 -6.675 -8.009 29 H ALA 4 H ALA 4 1.983 -2.994 -10.180 30 HA ALA 4 HA ALA 4 -0.509 -4.087 -10.500 31 HB1 ALA 4 HB1 ALA 4 0.709 -3.141 -12.334 32 HB2 ALA 4 HB2 ALA 4 1.974 -4.390 -12.225 33 HB3 ALA 4 HB3 ALA 4 0.338 -4.828 -12.736 34 H ALA 5 H ALA 5 2.527 -6.034 -10.322 35 HA ALA 5 HA ALA 5 1.266 -8.507 -10.807 36 HB1 ALA 5 HB1 ALA 5 3.270 -9.539 -10.106 37 HB2 ALA 5 HB2 ALA 5 3.837 -7.935 -10.640 38 HB3 ALA 5 HB3 ALA 5 3.614 -8.285 -8.914 39 H LYS 6 H LYS 6 1.533 -6.608 -7.691 40 HA LYS 6 HA LYS 6 0.936 -8.782 -6.064 41 HB2 LYS 6 HB2 LYS 6 1.515 -5.977 -5.916 42 HB3 LYS 6 HB3 LYS 6 -0.077 -6.169 -5.187 43 HG2 LYS 6 HG2 LYS 6 1.064 -6.693 -3.337 44 HG3 LYS 6 HG3 LYS 6 1.224 -8.280 -4.105 45 HD2 LYS 6 HD2 LYS 6 3.293 -6.084 -4.215 46 HD3 LYS 6 HD3 LYS 6 3.334 -7.439 -3.118 47 HE2 LYS 6 HE2 LYS 6 3.249 -9.059 -4.987 48 HE3 LYS 6 HE3 LYS 6 3.206 -7.724 -6.138 49 HZ1 LYS 6 HZ1 LYS 6 5.440 -8.312 -4.312 50 HZ2 LYS 6 HZ2 LYS 6 5.380 -7.004 -5.305 51 HZ3 LYS 6 HZ3 LYS 6 5.415 -8.539 -5.942 52 H ILE 7 H ILE 7 -1.206 -6.267 -7.470 53 HA ILE 7 HA ILE 7 -3.533 -7.442 -6.308 54 HB ILE 7 HB ILE 7 -3.852 -5.862 -8.844 55 HG12 ILE 7 HG12 ILE 7 -3.905 -3.880 -6.909 56 HG13 ILE 7 HG13 ILE 7 -2.548 -4.825 -6.345 57 HG21 ILE 7 HG21 ILE 7 -5.278 -5.790 -6.174 58 HG22 ILE 7 HG22 ILE 7 -5.794 -5.009 -7.662 59 HG23 ILE 7 HG23 ILE 7 -5.804 -6.782 -7.538 60 HD11 ILE 7 HD11 ILE 7 -2.964 -3.459 -8.992 61 HD12 ILE 7 HD12 ILE 7 -1.704 -3.151 -7.783 62 HD13 ILE 7 HD13 ILE 7 -1.681 -4.658 -8.746 63 H VAL 8 H VAL 8 -1.766 -8.193 -9.244 64 HA VAL 8 HA VAL 8 -3.775 -9.876 -10.462 65 HB VAL 8 HB VAL 8 -0.744 -9.798 -10.661 66 HG11 VAL 8 HG11 VAL 8 -1.446 -12.059 -11.268 67 HG12 VAL 8 HG12 VAL 8 -2.714 -11.397 -12.316 68 HG13 VAL 8 HG13 VAL 8 -0.997 -11.174 -12.737 69 HG21 VAL 8 HG21 VAL 8 -2.747 -8.988 -12.793 70 HG22 VAL 8 HG22 VAL 8 -2.152 -7.838 -11.600 71 HG23 VAL 8 HG23 VAL 8 -1.020 -8.614 -12.711 72 H ASN 9 H ASN 9 -0.943 -10.630 -8.418 73 HA ASN 9 HA ASN 9 -1.438 -13.378 -8.093 74 HB2 ASN 9 HB2 ASN 9 0.417 -13.280 -6.904 75 HB3 ASN 9 HB3 ASN 9 0.403 -11.537 -7.083 76 HD21 ASN 9 HD21 ASN 9 -0.410 -10.253 -5.196 77 HD22 ASN 9 HD22 ASN 9 -0.422 -10.985 -3.625 78 H GLU 10 H GLU 10 -2.872 -10.665 -6.249 79 HA GLU 10 HA GLU 10 -4.225 -12.399 -4.380 80 HB2 GLU 10 HB2 GLU 10 -4.474 -9.501 -5.199 81 HB3 GLU 10 HB3 GLU 10 -5.651 -10.248 -4.090 82 HG2 GLU 10 HG2 GLU 10 -3.947 -10.810 -2.490 83 HG3 GLU 10 HG3 GLU 10 -2.653 -10.390 -3.608 84 H ALA 11 H ALA 11 -5.133 -10.958 -7.566 85 HA ALA 11 HA ALA 11 -7.847 -11.776 -7.466 86 HB1 ALA 11 HB1 ALA 11 -6.950 -10.158 -9.106 87 HB2 ALA 11 HB2 ALA 11 -6.049 -11.461 -9.917 88 HB3 ALA 11 HB3 ALA 11 -7.811 -11.483 -9.910 89 H LEU 12 H LEU 12 -4.958 -13.432 -8.789 90 HA LEU 12 HA LEU 12 -6.270 -15.789 -9.685 91 HB2 LEU 12 HB2 LEU 12 -3.534 -15.646 -8.417 92 HB3 LEU 12 HB3 LEU 12 -4.093 -16.906 -9.506 93 HG LEU 12 HG LEU 12 -3.464 -14.014 -10.237 94 HD11 LEU 12 HD11 LEU 12 -1.594 -14.834 -11.425 95 HD12 LEU 12 HD12 LEU 12 -2.069 -16.521 -11.161 96 HD13 LEU 12 HD13 LEU 12 -1.528 -15.525 -9.797 97 HD21 LEU 12 HD21 LEU 12 -4.671 -16.283 -11.856 98 HD22 LEU 12 HD22 LEU 12 -3.725 -15.025 -12.643 99 HD23 LEU 12 HD23 LEU 12 -5.209 -14.601 -11.740 100 H ASN 13 H ASN 13 -5.009 -14.959 -6.458 101 HA ASN 13 HA ASN 13 -5.365 -17.490 -5.224 102 HB2 ASN 13 HB2 ASN 13 -5.174 -14.656 -4.200 103 HB3 ASN 13 HB3 ASN 13 -5.842 -15.872 -3.132 104 HD21 ASN 13 HD21 ASN 13 -2.929 -14.995 -5.006 105 HD22 ASN 13 HD22 ASN 13 -1.836 -16.055 -4.185 106 H GLN 14 H GLN 14 -7.671 -14.790 -5.669 107 HA GLN 14 HA GLN 14 -9.822 -16.282 -4.349 108 HB2 GLN 14 HB2 GLN 14 -9.489 -13.553 -5.583 109 HB3 GLN 14 HB3 GLN 14 -11.122 -14.208 -5.415 110 HG2 GLN 14 HG2 GLN 14 -10.605 -12.850 -3.494 111 HG3 GLN 14 HG3 GLN 14 -10.820 -14.529 -3.016 112 HE21 GLN 14 HE21 GLN 14 -8.372 -11.939 -3.533 113 HE22 GLN 14 HE22 GLN 14 -7.181 -12.684 -2.519 114 H GLY 15 H GLY 15 -8.395 -16.756 -7.283 115 HA2 GLY 15 HA2 GLY 15 -9.035 -18.247 -8.923 116 HA3 GLY 15 HA3 GLY 15 -10.693 -18.281 -8.274 117 H ILE 16 H ILE 16 -8.782 -15.385 -9.204 118 HA ILE 16 HA ILE 16 -10.704 -14.923 -11.416 119 HB ILE 16 HB ILE 16 -9.426 -13.008 -9.455 120 HG12 ILE 16 HG12 ILE 16 -12.392 -13.057 -9.864 121 HG13 ILE 16 HG13 ILE 16 -11.744 -14.497 -9.124 122 HG21 ILE 16 HG21 ILE 16 -11.221 -12.140 -11.737 123 HG22 ILE 16 HG22 ILE 16 -10.590 -11.161 -10.408 124 HG23 ILE 16 HG23 ILE 16 -9.477 -11.803 -11.588 125 HD11 ILE 16 HD11 ILE 16 -11.657 -11.695 -8.086 126 HD12 ILE 16 HD12 ILE 16 -12.281 -13.161 -7.316 127 HD13 ILE 16 HD13 ILE 16 -10.529 -12.941 -7.473 128 H THR 17 H THR 17 -9.800 -13.589 -13.176 129 HA THR 17 HA THR 17 -6.892 -14.041 -13.658 130 HB THR 17 HB THR 17 -9.235 -14.537 -15.527 131 HG1 THR 17 HG1 THR 17 -8.883 -16.271 -14.180 132 HG21 THR 17 HG21 THR 17 -7.409 -13.503 -16.783 133 HG22 THR 17 HG22 THR 17 -7.510 -15.208 -17.205 134 HG23 THR 17 HG23 THR 17 -6.243 -14.649 -16.084 135 H LEU 18 H LEU 18 -6.038 -12.005 -13.953 136 HA LEU 18 HA LEU 18 -7.857 -9.802 -14.818 137 HB2 LEU 18 HB2 LEU 18 -5.070 -9.911 -13.604 138 HB3 LEU 18 HB3 LEU 18 -5.697 -8.492 -14.470 139 HG LEU 18 HG LEU 18 -7.060 -9.702 -12.052 140 HD11 LEU 18 HD11 LEU 18 -4.670 -8.604 -11.810 141 HD12 LEU 18 HD12 LEU 18 -5.945 -8.228 -10.676 142 HD13 LEU 18 HD13 LEU 18 -5.540 -7.086 -11.985 143 HD21 LEU 18 HD21 LEU 18 -8.740 -8.406 -12.851 144 HD22 LEU 18 HD22 LEU 18 -7.683 -7.467 -13.925 145 HD23 LEU 18 HD23 LEU 18 -7.800 -7.039 -12.237 146 H PHE 19 H PHE 19 -7.746 -9.144 -16.928 147 HA PHE 19 HA PHE 19 -5.389 -9.687 -18.554 148 HB2 PHE 19 HB2 PHE 19 -6.369 -10.877 -20.218 149 HB3 PHE 19 HB3 PHE 19 -7.029 -11.726 -18.803 150 HD1 PHE 19 HD1 PHE 19 -7.764 -9.745 -21.823 151 HD2 PHE 19 HD2 PHE 19 -9.458 -11.159 -18.107 152 HE1 PHE 19 HE1 PHE 19 -10.024 -9.409 -22.732 153 HE2 PHE 19 HE2 PHE 19 -11.735 -10.639 -18.984 154 HZ PHE 19 HZ PHE 19 -12.036 -9.843 -21.315 155 H VAL 20 H VAL 20 -5.319 -7.994 -20.121 156 HA VAL 20 HA VAL 20 -7.419 -5.877 -19.784 157 HB VAL 20 HB VAL 20 -4.774 -6.112 -20.917 158 HG11 VAL 20 HG11 VAL 20 -4.477 -3.874 -21.425 159 HG12 VAL 20 HG12 VAL 20 -6.021 -4.295 -22.110 160 HG13 VAL 20 HG13 VAL 20 -5.967 -3.401 -20.572 161 HG21 VAL 20 HG21 VAL 20 -3.648 -5.139 -19.259 162 HG22 VAL 20 HG22 VAL 20 -5.101 -4.476 -18.475 163 HG23 VAL 20 HG23 VAL 20 -4.740 -6.211 -18.434 164 H SER 21 H SER 21 -8.593 -5.171 -21.467 165 HA SER 21 HA SER 21 -8.397 -6.529 -24.126 166 HB2 SER 21 HB2 SER 21 -10.304 -7.245 -22.491 167 HB3 SER 21 HB3 SER 21 -10.874 -5.581 -22.725 168 HG SER 21 HG SER 21 -10.533 -7.541 -24.762 169 H ASP 22 H ASP 22 -7.746 -4.891 -25.489 170 HA ASP 22 HA ASP 22 -7.507 -2.830 -26.457 171 HB2 ASP 22 HB2 ASP 22 -9.865 -3.240 -27.073 172 HB3 ASP 22 HB3 ASP 22 -10.402 -2.560 -25.564 173 H ASN 23 H ASN 23 -6.233 -2.935 -24.335 174 HA ASN 23 HA ASN 23 -5.111 -1.662 -22.760 175 HB2 ASN 23 HB2 ASN 23 -5.388 -0.142 -24.932 176 HB3 ASN 23 HB3 ASN 23 -6.309 0.886 -23.881 177 HD21 ASN 23 HD21 ASN 23 -3.216 -0.908 -24.140 178 HD22 ASN 23 HD22 ASN 23 -2.319 0.143 -23.056 179 H LYS 24 H LYS 24 -7.730 -2.554 -22.047 180 HA LYS 24 HA LYS 24 -8.321 -0.604 -19.903 181 HB2 LYS 24 HB2 LYS 24 -9.942 -0.305 -21.727 182 HB3 LYS 24 HB3 LYS 24 -10.376 -2.004 -21.668 183 HG2 LYS 24 HG2 LYS 24 -12.023 -0.684 -20.458 184 HG3 LYS 24 HG3 LYS 24 -11.209 -1.772 -19.339 185 HD2 LYS 24 HD2 LYS 24 -9.972 0.004 -18.309 186 HD3 LYS 24 HD3 LYS 24 -10.240 1.071 -19.698 187 HE2 LYS 24 HE2 LYS 24 -12.791 0.667 -19.069 188 HE3 LYS 24 HE3 LYS 24 -12.140 0.380 -17.442 189 HZ1 LYS 24 HZ1 LYS 24 -11.422 2.659 -17.410 190 HZ2 LYS 24 HZ2 LYS 24 -12.859 2.698 -18.190 191 HZ3 LYS 24 HZ3 LYS 24 -11.495 2.778 -19.057 192 H LEU 25 H LEU 25 -7.814 -1.614 -18.153 193 HA LEU 25 HA LEU 25 -7.093 -4.300 -17.858 194 HB2 LEU 25 HB2 LEU 25 -6.465 -2.597 -16.235 195 HB3 LEU 25 HB3 LEU 25 -8.162 -2.265 -15.865 196 HG LEU 25 HG LEU 25 -8.432 -4.580 -14.950 197 HD11 LEU 25 HD11 LEU 25 -6.216 -5.824 -14.518 198 HD12 LEU 25 HD12 LEU 25 -5.525 -4.810 -15.797 199 HD13 LEU 25 HD13 LEU 25 -6.869 -5.930 -16.149 200 HD21 LEU 25 HD21 LEU 25 -7.802 -2.691 -13.558 201 HD22 LEU 25 HD22 LEU 25 -6.089 -3.054 -13.825 202 HD23 LEU 25 HD23 LEU 25 -7.141 -4.233 -12.988 203 H LYS 26 H LYS 26 -8.288 -6.020 -18.201 204 HA LYS 26 HA LYS 26 -11.170 -5.828 -17.224 205 HB2 LYS 26 HB2 LYS 26 -10.098 -6.843 -19.782 206 HB3 LYS 26 HB3 LYS 26 -11.038 -8.039 -18.902 207 HG2 LYS 26 HG2 LYS 26 -12.561 -6.886 -20.300 208 HG3 LYS 26 HG3 LYS 26 -12.864 -6.366 -18.642 209 HD2 LYS 26 HD2 LYS 26 -11.517 -4.278 -19.095 210 HD3 LYS 26 HD3 LYS 26 -11.319 -4.838 -20.757 211 HE2 LYS 26 HE2 LYS 26 -13.127 -3.276 -20.779 212 HE3 LYS 26 HE3 LYS 26 -13.841 -4.884 -20.975 213 HZ1 LYS 26 HZ1 LYS 26 -13.750 -3.350 -18.430 214 HZ2 LYS 26 HZ2 LYS 26 -14.452 -4.817 -18.604 215 HZ3 LYS 26 HZ3 LYS 26 -15.051 -3.533 -19.406 216 H TYR 27 H TYR 27 -12.011 -8.113 -16.633 217 HA TYR 27 HA TYR 27 -10.022 -9.704 -15.226 218 HB2 TYR 27 HB2 TYR 27 -10.969 -9.441 -13.030 219 HB3 TYR 27 HB3 TYR 27 -10.805 -7.847 -13.675 220 HD1 TYR 27 HD1 TYR 27 -12.808 -6.517 -14.339 221 HD2 TYR 27 HD2 TYR 27 -13.126 -10.417 -12.549 222 HE1 TYR 27 HE1 TYR 27 -15.116 -5.995 -13.639 223 HE2 TYR 27 HE2 TYR 27 -15.434 -9.928 -11.849 224 HH TYR 27 HH TYR 27 -16.872 -6.666 -12.300 225 H LYS 28 H LYS 28 -10.877 -11.846 -14.791 226 HA LYS 28 HA LYS 28 -13.501 -12.581 -15.943 227 HB2 LYS 28 HB2 LYS 28 -10.758 -13.565 -16.794 228 HB3 LYS 28 HB3 LYS 28 -12.038 -14.746 -16.603 229 HG2 LYS 28 HG2 LYS 28 -13.293 -12.782 -18.134 230 HG3 LYS 28 HG3 LYS 28 -11.619 -12.775 -18.717 231 HD2 LYS 28 HD2 LYS 28 -13.319 -15.276 -18.480 232 HD3 LYS 28 HD3 LYS 28 -13.103 -14.330 -19.970 233 HE2 LYS 28 HE2 LYS 28 -10.693 -14.655 -19.927 234 HE3 LYS 28 HE3 LYS 28 -10.765 -15.443 -18.349 235 HZ1 LYS 28 HZ1 LYS 28 -10.515 -16.968 -20.186 236 HZ2 LYS 28 HZ2 LYS 28 -12.004 -16.577 -20.763 237 HZ3 LYS 28 HZ3 LYS 28 -11.849 -17.273 -19.271 238 H THR 29 H THR 29 -14.330 -14.512 -14.984 239 HA THR 29 HA THR 29 -12.924 -16.102 -13.102 240 HB THR 29 HB THR 29 -12.865 -14.408 -11.506 241 HG1 THR 29 HG1 THR 29 -15.416 -14.821 -10.709 242 HG21 THR 29 HG21 THR 29 -14.832 -12.819 -11.056 243 HG22 THR 29 HG22 THR 29 -15.506 -13.413 -12.590 244 HG23 THR 29 HG23 THR 29 -13.963 -12.548 -12.559 245 H ASN 30 H ASN 30 -14.349 -17.839 -12.532 246 HA ASN 30 HA ASN 30 -16.694 -18.081 -14.235 247 HB2 ASN 30 HB2 ASN 30 -15.278 -20.032 -13.687 248 HB3 ASN 30 HB3 ASN 30 -15.608 -19.782 -11.976 249 HD21 ASN 30 HD21 ASN 30 -17.528 -20.358 -15.092 250 HD22 ASN 30 HD22 ASN 30 -18.743 -21.257 -14.246 251 H ARG 31 H ARG 31 -16.130 -16.803 -11.086 252 HA ARG 31 HA ARG 31 -19.024 -16.908 -10.362 253 HB2 ARG 31 HB2 ARG 31 -18.431 -16.659 -8.111 254 HB3 ARG 31 HB3 ARG 31 -17.560 -18.022 -8.740 255 HG2 ARG 31 HG2 ARG 31 -16.142 -15.328 -8.598 256 HG3 ARG 31 HG3 ARG 31 -16.497 -16.156 -7.104 257 HD2 ARG 31 HD2 ARG 31 -14.941 -17.406 -9.381 258 HD3 ARG 31 HD3 ARG 31 -14.234 -16.623 -7.944 259 HE ARG 31 HE ARG 31 -16.111 -18.495 -7.030 260 HH11 ARG 31 HH11 ARG 31 -13.048 -18.684 -8.825 261 HH12 ARG 31 HH12 ARG 31 -12.787 -20.348 -8.355 262 HH21 ARG 31 HH21 ARG 31 -15.682 -20.554 -6.346 263 HH22 ARG 31 HH22 ARG 31 -14.295 -21.433 -6.886 264 H ASP 32 H ASP 32 -19.913 -15.042 -9.418 265 HA ASP 32 HA ASP 32 -18.617 -12.503 -10.253 266 HB2 ASP 32 HB2 ASP 32 -20.872 -11.638 -10.692 267 HB3 ASP 32 HB3 ASP 32 -20.447 -12.985 -11.743 268 H SER 33 H SER 33 -19.431 -14.195 -7.541 269 HA SER 33 HA SER 33 -20.092 -11.718 -6.009 270 HB2 SER 33 HB2 SER 33 -19.786 -14.620 -5.230 271 HB3 SER 33 HB3 SER 33 -20.258 -13.300 -4.126 272 HG SER 33 HG SER 33 -22.153 -14.152 -4.748 273 H ILE 34 H ILE 34 -17.781 -11.175 -7.026 274 HA ILE 34 HA ILE 34 -15.523 -12.277 -5.466 275 HB ILE 34 HB ILE 34 -14.119 -10.992 -7.031 276 HG12 ILE 34 HG12 ILE 34 -15.258 -10.102 -9.142 277 HG13 ILE 34 HG13 ILE 34 -16.727 -9.935 -8.183 278 HG21 ILE 34 HG21 ILE 34 -14.538 -12.402 -8.900 279 HG22 ILE 34 HG22 ILE 34 -15.004 -13.308 -7.456 280 HG23 ILE 34 HG23 ILE 34 -16.261 -12.592 -8.487 281 HD11 ILE 34 HD11 ILE 34 -14.041 -8.635 -7.491 282 HD12 ILE 34 HD12 ILE 34 -15.342 -7.852 -8.407 283 HD13 ILE 34 HD13 ILE 34 -15.610 -8.301 -6.725 284 HA PRO 35 HA PRO 35 -15.457 -9.028 -2.533 285 HB2 PRO 35 HB2 PRO 35 -12.876 -8.430 -2.105 286 HB3 PRO 35 HB3 PRO 35 -13.570 -10.001 -1.615 287 HG2 PRO 35 HG2 PRO 35 -12.073 -9.367 -4.144 288 HG3 PRO 35 HG3 PRO 35 -11.739 -10.705 -2.995 289 HD2 PRO 35 HD2 PRO 35 -13.183 -11.103 -5.224 290 HD3 PRO 35 HD3 PRO 35 -13.718 -11.847 -3.693 291 H SER 36 H SER 36 -15.971 -6.935 -2.662 292 HA SER 36 HA SER 36 -15.782 -5.447 -5.062 293 HB2 SER 36 HB2 SER 36 -16.564 -3.607 -3.510 294 HB3 SER 36 HB3 SER 36 -17.523 -5.095 -3.450 295 HG SER 36 HG SER 36 -15.805 -3.963 -1.568 296 H GLU 37 H GLU 37 -13.538 -5.791 -2.514 297 HA GLU 37 HA GLU 37 -12.053 -3.388 -2.852 298 HB2 GLU 37 HB2 GLU 37 -10.407 -4.313 -1.539 299 HB3 GLU 37 HB3 GLU 37 -11.954 -5.015 -0.929 300 HG2 GLU 37 HG2 GLU 37 -11.321 -7.147 -1.562 301 HG3 GLU 37 HG3 GLU 37 -10.140 -6.593 -2.745 302 H LEU 38 H LEU 38 -12.060 -6.378 -4.730 303 HA LEU 38 HA LEU 38 -9.514 -5.898 -6.033 304 HB2 LEU 38 HB2 LEU 38 -11.811 -7.784 -6.338 305 HB3 LEU 38 HB3 LEU 38 -10.945 -7.441 -7.823 306 HG LEU 38 HG LEU 38 -8.876 -8.252 -6.982 307 HD11 LEU 38 HD11 LEU 38 -8.496 -9.126 -4.720 308 HD12 LEU 38 HD12 LEU 38 -10.112 -8.616 -4.196 309 HD13 LEU 38 HD13 LEU 38 -8.907 -7.414 -4.604 310 HD21 LEU 38 HD21 LEU 38 -10.500 -9.928 -7.667 311 HD22 LEU 38 HD22 LEU 38 -11.108 -10.075 -6.015 312 HD23 LEU 38 HD23 LEU 38 -9.449 -10.573 -6.391 313 H LEU 39 H LEU 39 -12.897 -5.103 -6.830 314 HA LEU 39 HA LEU 39 -12.385 -4.009 -9.385 315 HB2 LEU 39 HB2 LEU 39 -14.463 -3.124 -7.334 316 HB3 LEU 39 HB3 LEU 39 -14.532 -2.762 -9.055 317 HG LEU 39 HG LEU 39 -14.572 -5.613 -7.959 318 HD11 LEU 39 HD11 LEU 39 -16.489 -4.302 -7.074 319 HD12 LEU 39 HD12 LEU 39 -16.967 -5.597 -8.163 320 HD13 LEU 39 HD13 LEU 39 -16.971 -3.917 -8.749 321 HD21 LEU 39 HD21 LEU 39 -13.947 -5.382 -10.353 322 HD22 LEU 39 HD22 LEU 39 -15.428 -4.450 -10.657 323 HD23 LEU 39 HD23 LEU 39 -15.520 -6.157 -10.162 324 H GLU 40 H GLU 40 -12.115 -2.664 -6.208 325 HA GLU 40 HA GLU 40 -11.693 0.091 -7.010 326 HB2 GLU 40 HB2 GLU 40 -11.328 -1.313 -4.325 327 HB3 GLU 40 HB3 GLU 40 -11.304 0.447 -4.592 328 HG2 GLU 40 HG2 GLU 40 -13.572 0.293 -5.627 329 HG3 GLU 40 HG3 GLU 40 -13.608 -1.404 -5.325 330 H GLU 41 H GLU 41 -9.457 -2.425 -5.614 331 HA GLU 41 HA GLU 41 -7.183 -0.800 -5.894 332 HB2 GLU 41 HB2 GLU 41 -7.622 -3.194 -4.714 333 HB3 GLU 41 HB3 GLU 41 -6.877 -3.764 -6.197 334 HG2 GLU 41 HG2 GLU 41 -5.125 -3.543 -4.623 335 HG3 GLU 41 HG3 GLU 41 -4.939 -2.174 -5.714 336 H TRP 42 H TRP 42 -8.750 -3.052 -8.175 337 HA TRP 42 HA TRP 42 -6.812 -3.000 -10.229 338 HB2 TRP 42 HB2 TRP 42 -9.832 -3.266 -10.305 339 HB3 TRP 42 HB3 TRP 42 -8.840 -3.476 -11.718 340 HD1 TRP 42 HD1 TRP 42 -6.663 -5.121 -9.582 341 HE1 TRP 42 HE1 TRP 42 -7.163 -7.588 -9.148 342 HE3 TRP 42 HE3 TRP 42 -11.502 -5.214 -11.180 343 HZ2 TRP 42 HZ2 TRP 42 -9.370 -9.390 -9.521 344 HZ3 TRP 42 HZ3 TRP 42 -12.838 -7.309 -11.006 345 HH2 TRP 42 HH2 TRP 42 -11.790 -9.389 -10.210 346 H LYS 43 H LYS 43 -9.475 -0.778 -9.490 347 HA LYS 43 HA LYS 43 -9.102 0.806 -11.937 348 HB2 LYS 43 HB2 LYS 43 -11.289 0.528 -10.680 349 HB3 LYS 43 HB3 LYS 43 -10.569 1.372 -9.305 350 HG2 LYS 43 HG2 LYS 43 -10.150 3.286 -10.908 351 HG3 LYS 43 HG3 LYS 43 -11.214 2.476 -12.068 352 HD2 LYS 43 HD2 LYS 43 -13.037 2.585 -10.402 353 HD3 LYS 43 HD3 LYS 43 -11.949 3.304 -9.212 354 HE2 LYS 43 HE2 LYS 43 -12.726 4.551 -11.883 355 HE3 LYS 43 HE3 LYS 43 -13.339 5.032 -10.289 356 HZ1 LYS 43 HZ1 LYS 43 -11.163 5.752 -9.675 357 HZ2 LYS 43 HZ2 LYS 43 -11.528 6.456 -11.103 358 HZ3 LYS 43 HZ3 LYS 43 -10.478 5.206 -11.065 359 H GLN 44 H GLN 44 -8.043 0.977 -8.569 360 HA GLN 44 HA GLN 44 -6.902 3.615 -8.630 361 HB2 GLN 44 HB2 GLN 44 -6.414 1.153 -6.919 362 HB3 GLN 44 HB3 GLN 44 -5.546 2.658 -6.674 363 HG2 GLN 44 HG2 GLN 44 -7.433 3.850 -5.948 364 HG3 GLN 44 HG3 GLN 44 -8.553 2.705 -6.690 365 HE21 GLN 44 HE21 GLN 44 -5.758 1.999 -4.403 366 HE22 GLN 44 HE22 GLN 44 -6.817 0.903 -3.524 367 H HIS 45 H HIS 45 -5.544 0.364 -9.271 368 HA HIS 45 HA HIS 45 -3.041 1.627 -10.222 369 HB2 HIS 45 HB2 HIS 45 -3.704 -1.182 -9.287 370 HB3 HIS 45 HB3 HIS 45 -2.134 -0.710 -9.910 371 HD1 HIS 45 HD1 HIS 45 -0.728 1.171 -8.433 372 HD2 HIS 45 HD2 HIS 45 -4.232 -0.495 -6.773 373 HE1 HIS 45 HE1 HIS 45 -0.640 1.630 -5.917 374 H LYS 46 H LYS 46 -5.612 1.382 -11.791 375 HA LYS 46 HA LYS 46 -5.501 -0.696 -13.654 376 HB2 LYS 46 HB2 LYS 46 -6.920 0.657 -15.140 377 HB3 LYS 46 HB3 LYS 46 -7.490 0.608 -13.497 378 HG2 LYS 46 HG2 LYS 46 -7.817 2.806 -13.742 379 HG3 LYS 46 HG3 LYS 46 -6.122 2.922 -13.322 380 HD2 LYS 46 HD2 LYS 46 -6.284 4.280 -15.211 381 HD3 LYS 46 HD3 LYS 46 -5.675 2.762 -15.868 382 HE2 LYS 46 HE2 LYS 46 -7.969 2.145 -16.586 383 HE3 LYS 46 HE3 LYS 46 -8.581 3.663 -15.894 384 HZ1 LYS 46 HZ1 LYS 46 -6.591 3.528 -18.102 385 HZ2 LYS 46 HZ2 LYS 46 -7.252 4.866 -17.522 386 HZ3 LYS 46 HZ3 LYS 46 -8.200 3.824 -18.342 387 H GLN 47 H GLN 47 -3.719 2.379 -13.734 388 HA GLN 47 HA GLN 47 -2.884 2.138 -16.389 389 HB2 GLN 47 HB2 GLN 47 -2.999 4.169 -14.898 390 HB3 GLN 47 HB3 GLN 47 -1.579 3.587 -14.028 391 HG2 GLN 47 HG2 GLN 47 -1.090 5.329 -15.703 392 HG3 GLN 47 HG3 GLN 47 -0.230 3.838 -16.053 393 HE21 GLN 47 HE21 GLN 47 -0.766 2.731 -17.907 394 HE22 GLN 47 HE22 GLN 47 -1.965 3.191 -19.119 395 H GLU 48 H GLU 48 -1.168 1.330 -13.303 396 HA GLU 48 HA GLU 48 1.060 0.199 -14.796 397 HB2 GLU 48 HB2 GLU 48 1.813 -0.689 -12.622 398 HB3 GLU 48 HB3 GLU 48 1.612 1.048 -12.661 399 HG2 GLU 48 HG2 GLU 48 -0.707 -0.582 -11.640 400 HG3 GLU 48 HG3 GLU 48 0.735 -0.485 -10.636 401 H LEU 49 H LEU 49 -1.946 -1.128 -13.462 402 HA LEU 49 HA LEU 49 -1.235 -3.880 -13.707 403 HB2 LEU 49 HB2 LEU 49 -3.848 -2.370 -13.694 404 HB3 LEU 49 HB3 LEU 49 -3.850 -4.080 -14.069 405 HG LEU 49 HG LEU 49 -2.501 -3.058 -11.547 406 HD11 LEU 49 HD11 LEU 49 -4.929 -2.396 -11.603 407 HD12 LEU 49 HD12 LEU 49 -4.559 -3.563 -10.335 408 HD13 LEU 49 HD13 LEU 49 -5.335 -4.124 -11.797 409 HD21 LEU 49 HD21 LEU 49 -2.881 -5.409 -10.831 410 HD22 LEU 49 HD22 LEU 49 -1.929 -5.375 -12.309 411 HD23 LEU 49 HD23 LEU 49 -3.646 -5.776 -12.385 412 H ILE 50 H ILE 50 -2.647 -1.606 -16.046 413 HA ILE 50 HA ILE 50 -3.055 -3.549 -18.093 414 HB ILE 50 HB ILE 50 -2.739 -0.517 -18.125 415 HG12 ILE 50 HG12 ILE 50 -5.142 -2.269 -18.823 416 HG13 ILE 50 HG13 ILE 50 -4.807 -1.767 -17.188 417 HG21 ILE 50 HG21 ILE 50 -3.454 -0.479 -20.478 418 HG22 ILE 50 HG22 ILE 50 -1.960 -1.402 -20.357 419 HG23 ILE 50 HG23 ILE 50 -3.509 -2.243 -20.514 420 HD11 ILE 50 HD11 ILE 50 -4.956 0.617 -17.884 421 HD12 ILE 50 HD12 ILE 50 -5.348 0.077 -19.520 422 HD13 ILE 50 HD13 ILE 50 -6.452 -0.292 -18.190 423 H ASP 51 H ASP 51 -0.321 -1.291 -17.436 424 HA ASP 51 HA ASP 51 1.348 -2.010 -19.564 425 HB2 ASP 51 HB2 ASP 51 1.726 -0.187 -17.993 426 HB3 ASP 51 HB3 ASP 51 2.086 -1.303 -16.694 427 H PHE 52 H PHE 52 1.168 -3.493 -16.341 428 HA PHE 52 HA PHE 52 3.250 -5.439 -16.817 429 HB2 PHE 52 HB2 PHE 52 2.662 -4.647 -14.619 430 HB3 PHE 52 HB3 PHE 52 0.985 -5.134 -14.833 431 HD1 PHE 52 HD1 PHE 52 4.347 -6.231 -13.887 432 HD2 PHE 52 HD2 PHE 52 0.410 -7.596 -14.888 433 HE1 PHE 52 HE1 PHE 52 4.848 -8.430 -12.849 434 HE2 PHE 52 HE2 PHE 52 0.856 -9.766 -13.688 435 HZ PHE 52 HZ PHE 52 3.102 -10.184 -12.739 436 H LEU 53 H LEU 53 -0.331 -5.521 -16.987 437 HA LEU 53 HA LEU 53 -0.360 -8.336 -17.548 438 HB2 LEU 53 HB2 LEU 53 -2.400 -6.154 -17.618 439 HB3 LEU 53 HB3 LEU 53 -2.815 -7.772 -18.153 440 HG LEU 53 HG LEU 53 -1.636 -7.262 -15.380 441 HD11 LEU 53 HD11 LEU 53 -4.542 -7.468 -16.186 442 HD12 LEU 53 HD12 LEU 53 -3.675 -5.985 -15.713 443 HD13 LEU 53 HD13 LEU 53 -3.870 -7.278 -14.531 444 HD21 LEU 53 HD21 LEU 53 -3.054 -9.615 -16.712 445 HD22 LEU 53 HD22 LEU 53 -2.822 -9.498 -14.963 446 HD23 LEU 53 HD23 LEU 53 -1.424 -9.577 -16.026 447 H THR 54 H THR 54 -0.064 -5.531 -19.544 448 HA THR 54 HA THR 54 -0.758 -7.125 -21.908 449 HB THR 54 HB THR 54 -1.509 -4.732 -21.375 450 HG1 THR 54 HG1 THR 54 -0.409 -5.209 -23.927 451 HG21 THR 54 HG21 THR 54 -0.212 -2.868 -21.957 452 HG22 THR 54 HG22 THR 54 1.107 -3.890 -22.616 453 HG23 THR 54 HG23 THR 54 0.766 -3.861 -20.879 454 H GLN 55 H GLN 55 2.149 -5.777 -20.284 455 HA GLN 55 HA GLN 55 3.777 -6.427 -22.578 456 HB2 GLN 55 HB2 GLN 55 5.603 -5.836 -21.249 457 HB3 GLN 55 HB3 GLN 55 4.272 -4.805 -20.736 458 HG2 GLN 55 HG2 GLN 55 4.988 -5.420 -18.645 459 HG3 GLN 55 HG3 GLN 55 3.936 -6.779 -18.936 460 HE21 GLN 55 HE21 GLN 55 4.949 -8.878 -18.864 461 HE22 GLN 55 HE22 GLN 55 6.634 -9.158 -19.159 462 H LEU 56 H LEU 56 2.502 -8.231 -19.825 463 HA LEU 56 HA LEU 56 4.177 -10.542 -20.306 464 HB2 LEU 56 HB2 LEU 56 3.379 -11.389 -18.414 465 HB3 LEU 56 HB3 LEU 56 2.983 -9.710 -18.149 466 HG LEU 56 HG LEU 56 0.594 -10.240 -18.873 467 HD11 LEU 56 HD11 LEU 56 0.740 -12.381 -19.976 468 HD12 LEU 56 HD12 LEU 56 0.025 -12.726 -18.408 469 HD13 LEU 56 HD13 LEU 56 1.756 -13.029 -18.697 470 HD21 LEU 56 HD21 LEU 56 1.788 -11.615 -16.428 471 HD22 LEU 56 HD22 LEU 56 0.073 -11.205 -16.645 472 HD23 LEU 56 HD23 LEU 56 1.283 -9.916 -16.533 473 H GLU 57 H GLU 57 0.974 -9.411 -21.352 474 HA GLU 57 HA GLU 57 0.050 -11.814 -22.558 475 HB2 GLU 57 HB2 GLU 57 -1.295 -9.702 -22.154 476 HB3 GLU 57 HB3 GLU 57 -0.469 -8.999 -23.551 477 HG2 GLU 57 HG2 GLU 57 -2.371 -9.799 -24.516 478 HG3 GLU 57 HG3 GLU 57 -1.336 -11.182 -24.806 479 H SER 58 H SER 58 2.274 -9.261 -23.623 480 HA SER 58 HA SER 58 2.596 -10.155 -26.354 481 HB2 SER 58 HB2 SER 58 4.260 -8.376 -24.542 482 HB3 SER 58 HB3 SER 58 4.542 -8.590 -26.273 483 HG SER 58 HG SER 58 3.282 -6.715 -25.532 484 H GLU 59 H GLU 59 3.973 -11.105 -23.250 485 HA GLU 59 HA GLU 59 6.315 -12.424 -24.437 486 HB2 GLU 59 HB2 GLU 59 5.985 -11.181 -22.030 487 HB3 GLU 59 HB3 GLU 59 5.474 -12.791 -21.555 488 HG2 GLU 59 HG2 GLU 59 7.836 -12.581 -21.100 489 HG3 GLU 59 HG3 GLU 59 7.681 -13.688 -22.456 490 H GLU 60 H GLU 60 6.586 -14.740 -23.294 491 HA GLU 60 HA GLU 60 4.342 -16.399 -22.933 492 HB2 GLU 60 HB2 GLU 60 4.346 -17.824 -24.821 493 HB3 GLU 60 HB3 GLU 60 3.942 -16.189 -25.318 494 HG2 GLU 60 HG2 GLU 60 6.336 -15.848 -25.949 495 HG3 GLU 60 HG3 GLU 60 6.634 -17.553 -25.570 496 H GLU 61 H GLU 61 7.776 -15.973 -23.621 497 HA GLU 61 HA GLU 61 8.498 -18.638 -22.741 498 HB2 GLU 61 HB2 GLU 61 9.707 -17.301 -24.480 499 HB3 GLU 61 HB3 GLU 61 10.190 -16.151 -23.237 500 HG2 GLU 61 HG2 GLU 61 11.994 -17.728 -23.759 501 HG3 GLU 61 HG3 GLU 61 11.476 -17.891 -22.090 502 H SER 62 H SER 62 8.161 -15.433 -21.287 503 HA SER 62 HA SER 62 8.628 -16.544 -18.596 504 HB2 SER 62 HB2 SER 62 9.947 -14.081 -19.807 505 HB3 SER 62 HB3 SER 62 9.793 -14.323 -18.059 506 HG SER 62 HG SER 62 11.747 -15.236 -19.474 Start of MODEL 19 1 H1 MET 1 H MET 1 3.697 -0.625 -0.596 2 HA MET 1 HA MET 1 1.182 0.549 -1.598 3 HB2 MET 1 HB2 MET 1 2.380 1.580 -3.402 4 HB3 MET 1 HB3 MET 1 3.106 2.099 -1.885 5 HG2 MET 1 HG2 MET 1 4.940 0.438 -2.214 6 HG3 MET 1 HG3 MET 1 4.211 -0.038 -3.751 7 HE1 MET 1 HE1 MET 1 6.364 0.190 -5.095 8 HE2 MET 1 HE2 MET 1 7.465 1.579 -4.936 9 HE3 MET 1 HE3 MET 1 7.147 0.526 -3.537 10 H LYS 2 H LYS 2 0.076 -0.803 -3.095 11 HA LYS 2 HA LYS 2 1.451 -3.384 -3.599 12 HB2 LYS 2 HB2 LYS 2 -1.412 -2.668 -4.117 13 HB3 LYS 2 HB3 LYS 2 -0.626 -4.204 -4.470 14 HG2 LYS 2 HG2 LYS 2 -1.350 -4.847 -2.432 15 HG3 LYS 2 HG3 LYS 2 0.089 -4.021 -1.862 16 HD2 LYS 2 HD2 LYS 2 -1.736 -3.310 -0.478 17 HD3 LYS 2 HD3 LYS 2 -1.363 -1.951 -1.546 18 HE2 LYS 2 HE2 LYS 2 -3.641 -2.030 -1.796 19 HE3 LYS 2 HE3 LYS 2 -3.165 -3.058 -3.133 20 HZ1 LYS 2 HZ1 LYS 2 -3.425 -4.891 -1.233 21 HZ2 LYS 2 HZ2 LYS 2 -4.636 -4.435 -2.198 22 HZ3 LYS 2 HZ3 LYS 2 -4.537 -3.787 -0.696 23 H ASN 3 H ASN 3 2.153 -4.017 -5.556 24 HA ASN 3 HA ASN 3 2.071 -2.075 -7.791 25 HB2 ASN 3 HB2 ASN 3 3.975 -3.096 -8.621 26 HB3 ASN 3 HB3 ASN 3 4.279 -3.095 -6.896 27 HD21 ASN 3 HD21 ASN 3 3.916 -5.208 -5.733 28 HD22 ASN 3 HD22 ASN 3 3.780 -6.703 -6.684 29 H ALA 4 H ALA 4 1.942 -3.205 -10.027 30 HA ALA 4 HA ALA 4 -0.614 -4.285 -10.321 31 HB1 ALA 4 HB1 ALA 4 1.865 -4.529 -12.098 32 HB2 ALA 4 HB2 ALA 4 0.235 -4.973 -12.614 33 HB3 ALA 4 HB3 ALA 4 0.592 -3.288 -12.190 34 H ALA 5 H ALA 5 2.469 -6.167 -10.362 35 HA ALA 5 HA ALA 5 1.338 -8.692 -10.794 36 HB1 ALA 5 HB1 ALA 5 3.406 -9.622 -9.961 37 HB2 ALA 5 HB2 ALA 5 3.809 -8.130 -10.837 38 HB3 ALA 5 HB3 ALA 5 3.784 -8.157 -9.054 39 H LYS 6 H LYS 6 1.518 -6.786 -7.836 40 HA LYS 6 HA LYS 6 1.096 -8.871 -5.907 41 HB2 LYS 6 HB2 LYS 6 1.388 -6.019 -5.987 42 HB3 LYS 6 HB3 LYS 6 -0.065 -6.334 -5.094 43 HG2 LYS 6 HG2 LYS 6 2.366 -7.955 -4.369 44 HG3 LYS 6 HG3 LYS 6 2.446 -6.213 -4.098 45 HD2 LYS 6 HD2 LYS 6 1.691 -7.275 -2.089 46 HD3 LYS 6 HD3 LYS 6 0.458 -6.221 -2.774 47 HE2 LYS 6 HE2 LYS 6 -0.621 -8.284 -3.786 48 HE3 LYS 6 HE3 LYS 6 0.528 -9.257 -2.835 49 HZ1 LYS 6 HZ1 LYS 6 -1.593 -8.893 -1.655 50 HZ2 LYS 6 HZ2 LYS 6 -1.443 -7.310 -1.770 51 HZ3 LYS 6 HZ3 LYS 6 -0.382 -8.136 -0.834 52 H ILE 7 H ILE 7 -1.133 -6.594 -7.494 53 HA ILE 7 HA ILE 7 -3.494 -7.732 -6.319 54 HB ILE 7 HB ILE 7 -3.387 -6.125 -8.871 55 HG12 ILE 7 HG12 ILE 7 -3.984 -4.394 -6.677 56 HG13 ILE 7 HG13 ILE 7 -2.496 -5.211 -6.230 57 HG21 ILE 7 HG21 ILE 7 -5.513 -6.339 -6.720 58 HG22 ILE 7 HG22 ILE 7 -5.537 -5.189 -8.072 59 HG23 ILE 7 HG23 ILE 7 -5.592 -6.950 -8.387 60 HD11 ILE 7 HD11 ILE 7 -1.935 -3.223 -7.391 61 HD12 ILE 7 HD12 ILE 7 -1.715 -4.551 -8.584 62 HD13 ILE 7 HD13 ILE 7 -3.157 -3.514 -8.639 63 H VAL 8 H VAL 8 -1.739 -8.352 -9.362 64 HA VAL 8 HA VAL 8 -3.681 -10.044 -10.597 65 HB VAL 8 HB VAL 8 -0.654 -9.892 -10.751 66 HG11 VAL 8 HG11 VAL 8 -2.495 -11.344 -12.666 67 HG12 VAL 8 HG12 VAL 8 -0.735 -11.192 -12.814 68 HG13 VAL 8 HG13 VAL 8 -1.437 -12.157 -11.499 69 HG21 VAL 8 HG21 VAL 8 -0.965 -8.649 -12.780 70 HG22 VAL 8 HG22 VAL 8 -2.695 -9.019 -12.829 71 HG23 VAL 8 HG23 VAL 8 -2.066 -7.915 -11.607 72 H ASN 9 H ASN 9 -0.931 -10.902 -8.485 73 HA ASN 9 HA ASN 9 -1.481 -13.676 -8.401 74 HB2 ASN 9 HB2 ASN 9 0.368 -13.669 -7.221 75 HB3 ASN 9 HB3 ASN 9 0.373 -11.912 -7.288 76 HD21 ASN 9 HD21 ASN 9 -0.449 -10.747 -5.356 77 HD22 ASN 9 HD22 ASN 9 -0.199 -11.556 -3.812 78 H GLU 10 H GLU 10 -2.891 -11.023 -6.482 79 HA GLU 10 HA GLU 10 -4.266 -12.796 -4.664 80 HB2 GLU 10 HB2 GLU 10 -4.517 -9.850 -5.402 81 HB3 GLU 10 HB3 GLU 10 -5.711 -10.651 -4.362 82 HG2 GLU 10 HG2 GLU 10 -3.924 -11.430 -2.866 83 HG3 GLU 10 HG3 GLU 10 -2.712 -10.615 -3.864 84 H ALA 11 H ALA 11 -5.082 -11.269 -7.831 85 HA ALA 11 HA ALA 11 -7.833 -11.942 -7.733 86 HB1 ALA 11 HB1 ALA 11 -7.746 -11.635 -10.173 87 HB2 ALA 11 HB2 ALA 11 -6.858 -10.357 -9.328 88 HB3 ALA 11 HB3 ALA 11 -5.981 -11.674 -10.145 89 H LEU 12 H LEU 12 -5.043 -13.719 -9.140 90 HA LEU 12 HA LEU 12 -6.462 -16.030 -9.935 91 HB2 LEU 12 HB2 LEU 12 -3.698 -16.032 -8.705 92 HB3 LEU 12 HB3 LEU 12 -4.355 -17.233 -9.807 93 HG LEU 12 HG LEU 12 -3.473 -14.380 -10.475 94 HD11 LEU 12 HD11 LEU 12 -1.747 -16.139 -10.185 95 HD12 LEU 12 HD12 LEU 12 -1.820 -15.511 -11.848 96 HD13 LEU 12 HD13 LEU 12 -2.530 -17.100 -11.458 97 HD21 LEU 12 HD21 LEU 12 -5.448 -14.833 -11.838 98 HD22 LEU 12 HD22 LEU 12 -4.858 -16.450 -12.235 99 HD23 LEU 12 HD23 LEU 12 -4.007 -15.037 -12.866 100 H ASN 13 H ASN 13 -4.984 -15.329 -6.791 101 HA ASN 13 HA ASN 13 -5.661 -17.841 -5.604 102 HB2 ASN 13 HB2 ASN 13 -4.961 -15.164 -4.359 103 HB3 ASN 13 HB3 ASN 13 -5.333 -16.606 -3.403 104 HD21 ASN 13 HD21 ASN 13 -2.665 -15.213 -3.535 105 HD22 ASN 13 HD22 ASN 13 -1.606 -16.481 -4.112 106 H GLN 14 H GLN 14 -7.630 -14.926 -6.026 107 HA GLN 14 HA GLN 14 -9.723 -16.079 -4.284 108 HB2 GLN 14 HB2 GLN 14 -9.276 -13.383 -5.515 109 HB3 GLN 14 HB3 GLN 14 -10.923 -13.906 -5.154 110 HG2 GLN 14 HG2 GLN 14 -10.214 -12.767 -3.221 111 HG3 GLN 14 HG3 GLN 14 -10.221 -14.470 -2.803 112 HE21 GLN 14 HE21 GLN 14 -8.147 -11.703 -3.654 113 HE22 GLN 14 HE22 GLN 14 -6.727 -12.292 -2.856 114 H GLY 15 H GLY 15 -8.708 -16.794 -7.313 115 HA2 GLY 15 HA2 GLY 15 -9.714 -18.225 -8.826 116 HA3 GLY 15 HA3 GLY 15 -11.287 -17.994 -8.035 117 H ILE 16 H ILE 16 -8.948 -15.574 -9.334 118 HA ILE 16 HA ILE 16 -10.916 -14.834 -11.412 119 HB ILE 16 HB ILE 16 -9.476 -13.006 -9.439 120 HG12 ILE 16 HG12 ILE 16 -12.448 -12.897 -9.771 121 HG13 ILE 16 HG13 ILE 16 -11.842 -14.304 -8.932 122 HG21 ILE 16 HG21 ILE 16 -10.573 -11.100 -10.359 123 HG22 ILE 16 HG22 ILE 16 -9.523 -11.821 -11.571 124 HG23 ILE 16 HG23 ILE 16 -11.281 -12.073 -11.647 125 HD11 ILE 16 HD11 ILE 16 -11.682 -11.471 -8.085 126 HD12 ILE 16 HD12 ILE 16 -12.248 -12.891 -7.203 127 HD13 ILE 16 HD13 ILE 16 -10.510 -12.668 -7.442 128 H THR 17 H THR 17 -9.853 -13.480 -13.141 129 HA THR 17 HA THR 17 -6.985 -14.114 -13.530 130 HB THR 17 HB THR 17 -9.250 -14.775 -15.467 131 HG1 THR 17 HG1 THR 17 -8.479 -16.843 -15.246 132 HG21 THR 17 HG21 THR 17 -7.385 -15.433 -17.025 133 HG22 THR 17 HG22 THR 17 -6.232 -14.647 -15.894 134 HG23 THR 17 HG23 THR 17 -7.465 -13.692 -16.726 135 H LEU 18 H LEU 18 -6.188 -12.032 -13.584 136 HA LEU 18 HA LEU 18 -7.854 -9.878 -14.722 137 HB2 LEU 18 HB2 LEU 18 -5.071 -9.990 -13.502 138 HB3 LEU 18 HB3 LEU 18 -5.733 -8.582 -14.396 139 HG LEU 18 HG LEU 18 -7.023 -9.823 -11.960 140 HD11 LEU 18 HD11 LEU 18 -5.503 -7.190 -11.896 141 HD12 LEU 18 HD12 LEU 18 -4.654 -8.702 -11.691 142 HD13 LEU 18 HD13 LEU 18 -5.937 -8.288 -10.551 143 HD21 LEU 18 HD21 LEU 18 -7.991 -7.923 -13.807 144 HD22 LEU 18 HD22 LEU 18 -7.611 -7.014 -12.344 145 HD23 LEU 18 HD23 LEU 18 -8.704 -8.419 -12.288 146 H PHE 19 H PHE 19 -7.547 -9.064 -16.782 147 HA PHE 19 HA PHE 19 -5.190 -9.661 -18.352 148 HB2 PHE 19 HB2 PHE 19 -6.182 -10.821 -20.072 149 HB3 PHE 19 HB3 PHE 19 -6.681 -11.740 -18.646 150 HD1 PHE 19 HD1 PHE 19 -7.748 -9.778 -21.541 151 HD2 PHE 19 HD2 PHE 19 -9.108 -11.395 -17.781 152 HE1 PHE 19 HE1 PHE 19 -10.087 -9.589 -22.310 153 HE2 PHE 19 HE2 PHE 19 -11.468 -11.074 -18.518 154 HZ PHE 19 HZ PHE 19 -11.954 -10.241 -20.802 155 H VAL 20 H VAL 20 -5.091 -7.961 -19.926 156 HA VAL 20 HA VAL 20 -7.236 -5.841 -19.704 157 HB VAL 20 HB VAL 20 -4.628 -6.121 -20.860 158 HG11 VAL 20 HG11 VAL 20 -4.348 -3.894 -21.527 159 HG12 VAL 20 HG12 VAL 20 -5.919 -4.343 -22.136 160 HG13 VAL 20 HG13 VAL 20 -5.796 -3.384 -20.634 161 HG21 VAL 20 HG21 VAL 20 -3.457 -4.969 -19.348 162 HG22 VAL 20 HG22 VAL 20 -4.945 -4.339 -18.599 163 HG23 VAL 20 HG23 VAL 20 -4.504 -6.049 -18.436 164 H SER 21 H SER 21 -8.357 -5.187 -21.462 165 HA SER 21 HA SER 21 -8.026 -6.614 -24.023 166 HB2 SER 21 HB2 SER 21 -10.002 -7.400 -22.311 167 HB3 SER 21 HB3 SER 21 -10.782 -5.999 -23.028 168 HG SER 21 HG SER 21 -11.151 -7.936 -24.263 169 H ASP 22 H ASP 22 -8.110 -5.103 -25.641 170 HA ASP 22 HA ASP 22 -7.955 -3.053 -26.626 171 HB2 ASP 22 HB2 ASP 22 -10.530 -2.402 -25.160 172 HB3 ASP 22 HB3 ASP 22 -10.013 -1.838 -26.742 173 H ASN 23 H ASN 23 -6.298 -3.016 -24.410 174 HA ASN 23 HA ASN 23 -5.105 -1.527 -23.142 175 HB2 ASN 23 HB2 ASN 23 -5.800 -0.129 -25.396 176 HB3 ASN 23 HB3 ASN 23 -6.607 0.864 -24.213 177 HD21 ASN 23 HD21 ASN 23 -3.568 -0.806 -24.840 178 HD22 ASN 23 HD22 ASN 23 -2.506 0.460 -24.216 179 H LYS 24 H LYS 24 -7.637 -2.593 -22.108 180 HA LYS 24 HA LYS 24 -8.007 -0.614 -19.962 181 HB2 LYS 24 HB2 LYS 24 -9.820 -0.215 -21.543 182 HB3 LYS 24 HB3 LYS 24 -10.191 -1.933 -21.623 183 HG2 LYS 24 HG2 LYS 24 -11.797 -0.814 -20.192 184 HG3 LYS 24 HG3 LYS 24 -10.906 -2.023 -19.305 185 HD2 LYS 24 HD2 LYS 24 -9.776 -0.493 -17.979 186 HD3 LYS 24 HD3 LYS 24 -9.834 0.799 -19.188 187 HE2 LYS 24 HE2 LYS 24 -12.271 -0.228 -17.675 188 HE3 LYS 24 HE3 LYS 24 -11.296 1.157 -17.159 189 HZ1 LYS 24 HZ1 LYS 24 -12.683 0.961 -19.770 190 HZ2 LYS 24 HZ2 LYS 24 -11.792 2.222 -19.285 191 HZ3 LYS 24 HZ3 LYS 24 -13.219 1.822 -18.506 192 H LEU 25 H LEU 25 -7.624 -1.597 -18.167 193 HA LEU 25 HA LEU 25 -6.872 -4.265 -17.726 194 HB2 LEU 25 HB2 LEU 25 -6.310 -2.646 -16.140 195 HB3 LEU 25 HB3 LEU 25 -7.943 -2.007 -16.033 196 HG LEU 25 HG LEU 25 -8.749 -3.853 -14.786 197 HD11 LEU 25 HD11 LEU 25 -7.839 -5.836 -14.338 198 HD12 LEU 25 HD12 LEU 25 -6.163 -5.289 -14.385 199 HD13 LEU 25 HD13 LEU 25 -7.029 -5.666 -15.886 200 HD21 LEU 25 HD21 LEU 25 -6.042 -2.883 -13.898 201 HD22 LEU 25 HD22 LEU 25 -7.201 -3.710 -12.850 202 HD23 LEU 25 HD23 LEU 25 -7.629 -2.146 -13.591 203 H LYS 26 H LYS 26 -8.038 -6.031 -18.013 204 HA LYS 26 HA LYS 26 -10.975 -5.845 -17.208 205 HB2 LYS 26 HB2 LYS 26 -9.887 -6.675 -19.770 206 HB3 LYS 26 HB3 LYS 26 -10.534 -8.088 -18.958 207 HG2 LYS 26 HG2 LYS 26 -12.297 -7.247 -20.238 208 HG3 LYS 26 HG3 LYS 26 -12.689 -6.782 -18.577 209 HD2 LYS 26 HD2 LYS 26 -11.772 -4.514 -19.012 210 HD3 LYS 26 HD3 LYS 26 -11.359 -4.984 -20.662 211 HE2 LYS 26 HE2 LYS 26 -14.197 -5.124 -19.551 212 HE3 LYS 26 HE3 LYS 26 -13.540 -3.655 -20.281 213 HZ1 LYS 26 HZ1 LYS 26 -14.772 -4.947 -21.878 214 HZ2 LYS 26 HZ2 LYS 26 -13.744 -6.235 -21.718 215 HZ3 LYS 26 HZ3 LYS 26 -13.196 -4.809 -22.302 216 H TYR 27 H TYR 27 -11.847 -8.110 -16.619 217 HA TYR 27 HA TYR 27 -9.873 -9.805 -15.263 218 HB2 TYR 27 HB2 TYR 27 -10.685 -9.509 -13.046 219 HB3 TYR 27 HB3 TYR 27 -10.733 -7.914 -13.705 220 HD1 TYR 27 HD1 TYR 27 -12.882 -6.834 -14.267 221 HD2 TYR 27 HD2 TYR 27 -12.710 -10.777 -12.544 222 HE1 TYR 27 HE1 TYR 27 -15.135 -6.563 -13.453 223 HE2 TYR 27 HE2 TYR 27 -15.008 -10.529 -11.719 224 HH TYR 27 HH TYR 27 -16.826 -9.158 -11.557 225 H LYS 28 H LYS 28 -10.759 -11.890 -14.880 226 HA LYS 28 HA LYS 28 -13.337 -12.695 -16.113 227 HB2 LYS 28 HB2 LYS 28 -10.549 -13.487 -16.890 228 HB3 LYS 28 HB3 LYS 28 -11.518 -14.856 -16.387 229 HG2 LYS 28 HG2 LYS 28 -13.238 -13.477 -18.091 230 HG3 LYS 28 HG3 LYS 28 -11.652 -13.276 -18.846 231 HD2 LYS 28 HD2 LYS 28 -12.726 -15.982 -17.980 232 HD3 LYS 28 HD3 LYS 28 -13.115 -15.291 -19.539 233 HE2 LYS 28 HE2 LYS 28 -10.273 -15.832 -18.566 234 HE3 LYS 28 HE3 LYS 28 -11.223 -16.920 -19.577 235 HZ1 LYS 28 HZ1 LYS 28 -10.183 -14.262 -20.264 236 HZ2 LYS 28 HZ2 LYS 28 -11.365 -14.988 -21.186 237 HZ3 LYS 28 HZ3 LYS 28 -9.859 -15.655 -20.995 238 H THR 29 H THR 29 -14.131 -14.737 -15.058 239 HA THR 29 HA THR 29 -12.884 -16.091 -12.988 240 HB THR 29 HB THR 29 -12.875 -14.080 -11.623 241 HG1 THR 29 HG1 THR 29 -13.358 -15.775 -10.426 242 HG21 THR 29 HG21 THR 29 -15.796 -13.744 -12.371 243 HG22 THR 29 HG22 THR 29 -14.455 -12.647 -12.726 244 HG23 THR 29 HG23 THR 29 -14.993 -12.883 -11.060 245 H ASN 30 H ASN 30 -14.294 -17.729 -12.232 246 HA ASN 30 HA ASN 30 -16.665 -18.178 -13.867 247 HB2 ASN 30 HB2 ASN 30 -16.494 -20.389 -13.109 248 HB3 ASN 30 HB3 ASN 30 -14.823 -19.856 -13.234 249 HD21 ASN 30 HD21 ASN 30 -17.187 -21.179 -11.142 250 HD22 ASN 30 HD22 ASN 30 -16.334 -21.022 -9.631 251 H ARG 31 H ARG 31 -16.173 -16.490 -10.929 252 HA ARG 31 HA ARG 31 -18.968 -16.998 -10.069 253 HB2 ARG 31 HB2 ARG 31 -18.336 -16.779 -7.791 254 HB3 ARG 31 HB3 ARG 31 -17.405 -18.079 -8.508 255 HG2 ARG 31 HG2 ARG 31 -15.991 -15.455 -8.544 256 HG3 ARG 31 HG3 ARG 31 -16.433 -15.981 -6.927 257 HD2 ARG 31 HD2 ARG 31 -14.943 -17.725 -8.912 258 HD3 ARG 31 HD3 ARG 31 -14.147 -16.676 -7.730 259 HE ARG 31 HE ARG 31 -15.618 -17.992 -6.018 260 HH11 ARG 31 HH11 ARG 31 -14.051 -19.543 -8.864 261 HH12 ARG 31 HH12 ARG 31 -13.615 -20.958 -7.964 262 HH21 ARG 31 HH21 ARG 31 -15.138 -19.948 -4.950 263 HH22 ARG 31 HH22 ARG 31 -14.464 -21.286 -5.808 264 H ASP 32 H ASP 32 -19.951 -15.219 -9.036 265 HA ASP 32 HA ASP 32 -18.940 -12.597 -10.037 266 HB2 ASP 32 HB2 ASP 32 -21.221 -11.822 -10.022 267 HB3 ASP 32 HB3 ASP 32 -21.045 -13.263 -11.028 268 H SER 33 H SER 33 -19.374 -14.380 -7.163 269 HA SER 33 HA SER 33 -19.849 -12.055 -5.469 270 HB2 SER 33 HB2 SER 33 -20.601 -14.524 -5.128 271 HB3 SER 33 HB3 SER 33 -19.002 -14.751 -4.403 272 HG SER 33 HG SER 33 -19.600 -13.479 -2.753 273 H ILE 34 H ILE 34 -17.636 -11.533 -7.015 274 HA ILE 34 HA ILE 34 -15.187 -12.161 -5.548 275 HB ILE 34 HB ILE 34 -14.024 -10.846 -7.204 276 HG12 ILE 34 HG12 ILE 34 -15.437 -10.042 -9.248 277 HG13 ILE 34 HG13 ILE 34 -16.739 -9.842 -8.083 278 HG21 ILE 34 HG21 ILE 34 -16.124 -12.547 -8.596 279 HG22 ILE 34 HG22 ILE 34 -14.460 -12.200 -9.094 280 HG23 ILE 34 HG23 ILE 34 -14.749 -13.194 -7.667 281 HD11 ILE 34 HD11 ILE 34 -15.392 -8.203 -6.835 282 HD12 ILE 34 HD12 ILE 34 -13.957 -8.570 -7.814 283 HD13 ILE 34 HD13 ILE 34 -15.366 -7.789 -8.549 284 HA PRO 35 HA PRO 35 -15.502 -8.824 -2.730 285 HB2 PRO 35 HB2 PRO 35 -12.949 -8.139 -2.215 286 HB3 PRO 35 HB3 PRO 35 -13.614 -9.726 -1.759 287 HG2 PRO 35 HG2 PRO 35 -12.003 -9.072 -4.215 288 HG3 PRO 35 HG3 PRO 35 -11.697 -10.383 -3.026 289 HD2 PRO 35 HD2 PRO 35 -13.062 -10.849 -5.316 290 HD3 PRO 35 HD3 PRO 35 -13.583 -11.606 -3.784 291 H SER 36 H SER 36 -15.967 -6.676 -2.882 292 HA SER 36 HA SER 36 -15.661 -5.246 -5.287 293 HB2 SER 36 HB2 SER 36 -15.973 -3.940 -2.573 294 HB3 SER 36 HB3 SER 36 -16.667 -3.439 -4.120 295 HG SER 36 HG SER 36 -18.066 -5.285 -3.997 296 H GLU 37 H GLU 37 -13.435 -5.669 -2.594 297 HA GLU 37 HA GLU 37 -11.880 -3.319 -2.884 298 HB2 GLU 37 HB2 GLU 37 -10.292 -4.362 -1.511 299 HB3 GLU 37 HB3 GLU 37 -11.861 -5.013 -0.996 300 HG2 GLU 37 HG2 GLU 37 -11.216 -7.008 -2.591 301 HG3 GLU 37 HG3 GLU 37 -9.592 -6.350 -2.483 302 H LEU 38 H LEU 38 -12.035 -6.239 -4.838 303 HA LEU 38 HA LEU 38 -9.473 -5.790 -6.164 304 HB2 LEU 38 HB2 LEU 38 -11.714 -7.743 -6.368 305 HB3 LEU 38 HB3 LEU 38 -10.914 -7.392 -7.886 306 HG LEU 38 HG LEU 38 -8.783 -8.109 -7.098 307 HD11 LEU 38 HD11 LEU 38 -9.904 -8.501 -4.277 308 HD12 LEU 38 HD12 LEU 38 -8.722 -7.287 -4.739 309 HD13 LEU 38 HD13 LEU 38 -8.302 -8.994 -4.862 310 HD21 LEU 38 HD21 LEU 38 -9.265 -10.448 -6.472 311 HD22 LEU 38 HD22 LEU 38 -10.400 -9.841 -7.697 312 HD23 LEU 38 HD23 LEU 38 -10.918 -9.979 -6.002 313 H LEU 39 H LEU 39 -12.923 -5.134 -6.953 314 HA LEU 39 HA LEU 39 -12.431 -3.936 -9.461 315 HB2 LEU 39 HB2 LEU 39 -14.629 -3.507 -7.407 316 HB3 LEU 39 HB3 LEU 39 -14.655 -2.720 -8.979 317 HG LEU 39 HG LEU 39 -14.390 -5.736 -8.758 318 HD11 LEU 39 HD11 LEU 39 -16.990 -4.149 -8.872 319 HD12 LEU 39 HD12 LEU 39 -16.414 -5.148 -7.512 320 HD13 LEU 39 HD13 LEU 39 -16.840 -5.907 -9.044 321 HD21 LEU 39 HD21 LEU 39 -15.365 -5.716 -11.005 322 HD22 LEU 39 HD22 LEU 39 -13.923 -4.697 -10.975 323 HD23 LEU 39 HD23 LEU 39 -15.532 -3.949 -10.955 324 H GLU 40 H GLU 40 -12.344 -2.559 -6.204 325 HA GLU 40 HA GLU 40 -12.029 0.176 -7.067 326 HB2 GLU 40 HB2 GLU 40 -11.431 -1.190 -4.399 327 HB3 GLU 40 HB3 GLU 40 -11.299 0.543 -4.712 328 HG2 GLU 40 HG2 GLU 40 -13.801 0.205 -5.644 329 HG3 GLU 40 HG3 GLU 40 -13.763 -1.195 -4.604 330 H GLU 41 H GLU 41 -9.603 -2.213 -5.740 331 HA GLU 41 HA GLU 41 -7.444 -0.421 -6.119 332 HB2 GLU 41 HB2 GLU 41 -7.737 -2.792 -4.914 333 HB3 GLU 41 HB3 GLU 41 -6.823 -3.364 -6.318 334 HG2 GLU 41 HG2 GLU 41 -6.011 -0.946 -4.605 335 HG3 GLU 41 HG3 GLU 41 -5.650 -2.612 -4.084 336 H TRP 42 H TRP 42 -8.842 -2.921 -8.265 337 HA TRP 42 HA TRP 42 -6.983 -2.759 -10.311 338 HB2 TRP 42 HB2 TRP 42 -10.015 -3.096 -10.437 339 HB3 TRP 42 HB3 TRP 42 -9.006 -3.268 -11.846 340 HD1 TRP 42 HD1 TRP 42 -6.794 -4.850 -9.737 341 HE1 TRP 42 HE1 TRP 42 -7.207 -7.309 -9.266 342 HE3 TRP 42 HE3 TRP 42 -11.643 -5.090 -11.256 343 HZ2 TRP 42 HZ2 TRP 42 -9.393 -9.218 -9.617 344 HZ3 TRP 42 HZ3 TRP 42 -12.928 -7.204 -11.033 345 HH2 TRP 42 HH2 TRP 42 -11.822 -9.265 -10.251 346 H LYS 43 H LYS 43 -9.847 -0.638 -9.803 347 HA LYS 43 HA LYS 43 -9.246 1.019 -12.139 348 HB2 LYS 43 HB2 LYS 43 -11.516 0.774 -11.252 349 HB3 LYS 43 HB3 LYS 43 -11.032 1.336 -9.669 350 HG2 LYS 43 HG2 LYS 43 -10.471 3.338 -11.784 351 HG3 LYS 43 HG3 LYS 43 -12.160 2.856 -11.743 352 HD2 LYS 43 HD2 LYS 43 -12.285 3.324 -9.320 353 HD3 LYS 43 HD3 LYS 43 -10.598 3.841 -9.306 354 HE2 LYS 43 HE2 LYS 43 -12.773 5.107 -11.040 355 HE3 LYS 43 HE3 LYS 43 -12.338 5.693 -9.425 356 HZ1 LYS 43 HZ1 LYS 43 -11.202 6.869 -11.256 357 HZ2 LYS 43 HZ2 LYS 43 -10.385 5.515 -11.651 358 HZ3 LYS 43 HZ3 LYS 43 -10.177 6.192 -10.162 359 H GLN 44 H GLN 44 -8.179 1.113 -8.718 360 HA GLN 44 HA GLN 44 -7.160 3.818 -8.931 361 HB2 GLN 44 HB2 GLN 44 -6.696 1.518 -7.017 362 HB3 GLN 44 HB3 GLN 44 -5.809 3.039 -6.888 363 HG2 GLN 44 HG2 GLN 44 -7.896 4.297 -6.688 364 HG3 GLN 44 HG3 GLN 44 -8.827 2.785 -6.761 365 HE21 GLN 44 HE21 GLN 44 -9.448 2.189 -4.670 366 HE22 GLN 44 HE22 GLN 44 -8.430 2.369 -3.262 367 H HIS 45 H HIS 45 -5.606 0.520 -9.182 368 HA HIS 45 HA HIS 45 -3.118 1.774 -10.115 369 HB2 HIS 45 HB2 HIS 45 -3.849 -0.985 -9.090 370 HB3 HIS 45 HB3 HIS 45 -2.260 -0.553 -9.660 371 HD1 HIS 45 HD1 HIS 45 -0.778 -0.391 -7.451 372 HD2 HIS 45 HD2 HIS 45 -4.661 1.013 -7.048 373 HE1 HIS 45 HE1 HIS 45 -0.863 0.717 -5.242 374 H LYS 46 H LYS 46 -5.637 1.478 -11.776 375 HA LYS 46 HA LYS 46 -5.433 -0.613 -13.600 376 HB2 LYS 46 HB2 LYS 46 -6.792 0.741 -15.157 377 HB3 LYS 46 HB3 LYS 46 -7.445 0.645 -13.556 378 HG2 LYS 46 HG2 LYS 46 -7.802 2.823 -13.797 379 HG3 LYS 46 HG3 LYS 46 -6.139 2.993 -13.245 380 HD2 LYS 46 HD2 LYS 46 -5.399 3.118 -15.580 381 HD3 LYS 46 HD3 LYS 46 -7.063 2.899 -16.149 382 HE2 LYS 46 HE2 LYS 46 -7.775 4.960 -15.131 383 HE3 LYS 46 HE3 LYS 46 -6.239 5.165 -14.278 384 HZ1 LYS 46 HZ1 LYS 46 -5.162 5.622 -16.337 385 HZ2 LYS 46 HZ2 LYS 46 -6.513 6.533 -16.329 386 HZ3 LYS 46 HZ3 LYS 46 -6.446 5.146 -17.224 387 H GLN 47 H GLN 47 -3.648 2.440 -13.670 388 HA GLN 47 HA GLN 47 -2.781 2.094 -16.372 389 HB2 GLN 47 HB2 GLN 47 -2.735 4.275 -15.214 390 HB3 GLN 47 HB3 GLN 47 -1.564 3.645 -14.057 391 HG2 GLN 47 HG2 GLN 47 -0.460 5.016 -15.833 392 HG3 GLN 47 HG3 GLN 47 0.102 3.351 -15.906 393 HE21 GLN 47 HE21 GLN 47 -0.583 2.001 -17.724 394 HE22 GLN 47 HE22 GLN 47 -1.507 2.669 -19.068 395 H GLU 48 H GLU 48 -1.187 1.411 -13.224 396 HA GLU 48 HA GLU 48 1.129 0.271 -14.521 397 HB2 GLU 48 HB2 GLU 48 1.625 -0.567 -12.165 398 HB3 GLU 48 HB3 GLU 48 1.653 1.159 -12.469 399 HG2 GLU 48 HG2 GLU 48 -0.773 -0.183 -11.266 400 HG3 GLU 48 HG3 GLU 48 0.591 0.304 -10.289 401 H LEU 49 H LEU 49 -1.955 -1.054 -13.243 402 HA LEU 49 HA LEU 49 -1.233 -3.776 -13.576 403 HB2 LEU 49 HB2 LEU 49 -3.827 -2.229 -13.511 404 HB3 LEU 49 HB3 LEU 49 -3.880 -3.928 -13.903 405 HG LEU 49 HG LEU 49 -2.500 -2.997 -11.376 406 HD11 LEU 49 HD11 LEU 49 -5.366 -3.976 -11.702 407 HD12 LEU 49 HD12 LEU 49 -4.911 -2.274 -11.425 408 HD13 LEU 49 HD13 LEU 49 -4.587 -3.495 -10.197 409 HD21 LEU 49 HD21 LEU 49 -2.836 -5.341 -10.748 410 HD22 LEU 49 HD22 LEU 49 -2.012 -5.318 -12.295 411 HD23 LEU 49 HD23 LEU 49 -3.739 -5.668 -12.238 412 H ILE 50 H ILE 50 -2.445 -1.402 -15.963 413 HA ILE 50 HA ILE 50 -2.910 -3.448 -17.971 414 HB ILE 50 HB ILE 50 -2.714 -0.410 -18.236 415 HG12 ILE 50 HG12 ILE 50 -5.091 -2.239 -18.712 416 HG13 ILE 50 HG13 ILE 50 -4.701 -1.662 -17.105 417 HG21 ILE 50 HG21 ILE 50 -1.955 -1.247 -20.359 418 HG22 ILE 50 HG22 ILE 50 -3.210 -2.488 -20.382 419 HG23 ILE 50 HG23 ILE 50 -3.642 -0.781 -20.574 420 HD11 ILE 50 HD11 ILE 50 -4.852 0.695 -17.973 421 HD12 ILE 50 HD12 ILE 50 -5.428 -0.009 -19.523 422 HD13 ILE 50 HD13 ILE 50 -6.369 -0.231 -18.045 423 H ASP 51 H ASP 51 -0.252 -1.111 -17.282 424 HA ASP 51 HA ASP 51 1.364 -1.784 -19.449 425 HB2 ASP 51 HB2 ASP 51 1.581 0.074 -17.695 426 HB3 ASP 51 HB3 ASP 51 2.402 -1.108 -16.678 427 H PHE 52 H PHE 52 1.171 -3.343 -16.262 428 HA PHE 52 HA PHE 52 3.306 -5.259 -16.783 429 HB2 PHE 52 HB2 PHE 52 2.756 -4.439 -14.557 430 HB3 PHE 52 HB3 PHE 52 1.088 -4.982 -14.736 431 HD1 PHE 52 HD1 PHE 52 4.628 -6.171 -14.623 432 HD2 PHE 52 HD2 PHE 52 0.500 -7.278 -14.309 433 HE1 PHE 52 HE1 PHE 52 5.302 -8.376 -13.659 434 HE2 PHE 52 HE2 PHE 52 1.164 -9.523 -13.403 435 HZ PHE 52 HZ PHE 52 3.557 -10.050 -13.071 436 H LEU 53 H LEU 53 -0.260 -5.308 -17.131 437 HA LEU 53 HA LEU 53 -0.187 -8.206 -17.568 438 HB2 LEU 53 HB2 LEU 53 -2.322 -6.132 -17.480 439 HB3 LEU 53 HB3 LEU 53 -2.678 -7.655 -18.277 440 HG LEU 53 HG LEU 53 -1.402 -7.720 -15.520 441 HD11 LEU 53 HD11 LEU 53 -3.229 -6.297 -15.140 442 HD12 LEU 53 HD12 LEU 53 -3.693 -7.882 -14.575 443 HD13 LEU 53 HD13 LEU 53 -4.339 -7.295 -16.145 444 HD21 LEU 53 HD21 LEU 53 -3.312 -9.585 -16.996 445 HD22 LEU 53 HD22 LEU 53 -2.601 -9.882 -15.394 446 HD23 LEU 53 HD23 LEU 53 -1.567 -9.823 -16.824 447 H THR 54 H THR 54 -0.263 -5.303 -19.559 448 HA THR 54 HA THR 54 -0.766 -6.829 -21.956 449 HB THR 54 HB THR 54 -1.364 -4.409 -21.440 450 HG1 THR 54 HG1 THR 54 -1.170 -5.539 -23.686 451 HG21 THR 54 HG21 THR 54 0.924 -3.666 -20.777 452 HG22 THR 54 HG22 THR 54 0.067 -2.618 -21.902 453 HG23 THR 54 HG23 THR 54 1.370 -3.695 -22.490 454 H GLN 55 H GLN 55 2.173 -5.622 -20.256 455 HA GLN 55 HA GLN 55 3.878 -6.293 -22.456 456 HB2 GLN 55 HB2 GLN 55 5.675 -5.910 -20.960 457 HB3 GLN 55 HB3 GLN 55 4.358 -4.836 -20.492 458 HG2 GLN 55 HG2 GLN 55 4.851 -5.560 -18.409 459 HG3 GLN 55 HG3 GLN 55 3.811 -6.886 -18.836 460 HE21 GLN 55 HE21 GLN 55 4.955 -8.993 -19.505 461 HE22 GLN 55 HE22 GLN 55 6.549 -9.263 -18.899 462 H LEU 56 H LEU 56 2.218 -8.285 -20.170 463 HA LEU 56 HA LEU 56 4.070 -10.524 -20.552 464 HB2 LEU 56 HB2 LEU 56 3.350 -11.386 -18.654 465 HB3 LEU 56 HB3 LEU 56 2.816 -9.750 -18.346 466 HG LEU 56 HG LEU 56 0.475 -10.444 -19.024 467 HD11 LEU 56 HD11 LEU 56 0.578 -12.448 -20.275 468 HD12 LEU 56 HD12 LEU 56 0.101 -13.020 -18.703 469 HD13 LEU 56 HD13 LEU 56 1.816 -13.150 -19.245 470 HD21 LEU 56 HD21 LEU 56 0.080 -11.589 -16.869 471 HD22 LEU 56 HD22 LEU 56 1.210 -10.241 -16.697 472 HD23 LEU 56 HD23 LEU 56 1.823 -11.908 -16.718 473 H GLU 57 H GLU 57 0.845 -9.377 -21.463 474 HA GLU 57 HA GLU 57 -0.210 -11.687 -22.697 475 HB2 GLU 57 HB2 GLU 57 -1.340 -9.461 -22.098 476 HB3 GLU 57 HB3 GLU 57 -0.642 -8.830 -23.580 477 HG2 GLU 57 HG2 GLU 57 -2.759 -9.477 -24.235 478 HG3 GLU 57 HG3 GLU 57 -1.827 -10.880 -24.718 479 H SER 58 H SER 58 2.099 -9.226 -23.821 480 HA SER 58 HA SER 58 2.248 -9.867 -26.534 481 HB2 SER 58 HB2 SER 58 4.419 -8.850 -24.662 482 HB3 SER 58 HB3 SER 58 4.400 -8.658 -26.422 483 HG SER 58 HG SER 58 3.683 -6.788 -25.400 484 H GLU 59 H GLU 59 3.617 -11.648 -23.815 485 HA GLU 59 HA GLU 59 5.796 -12.772 -25.392 486 HB2 GLU 59 HB2 GLU 59 5.551 -12.462 -22.740 487 HB3 GLU 59 HB3 GLU 59 4.803 -14.054 -22.851 488 HG2 GLU 59 HG2 GLU 59 7.046 -14.572 -22.495 489 HG3 GLU 59 HG3 GLU 59 6.928 -14.715 -24.253 490 H GLU 60 H GLU 60 5.310 -14.115 -27.018 491 HA GLU 60 HA GLU 60 2.962 -15.945 -26.712 492 HB2 GLU 60 HB2 GLU 60 4.278 -14.955 -29.255 493 HB3 GLU 60 HB3 GLU 60 2.992 -16.177 -29.137 494 HG2 GLU 60 HG2 GLU 60 1.736 -14.367 -27.678 495 HG3 GLU 60 HG3 GLU 60 2.859 -13.232 -28.429 496 H GLU 61 H GLU 61 6.192 -16.172 -28.335 497 HA GLU 61 HA GLU 61 6.216 -19.057 -27.822 498 HB2 GLU 61 HB2 GLU 61 8.361 -17.223 -28.988 499 HB3 GLU 61 HB3 GLU 61 8.468 -18.972 -28.829 500 HG2 GLU 61 HG2 GLU 61 7.827 -18.599 -31.065 501 HG3 GLU 61 HG3 GLU 61 6.387 -19.191 -30.238 502 H SER 62 H SER 62 6.247 -19.388 -25.660 503 HA SER 62 HA SER 62 8.167 -17.996 -23.907 504 HB2 SER 62 HB2 SER 62 5.614 -18.904 -23.493 505 HB3 SER 62 HB3 SER 62 6.528 -20.294 -22.931 506 HG SER 62 HG SER 62 6.100 -18.771 -21.275 Start of MODEL 20 1 H1 MET 1 H MET 1 2.349 -1.541 0.519 2 HA MET 1 HA MET 1 3.212 0.276 -1.646 3 HB2 MET 1 HB2 MET 1 4.977 -1.301 0.254 4 HB3 MET 1 HB3 MET 1 5.530 -0.572 -1.260 5 HG2 MET 1 HG2 MET 1 4.393 0.847 1.169 6 HG3 MET 1 HG3 MET 1 5.999 1.006 0.492 7 HE1 MET 1 HE1 MET 1 5.739 3.748 0.588 8 HE2 MET 1 HE2 MET 1 4.272 4.548 0.003 9 HE3 MET 1 HE3 MET 1 4.171 3.409 1.364 10 H LYS 2 H LYS 2 1.472 -0.992 -2.662 11 HA LYS 2 HA LYS 2 2.339 -3.713 -3.488 12 HB2 LYS 2 HB2 LYS 2 0.057 -4.067 -4.166 13 HB3 LYS 2 HB3 LYS 2 0.139 -3.505 -2.506 14 HG2 LYS 2 HG2 LYS 2 -0.263 -1.106 -3.760 15 HG3 LYS 2 HG3 LYS 2 -1.011 -2.189 -4.944 16 HD2 LYS 2 HD2 LYS 2 -1.675 -1.956 -1.977 17 HD3 LYS 2 HD3 LYS 2 -2.649 -1.364 -3.325 18 HE2 LYS 2 HE2 LYS 2 -3.065 -3.625 -4.119 19 HE3 LYS 2 HE3 LYS 2 -1.918 -4.309 -2.959 20 HZ1 LYS 2 HZ1 LYS 2 -4.393 -2.932 -2.207 21 HZ2 LYS 2 HZ2 LYS 2 -3.384 -3.717 -1.182 22 HZ3 LYS 2 HZ3 LYS 2 -4.255 -4.560 -2.332 23 H ASN 3 H ASN 3 1.368 -4.036 -5.945 24 HA ASN 3 HA ASN 3 1.984 -1.910 -7.765 25 HB2 ASN 3 HB2 ASN 3 3.824 -2.994 -8.860 26 HB3 ASN 3 HB3 ASN 3 4.283 -2.919 -7.166 27 HD21 ASN 3 HD21 ASN 3 3.955 -5.005 -5.865 28 HD22 ASN 3 HD22 ASN 3 3.841 -6.522 -6.760 29 H ALA 4 H ALA 4 1.769 -2.962 -10.067 30 HA ALA 4 HA ALA 4 -0.707 -4.023 -10.491 31 HB1 ALA 4 HB1 ALA 4 1.812 -4.468 -12.138 32 HB2 ALA 4 HB2 ALA 4 0.178 -4.796 -12.703 33 HB3 ALA 4 HB3 ALA 4 0.643 -3.136 -12.319 34 H ALA 5 H ALA 5 2.286 -6.047 -10.257 35 HA ALA 5 HA ALA 5 0.981 -8.522 -10.743 36 HB1 ALA 5 HB1 ALA 5 3.493 -8.140 -10.730 37 HB2 ALA 5 HB2 ALA 5 3.389 -8.103 -8.940 38 HB3 ALA 5 HB3 ALA 5 2.933 -9.570 -9.813 39 H LYS 6 H LYS 6 1.372 -6.607 -7.780 40 HA LYS 6 HA LYS 6 0.755 -8.727 -5.976 41 HB2 LYS 6 HB2 LYS 6 1.302 -5.904 -5.848 42 HB3 LYS 6 HB3 LYS 6 -0.162 -6.178 -4.935 43 HG2 LYS 6 HG2 LYS 6 2.615 -7.278 -4.494 44 HG3 LYS 6 HG3 LYS 6 1.652 -6.275 -3.413 45 HD2 LYS 6 HD2 LYS 6 1.362 -9.233 -3.997 46 HD3 LYS 6 HD3 LYS 6 1.804 -8.488 -2.486 47 HE2 LYS 6 HE2 LYS 6 -0.916 -8.082 -3.798 48 HE3 LYS 6 HE3 LYS 6 -0.568 -9.453 -2.757 49 HZ1 LYS 6 HZ1 LYS 6 -0.457 -6.642 -1.838 50 HZ2 LYS 6 HZ2 LYS 6 -0.211 -7.999 -0.915 51 HZ3 LYS 6 HZ3 LYS 6 -1.652 -7.723 -1.598 52 H ILE 7 H ILE 7 -1.366 -6.236 -7.505 53 HA ILE 7 HA ILE 7 -3.699 -7.392 -6.282 54 HB ILE 7 HB ILE 7 -4.042 -5.853 -8.842 55 HG12 ILE 7 HG12 ILE 7 -4.143 -3.811 -7.006 56 HG13 ILE 7 HG13 ILE 7 -2.810 -4.755 -6.332 57 HG21 ILE 7 HG21 ILE 7 -5.976 -6.811 -7.631 58 HG22 ILE 7 HG22 ILE 7 -5.508 -5.922 -6.176 59 HG23 ILE 7 HG23 ILE 7 -6.008 -5.035 -7.614 60 HD11 ILE 7 HD11 ILE 7 -1.776 -4.738 -8.632 61 HD12 ILE 7 HD12 ILE 7 -3.036 -3.614 -9.132 62 HD13 ILE 7 HD13 ILE 7 -1.880 -3.145 -7.852 63 H VAL 8 H VAL 8 -1.998 -8.038 -9.327 64 HA VAL 8 HA VAL 8 -4.002 -9.731 -10.504 65 HB VAL 8 HB VAL 8 -0.965 -9.773 -10.745 66 HG11 VAL 8 HG11 VAL 8 -3.065 -11.372 -12.252 67 HG12 VAL 8 HG12 VAL 8 -1.412 -11.120 -12.856 68 HG13 VAL 8 HG13 VAL 8 -1.677 -11.995 -11.341 69 HG21 VAL 8 HG21 VAL 8 -2.256 -7.766 -11.698 70 HG22 VAL 8 HG22 VAL 8 -1.230 -8.652 -12.834 71 HG23 VAL 8 HG23 VAL 8 -2.980 -8.897 -12.844 72 H ASN 9 H ASN 9 -1.171 -10.587 -8.458 73 HA ASN 9 HA ASN 9 -1.809 -13.284 -8.189 74 HB2 ASN 9 HB2 ASN 9 0.067 -13.297 -7.092 75 HB3 ASN 9 HB3 ASN 9 0.134 -11.541 -7.159 76 HD21 ASN 9 HD21 ASN 9 -1.025 -10.409 -5.237 77 HD22 ASN 9 HD22 ASN 9 -0.980 -11.256 -3.684 78 H GLU 10 H GLU 10 -3.115 -10.553 -6.339 79 HA GLU 10 HA GLU 10 -4.453 -12.234 -4.391 80 HB2 GLU 10 HB2 GLU 10 -4.726 -9.331 -5.225 81 HB3 GLU 10 HB3 GLU 10 -6.020 -10.080 -4.278 82 HG2 GLU 10 HG2 GLU 10 -4.481 -10.689 -2.495 83 HG3 GLU 10 HG3 GLU 10 -3.109 -10.122 -3.447 84 H ALA 11 H ALA 11 -5.389 -10.844 -7.576 85 HA ALA 11 HA ALA 11 -8.088 -11.729 -7.503 86 HB1 ALA 11 HB1 ALA 11 -6.300 -11.353 -9.951 87 HB2 ALA 11 HB2 ALA 11 -8.056 -11.345 -9.913 88 HB3 ALA 11 HB3 ALA 11 -7.164 -10.046 -9.107 89 H LEU 12 H LEU 12 -5.134 -13.247 -8.836 90 HA LEU 12 HA LEU 12 -6.330 -15.615 -9.761 91 HB2 LEU 12 HB2 LEU 12 -3.565 -15.330 -8.555 92 HB3 LEU 12 HB3 LEU 12 -4.094 -16.658 -9.583 93 HG LEU 12 HG LEU 12 -3.782 -13.758 -10.435 94 HD11 LEU 12 HD11 LEU 12 -1.652 -14.932 -10.019 95 HD12 LEU 12 HD12 LEU 12 -1.888 -14.496 -11.717 96 HD13 LEU 12 HD13 LEU 12 -2.134 -16.180 -11.189 97 HD21 LEU 12 HD21 LEU 12 -5.573 -14.916 -11.720 98 HD22 LEU 12 HD22 LEU 12 -4.436 -16.197 -12.138 99 HD23 LEU 12 HD23 LEU 12 -4.178 -14.536 -12.724 100 H ASN 13 H ASN 13 -5.195 -14.838 -6.455 101 HA ASN 13 HA ASN 13 -5.483 -17.526 -5.428 102 HB2 ASN 13 HB2 ASN 13 -5.419 -14.820 -4.065 103 HB3 ASN 13 HB3 ASN 13 -5.849 -16.275 -3.185 104 HD21 ASN 13 HD21 ASN 13 -3.195 -14.585 -4.720 105 HD22 ASN 13 HD22 ASN 13 -1.934 -15.708 -4.317 106 H GLN 14 H GLN 14 -7.744 -14.753 -5.704 107 HA GLN 14 HA GLN 14 -9.964 -16.292 -4.634 108 HB2 GLN 14 HB2 GLN 14 -9.646 -13.506 -5.721 109 HB3 GLN 14 HB3 GLN 14 -11.255 -14.228 -5.586 110 HG2 GLN 14 HG2 GLN 14 -10.952 -13.064 -3.580 111 HG3 GLN 14 HG3 GLN 14 -10.796 -14.769 -3.178 112 HE21 GLN 14 HE21 GLN 14 -9.040 -11.778 -3.711 113 HE22 GLN 14 HE22 GLN 14 -7.586 -12.223 -2.824 114 H GLY 15 H GLY 15 -8.346 -16.836 -7.390 115 HA2 GLY 15 HA2 GLY 15 -8.805 -18.074 -9.217 116 HA3 GLY 15 HA3 GLY 15 -10.489 -18.231 -8.642 117 H ILE 16 H ILE 16 -8.804 -15.161 -9.362 118 HA ILE 16 HA ILE 16 -10.628 -14.807 -11.693 119 HB ILE 16 HB ILE 16 -9.655 -12.928 -9.552 120 HG12 ILE 16 HG12 ILE 16 -12.594 -13.208 -10.115 121 HG13 ILE 16 HG13 ILE 16 -11.844 -14.613 -9.382 122 HG21 ILE 16 HG21 ILE 16 -11.287 -12.229 -12.001 123 HG22 ILE 16 HG22 ILE 16 -11.057 -11.198 -10.577 124 HG23 ILE 16 HG23 ILE 16 -9.654 -11.634 -11.569 125 HD11 ILE 16 HD11 ILE 16 -10.875 -13.020 -7.636 126 HD12 ILE 16 HD12 ILE 16 -12.043 -11.830 -8.282 127 HD13 ILE 16 HD13 ILE 16 -12.613 -13.354 -7.583 128 H THR 17 H THR 17 -9.642 -14.312 -13.599 129 HA THR 17 HA THR 17 -6.718 -13.955 -13.684 130 HB THR 17 HB THR 17 -8.926 -14.493 -15.741 131 HG1 THR 17 HG1 THR 17 -6.728 -16.117 -14.978 132 HG21 THR 17 HG21 THR 17 -7.116 -14.863 -17.391 133 HG22 THR 17 HG22 THR 17 -5.948 -14.179 -16.225 134 HG23 THR 17 HG23 THR 17 -7.257 -13.180 -16.878 135 H LEU 18 H LEU 18 -5.903 -11.916 -13.929 136 HA LEU 18 HA LEU 18 -7.761 -9.713 -14.748 137 HB2 LEU 18 HB2 LEU 18 -5.058 -9.781 -13.346 138 HB3 LEU 18 HB3 LEU 18 -5.655 -8.340 -14.197 139 HG LEU 18 HG LEU 18 -7.161 -9.659 -11.944 140 HD11 LEU 18 HD11 LEU 18 -6.088 -8.344 -10.457 141 HD12 LEU 18 HD12 LEU 18 -6.031 -6.931 -11.543 142 HD13 LEU 18 HD13 LEU 18 -4.817 -8.187 -11.672 143 HD21 LEU 18 HD21 LEU 18 -8.692 -8.461 -13.318 144 HD22 LEU 18 HD22 LEU 18 -7.532 -7.151 -13.652 145 HD23 LEU 18 HD23 LEU 18 -8.277 -7.283 -12.086 146 H PHE 19 H PHE 19 -7.584 -9.008 -16.830 147 HA PHE 19 HA PHE 19 -5.083 -9.480 -18.318 148 HB2 PHE 19 HB2 PHE 19 -6.028 -10.782 -19.992 149 HB3 PHE 19 HB3 PHE 19 -6.726 -11.508 -18.553 150 HD1 PHE 19 HD1 PHE 19 -7.313 -9.606 -21.607 151 HD2 PHE 19 HD2 PHE 19 -9.201 -11.110 -18.038 152 HE1 PHE 19 HE1 PHE 19 -9.513 -9.086 -22.572 153 HE2 PHE 19 HE2 PHE 19 -11.407 -10.429 -18.948 154 HZ PHE 19 HZ PHE 19 -11.570 -9.457 -21.236 155 H VAL 20 H VAL 20 -5.110 -8.035 -20.337 156 HA VAL 20 HA VAL 20 -6.996 -5.809 -19.946 157 HB VAL 20 HB VAL 20 -5.331 -4.509 -20.052 158 HG11 VAL 20 HG11 VAL 20 -4.034 -6.053 -18.944 159 HG12 VAL 20 HG12 VAL 20 -3.391 -6.716 -20.489 160 HG13 VAL 20 HG13 VAL 20 -3.034 -5.049 -20.008 161 HG21 VAL 20 HG21 VAL 20 -4.528 -5.573 -22.738 162 HG22 VAL 20 HG22 VAL 20 -5.652 -4.222 -22.387 163 HG23 VAL 20 HG23 VAL 20 -3.944 -4.085 -21.973 164 H SER 21 H SER 21 -8.211 -5.048 -21.540 165 HA SER 21 HA SER 21 -8.412 -6.530 -24.115 166 HB2 SER 21 HB2 SER 21 -10.124 -6.874 -21.998 167 HB3 SER 21 HB3 SER 21 -10.826 -5.440 -22.749 168 HG SER 21 HG SER 21 -11.655 -7.523 -23.431 169 H ASP 22 H ASP 22 -7.962 -4.989 -25.659 170 HA ASP 22 HA ASP 22 -7.732 -3.048 -26.758 171 HB2 ASP 22 HB2 ASP 22 -10.298 -2.127 -25.394 172 HB3 ASP 22 HB3 ASP 22 -9.623 -1.556 -26.911 173 H ASN 23 H ASN 23 -6.118 -3.105 -24.605 174 HA ASN 23 HA ASN 23 -4.766 -1.776 -23.352 175 HB2 ASN 23 HB2 ASN 23 -5.234 -0.294 -25.590 176 HB3 ASN 23 HB3 ASN 23 -5.850 0.822 -24.376 177 HD21 ASN 23 HD21 ASN 23 -3.087 -0.921 -25.592 178 HD22 ASN 23 HD22 ASN 23 -1.870 -0.215 -24.573 179 H LYS 24 H LYS 24 -7.297 -2.630 -22.316 180 HA LYS 24 HA LYS 24 -7.557 -0.642 -20.161 181 HB2 LYS 24 HB2 LYS 24 -9.407 -0.507 -22.011 182 HB3 LYS 24 HB3 LYS 24 -9.960 -2.054 -21.406 183 HG2 LYS 24 HG2 LYS 24 -11.228 -0.203 -20.432 184 HG3 LYS 24 HG3 LYS 24 -10.379 -1.106 -19.186 185 HD2 LYS 24 HD2 LYS 24 -10.307 1.381 -18.874 186 HD3 LYS 24 HD3 LYS 24 -8.720 0.663 -18.956 187 HE2 LYS 24 HE2 LYS 24 -8.719 2.692 -20.279 188 HE3 LYS 24 HE3 LYS 24 -8.516 1.323 -21.359 189 HZ1 LYS 24 HZ1 LYS 24 -10.865 1.512 -21.960 190 HZ2 LYS 24 HZ2 LYS 24 -10.080 2.913 -22.213 191 HZ3 LYS 24 HZ3 LYS 24 -11.058 2.757 -20.886 192 H LEU 25 H LEU 25 -7.317 -1.568 -18.250 193 HA LEU 25 HA LEU 25 -6.839 -4.302 -17.807 194 HB2 LEU 25 HB2 LEU 25 -6.046 -2.465 -16.376 195 HB3 LEU 25 HB3 LEU 25 -7.668 -2.052 -15.898 196 HG LEU 25 HG LEU 25 -6.149 -3.292 -14.308 197 HD11 LEU 25 HD11 LEU 25 -7.903 -4.614 -13.276 198 HD12 LEU 25 HD12 LEU 25 -8.942 -4.388 -14.690 199 HD13 LEU 25 HD13 LEU 25 -8.413 -2.983 -13.722 200 HD21 LEU 25 HD21 LEU 25 -5.892 -5.642 -14.410 201 HD22 LEU 25 HD22 LEU 25 -5.421 -5.008 -15.993 202 HD23 LEU 25 HD23 LEU 25 -6.993 -5.803 -15.784 203 H LYS 26 H LYS 26 -8.212 -5.952 -17.723 204 HA LYS 26 HA LYS 26 -11.062 -5.591 -16.975 205 HB2 LYS 26 HB2 LYS 26 -9.845 -6.686 -19.484 206 HB3 LYS 26 HB3 LYS 26 -10.900 -7.822 -18.682 207 HG2 LYS 26 HG2 LYS 26 -12.230 -6.637 -20.228 208 HG3 LYS 26 HG3 LYS 26 -12.697 -6.153 -18.578 209 HD2 LYS 26 HD2 LYS 26 -11.561 -4.013 -18.836 210 HD3 LYS 26 HD3 LYS 26 -10.647 -4.619 -20.226 211 HE2 LYS 26 HE2 LYS 26 -12.246 -3.028 -20.988 212 HE3 LYS 26 HE3 LYS 26 -12.638 -4.631 -21.612 213 HZ1 LYS 26 HZ1 LYS 26 -14.538 -3.366 -20.825 214 HZ2 LYS 26 HZ2 LYS 26 -13.961 -3.366 -19.288 215 HZ3 LYS 26 HZ3 LYS 26 -14.430 -4.781 -20.029 216 H TYR 27 H TYR 27 -11.945 -7.985 -16.508 217 HA TYR 27 HA TYR 27 -9.936 -9.607 -15.188 218 HB2 TYR 27 HB2 TYR 27 -10.970 -9.483 -13.006 219 HB3 TYR 27 HB3 TYR 27 -10.829 -7.852 -13.567 220 HD1 TYR 27 HD1 TYR 27 -12.676 -6.443 -13.966 221 HD2 TYR 27 HD2 TYR 27 -13.223 -10.627 -13.185 222 HE1 TYR 27 HE1 TYR 27 -15.112 -6.053 -13.765 223 HE2 TYR 27 HE2 TYR 27 -15.711 -10.273 -13.022 224 HH TYR 27 HH TYR 27 -17.414 -8.707 -13.092 225 H LYS 28 H LYS 28 -10.794 -11.746 -14.780 226 HA LYS 28 HA LYS 28 -13.265 -12.515 -16.225 227 HB2 LYS 28 HB2 LYS 28 -10.449 -12.974 -17.086 228 HB3 LYS 28 HB3 LYS 28 -11.355 -14.461 -16.955 229 HG2 LYS 28 HG2 LYS 28 -12.701 -12.133 -18.333 230 HG3 LYS 28 HG3 LYS 28 -11.370 -12.920 -19.165 231 HD2 LYS 28 HD2 LYS 28 -13.768 -14.437 -18.070 232 HD3 LYS 28 HD3 LYS 28 -13.666 -13.799 -19.724 233 HE2 LYS 28 HE2 LYS 28 -11.508 -15.048 -20.043 234 HE3 LYS 28 HE3 LYS 28 -11.726 -15.780 -18.461 235 HZ1 LYS 28 HZ1 LYS 28 -12.562 -17.214 -20.200 236 HZ2 LYS 28 HZ2 LYS 28 -13.651 -16.080 -20.683 237 HZ3 LYS 28 HZ3 LYS 28 -13.776 -16.755 -19.178 238 H THR 29 H THR 29 -14.389 -14.011 -15.079 239 HA THR 29 HA THR 29 -13.070 -16.093 -13.594 240 HB THR 29 HB THR 29 -12.804 -14.299 -12.000 241 HG1 THR 29 HG1 THR 29 -13.622 -16.382 -11.223 242 HG21 THR 29 HG21 THR 29 -14.394 -12.629 -12.609 243 HG22 THR 29 HG22 THR 29 -14.852 -13.175 -10.978 244 HG23 THR 29 HG23 THR 29 -15.756 -13.753 -12.376 245 H ASN 30 H ASN 30 -14.838 -17.394 -12.484 246 HA ASN 30 HA ASN 30 -17.251 -17.532 -14.239 247 HB2 ASN 30 HB2 ASN 30 -15.763 -19.705 -12.722 248 HB3 ASN 30 HB3 ASN 30 -17.305 -19.919 -13.549 249 HD21 ASN 30 HD21 ASN 30 -15.044 -21.493 -14.302 250 HD22 ASN 30 HD22 ASN 30 -14.668 -21.010 -15.947 251 H ARG 31 H ARG 31 -16.390 -16.232 -11.291 252 HA ARG 31 HA ARG 31 -19.010 -16.915 -10.040 253 HB2 ARG 31 HB2 ARG 31 -17.980 -16.923 -7.968 254 HB3 ARG 31 HB3 ARG 31 -16.942 -17.904 -8.979 255 HG2 ARG 31 HG2 ARG 31 -15.704 -15.515 -9.308 256 HG3 ARG 31 HG3 ARG 31 -16.470 -15.181 -7.768 257 HD2 ARG 31 HD2 ARG 31 -14.768 -17.658 -8.307 258 HD3 ARG 31 HD3 ARG 31 -14.128 -16.118 -7.747 259 HE ARG 31 HE ARG 31 -16.361 -17.509 -6.286 260 HH11 ARG 31 HH11 ARG 31 -12.973 -16.303 -5.999 261 HH12 ARG 31 HH12 ARG 31 -13.228 -15.980 -4.301 262 HH21 ARG 31 HH21 ARG 31 -16.376 -17.498 -4.094 263 HH22 ARG 31 HH22 ARG 31 -14.908 -17.155 -3.191 264 H ASP 32 H ASP 32 -19.634 -15.118 -8.555 265 HA ASP 32 HA ASP 32 -18.889 -12.456 -9.628 266 HB2 ASP 32 HB2 ASP 32 -21.306 -11.831 -9.715 267 HB3 ASP 32 HB3 ASP 32 -20.762 -12.997 -10.923 268 H SER 33 H SER 33 -19.286 -14.373 -7.036 269 HA SER 33 HA SER 33 -20.206 -12.330 -5.114 270 HB2 SER 33 HB2 SER 33 -19.026 -15.101 -4.739 271 HB3 SER 33 HB3 SER 33 -19.806 -14.142 -3.477 272 HG SER 33 HG SER 33 -21.758 -14.401 -4.474 273 H ILE 34 H ILE 34 -17.656 -12.059 -6.671 274 HA ILE 34 HA ILE 34 -15.346 -12.348 -5.090 275 HB ILE 34 HB ILE 34 -14.246 -11.012 -6.788 276 HG12 ILE 34 HG12 ILE 34 -15.892 -10.121 -8.682 277 HG13 ILE 34 HG13 ILE 34 -16.991 -9.893 -7.339 278 HG21 ILE 34 HG21 ILE 34 -14.763 -12.319 -8.695 279 HG22 ILE 34 HG22 ILE 34 -15.062 -13.331 -7.282 280 HG23 ILE 34 HG23 ILE 34 -16.429 -12.610 -8.171 281 HD11 ILE 34 HD11 ILE 34 -15.691 -7.840 -7.808 282 HD12 ILE 34 HD12 ILE 34 -15.314 -8.433 -6.220 283 HD13 ILE 34 HD13 ILE 34 -14.161 -8.699 -7.546 284 HA PRO 35 HA PRO 35 -15.483 -8.975 -2.244 285 HB2 PRO 35 HB2 PRO 35 -12.865 -8.445 -1.791 286 HB3 PRO 35 HB3 PRO 35 -13.581 -10.018 -1.339 287 HG2 PRO 35 HG2 PRO 35 -12.053 -9.344 -3.853 288 HG3 PRO 35 HG3 PRO 35 -11.746 -10.702 -2.733 289 HD2 PRO 35 HD2 PRO 35 -13.213 -11.039 -4.976 290 HD3 PRO 35 HD3 PRO 35 -13.704 -11.828 -3.447 291 H SER 36 H SER 36 -15.834 -6.734 -2.444 292 HA SER 36 HA SER 36 -15.393 -5.439 -4.904 293 HB2 SER 36 HB2 SER 36 -15.685 -3.286 -3.393 294 HB3 SER 36 HB3 SER 36 -17.028 -4.396 -3.717 295 HG SER 36 HG SER 36 -15.532 -4.023 -1.381 296 H GLU 37 H GLU 37 -13.214 -5.803 -2.178 297 HA GLU 37 HA GLU 37 -11.480 -3.671 -2.564 298 HB2 GLU 37 HB2 GLU 37 -9.902 -4.829 -1.287 299 HB3 GLU 37 HB3 GLU 37 -11.457 -5.471 -0.749 300 HG2 GLU 37 HG2 GLU 37 -11.029 -7.412 -2.402 301 HG3 GLU 37 HG3 GLU 37 -9.377 -6.798 -2.526 302 H LEU 38 H LEU 38 -11.862 -6.541 -4.569 303 HA LEU 38 HA LEU 38 -9.422 -6.153 -6.085 304 HB2 LEU 38 HB2 LEU 38 -11.844 -7.913 -6.221 305 HB3 LEU 38 HB3 LEU 38 -11.045 -7.625 -7.748 306 HG LEU 38 HG LEU 38 -9.012 -8.618 -7.056 307 HD11 LEU 38 HD11 LEU 38 -10.015 -8.717 -4.170 308 HD12 LEU 38 HD12 LEU 38 -8.669 -7.740 -4.770 309 HD13 LEU 38 HD13 LEU 38 -8.541 -9.495 -4.776 310 HD21 LEU 38 HD21 LEU 38 -10.826 -10.167 -7.547 311 HD22 LEU 38 HD22 LEU 38 -11.317 -10.189 -5.841 312 HD23 LEU 38 HD23 LEU 38 -9.753 -10.875 -6.324 313 H LEU 39 H LEU 39 -12.850 -5.443 -6.808 314 HA LEU 39 HA LEU 39 -12.347 -4.095 -9.267 315 HB2 LEU 39 HB2 LEU 39 -14.564 -3.793 -7.211 316 HB3 LEU 39 HB3 LEU 39 -14.550 -2.875 -8.709 317 HG LEU 39 HG LEU 39 -14.358 -5.899 -8.797 318 HD11 LEU 39 HD11 LEU 39 -16.332 -5.346 -7.456 319 HD12 LEU 39 HD12 LEU 39 -16.828 -5.948 -9.042 320 HD13 LEU 39 HD13 LEU 39 -16.882 -4.204 -8.691 321 HD21 LEU 39 HD21 LEU 39 -15.389 -5.558 -11.034 322 HD22 LEU 39 HD22 LEU 39 -13.888 -4.636 -10.895 323 HD23 LEU 39 HD23 LEU 39 -15.447 -3.808 -10.751 324 H GLU 40 H GLU 40 -12.178 -2.951 -5.966 325 HA GLU 40 HA GLU 40 -11.974 -0.121 -6.525 326 HB2 GLU 40 HB2 GLU 40 -11.183 -1.789 -4.117 327 HB3 GLU 40 HB3 GLU 40 -11.222 -0.024 -4.150 328 HG2 GLU 40 HG2 GLU 40 -13.697 -1.688 -4.781 329 HG3 GLU 40 HG3 GLU 40 -13.241 -1.282 -3.147 330 H GLU 41 H GLU 41 -9.499 -2.568 -5.460 331 HA GLU 41 HA GLU 41 -7.381 -0.773 -5.916 332 HB2 GLU 41 HB2 GLU 41 -7.610 -3.189 -4.643 333 HB3 GLU 41 HB3 GLU 41 -6.787 -3.689 -6.108 334 HG2 GLU 41 HG2 GLU 41 -5.084 -3.158 -4.573 335 HG3 GLU 41 HG3 GLU 41 -5.140 -1.738 -5.583 336 H TRP 42 H TRP 42 -8.969 -3.070 -8.088 337 HA TRP 42 HA TRP 42 -7.012 -3.033 -10.149 338 HB2 TRP 42 HB2 TRP 42 -10.026 -3.326 -10.365 339 HB3 TRP 42 HB3 TRP 42 -8.882 -3.584 -11.667 340 HD1 TRP 42 HD1 TRP 42 -6.864 -5.247 -9.543 341 HE1 TRP 42 HE1 TRP 42 -7.478 -7.638 -8.978 342 HE3 TRP 42 HE3 TRP 42 -11.692 -5.161 -11.124 343 HZ2 TRP 42 HZ2 TRP 42 -9.743 -9.475 -9.641 344 HZ3 TRP 42 HZ3 TRP 42 -13.063 -7.214 -11.124 345 HH2 TRP 42 HH2 TRP 42 -12.080 -9.357 -10.387 346 H LYS 43 H LYS 43 -9.868 -0.943 -9.526 347 HA LYS 43 HA LYS 43 -9.572 0.695 -11.909 348 HB2 LYS 43 HB2 LYS 43 -11.679 0.522 -10.595 349 HB3 LYS 43 HB3 LYS 43 -10.838 1.118 -9.171 350 HG2 LYS 43 HG2 LYS 43 -10.476 3.324 -10.467 351 HG3 LYS 43 HG3 LYS 43 -11.611 2.684 -11.659 352 HD2 LYS 43 HD2 LYS 43 -13.330 2.442 -9.890 353 HD3 LYS 43 HD3 LYS 43 -12.162 2.826 -8.643 354 HE2 LYS 43 HE2 LYS 43 -13.482 4.738 -8.848 355 HE3 LYS 43 HE3 LYS 43 -11.903 5.135 -9.519 356 HZ1 LYS 43 HZ1 LYS 43 -12.826 5.027 -11.706 357 HZ2 LYS 43 HZ2 LYS 43 -13.828 5.942 -10.787 358 HZ3 LYS 43 HZ3 LYS 43 -14.285 4.444 -11.146 359 H GLN 44 H GLN 44 -8.165 0.724 -8.726 360 HA GLN 44 HA GLN 44 -7.087 3.444 -8.892 361 HB2 GLN 44 HB2 GLN 44 -6.483 1.063 -7.101 362 HB3 GLN 44 HB3 GLN 44 -5.665 2.611 -6.943 363 HG2 GLN 44 HG2 GLN 44 -7.644 3.732 -6.254 364 HG3 GLN 44 HG3 GLN 44 -8.688 2.453 -6.851 365 HE21 GLN 44 HE21 GLN 44 -5.716 2.006 -4.778 366 HE22 GLN 44 HE22 GLN 44 -6.641 0.986 -3.689 367 H HIS 45 H HIS 45 -5.591 0.178 -9.191 368 HA HIS 45 HA HIS 45 -3.133 1.409 -10.251 369 HB2 HIS 45 HB2 HIS 45 -3.866 -1.424 -9.431 370 HB3 HIS 45 HB3 HIS 45 -2.293 -0.973 -10.066 371 HD1 HIS 45 HD1 HIS 45 -0.541 0.034 -8.394 372 HD2 HIS 45 HD2 HIS 45 -4.492 -0.193 -6.939 373 HE1 HIS 45 HE1 HIS 45 -0.404 0.460 -5.902 374 H LYS 46 H LYS 46 -5.843 0.964 -11.779 375 HA LYS 46 HA LYS 46 -5.580 -0.961 -13.736 376 HB2 LYS 46 HB2 LYS 46 -7.131 0.304 -15.156 377 HB3 LYS 46 HB3 LYS 46 -7.631 0.112 -13.501 378 HG2 LYS 46 HG2 LYS 46 -8.245 2.230 -13.656 379 HG3 LYS 46 HG3 LYS 46 -6.561 2.514 -13.187 380 HD2 LYS 46 HD2 LYS 46 -6.036 2.711 -15.692 381 HD3 LYS 46 HD3 LYS 46 -7.798 2.664 -15.965 382 HE2 LYS 46 HE2 LYS 46 -8.042 4.524 -14.286 383 HE3 LYS 46 HE3 LYS 46 -6.292 4.585 -14.121 384 HZ1 LYS 46 HZ1 LYS 46 -6.223 5.184 -16.536 385 HZ2 LYS 46 HZ2 LYS 46 -6.917 6.246 -15.537 386 HZ3 LYS 46 HZ3 LYS 46 -7.904 5.332 -16.465 387 H GLN 47 H GLN 47 -4.064 2.241 -13.746 388 HA GLN 47 HA GLN 47 -3.212 2.127 -16.442 389 HB2 GLN 47 HB2 GLN 47 -3.210 4.205 -15.124 390 HB3 GLN 47 HB3 GLN 47 -2.000 3.527 -14.031 391 HG2 GLN 47 HG2 GLN 47 -0.933 5.059 -15.629 392 HG3 GLN 47 HG3 GLN 47 -0.358 3.437 -15.933 393 HE21 GLN 47 HE21 GLN 47 -1.081 2.280 -17.843 394 HE22 GLN 47 HE22 GLN 47 -1.862 3.133 -19.158 395 H GLU 48 H GLU 48 -1.452 1.184 -13.423 396 HA GLU 48 HA GLU 48 0.811 0.222 -15.020 397 HB2 GLU 48 HB2 GLU 48 1.748 -0.569 -12.924 398 HB3 GLU 48 HB3 GLU 48 1.273 1.127 -12.845 399 HG2 GLU 48 HG2 GLU 48 -0.763 0.545 -11.607 400 HG3 GLU 48 HG3 GLU 48 -0.379 -1.176 -11.710 401 H LEU 49 H LEU 49 -2.099 -1.209 -13.610 402 HA LEU 49 HA LEU 49 -1.374 -3.943 -13.830 403 HB2 LEU 49 HB2 LEU 49 -3.979 -2.432 -13.895 404 HB3 LEU 49 HB3 LEU 49 -3.990 -4.143 -14.266 405 HG LEU 49 HG LEU 49 -2.755 -3.118 -11.692 406 HD11 LEU 49 HD11 LEU 49 -5.608 -4.130 -12.125 407 HD12 LEU 49 HD12 LEU 49 -5.155 -2.447 -11.775 408 HD13 LEU 49 HD13 LEU 49 -4.856 -3.706 -10.576 409 HD21 LEU 49 HD21 LEU 49 -3.185 -5.456 -10.973 410 HD22 LEU 49 HD22 LEU 49 -2.146 -5.431 -12.403 411 HD23 LEU 49 HD23 LEU 49 -3.863 -5.838 -12.559 412 H ILE 50 H ILE 50 -2.586 -1.646 -16.211 413 HA ILE 50 HA ILE 50 -2.889 -3.575 -18.347 414 HB ILE 50 HB ILE 50 -2.467 -0.541 -18.446 415 HG12 ILE 50 HG12 ILE 50 -4.980 -2.028 -19.258 416 HG13 ILE 50 HG13 ILE 50 -4.649 -1.663 -17.578 417 HG21 ILE 50 HG21 ILE 50 -3.221 -0.673 -20.837 418 HG22 ILE 50 HG22 ILE 50 -1.656 -1.430 -20.578 419 HG23 ILE 50 HG23 ILE 50 -3.104 -2.440 -20.731 420 HD11 ILE 50 HD11 ILE 50 -4.883 0.411 -19.771 421 HD12 ILE 50 HD12 ILE 50 -6.061 0.091 -18.484 422 HD13 ILE 50 HD13 ILE 50 -4.468 0.757 -18.089 423 H ASP 51 H ASP 51 -0.336 -1.173 -17.586 424 HA ASP 51 HA ASP 51 1.462 -1.843 -19.588 425 HB2 ASP 51 HB2 ASP 51 1.255 0.075 -17.662 426 HB3 ASP 51 HB3 ASP 51 2.460 -0.925 -16.879 427 H PHE 52 H PHE 52 0.986 -3.469 -16.565 428 HA PHE 52 HA PHE 52 3.397 -5.126 -16.807 429 HB2 PHE 52 HB2 PHE 52 2.776 -4.298 -14.634 430 HB3 PHE 52 HB3 PHE 52 1.111 -4.864 -14.840 431 HD1 PHE 52 HD1 PHE 52 4.647 -6.152 -14.847 432 HD2 PHE 52 HD2 PHE 52 0.506 -7.027 -14.083 433 HE1 PHE 52 HE1 PHE 52 5.289 -8.360 -13.953 434 HE2 PHE 52 HE2 PHE 52 1.162 -9.243 -13.117 435 HZ PHE 52 HZ PHE 52 3.542 -9.888 -13.007 436 H LEU 53 H LEU 53 -0.160 -5.448 -17.226 437 HA LEU 53 HA LEU 53 0.078 -8.360 -17.608 438 HB2 LEU 53 HB2 LEU 53 -2.132 -6.345 -17.893 439 HB3 LEU 53 HB3 LEU 53 -2.365 -7.997 -18.433 440 HG LEU 53 HG LEU 53 -1.472 -7.359 -15.582 441 HD11 LEU 53 HD11 LEU 53 -4.320 -7.784 -16.561 442 HD12 LEU 53 HD12 LEU 53 -3.612 -6.221 -16.104 443 HD13 LEU 53 HD13 LEU 53 -3.761 -7.488 -14.887 444 HD21 LEU 53 HD21 LEU 53 -2.704 -9.789 -16.954 445 HD22 LEU 53 HD22 LEU 53 -2.590 -9.619 -15.188 446 HD23 LEU 53 HD23 LEU 53 -1.123 -9.670 -16.158 447 H THR 54 H THR 54 -0.259 -5.481 -19.689 448 HA THR 54 HA THR 54 -0.711 -6.854 -22.106 449 HB THR 54 HB THR 54 -1.120 -4.476 -21.457 450 HG1 THR 54 HG1 THR 54 -0.284 -5.289 -23.967 451 HG21 THR 54 HG21 THR 54 0.457 -2.755 -21.709 452 HG22 THR 54 HG22 THR 54 1.653 -3.821 -22.495 453 HG23 THR 54 HG23 THR 54 1.304 -3.977 -20.768 454 H GLN 55 H GLN 55 2.270 -6.046 -20.346 455 HA GLN 55 HA GLN 55 4.000 -6.651 -22.626 456 HB2 GLN 55 HB2 GLN 55 5.798 -6.144 -21.189 457 HB3 GLN 55 HB3 GLN 55 4.519 -5.010 -20.801 458 HG2 GLN 55 HG2 GLN 55 4.904 -5.598 -18.633 459 HG3 GLN 55 HG3 GLN 55 3.918 -6.968 -19.042 460 HE21 GLN 55 HE21 GLN 55 4.805 -8.949 -18.425 461 HE22 GLN 55 HE22 GLN 55 6.554 -9.215 -18.411 462 H LEU 56 H LEU 56 2.452 -8.471 -20.013 463 HA LEU 56 HA LEU 56 4.179 -10.745 -20.313 464 HB2 LEU 56 HB2 LEU 56 3.450 -11.121 -18.247 465 HB3 LEU 56 HB3 LEU 56 2.414 -9.719 -18.356 466 HG LEU 56 HG LEU 56 0.630 -11.269 -19.378 467 HD11 LEU 56 HD11 LEU 56 0.834 -13.666 -18.633 468 HD12 LEU 56 HD12 LEU 56 2.505 -13.345 -18.117 469 HD13 LEU 56 HD13 LEU 56 2.071 -13.270 -19.820 470 HD21 LEU 56 HD21 LEU 56 0.801 -10.367 -16.960 471 HD22 LEU 56 HD22 LEU 56 1.291 -12.012 -16.541 472 HD23 LEU 56 HD23 LEU 56 -0.282 -11.730 -17.314 473 H GLU 57 H GLU 57 0.939 -9.634 -21.372 474 HA GLU 57 HA GLU 57 -0.159 -11.900 -22.470 475 HB2 GLU 57 HB2 GLU 57 -1.244 -9.701 -22.194 476 HB3 GLU 57 HB3 GLU 57 -0.320 -9.055 -23.547 477 HG2 GLU 57 HG2 GLU 57 -1.435 -10.597 -25.097 478 HG3 GLU 57 HG3 GLU 57 -2.191 -11.457 -23.750 479 H SER 58 H SER 58 2.447 -10.019 -23.770 480 HA SER 58 HA SER 58 2.395 -11.221 -26.422 481 HB2 SER 58 HB2 SER 58 3.144 -8.925 -25.963 482 HB3 SER 58 HB3 SER 58 4.428 -9.543 -24.921 483 HG SER 58 HG SER 58 4.730 -8.938 -27.317 484 H GLU 59 H GLU 59 3.992 -12.053 -23.335 485 HA GLU 59 HA GLU 59 6.060 -13.673 -24.588 486 HB2 GLU 59 HB2 GLU 59 6.403 -12.581 -22.416 487 HB3 GLU 59 HB3 GLU 59 5.146 -13.590 -21.681 488 HG2 GLU 59 HG2 GLU 59 6.440 -15.577 -21.948 489 HG3 GLU 59 HG3 GLU 59 7.479 -14.844 -23.167 490 H GLU 60 H GLU 60 5.824 -15.766 -25.329 491 HA GLU 60 HA GLU 60 3.194 -16.981 -24.882 492 HB2 GLU 60 HB2 GLU 60 4.953 -16.863 -27.125 493 HB3 GLU 60 HB3 GLU 60 4.820 -18.565 -26.638 494 HG2 GLU 60 HG2 GLU 60 2.296 -18.211 -26.483 495 HG3 GLU 60 HG3 GLU 60 2.536 -16.600 -27.182 496 H GLU 61 H GLU 61 5.872 -17.011 -23.113 497 HA GLU 61 HA GLU 61 5.521 -19.855 -22.267 498 HB2 GLU 61 HB2 GLU 61 7.791 -19.064 -23.133 499 HB3 GLU 61 HB3 GLU 61 7.917 -18.126 -21.642 500 HG2 GLU 61 HG2 GLU 61 7.596 -20.238 -20.317 501 HG3 GLU 61 HG3 GLU 61 7.370 -21.139 -21.817 502 H SER 62 H SER 62 3.627 -18.141 -21.728 503 HA SER 62 HA SER 62 3.752 -16.623 -19.314 504 HB2 SER 62 HB2 SER 62 1.217 -16.867 -19.437 505 HB3 SER 62 HB3 SER 62 2.004 -16.154 -20.854 506 HG SER 62 HG SER 62 1.005 -18.799 -20.547
Contact the webmaster for help, if required. Friday, May 17, 2024 9:17:31 PM GMT (wattos1)