NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
647291 | 6jtf | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.817 3.826 0.226 159 HA ALA 29 HA ALA 29 -19.857 4.273 2.309 160 HB1 ALA 29 HB1 ALA 29 -22.035 4.270 3.736 161 HB2 ALA 29 HB2 ALA 29 -22.846 4.220 2.172 162 HB3 ALA 29 HB3 ALA 29 -21.785 5.568 2.567 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.656 2.606 9.982 286 HA ALA 46 HA ALA 46 -21.994 0.916 8.245 287 HB1 ALA 46 HB1 ALA 46 -22.039 2.525 6.442 288 HB2 ALA 46 HB2 ALA 46 -23.051 3.617 7.389 289 HB3 ALA 46 HB3 ALA 46 -23.704 2.082 6.820 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.662 3.528 10.241 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.411 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.528 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.826 5.088 11.601 303 HA LEU 50 HA LEU 50 -10.473 6.160 8.866 304 HB2 LEU 50 HB2 LEU 50 -10.833 8.454 10.143 305 HB3 LEU 50 HB3 LEU 50 -12.116 7.546 9.370 306 HG LEU 50 HG LEU 50 -12.319 6.321 11.685 307 HD11 LEU 50 HD11 LEU 50 -10.230 7.361 12.442 308 HD12 LEU 50 HD12 LEU 50 -11.597 7.657 13.521 309 HD13 LEU 50 HD13 LEU 50 -11.035 8.919 12.441 310 HD21 LEU 50 HD21 LEU 50 -13.299 9.021 10.884 311 HD22 LEU 50 HD22 LEU 50 -13.610 8.491 12.531 312 HD23 LEU 50 HD23 LEU 50 -14.200 7.534 11.171 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.398 7.853 7.727 326 HA LEU 53 HA LEU 53 -9.048 9.503 5.370 327 HB2 LEU 53 HB2 LEU 53 -10.486 8.265 7.637 328 HB3 LEU 53 HB3 LEU 53 -11.164 9.773 7.066 329 HG LEU 53 HG LEU 53 -11.767 8.903 4.988 330 HD11 LEU 53 HD11 LEU 53 -9.496 6.982 5.386 331 HD12 LEU 53 HD12 LEU 53 -9.904 7.952 3.972 332 HD13 LEU 53 HD13 LEU 53 -10.828 6.504 4.337 333 HD21 LEU 53 HD21 LEU 53 -12.795 6.677 5.464 334 HD22 LEU 53 HD22 LEU 53 -13.059 7.844 6.762 335 HD23 LEU 53 HD23 LEU 53 -11.817 6.589 6.935 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.803 11.727 4.648 369 HA VAL 58 HA VAL 58 -15.534 10.386 2.078 370 HB VAL 58 HB VAL 58 -17.308 8.833 3.195 371 HG11 VAL 58 HG11 VAL 58 -14.473 9.183 4.243 372 HG12 VAL 58 HG12 VAL 58 -14.986 8.158 2.902 373 HG13 VAL 58 HG13 VAL 58 -15.472 7.760 4.551 374 HG21 VAL 58 HG21 VAL 58 -16.201 10.100 5.707 375 HG22 VAL 58 HG22 VAL 58 -17.574 9.007 5.533 376 HG23 VAL 58 HG23 VAL 58 -17.710 10.682 4.992 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -24.973 15.991 4.409 395 HA HIS 62 HA HIS 62 -26.807 15.656 2.145 396 HB2 HIS 62 HB2 HIS 62 -26.239 13.491 1.667 397 HB3 HIS 62 HB3 HIS 62 -24.694 13.941 2.369 398 HD1 HIS 62 HD1 HIS 62 -27.724 11.856 2.936 399 HD2 HIS 62 HD2 HIS 62 -24.240 12.809 5.033 400 HE1 HIS 62 HE1 HIS 62 -27.466 10.090 4.721 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -31.063 12.904 6.348 409 HA HIS 64 HA HIS 64 -31.651 10.690 4.576 410 HB2 HIS 64 HB2 HIS 64 -31.370 9.279 7.008 411 HB3 HIS 64 HB3 HIS 64 -30.438 9.058 5.532 412 HD1 HIS 64 HD1 HIS 64 -30.301 12.046 7.841 413 HD2 HIS 64 HD2 HIS 64 -27.995 8.823 6.587 414 HE1 HIS 64 HE1 HIS 64 -28.029 12.320 8.896 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.865 10.702 12.888 436 HA GLU 68 HA GLU 68 -28.790 7.945 12.614 437 HB2 GLU 68 HB2 GLU 68 -28.272 8.809 10.513 438 HB3 GLU 68 HB3 GLU 68 -28.129 10.451 11.090 439 HG2 GLU 68 HG2 GLU 68 -25.941 10.076 11.963 440 HG3 GLU 68 HG3 GLU 68 -26.127 8.324 11.889 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.195 16.552 6.374 746 HA HIS 107 HA HIS 107 -24.290 18.015 8.078 747 HB2 HIS 107 HB2 HIS 107 -24.399 16.508 9.874 748 HB3 HIS 107 HB3 HIS 107 -26.086 16.438 9.343 749 HD1 HIS 107 HD1 HIS 107 -22.774 14.702 8.812 750 HD2 HIS 107 HD2 HIS 107 -26.806 13.908 8.130 751 HE1 HIS 107 HE1 HIS 107 -22.885 12.546 7.500 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.067 4.378 11.280 853 HA2 GLY 122 HA2 GLY 122 -23.490 6.637 12.578 854 HA3 GLY 122 HA3 GLY 122 -23.558 6.292 10.838 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -23.968 6.851 6.434 920 H2 TRP 202 H2 TRP 202 -24.427 6.591 8.049 921 H3 TRP 202 H3 TRP 202 -23.229 5.620 7.338 922 HA TRP 202 HA TRP 202 -22.497 7.460 8.890 923 HB2 TRP 202 HB2 TRP 202 -21.378 6.260 6.590 924 HB3 TRP 202 HB3 TRP 202 -20.991 7.956 6.420 925 HD1 TRP 202 HD1 TRP 202 -20.828 7.423 10.083 926 HE1 TRP 202 HE1 TRP 202 -18.441 6.901 10.816 927 HE3 TRP 202 HE3 TRP 202 -18.696 6.362 5.544 928 HZ2 TRP 202 HZ2 TRP 202 -15.945 6.132 9.670 929 HZ3 TRP 202 HZ3 TRP 202 -16.304 5.737 5.414 930 HH2 TRP 202 HH2 TRP 202 -14.926 5.623 7.470 Start of MODEL 2 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.828 0.227 159 HA ALA 29 HA ALA 29 -19.850 4.271 2.306 160 HB1 ALA 29 HB1 ALA 29 -22.014 4.288 3.742 161 HB2 ALA 29 HB2 ALA 29 -22.840 4.223 2.186 162 HB3 ALA 29 HB3 ALA 29 -21.774 5.574 2.557 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.660 2.608 9.980 286 HA ALA 46 HA ALA 46 -21.999 0.923 8.238 287 HB1 ALA 46 HB1 ALA 46 -23.289 3.538 7.436 288 HB2 ALA 46 HB2 ALA 46 -23.545 1.962 6.688 289 HB3 ALA 46 HB3 ALA 46 -21.983 2.766 6.537 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.662 3.528 10.241 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.410 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.529 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.824 5.029 11.641 303 HA LEU 50 HA LEU 50 -10.636 6.365 9.020 304 HB2 LEU 50 HB2 LEU 50 -10.535 8.109 11.376 305 HB3 LEU 50 HB3 LEU 50 -11.334 8.328 9.821 306 HG LEU 50 HG LEU 50 -12.760 6.196 10.743 307 HD11 LEU 50 HD11 LEU 50 -11.290 6.350 12.793 308 HD12 LEU 50 HD12 LEU 50 -13.016 6.289 13.069 309 HD13 LEU 50 HD13 LEU 50 -12.165 7.814 13.204 310 HD21 LEU 50 HD21 LEU 50 -13.404 8.974 11.697 311 HD22 LEU 50 HD22 LEU 50 -14.466 7.638 11.281 312 HD23 LEU 50 HD23 LEU 50 -13.593 8.464 10.013 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.392 7.850 7.728 326 HA LEU 53 HA LEU 53 -9.057 9.494 5.371 327 HB2 LEU 53 HB2 LEU 53 -10.479 8.265 7.654 328 HB3 LEU 53 HB3 LEU 53 -11.169 9.761 7.065 329 HG LEU 53 HG LEU 53 -11.762 8.859 4.997 330 HD11 LEU 53 HD11 LEU 53 -9.491 6.942 5.428 331 HD12 LEU 53 HD12 LEU 53 -9.886 7.903 4.004 332 HD13 LEU 53 HD13 LEU 53 -10.818 6.461 4.373 333 HD21 LEU 53 HD21 LEU 53 -12.778 6.632 5.497 334 HD22 LEU 53 HD22 LEU 53 -13.058 7.817 6.776 335 HD23 LEU 53 HD23 LEU 53 -11.812 6.572 6.977 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.801 11.731 4.647 369 HA VAL 58 HA VAL 58 -15.531 10.388 2.080 370 HB VAL 58 HB VAL 58 -17.302 8.840 3.227 371 HG11 VAL 58 HG11 VAL 58 -15.128 7.954 2.977 372 HG12 VAL 58 HG12 VAL 58 -15.334 7.940 4.725 373 HG13 VAL 58 HG13 VAL 58 -14.389 9.215 3.962 374 HG21 VAL 58 HG21 VAL 58 -17.528 9.039 5.572 375 HG22 VAL 58 HG22 VAL 58 -17.671 10.706 5.015 376 HG23 VAL 58 HG23 VAL 58 -16.150 10.132 5.708 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -24.995 16.016 4.413 395 HA HIS 62 HA HIS 62 -26.848 15.765 2.192 396 HB2 HIS 62 HB2 HIS 62 -26.406 13.589 1.616 397 HB3 HIS 62 HB3 HIS 62 -24.794 14.167 1.973 398 HD1 HIS 62 HD1 HIS 62 -26.585 11.318 2.257 399 HD2 HIS 62 HD2 HIS 62 -24.380 13.386 5.135 400 HE1 HIS 62 HE1 HIS 62 -25.830 9.609 3.928 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -30.985 12.969 6.391 409 HA HIS 64 HA HIS 64 -31.390 10.418 4.912 410 HB2 HIS 64 HB2 HIS 64 -31.102 10.379 7.926 411 HB3 HIS 64 HB3 HIS 64 -30.794 9.088 6.747 412 HD1 HIS 64 HD1 HIS 64 -29.609 12.623 7.155 413 HD2 HIS 64 HD2 HIS 64 -28.081 8.835 6.410 414 HE1 HIS 64 HE1 HIS 64 -27.275 12.956 6.315 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.882 10.718 12.847 436 HA GLU 68 HA GLU 68 -28.763 7.984 12.512 437 HB2 GLU 68 HB2 GLU 68 -28.366 8.964 10.429 438 HB3 GLU 68 HB3 GLU 68 -28.269 10.579 11.074 439 HG2 GLU 68 HG2 GLU 68 -25.993 9.943 12.047 440 HG3 GLU 68 HG3 GLU 68 -26.115 8.441 11.135 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.269 16.516 6.399 746 HA HIS 107 HA HIS 107 -24.358 17.870 8.200 747 HB2 HIS 107 HB2 HIS 107 -24.585 16.270 9.876 748 HB3 HIS 107 HB3 HIS 107 -26.209 16.133 9.200 749 HD1 HIS 107 HD1 HIS 107 -22.763 14.672 8.473 750 HD2 HIS 107 HD2 HIS 107 -26.722 13.387 8.393 751 HE1 HIS 107 HE1 HIS 107 -22.759 12.402 7.374 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.062 4.402 11.259 853 HA2 GLY 122 HA2 GLY 122 -23.487 6.649 12.573 854 HA3 GLY 122 HA3 GLY 122 -23.559 6.306 10.832 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -23.561 6.353 7.886 920 H2 TRP 202 H2 TRP 202 -23.847 7.716 8.860 921 H3 TRP 202 H3 TRP 202 -22.641 6.599 9.290 922 HA TRP 202 HA TRP 202 -21.558 8.461 8.370 923 HB2 TRP 202 HB2 TRP 202 -21.648 5.896 6.898 924 HB3 TRP 202 HB3 TRP 202 -20.921 7.223 6.012 925 HD1 TRP 202 HD1 TRP 202 -20.584 6.951 9.817 926 HE1 TRP 202 HE1 TRP 202 -18.104 6.579 10.399 927 HE3 TRP 202 HE3 TRP 202 -18.651 6.269 5.126 928 HZ2 TRP 202 HZ2 TRP 202 -15.634 6.050 9.067 929 HZ3 TRP 202 HZ3 TRP 202 -16.241 5.814 4.823 930 HH2 TRP 202 HH2 TRP 202 -14.727 5.710 6.783 Start of MODEL 3 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.827 0.227 159 HA ALA 29 HA ALA 29 -19.851 4.271 2.305 160 HB1 ALA 29 HB1 ALA 29 -22.012 4.289 3.742 161 HB2 ALA 29 HB2 ALA 29 -22.841 4.220 2.187 162 HB3 ALA 29 HB3 ALA 29 -21.777 5.573 2.555 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.660 2.608 9.981 286 HA ALA 46 HA ALA 46 -21.999 0.922 8.238 287 HB1 ALA 46 HB1 ALA 46 -23.209 3.575 7.426 288 HB2 ALA 46 HB2 ALA 46 -23.609 2.003 6.735 289 HB3 ALA 46 HB3 ALA 46 -22.000 2.685 6.501 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.662 3.528 10.241 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.411 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.528 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.826 5.029 11.642 303 HA LEU 50 HA LEU 50 -10.637 6.365 9.021 304 HB2 LEU 50 HB2 LEU 50 -10.537 8.105 11.381 305 HB3 LEU 50 HB3 LEU 50 -11.332 8.330 9.824 306 HG LEU 50 HG LEU 50 -12.762 6.196 10.737 307 HD11 LEU 50 HD11 LEU 50 -12.175 7.816 13.199 308 HD12 LEU 50 HD12 LEU 50 -11.301 6.348 12.793 309 HD13 LEU 50 HD13 LEU 50 -13.027 6.291 13.063 310 HD21 LEU 50 HD21 LEU 50 -13.406 8.976 11.688 311 HD22 LEU 50 HD22 LEU 50 -14.469 7.638 11.277 312 HD23 LEU 50 HD23 LEU 50 -13.597 8.461 10.005 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.392 7.849 7.729 326 HA LEU 53 HA LEU 53 -9.061 9.492 5.373 327 HB2 LEU 53 HB2 LEU 53 -10.478 8.269 7.663 328 HB3 LEU 53 HB3 LEU 53 -11.171 9.759 7.063 329 HG LEU 53 HG LEU 53 -11.752 8.841 4.996 330 HD11 LEU 53 HD11 LEU 53 -9.495 6.913 5.466 331 HD12 LEU 53 HD12 LEU 53 -9.864 7.871 4.032 332 HD13 LEU 53 HD13 LEU 53 -10.813 6.440 4.397 333 HD21 LEU 53 HD21 LEU 53 -13.058 7.823 6.784 334 HD22 LEU 53 HD22 LEU 53 -11.818 6.574 6.998 335 HD23 LEU 53 HD23 LEU 53 -12.779 6.627 5.514 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.799 11.728 4.645 369 HA VAL 58 HA VAL 58 -15.525 10.396 2.073 370 HB VAL 58 HB VAL 58 -17.270 8.825 3.208 371 HG11 VAL 58 HG11 VAL 58 -14.371 9.248 3.979 372 HG12 VAL 58 HG12 VAL 58 -15.071 7.985 2.968 373 HG13 VAL 58 HG13 VAL 58 -15.302 7.942 4.713 374 HG21 VAL 58 HG21 VAL 58 -17.508 9.009 5.556 375 HG22 VAL 58 HG22 VAL 58 -17.688 10.672 4.998 376 HG23 VAL 58 HG23 VAL 58 -16.157 10.135 5.697 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -24.996 16.017 4.413 395 HA HIS 62 HA HIS 62 -26.849 15.767 2.192 396 HB2 HIS 62 HB2 HIS 62 -26.405 13.592 1.614 397 HB3 HIS 62 HB3 HIS 62 -24.794 14.169 1.974 398 HD1 HIS 62 HD1 HIS 62 -26.597 11.325 2.257 399 HD2 HIS 62 HD2 HIS 62 -24.372 13.380 5.129 400 HE1 HIS 62 HE1 HIS 62 -25.843 9.610 3.922 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -30.984 12.969 6.392 409 HA HIS 64 HA HIS 64 -31.388 10.416 4.915 410 HB2 HIS 64 HB2 HIS 64 -31.100 10.386 7.930 411 HB3 HIS 64 HB3 HIS 64 -30.798 9.088 6.756 412 HD1 HIS 64 HD1 HIS 64 -29.599 12.621 7.137 413 HD2 HIS 64 HD2 HIS 64 -28.081 8.821 6.430 414 HE1 HIS 64 HE1 HIS 64 -27.261 12.940 6.304 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.884 10.718 12.849 436 HA GLU 68 HA GLU 68 -28.764 7.985 12.511 437 HB2 GLU 68 HB2 GLU 68 -28.371 8.965 10.429 438 HB3 GLU 68 HB3 GLU 68 -28.286 10.581 11.072 439 HG2 GLU 68 HG2 GLU 68 -26.004 9.970 12.039 440 HG3 GLU 68 HG3 GLU 68 -26.114 8.462 11.135 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.274 16.514 6.401 746 HA HIS 107 HA HIS 107 -24.362 17.862 8.206 747 HB2 HIS 107 HB2 HIS 107 -24.595 16.257 9.877 748 HB3 HIS 107 HB3 HIS 107 -26.216 16.119 9.193 749 HD1 HIS 107 HD1 HIS 107 -22.765 14.669 8.462 750 HD2 HIS 107 HD2 HIS 107 -26.718 13.366 8.393 751 HE1 HIS 107 HE1 HIS 107 -22.753 12.398 7.366 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.065 4.404 11.260 853 HA2 GLY 122 HA2 GLY 122 -23.488 6.645 12.583 854 HA3 GLY 122 HA3 GLY 122 -23.563 6.311 10.843 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -23.960 7.636 8.620 920 H2 TRP 202 H2 TRP 202 -22.698 6.800 9.390 921 H3 TRP 202 H3 TRP 202 -23.357 6.202 7.945 922 HA TRP 202 HA TRP 202 -21.557 8.463 8.370 923 HB2 TRP 202 HB2 TRP 202 -21.617 5.906 6.880 924 HB3 TRP 202 HB3 TRP 202 -20.879 7.243 6.018 925 HD1 TRP 202 HD1 TRP 202 -20.600 6.958 9.826 926 HE1 TRP 202 HE1 TRP 202 -18.130 6.587 10.445 927 HE3 TRP 202 HE3 TRP 202 -18.598 6.271 5.166 928 HZ2 TRP 202 HZ2 TRP 202 -15.641 6.059 9.153 929 HZ3 TRP 202 HZ3 TRP 202 -16.181 5.817 4.900 930 HH2 TRP 202 HH2 TRP 202 -14.698 5.716 6.884 Start of MODEL 4 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.828 0.227 159 HA ALA 29 HA ALA 29 -19.850 4.271 2.305 160 HB1 ALA 29 HB1 ALA 29 -22.014 4.288 3.742 161 HB2 ALA 29 HB2 ALA 29 -22.840 4.223 2.186 162 HB3 ALA 29 HB3 ALA 29 -21.775 5.574 2.558 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.660 2.608 9.980 286 HA ALA 46 HA ALA 46 -21.999 0.923 8.238 287 HB1 ALA 46 HB1 ALA 46 -23.167 3.593 7.420 288 HB2 ALA 46 HB2 ALA 46 -23.639 2.028 6.759 289 HB3 ALA 46 HB3 ALA 46 -22.011 2.646 6.483 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.662 3.528 10.241 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.411 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.528 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.822 5.029 11.640 303 HA LEU 50 HA LEU 50 -10.634 6.363 9.019 304 HB2 LEU 50 HB2 LEU 50 -10.534 8.111 11.371 305 HB3 LEU 50 HB3 LEU 50 -11.335 8.326 9.817 306 HG LEU 50 HG LEU 50 -12.759 6.197 10.742 307 HD11 LEU 50 HD11 LEU 50 -13.010 6.287 13.069 308 HD12 LEU 50 HD12 LEU 50 -12.165 7.814 13.204 309 HD13 LEU 50 HD13 LEU 50 -11.286 6.351 12.791 310 HD21 LEU 50 HD21 LEU 50 -13.594 8.464 10.015 311 HD22 LEU 50 HD22 LEU 50 -13.401 8.975 11.698 312 HD23 LEU 50 HD23 LEU 50 -14.464 7.639 11.285 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.392 7.850 7.728 326 HA LEU 53 HA LEU 53 -9.054 9.495 5.371 327 HB2 LEU 53 HB2 LEU 53 -10.481 8.261 7.648 328 HB3 LEU 53 HB3 LEU 53 -11.169 9.759 7.061 329 HG LEU 53 HG LEU 53 -11.765 8.861 4.993 330 HD11 LEU 53 HD11 LEU 53 -10.814 6.468 4.359 331 HD12 LEU 53 HD12 LEU 53 -9.486 6.951 5.411 332 HD13 LEU 53 HD13 LEU 53 -9.888 7.916 3.992 333 HD21 LEU 53 HD21 LEU 53 -11.804 6.563 6.961 334 HD22 LEU 53 HD22 LEU 53 -12.775 6.631 5.482 335 HD23 LEU 53 HD23 LEU 53 -13.052 7.805 6.772 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.801 11.730 4.646 369 HA VAL 58 HA VAL 58 -15.531 10.389 2.077 370 HB VAL 58 HB VAL 58 -17.306 8.842 3.222 371 HG11 VAL 58 HG11 VAL 58 -14.389 9.205 3.944 372 HG12 VAL 58 HG12 VAL 58 -15.139 7.948 2.963 373 HG13 VAL 58 HG13 VAL 58 -15.336 7.932 4.711 374 HG21 VAL 58 HG21 VAL 58 -16.143 10.121 5.704 375 HG22 VAL 58 HG22 VAL 58 -17.526 9.035 5.567 376 HG23 VAL 58 HG23 VAL 58 -17.663 10.705 5.017 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -24.994 16.015 4.413 395 HA HIS 62 HA HIS 62 -26.847 15.763 2.191 396 HB2 HIS 62 HB2 HIS 62 -26.403 13.587 1.617 397 HB3 HIS 62 HB3 HIS 62 -24.792 14.165 1.976 398 HD1 HIS 62 HD1 HIS 62 -26.591 11.318 2.263 399 HD2 HIS 62 HD2 HIS 62 -24.372 13.382 5.134 400 HE1 HIS 62 HE1 HIS 62 -25.835 9.607 3.932 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -30.984 12.968 6.392 409 HA HIS 64 HA HIS 64 -31.389 10.417 4.913 410 HB2 HIS 64 HB2 HIS 64 -31.100 10.380 7.928 411 HB3 HIS 64 HB3 HIS 64 -30.794 9.087 6.751 412 HD1 HIS 64 HD1 HIS 64 -29.604 12.622 7.141 413 HD2 HIS 64 HD2 HIS 64 -28.077 8.827 6.429 414 HE1 HIS 64 HE1 HIS 64 -27.266 12.947 6.309 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.884 10.719 12.849 436 HA GLU 68 HA GLU 68 -28.762 7.986 12.511 437 HB2 GLU 68 HB2 GLU 68 -28.359 8.963 10.430 438 HB3 GLU 68 HB3 GLU 68 -28.285 10.581 11.072 439 HG2 GLU 68 HG2 GLU 68 -26.004 9.983 12.050 440 HG3 GLU 68 HG3 GLU 68 -26.102 8.472 11.150 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.270 16.516 6.400 746 HA HIS 107 HA HIS 107 -24.359 17.869 8.201 747 HB2 HIS 107 HB2 HIS 107 -24.589 16.269 9.878 748 HB3 HIS 107 HB3 HIS 107 -26.211 16.130 9.198 749 HD1 HIS 107 HD1 HIS 107 -22.763 14.674 8.475 750 HD2 HIS 107 HD2 HIS 107 -26.719 13.382 8.391 751 HE1 HIS 107 HE1 HIS 107 -22.754 12.404 7.375 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.061 4.402 11.259 853 HA2 GLY 122 HA2 GLY 122 -23.487 6.649 12.573 854 HA3 GLY 122 HA3 GLY 122 -23.559 6.306 10.831 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -23.104 7.426 9.474 920 H2 TRP 202 H2 TRP 202 -22.833 6.063 8.497 921 H3 TRP 202 H3 TRP 202 -24.037 7.186 8.078 922 HA TRP 202 HA TRP 202 -21.524 8.452 8.362 923 HB2 TRP 202 HB2 TRP 202 -21.644 5.889 6.888 924 HB3 TRP 202 HB3 TRP 202 -20.922 7.211 5.993 925 HD1 TRP 202 HD1 TRP 202 -20.539 6.928 9.793 926 HE1 TRP 202 HE1 TRP 202 -18.054 6.543 10.342 927 HE3 TRP 202 HE3 TRP 202 -18.666 6.263 5.074 928 HZ2 TRP 202 HZ2 TRP 202 -15.602 6.011 8.976 929 HZ3 TRP 202 HZ3 TRP 202 -16.261 5.801 4.739 930 HH2 TRP 202 HH2 TRP 202 -14.724 5.680 6.680 Start of MODEL 5 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.830 0.227 159 HA ALA 29 HA ALA 29 -19.851 4.267 2.306 160 HB1 ALA 29 HB1 ALA 29 -22.012 4.288 3.742 161 HB2 ALA 29 HB2 ALA 29 -22.840 4.223 2.184 162 HB3 ALA 29 HB3 ALA 29 -21.770 5.572 2.556 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.701 2.630 9.964 286 HA ALA 46 HA ALA 46 -22.041 1.000 8.158 287 HB1 ALA 46 HB1 ALA 46 -23.881 2.489 6.998 288 HB2 ALA 46 HB2 ALA 46 -22.239 2.491 6.360 289 HB3 ALA 46 HB3 ALA 46 -22.780 3.821 7.389 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.663 3.529 10.240 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.273 9.410 295 HA3 GLY 48 HA3 GLY 48 -14.997 2.529 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.822 5.023 11.633 303 HA LEU 50 HA LEU 50 -10.625 6.312 8.998 304 HB2 LEU 50 HB2 LEU 50 -10.619 8.075 11.326 305 HB3 LEU 50 HB3 LEU 50 -11.377 8.257 9.748 306 HG LEU 50 HG LEU 50 -12.776 6.101 10.650 307 HD11 LEU 50 HD11 LEU 50 -11.405 6.318 12.757 308 HD12 LEU 50 HD12 LEU 50 -13.145 6.266 12.946 309 HD13 LEU 50 HD13 LEU 50 -12.309 7.790 13.087 310 HD21 LEU 50 HD21 LEU 50 -13.743 8.148 9.791 311 HD22 LEU 50 HD22 LEU 50 -13.360 8.977 11.316 312 HD23 LEU 50 HD23 LEU 50 -14.488 7.638 11.283 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.393 7.854 7.728 326 HA LEU 53 HA LEU 53 -9.048 9.494 5.367 327 HB2 LEU 53 HB2 LEU 53 -10.476 8.268 7.641 328 HB3 LEU 53 HB3 LEU 53 -11.171 9.759 7.046 329 HG LEU 53 HG LEU 53 -11.742 8.842 4.974 330 HD11 LEU 53 HD11 LEU 53 -10.800 6.446 4.375 331 HD12 LEU 53 HD12 LEU 53 -9.484 6.915 5.452 332 HD13 LEU 53 HD13 LEU 53 -9.844 7.877 4.013 333 HD21 LEU 53 HD21 LEU 53 -12.771 6.625 5.486 334 HD22 LEU 53 HD22 LEU 53 -13.051 7.809 6.765 335 HD23 LEU 53 HD23 LEU 53 -11.801 6.561 6.963 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.794 11.721 4.644 369 HA VAL 58 HA VAL 58 -15.520 10.396 2.064 370 HB VAL 58 HB VAL 58 -17.276 8.825 3.197 371 HG11 VAL 58 HG11 VAL 58 -15.317 7.913 4.692 372 HG12 VAL 58 HG12 VAL 58 -14.370 9.215 3.970 373 HG13 VAL 58 HG13 VAL 58 -15.080 7.968 2.948 374 HG21 VAL 58 HG21 VAL 58 -16.144 10.152 5.669 375 HG22 VAL 58 HG22 VAL 58 -17.464 8.988 5.560 376 HG23 VAL 58 HG23 VAL 58 -17.699 10.642 4.993 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -24.890 15.957 4.411 395 HA HIS 62 HA HIS 62 -26.706 15.459 2.138 396 HB2 HIS 62 HB2 HIS 62 -26.011 13.292 1.871 397 HB3 HIS 62 HB3 HIS 62 -24.552 13.817 2.688 398 HD1 HIS 62 HD1 HIS 62 -27.819 12.022 3.334 399 HD2 HIS 62 HD2 HIS 62 -24.126 12.497 5.223 400 HE1 HIS 62 HE1 HIS 62 -27.677 10.210 5.065 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -31.053 12.913 6.352 409 HA HIS 64 HA HIS 64 -31.629 10.662 4.606 410 HB2 HIS 64 HB2 HIS 64 -31.411 9.279 7.038 411 HB3 HIS 64 HB3 HIS 64 -30.375 9.092 5.629 412 HD1 HIS 64 HD1 HIS 64 -30.414 12.186 7.771 413 HD2 HIS 64 HD2 HIS 64 -28.078 8.858 6.946 414 HE1 HIS 64 HE1 HIS 64 -28.209 12.540 8.930 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.857 10.703 12.867 436 HA GLU 68 HA GLU 68 -28.795 7.941 12.600 437 HB2 GLU 68 HB2 GLU 68 -28.462 9.105 10.433 438 HB3 GLU 68 HB3 GLU 68 -27.696 10.450 11.242 439 HG2 GLU 68 HG2 GLU 68 -26.143 8.358 12.125 440 HG3 GLU 68 HG3 GLU 68 -26.573 7.795 10.539 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.178 16.561 6.362 746 HA HIS 107 HA HIS 107 -24.274 18.044 8.046 747 HB2 HIS 107 HB2 HIS 107 -24.374 16.559 9.868 748 HB3 HIS 107 HB3 HIS 107 -26.063 16.513 9.355 749 HD1 HIS 107 HD1 HIS 107 -22.789 14.720 8.796 750 HD2 HIS 107 HD2 HIS 107 -26.842 14.012 8.213 751 HE1 HIS 107 HE1 HIS 107 -22.973 12.550 7.528 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.065 4.379 11.277 853 HA2 GLY 122 HA2 GLY 122 -23.490 6.634 12.582 854 HA3 GLY 122 HA3 GLY 122 -23.560 6.296 10.840 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -24.410 6.924 7.816 920 H2 TRP 202 H2 TRP 202 -23.392 5.752 8.505 921 H3 TRP 202 H3 TRP 202 -23.205 6.190 6.873 922 HA TRP 202 HA TRP 202 -22.338 7.541 9.272 923 HB2 TRP 202 HB2 TRP 202 -21.269 6.513 6.809 924 HB3 TRP 202 HB3 TRP 202 -20.920 8.223 6.850 925 HD1 TRP 202 HD1 TRP 202 -20.645 7.365 10.406 926 HE1 TRP 202 HE1 TRP 202 -18.256 6.732 11.046 927 HE3 TRP 202 HE3 TRP 202 -18.603 6.620 5.753 928 HZ2 TRP 202 HZ2 TRP 202 -15.793 6.011 9.800 929 HZ3 TRP 202 HZ3 TRP 202 -16.232 5.957 5.540 930 HH2 TRP 202 HH2 TRP 202 -14.824 5.658 7.549 Start of MODEL 6 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.817 3.828 0.227 159 HA ALA 29 HA ALA 29 -19.850 4.270 2.305 160 HB1 ALA 29 HB1 ALA 29 -22.008 4.289 3.746 161 HB2 ALA 29 HB2 ALA 29 -22.841 4.221 2.194 162 HB3 ALA 29 HB3 ALA 29 -21.775 5.574 2.559 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.691 2.622 9.969 286 HA ALA 46 HA ALA 46 -22.030 0.981 8.174 287 HB1 ALA 46 HB1 ALA 46 -22.099 2.645 6.435 288 HB2 ALA 46 HB2 ALA 46 -23.021 3.750 7.458 289 HB3 ALA 46 HB3 ALA 46 -23.771 2.268 6.854 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.662 3.528 10.241 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.410 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.529 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.820 5.089 11.600 303 HA LEU 50 HA LEU 50 -10.467 6.163 8.866 304 HB2 LEU 50 HB2 LEU 50 -10.815 8.458 10.148 305 HB3 LEU 50 HB3 LEU 50 -12.101 7.561 9.366 306 HG LEU 50 HG LEU 50 -12.310 6.327 11.679 307 HD11 LEU 50 HD11 LEU 50 -11.034 8.925 12.439 308 HD12 LEU 50 HD12 LEU 50 -10.230 7.368 12.445 309 HD13 LEU 50 HD13 LEU 50 -11.600 7.664 13.518 310 HD21 LEU 50 HD21 LEU 50 -13.610 8.501 12.514 311 HD22 LEU 50 HD22 LEU 50 -14.195 7.526 11.168 312 HD23 LEU 50 HD23 LEU 50 -13.300 9.013 10.860 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.398 7.838 7.727 326 HA LEU 53 HA LEU 53 -9.098 9.484 5.385 327 HB2 LEU 53 HB2 LEU 53 -10.462 8.230 7.682 328 HB3 LEU 53 HB3 LEU 53 -11.148 9.762 7.197 329 HG LEU 53 HG LEU 53 -11.880 8.970 5.135 330 HD11 LEU 53 HD11 LEU 53 -9.577 7.065 5.304 331 HD12 LEU 53 HD12 LEU 53 -10.131 8.048 3.946 332 HD13 LEU 53 HD13 LEU 53 -10.990 6.573 4.363 333 HD21 LEU 53 HD21 LEU 53 -11.845 6.604 7.017 334 HD22 LEU 53 HD22 LEU 53 -12.868 6.707 5.575 335 HD23 LEU 53 HD23 LEU 53 -13.098 7.850 6.902 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.787 11.774 4.677 369 HA VAL 58 HA VAL 58 -15.588 10.264 2.215 370 HB VAL 58 HB VAL 58 -17.605 9.037 3.514 371 HG11 VAL 58 HG11 VAL 58 -14.639 8.824 3.721 372 HG12 VAL 58 HG12 VAL 58 -15.855 7.570 3.459 373 HG13 VAL 58 HG13 VAL 58 -15.514 8.135 5.087 374 HG21 VAL 58 HG21 VAL 58 -17.705 9.451 5.815 375 HG22 VAL 58 HG22 VAL 58 -17.482 11.081 5.179 376 HG23 VAL 58 HG23 VAL 58 -16.107 10.201 5.861 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -25.056 16.043 4.408 395 HA HIS 62 HA HIS 62 -26.912 15.884 2.194 396 HB2 HIS 62 HB2 HIS 62 -26.592 13.692 1.546 397 HB3 HIS 62 HB3 HIS 62 -24.939 14.208 1.836 398 HD1 HIS 62 HD1 HIS 62 -26.695 11.336 2.229 399 HD2 HIS 62 HD2 HIS 62 -24.625 13.638 5.020 400 HE1 HIS 62 HE1 HIS 62 -26.051 9.770 4.108 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -31.042 12.914 6.366 409 HA HIS 64 HA HIS 64 -31.556 10.569 4.671 410 HB2 HIS 64 HB2 HIS 64 -31.249 9.628 7.436 411 HB3 HIS 64 HB3 HIS 64 -30.535 8.979 5.950 412 HD1 HIS 64 HD1 HIS 64 -30.097 11.663 8.497 413 HD2 HIS 64 HD2 HIS 64 -27.988 9.826 5.420 414 HE1 HIS 64 HE1 HIS 64 -27.820 12.694 8.494 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.807 10.652 12.955 436 HA GLU 68 HA GLU 68 -28.951 7.852 12.941 437 HB2 GLU 68 HB2 GLU 68 -27.140 8.155 11.370 438 HB3 GLU 68 HB3 GLU 68 -28.665 8.525 10.620 439 HG2 GLU 68 HG2 GLU 68 -28.223 10.942 10.928 440 HG3 GLU 68 HG3 GLU 68 -26.613 10.526 11.542 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.160 16.573 6.355 746 HA HIS 107 HA HIS 107 -24.265 18.071 8.036 747 HB2 HIS 107 HB2 HIS 107 -24.361 16.583 9.864 748 HB3 HIS 107 HB3 HIS 107 -26.053 16.520 9.346 749 HD1 HIS 107 HD1 HIS 107 -22.823 14.662 9.236 750 HD2 HIS 107 HD2 HIS 107 -26.629 14.235 7.622 751 HE1 HIS 107 HE1 HIS 107 -22.774 12.647 7.682 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.078 4.378 11.288 853 HA2 GLY 122 HA2 GLY 122 -23.490 6.625 12.620 854 HA3 GLY 122 HA3 GLY 122 -23.559 6.320 10.878 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -23.850 5.595 7.704 920 H2 TRP 202 H2 TRP 202 -24.551 6.235 9.113 921 H3 TRP 202 H3 TRP 202 -22.918 5.767 9.111 922 HA TRP 202 HA TRP 202 -23.069 8.156 8.977 923 HB2 TRP 202 HB2 TRP 202 -22.193 6.685 6.479 924 HB3 TRP 202 HB3 TRP 202 -21.911 8.402 6.691 925 HD1 TRP 202 HD1 TRP 202 -21.536 7.189 10.058 926 HE1 TRP 202 HE1 TRP 202 -19.120 6.648 10.659 927 HE3 TRP 202 HE3 TRP 202 -19.366 7.017 5.349 928 HZ2 TRP 202 HZ2 TRP 202 -16.633 6.169 9.401 929 HZ3 TRP 202 HZ3 TRP 202 -17.000 6.460 5.145 930 HH2 TRP 202 HH2 TRP 202 -15.609 6.058 7.150 Start of MODEL 7 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.828 0.227 159 HA ALA 29 HA ALA 29 -19.850 4.271 2.305 160 HB1 ALA 29 HB1 ALA 29 -22.014 4.288 3.741 161 HB2 ALA 29 HB2 ALA 29 -22.840 4.223 2.186 162 HB3 ALA 29 HB3 ALA 29 -21.774 5.575 2.557 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.660 2.608 9.980 286 HA ALA 46 HA ALA 46 -21.999 0.922 8.238 287 HB1 ALA 46 HB1 ALA 46 -23.206 3.576 7.425 288 HB2 ALA 46 HB2 ALA 46 -23.610 2.004 6.735 289 HB3 ALA 46 HB3 ALA 46 -21.999 2.682 6.500 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.662 3.528 10.240 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.410 295 HA3 GLY 48 HA3 GLY 48 -14.997 2.528 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.822 5.030 11.639 303 HA LEU 50 HA LEU 50 -10.632 6.361 9.017 304 HB2 LEU 50 HB2 LEU 50 -10.538 8.111 11.369 305 HB3 LEU 50 HB3 LEU 50 -11.336 8.326 9.812 306 HG LEU 50 HG LEU 50 -12.761 6.196 10.733 307 HD11 LEU 50 HD11 LEU 50 -12.174 7.813 13.198 308 HD12 LEU 50 HD12 LEU 50 -11.294 6.350 12.788 309 HD13 LEU 50 HD13 LEU 50 -13.019 6.285 13.058 310 HD21 LEU 50 HD21 LEU 50 -13.603 8.455 10.004 311 HD22 LEU 50 HD22 LEU 50 -13.398 8.978 11.681 312 HD23 LEU 50 HD23 LEU 50 -14.465 7.641 11.286 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.393 7.849 7.727 326 HA LEU 53 HA LEU 53 -9.057 9.493 5.371 327 HB2 LEU 53 HB2 LEU 53 -10.477 8.261 7.652 328 HB3 LEU 53 HB3 LEU 53 -11.167 9.760 7.069 329 HG LEU 53 HG LEU 53 -11.762 8.864 4.998 330 HD11 LEU 53 HD11 LEU 53 -9.492 6.945 5.426 331 HD12 LEU 53 HD12 LEU 53 -9.892 7.903 4.000 332 HD13 LEU 53 HD13 LEU 53 -10.823 6.462 4.376 333 HD21 LEU 53 HD21 LEU 53 -11.816 6.574 6.974 334 HD22 LEU 53 HD22 LEU 53 -12.788 6.645 5.496 335 HD23 LEU 53 HD23 LEU 53 -13.055 7.824 6.782 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.802 11.729 4.647 369 HA VAL 58 HA VAL 58 -15.532 10.388 2.078 370 HB VAL 58 HB VAL 58 -17.306 8.839 3.216 371 HG11 VAL 58 HG11 VAL 58 -15.149 7.932 2.978 372 HG12 VAL 58 HG12 VAL 58 -15.335 7.944 4.727 373 HG13 VAL 58 HG13 VAL 58 -14.391 9.203 3.935 374 HG21 VAL 58 HG21 VAL 58 -17.530 9.025 5.564 375 HG22 VAL 58 HG22 VAL 58 -17.684 10.692 5.009 376 HG23 VAL 58 HG23 VAL 58 -16.159 10.127 5.701 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -24.995 16.016 4.413 395 HA HIS 62 HA HIS 62 -26.849 15.765 2.192 396 HB2 HIS 62 HB2 HIS 62 -26.405 13.589 1.616 397 HB3 HIS 62 HB3 HIS 62 -24.794 14.166 1.975 398 HD1 HIS 62 HD1 HIS 62 -26.593 11.320 2.262 399 HD2 HIS 62 HD2 HIS 62 -24.375 13.385 5.133 400 HE1 HIS 62 HE1 HIS 62 -25.835 9.609 3.931 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -30.984 12.970 6.391 409 HA HIS 64 HA HIS 64 -31.388 10.416 4.916 410 HB2 HIS 64 HB2 HIS 64 -31.100 10.388 7.931 411 HB3 HIS 64 HB3 HIS 64 -30.795 9.091 6.758 412 HD1 HIS 64 HD1 HIS 64 -29.603 12.626 7.146 413 HD2 HIS 64 HD2 HIS 64 -28.080 8.830 6.428 414 HE1 HIS 64 HE1 HIS 64 -27.266 12.950 6.308 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.883 10.718 12.848 436 HA GLU 68 HA GLU 68 -28.762 7.985 12.511 437 HB2 GLU 68 HB2 GLU 68 -28.365 8.964 10.429 438 HB3 GLU 68 HB3 GLU 68 -28.278 10.580 11.073 439 HG2 GLU 68 HG2 GLU 68 -25.998 9.960 12.046 440 HG3 GLU 68 HG3 GLU 68 -26.110 8.455 11.139 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.270 16.516 6.399 746 HA HIS 107 HA HIS 107 -24.359 17.870 8.201 747 HB2 HIS 107 HB2 HIS 107 -24.589 16.270 9.877 748 HB3 HIS 107 HB3 HIS 107 -26.211 16.131 9.197 749 HD1 HIS 107 HD1 HIS 107 -22.764 14.674 8.474 750 HD2 HIS 107 HD2 HIS 107 -26.721 13.384 8.391 751 HE1 HIS 107 HE1 HIS 107 -22.756 12.404 7.375 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.062 4.402 11.260 853 HA2 GLY 122 HA2 GLY 122 -23.488 6.648 12.573 854 HA3 GLY 122 HA3 GLY 122 -23.560 6.305 10.832 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -23.253 7.547 9.412 920 H2 TRP 202 H2 TRP 202 -22.754 6.110 8.657 921 H3 TRP 202 H3 TRP 202 -24.005 7.039 7.980 922 HA TRP 202 HA TRP 202 -21.532 8.453 8.363 923 HB2 TRP 202 HB2 TRP 202 -21.654 5.887 6.897 924 HB3 TRP 202 HB3 TRP 202 -20.934 7.203 5.994 925 HD1 TRP 202 HD1 TRP 202 -20.546 6.927 9.794 926 HE1 TRP 202 HE1 TRP 202 -18.059 6.549 10.341 927 HE3 TRP 202 HE3 TRP 202 -18.673 6.272 5.073 928 HZ2 TRP 202 HZ2 TRP 202 -15.607 6.026 8.973 929 HZ3 TRP 202 HZ3 TRP 202 -16.269 5.817 4.737 930 HH2 TRP 202 HH2 TRP 202 -14.730 5.699 6.676 Start of MODEL 8 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.828 0.227 159 HA ALA 29 HA ALA 29 -19.851 4.271 2.306 160 HB1 ALA 29 HB1 ALA 29 -22.016 4.287 3.741 161 HB2 ALA 29 HB2 ALA 29 -22.841 4.222 2.184 162 HB3 ALA 29 HB3 ALA 29 -21.776 5.573 2.559 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.664 2.610 9.978 286 HA ALA 46 HA ALA 46 -22.002 0.927 8.233 287 HB1 ALA 46 HB1 ALA 46 -23.814 2.235 6.927 288 HB2 ALA 46 HB2 ALA 46 -22.145 2.383 6.382 289 HB3 ALA 46 HB3 ALA 46 -22.873 3.670 7.343 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.663 3.527 10.242 294 HA2 GLY 48 HA2 GLY 48 -15.233 1.271 9.413 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.526 8.208 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.821 5.019 11.636 303 HA LEU 50 HA LEU 50 -10.628 6.361 9.019 304 HB2 LEU 50 HB2 LEU 50 -10.502 8.136 11.333 305 HB3 LEU 50 HB3 LEU 50 -11.363 8.303 9.807 306 HG LEU 50 HG LEU 50 -12.754 6.213 10.825 307 HD11 LEU 50 HD11 LEU 50 -12.865 6.269 13.169 308 HD12 LEU 50 HD12 LEU 50 -12.032 7.810 13.268 309 HD13 LEU 50 HD13 LEU 50 -11.160 6.366 12.796 310 HD21 LEU 50 HD21 LEU 50 -13.326 8.978 11.861 311 HD22 LEU 50 HD22 LEU 50 -14.409 7.671 11.411 312 HD23 LEU 50 HD23 LEU 50 -13.556 8.533 10.164 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.391 7.852 7.728 326 HA LEU 53 HA LEU 53 -9.045 9.498 5.370 327 HB2 LEU 53 HB2 LEU 53 -10.485 8.262 7.640 328 HB3 LEU 53 HB3 LEU 53 -11.171 9.757 7.044 329 HG LEU 53 HG LEU 53 -11.748 8.851 4.971 330 HD11 LEU 53 HD11 LEU 53 -9.475 6.941 5.421 331 HD12 LEU 53 HD12 LEU 53 -9.852 7.908 3.996 332 HD13 LEU 53 HD13 LEU 53 -10.787 6.465 4.346 333 HD21 LEU 53 HD21 LEU 53 -13.041 7.795 6.751 334 HD22 LEU 53 HD22 LEU 53 -11.793 6.551 6.934 335 HD23 LEU 53 HD23 LEU 53 -12.760 6.627 5.456 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.799 11.734 4.646 369 HA VAL 58 HA VAL 58 -15.529 10.390 2.080 370 HB VAL 58 HB VAL 58 -17.295 8.843 3.245 371 HG11 VAL 58 HG11 VAL 58 -15.220 7.806 3.087 372 HG12 VAL 58 HG12 VAL 58 -15.192 8.099 4.823 373 HG13 VAL 58 HG13 VAL 58 -14.349 9.194 3.735 374 HG21 VAL 58 HG21 VAL 58 -17.532 9.068 5.577 375 HG22 VAL 58 HG22 VAL 58 -17.623 10.742 5.027 376 HG23 VAL 58 HG23 VAL 58 -16.124 10.117 5.722 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -24.952 15.979 4.413 395 HA HIS 62 HA HIS 62 -26.789 15.602 2.148 396 HB2 HIS 62 HB2 HIS 62 -26.220 13.427 1.728 397 HB3 HIS 62 HB3 HIS 62 -24.683 13.876 2.445 398 HD1 HIS 62 HD1 HIS 62 -27.759 11.841 3.016 399 HD2 HIS 62 HD2 HIS 62 -24.260 12.726 5.124 400 HE1 HIS 62 HE1 HIS 62 -27.537 10.065 4.798 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -31.073 12.911 6.339 409 HA HIS 64 HA HIS 64 -31.672 10.713 4.561 410 HB2 HIS 64 HB2 HIS 64 -31.376 9.246 6.941 411 HB3 HIS 64 HB3 HIS 64 -30.418 9.088 5.470 412 HD1 HIS 64 HD1 HIS 64 -30.297 12.119 7.686 413 HD2 HIS 64 HD2 HIS 64 -28.065 8.753 6.716 414 HE1 HIS 64 HE1 HIS 64 -28.075 12.354 8.850 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.835 10.696 12.855 436 HA GLU 68 HA GLU 68 -28.795 7.918 12.633 437 HB2 GLU 68 HB2 GLU 68 -28.408 8.979 10.451 438 HB3 GLU 68 HB3 GLU 68 -27.696 10.382 11.218 439 HG2 GLU 68 HG2 GLU 68 -25.828 9.014 12.079 440 HG3 GLU 68 HG3 GLU 68 -26.560 7.573 11.386 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.197 16.552 6.366 746 HA HIS 107 HA HIS 107 -24.287 17.998 8.079 747 HB2 HIS 107 HB2 HIS 107 -24.378 16.479 9.853 748 HB3 HIS 107 HB3 HIS 107 -26.066 16.395 9.329 749 HD1 HIS 107 HD1 HIS 107 -22.739 14.682 8.689 750 HD2 HIS 107 HD2 HIS 107 -26.783 13.843 8.198 751 HE1 HIS 107 HE1 HIS 107 -22.884 12.471 7.476 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.068 4.398 11.261 853 HA2 GLY 122 HA2 GLY 122 -23.495 6.648 12.572 854 HA3 GLY 122 HA3 GLY 122 -23.568 6.306 10.830 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -23.772 6.656 7.717 920 H2 TRP 202 H2 TRP 202 -23.505 7.432 9.206 921 H3 TRP 202 H3 TRP 202 -22.477 6.176 8.699 922 HA TRP 202 HA TRP 202 -21.626 8.519 8.450 923 HB2 TRP 202 HB2 TRP 202 -21.620 6.351 6.406 924 HB3 TRP 202 HB3 TRP 202 -20.889 7.884 6.003 925 HD1 TRP 202 HD1 TRP 202 -20.525 6.923 9.624 926 HE1 TRP 202 HE1 TRP 202 -18.064 6.298 10.058 927 HE3 TRP 202 HE3 TRP 202 -18.802 6.688 4.816 928 HZ2 TRP 202 HZ2 TRP 202 -15.680 5.751 8.568 929 HZ3 TRP 202 HZ3 TRP 202 -16.442 6.106 4.354 930 HH2 TRP 202 HH2 TRP 202 -14.878 5.636 6.220 Start of MODEL 9 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.828 0.227 159 HA ALA 29 HA ALA 29 -19.850 4.271 2.305 160 HB1 ALA 29 HB1 ALA 29 -22.014 4.288 3.742 161 HB2 ALA 29 HB2 ALA 29 -22.840 4.223 2.186 162 HB3 ALA 29 HB3 ALA 29 -21.775 5.574 2.557 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.690 2.621 9.971 286 HA ALA 46 HA ALA 46 -22.028 0.977 8.180 287 HB1 ALA 46 HB1 ALA 46 -23.845 2.363 6.948 288 HB2 ALA 46 HB2 ALA 46 -22.181 2.499 6.384 289 HB3 ALA 46 HB3 ALA 46 -22.873 3.768 7.399 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.662 3.528 10.240 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.410 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.529 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.823 5.028 11.641 303 HA LEU 50 HA LEU 50 -10.635 6.363 9.021 304 HB2 LEU 50 HB2 LEU 50 -10.534 8.110 11.374 305 HB3 LEU 50 HB3 LEU 50 -11.335 8.327 9.821 306 HG LEU 50 HG LEU 50 -12.760 6.197 10.744 307 HD11 LEU 50 HD11 LEU 50 -12.164 7.814 13.206 308 HD12 LEU 50 HD12 LEU 50 -11.287 6.350 12.794 309 HD13 LEU 50 HD13 LEU 50 -13.012 6.287 13.071 310 HD21 LEU 50 HD21 LEU 50 -14.464 7.640 11.285 311 HD22 LEU 50 HD22 LEU 50 -13.592 8.465 10.016 312 HD23 LEU 50 HD23 LEU 50 -13.404 8.973 11.702 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.401 7.846 7.726 326 HA LEU 53 HA LEU 53 -9.075 9.493 5.375 327 HB2 LEU 53 HB2 LEU 53 -10.473 8.251 7.657 328 HB3 LEU 53 HB3 LEU 53 -11.156 9.772 7.136 329 HG LEU 53 HG LEU 53 -11.831 8.946 5.066 330 HD11 LEU 53 HD11 LEU 53 -9.534 7.044 5.332 331 HD12 LEU 53 HD12 LEU 53 -10.046 8.006 3.944 332 HD13 LEU 53 HD13 LEU 53 -10.919 6.539 4.360 333 HD21 LEU 53 HD21 LEU 53 -12.830 6.691 5.524 334 HD22 LEU 53 HD22 LEU 53 -13.094 7.858 6.823 335 HD23 LEU 53 HD23 LEU 53 -11.840 6.612 6.989 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.785 11.763 4.671 369 HA VAL 58 HA VAL 58 -15.569 10.293 2.183 370 HB VAL 58 HB VAL 58 -17.516 8.975 3.454 371 HG11 VAL 58 HG11 VAL 58 -14.544 8.925 3.723 372 HG12 VAL 58 HG12 VAL 58 -15.676 7.606 3.414 373 HG13 VAL 58 HG13 VAL 58 -15.408 8.164 5.059 374 HG21 VAL 58 HG21 VAL 58 -17.644 9.347 5.771 375 HG22 VAL 58 HG22 VAL 58 -17.557 10.989 5.134 376 HG23 VAL 58 HG23 VAL 58 -16.115 10.227 5.819 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -24.953 15.980 4.410 395 HA HIS 62 HA HIS 62 -26.785 15.606 2.142 396 HB2 HIS 62 HB2 HIS 62 -26.197 13.432 1.720 397 HB3 HIS 62 HB3 HIS 62 -24.667 13.899 2.441 398 HD1 HIS 62 HD1 HIS 62 -27.752 11.872 3.057 399 HD2 HIS 62 HD2 HIS 62 -24.207 12.751 5.080 400 HE1 HIS 62 HE1 HIS 62 -27.503 10.111 4.848 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -31.052 12.901 6.355 409 HA HIS 64 HA HIS 64 -31.633 10.673 4.589 410 HB2 HIS 64 HB2 HIS 64 -31.361 9.278 7.028 411 HB3 HIS 64 HB3 HIS 64 -30.397 9.067 5.571 412 HD1 HIS 64 HD1 HIS 64 -30.317 12.115 7.786 413 HD2 HIS 64 HD2 HIS 64 -27.991 8.832 6.744 414 HE1 HIS 64 HE1 HIS 64 -28.077 12.430 8.887 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.900 10.761 12.815 436 HA GLU 68 HA GLU 68 -28.614 8.105 12.322 437 HB2 GLU 68 HB2 GLU 68 -28.445 10.449 10.796 438 HB3 GLU 68 HB3 GLU 68 -27.051 10.602 11.827 439 HG2 GLU 68 HG2 GLU 68 -26.907 7.967 10.847 440 HG3 GLU 68 HG3 GLU 68 -27.366 8.984 9.508 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.186 16.558 6.370 746 HA HIS 107 HA HIS 107 -24.286 18.034 8.062 747 HB2 HIS 107 HB2 HIS 107 -24.408 16.546 9.879 748 HB3 HIS 107 HB3 HIS 107 -26.093 16.492 9.346 749 HD1 HIS 107 HD1 HIS 107 -22.805 14.725 8.875 750 HD2 HIS 107 HD2 HIS 107 -26.829 13.983 8.109 751 HE1 HIS 107 HE1 HIS 107 -22.915 12.592 7.530 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.073 4.381 11.282 853 HA2 GLY 122 HA2 GLY 122 -23.490 6.633 12.600 854 HA3 GLY 122 HA3 GLY 122 -23.561 6.310 10.858 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -23.576 5.435 7.640 920 H2 TRP 202 H2 TRP 202 -24.133 5.908 9.175 921 H3 TRP 202 H3 TRP 202 -22.502 5.487 8.951 922 HA TRP 202 HA TRP 202 -22.826 7.897 9.101 923 HB2 TRP 202 HB2 TRP 202 -21.858 6.681 6.505 924 HB3 TRP 202 HB3 TRP 202 -21.671 8.386 6.856 925 HD1 TRP 202 HD1 TRP 202 -21.147 7.156 10.147 926 HE1 TRP 202 HE1 TRP 202 -18.708 6.615 10.663 927 HE3 TRP 202 HE3 TRP 202 -19.175 6.947 5.372 928 HZ2 TRP 202 HZ2 TRP 202 -16.267 6.130 9.309 929 HZ3 TRP 202 HZ3 TRP 202 -16.808 6.399 5.065 930 HH2 TRP 202 HH2 TRP 202 -15.335 6.009 7.017 Start of MODEL 10 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.828 0.228 159 HA ALA 29 HA ALA 29 -19.848 4.270 2.304 160 HB1 ALA 29 HB1 ALA 29 -22.008 4.292 3.743 161 HB2 ALA 29 HB2 ALA 29 -22.839 4.224 2.190 162 HB3 ALA 29 HB3 ALA 29 -21.772 5.576 2.555 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.671 2.614 9.975 286 HA ALA 46 HA ALA 46 -22.009 0.942 8.216 287 HB1 ALA 46 HB1 ALA 46 -23.815 2.267 6.924 288 HB2 ALA 46 HB2 ALA 46 -22.144 2.429 6.385 289 HB3 ALA 46 HB3 ALA 46 -22.881 3.700 7.362 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.663 3.528 10.241 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.411 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.529 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.824 5.029 11.641 303 HA LEU 50 HA LEU 50 -10.638 6.367 9.022 304 HB2 LEU 50 HB2 LEU 50 -10.532 8.106 11.383 305 HB3 LEU 50 HB3 LEU 50 -11.330 8.333 9.828 306 HG LEU 50 HG LEU 50 -12.760 6.200 10.741 307 HD11 LEU 50 HD11 LEU 50 -13.018 6.286 13.066 308 HD12 LEU 50 HD12 LEU 50 -12.172 7.812 13.208 309 HD13 LEU 50 HD13 LEU 50 -11.293 6.347 12.795 310 HD21 LEU 50 HD21 LEU 50 -13.400 8.977 11.700 311 HD22 LEU 50 HD22 LEU 50 -14.464 7.641 11.286 312 HD23 LEU 50 HD23 LEU 50 -13.592 8.466 10.017 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.391 7.851 7.729 326 HA LEU 53 HA LEU 53 -9.054 9.495 5.371 327 HB2 LEU 53 HB2 LEU 53 -10.481 8.269 7.654 328 HB3 LEU 53 HB3 LEU 53 -11.170 9.761 7.053 329 HG LEU 53 HG LEU 53 -11.749 8.847 4.985 330 HD11 LEU 53 HD11 LEU 53 -9.487 6.923 5.447 331 HD12 LEU 53 HD12 LEU 53 -9.858 7.886 4.017 332 HD13 LEU 53 HD13 LEU 53 -10.804 6.451 4.375 333 HD21 LEU 53 HD21 LEU 53 -13.056 7.817 6.761 334 HD22 LEU 53 HD22 LEU 53 -11.812 6.574 6.980 335 HD23 LEU 53 HD23 LEU 53 -12.766 6.623 5.491 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.801 11.731 4.644 369 HA VAL 58 HA VAL 58 -15.528 10.397 2.073 370 HB VAL 58 HB VAL 58 -17.278 8.833 3.217 371 HG11 VAL 58 HG11 VAL 58 -15.264 8.006 4.755 372 HG12 VAL 58 HG12 VAL 58 -14.358 9.238 3.885 373 HG13 VAL 58 HG13 VAL 58 -15.127 7.921 3.002 374 HG21 VAL 58 HG21 VAL 58 -17.506 9.030 5.566 375 HG22 VAL 58 HG22 VAL 58 -17.675 10.693 5.004 376 HG23 VAL 58 HG23 VAL 58 -16.145 10.144 5.698 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -25.014 16.014 4.407 395 HA HIS 62 HA HIS 62 -26.869 15.786 2.179 396 HB2 HIS 62 HB2 HIS 62 -26.470 13.600 1.590 397 HB3 HIS 62 HB3 HIS 62 -24.838 14.103 1.992 398 HD1 HIS 62 HD1 HIS 62 -26.698 11.266 2.304 399 HD2 HIS 62 HD2 HIS 62 -24.690 13.512 5.190 400 HE1 HIS 62 HE1 HIS 62 -26.150 9.672 4.193 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -31.058 12.907 6.359 409 HA HIS 64 HA HIS 64 -31.603 10.615 4.628 410 HB2 HIS 64 HB2 HIS 64 -31.334 9.466 7.277 411 HB3 HIS 64 HB3 HIS 64 -30.522 8.986 5.779 412 HD1 HIS 64 HD1 HIS 64 -30.147 11.064 8.814 413 HD2 HIS 64 HD2 HIS 64 -28.124 10.219 5.300 414 HE1 HIS 64 HE1 HIS 64 -27.905 12.185 8.993 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.931 10.763 12.869 436 HA GLU 68 HA GLU 68 -28.639 8.128 12.366 437 HB2 GLU 68 HB2 GLU 68 -28.398 10.708 11.085 438 HB3 GLU 68 HB3 GLU 68 -26.876 10.399 11.909 439 HG2 GLU 68 HG2 GLU 68 -27.230 8.029 10.695 440 HG3 GLU 68 HG3 GLU 68 -28.064 9.122 9.574 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.180 16.556 6.369 746 HA HIS 107 HA HIS 107 -24.272 18.031 8.062 747 HB2 HIS 107 HB2 HIS 107 -24.338 16.522 9.862 748 HB3 HIS 107 HB3 HIS 107 -26.032 16.436 9.361 749 HD1 HIS 107 HD1 HIS 107 -22.717 14.653 8.940 750 HD2 HIS 107 HD2 HIS 107 -26.726 13.964 8.028 751 HE1 HIS 107 HE1 HIS 107 -22.812 12.541 7.512 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.066 4.390 11.270 853 HA2 GLY 122 HA2 GLY 122 -23.489 6.643 12.577 854 HA3 GLY 122 HA3 GLY 122 -23.559 6.301 10.836 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -23.671 6.227 7.454 920 H2 TRP 202 H2 TRP 202 -24.325 7.305 8.593 921 H3 TRP 202 H3 TRP 202 -22.956 6.379 8.984 922 HA TRP 202 HA TRP 202 -22.229 8.562 8.512 923 HB2 TRP 202 HB2 TRP 202 -21.663 6.427 6.506 924 HB3 TRP 202 HB3 TRP 202 -20.993 8.022 6.243 925 HD1 TRP 202 HD1 TRP 202 -21.166 7.217 9.901 926 HE1 TRP 202 HE1 TRP 202 -18.812 6.651 10.756 927 HE3 TRP 202 HE3 TRP 202 -18.689 6.698 5.449 928 HZ2 TRP 202 HZ2 TRP 202 -16.225 6.028 9.705 929 HZ3 TRP 202 HZ3 TRP 202 -16.296 6.088 5.420 930 HH2 TRP 202 HH2 TRP 202 -15.055 5.765 7.538 Start of MODEL 11 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.828 0.227 159 HA ALA 29 HA ALA 29 -19.850 4.271 2.306 160 HB1 ALA 29 HB1 ALA 29 -22.019 4.282 3.741 161 HB2 ALA 29 HB2 ALA 29 -22.840 4.228 2.183 162 HB3 ALA 29 HB3 ALA 29 -21.772 5.574 2.565 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.655 2.606 9.985 286 HA ALA 46 HA ALA 46 -21.994 0.917 8.245 287 HB1 ALA 46 HB1 ALA 46 -22.054 2.494 6.433 288 HB2 ALA 46 HB2 ALA 46 -23.010 3.631 7.389 289 HB3 ALA 46 HB3 ALA 46 -23.726 2.117 6.847 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.663 3.528 10.240 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.410 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.529 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.834 5.087 11.597 303 HA LEU 50 HA LEU 50 -10.480 6.160 8.861 304 HB2 LEU 50 HB2 LEU 50 -10.837 8.452 10.146 305 HB3 LEU 50 HB3 LEU 50 -12.122 7.546 9.367 306 HG LEU 50 HG LEU 50 -12.322 6.310 11.677 307 HD11 LEU 50 HD11 LEU 50 -11.603 7.656 13.518 308 HD12 LEU 50 HD12 LEU 50 -11.038 8.913 12.432 309 HD13 LEU 50 HD13 LEU 50 -10.239 7.346 12.446 310 HD21 LEU 50 HD21 LEU 50 -13.629 8.456 12.524 311 HD22 LEU 50 HD22 LEU 50 -14.201 7.525 11.144 312 HD23 LEU 50 HD23 LEU 50 -13.298 9.019 10.892 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.397 7.847 7.726 326 HA LEU 53 HA LEU 53 -9.061 9.493 5.371 327 HB2 LEU 53 HB2 LEU 53 -10.481 8.256 7.651 328 HB3 LEU 53 HB3 LEU 53 -11.167 9.765 7.084 329 HG LEU 53 HG LEU 53 -11.778 8.896 5.007 330 HD11 LEU 53 HD11 LEU 53 -9.490 6.997 5.382 331 HD12 LEU 53 HD12 LEU 53 -9.941 7.939 3.964 332 HD13 LEU 53 HD13 LEU 53 -10.833 6.482 4.367 333 HD21 LEU 53 HD21 LEU 53 -13.077 7.840 6.761 334 HD22 LEU 53 HD22 LEU 53 -11.827 6.596 6.969 335 HD23 LEU 53 HD23 LEU 53 -12.785 6.651 5.484 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.790 11.738 4.657 369 HA VAL 58 HA VAL 58 -15.536 10.356 2.115 370 HB VAL 58 HB VAL 58 -17.340 8.862 3.304 371 HG11 VAL 58 HG11 VAL 58 -14.417 9.202 3.998 372 HG12 VAL 58 HG12 VAL 58 -15.197 7.920 3.071 373 HG13 VAL 58 HG13 VAL 58 -15.375 7.973 4.820 374 HG21 VAL 58 HG21 VAL 58 -17.587 9.139 5.626 375 HG22 VAL 58 HG22 VAL 58 -17.634 10.806 5.046 376 HG23 VAL 58 HG23 VAL 58 -16.153 10.160 5.760 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -24.965 15.984 4.409 395 HA HIS 62 HA HIS 62 -26.795 15.634 2.143 396 HB2 HIS 62 HB2 HIS 62 -26.185 13.479 1.673 397 HB3 HIS 62 HB3 HIS 62 -24.662 13.948 2.403 398 HD1 HIS 62 HD1 HIS 62 -27.624 11.758 2.875 399 HD2 HIS 62 HD2 HIS 62 -24.267 12.853 5.108 400 HE1 HIS 62 HE1 HIS 62 -27.343 9.986 4.650 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -31.059 12.898 6.353 409 HA HIS 64 HA HIS 64 -31.651 10.692 4.573 410 HB2 HIS 64 HB2 HIS 64 -31.368 9.267 6.998 411 HB3 HIS 64 HB3 HIS 64 -30.440 9.055 5.518 412 HD1 HIS 64 HD1 HIS 64 -30.304 11.975 7.932 413 HD2 HIS 64 HD2 HIS 64 -27.992 8.833 6.499 414 HE1 HIS 64 HE1 HIS 64 -28.002 12.245 8.930 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.853 10.692 12.878 436 HA GLU 68 HA GLU 68 -28.799 7.929 12.625 437 HB2 GLU 68 HB2 GLU 68 -28.398 8.877 10.482 438 HB3 GLU 68 HB3 GLU 68 -27.961 10.438 11.141 439 HG2 GLU 68 HG2 GLU 68 -25.863 9.547 12.026 440 HG3 GLU 68 HG3 GLU 68 -26.350 7.911 11.625 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.000 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.206 16.549 6.372 746 HA HIS 107 HA HIS 107 -24.301 17.993 8.093 747 HB2 HIS 107 HB2 HIS 107 -24.447 16.481 9.871 748 HB3 HIS 107 HB3 HIS 107 -26.118 16.396 9.300 749 HD1 HIS 107 HD1 HIS 107 -22.775 14.692 8.765 750 HD2 HIS 107 HD2 HIS 107 -26.805 13.836 8.159 751 HE1 HIS 107 HE1 HIS 107 -22.877 12.522 7.475 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.068 4.390 11.276 853 HA2 GLY 122 HA2 GLY 122 -23.488 6.634 12.600 854 HA3 GLY 122 HA3 GLY 122 -23.561 6.307 10.853 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -23.898 6.915 7.789 920 H2 TRP 202 H2 TRP 202 -23.368 7.465 9.306 921 H3 TRP 202 H3 TRP 202 -22.605 6.144 8.565 922 HA TRP 202 HA TRP 202 -21.542 8.492 8.460 923 HB2 TRP 202 HB2 TRP 202 -21.675 6.241 6.537 924 HB3 TRP 202 HB3 TRP 202 -20.939 7.717 5.964 925 HD1 TRP 202 HD1 TRP 202 -20.413 6.941 9.632 926 HE1 TRP 202 HE1 TRP 202 -17.946 6.304 9.979 927 HE3 TRP 202 HE3 TRP 202 -18.880 6.501 4.765 928 HZ2 TRP 202 HZ2 TRP 202 -15.640 5.664 8.429 929 HZ3 TRP 202 HZ3 TRP 202 -16.555 5.859 4.241 930 HH2 TRP 202 HH2 TRP 202 -14.927 5.440 6.062 Start of MODEL 12 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.828 0.227 159 HA ALA 29 HA ALA 29 -19.849 4.271 2.305 160 HB1 ALA 29 HB1 ALA 29 -22.012 4.290 3.742 161 HB2 ALA 29 HB2 ALA 29 -22.840 4.223 2.188 162 HB3 ALA 29 HB3 ALA 29 -21.774 5.575 2.557 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.660 2.608 9.981 286 HA ALA 46 HA ALA 46 -22.000 0.923 8.237 287 HB1 ALA 46 HB1 ALA 46 -22.030 2.593 6.462 288 HB2 ALA 46 HB2 ALA 46 -23.109 3.615 7.412 289 HB3 ALA 46 HB3 ALA 46 -23.680 2.065 6.793 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.662 3.528 10.241 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.410 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.529 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.825 5.025 11.647 303 HA LEU 50 HA LEU 50 -10.641 6.374 9.037 304 HB2 LEU 50 HB2 LEU 50 -10.521 8.094 11.410 305 HB3 LEU 50 HB3 LEU 50 -11.317 8.342 9.858 306 HG LEU 50 HG LEU 50 -12.755 6.204 10.754 307 HD11 LEU 50 HD11 LEU 50 -13.017 6.284 13.077 308 HD12 LEU 50 HD12 LEU 50 -12.166 7.804 13.227 309 HD13 LEU 50 HD13 LEU 50 -11.294 6.338 12.810 310 HD21 LEU 50 HD21 LEU 50 -13.577 8.480 10.041 311 HD22 LEU 50 HD22 LEU 50 -13.394 8.974 11.729 312 HD23 LEU 50 HD23 LEU 50 -14.457 7.644 11.296 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.388 7.846 7.732 326 HA LEU 53 HA LEU 53 -9.084 9.484 5.382 327 HB2 LEU 53 HB2 LEU 53 -10.462 8.278 7.704 328 HB3 LEU 53 HB3 LEU 53 -11.165 9.764 7.107 329 HG LEU 53 HG LEU 53 -11.768 8.834 5.050 330 HD11 LEU 53 HD11 LEU 53 -10.865 6.411 4.486 331 HD12 LEU 53 HD12 LEU 53 -9.532 6.887 5.535 332 HD13 LEU 53 HD13 LEU 53 -9.900 7.825 4.088 333 HD21 LEU 53 HD21 LEU 53 -11.834 6.573 7.056 334 HD22 LEU 53 HD22 LEU 53 -12.857 6.681 5.617 335 HD23 LEU 53 HD23 LEU 53 -13.034 7.864 6.916 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.799 11.731 4.648 369 HA VAL 58 HA VAL 58 -15.531 10.384 2.082 370 HB VAL 58 HB VAL 58 -17.308 8.842 3.226 371 HG11 VAL 58 HG11 VAL 58 -14.387 9.199 3.918 372 HG12 VAL 58 HG12 VAL 58 -15.165 7.909 3.003 373 HG13 VAL 58 HG13 VAL 58 -15.325 7.963 4.754 374 HG21 VAL 58 HG21 VAL 58 -16.162 10.083 5.731 375 HG22 VAL 58 HG22 VAL 58 -17.588 9.060 5.551 376 HG23 VAL 58 HG23 VAL 58 -17.640 10.740 5.019 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -24.990 16.013 4.413 395 HA HIS 62 HA HIS 62 -26.843 15.755 2.191 396 HB2 HIS 62 HB2 HIS 62 -26.390 13.580 1.620 397 HB3 HIS 62 HB3 HIS 62 -24.782 14.160 1.987 398 HD1 HIS 62 HD1 HIS 62 -26.599 11.319 2.274 399 HD2 HIS 62 HD2 HIS 62 -24.356 13.368 5.136 400 HE1 HIS 62 HE1 HIS 62 -25.844 9.602 3.937 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -30.983 12.968 6.392 409 HA HIS 64 HA HIS 64 -31.388 10.418 4.913 410 HB2 HIS 64 HB2 HIS 64 -31.093 10.383 7.927 411 HB3 HIS 64 HB3 HIS 64 -30.796 9.087 6.751 412 HD1 HIS 64 HD1 HIS 64 -29.590 12.619 7.118 413 HD2 HIS 64 HD2 HIS 64 -28.076 8.812 6.439 414 HE1 HIS 64 HE1 HIS 64 -27.248 12.928 6.293 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.882 10.717 12.849 436 HA GLU 68 HA GLU 68 -28.765 7.982 12.516 437 HB2 GLU 68 HB2 GLU 68 -28.373 8.961 10.430 438 HB3 GLU 68 HB3 GLU 68 -28.267 10.575 11.076 439 HG2 GLU 68 HG2 GLU 68 -25.992 9.925 12.045 440 HG3 GLU 68 HG3 GLU 68 -26.124 8.427 11.128 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.275 16.514 6.402 746 HA HIS 107 HA HIS 107 -24.364 17.861 8.209 747 HB2 HIS 107 HB2 HIS 107 -24.603 16.254 9.877 748 HB3 HIS 107 HB3 HIS 107 -26.221 16.116 9.188 749 HD1 HIS 107 HD1 HIS 107 -22.770 14.672 8.459 750 HD2 HIS 107 HD2 HIS 107 -26.721 13.362 8.390 751 HE1 HIS 107 HE1 HIS 107 -22.754 12.399 7.368 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.062 4.408 11.255 853 HA2 GLY 122 HA2 GLY 122 -23.487 6.650 12.575 854 HA3 GLY 122 HA3 GLY 122 -23.560 6.310 10.833 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -22.593 6.640 9.337 920 H2 TRP 202 H2 TRP 202 -23.538 6.380 7.950 921 H3 TRP 202 H3 TRP 202 -23.790 7.762 8.907 922 HA TRP 202 HA TRP 202 -21.498 8.465 8.371 923 HB2 TRP 202 HB2 TRP 202 -21.646 5.883 6.939 924 HB3 TRP 202 HB3 TRP 202 -20.921 7.186 6.016 925 HD1 TRP 202 HD1 TRP 202 -20.537 6.925 9.822 926 HE1 TRP 202 HE1 TRP 202 -18.049 6.552 10.375 927 HE3 TRP 202 HE3 TRP 202 -18.657 6.267 5.108 928 HZ2 TRP 202 HZ2 TRP 202 -15.593 6.032 9.012 929 HZ3 TRP 202 HZ3 TRP 202 -16.247 5.821 4.774 930 HH2 TRP 202 HH2 TRP 202 -14.711 5.707 6.716 Start of MODEL 13 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.826 0.227 159 HA ALA 29 HA ALA 29 -19.851 4.270 2.305 160 HB1 ALA 29 HB1 ALA 29 -22.007 4.300 3.741 161 HB2 ALA 29 HB2 ALA 29 -22.842 4.216 2.191 162 HB3 ALA 29 HB3 ALA 29 -21.779 5.574 2.542 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.675 2.612 9.978 286 HA ALA 46 HA ALA 46 -22.015 0.943 8.215 287 HB1 ALA 46 HB1 ALA 46 -22.103 2.548 6.428 288 HB2 ALA 46 HB2 ALA 46 -23.030 3.675 7.418 289 HB3 ALA 46 HB3 ALA 46 -23.770 2.172 6.866 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.662 3.528 10.240 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.410 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.529 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.829 5.086 11.601 303 HA LEU 50 HA LEU 50 -10.476 6.164 8.869 304 HB2 LEU 50 HB2 LEU 50 -10.842 8.455 10.141 305 HB3 LEU 50 HB3 LEU 50 -12.129 7.537 9.383 306 HG LEU 50 HG LEU 50 -12.309 6.325 11.707 307 HD11 LEU 50 HD11 LEU 50 -11.575 7.677 13.527 308 HD12 LEU 50 HD12 LEU 50 -11.027 8.931 12.432 309 HD13 LEU 50 HD13 LEU 50 -10.221 7.372 12.445 310 HD21 LEU 50 HD21 LEU 50 -13.608 8.473 12.558 311 HD22 LEU 50 HD22 LEU 50 -14.194 7.539 11.182 312 HD23 LEU 50 HD23 LEU 50 -13.292 9.033 10.921 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.393 7.852 7.732 326 HA LEU 53 HA LEU 53 -9.059 9.499 5.377 327 HB2 LEU 53 HB2 LEU 53 -10.485 8.273 7.662 328 HB3 LEU 53 HB3 LEU 53 -11.167 9.774 7.076 329 HG LEU 53 HG LEU 53 -11.772 8.880 5.009 330 HD11 LEU 53 HD11 LEU 53 -9.503 6.958 5.431 331 HD12 LEU 53 HD12 LEU 53 -9.902 7.920 4.008 332 HD13 LEU 53 HD13 LEU 53 -10.835 6.480 4.380 333 HD21 LEU 53 HD21 LEU 53 -12.805 6.671 5.505 334 HD22 LEU 53 HD22 LEU 53 -13.048 7.835 6.811 335 HD23 LEU 53 HD23 LEU 53 -11.812 6.575 6.966 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.807 11.734 4.644 369 HA VAL 58 HA VAL 58 -15.537 10.382 2.081 370 HB VAL 58 HB VAL 58 -17.344 8.867 3.241 371 HG11 VAL 58 HG11 VAL 58 -14.396 9.161 3.791 372 HG12 VAL 58 HG12 VAL 58 -15.271 7.826 3.042 373 HG13 VAL 58 HG13 VAL 58 -15.304 8.028 4.788 374 HG21 VAL 58 HG21 VAL 58 -17.562 9.094 5.580 375 HG22 VAL 58 HG22 VAL 58 -17.637 10.767 5.024 376 HG23 VAL 58 HG23 VAL 58 -16.138 10.128 5.712 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -24.921 15.965 4.411 395 HA HIS 62 HA HIS 62 -26.750 15.527 2.144 396 HB2 HIS 62 HB2 HIS 62 -26.120 13.349 1.801 397 HB3 HIS 62 HB3 HIS 62 -24.617 13.848 2.549 398 HD1 HIS 62 HD1 HIS 62 -27.628 11.701 3.068 399 HD2 HIS 62 HD2 HIS 62 -24.257 12.788 5.287 400 HE1 HIS 62 HE1 HIS 62 -27.374 9.952 4.882 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -31.072 12.911 6.337 409 HA HIS 64 HA HIS 64 -31.667 10.709 4.564 410 HB2 HIS 64 HB2 HIS 64 -31.351 9.240 6.928 411 HB3 HIS 64 HB3 HIS 64 -30.363 9.121 5.474 412 HD1 HIS 64 HD1 HIS 64 -30.334 12.180 7.647 413 HD2 HIS 64 HD2 HIS 64 -28.042 8.815 6.821 414 HE1 HIS 64 HE1 HIS 64 -28.145 12.474 8.855 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.848 10.717 12.831 436 HA GLU 68 HA GLU 68 -28.772 7.949 12.561 437 HB2 GLU 68 HB2 GLU 68 -28.382 9.255 10.428 438 HB3 GLU 68 HB3 GLU 68 -27.506 10.453 11.346 439 HG2 GLU 68 HG2 GLU 68 -26.061 8.401 12.159 440 HG3 GLU 68 HG3 GLU 68 -26.725 7.621 10.744 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.184 16.559 6.363 746 HA HIS 107 HA HIS 107 -24.279 18.029 8.059 747 HB2 HIS 107 HB2 HIS 107 -24.382 16.539 9.867 748 HB3 HIS 107 HB3 HIS 107 -26.067 16.463 9.340 749 HD1 HIS 107 HD1 HIS 107 -22.754 14.723 8.769 750 HD2 HIS 107 HD2 HIS 107 -26.794 13.936 8.215 751 HE1 HIS 107 HE1 HIS 107 -22.911 12.529 7.527 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.060 4.408 11.255 853 HA2 GLY 122 HA2 GLY 122 -23.486 6.651 12.572 854 HA3 GLY 122 HA3 GLY 122 -23.559 6.311 10.830 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -23.352 6.366 7.962 920 H2 TRP 202 H2 TRP 202 -23.651 7.537 9.150 921 H3 TRP 202 H3 TRP 202 -22.298 6.522 9.282 922 HA TRP 202 HA TRP 202 -21.496 8.575 8.533 923 HB2 TRP 202 HB2 TRP 202 -21.688 6.396 6.509 924 HB3 TRP 202 HB3 TRP 202 -20.961 7.924 6.060 925 HD1 TRP 202 HD1 TRP 202 -20.390 6.950 9.647 926 HE1 TRP 202 HE1 TRP 202 -17.928 6.268 9.944 927 HE3 TRP 202 HE3 TRP 202 -18.923 6.688 4.746 928 HZ2 TRP 202 HZ2 TRP 202 -15.650 5.664 8.333 929 HZ3 TRP 202 HZ3 TRP 202 -16.614 6.040 4.168 930 HH2 TRP 202 HH2 TRP 202 -14.971 5.530 5.951 Start of MODEL 14 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.828 0.228 159 HA ALA 29 HA ALA 29 -19.850 4.271 2.305 160 HB1 ALA 29 HB1 ALA 29 -22.013 4.288 3.742 161 HB2 ALA 29 HB2 ALA 29 -22.840 4.223 2.186 162 HB3 ALA 29 HB3 ALA 29 -21.774 5.574 2.557 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.660 2.608 9.980 286 HA ALA 46 HA ALA 46 -21.999 0.923 8.238 287 HB1 ALA 46 HB1 ALA 46 -21.979 2.793 6.550 288 HB2 ALA 46 HB2 ALA 46 -23.316 3.524 7.438 289 HB3 ALA 46 HB3 ALA 46 -23.522 1.949 6.673 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.662 3.528 10.241 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.411 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.528 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.827 5.087 11.601 303 HA LEU 50 HA LEU 50 -10.471 6.160 8.868 304 HB2 LEU 50 HB2 LEU 50 -10.833 8.455 10.141 305 HB3 LEU 50 HB3 LEU 50 -12.117 7.545 9.369 306 HG LEU 50 HG LEU 50 -12.318 6.324 11.687 307 HD11 LEU 50 HD11 LEU 50 -11.593 7.664 13.520 308 HD12 LEU 50 HD12 LEU 50 -11.039 8.926 12.436 309 HD13 LEU 50 HD13 LEU 50 -10.232 7.367 12.444 310 HD21 LEU 50 HD21 LEU 50 -13.301 9.020 10.879 311 HD22 LEU 50 HD22 LEU 50 -13.612 8.493 12.527 312 HD23 LEU 50 HD23 LEU 50 -14.200 7.533 11.170 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.391 7.848 7.729 326 HA LEU 53 HA LEU 53 -9.062 9.492 5.375 327 HB2 LEU 53 HB2 LEU 53 -10.479 8.265 7.666 328 HB3 LEU 53 HB3 LEU 53 -11.169 9.760 7.073 329 HG LEU 53 HG LEU 53 -11.765 8.854 5.007 330 HD11 LEU 53 HD11 LEU 53 -9.495 6.937 5.440 331 HD12 LEU 53 HD12 LEU 53 -9.892 7.894 4.014 332 HD13 LEU 53 HD13 LEU 53 -10.824 6.454 4.389 333 HD21 LEU 53 HD21 LEU 53 -11.814 6.570 6.990 334 HD22 LEU 53 HD22 LEU 53 -12.785 6.632 5.512 335 HD23 LEU 53 HD23 LEU 53 -13.057 7.816 6.794 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.801 11.731 4.646 369 HA VAL 58 HA VAL 58 -15.531 10.388 2.079 370 HB VAL 58 HB VAL 58 -17.304 8.841 3.224 371 HG11 VAL 58 HG11 VAL 58 -14.389 9.210 3.949 372 HG12 VAL 58 HG12 VAL 58 -15.137 7.947 2.973 373 HG13 VAL 58 HG13 VAL 58 -15.334 7.939 4.722 374 HG21 VAL 58 HG21 VAL 58 -17.532 9.038 5.568 375 HG22 VAL 58 HG22 VAL 58 -17.666 10.707 5.016 376 HG23 VAL 58 HG23 VAL 58 -16.149 10.124 5.707 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -24.994 16.015 4.413 395 HA HIS 62 HA HIS 62 -26.848 15.764 2.191 396 HB2 HIS 62 HB2 HIS 62 -26.404 13.587 1.616 397 HB3 HIS 62 HB3 HIS 62 -24.793 14.166 1.975 398 HD1 HIS 62 HD1 HIS 62 -26.590 11.318 2.262 399 HD2 HIS 62 HD2 HIS 62 -24.374 13.383 5.134 400 HE1 HIS 62 HE1 HIS 62 -25.834 9.608 3.931 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -30.984 12.969 6.391 409 HA HIS 64 HA HIS 64 -31.389 10.418 4.913 410 HB2 HIS 64 HB2 HIS 64 -31.100 10.381 7.928 411 HB3 HIS 64 HB3 HIS 64 -30.794 9.088 6.750 412 HD1 HIS 64 HD1 HIS 64 -29.605 12.623 7.146 413 HD2 HIS 64 HD2 HIS 64 -28.078 8.830 6.423 414 HE1 HIS 64 HE1 HIS 64 -27.268 12.950 6.311 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.883 10.718 12.848 436 HA GLU 68 HA GLU 68 -28.763 7.985 12.512 437 HB2 GLU 68 HB2 GLU 68 -28.363 8.964 10.430 438 HB3 GLU 68 HB3 GLU 68 -28.277 10.580 11.073 439 HG2 GLU 68 HG2 GLU 68 -25.998 9.961 12.048 440 HG3 GLU 68 HG3 GLU 68 -26.110 8.455 11.141 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.270 16.516 6.400 746 HA HIS 107 HA HIS 107 -24.358 17.870 8.201 747 HB2 HIS 107 HB2 HIS 107 -24.587 16.269 9.877 748 HB3 HIS 107 HB3 HIS 107 -26.210 16.131 9.199 749 HD1 HIS 107 HD1 HIS 107 -22.763 14.673 8.474 750 HD2 HIS 107 HD2 HIS 107 -26.720 13.383 8.392 751 HE1 HIS 107 HE1 HIS 107 -22.756 12.404 7.374 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.061 4.402 11.259 853 HA2 GLY 122 HA2 GLY 122 -23.487 6.649 12.572 854 HA3 GLY 122 HA3 GLY 122 -23.559 6.305 10.831 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -22.613 6.532 9.239 920 H2 TRP 202 H2 TRP 202 -23.615 6.419 7.872 921 H3 TRP 202 H3 TRP 202 -23.775 7.730 8.941 922 HA TRP 202 HA TRP 202 -21.536 8.456 8.366 923 HB2 TRP 202 HB2 TRP 202 -21.647 5.891 6.895 924 HB3 TRP 202 HB3 TRP 202 -20.923 7.213 6.001 925 HD1 TRP 202 HD1 TRP 202 -20.557 6.934 9.803 926 HE1 TRP 202 HE1 TRP 202 -18.073 6.555 10.364 927 HE3 TRP 202 HE3 TRP 202 -18.660 6.267 5.095 928 HZ2 TRP 202 HZ2 TRP 202 -15.614 6.027 9.011 929 HZ3 TRP 202 HZ3 TRP 202 -16.253 5.810 4.771 930 HH2 TRP 202 HH2 TRP 202 -14.725 5.694 6.719 Start of MODEL 15 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.828 0.228 159 HA ALA 29 HA ALA 29 -19.849 4.271 2.305 160 HB1 ALA 29 HB1 ALA 29 -22.011 4.291 3.743 161 HB2 ALA 29 HB2 ALA 29 -22.840 4.224 2.188 162 HB3 ALA 29 HB3 ALA 29 -21.773 5.575 2.556 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.696 2.626 9.964 286 HA ALA 46 HA ALA 46 -22.033 0.983 8.174 287 HB1 ALA 46 HB1 ALA 46 -22.476 2.236 6.302 288 HB2 ALA 46 HB2 ALA 46 -22.558 3.747 7.215 289 HB3 ALA 46 HB3 ALA 46 -23.953 2.667 7.160 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.662 3.528 10.241 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.411 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.528 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.859 4.995 11.648 303 HA LEU 50 HA LEU 50 -10.666 6.395 9.080 304 HB2 LEU 50 HB2 LEU 50 -10.499 8.151 11.405 305 HB3 LEU 50 HB3 LEU 50 -11.437 8.301 9.926 306 HG LEU 50 HG LEU 50 -12.774 6.220 10.999 307 HD11 LEU 50 HD11 LEU 50 -12.729 6.213 13.346 308 HD12 LEU 50 HD12 LEU 50 -11.893 7.747 13.432 309 HD13 LEU 50 HD13 LEU 50 -11.068 6.325 12.856 310 HD21 LEU 50 HD21 LEU 50 -14.438 7.643 11.238 311 HD22 LEU 50 HD22 LEU 50 -13.358 8.911 10.713 312 HD23 LEU 50 HD23 LEU 50 -13.621 8.639 12.429 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.428 7.856 7.704 326 HA LEU 53 HA LEU 53 -9.040 9.506 5.362 327 HB2 LEU 53 HB2 LEU 53 -10.641 8.943 7.841 328 HB3 LEU 53 HB3 LEU 53 -11.231 9.734 6.386 329 HG LEU 53 HG LEU 53 -10.111 6.918 6.417 330 HD11 LEU 53 HD11 LEU 53 -12.249 7.332 7.780 331 HD12 LEU 53 HD12 LEU 53 -12.308 6.081 6.548 332 HD13 LEU 53 HD13 LEU 53 -13.028 7.663 6.236 333 HD21 LEU 53 HD21 LEU 53 -11.463 6.863 4.251 334 HD22 LEU 53 HD22 LEU 53 -10.000 7.838 4.237 335 HD23 LEU 53 HD23 LEU 53 -11.585 8.619 4.394 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.827 11.717 4.620 369 HA VAL 58 HA VAL 58 -15.533 10.453 2.006 370 HB VAL 58 HB VAL 58 -17.569 9.071 3.404 371 HG11 VAL 58 HG11 VAL 58 -15.942 7.302 3.530 372 HG12 VAL 58 HG12 VAL 58 -14.602 8.438 3.413 373 HG13 VAL 58 HG13 VAL 58 -15.647 8.154 2.020 374 HG21 VAL 58 HG21 VAL 58 -15.245 9.696 5.235 375 HG22 VAL 58 HG22 VAL 58 -16.703 8.758 5.602 376 HG23 VAL 58 HG23 VAL 58 -16.825 10.497 5.349 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -25.038 16.029 4.407 395 HA HIS 62 HA HIS 62 -26.897 15.847 2.190 396 HB2 HIS 62 HB2 HIS 62 -26.550 13.660 1.553 397 HB3 HIS 62 HB3 HIS 62 -24.903 14.168 1.882 398 HD1 HIS 62 HD1 HIS 62 -26.763 11.327 2.269 399 HD2 HIS 62 HD2 HIS 62 -24.570 13.547 5.030 400 HE1 HIS 62 HE1 HIS 62 -26.117 9.725 4.116 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -31.053 12.918 6.358 409 HA HIS 64 HA HIS 64 -31.573 10.584 4.658 410 HB2 HIS 64 HB2 HIS 64 -31.265 9.598 7.397 411 HB3 HIS 64 HB3 HIS 64 -30.519 8.995 5.905 412 HD1 HIS 64 HD1 HIS 64 -30.123 11.550 8.580 413 HD2 HIS 64 HD2 HIS 64 -28.046 9.994 5.346 414 HE1 HIS 64 HE1 HIS 64 -27.886 12.675 8.575 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.813 10.646 12.957 436 HA GLU 68 HA GLU 68 -28.967 7.844 12.950 437 HB2 GLU 68 HB2 GLU 68 -27.201 8.127 11.339 438 HB3 GLU 68 HB3 GLU 68 -28.725 8.584 10.619 439 HG2 GLU 68 HG2 GLU 68 -28.202 10.945 11.008 440 HG3 GLU 68 HG3 GLU 68 -26.601 10.471 11.609 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.164 16.570 6.355 746 HA HIS 107 HA HIS 107 -24.265 18.059 8.045 747 HB2 HIS 107 HB2 HIS 107 -24.336 16.546 9.850 748 HB3 HIS 107 HB3 HIS 107 -26.033 16.478 9.346 749 HD1 HIS 107 HD1 HIS 107 -22.793 14.611 9.184 750 HD2 HIS 107 HD2 HIS 107 -26.622 14.202 7.619 751 HE1 HIS 107 HE1 HIS 107 -22.769 12.593 7.622 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.066 4.379 11.280 853 HA2 GLY 122 HA2 GLY 122 -23.489 6.638 12.578 854 HA3 GLY 122 HA3 GLY 122 -23.557 6.295 10.838 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -23.412 6.127 7.277 920 H2 TRP 202 H2 TRP 202 -24.442 7.218 8.073 921 H3 TRP 202 H3 TRP 202 -23.184 6.458 8.925 922 HA TRP 202 HA TRP 202 -22.275 8.494 8.538 923 HB2 TRP 202 HB2 TRP 202 -21.561 6.524 6.420 924 HB3 TRP 202 HB3 TRP 202 -20.906 8.134 6.280 925 HD1 TRP 202 HD1 TRP 202 -21.227 7.118 9.881 926 HE1 TRP 202 HE1 TRP 202 -18.910 6.506 10.802 927 HE3 TRP 202 HE3 TRP 202 -18.559 6.868 5.520 928 HZ2 TRP 202 HZ2 TRP 202 -16.277 5.943 9.827 929 HZ3 TRP 202 HZ3 TRP 202 -16.154 6.273 5.567 930 HH2 TRP 202 HH2 TRP 202 -15.013 5.819 7.708 Start of MODEL 16 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.828 0.228 159 HA ALA 29 HA ALA 29 -19.850 4.271 2.306 160 HB1 ALA 29 HB1 ALA 29 -21.775 5.574 2.558 161 HB2 ALA 29 HB2 ALA 29 -22.014 4.288 3.742 162 HB3 ALA 29 HB3 ALA 29 -22.840 4.223 2.186 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.692 2.622 9.970 286 HA ALA 46 HA ALA 46 -22.031 0.981 8.176 287 HB1 ALA 46 HB1 ALA 46 -23.851 2.371 6.951 288 HB2 ALA 46 HB2 ALA 46 -22.187 2.508 6.384 289 HB3 ALA 46 HB3 ALA 46 -22.877 3.774 7.405 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.662 3.528 10.241 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.410 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.529 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.825 5.028 11.642 303 HA LEU 50 HA LEU 50 -10.635 6.362 9.022 304 HB2 LEU 50 HB2 LEU 50 -10.535 8.109 11.373 305 HB3 LEU 50 HB3 LEU 50 -11.337 8.325 9.820 306 HG LEU 50 HG LEU 50 -12.761 6.194 10.747 307 HD11 LEU 50 HD11 LEU 50 -11.287 6.349 12.794 308 HD12 LEU 50 HD12 LEU 50 -13.012 6.290 13.074 309 HD13 LEU 50 HD13 LEU 50 -12.159 7.815 13.205 310 HD21 LEU 50 HD21 LEU 50 -13.595 8.461 10.017 311 HD22 LEU 50 HD22 LEU 50 -13.396 8.976 11.699 312 HD23 LEU 50 HD23 LEU 50 -14.463 7.642 11.292 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.398 7.845 7.727 326 HA LEU 53 HA LEU 53 -9.080 9.491 5.378 327 HB2 LEU 53 HB2 LEU 53 -10.470 8.249 7.664 328 HB3 LEU 53 HB3 LEU 53 -11.155 9.771 7.150 329 HG LEU 53 HG LEU 53 -11.846 8.947 5.085 330 HD11 LEU 53 HD11 LEU 53 -10.934 6.542 4.367 331 HD12 LEU 53 HD12 LEU 53 -9.542 7.050 5.328 332 HD13 LEU 53 HD13 LEU 53 -10.067 8.014 3.947 333 HD21 LEU 53 HD21 LEU 53 -13.080 7.853 6.867 334 HD22 LEU 53 HD22 LEU 53 -11.833 6.596 6.989 335 HD23 LEU 53 HD23 LEU 53 -12.851 6.702 5.545 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.782 11.769 4.674 369 HA VAL 58 HA VAL 58 -15.572 10.282 2.198 370 HB VAL 58 HB VAL 58 -17.535 8.994 3.490 371 HG11 VAL 58 HG11 VAL 58 -14.555 8.933 3.783 372 HG12 VAL 58 HG12 VAL 58 -15.682 7.634 3.386 373 HG13 VAL 58 HG13 VAL 58 -15.463 8.121 5.060 374 HG21 VAL 58 HG21 VAL 58 -17.638 9.386 5.803 375 HG22 VAL 58 HG22 VAL 58 -17.520 11.024 5.161 376 HG23 VAL 58 HG23 VAL 58 -16.090 10.233 5.835 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -24.958 15.983 4.409 395 HA HIS 62 HA HIS 62 -26.791 15.617 2.143 396 HB2 HIS 62 HB2 HIS 62 -26.213 13.444 1.710 397 HB3 HIS 62 HB3 HIS 62 -24.676 13.907 2.419 398 HD1 HIS 62 HD1 HIS 62 -27.729 11.843 3.022 399 HD2 HIS 62 HD2 HIS 62 -24.222 12.789 5.081 400 HE1 HIS 62 HE1 HIS 62 -27.467 10.090 4.820 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -31.054 12.903 6.354 409 HA HIS 64 HA HIS 64 -31.634 10.672 4.589 410 HB2 HIS 64 HB2 HIS 64 -31.360 9.289 7.039 411 HB3 HIS 64 HB3 HIS 64 -30.405 9.066 5.577 412 HD1 HIS 64 HD1 HIS 64 -30.318 12.118 7.789 413 HD2 HIS 64 HD2 HIS 64 -27.987 8.847 6.720 414 HE1 HIS 64 HE1 HIS 64 -28.070 12.438 8.875 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.901 10.762 12.818 436 HA GLU 68 HA GLU 68 -28.611 8.109 12.321 437 HB2 GLU 68 HB2 GLU 68 -28.434 10.484 10.823 438 HB3 GLU 68 HB3 GLU 68 -27.026 10.590 11.842 439 HG2 GLU 68 HG2 GLU 68 -26.939 7.974 10.817 440 HG3 GLU 68 HG3 GLU 68 -27.405 9.018 9.499 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.186 16.558 6.370 746 HA HIS 107 HA HIS 107 -24.286 18.036 8.062 747 HB2 HIS 107 HB2 HIS 107 -24.408 16.548 9.880 748 HB3 HIS 107 HB3 HIS 107 -26.093 16.493 9.346 749 HD1 HIS 107 HD1 HIS 107 -22.806 14.726 8.889 750 HD2 HIS 107 HD2 HIS 107 -26.824 13.991 8.092 751 HE1 HIS 107 HE1 HIS 107 -22.909 12.597 7.537 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.074 4.380 11.283 853 HA2 GLY 122 HA2 GLY 122 -23.490 6.633 12.601 854 HA3 GLY 122 HA3 GLY 122 -23.561 6.310 10.858 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -23.564 5.438 7.636 920 H2 TRP 202 H2 TRP 202 -24.133 5.918 9.164 921 H3 TRP 202 H3 TRP 202 -22.499 5.503 8.954 922 HA TRP 202 HA TRP 202 -22.815 7.908 9.083 923 HB2 TRP 202 HB2 TRP 202 -21.881 6.690 6.476 924 HB3 TRP 202 HB3 TRP 202 -21.685 8.393 6.828 925 HD1 TRP 202 HD1 TRP 202 -21.117 7.171 10.110 926 HE1 TRP 202 HE1 TRP 202 -18.674 6.617 10.591 927 HE3 TRP 202 HE3 TRP 202 -19.222 6.932 5.308 928 HZ2 TRP 202 HZ2 TRP 202 -16.257 6.112 9.199 929 HZ3 TRP 202 HZ3 TRP 202 -16.865 6.368 4.962 930 HH2 TRP 202 HH2 TRP 202 -15.361 5.977 6.892 Start of MODEL 17 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.828 0.228 159 HA ALA 29 HA ALA 29 -19.850 4.271 2.306 160 HB1 ALA 29 HB1 ALA 29 -22.012 4.289 3.743 161 HB2 ALA 29 HB2 ALA 29 -22.840 4.223 2.188 162 HB3 ALA 29 HB3 ALA 29 -21.774 5.574 2.557 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.661 2.608 9.980 286 HA ALA 46 HA ALA 46 -21.999 0.923 8.237 287 HB1 ALA 46 HB1 ALA 46 -23.276 3.545 7.433 288 HB2 ALA 46 HB2 ALA 46 -23.556 1.967 6.695 289 HB3 ALA 46 HB3 ALA 46 -21.985 2.752 6.530 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.662 3.528 10.241 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.411 295 HA3 GLY 48 HA3 GLY 48 -14.997 2.528 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.828 5.029 11.641 303 HA LEU 50 HA LEU 50 -10.639 6.368 9.022 304 HB2 LEU 50 HB2 LEU 50 -10.534 8.109 11.380 305 HB3 LEU 50 HB3 LEU 50 -11.332 8.332 9.825 306 HG LEU 50 HG LEU 50 -12.762 6.201 10.745 307 HD11 LEU 50 HD11 LEU 50 -12.165 7.817 13.207 308 HD12 LEU 50 HD12 LEU 50 -11.296 6.348 12.795 309 HD13 LEU 50 HD13 LEU 50 -13.021 6.294 13.071 310 HD21 LEU 50 HD21 LEU 50 -13.586 8.479 10.022 311 HD22 LEU 50 HD22 LEU 50 -13.417 8.970 11.713 312 HD23 LEU 50 HD23 LEU 50 -14.471 7.636 11.270 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.397 7.850 7.726 326 HA LEU 53 HA LEU 53 -9.051 9.498 5.369 327 HB2 LEU 53 HB2 LEU 53 -10.488 8.271 7.645 328 HB3 LEU 53 HB3 LEU 53 -11.172 9.766 7.047 329 HG LEU 53 HG LEU 53 -11.750 8.859 4.976 330 HD11 LEU 53 HD11 LEU 53 -9.491 6.931 5.434 331 HD12 LEU 53 HD12 LEU 53 -9.859 7.900 4.008 332 HD13 LEU 53 HD13 LEU 53 -10.807 6.465 4.358 333 HD21 LEU 53 HD21 LEU 53 -13.065 7.824 6.742 334 HD22 LEU 53 HD22 LEU 53 -11.819 6.583 6.967 335 HD23 LEU 53 HD23 LEU 53 -12.767 6.629 5.474 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.800 11.733 4.647 369 HA VAL 58 HA VAL 58 -15.529 10.391 2.080 370 HB VAL 58 HB VAL 58 -17.282 8.832 3.226 371 HG11 VAL 58 HG11 VAL 58 -15.304 7.964 4.745 372 HG12 VAL 58 HG12 VAL 58 -14.375 9.243 3.968 373 HG13 VAL 58 HG13 VAL 58 -15.098 7.964 2.995 374 HG21 VAL 58 HG21 VAL 58 -17.509 9.032 5.577 375 HG22 VAL 58 HG22 VAL 58 -17.692 10.690 5.006 376 HG23 VAL 58 HG23 VAL 58 -16.158 10.159 5.703 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -24.996 16.017 4.413 395 HA HIS 62 HA HIS 62 -26.850 15.767 2.192 396 HB2 HIS 62 HB2 HIS 62 -26.409 13.591 1.615 397 HB3 HIS 62 HB3 HIS 62 -24.797 14.168 1.971 398 HD1 HIS 62 HD1 HIS 62 -26.591 11.321 2.256 399 HD2 HIS 62 HD2 HIS 62 -24.379 13.386 5.131 400 HE1 HIS 62 HE1 HIS 62 -25.833 9.610 3.925 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -30.984 12.969 6.392 409 HA HIS 64 HA HIS 64 -31.388 10.417 4.914 410 HB2 HIS 64 HB2 HIS 64 -31.101 10.384 7.929 411 HB3 HIS 64 HB3 HIS 64 -30.795 9.090 6.754 412 HD1 HIS 64 HD1 HIS 64 -29.603 12.624 7.149 413 HD2 HIS 64 HD2 HIS 64 -28.079 8.830 6.424 414 HE1 HIS 64 HE1 HIS 64 -27.267 12.950 6.310 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.883 10.719 12.848 436 HA GLU 68 HA GLU 68 -28.763 7.985 12.512 437 HB2 GLU 68 HB2 GLU 68 -28.367 8.963 10.429 438 HB3 GLU 68 HB3 GLU 68 -28.279 10.579 11.072 439 HG2 GLU 68 HG2 GLU 68 -25.999 9.960 12.043 440 HG3 GLU 68 HG3 GLU 68 -26.112 8.454 11.136 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.271 16.516 6.400 746 HA HIS 107 HA HIS 107 -24.359 17.868 8.202 747 HB2 HIS 107 HB2 HIS 107 -24.588 16.267 9.877 748 HB3 HIS 107 HB3 HIS 107 -26.211 16.128 9.198 749 HD1 HIS 107 HD1 HIS 107 -22.763 14.672 8.471 750 HD2 HIS 107 HD2 HIS 107 -26.719 13.379 8.393 751 HE1 HIS 107 HE1 HIS 107 -22.755 12.402 7.373 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.064 4.404 11.260 853 HA2 GLY 122 HA2 GLY 122 -23.488 6.645 12.584 854 HA3 GLY 122 HA3 GLY 122 -23.563 6.311 10.843 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -23.949 7.638 8.640 920 H2 TRP 202 H2 TRP 202 -22.685 6.774 9.378 921 H3 TRP 202 H3 TRP 202 -23.369 6.211 7.928 922 HA TRP 202 HA TRP 202 -21.560 8.466 8.372 923 HB2 TRP 202 HB2 TRP 202 -21.612 5.914 6.874 924 HB3 TRP 202 HB3 TRP 202 -20.872 7.256 6.022 925 HD1 TRP 202 HD1 TRP 202 -20.605 6.959 9.830 926 HE1 TRP 202 HE1 TRP 202 -18.134 6.586 10.452 927 HE3 TRP 202 HE3 TRP 202 -18.606 6.281 5.174 928 HZ2 TRP 202 HZ2 TRP 202 -15.642 6.058 9.157 929 HZ3 TRP 202 HZ3 TRP 202 -16.186 5.829 4.903 930 HH2 TRP 202 HH2 TRP 202 -14.701 5.722 6.886 Start of MODEL 18 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.817 3.828 0.229 159 HA ALA 29 HA ALA 29 -19.848 4.269 2.306 160 HB1 ALA 29 HB1 ALA 29 -22.014 4.283 3.746 161 HB2 ALA 29 HB2 ALA 29 -22.837 4.235 2.187 162 HB3 ALA 29 HB3 ALA 29 -21.764 5.577 2.573 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.667 2.612 9.977 286 HA ALA 46 HA ALA 46 -22.005 0.940 8.220 287 HB1 ALA 46 HB1 ALA 46 -23.761 2.207 6.873 288 HB2 ALA 46 HB2 ALA 46 -22.081 2.507 6.420 289 HB3 ALA 46 HB3 ALA 46 -22.956 3.687 7.400 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.663 3.529 10.240 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.273 9.409 295 HA3 GLY 48 HA3 GLY 48 -14.997 2.530 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.815 5.071 11.611 303 HA LEU 50 HA LEU 50 -10.445 6.160 8.899 304 HB2 LEU 50 HB2 LEU 50 -10.823 8.453 10.160 305 HB3 LEU 50 HB3 LEU 50 -12.104 7.542 9.390 306 HG LEU 50 HG LEU 50 -12.309 6.329 11.713 307 HD11 LEU 50 HD11 LEU 50 -10.231 7.385 12.467 308 HD12 LEU 50 HD12 LEU 50 -11.599 7.698 13.538 309 HD13 LEU 50 HD13 LEU 50 -11.035 8.940 12.437 310 HD21 LEU 50 HD21 LEU 50 -14.194 7.531 11.165 311 HD22 LEU 50 HD22 LEU 50 -13.295 9.025 10.892 312 HD23 LEU 50 HD23 LEU 50 -13.624 8.486 12.532 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.447 7.825 7.679 326 HA LEU 53 HA LEU 53 -9.076 9.480 5.361 327 HB2 LEU 53 HB2 LEU 53 -10.630 8.839 7.867 328 HB3 LEU 53 HB3 LEU 53 -11.259 9.693 6.464 329 HG LEU 53 HG LEU 53 -10.119 6.890 6.345 330 HD11 LEU 53 HD11 LEU 53 -12.778 7.857 7.192 331 HD12 LEU 53 HD12 LEU 53 -12.006 6.299 7.422 332 HD13 LEU 53 HD13 LEU 53 -12.836 6.636 5.923 333 HD21 LEU 53 HD21 LEU 53 -11.571 8.704 4.419 334 HD22 LEU 53 HD22 LEU 53 -11.583 6.951 4.212 335 HD23 LEU 53 HD23 LEU 53 -10.049 7.825 4.205 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.817 11.715 4.629 369 HA VAL 58 HA VAL 58 -15.530 10.438 2.026 370 HB VAL 58 HB VAL 58 -17.568 9.071 3.435 371 HG11 VAL 58 HG11 VAL 58 -15.648 8.128 2.088 372 HG12 VAL 58 HG12 VAL 58 -15.895 7.326 3.636 373 HG13 VAL 58 HG13 VAL 58 -14.587 8.491 3.450 374 HG21 VAL 58 HG21 VAL 58 -15.260 9.770 5.273 375 HG22 VAL 58 HG22 VAL 58 -16.685 8.785 5.651 376 HG23 VAL 58 HG23 VAL 58 -16.864 10.522 5.375 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -24.955 15.984 4.409 395 HA HIS 62 HA HIS 62 -26.782 15.607 2.134 396 HB2 HIS 62 HB2 HIS 62 -26.148 13.449 1.705 397 HB3 HIS 62 HB3 HIS 62 -24.642 13.916 2.480 398 HD1 HIS 62 HD1 HIS 62 -27.790 11.948 3.033 399 HD2 HIS 62 HD2 HIS 62 -24.227 12.699 5.077 400 HE1 HIS 62 HE1 HIS 62 -27.620 10.183 4.828 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -31.064 12.912 6.345 409 HA HIS 64 HA HIS 64 -31.653 10.690 4.580 410 HB2 HIS 64 HB2 HIS 64 -31.396 9.274 7.004 411 HB3 HIS 64 HB3 HIS 64 -30.426 9.071 5.548 412 HD1 HIS 64 HD1 HIS 64 -30.354 12.094 7.792 413 HD2 HIS 64 HD2 HIS 64 -28.031 8.823 6.709 414 HE1 HIS 64 HE1 HIS 64 -28.111 12.393 8.900 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.852 10.703 12.880 436 HA GLU 68 HA GLU 68 -28.795 7.935 12.628 437 HB2 GLU 68 HB2 GLU 68 -28.379 8.937 10.469 438 HB3 GLU 68 HB3 GLU 68 -27.823 10.431 11.187 439 HG2 GLU 68 HG2 GLU 68 -25.827 9.318 12.092 440 HG3 GLU 68 HG3 GLU 68 -26.408 7.768 11.512 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.189 16.558 6.370 746 HA HIS 107 HA HIS 107 -24.287 18.031 8.061 747 HB2 HIS 107 HB2 HIS 107 -24.421 16.551 9.879 748 HB3 HIS 107 HB3 HIS 107 -26.100 16.482 9.333 749 HD1 HIS 107 HD1 HIS 107 -22.795 14.742 8.837 750 HD2 HIS 107 HD2 HIS 107 -26.826 13.931 8.200 751 HE1 HIS 107 HE1 HIS 107 -22.912 12.570 7.550 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.068 4.379 11.280 853 HA2 GLY 122 HA2 GLY 122 -23.490 6.638 12.581 854 HA3 GLY 122 HA3 GLY 122 -23.558 6.300 10.841 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -24.491 6.726 8.092 920 H2 TRP 202 H2 TRP 202 -23.257 5.614 7.735 921 H3 TRP 202 H3 TRP 202 -23.821 6.676 6.535 922 HA TRP 202 HA TRP 202 -22.494 7.534 9.015 923 HB2 TRP 202 HB2 TRP 202 -21.393 6.352 6.663 924 HB3 TRP 202 HB3 TRP 202 -20.989 8.054 6.583 925 HD1 TRP 202 HD1 TRP 202 -20.874 7.244 10.211 926 HE1 TRP 202 HE1 TRP 202 -18.493 6.684 10.935 927 HE3 TRP 202 HE3 TRP 202 -18.660 6.610 5.629 928 HZ2 TRP 202 HZ2 TRP 202 -15.972 6.051 9.762 929 HZ3 TRP 202 HZ3 TRP 202 -16.242 6.028 5.495 930 HH2 TRP 202 HH2 TRP 202 -14.907 5.747 7.554 Start of MODEL 19 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.828 0.227 159 HA ALA 29 HA ALA 29 -19.850 4.271 2.305 160 HB1 ALA 29 HB1 ALA 29 -22.014 4.288 3.742 161 HB2 ALA 29 HB2 ALA 29 -22.840 4.223 2.186 162 HB3 ALA 29 HB3 ALA 29 -21.775 5.574 2.557 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.691 2.623 9.968 286 HA ALA 46 HA ALA 46 -22.027 0.978 8.179 287 HB1 ALA 46 HB1 ALA 46 -22.814 3.774 7.369 288 HB2 ALA 46 HB2 ALA 46 -23.861 2.407 6.971 289 HB3 ALA 46 HB3 ALA 46 -22.207 2.453 6.365 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.662 3.528 10.240 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.410 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.529 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.823 5.020 11.649 303 HA LEU 50 HA LEU 50 -10.632 6.371 9.046 304 HB2 LEU 50 HB2 LEU 50 -10.522 8.088 11.421 305 HB3 LEU 50 HB3 LEU 50 -11.318 8.335 9.875 306 HG LEU 50 HG LEU 50 -12.756 6.197 10.765 307 HD11 LEU 50 HD11 LEU 50 -11.300 6.325 12.816 308 HD12 LEU 50 HD12 LEU 50 -13.024 6.292 13.091 309 HD13 LEU 50 HD13 LEU 50 -12.150 7.801 13.231 310 HD21 LEU 50 HD21 LEU 50 -14.460 7.642 11.293 311 HD22 LEU 50 HD22 LEU 50 -13.571 8.482 10.046 312 HD23 LEU 50 HD23 LEU 50 -13.402 8.967 11.740 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.407 7.865 7.717 326 HA LEU 53 HA LEU 53 -9.037 9.501 5.357 327 HB2 LEU 53 HB2 LEU 53 -10.673 9.031 7.830 328 HB3 LEU 53 HB3 LEU 53 -11.236 9.694 6.309 329 HG LEU 53 HG LEU 53 -10.083 6.902 6.541 330 HD11 LEU 53 HD11 LEU 53 -12.259 7.431 7.907 331 HD12 LEU 53 HD12 LEU 53 -12.219 6.020 6.863 332 HD13 LEU 53 HD13 LEU 53 -13.031 7.489 6.326 333 HD21 LEU 53 HD21 LEU 53 -10.069 7.788 4.296 334 HD22 LEU 53 HD22 LEU 53 -11.735 8.373 4.465 335 HD23 LEU 53 HD23 LEU 53 -11.400 6.640 4.415 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.823 11.713 4.625 369 HA VAL 58 HA VAL 58 -15.531 10.454 2.010 370 HB VAL 58 HB VAL 58 -17.548 9.041 3.377 371 HG11 VAL 58 HG11 VAL 58 -15.587 8.153 2.047 372 HG12 VAL 58 HG12 VAL 58 -15.876 7.309 3.561 373 HG13 VAL 58 HG13 VAL 58 -14.566 8.481 3.448 374 HG21 VAL 58 HG21 VAL 58 -16.781 8.761 5.606 375 HG22 VAL 58 HG22 VAL 58 -16.852 10.501 5.348 376 HG23 VAL 58 HG23 VAL 58 -15.289 9.658 5.291 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -25.038 16.027 4.406 395 HA HIS 62 HA HIS 62 -26.897 15.848 2.190 396 HB2 HIS 62 HB2 HIS 62 -26.550 13.663 1.547 397 HB3 HIS 62 HB3 HIS 62 -24.902 14.168 1.879 398 HD1 HIS 62 HD1 HIS 62 -26.792 11.336 2.267 399 HD2 HIS 62 HD2 HIS 62 -24.545 13.526 5.010 400 HE1 HIS 62 HE1 HIS 62 -26.138 9.721 4.102 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -31.052 12.920 6.359 409 HA HIS 64 HA HIS 64 -31.568 10.579 4.664 410 HB2 HIS 64 HB2 HIS 64 -31.261 9.614 7.413 411 HB3 HIS 64 HB3 HIS 64 -30.522 8.996 5.925 412 HD1 HIS 64 HD1 HIS 64 -30.106 11.565 8.584 413 HD2 HIS 64 HD2 HIS 64 -28.053 9.994 5.343 414 HE1 HIS 64 HE1 HIS 64 -27.870 12.692 8.555 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.813 10.648 12.953 436 HA GLU 68 HA GLU 68 -28.964 7.845 12.943 437 HB2 GLU 68 HB2 GLU 68 -27.204 8.129 11.326 438 HB3 GLU 68 HB3 GLU 68 -28.726 8.592 10.610 439 HG2 GLU 68 HG2 GLU 68 -28.194 10.951 11.004 440 HG3 GLU 68 HG3 GLU 68 -26.593 10.471 11.598 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.165 16.569 6.355 746 HA HIS 107 HA HIS 107 -24.266 18.054 8.050 747 HB2 HIS 107 HB2 HIS 107 -24.336 16.533 9.846 748 HB3 HIS 107 HB3 HIS 107 -26.033 16.463 9.341 749 HD1 HIS 107 HD1 HIS 107 -22.796 14.590 9.190 750 HD2 HIS 107 HD2 HIS 107 -26.607 14.207 7.577 751 HE1 HIS 107 HE1 HIS 107 -22.763 12.581 7.615 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.067 4.383 11.276 853 HA2 GLY 122 HA2 GLY 122 -23.489 6.640 12.578 854 HA3 GLY 122 HA3 GLY 122 -23.559 6.297 10.837 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -22.906 6.119 8.482 920 H2 TRP 202 H2 TRP 202 -24.011 6.562 7.270 921 H3 TRP 202 H3 TRP 202 -24.121 7.254 8.818 922 HA TRP 202 HA TRP 202 -22.255 8.548 8.513 923 HB2 TRP 202 HB2 TRP 202 -21.609 6.497 6.444 924 HB3 TRP 202 HB3 TRP 202 -20.930 8.093 6.266 925 HD1 TRP 202 HD1 TRP 202 -21.255 7.122 9.879 926 HE1 TRP 202 HE1 TRP 202 -18.935 6.515 10.803 927 HE3 TRP 202 HE3 TRP 202 -18.594 6.844 5.519 928 HZ2 TRP 202 HZ2 TRP 202 -16.301 5.949 9.825 929 HZ3 TRP 202 HZ3 TRP 202 -16.189 6.252 5.563 930 HH2 TRP 202 HH2 TRP 202 -15.041 5.815 7.705 Start of MODEL 20 1 H PRO 7 H PRO 7 -23.010 -24.552 4.246 2 HA PRO 7 HA PRO 7 -22.124 -25.058 6.607 3 HB2 PRO 7 HB2 PRO 7 -19.598 -24.237 6.320 4 HB3 PRO 7 HB3 PRO 7 -19.993 -25.902 5.784 5 HG2 PRO 7 HG2 PRO 7 -19.822 -23.375 4.094 6 HG3 PRO 7 HG3 PRO 7 -19.017 -24.954 3.832 7 HD2 PRO 7 HD2 PRO 7 -21.468 -24.285 2.687 8 HD3 PRO 7 HD3 PRO 7 -20.962 -25.964 3.044 9 H ALA 8 H ALA 8 -23.056 -22.758 4.182 10 HA ALA 8 HA ALA 8 -22.284 -20.369 5.708 11 HB1 ALA 8 HB1 ALA 8 -23.187 -20.087 3.413 12 HB2 ALA 8 HB2 ALA 8 -24.168 -19.206 4.608 13 HB3 ALA 8 HB3 ALA 8 -24.748 -20.754 3.949 14 H ASP 9 H ASP 9 -23.180 -19.511 7.491 15 HA ASP 9 HA ASP 9 -25.230 -21.300 8.835 16 HB2 ASP 9 HB2 ASP 9 -23.002 -20.876 10.008 17 HB3 ASP 9 HB3 ASP 9 -23.391 -19.147 10.019 18 HA PRO 10 HA PRO 10 -27.759 -17.877 7.628 19 HB2 PRO 10 HB2 PRO 10 -30.041 -18.359 9.192 20 HB3 PRO 10 HB3 PRO 10 -29.682 -19.201 7.649 21 HG2 PRO 10 HG2 PRO 10 -29.078 -20.034 10.490 22 HG3 PRO 10 HG3 PRO 10 -29.752 -21.007 9.157 23 HD2 PRO 10 HD2 PRO 10 -27.256 -21.232 9.889 24 HD3 PRO 10 HD3 PRO 10 -27.734 -21.269 8.163 25 H GLU 11 H GLU 11 -26.865 -18.399 10.926 26 HA GLU 11 HA GLU 11 -27.924 -15.842 11.853 27 HB2 GLU 11 HB2 GLU 11 -26.276 -17.949 13.272 28 HB3 GLU 11 HB3 GLU 11 -26.815 -16.427 14.015 29 HG2 GLU 11 HG2 GLU 11 -28.500 -18.717 12.965 30 HG3 GLU 11 HG3 GLU 11 -28.425 -18.096 14.618 31 H ILE 12 H ILE 12 -25.243 -16.573 9.983 32 HA ILE 12 HA ILE 12 -23.528 -14.456 11.322 33 HB ILE 12 HB ILE 12 -22.589 -17.061 10.145 34 HG12 ILE 12 HG12 ILE 12 -22.409 -15.934 12.932 35 HG13 ILE 12 HG13 ILE 12 -23.565 -17.157 12.393 36 HG21 ILE 12 HG21 ILE 12 -20.295 -16.267 10.687 37 HG22 ILE 12 HG22 ILE 12 -20.966 -14.681 11.138 38 HG23 ILE 12 HG23 ILE 12 -21.088 -15.253 9.457 39 HD11 ILE 12 HD11 ILE 12 -21.748 -18.148 13.640 40 HD12 ILE 12 HD12 ILE 12 -21.719 -18.694 11.947 41 HD13 ILE 12 HD13 ILE 12 -20.567 -17.457 12.502 42 H VAL 13 H VAL 13 -23.015 -12.860 10.002 43 HA VAL 13 HA VAL 13 -23.003 -13.396 7.056 44 HB VAL 13 HB VAL 13 -23.611 -10.801 8.557 45 HG11 VAL 13 HG11 VAL 13 -23.813 -9.798 6.294 46 HG12 VAL 13 HG12 VAL 13 -23.266 -11.334 5.580 47 HG13 VAL 13 HG13 VAL 13 -22.168 -10.395 6.619 48 HG21 VAL 13 HG21 VAL 13 -25.787 -10.968 7.430 49 HG22 VAL 13 HG22 VAL 13 -25.289 -12.519 6.713 50 HG23 VAL 13 HG23 VAL 13 -25.471 -12.372 8.477 51 H GLU 14 H GLU 14 -21.029 -13.593 6.387 52 HA GLU 14 HA GLU 14 -18.817 -12.045 7.681 53 HB2 GLU 14 HB2 GLU 14 -18.706 -14.592 6.069 54 HB3 GLU 14 HB3 GLU 14 -17.269 -13.642 6.474 55 HG2 GLU 14 HG2 GLU 14 -19.115 -14.510 8.710 56 HG3 GLU 14 HG3 GLU 14 -18.064 -15.719 7.965 57 H GLY 15 H GLY 15 -20.825 -12.081 4.984 58 HA2 GLY 15 HA2 GLY 15 -18.804 -11.051 3.116 59 HA3 GLY 15 HA3 GLY 15 -20.542 -11.206 2.806 60 H LEU 16 H LEU 16 -18.072 -9.323 4.453 61 HA LEU 16 HA LEU 16 -19.755 -6.844 4.488 62 HB2 LEU 16 HB2 LEU 16 -18.255 -8.006 6.878 63 HB3 LEU 16 HB3 LEU 16 -18.991 -6.401 6.820 64 HG LEU 16 HG LEU 16 -20.385 -9.021 6.662 65 HD11 LEU 16 HD11 LEU 16 -21.273 -8.404 8.910 66 HD12 LEU 16 HD12 LEU 16 -20.211 -6.976 8.912 67 HD13 LEU 16 HD13 LEU 16 -19.505 -8.611 8.891 68 HD21 LEU 16 HD21 LEU 16 -21.631 -7.317 5.383 69 HD22 LEU 16 HD22 LEU 16 -21.684 -6.297 6.840 70 HD23 LEU 16 HD23 LEU 16 -22.494 -7.882 6.834 71 HA PRO 17 HA PRO 17 -19.505 -4.796 5.352 72 HB2 PRO 17 HB2 PRO 17 -18.967 -2.374 4.153 73 HB3 PRO 17 HB3 PRO 17 -18.140 -2.854 5.672 74 HG2 PRO 17 HG2 PRO 17 -17.237 -3.217 2.838 75 HG3 PRO 17 HG3 PRO 17 -16.384 -2.427 4.191 76 HD2 PRO 17 HD2 PRO 17 -15.823 -4.961 3.504 77 HD3 PRO 17 HD3 PRO 17 -15.886 -4.470 5.229 78 H ILE 18 H ILE 18 -21.147 -3.731 4.115 79 HA ILE 18 HA ILE 18 -21.437 -4.773 1.330 80 HB ILE 18 HB ILE 18 -23.467 -3.706 3.343 81 HG12 ILE 18 HG12 ILE 18 -23.204 -6.560 2.444 82 HG13 ILE 18 HG13 ILE 18 -22.154 -5.930 3.728 83 HG21 ILE 18 HG21 ILE 18 -24.220 -3.425 1.000 84 HG22 ILE 18 HG22 ILE 18 -25.178 -4.660 1.850 85 HG23 ILE 18 HG23 ILE 18 -23.913 -5.152 0.698 86 HD11 ILE 18 HD11 ILE 18 -25.041 -5.389 3.965 87 HD12 ILE 18 HD12 ILE 18 -23.828 -5.780 5.207 88 HD13 ILE 18 HD13 ILE 18 -24.501 -7.071 4.182 89 HA PRO 19 HA PRO 19 -20.823 -0.402 0.939 90 HB2 PRO 19 HB2 PRO 19 -19.887 -0.883 -1.769 91 HB3 PRO 19 HB3 PRO 19 -18.996 -0.286 -0.342 92 HG2 PRO 19 HG2 PRO 19 -18.564 -2.704 -1.439 93 HG3 PRO 19 HG3 PRO 19 -18.386 -2.391 0.312 94 HD2 PRO 19 HD2 PRO 19 -20.694 -3.606 -1.185 95 HD3 PRO 19 HD3 PRO 19 -19.907 -4.133 0.339 96 H LEU 20 H LEU 20 -22.544 0.812 0.651 97 HA LEU 20 HA LEU 20 -24.401 0.227 -1.580 98 HB2 LEU 20 HB2 LEU 20 -24.960 1.627 1.085 99 HB3 LEU 20 HB3 LEU 20 -26.143 1.365 -0.205 100 HG LEU 20 HG LEU 20 -24.804 -0.751 1.505 101 HD11 LEU 20 HD11 LEU 20 -27.108 -1.116 2.307 102 HD12 LEU 20 HD12 LEU 20 -26.548 0.542 2.628 103 HD13 LEU 20 HD13 LEU 20 -27.669 0.226 1.281 104 HD21 LEU 20 HD21 LEU 20 -26.233 -2.333 0.307 105 HD22 LEU 20 HD22 LEU 20 -25.082 -1.522 -0.782 106 HD23 LEU 20 HD23 LEU 20 -26.789 -1.018 -0.756 107 H ALA 21 H ALA 21 -24.946 1.820 -2.976 108 HA ALA 21 HA ALA 21 -23.500 4.309 -2.907 109 HB1 ALA 21 HB1 ALA 21 -24.996 4.990 -4.710 110 HB2 ALA 21 HB2 ALA 21 -24.323 3.361 -4.959 111 HB3 ALA 21 HB3 ALA 21 -26.002 3.555 -4.401 112 H VAL 22 H VAL 22 -23.895 6.175 -1.838 113 HA VAL 22 HA VAL 22 -26.609 6.622 -0.668 114 HB VAL 22 HB VAL 22 -23.955 6.978 0.839 115 HG11 VAL 22 HG11 VAL 22 -25.591 8.801 1.359 116 HG12 VAL 22 HG12 VAL 22 -26.818 7.574 1.758 117 HG13 VAL 22 HG13 VAL 22 -25.350 7.722 2.754 118 HG21 VAL 22 HG21 VAL 22 -24.760 4.639 0.752 119 HG22 VAL 22 HG22 VAL 22 -24.864 5.313 2.396 120 HG23 VAL 22 HG23 VAL 22 -26.332 5.165 1.401 121 H ALA 23 H ALA 23 -27.325 8.709 -0.797 122 HA ALA 23 HA ALA 23 -25.981 10.372 -2.699 123 HB1 ALA 23 HB1 ALA 23 -27.576 12.105 -1.983 124 HB2 ALA 23 HB2 ALA 23 -28.363 10.528 -2.230 125 HB3 ALA 23 HB3 ALA 23 -28.019 11.102 -0.581 126 H GLY 24 H GLY 24 -24.694 12.082 -2.587 127 HA2 GLY 24 HA2 GLY 24 -23.394 13.757 -1.555 128 HA3 GLY 24 HA3 GLY 24 -23.767 13.076 0.033 129 H HIS 25 H HIS 25 -22.892 10.394 -1.180 130 HA HIS 25 HA HIS 25 -20.093 10.606 -0.278 131 HB2 HIS 25 HB2 HIS 25 -21.886 8.244 -0.938 132 HB3 HIS 25 HB3 HIS 25 -20.182 8.095 -0.466 133 HD1 HIS 25 HD1 HIS 25 -23.221 9.936 0.942 134 HD2 HIS 25 HD2 HIS 25 -19.943 7.663 2.155 135 HE1 HIS 25 HE1 HIS 25 -23.311 9.823 3.471 136 H HIS 26 H HIS 26 -18.304 9.798 -1.595 137 HA HIS 26 HA HIS 26 -19.030 9.805 -4.452 138 HB2 HIS 26 HB2 HIS 26 -16.717 10.569 -4.905 139 HB3 HIS 26 HB3 HIS 26 -17.631 11.689 -3.874 140 HD1 HIS 26 HD1 HIS 26 -16.827 12.058 -1.491 141 HD2 HIS 26 HD2 HIS 26 -14.613 9.163 -3.556 142 HE1 HIS 26 HE1 HIS 26 -14.948 11.367 0.042 143 H GLN 27 H GLN 27 -17.908 7.691 -2.013 144 HA GLN 27 HA GLN 27 -17.871 5.719 -4.181 145 HB2 GLN 27 HB2 GLN 27 -16.095 4.519 -3.281 146 HB3 GLN 27 HB3 GLN 27 -15.569 6.208 -3.310 147 HG2 GLN 27 HG2 GLN 27 -15.860 6.443 -1.033 148 HG3 GLN 27 HG3 GLN 27 -16.708 4.896 -0.903 149 HE21 GLN 27 HE21 GLN 27 -14.980 3.167 -2.359 150 HE22 GLN 27 HE22 GLN 27 -13.422 3.092 -1.566 151 HA PRO 28 HA PRO 28 -21.123 4.123 -1.893 152 HB2 PRO 28 HB2 PRO 28 -20.122 1.380 -1.558 153 HB3 PRO 28 HB3 PRO 28 -21.443 1.975 -2.600 154 HG2 PRO 28 HG2 PRO 28 -18.863 1.185 -3.304 155 HG3 PRO 28 HG3 PRO 28 -20.151 1.845 -4.335 156 HD2 PRO 28 HD2 PRO 28 -17.675 3.061 -3.625 157 HD3 PRO 28 HD3 PRO 28 -19.016 3.783 -4.567 158 H ALA 29 H ALA 29 -21.816 3.828 0.225 159 HA ALA 29 HA ALA 29 -19.857 4.275 2.309 160 HB1 ALA 29 HB1 ALA 29 -22.040 4.266 3.732 161 HB2 ALA 29 HB2 ALA 29 -22.846 4.220 2.164 162 HB3 ALA 29 HB3 ALA 29 -21.786 5.567 2.570 163 HA PRO 30 HA PRO 30 -19.658 -0.118 3.137 164 HB2 PRO 30 HB2 PRO 30 -18.143 0.083 5.531 165 HB3 PRO 30 HB3 PRO 30 -17.453 0.021 3.880 166 HG2 PRO 30 HG2 PRO 30 -17.905 2.269 5.690 167 HG3 PRO 30 HG3 PRO 30 -16.713 2.062 4.393 168 HD2 PRO 30 HD2 PRO 30 -18.868 3.686 4.357 169 HD3 PRO 30 HD3 PRO 30 -17.980 3.086 2.922 170 H PHE 31 H PHE 31 -21.674 -0.899 3.817 171 HA PHE 31 HA PHE 31 -22.579 -0.241 6.558 172 HB2 PHE 31 HB2 PHE 31 -23.891 -1.570 4.179 173 HB3 PHE 31 HB3 PHE 31 -24.569 -1.732 5.808 174 HD1 PHE 31 HD1 PHE 31 -23.402 0.996 3.388 175 HD2 PHE 31 HD2 PHE 31 -25.990 -0.101 6.645 176 HE1 PHE 31 HE1 PHE 31 -24.584 3.122 3.249 177 HE2 PHE 31 HE2 PHE 31 -27.209 2.011 6.340 178 HZ PHE 31 HZ PHE 31 -26.457 3.646 4.649 179 H TYR 32 H TYR 32 -22.666 -1.548 8.158 180 HA TYR 32 HA TYR 32 -21.786 -4.366 7.765 181 HB2 TYR 32 HB2 TYR 32 -21.827 -2.566 10.218 182 HB3 TYR 32 HB3 TYR 32 -21.422 -4.292 10.270 183 HD1 TYR 32 HD1 TYR 32 -20.372 -1.021 9.203 184 HD2 TYR 32 HD2 TYR 32 -19.297 -5.067 9.320 185 HE1 TYR 32 HE1 TYR 32 -18.237 -0.460 8.209 186 HE2 TYR 32 HE2 TYR 32 -17.031 -4.480 8.563 187 HH TYR 32 HH TYR 32 -16.268 -1.217 7.539 188 H LEU 33 H LEU 33 -24.428 -2.360 9.166 189 HA LEU 33 HA LEU 33 -26.064 -4.907 9.138 190 HB2 LEU 33 HB2 LEU 33 -26.587 -2.385 10.741 191 HB3 LEU 33 HB3 LEU 33 -27.595 -3.837 10.732 192 HG LEU 33 HG LEU 33 -24.783 -3.615 11.803 193 HD11 LEU 33 HD11 LEU 33 -25.989 -3.895 13.965 194 HD12 LEU 33 HD12 LEU 33 -26.542 -2.438 13.104 195 HD13 LEU 33 HD13 LEU 33 -27.540 -3.913 13.091 196 HD21 LEU 33 HD21 LEU 33 -25.277 -5.912 10.977 197 HD22 LEU 33 HD22 LEU 33 -25.250 -5.861 12.756 198 HD23 LEU 33 HD23 LEU 33 -26.805 -5.906 11.890 199 H THR 34 H THR 34 -27.556 -4.964 7.614 200 HA THR 34 HA THR 34 -28.587 -2.374 6.604 201 HB THR 34 HB THR 34 -28.982 -3.432 4.416 202 HG1 THR 34 HG1 THR 34 -29.005 -5.645 5.191 203 HG21 THR 34 HG21 THR 34 -26.742 -3.628 3.661 204 HG22 THR 34 HG22 THR 34 -26.934 -2.248 4.767 205 HG23 THR 34 HG23 THR 34 -26.173 -3.750 5.343 206 H ALA 35 H ALA 35 -30.795 -2.481 5.714 207 HA ALA 35 HA ALA 35 -32.480 -3.376 7.802 208 HB1 ALA 35 HB1 ALA 35 -32.909 -2.230 5.059 209 HB2 ALA 35 HB2 ALA 35 -33.183 -1.488 6.654 210 HB3 ALA 35 HB3 ALA 35 -34.288 -2.750 6.058 211 H ASP 36 H ASP 36 -31.409 -4.960 4.976 212 HA ASP 36 HA ASP 36 -33.693 -6.821 4.976 213 HB2 ASP 36 HB2 ASP 36 -32.882 -7.750 2.901 214 HB3 ASP 36 HB3 ASP 36 -33.139 -6.000 2.816 215 H MET 37 H MET 37 -30.854 -6.749 6.626 216 HA MET 37 HA MET 37 -30.205 -9.559 6.407 217 HB2 MET 37 HB2 MET 37 -29.467 -7.377 8.384 218 HB3 MET 37 HB3 MET 37 -28.917 -9.056 8.577 219 HG2 MET 37 HG2 MET 37 -27.791 -8.998 6.460 220 HG3 MET 37 HG3 MET 37 -28.485 -7.415 6.070 221 HE1 MET 37 HE1 MET 37 -24.698 -8.373 7.316 222 HE2 MET 37 HE2 MET 37 -25.440 -7.848 5.786 223 HE3 MET 37 HE3 MET 37 -24.593 -6.668 6.815 224 H PHE 38 H PHE 38 -30.572 -11.241 7.721 225 HA PHE 38 HA PHE 38 -31.685 -12.592 9.105 226 HB2 PHE 38 HB2 PHE 38 -31.593 -10.252 11.000 227 HB3 PHE 38 HB3 PHE 38 -31.858 -11.949 11.430 228 HD1 PHE 38 HD1 PHE 38 -29.410 -9.427 11.358 229 HD2 PHE 38 HD2 PHE 38 -29.776 -13.476 10.129 230 HE1 PHE 38 HE1 PHE 38 -27.024 -9.796 11.654 231 HE2 PHE 38 HE2 PHE 38 -27.357 -13.740 10.233 232 HZ PHE 38 HZ PHE 38 -25.944 -11.859 10.912 233 H GLY 39 H GLY 39 -33.315 -11.412 7.276 234 HA2 GLY 39 HA2 GLY 39 -35.656 -11.573 6.912 235 HA3 GLY 39 HA3 GLY 39 -35.879 -11.852 8.636 236 H GLY 40 H GLY 40 -34.201 -9.090 8.440 237 HA2 GLY 40 HA2 GLY 40 -35.182 -6.968 7.682 238 HA3 GLY 40 HA3 GLY 40 -36.659 -7.520 8.495 239 H LEU 41 H LEU 41 -34.009 -5.578 8.783 240 HA LEU 41 HA LEU 41 -34.074 -5.741 11.753 241 HB2 LEU 41 HB2 LEU 41 -32.026 -4.412 9.955 242 HB3 LEU 41 HB3 LEU 41 -31.998 -4.394 11.719 243 HG LEU 41 HG LEU 41 -31.603 -6.820 9.933 244 HD11 LEU 41 HD11 LEU 41 -29.331 -6.711 10.877 245 HD12 LEU 41 HD12 LEU 41 -29.735 -5.205 10.018 246 HD13 LEU 41 HD13 LEU 41 -29.782 -5.255 11.796 247 HD21 LEU 41 HD21 LEU 41 -31.131 -7.959 12.069 248 HD22 LEU 41 HD22 LEU 41 -32.796 -7.330 12.038 249 HD23 LEU 41 HD23 LEU 41 -31.536 -6.469 12.954 250 HA PRO 42 HA PRO 42 -35.907 -1.848 11.750 251 HB2 PRO 42 HB2 PRO 42 -35.841 -1.217 14.335 252 HB3 PRO 42 HB3 PRO 42 -36.661 -2.703 13.761 253 HG2 PRO 42 HG2 PRO 42 -33.842 -2.406 14.820 254 HG3 PRO 42 HG3 PRO 42 -35.134 -3.499 15.401 255 HD2 PRO 42 HD2 PRO 42 -33.252 -4.320 13.626 256 HD3 PRO 42 HD3 PRO 42 -34.944 -4.901 13.546 257 H VAL 43 H VAL 43 -32.628 -2.063 12.078 258 HA VAL 43 HA VAL 43 -32.286 0.871 11.795 259 HB VAL 43 HB VAL 43 -30.326 0.881 13.253 260 HG11 VAL 43 HG11 VAL 43 -32.486 1.547 14.219 261 HG12 VAL 43 HG12 VAL 43 -31.421 0.788 15.426 262 HG13 VAL 43 HG13 VAL 43 -32.771 -0.136 14.725 263 HG21 VAL 43 HG21 VAL 43 -29.887 -1.012 14.750 264 HG22 VAL 43 HG22 VAL 43 -31.175 -1.937 13.940 265 HG23 VAL 43 HG23 VAL 43 -29.721 -1.454 13.033 266 H GLN 44 H GLN 44 -30.191 1.367 10.832 267 HA GLN 44 HA GLN 44 -28.769 -0.973 9.670 268 HB2 GLN 44 HB2 GLN 44 -29.074 1.713 8.288 269 HB3 GLN 44 HB3 GLN 44 -28.287 0.250 7.652 270 HG2 GLN 44 HG2 GLN 44 -30.559 -0.927 7.952 271 HG3 GLN 44 HG3 GLN 44 -31.246 0.685 8.224 272 HE21 GLN 44 HE21 GLN 44 -29.846 -1.481 5.825 273 HE22 GLN 44 HE22 GLN 44 -30.177 -0.475 4.433 274 H LEU 45 H LEU 45 -26.400 -0.429 9.210 275 HA LEU 45 HA LEU 45 -25.360 1.712 10.929 276 HB2 LEU 45 HB2 LEU 45 -25.743 -0.289 12.402 277 HB3 LEU 45 HB3 LEU 45 -24.598 -1.180 11.397 278 HG LEU 45 HG LEU 45 -23.734 1.363 12.757 279 HD11 LEU 45 HD11 LEU 45 -24.818 -0.033 14.466 280 HD12 LEU 45 HD12 LEU 45 -23.762 -1.392 14.013 281 HD13 LEU 45 HD13 LEU 45 -23.059 0.086 14.713 282 HD21 LEU 45 HD21 LEU 45 -22.268 0.340 11.121 283 HD22 LEU 45 HD22 LEU 45 -21.583 0.308 12.764 284 HD23 LEU 45 HD23 LEU 45 -22.285 -1.170 12.064 285 H ALA 46 H ALA 46 -23.700 2.627 9.965 286 HA ALA 46 HA ALA 46 -22.037 0.995 8.161 287 HB1 ALA 46 HB1 ALA 46 -22.219 2.496 6.366 288 HB2 ALA 46 HB2 ALA 46 -22.819 3.805 7.390 289 HB3 ALA 46 HB3 ALA 46 -23.872 2.445 6.978 290 H GLY 47 H GLY 47 -19.908 1.738 7.807 291 HA2 GLY 47 HA2 GLY 47 -18.862 4.132 8.729 292 HA3 GLY 47 HA3 GLY 47 -18.971 3.152 10.202 293 H GLY 48 H GLY 48 -16.662 3.528 10.240 294 HA2 GLY 48 HA2 GLY 48 -15.232 1.272 9.410 295 HA3 GLY 48 HA3 GLY 48 -14.998 2.529 8.207 296 H GLU 49 H GLU 49 -12.882 1.760 9.120 297 HA GLU 49 HA GLU 49 -11.936 2.993 11.561 298 HB2 GLU 49 HB2 GLU 49 -11.323 0.738 10.391 299 HB3 GLU 49 HB3 GLU 49 -10.265 1.754 9.402 300 HG2 GLU 49 HG2 GLU 49 -10.070 2.103 12.331 301 HG3 GLU 49 HG3 GLU 49 -9.496 0.562 11.678 302 H LEU 50 H LEU 50 -10.817 5.018 11.649 303 HA LEU 50 HA LEU 50 -10.623 6.367 9.045 304 HB2 LEU 50 HB2 LEU 50 -10.527 8.092 11.413 305 HB3 LEU 50 HB3 LEU 50 -11.321 8.328 9.865 306 HG LEU 50 HG LEU 50 -12.753 6.191 10.757 307 HD11 LEU 50 HD11 LEU 50 -11.304 6.323 12.812 308 HD12 LEU 50 HD12 LEU 50 -13.030 6.299 13.087 309 HD13 LEU 50 HD13 LEU 50 -12.147 7.805 13.219 310 HD21 LEU 50 HD21 LEU 50 -14.457 7.644 11.299 311 HD22 LEU 50 HD22 LEU 50 -13.583 8.457 10.028 312 HD23 LEU 50 HD23 LEU 50 -13.389 8.973 11.710 313 H SER 51 H SER 51 -8.369 4.806 10.622 314 HA SER 51 HA SER 51 -6.496 6.885 11.140 315 HB2 SER 51 HB2 SER 51 -4.684 5.264 10.933 316 HB3 SER 51 HB3 SER 51 -6.048 4.511 11.800 317 HG SER 51 HG SER 51 -4.963 3.895 9.375 318 H THR 52 H THR 52 -7.483 5.502 7.993 319 HA THR 52 HA THR 52 -5.288 7.068 6.715 320 HB THR 52 HB THR 52 -6.001 6.081 4.595 321 HG1 THR 52 HG1 THR 52 -8.116 4.887 6.070 322 HG21 THR 52 HG21 THR 52 -5.659 3.745 5.055 323 HG22 THR 52 HG22 THR 52 -4.546 4.791 5.969 324 HG23 THR 52 HG23 THR 52 -5.944 4.051 6.785 325 H LEU 53 H LEU 53 -8.440 7.863 7.691 326 HA LEU 53 HA LEU 53 -9.042 9.511 5.352 327 HB2 LEU 53 HB2 LEU 53 -10.618 8.925 7.830 328 HB3 LEU 53 HB3 LEU 53 -11.222 9.779 6.424 329 HG LEU 53 HG LEU 53 -10.156 6.946 6.365 330 HD11 LEU 53 HD11 LEU 53 -12.460 6.236 6.324 331 HD12 LEU 53 HD12 LEU 53 -13.019 7.912 6.321 332 HD13 LEU 53 HD13 LEU 53 -12.212 7.252 7.740 333 HD21 LEU 53 HD21 LEU 53 -11.475 8.790 4.372 334 HD22 LEU 53 HD22 LEU 53 -11.577 7.038 4.194 335 HD23 LEU 53 HD23 LEU 53 -9.999 7.826 4.207 336 H VAL 54 H VAL 54 -7.053 10.279 7.794 337 HA VAL 54 HA VAL 54 -8.394 12.503 9.048 338 HB VAL 54 HB VAL 54 -5.434 11.926 8.672 339 HG11 VAL 54 HG11 VAL 54 -5.827 14.300 9.075 340 HG12 VAL 54 HG12 VAL 54 -6.752 13.892 10.539 341 HG13 VAL 54 HG13 VAL 54 -5.016 13.510 10.448 342 HG21 VAL 54 HG21 VAL 54 -5.551 11.144 11.034 343 HG22 VAL 54 HG22 VAL 54 -7.308 11.426 11.025 344 HG23 VAL 54 HG23 VAL 54 -6.600 10.191 9.957 345 H GLY 55 H GLY 55 -8.897 14.353 8.185 346 HA2 GLY 55 HA2 GLY 55 -8.713 16.237 6.797 347 HA3 GLY 55 HA3 GLY 55 -7.209 15.579 6.132 348 H LYS 56 H LYS 56 -9.805 13.316 5.936 349 HA LYS 56 HA LYS 56 -10.270 14.107 3.066 350 HB2 LYS 56 HB2 LYS 56 -9.648 11.342 4.149 351 HB3 LYS 56 HB3 LYS 56 -10.110 11.701 2.477 352 HG2 LYS 56 HG2 LYS 56 -8.072 13.201 2.382 353 HG3 LYS 56 HG3 LYS 56 -7.588 12.469 3.931 354 HD2 LYS 56 HD2 LYS 56 -8.113 10.198 2.627 355 HD3 LYS 56 HD3 LYS 56 -7.802 11.211 1.199 356 HE2 LYS 56 HE2 LYS 56 -5.868 11.195 3.543 357 HE3 LYS 56 HE3 LYS 56 -5.779 9.946 2.276 358 HZ1 LYS 56 HZ1 LYS 56 -4.385 11.849 1.750 359 HZ2 LYS 56 HZ2 LYS 56 -5.597 11.712 0.640 360 HZ3 LYS 56 HZ3 LYS 56 -5.680 12.869 1.812 361 HA PRO 57 HA PRO 57 -14.176 13.274 5.107 362 HB2 PRO 57 HB2 PRO 57 -15.859 14.807 3.587 363 HB3 PRO 57 HB3 PRO 57 -14.764 15.543 4.799 364 HG2 PRO 57 HG2 PRO 57 -14.327 15.175 1.807 365 HG3 PRO 57 HG3 PRO 57 -14.156 16.663 2.784 366 HD2 PRO 57 HD2 PRO 57 -12.011 15.175 2.164 367 HD3 PRO 57 HD3 PRO 57 -12.159 15.928 3.784 368 H VAL 58 H VAL 58 -15.830 11.711 4.620 369 HA VAL 58 HA VAL 58 -15.536 10.444 2.005 370 HB VAL 58 HB VAL 58 -17.598 9.084 3.402 371 HG11 VAL 58 HG11 VAL 58 -16.012 7.279 3.495 372 HG12 VAL 58 HG12 VAL 58 -14.647 8.385 3.370 373 HG13 VAL 58 HG13 VAL 58 -15.717 8.141 1.989 374 HG21 VAL 58 HG21 VAL 58 -16.716 8.738 5.590 375 HG22 VAL 58 HG22 VAL 58 -16.823 10.480 5.346 376 HG23 VAL 58 HG23 VAL 58 -15.251 9.660 5.219 377 H ALA 59 H ALA 59 -17.638 12.867 3.339 378 HA ALA 59 HA ALA 59 -19.242 12.553 0.891 379 HB1 ALA 59 HB1 ALA 59 -20.414 11.180 2.566 380 HB2 ALA 59 HB2 ALA 59 -21.363 12.605 2.079 381 HB3 ALA 59 HB3 ALA 59 -20.510 12.596 3.641 382 H ALA 60 H ALA 60 -20.518 14.277 0.405 383 HA ALA 60 HA ALA 60 -19.835 16.903 1.580 384 HB1 ALA 60 HB1 ALA 60 -20.739 15.945 -0.928 385 HB2 ALA 60 HB2 ALA 60 -20.499 17.643 -0.451 386 HB3 ALA 60 HB3 ALA 60 -22.095 16.881 -0.255 387 HA PRO 61 HA PRO 61 -23.340 17.253 4.284 388 HB2 PRO 61 HB2 PRO 61 -24.375 19.534 2.593 389 HB3 PRO 61 HB3 PRO 61 -24.128 19.455 4.362 390 HG2 PRO 61 HG2 PRO 61 -22.509 20.755 2.877 391 HG3 PRO 61 HG3 PRO 61 -21.890 19.690 4.171 392 HD2 PRO 61 HD2 PRO 61 -22.016 19.181 1.177 393 HD3 PRO 61 HD3 PRO 61 -20.670 18.887 2.323 394 H HIS 62 H HIS 62 -25.056 16.042 4.410 395 HA HIS 62 HA HIS 62 -26.914 15.882 2.198 396 HB2 HIS 62 HB2 HIS 62 -26.589 13.703 1.529 397 HB3 HIS 62 HB3 HIS 62 -24.935 14.199 1.847 398 HD1 HIS 62 HD1 HIS 62 -26.806 11.361 2.220 399 HD2 HIS 62 HD2 HIS 62 -24.570 13.538 4.983 400 HE1 HIS 62 HE1 HIS 62 -26.140 9.731 4.039 401 H THR 63 H THR 63 -28.518 13.957 2.809 402 HA THR 63 HA THR 63 -29.203 14.322 5.661 403 HB THR 63 HB THR 63 -31.510 14.890 5.162 404 HG1 THR 63 HG1 THR 63 -31.633 13.644 3.189 405 HG21 THR 63 HG21 THR 63 -31.333 17.026 4.050 406 HG22 THR 63 HG22 THR 63 -29.716 16.585 3.451 407 HG23 THR 63 HG23 THR 63 -29.997 16.774 5.198 408 H HIS 64 H HIS 64 -31.066 12.914 6.351 409 HA HIS 64 HA HIS 64 -31.598 10.609 4.629 410 HB2 HIS 64 HB2 HIS 64 -31.269 9.547 7.331 411 HB3 HIS 64 HB3 HIS 64 -30.533 8.988 5.817 412 HD1 HIS 64 HD1 HIS 64 -30.136 11.504 8.532 413 HD2 HIS 64 HD2 HIS 64 -28.035 9.949 5.313 414 HE1 HIS 64 HE1 HIS 64 -27.882 12.603 8.568 415 HA PRO 65 HA PRO 65 -35.391 11.469 6.283 416 HB2 PRO 65 HB2 PRO 65 -36.818 9.197 5.826 417 HB3 PRO 65 HB3 PRO 65 -36.091 10.096 4.457 418 HG2 PRO 65 HG2 PRO 65 -34.966 7.700 5.936 419 HG3 PRO 65 HG3 PRO 65 -35.224 7.916 4.175 420 HD2 PRO 65 HD2 PRO 65 -32.810 8.458 5.300 421 HD3 PRO 65 HD3 PRO 65 -33.465 9.461 3.970 422 H VAL 66 H VAL 66 -33.368 9.487 7.997 423 HA VAL 66 HA VAL 66 -35.320 9.184 10.208 424 HB VAL 66 HB VAL 66 -34.203 7.086 10.870 425 HG11 VAL 66 HG11 VAL 66 -35.241 5.680 9.118 426 HG12 VAL 66 HG12 VAL 66 -36.269 7.052 9.593 427 HG13 VAL 66 HG13 VAL 66 -35.357 7.111 8.065 428 HG21 VAL 66 HG21 VAL 66 -32.025 7.427 9.800 429 HG22 VAL 66 HG22 VAL 66 -32.782 7.240 8.200 430 HG23 VAL 66 HG23 VAL 66 -32.748 5.869 9.335 431 H ASP 67 H ASP 67 -34.210 9.153 12.274 432 HA ASP 67 HA ASP 67 -32.058 11.062 12.467 433 HB2 ASP 67 HB2 ASP 67 -33.106 9.011 14.447 434 HB3 ASP 67 HB3 ASP 67 -31.890 10.239 14.828 435 H GLU 68 H GLU 68 -29.812 10.642 12.957 436 HA GLU 68 HA GLU 68 -28.966 7.838 12.960 437 HB2 GLU 68 HB2 GLU 68 -27.231 8.075 11.309 438 HB3 GLU 68 HB3 GLU 68 -28.741 8.609 10.603 439 HG2 GLU 68 HG2 GLU 68 -28.108 10.934 11.033 440 HG3 GLU 68 HG3 GLU 68 -26.525 10.395 11.622 441 H LEU 69 H LEU 69 -27.395 7.361 14.252 442 HA LEU 69 HA LEU 69 -26.360 9.603 16.005 443 HB2 LEU 69 HB2 LEU 69 -26.326 6.637 16.555 444 HB3 LEU 69 HB3 LEU 69 -25.996 7.951 17.696 445 HG LEU 69 HG LEU 69 -28.647 7.276 16.409 446 HD11 LEU 69 HD11 LEU 69 -28.023 5.739 18.214 447 HD12 LEU 69 HD12 LEU 69 -27.894 7.125 19.322 448 HD13 LEU 69 HD13 LEU 69 -29.464 6.715 18.589 449 HD21 LEU 69 HD21 LEU 69 -28.345 9.694 16.688 450 HD22 LEU 69 HD22 LEU 69 -28.083 9.440 18.430 451 HD23 LEU 69 HD23 LEU 69 -29.652 9.029 17.697 452 H TYR 70 H TYR 70 -24.250 10.121 15.634 453 HA TYR 70 HA TYR 70 -22.474 8.171 14.378 454 HB2 TYR 70 HB2 TYR 70 -22.074 10.962 15.483 455 HB3 TYR 70 HB3 TYR 70 -20.728 9.933 14.982 456 HD1 TYR 70 HD1 TYR 70 -22.147 12.706 13.890 457 HD2 TYR 70 HD2 TYR 70 -21.644 8.732 12.480 458 HE1 TYR 70 HE1 TYR 70 -22.308 13.493 11.546 459 HE2 TYR 70 HE2 TYR 70 -21.702 9.570 10.182 460 HH TYR 70 HH TYR 70 -23.007 11.688 9.034 461 H LEU 71 H LEU 71 -21.134 6.862 15.429 462 HA LEU 71 HA LEU 71 -20.585 7.354 18.349 463 HB2 LEU 71 HB2 LEU 71 -21.866 5.314 18.010 464 HB3 LEU 71 HB3 LEU 71 -20.827 4.837 16.667 465 HG LEU 71 HG LEU 71 -18.987 4.460 18.191 466 HD11 LEU 71 HD11 LEU 71 -19.360 4.499 20.609 467 HD12 LEU 71 HD12 LEU 71 -19.510 6.100 19.846 468 HD13 LEU 71 HD13 LEU 71 -20.970 5.203 20.327 469 HD21 LEU 71 HD21 LEU 71 -20.481 2.555 17.671 470 HD22 LEU 71 HD22 LEU 71 -21.456 2.943 19.108 471 HD23 LEU 71 HD23 LEU 71 -19.761 2.432 19.294 472 H LEU 72 H LEU 72 -18.529 7.892 18.690 473 HA LEU 72 HA LEU 72 -16.447 7.155 16.661 474 HB2 LEU 72 HB2 LEU 72 -16.976 9.567 16.765 475 HB3 LEU 72 HB3 LEU 72 -16.685 9.553 18.510 476 HG LEU 72 HG LEU 72 -14.379 8.826 18.029 477 HD11 LEU 72 HD11 LEU 72 -13.462 9.296 15.789 478 HD12 LEU 72 HD12 LEU 72 -15.111 9.595 15.188 479 HD13 LEU 72 HD13 LEU 72 -14.655 7.975 15.770 480 HD21 LEU 72 HD21 LEU 72 -14.942 11.190 18.628 481 HD22 LEU 72 HD22 LEU 72 -15.136 11.565 16.899 482 HD23 LEU 72 HD23 LEU 72 -13.544 11.083 17.532 483 H VAL 73 H VAL 73 -15.003 5.742 17.430 484 HA VAL 73 HA VAL 73 -14.338 5.803 20.343 485 HB VAL 73 HB VAL 73 -14.180 3.358 20.402 486 HG11 VAL 73 HG11 VAL 73 -16.596 2.878 20.477 487 HG12 VAL 73 HG12 VAL 73 -16.911 4.405 19.618 488 HG13 VAL 73 HG13 VAL 73 -16.183 4.432 21.242 489 HG21 VAL 73 HG21 VAL 73 -15.191 1.966 18.604 490 HG22 VAL 73 HG22 VAL 73 -15.414 3.428 17.614 491 HG23 VAL 73 HG23 VAL 73 -13.774 2.878 18.033 492 H SER 74 H SER 74 -12.183 5.003 20.881 493 HA SER 74 HA SER 74 -10.445 4.186 18.713 494 HB2 SER 74 HB2 SER 74 -10.515 6.851 18.934 495 HB3 SER 74 HB3 SER 74 -9.507 6.549 20.360 496 HG SER 74 HG SER 74 -8.928 6.108 17.627 497 HA PRO 75 HA PRO 75 -8.923 1.835 21.931 498 HB2 PRO 75 HB2 PRO 75 -6.129 2.324 20.902 499 HB3 PRO 75 HB3 PRO 75 -6.925 0.785 21.338 500 HG2 PRO 75 HG2 PRO 75 -6.648 1.523 18.821 501 HG3 PRO 75 HG3 PRO 75 -8.138 0.719 19.389 502 HD2 PRO 75 HD2 PRO 75 -7.686 3.611 18.658 503 HD3 PRO 75 HD3 PRO 75 -9.172 2.620 18.528 504 H ASN 76 H ASN 76 -6.988 4.758 21.517 505 HA ASN 76 HA ASN 76 -6.666 4.874 24.472 506 HB2 ASN 76 HB2 ASN 76 -5.544 6.467 22.126 507 HB3 ASN 76 HB3 ASN 76 -5.277 6.926 23.820 508 HD21 ASN 76 HD21 ASN 76 -4.081 5.156 21.230 509 HD22 ASN 76 HD22 ASN 76 -2.972 4.137 22.121 510 H LYS 77 H LYS 77 -7.736 6.319 25.727 511 HA LYS 77 HA LYS 77 -10.014 7.679 24.914 512 HB2 LYS 77 HB2 LYS 77 -9.346 7.296 27.326 513 HB3 LYS 77 HB3 LYS 77 -8.166 8.614 27.152 514 HG2 LYS 77 HG2 LYS 77 -9.893 10.218 26.709 515 HG3 LYS 77 HG3 LYS 77 -11.120 8.958 26.521 516 HD2 LYS 77 HD2 LYS 77 -10.908 8.442 28.960 517 HD3 LYS 77 HD3 LYS 77 -9.746 9.769 29.120 518 HE2 LYS 77 HE2 LYS 77 -11.996 10.365 29.868 519 HE3 LYS 77 HE3 LYS 77 -11.412 11.391 28.563 520 HZ1 LYS 77 HZ1 LYS 77 -13.284 9.192 27.953 521 HZ2 LYS 77 HZ2 LYS 77 -13.056 10.611 27.145 522 HZ3 LYS 77 HZ3 LYS 77 -13.858 10.603 28.586 523 H GLY 78 H GLY 78 -10.432 9.475 23.806 524 HA2 GLY 78 HA2 GLY 78 -10.038 11.434 22.640 525 HA3 GLY 78 HA3 GLY 78 -8.607 11.691 23.641 526 H GLY 79 H GLY 79 -8.578 8.749 21.865 527 HA2 GLY 79 HA2 GLY 79 -6.347 9.539 20.294 528 HA3 GLY 79 HA3 GLY 79 -7.258 8.035 20.174 529 H ALA 80 H ALA 80 -9.692 9.793 19.626 530 HA ALA 80 HA ALA 80 -8.999 10.596 16.883 531 HB1 ALA 80 HB1 ALA 80 -11.664 9.365 17.096 532 HB2 ALA 80 HB2 ALA 80 -10.382 9.128 15.884 533 HB3 ALA 80 HB3 ALA 80 -10.329 8.234 17.422 534 H ARG 81 H ARG 81 -10.094 12.260 15.975 535 HA ARG 81 HA ARG 81 -12.292 13.458 17.544 536 HB2 ARG 81 HB2 ARG 81 -10.370 14.726 18.267 537 HB3 ARG 81 HB3 ARG 81 -9.804 14.934 16.603 538 HG2 ARG 81 HG2 ARG 81 -11.833 16.273 16.142 539 HG3 ARG 81 HG3 ARG 81 -12.256 16.144 17.865 540 HD2 ARG 81 HD2 ARG 81 -9.550 17.202 16.927 541 HD3 ARG 81 HD3 ARG 81 -10.956 18.263 17.133 542 HE ARG 81 HE ARG 81 -9.288 17.141 19.184 543 HH11 ARG 81 HH11 ARG 81 -9.754 17.427 21.306 544 HH12 ARG 81 HH12 ARG 81 -11.206 18.265 21.804 545 HH21 ARG 81 HH21 ARG 81 -12.466 18.696 18.582 546 HH22 ARG 81 HH22 ARG 81 -12.716 18.968 20.292 547 H ILE 82 H ILE 82 -13.979 14.173 16.238 548 HA ILE 82 HA ILE 82 -13.313 14.567 13.392 549 HB ILE 82 HB ILE 82 -15.341 13.679 12.644 550 HG12 ILE 82 HG12 ILE 82 -16.031 12.992 15.495 551 HG13 ILE 82 HG13 ILE 82 -16.802 14.218 14.477 552 HG21 ILE 82 HG21 ILE 82 -15.011 11.262 13.050 553 HG22 ILE 82 HG22 ILE 82 -13.503 12.131 12.680 554 HG23 ILE 82 HG23 ILE 82 -13.870 11.661 14.357 555 HD11 ILE 82 HD11 ILE 82 -18.300 12.479 14.291 556 HD12 ILE 82 HD12 ILE 82 -17.034 11.233 14.393 557 HD13 ILE 82 HD13 ILE 82 -17.253 12.158 12.888 558 H GLU 83 H GLU 83 -14.311 16.182 12.399 559 HA GLU 83 HA GLU 83 -15.988 18.066 13.957 560 HB2 GLU 83 HB2 GLU 83 -14.286 19.160 12.668 561 HB3 GLU 83 HB3 GLU 83 -14.684 18.219 11.216 562 HG2 GLU 83 HG2 GLU 83 -16.963 19.314 11.200 563 HG3 GLU 83 HG3 GLU 83 -16.452 20.328 12.560 564 H VAL 84 H VAL 84 -18.139 18.030 13.818 565 HA VAL 84 HA VAL 84 -19.357 16.760 11.390 566 HB VAL 84 HB VAL 84 -20.503 17.086 14.163 567 HG11 VAL 84 HG11 VAL 84 -22.210 17.322 12.408 568 HG12 VAL 84 HG12 VAL 84 -21.723 15.749 11.733 569 HG13 VAL 84 HG13 VAL 84 -22.430 15.837 13.364 570 HG21 VAL 84 HG21 VAL 84 -20.429 14.645 14.244 571 HG22 VAL 84 HG22 VAL 84 -18.814 15.374 14.081 572 HG23 VAL 84 HG23 VAL 84 -19.601 14.630 12.668 573 H GLN 85 H GLN 85 -20.261 18.207 10.015 574 HA GLN 85 HA GLN 85 -21.210 20.828 11.008 575 HB2 GLN 85 HB2 GLN 85 -21.402 19.510 8.286 576 HB3 GLN 85 HB3 GLN 85 -21.922 21.162 8.657 577 HG2 GLN 85 HG2 GLN 85 -19.139 20.188 9.090 578 HG3 GLN 85 HG3 GLN 85 -19.705 20.864 7.549 579 HE21 GLN 85 HE21 GLN 85 -17.898 21.693 10.052 580 HE22 GLN 85 HE22 GLN 85 -18.348 23.372 10.247 581 H LEU 86 H LEU 86 -23.161 21.192 11.770 582 HA LEU 86 HA LEU 86 -25.304 19.317 10.887 583 HB2 LEU 86 HB2 LEU 86 -24.501 19.326 13.429 584 HB3 LEU 86 HB3 LEU 86 -25.512 20.780 13.503 585 HG LEU 86 HG LEU 86 -27.479 19.605 12.987 586 HD11 LEU 86 HD11 LEU 86 -25.877 17.129 12.239 587 HD12 LEU 86 HD12 LEU 86 -27.647 17.307 12.196 588 HD13 LEU 86 HD13 LEU 86 -26.630 18.251 11.081 589 HD21 LEU 86 HD21 LEU 86 -27.698 18.461 14.873 590 HD22 LEU 86 HD22 LEU 86 -26.013 18.957 15.158 591 HD23 LEU 86 HD23 LEU 86 -26.365 17.349 14.479 592 H ASP 87 H ASP 87 -26.515 20.384 9.465 593 HA ASP 87 HA ASP 87 -27.223 22.236 8.214 594 HB2 ASP 87 HB2 ASP 87 -28.399 22.803 10.928 595 HB3 ASP 87 HB3 ASP 87 -28.894 23.612 9.427 596 H GLY 88 H GLY 88 -24.742 22.598 8.552 597 HA2 GLY 88 HA2 GLY 88 -23.278 24.257 8.091 598 HA3 GLY 88 HA3 GLY 88 -24.517 25.452 8.444 599 H ARG 89 H ARG 89 -24.143 23.553 11.227 600 HA ARG 89 HA ARG 89 -22.311 25.653 12.251 601 HB2 ARG 89 HB2 ARG 89 -24.593 25.568 13.216 602 HB3 ARG 89 HB3 ARG 89 -24.338 23.862 13.642 603 HG2 ARG 89 HG2 ARG 89 -23.898 25.048 15.626 604 HG3 ARG 89 HG3 ARG 89 -22.302 24.644 14.972 605 HD2 ARG 89 HD2 ARG 89 -21.939 26.886 14.233 606 HD3 ARG 89 HD3 ARG 89 -23.638 27.320 14.504 607 HE ARG 89 HE ARG 89 -21.506 27.136 16.530 608 HH11 ARG 89 HH11 ARG 89 -22.007 27.817 18.652 609 HH12 ARG 89 HH12 ARG 89 -23.653 28.229 19.076 610 HH21 ARG 89 HH21 ARG 89 -24.969 27.493 15.938 611 HH22 ARG 89 HH22 ARG 89 -25.301 28.048 17.563 612 H ARG 90 H ARG 90 -20.352 25.018 12.789 613 HA ARG 90 HA ARG 90 -19.514 22.240 12.598 614 HB2 ARG 90 HB2 ARG 90 -18.062 24.049 12.005 615 HB3 ARG 90 HB3 ARG 90 -18.172 24.738 13.625 616 HG2 ARG 90 HG2 ARG 90 -17.127 22.360 14.266 617 HG3 ARG 90 HG3 ARG 90 -16.534 22.470 12.602 618 HD2 ARG 90 HD2 ARG 90 -15.845 24.171 15.001 619 HD3 ARG 90 HD3 ARG 90 -14.772 23.412 13.810 620 HE ARG 90 HE ARG 90 -16.388 25.869 13.325 621 HH11 ARG 90 HH11 ARG 90 -15.495 27.360 11.876 622 HH12 ARG 90 HH12 ARG 90 -13.946 27.025 11.136 623 HH21 ARG 90 HH21 ARG 90 -13.577 23.871 12.752 624 HH22 ARG 90 HH22 ARG 90 -12.842 25.009 11.645 625 H HIS 91 H HIS 91 -19.404 20.753 14.019 626 HA HIS 91 HA HIS 91 -19.326 21.340 16.934 627 HB2 HIS 91 HB2 HIS 91 -20.709 19.149 15.391 628 HB3 HIS 91 HB3 HIS 91 -20.383 19.071 17.130 629 HD1 HIS 91 HD1 HIS 91 -22.203 21.329 14.651 630 HD2 HIS 91 HD2 HIS 91 -22.186 20.233 18.678 631 HE1 HIS 91 HE1 HIS 91 -24.341 22.300 15.663 632 H GLU 92 H GLU 92 -17.939 19.899 18.102 633 HA GLU 92 HA GLU 92 -16.447 17.979 16.368 634 HB2 GLU 92 HB2 GLU 92 -15.169 19.810 18.385 635 HB3 GLU 92 HB3 GLU 92 -14.379 18.378 17.690 636 HG2 GLU 92 HG2 GLU 92 -14.848 19.308 15.433 637 HG3 GLU 92 HG3 GLU 92 -15.435 20.783 16.206 638 H LEU 93 H LEU 93 -15.851 16.116 17.185 639 HA LEU 93 HA LEU 93 -16.817 15.423 19.900 640 HB2 LEU 93 HB2 LEU 93 -16.576 13.553 17.539 641 HB3 LEU 93 HB3 LEU 93 -17.277 13.222 19.120 642 HG LEU 93 HG LEU 93 -18.470 14.900 16.912 643 HD11 LEU 93 HD11 LEU 93 -20.185 13.118 16.978 644 HD12 LEU 93 HD12 LEU 93 -18.562 12.492 16.604 645 HD13 LEU 93 HD13 LEU 93 -19.242 12.283 18.236 646 HD21 LEU 93 HD21 LEU 93 -20.409 15.231 18.415 647 HD22 LEU 93 HD22 LEU 93 -19.514 14.440 19.735 648 HD23 LEU 93 HD23 LEU 93 -18.934 15.984 19.066 649 H LEU 94 H LEU 94 -15.399 14.527 21.214 650 HA LEU 94 HA LEU 94 -12.794 13.614 20.113 651 HB2 LEU 94 HB2 LEU 94 -12.667 15.545 21.653 652 HB3 LEU 94 HB3 LEU 94 -13.486 14.597 22.901 653 HG LEU 94 HG LEU 94 -11.647 13.017 22.866 654 HD11 LEU 94 HD11 LEU 94 -10.796 13.401 20.604 655 HD12 LEU 94 HD12 LEU 94 -10.185 14.992 21.119 656 HD13 LEU 94 HD13 LEU 94 -9.529 13.507 21.849 657 HD21 LEU 94 HD21 LEU 94 -10.083 14.450 24.061 658 HD22 LEU 94 HD22 LEU 94 -10.959 15.875 23.450 659 HD23 LEU 94 HD23 LEU 94 -11.784 14.712 24.517 660 H SER 95 H SER 95 -12.333 11.441 20.322 661 HA SER 95 HA SER 95 -14.535 9.755 21.124 662 HB2 SER 95 HB2 SER 95 -13.042 7.884 20.855 663 HB3 SER 95 HB3 SER 95 -12.838 9.028 19.520 664 HG SER 95 HG SER 95 -10.834 8.702 20.028 665 HA PRO 96 HA PRO 96 -15.280 7.963 21.841 666 HB2 PRO 96 HB2 PRO 96 -16.792 6.972 23.824 667 HB3 PRO 96 HB3 PRO 96 -15.242 6.228 23.347 668 HG2 PRO 96 HG2 PRO 96 -15.875 8.002 25.664 669 HG3 PRO 96 HG3 PRO 96 -14.889 6.512 25.601 670 HD2 PRO 96 HD2 PRO 96 -13.808 9.072 25.535 671 HD3 PRO 96 HD3 PRO 96 -13.018 7.646 24.797 672 H ALA 97 H ALA 97 -17.202 8.653 21.116 673 HA ALA 97 HA ALA 97 -18.855 10.364 22.852 674 HB1 ALA 97 HB1 ALA 97 -18.775 12.223 21.245 675 HB2 ALA 97 HB2 ALA 97 -17.172 11.884 21.939 676 HB3 ALA 97 HB3 ALA 97 -17.563 11.336 20.291 677 H VAL 98 H VAL 98 -20.866 10.828 21.943 678 HA VAL 98 HA VAL 98 -21.654 9.477 19.433 679 HB VAL 98 HB VAL 98 -23.071 9.396 22.106 680 HG11 VAL 98 HG11 VAL 98 -24.826 8.196 20.631 681 HG12 VAL 98 HG12 VAL 98 -24.126 9.214 19.350 682 HG13 VAL 98 HG13 VAL 98 -24.817 9.967 20.808 683 HG21 VAL 98 HG21 VAL 98 -23.136 6.985 21.649 684 HG22 VAL 98 HG22 VAL 98 -21.475 7.623 21.692 685 HG23 VAL 98 HG23 VAL 98 -22.250 7.261 20.131 686 H MET 99 H MET 99 -22.852 10.781 18.119 687 HA MET 99 HA MET 99 -24.088 13.188 19.339 688 HB2 MET 99 HB2 MET 99 -22.087 13.929 18.226 689 HB3 MET 99 HB3 MET 99 -22.563 13.085 16.745 690 HG2 MET 99 HG2 MET 99 -24.420 14.575 16.424 691 HG3 MET 99 HG3 MET 99 -24.141 15.335 18.007 692 HE1 MET 99 HE1 MET 99 -23.104 17.988 15.266 693 HE2 MET 99 HE2 MET 99 -24.327 16.710 15.068 694 HE3 MET 99 HE3 MET 99 -24.224 17.614 16.598 695 H ARG 100 H ARG 100 -26.066 13.467 18.888 696 HA ARG 100 HA ARG 100 -27.370 11.707 16.939 697 HB2 ARG 100 HB2 ARG 100 -28.470 12.152 19.022 698 HB3 ARG 100 HB3 ARG 100 -28.454 13.895 18.704 699 HG2 ARG 100 HG2 ARG 100 -30.065 13.684 16.937 700 HG3 ARG 100 HG3 ARG 100 -29.878 11.916 16.879 701 HD2 ARG 100 HD2 ARG 100 -30.807 11.730 19.130 702 HD3 ARG 100 HD3 ARG 100 -30.956 13.494 19.235 703 HE ARG 100 HE ARG 100 -32.708 11.640 17.875 704 HH11 ARG 100 HH11 ARG 100 -34.487 12.440 16.808 705 HH12 ARG 100 HH12 ARG 100 -34.712 14.168 16.652 706 HH21 ARG 100 HH21 ARG 100 -31.757 15.039 18.222 707 HH22 ARG 100 HH22 ARG 100 -33.209 15.606 17.430 708 H ILE 101 H ILE 101 -28.000 12.114 14.928 709 HA ILE 101 HA ILE 101 -27.828 14.947 13.930 710 HB ILE 101 HB ILE 101 -27.648 12.275 12.456 711 HG12 ILE 101 HG12 ILE 101 -25.724 12.488 13.797 712 HG13 ILE 101 HG13 ILE 101 -25.293 12.707 12.087 713 HG21 ILE 101 HG21 ILE 101 -26.977 13.550 10.492 714 HG22 ILE 101 HG22 ILE 101 -27.299 15.052 11.391 715 HG23 ILE 101 HG23 ILE 101 -28.624 13.910 11.062 716 HD11 ILE 101 HD11 ILE 101 -24.166 14.293 13.497 717 HD12 ILE 101 HD12 ILE 101 -25.735 14.879 14.098 718 HD13 ILE 101 HD13 ILE 101 -25.302 15.094 12.385 719 HA PRO 102 HA PRO 102 -32.305 13.926 14.096 720 HB2 PRO 102 HB2 PRO 102 -32.358 16.722 12.916 721 HB3 PRO 102 HB3 PRO 102 -33.303 16.063 14.284 722 HG2 PRO 102 HG2 PRO 102 -31.310 17.692 14.733 723 HG3 PRO 102 HG3 PRO 102 -31.524 16.239 15.746 724 HD2 PRO 102 HD2 PRO 102 -29.586 16.725 13.505 725 HD3 PRO 102 HD3 PRO 102 -29.309 15.961 15.105 726 H ALA 103 H ALA 103 -33.707 13.267 12.592 727 HA ALA 103 HA ALA 103 -33.047 12.724 9.883 728 HB1 ALA 103 HB1 ALA 103 -35.447 12.323 9.552 729 HB2 ALA 103 HB2 ALA 103 -35.794 13.135 11.098 730 HB3 ALA 103 HB3 ALA 103 -34.871 11.613 11.079 731 H GLY 104 H GLY 104 -33.029 13.853 8.101 732 HA2 GLY 104 HA2 GLY 104 -33.669 15.583 6.616 733 HA3 GLY 104 HA3 GLY 104 -34.498 16.398 7.945 734 H SER 105 H SER 105 -31.754 16.037 9.487 735 HA SER 105 HA SER 105 -30.908 18.732 8.999 736 HB2 SER 105 HB2 SER 105 -30.641 17.645 11.192 737 HB3 SER 105 HB3 SER 105 -29.560 16.426 10.467 738 HG SER 105 HG SER 105 -28.998 19.108 10.010 739 H GLU 106 H GLU 106 -29.354 19.441 7.539 740 HA GLU 106 HA GLU 106 -28.032 17.568 5.720 741 HB2 GLU 106 HB2 GLU 106 -28.882 19.837 5.048 742 HB3 GLU 106 HB3 GLU 106 -27.703 20.575 6.138 743 HG2 GLU 106 HG2 GLU 106 -25.959 20.173 4.748 744 HG3 GLU 106 HG3 GLU 106 -26.712 18.736 4.039 745 H HIS 107 H HIS 107 -26.169 16.565 6.360 746 HA HIS 107 HA HIS 107 -24.270 18.047 8.060 747 HB2 HIS 107 HB2 HIS 107 -24.326 16.508 9.842 748 HB3 HIS 107 HB3 HIS 107 -26.027 16.444 9.347 749 HD1 HIS 107 HD1 HIS 107 -22.782 14.585 9.125 750 HD2 HIS 107 HD2 HIS 107 -26.634 14.169 7.610 751 HE1 HIS 107 HE1 HIS 107 -22.774 12.564 7.568 752 H CYS 108 H CYS 108 -22.342 16.793 8.523 753 HA CYS 108 HA CYS 108 -21.640 14.384 7.063 754 HB2 CYS 108 HB2 CYS 108 -19.809 15.484 5.745 755 HB3 CYS 108 HB3 CYS 108 -21.437 15.814 5.146 756 HG CYS 108 HG CYS 108 -19.902 18.062 4.792 757 H PHE 109 H PHE 109 -19.313 13.907 7.509 758 HA PHE 109 HA PHE 109 -18.256 15.603 9.756 759 HB2 PHE 109 HB2 PHE 109 -17.646 13.867 11.148 760 HB3 PHE 109 HB3 PHE 109 -19.252 13.393 10.579 761 HD1 PHE 109 HD1 PHE 109 -15.756 12.452 10.806 762 HD2 PHE 109 HD2 PHE 109 -19.449 11.569 8.785 763 HE1 PHE 109 HE1 PHE 109 -14.761 10.431 9.990 764 HE2 PHE 109 HE2 PHE 109 -18.421 9.386 8.099 765 HZ PHE 109 HZ PHE 109 -16.141 8.782 8.780 766 H LEU 110 H LEU 110 -16.079 15.497 10.119 767 HA LEU 110 HA LEU 110 -14.312 14.548 7.927 768 HB2 LEU 110 HB2 LEU 110 -14.633 16.880 7.486 769 HB3 LEU 110 HB3 LEU 110 -14.259 17.285 9.166 770 HG LEU 110 HG LEU 110 -11.995 16.304 8.788 771 HD11 LEU 110 HD11 LEU 110 -11.207 16.123 6.462 772 HD12 LEU 110 HD12 LEU 110 -12.466 14.939 6.886 773 HD13 LEU 110 HD13 LEU 110 -12.880 16.366 5.906 774 HD21 LEU 110 HD21 LEU 110 -11.085 18.335 7.707 775 HD22 LEU 110 HD22 LEU 110 -12.735 18.802 7.233 776 HD23 LEU 110 HD23 LEU 110 -12.299 18.700 8.956 777 H THR 111 H THR 111 -12.691 13.346 8.655 778 HA THR 111 HA THR 111 -12.214 13.146 11.476 779 HB THR 111 HB THR 111 -10.541 11.999 9.234 780 HG1 THR 111 HG1 THR 111 -12.578 11.135 9.048 781 HG21 THR 111 HG21 THR 111 -9.882 10.348 10.931 782 HG22 THR 111 HG22 THR 111 -9.426 11.993 11.436 783 HG23 THR 111 HG23 THR 111 -10.853 11.206 12.152 784 H LEU 112 H LEU 112 -11.146 14.566 12.687 785 HA LEU 112 HA LEU 112 -9.011 16.193 11.335 786 HB2 LEU 112 HB2 LEU 112 -10.012 16.439 14.191 787 HB3 LEU 112 HB3 LEU 112 -8.989 17.582 13.310 788 HG LEU 112 HG LEU 112 -11.849 16.916 12.716 789 HD11 LEU 112 HD11 LEU 112 -11.503 18.263 14.773 790 HD12 LEU 112 HD12 LEU 112 -10.620 19.472 13.811 791 HD13 LEU 112 HD13 LEU 112 -12.345 19.169 13.493 792 HD21 LEU 112 HD21 LEU 112 -10.613 17.505 10.664 793 HD22 LEU 112 HD22 LEU 112 -10.104 19.029 11.431 794 HD23 LEU 112 HD23 LEU 112 -11.829 18.725 11.113 795 H GLU 113 H GLU 113 -9.303 13.547 13.706 796 HA GLU 113 HA GLU 113 -6.382 13.272 13.657 797 HB2 GLU 113 HB2 GLU 113 -6.935 14.687 15.733 798 HB3 GLU 113 HB3 GLU 113 -7.861 13.289 16.315 799 HG2 GLU 113 HG2 GLU 113 -5.517 13.422 17.210 800 HG3 GLU 113 HG3 GLU 113 -5.881 11.907 16.358 801 H ALA 114 H ALA 114 -5.884 11.061 13.866 802 HA ALA 114 HA ALA 114 -7.751 9.220 15.153 803 HB1 ALA 114 HB1 ALA 114 -8.167 7.815 13.196 804 HB2 ALA 114 HB2 ALA 114 -8.865 9.442 13.012 805 HB3 ALA 114 HB3 ALA 114 -7.356 9.020 12.167 806 H GLU 115 H GLU 115 -6.800 7.469 15.779 807 HA GLU 115 HA GLU 115 -4.029 6.857 14.873 808 HB2 GLU 115 HB2 GLU 115 -3.869 5.539 16.968 809 HB3 GLU 115 HB3 GLU 115 -4.135 7.274 17.230 810 HG2 GLU 115 HG2 GLU 115 -6.444 6.904 17.654 811 HG3 GLU 115 HG3 GLU 115 -6.299 5.195 17.240 812 H VAL 116 H VAL 116 -3.525 4.482 14.965 813 HA VAL 116 HA VAL 116 -5.253 2.969 13.234 814 HB VAL 116 HB VAL 116 -3.165 1.980 15.265 815 HG11 VAL 116 HG11 VAL 116 -4.838 0.201 14.732 816 HG12 VAL 116 HG12 VAL 116 -3.239 -0.186 14.054 817 HG13 VAL 116 HG13 VAL 116 -4.527 0.438 12.995 818 HG21 VAL 116 HG21 VAL 116 -2.257 3.360 13.451 819 HG22 VAL 116 HG22 VAL 116 -1.737 1.663 13.316 820 HG23 VAL 116 HG23 VAL 116 -3.026 2.287 12.258 821 H GLY 117 H GLY 117 -7.123 1.951 13.633 822 HA2 GLY 117 HA2 GLY 117 -8.555 0.692 14.977 823 HA3 GLY 117 HA3 GLY 117 -7.677 1.253 16.398 824 H SER 118 H SER 118 -8.254 4.122 14.854 825 HA SER 118 HA SER 118 -10.561 4.754 16.480 826 HB2 SER 118 HB2 SER 118 -9.362 6.178 14.043 827 HB3 SER 118 HB3 SER 118 -10.548 6.880 15.171 828 HG SER 118 HG SER 118 -8.582 7.515 15.915 829 H TYR 119 H TYR 119 -12.668 4.587 15.969 830 HA TYR 119 HA TYR 119 -13.443 4.029 13.135 831 HB2 TYR 119 HB2 TYR 119 -14.367 2.589 15.626 832 HB3 TYR 119 HB3 TYR 119 -15.382 2.662 14.178 833 HD1 TYR 119 HD1 TYR 119 -12.189 1.241 15.528 834 HD2 TYR 119 HD2 TYR 119 -14.850 1.371 12.241 835 HE1 TYR 119 HE1 TYR 119 -10.979 -0.550 14.400 836 HE2 TYR 119 HE2 TYR 119 -13.729 -0.536 11.212 837 HH TYR 119 HH TYR 119 -12.204 -2.498 11.957 838 H CYS 120 H CYS 120 -15.153 5.166 12.374 839 HA CYS 120 HA CYS 120 -17.014 6.335 14.397 840 HB2 CYS 120 HB2 CYS 120 -15.769 8.022 13.101 841 HB3 CYS 120 HB3 CYS 120 -16.428 7.312 11.611 842 HG CYS 120 HG CYS 120 -18.117 9.536 12.031 843 H PHE 121 H PHE 121 -18.973 5.415 14.307 844 HA PHE 121 HA PHE 121 -19.914 4.136 11.788 845 HB2 PHE 121 HB2 PHE 121 -20.704 3.482 14.614 846 HB3 PHE 121 HB3 PHE 121 -21.310 2.707 13.145 847 HD1 PHE 121 HD1 PHE 121 -18.804 2.787 15.664 848 HD2 PHE 121 HD2 PHE 121 -19.653 1.402 11.649 849 HE1 PHE 121 HE1 PHE 121 -16.957 1.112 15.884 850 HE2 PHE 121 HE2 PHE 121 -17.688 -0.241 11.878 851 HZ PHE 121 HZ PHE 121 -16.597 -0.425 14.024 852 H GLY 122 H GLY 122 -22.066 4.378 11.280 853 HA2 GLY 122 HA2 GLY 122 -23.489 6.638 12.577 854 HA3 GLY 122 HA3 GLY 122 -23.558 6.293 10.836 855 H ILE 123 H ILE 123 -25.263 5.855 13.663 856 HA ILE 123 HA ILE 123 -26.276 3.179 12.784 857 HB ILE 123 HB ILE 123 -26.636 4.640 15.425 858 HG12 ILE 123 HG12 ILE 123 -25.610 2.264 16.148 859 HG13 ILE 123 HG13 ILE 123 -24.902 2.318 14.539 860 HG21 ILE 123 HG21 ILE 123 -27.852 2.603 16.112 861 HG22 ILE 123 HG22 ILE 123 -28.654 3.424 14.752 862 HG23 ILE 123 HG23 ILE 123 -27.688 1.957 14.462 863 HD11 ILE 123 HD11 ILE 123 -23.297 2.979 16.229 864 HD12 ILE 123 HD12 ILE 123 -24.381 4.273 16.794 865 HD13 ILE 123 HD13 ILE 123 -23.665 4.358 15.166 866 H LEU 124 H LEU 124 -27.967 3.389 11.459 867 HA LEU 124 HA LEU 124 -29.507 5.960 11.474 868 HB2 LEU 124 HB2 LEU 124 -29.372 3.569 9.640 869 HB3 LEU 124 HB3 LEU 124 -30.480 4.926 9.389 870 HG LEU 124 HG LEU 124 -27.562 5.474 9.711 871 HD11 LEU 124 HD11 LEU 124 -27.642 3.587 8.135 872 HD12 LEU 124 HD12 LEU 124 -27.024 5.089 7.408 873 HD13 LEU 124 HD13 LEU 124 -28.686 4.553 7.065 874 HD21 LEU 124 HD21 LEU 124 -29.123 6.841 7.603 875 HD22 LEU 124 HD22 LEU 124 -29.594 7.171 9.287 876 HD23 LEU 124 HD23 LEU 124 -27.922 7.473 8.755 877 H LEU 125 H LEU 125 -31.483 6.113 12.411 878 HA LEU 125 HA LEU 125 -32.398 3.690 13.753 879 HB2 LEU 125 HB2 LEU 125 -33.219 6.587 14.124 880 HB3 LEU 125 HB3 LEU 125 -33.806 5.218 15.084 881 HG LEU 125 HG LEU 125 -30.949 6.123 14.856 882 HD11 LEU 125 HD11 LEU 125 -32.310 7.717 16.154 883 HD12 LEU 125 HD12 LEU 125 -31.030 6.924 17.103 884 HD13 LEU 125 HD13 LEU 125 -32.723 6.401 17.280 885 HD21 LEU 125 HD21 LEU 125 -31.165 3.702 15.256 886 HD22 LEU 125 HD22 LEU 125 -32.055 4.060 16.755 887 HD23 LEU 125 HD23 LEU 125 -30.362 4.582 16.579 888 H GLY 126 H GLY 126 -33.008 2.917 11.604 889 HA2 GLY 126 HA2 GLY 126 -35.736 2.615 11.211 890 HA3 GLY 126 HA3 GLY 126 -35.324 4.047 10.236 891 H ASP 127 H ASP 127 -36.322 2.044 8.932 892 HA ASP 127 HA ASP 127 -33.933 0.632 7.955 893 HB2 ASP 127 HB2 ASP 127 -35.353 -1.057 7.103 894 HB3 ASP 127 HB3 ASP 127 -35.749 -0.717 8.797 895 H ARG 128 H ARG 128 -35.328 3.444 6.999 896 HA ARG 128 HA ARG 128 -34.685 2.858 4.132 897 HB2 ARG 128 HB2 ARG 128 -35.887 5.480 4.766 898 HB3 ARG 128 HB3 ARG 128 -36.168 4.398 3.397 899 HG2 ARG 128 HG2 ARG 128 -38.016 3.558 4.323 900 HG3 ARG 128 HG3 ARG 128 -37.225 3.326 5.898 901 HD2 ARG 128 HD2 ARG 128 -39.066 4.915 6.108 902 HD3 ARG 128 HD3 ARG 128 -37.513 5.729 6.385 903 HE ARG 128 HE ARG 128 -38.237 5.979 3.636 904 HH11 ARG 128 HH11 ARG 128 -39.031 7.933 2.849 905 HH12 ARG 128 HH12 ARG 128 -39.703 9.118 3.946 906 HH21 ARG 128 HH21 ARG 128 -39.174 7.196 6.827 907 HH22 ARG 128 HH22 ARG 128 -39.785 8.705 6.186 908 H LEU 129 H LEU 129 -33.423 4.160 2.967 909 HA LEU 129 HA LEU 129 -31.816 6.263 4.363 910 HB2 LEU 129 HB2 LEU 129 -31.266 4.779 1.771 911 HB3 LEU 129 HB3 LEU 129 -30.260 6.033 2.476 912 HG LEU 129 HG LEU 129 -30.663 3.315 3.715 913 HD11 LEU 129 HD11 LEU 129 -29.536 3.157 1.532 914 HD12 LEU 129 HD12 LEU 129 -28.376 4.407 2.040 915 HD13 LEU 129 HD13 LEU 129 -28.406 2.833 2.869 916 HD21 LEU 129 HD21 LEU 129 -28.710 4.006 5.049 917 HD22 LEU 129 HD22 LEU 129 -28.730 5.592 4.243 918 HD23 LEU 129 HD23 LEU 129 -30.092 5.103 5.280 919 H1 TRP 202 H1 TRP 202 -22.925 6.063 8.253 920 H2 TRP 202 H2 TRP 202 -24.117 6.729 7.241 921 H3 TRP 202 H3 TRP 202 -24.011 7.210 8.867 922 HA TRP 202 HA TRP 202 -22.233 8.537 8.514 923 HB2 TRP 202 HB2 TRP 202 -21.576 6.511 6.426 924 HB3 TRP 202 HB3 TRP 202 -20.901 8.106 6.251 925 HD1 TRP 202 HD1 TRP 202 -21.203 7.161 9.869 926 HE1 TRP 202 HE1 TRP 202 -18.883 6.554 10.782 927 HE3 TRP 202 HE3 TRP 202 -18.575 6.811 5.490 928 HZ2 TRP 202 HZ2 TRP 202 -16.259 5.960 9.796 929 HZ3 TRP 202 HZ3 TRP 202 -16.173 6.204 5.526 930 HH2 TRP 202 HH2 TRP 202 -15.014 5.786 7.668
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