REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2pci_1_B DATA FIRST_RESID 1 DATA SEQUENCE MVLYFIGLGL YDERDITVKG LEIAKKCDYV FAEFYTSLMA GTTLGRIQKL DATA SEQUENCE IGKEIRVLSR EDVELNFENI VLPLAKENDV AFLTPGDPLV ATTHAELRIR DATA SEQUENCE AKRAGVESYV IHAPSIYSAV GITGLHIYKF GKSATVAYPE GNWFPTSYYD DATA SEQUENCE VIKENAERGL HTLLFLDIKA EKRMYMTANE AMELLLKVED MKKGGVFTDD DATA SEQUENCE TLVVVLARAG SLNPTIRAGY VKDLIREDFG DPPHILIVPG KLMIVEAEYL DATA SEQUENCE VEIAGAPREI LRVNV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.308 55.300 0.014 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 V N 1.949 121.864 119.914 0.002 0.000 2.604 2 V HA 0.650 4.771 4.120 0.001 0.000 0.305 2 V C -0.754 175.266 176.094 -0.123 0.000 1.043 2 V CA -0.841 61.421 62.300 -0.063 0.000 0.888 2 V CB 2.526 34.278 31.823 -0.118 0.000 0.995 2 V HN 0.220 8.410 8.190 -0.000 0.000 0.429 3 L N 5.356 126.479 121.223 -0.166 0.000 2.325 3 L HA 0.642 4.983 4.340 0.001 0.000 0.281 3 L C -1.438 175.341 176.870 -0.152 0.000 1.004 3 L CA -0.214 54.544 54.840 -0.137 0.000 0.823 3 L CB 1.293 43.266 42.059 -0.143 0.000 1.236 3 L HN 0.553 8.783 8.230 -0.000 0.000 0.415 4 Y N 5.059 125.406 120.300 0.077 0.000 2.331 4 Y HA 0.482 5.033 4.550 0.001 0.000 0.338 4 Y C -0.649 175.293 175.900 0.070 0.000 0.976 4 Y CA -0.226 57.963 58.100 0.149 0.000 1.137 4 Y CB 1.135 39.671 38.460 0.127 0.000 1.172 4 Y HN 0.419 8.699 8.280 -0.000 0.000 0.478 5 F N 4.782 124.901 119.950 0.282 0.000 2.390 5 F HA 0.437 4.965 4.527 0.002 0.000 0.361 5 F C -0.037 175.846 175.800 0.137 0.000 1.124 5 F CA -0.516 57.615 58.000 0.218 0.000 1.149 5 F CB 0.326 39.401 39.000 0.125 0.000 1.160 5 F HN 0.231 8.531 8.300 -0.000 0.000 0.501 6 I N 2.934 123.631 120.570 0.213 0.000 2.406 6 I HA 0.432 4.602 4.170 0.001 0.000 0.290 6 I C 0.552 176.706 176.117 0.062 0.000 0.999 6 I CA -0.794 60.576 61.300 0.116 0.000 1.124 6 I CB 1.683 39.725 38.000 0.071 0.000 1.289 6 I HN 0.626 8.836 8.210 -0.000 0.000 0.441 7 G N 5.443 114.285 108.800 0.071 0.000 2.415 7 G HA2 0.453 4.414 3.960 0.001 0.000 0.269 7 G HA3 0.453 4.414 3.960 0.001 0.000 0.269 7 G C 0.511 175.447 174.900 0.060 0.000 1.209 7 G CA -0.438 44.703 45.100 0.069 0.000 0.835 7 G HN 0.685 8.975 8.290 -0.000 0.000 0.534 8 L N 1.798 123.056 121.223 0.058 0.000 2.529 8 L HA 0.274 4.615 4.340 0.001 0.000 0.223 8 L C 1.690 178.615 176.870 0.091 0.000 1.113 8 L CA 0.802 55.686 54.840 0.073 0.000 0.861 8 L CB -0.633 41.484 42.059 0.097 0.000 1.012 8 L HN 0.967 9.197 8.230 -0.000 0.000 0.461 9 G N -0.150 108.710 108.800 0.100 0.000 2.587 9 G HA2 -0.258 3.703 3.960 0.001 0.000 0.212 9 G HA3 -0.258 3.703 3.960 0.001 0.000 0.212 9 G C 0.150 175.126 174.900 0.127 0.000 1.327 9 G CA -0.191 44.974 45.100 0.108 0.000 0.898 9 G HN -0.001 8.289 8.290 -0.000 0.000 0.551 10 L N -1.849 119.456 121.223 0.138 0.000 2.145 10 L HA 0.265 4.606 4.340 0.001 0.000 0.201 10 L C 2.233 179.247 176.870 0.240 0.000 1.075 10 L CA 1.856 56.796 54.840 0.167 0.000 0.773 10 L CB -0.139 42.004 42.059 0.139 0.000 0.936 10 L HN 0.598 8.828 8.230 -0.000 0.000 0.451 11 Y N -0.444 119.888 120.300 0.053 0.000 3.012 11 Y HA 0.112 4.662 4.550 0.001 0.000 0.236 11 Y C 0.193 176.114 175.900 0.035 0.000 1.017 11 Y CA -0.321 57.802 58.100 0.039 0.000 1.364 11 Y CB 0.378 38.851 38.460 0.022 0.000 1.491 11 Y HN 0.283 8.563 8.280 -0.000 0.000 0.435 12 D N -0.957 119.473 120.400 0.051 0.000 2.689 12 D HA 0.136 4.777 4.640 0.001 0.000 0.255 12 D C 0.721 177.030 176.300 0.015 0.000 1.113 12 D CA -0.113 53.855 54.000 -0.052 0.000 1.115 12 D CB 0.037 40.843 40.800 0.009 0.000 1.334 12 D HN 0.137 8.507 8.370 -0.000 0.000 0.621 13 E N -0.226 119.976 120.200 0.002 0.000 2.338 13 E HA -0.171 4.179 4.350 0.001 0.000 0.197 13 E C 0.904 177.525 176.600 0.035 0.000 1.007 13 E CA 0.640 57.053 56.400 0.022 0.000 0.849 13 E CB -0.122 29.584 29.700 0.009 0.000 0.774 13 E HN 0.272 8.632 8.360 -0.000 0.000 0.506 14 R N 0.876 121.401 120.500 0.042 0.000 2.310 14 R HA 0.082 4.423 4.340 0.001 0.000 0.202 14 R C 0.502 176.835 176.300 0.054 0.000 0.933 14 R CA 0.282 56.408 56.100 0.043 0.000 1.054 14 R CB -0.004 30.322 30.300 0.043 0.000 0.985 14 R HN 0.201 8.471 8.270 -0.000 0.000 0.489 15 D N 0.538 120.978 120.400 0.067 0.000 2.349 15 D HA 0.018 4.658 4.640 0.001 0.000 0.224 15 D C 0.872 177.213 176.300 0.068 0.000 1.029 15 D CA 0.109 54.154 54.000 0.076 0.000 0.879 15 D CB 0.429 41.290 40.800 0.102 0.000 0.906 15 D HN 0.200 8.570 8.370 -0.000 0.000 0.528 16 I N 1.557 122.162 120.570 0.058 0.000 2.720 16 I HA -0.005 4.165 4.170 0.001 0.000 0.287 16 I C 0.721 176.865 176.117 0.045 0.000 1.090 16 I CA -0.234 61.097 61.300 0.052 0.000 1.384 16 I CB 0.933 38.957 38.000 0.040 0.000 1.420 16 I HN -0.069 8.141 8.210 -0.000 0.000 0.575 17 T N 2.959 117.540 114.554 0.045 0.000 2.849 17 T HA 0.190 4.541 4.350 0.001 0.000 0.284 17 T C 1.187 175.900 174.700 0.022 0.000 1.004 17 T CA -0.809 61.315 62.100 0.039 0.000 1.021 17 T CB 1.576 70.475 68.868 0.051 0.000 1.013 17 T HN 0.427 8.667 8.240 -0.000 0.000 0.527 18 V N 1.523 121.448 119.914 0.018 0.000 2.332 18 V HA -0.161 3.960 4.120 0.001 0.000 0.248 18 V C 2.852 178.942 176.094 -0.007 0.000 1.055 18 V CA 2.294 64.597 62.300 0.005 0.000 1.038 18 V CB -0.934 30.892 31.823 0.006 0.000 0.651 18 V HN 1.039 9.229 8.190 -0.000 0.000 0.450 19 K N 0.231 120.630 120.400 -0.001 0.000 2.032 19 K HA -0.170 4.150 4.320 0.001 0.000 0.209 19 K C 2.171 178.747 176.600 -0.040 0.000 1.048 19 K CA 1.827 58.104 56.287 -0.017 0.000 0.927 19 K CB -0.657 31.846 32.500 0.006 0.000 0.712 19 K HN 0.481 8.731 8.250 -0.000 0.000 0.441 20 G N 1.563 110.354 108.800 -0.016 0.000 2.418 20 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 20 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 20 G C 1.419 176.293 174.900 -0.044 0.000 1.158 20 G CA 0.866 45.952 45.100 -0.025 0.000 0.771 20 G HN 0.320 8.610 8.290 -0.000 0.000 0.545 21 L N 0.585 121.791 121.223 -0.027 0.000 1.994 21 L HA 0.052 4.392 4.340 0.001 0.000 0.208 21 L C 2.640 179.479 176.870 -0.051 0.000 1.071 21 L CA 2.158 56.980 54.840 -0.029 0.000 0.745 21 L CB -0.698 41.353 42.059 -0.013 0.000 0.892 21 L HN 0.343 8.573 8.230 -0.000 0.000 0.431 22 E N -0.431 119.735 120.200 -0.056 0.000 2.110 22 E HA -0.231 4.120 4.350 0.001 0.000 0.193 22 E C 2.274 178.806 176.600 -0.113 0.000 0.988 22 E CA 1.649 58.007 56.400 -0.070 0.000 0.804 22 E CB -0.198 29.467 29.700 -0.058 0.000 0.745 22 E HN 0.581 8.941 8.360 -0.000 0.000 0.458 23 I N 0.847 121.317 120.570 -0.166 0.000 2.252 23 I HA -0.229 3.941 4.170 0.001 0.000 0.245 23 I C 2.554 178.523 176.117 -0.248 0.000 1.102 23 I CA 0.757 61.877 61.300 -0.301 0.000 1.385 23 I CB -0.282 37.419 38.000 -0.498 0.000 1.064 23 I HN 0.074 8.284 8.210 -0.000 0.000 0.414 24 A N 0.959 123.685 122.820 -0.157 0.000 1.908 24 A HA -0.246 4.075 4.320 0.001 0.000 0.218 24 A C 2.250 179.792 177.584 -0.069 0.000 1.181 24 A CA 1.699 53.685 52.037 -0.086 0.000 0.627 24 A CB -0.513 18.459 19.000 -0.045 0.000 0.818 24 A HN 0.335 8.485 8.150 -0.000 0.000 0.445 25 K N -0.448 119.910 120.400 -0.070 0.000 2.280 25 K HA -0.102 4.218 4.320 0.001 0.000 0.202 25 K C 1.465 178.028 176.600 -0.061 0.000 1.047 25 K CA 1.385 57.638 56.287 -0.058 0.000 0.942 25 K CB -0.093 32.377 32.500 -0.050 0.000 0.739 25 K HN 0.441 8.691 8.250 -0.000 0.000 0.457 26 K N -0.165 120.190 120.400 -0.074 0.000 2.367 26 K HA 0.103 4.424 4.320 0.001 0.000 0.194 26 K C 0.309 176.887 176.600 -0.036 0.000 1.027 26 K CA -0.199 56.052 56.287 -0.060 0.000 1.075 26 K CB 0.415 32.872 32.500 -0.071 0.000 0.845 26 K HN 0.036 8.286 8.250 -0.000 0.000 0.529 27 C N 1.948 121.230 119.300 -0.030 0.000 2.604 27 C HA 0.089 4.549 4.460 0.001 0.000 0.396 27 C C 1.625 176.598 174.990 -0.029 0.000 1.282 27 C CA -0.680 58.353 59.018 0.025 0.000 2.292 27 C CB 0.578 28.362 27.740 0.073 0.000 2.633 27 C HN 0.485 8.715 8.230 -0.000 0.000 0.620 28 D N -0.463 119.923 120.400 -0.024 0.000 2.213 28 D HA 0.029 4.670 4.640 0.001 0.000 0.205 28 D C -0.346 175.677 176.300 -0.461 0.000 0.961 28 D CA 1.569 55.442 54.000 -0.212 0.000 0.853 28 D CB 0.202 40.916 40.800 -0.143 0.000 0.967 28 D HN 0.613 8.983 8.370 -0.000 0.000 0.496 29 Y N -0.443 119.852 120.300 -0.009 0.000 2.492 29 Y HA 0.404 4.954 4.550 0.001 0.000 0.346 29 Y C -0.401 175.441 175.900 -0.096 0.000 0.997 29 Y CA -0.944 57.099 58.100 -0.096 0.000 1.025 29 Y CB 2.446 40.871 38.460 -0.058 0.000 1.263 29 Y HN -0.417 7.863 8.280 -0.000 0.000 0.454 30 V N 4.278 124.135 119.914 -0.095 0.000 2.482 30 V HA 0.455 4.575 4.120 0.001 0.000 0.295 30 V C -0.988 174.984 176.094 -0.203 0.000 1.026 30 V CA -0.994 61.273 62.300 -0.055 0.000 0.856 30 V CB 0.983 32.784 31.823 -0.036 0.000 1.001 30 V HN 0.533 8.723 8.190 -0.000 0.000 0.424 31 F N 2.418 122.432 119.950 0.106 0.000 2.523 31 F HA 0.919 5.446 4.527 0.001 0.000 0.329 31 F C 0.482 176.266 175.800 -0.026 0.000 1.061 31 F CA -0.527 57.537 58.000 0.107 0.000 0.967 31 F CB 2.096 41.237 39.000 0.235 0.000 1.218 31 F HN 0.585 8.885 8.300 -0.000 0.000 0.480 32 A N 1.306 124.191 122.820 0.108 0.000 2.572 32 A HA 0.767 5.088 4.320 0.001 0.000 0.295 32 A C -1.660 175.739 177.584 -0.309 0.000 1.072 32 A CA -0.778 51.091 52.037 -0.280 0.000 0.691 32 A CB 1.749 20.584 19.000 -0.275 0.000 1.291 32 A HN 0.737 8.887 8.150 -0.000 0.000 0.404 33 E N -0.393 119.421 120.200 -0.642 0.000 2.272 33 E HA 0.711 5.062 4.350 0.001 0.000 0.269 33 E C -1.690 174.524 176.600 -0.644 0.000 0.877 33 E CA -0.479 55.727 56.400 -0.323 0.000 0.755 33 E CB 1.263 30.940 29.700 -0.038 0.000 1.192 33 E HN 0.281 8.641 8.360 -0.000 0.000 0.422 34 F N 2.679 122.685 119.950 0.094 0.000 2.749 34 F HA 0.246 4.773 4.527 0.001 0.000 0.380 34 F C -0.315 175.529 175.800 0.074 0.000 1.365 34 F CA -0.748 57.272 58.000 0.032 0.000 1.186 34 F CB 0.204 39.230 39.000 0.042 0.000 1.080 34 F HN 0.649 8.949 8.300 -0.000 0.000 0.513 35 Y N -2.767 117.615 120.300 0.137 0.000 2.444 35 Y HA 0.190 4.740 4.550 0.001 0.000 0.252 35 Y C 1.845 177.778 175.900 0.054 0.000 1.091 35 Y CA 0.616 58.772 58.100 0.092 0.000 1.276 35 Y CB -0.712 37.796 38.460 0.079 0.000 1.170 35 Y HN 0.037 8.317 8.280 -0.000 0.000 0.517 36 T N -2.577 111.663 114.554 -0.524 0.000 3.009 36 T HA 0.284 4.635 4.350 0.001 0.000 0.258 36 T C 0.761 175.374 174.700 -0.145 0.000 1.063 36 T CA 0.676 62.551 62.100 -0.376 0.000 1.139 36 T CB -0.151 68.390 68.868 -0.545 0.000 0.890 36 T HN 0.266 8.506 8.240 -0.000 0.000 0.471 37 S N -1.107 114.553 115.700 -0.066 0.000 2.661 37 S HA 0.679 5.150 4.470 0.001 0.000 0.268 37 S C -2.184 172.497 174.600 0.134 0.000 1.162 37 S CA -1.031 57.191 58.200 0.037 0.000 0.817 37 S CB 0.772 64.001 63.200 0.048 0.000 1.141 37 S HN 0.361 8.671 8.310 -0.000 0.000 0.477 38 L N 1.588 122.909 121.223 0.163 0.000 2.309 38 L HA 0.661 5.002 4.340 0.001 0.000 0.261 38 L C -0.768 176.199 176.870 0.163 0.000 1.021 38 L CA -0.994 53.951 54.840 0.176 0.000 0.823 38 L CB 1.937 44.065 42.059 0.116 0.000 1.366 38 L HN 0.552 8.782 8.230 -0.000 0.000 0.423 39 M N 1.449 121.071 119.600 0.037 0.000 2.208 39 M HA 0.258 4.738 4.480 0.001 0.000 0.352 39 M C 0.726 176.924 176.300 -0.170 0.000 1.137 39 M CA -0.356 54.919 55.300 -0.043 0.000 1.091 39 M CB 0.615 33.179 32.600 -0.059 0.000 1.309 39 M HN 0.807 9.097 8.290 -0.000 0.000 0.408 40 A N 2.166 124.881 122.820 -0.175 0.000 2.019 40 A HA 0.045 4.366 4.320 0.001 0.000 0.219 40 A C 1.756 178.992 177.584 -0.580 0.000 1.164 40 A CA 1.888 53.763 52.037 -0.269 0.000 0.644 40 A CB -0.444 18.449 19.000 -0.178 0.000 0.805 40 A HN 0.842 8.992 8.150 -0.000 0.000 0.449 41 G N -2.198 105.907 108.800 -1.158 0.000 3.284 41 G HA2 0.400 4.361 3.960 0.001 0.000 0.236 41 G HA3 0.400 4.361 3.960 0.001 0.000 0.236 41 G C 0.300 174.956 174.900 -0.407 0.000 1.158 41 G CA 0.907 45.398 45.100 -1.015 0.000 0.774 41 G HN 0.495 8.785 8.290 -0.000 0.000 0.545 42 T N -0.864 113.504 114.554 -0.310 0.000 2.647 42 T HA 0.646 4.996 4.350 0.001 0.000 0.295 42 T C -0.823 173.773 174.700 -0.173 0.000 1.126 42 T CA 0.310 62.302 62.100 -0.181 0.000 1.040 42 T CB 1.521 70.308 68.868 -0.134 0.000 1.472 42 T HN 0.292 8.532 8.240 -0.000 0.000 0.500 43 T N -0.071 114.401 114.554 -0.136 0.000 2.883 43 T HA 0.523 4.873 4.350 0.001 0.000 0.296 43 T C 0.935 175.560 174.700 -0.125 0.000 1.117 43 T CA -0.535 61.477 62.100 -0.146 0.000 1.006 43 T CB 1.218 70.031 68.868 -0.092 0.000 1.191 43 T HN 0.476 8.716 8.240 -0.000 0.000 0.508 44 L N 1.835 122.979 121.223 -0.132 0.000 2.079 44 L HA 0.199 4.539 4.340 0.001 0.000 0.210 44 L C 2.437 179.309 176.870 0.002 0.000 1.081 44 L CA 2.720 57.541 54.840 -0.032 0.000 0.752 44 L CB -1.211 40.856 42.059 0.013 0.000 0.896 44 L HN 0.976 9.206 8.230 -0.000 0.000 0.433 45 G N -0.760 108.029 108.800 -0.017 0.000 2.418 45 G HA2 -0.256 3.705 3.960 0.001 0.000 0.217 45 G HA3 -0.256 3.705 3.960 0.001 0.000 0.217 45 G C 1.743 176.638 174.900 -0.008 0.000 1.158 45 G CA 0.816 45.911 45.100 -0.008 0.000 0.771 45 G HN 0.429 8.719 8.290 -0.000 0.000 0.545 46 R N -0.259 120.230 120.500 -0.017 0.000 2.090 46 R HA 0.148 4.489 4.340 0.001 0.000 0.228 46 R C 2.555 178.855 176.300 -0.001 0.000 1.110 46 R CA 0.779 56.871 56.100 -0.013 0.000 0.973 46 R CB -0.307 29.978 30.300 -0.024 0.000 0.869 46 R HN 0.373 8.643 8.270 -0.000 0.000 0.440 47 I N 0.722 121.297 120.570 0.009 0.000 2.252 47 I HA -0.295 3.876 4.170 0.001 0.000 0.245 47 I C 2.751 178.884 176.117 0.027 0.000 1.102 47 I CA 1.300 62.620 61.300 0.032 0.000 1.385 47 I CB -0.277 37.770 38.000 0.079 0.000 1.064 47 I HN 0.242 8.452 8.210 -0.000 0.000 0.414 48 Q N 1.198 121.013 119.800 0.025 0.000 2.084 48 Q HA -0.292 4.049 4.340 0.001 0.000 0.202 48 Q C 2.156 178.157 176.000 0.001 0.000 0.978 48 Q CA 1.904 57.715 55.803 0.014 0.000 0.844 48 Q CB 0.031 28.777 28.738 0.014 0.000 0.898 48 Q HN 0.146 8.416 8.270 -0.000 0.000 0.426 49 K N 0.250 120.650 120.400 0.000 0.000 2.097 49 K HA -0.148 4.173 4.320 0.001 0.000 0.205 49 K C 1.808 178.405 176.600 -0.004 0.000 1.050 49 K CA 0.996 57.280 56.287 -0.004 0.000 0.938 49 K CB -0.549 31.948 32.500 -0.005 0.000 0.718 49 K HN 0.278 8.528 8.250 -0.000 0.000 0.442 50 L N 0.582 121.804 121.223 -0.000 0.000 2.046 50 L HA 0.007 4.348 4.340 0.001 0.000 0.208 50 L C 1.987 178.855 176.870 -0.004 0.000 1.077 50 L CA 1.671 56.511 54.840 -0.000 0.000 0.747 50 L CB -0.253 41.810 42.059 0.006 0.000 0.896 50 L HN 0.270 8.500 8.230 -0.000 0.000 0.432 51 I N -0.891 119.677 120.570 -0.005 0.000 2.500 51 I HA 0.015 4.185 4.170 0.001 0.000 0.252 51 I C 1.751 177.856 176.117 -0.020 0.000 1.142 51 I CA 0.891 62.183 61.300 -0.013 0.000 1.451 51 I CB -0.534 37.459 38.000 -0.011 0.000 1.093 51 I HN 0.494 8.704 8.210 -0.000 0.000 0.430 52 G N 1.342 110.131 108.800 -0.018 0.000 2.143 52 G HA2 -0.214 3.747 3.960 0.001 0.000 0.249 52 G HA3 -0.214 3.747 3.960 0.001 0.000 0.249 52 G C 0.193 175.074 174.900 -0.032 0.000 0.981 52 G CA -0.131 44.955 45.100 -0.023 0.000 0.665 52 G HN 0.273 8.563 8.290 -0.000 0.000 0.528 53 K N 0.196 120.576 120.400 -0.033 0.000 2.340 53 K HA 0.442 4.762 4.320 0.001 0.000 0.244 53 K C -0.104 176.471 176.600 -0.042 0.000 0.973 53 K CA -0.847 55.411 56.287 -0.048 0.000 0.828 53 K CB 2.165 34.630 32.500 -0.057 0.000 1.226 53 K HN 0.328 8.578 8.250 -0.000 0.000 0.437 54 E N 2.413 122.580 120.200 -0.055 0.000 2.373 54 E HA 0.153 4.503 4.350 0.001 0.000 0.267 54 E C -0.871 175.694 176.600 -0.057 0.000 1.032 54 E CA -0.134 56.239 56.400 -0.046 0.000 0.889 54 E CB 0.579 30.249 29.700 -0.050 0.000 0.984 54 E HN 0.364 8.724 8.360 -0.000 0.000 0.425 55 I N 4.518 125.069 120.570 -0.033 0.000 2.406 55 I HA 0.310 4.480 4.170 0.001 0.000 0.290 55 I C 0.051 176.155 176.117 -0.022 0.000 0.999 55 I CA -0.742 60.538 61.300 -0.033 0.000 1.124 55 I CB 1.744 39.760 38.000 0.026 0.000 1.289 55 I HN 0.441 8.651 8.210 -0.000 0.000 0.441 56 R N 6.218 126.668 120.500 -0.085 0.000 2.229 56 R HA 0.548 4.888 4.340 0.001 0.000 0.332 56 R C -1.301 175.086 176.300 0.145 0.000 0.989 56 R CA -0.501 55.596 56.100 -0.004 0.000 0.842 56 R CB 1.226 31.462 30.300 -0.107 0.000 1.119 56 R HN 0.446 8.716 8.270 -0.000 0.000 0.456 57 V N 6.655 126.670 119.914 0.168 0.000 2.530 57 V HA 0.227 4.348 4.120 0.001 0.000 0.282 57 V C 0.358 176.592 176.094 0.234 0.000 1.048 57 V CA -0.344 62.080 62.300 0.207 0.000 0.997 57 V CB 1.187 33.155 31.823 0.241 0.000 0.987 57 V HN 0.655 8.845 8.190 -0.000 0.000 0.477 58 L N 4.460 125.837 121.223 0.258 0.000 2.325 58 L HA 0.557 4.897 4.340 0.001 0.000 0.278 58 L C 0.615 177.628 176.870 0.238 0.000 1.023 58 L CA -0.300 54.695 54.840 0.258 0.000 0.811 58 L CB 2.064 44.319 42.059 0.326 0.000 1.249 58 L HN 0.808 9.038 8.230 -0.000 0.000 0.431 59 S N 1.867 117.650 115.700 0.139 0.000 2.655 59 S HA 0.272 4.742 4.470 0.001 0.000 0.265 59 S C 1.033 175.531 174.600 -0.170 0.000 1.240 59 S CA -0.558 57.672 58.200 0.050 0.000 0.986 59 S CB 1.374 64.578 63.200 0.007 0.000 0.985 59 S HN 0.754 9.064 8.310 -0.000 0.000 0.562 60 R N 0.588 120.777 120.500 -0.519 0.000 2.094 60 R HA -0.205 4.135 4.340 0.001 0.000 0.239 60 R C 2.259 178.250 176.300 -0.514 0.000 1.137 60 R CA 2.115 57.507 56.100 -1.181 0.000 0.943 60 R CB -0.676 29.123 30.300 -0.835 0.000 0.850 60 R HN 0.934 9.204 8.270 -0.000 0.000 0.433 61 E N 0.069 120.114 120.200 -0.259 0.000 2.051 61 E HA -0.213 4.138 4.350 0.001 0.000 0.192 61 E C 1.408 177.962 176.600 -0.075 0.000 0.991 61 E CA 1.698 58.018 56.400 -0.135 0.000 0.799 61 E CB -0.072 29.577 29.700 -0.085 0.000 0.748 61 E HN 0.364 8.724 8.360 -0.000 0.000 0.449 62 D N 0.030 120.402 120.400 -0.045 0.000 2.149 62 D HA -0.180 4.460 4.640 0.001 0.000 0.194 62 D C 1.956 178.283 176.300 0.046 0.000 1.001 62 D CA 1.463 55.468 54.000 0.009 0.000 0.849 62 D CB -0.122 40.710 40.800 0.053 0.000 0.939 62 D HN 0.151 8.521 8.370 -0.000 0.000 0.449 63 V N 1.194 121.154 119.914 0.078 0.000 2.326 63 V HA -0.110 4.011 4.120 0.001 0.000 0.237 63 V C 2.337 178.476 176.094 0.075 0.000 1.044 63 V CA 1.016 63.416 62.300 0.167 0.000 1.035 63 V CB -0.449 31.568 31.823 0.324 0.000 0.675 63 V HN 0.012 8.202 8.190 -0.000 0.000 0.470 64 E N 0.139 120.349 120.200 0.015 0.000 2.169 64 E HA -0.280 4.070 4.350 0.001 0.000 0.202 64 E C 1.944 178.540 176.600 -0.006 0.000 1.016 64 E CA 1.874 58.272 56.400 -0.002 0.000 0.817 64 E CB -0.287 29.381 29.700 -0.053 0.000 0.736 64 E HN 0.472 8.832 8.360 -0.000 0.000 0.462 65 L N 0.130 121.345 121.223 -0.013 0.000 2.433 65 L HA 0.159 4.500 4.340 0.001 0.000 0.200 65 L C 0.911 177.785 176.870 0.006 0.000 1.059 65 L CA 1.035 55.869 54.840 -0.009 0.000 0.835 65 L CB 0.200 42.242 42.059 -0.027 0.000 1.076 65 L HN -0.126 8.104 8.230 -0.000 0.000 0.481 66 N N -0.601 118.104 118.700 0.009 0.000 2.328 66 N HA 0.031 4.772 4.740 0.001 0.000 0.247 66 N C 1.032 176.536 175.510 -0.011 0.000 1.165 66 N CA 0.001 53.047 53.050 -0.008 0.000 0.873 66 N CB 0.206 38.675 38.487 -0.031 0.000 1.125 66 N HN 0.225 8.605 8.380 -0.000 0.000 0.513 67 F N 3.047 122.911 119.950 -0.143 0.000 2.120 67 F HA -0.209 4.319 4.527 0.001 0.000 0.300 67 F C 2.274 177.936 175.800 -0.229 0.000 1.095 67 F CA 1.701 59.567 58.000 -0.223 0.000 1.249 67 F CB 0.191 39.056 39.000 -0.224 0.000 0.995 67 F HN 0.216 8.516 8.300 -0.000 0.000 0.480 68 E N -1.210 118.929 120.200 -0.101 0.000 2.427 68 E HA -0.139 4.212 4.350 0.001 0.000 0.196 68 E C 1.230 177.711 176.600 -0.199 0.000 1.028 68 E CA 0.972 57.264 56.400 -0.179 0.000 0.864 68 E CB -0.474 29.191 29.700 -0.058 0.000 0.813 68 E HN 0.423 8.783 8.360 -0.000 0.000 0.514 69 N N 0.345 118.941 118.700 -0.174 0.000 2.388 69 N HA 0.152 4.892 4.740 0.001 0.000 0.176 69 N C 1.616 177.012 175.510 -0.189 0.000 1.062 69 N CA 0.514 53.476 53.050 -0.147 0.000 0.895 69 N CB 0.453 38.884 38.487 -0.093 0.000 1.018 69 N HN 0.305 8.685 8.380 -0.000 0.000 0.456 70 I N -0.658 119.745 120.570 -0.278 0.000 3.136 70 I HA 0.011 4.182 4.170 0.001 0.000 0.262 70 I C 1.812 177.608 176.117 -0.535 0.000 1.132 70 I CA 0.321 61.430 61.300 -0.319 0.000 1.450 70 I CB 0.124 37.956 38.000 -0.279 0.000 1.315 70 I HN -0.213 7.997 8.210 -0.000 0.000 0.460 71 V N 1.212 120.614 119.914 -0.853 0.000 2.331 71 V HA -0.105 4.016 4.120 0.001 0.000 0.242 71 V C 2.344 178.010 176.094 -0.714 0.000 1.034 71 V CA 1.182 62.842 62.300 -1.067 0.000 1.027 71 V CB -0.423 30.443 31.823 -1.594 0.000 0.667 71 V HN 0.286 8.476 8.190 -0.000 0.000 0.457 72 L N 0.095 120.881 121.223 -0.729 0.000 2.081 72 L HA -0.152 4.189 4.340 0.001 0.000 0.212 72 L C -0.002 176.707 176.870 -0.268 0.000 1.080 72 L CA 1.871 56.450 54.840 -0.435 0.000 0.754 72 L CB -1.924 39.929 42.059 -0.344 0.000 0.893 72 L HN 0.366 8.596 8.230 -0.000 0.000 0.433 73 P HA -0.166 4.254 4.420 -0.000 0.000 0.218 73 P C 1.874 179.084 177.300 -0.149 0.000 1.148 73 P CA 1.324 64.324 63.100 -0.167 0.000 0.822 73 P CB 0.110 31.715 31.700 -0.158 0.000 0.784 74 L N -1.497 119.611 121.223 -0.192 0.000 2.179 74 L HA -0.010 4.331 4.340 0.001 0.000 0.208 74 L C 2.367 179.203 176.870 -0.058 0.000 1.096 74 L CA 1.062 55.805 54.840 -0.160 0.000 0.779 74 L CB -0.989 40.898 42.059 -0.288 0.000 0.922 74 L HN -0.072 8.158 8.230 -0.000 0.000 0.443 75 A N -0.501 122.260 122.820 -0.099 0.000 2.067 75 A HA -0.150 4.170 4.320 0.001 0.000 0.219 75 A C 2.304 179.865 177.584 -0.038 0.000 1.158 75 A CA 1.141 53.143 52.037 -0.058 0.000 0.661 75 A CB -0.231 18.691 19.000 -0.129 0.000 0.801 75 A HN 0.117 8.267 8.150 -0.000 0.000 0.452 76 K N -0.195 120.173 120.400 -0.055 0.000 2.057 76 K HA -0.075 4.245 4.320 0.001 0.000 0.207 76 K C 1.156 177.753 176.600 -0.005 0.000 1.049 76 K CA 1.250 57.516 56.287 -0.035 0.000 0.931 76 K CB -0.014 32.458 32.500 -0.047 0.000 0.714 76 K HN 0.467 8.717 8.250 -0.000 0.000 0.440 77 E N 0.091 120.297 120.200 0.009 0.000 2.526 77 E HA 0.117 4.468 4.350 0.001 0.000 0.208 77 E C -0.076 176.565 176.600 0.068 0.000 0.997 77 E CA 0.006 56.426 56.400 0.034 0.000 0.961 77 E CB 0.611 30.331 29.700 0.032 0.000 1.030 77 E HN 0.253 8.613 8.360 -0.000 0.000 0.483 78 N N 0.432 119.187 118.700 0.091 0.000 2.697 78 N HA 0.193 4.933 4.740 0.001 0.000 0.272 78 N C -1.034 174.557 175.510 0.134 0.000 1.381 78 N CA -0.576 52.557 53.050 0.138 0.000 0.797 78 N CB 1.365 40.013 38.487 0.268 0.000 1.523 78 N HN -0.185 8.195 8.380 -0.000 0.000 0.518 79 D N 1.063 121.556 120.400 0.155 0.000 2.280 79 D HA 0.372 5.013 4.640 0.001 0.000 0.243 79 D C -0.575 175.867 176.300 0.237 0.000 1.129 79 D CA 0.027 54.142 54.000 0.193 0.000 0.848 79 D CB 1.532 42.462 40.800 0.218 0.000 1.107 79 D HN 0.062 8.432 8.370 -0.000 0.000 0.471 80 V N 1.383 121.444 119.914 0.244 0.000 2.604 80 V HA 0.724 4.844 4.120 0.001 0.000 0.305 80 V C 0.006 176.282 176.094 0.304 0.000 1.043 80 V CA -0.961 61.505 62.300 0.278 0.000 0.888 80 V CB 1.877 33.837 31.823 0.228 0.000 0.995 80 V HN 0.629 8.819 8.190 -0.000 0.000 0.429 81 A N 3.787 126.787 122.820 0.300 0.000 2.330 81 A HA 0.850 5.171 4.320 0.001 0.000 0.327 81 A C -1.258 176.512 177.584 0.311 0.000 1.155 81 A CA -0.364 51.834 52.037 0.268 0.000 0.803 81 A CB 0.898 19.993 19.000 0.158 0.000 1.208 81 A HN 0.810 8.960 8.150 -0.000 0.000 0.477 82 F N 3.982 123.952 119.950 0.033 0.000 2.430 82 F HA 0.546 5.073 4.527 0.001 0.000 0.362 82 F C -0.869 174.924 175.800 -0.011 0.000 1.103 82 F CA -1.080 56.917 58.000 -0.005 0.000 1.045 82 F CB 0.709 39.582 39.000 -0.211 0.000 1.276 82 F HN 0.454 8.755 8.300 -0.000 0.000 0.444 83 L N 4.958 125.973 121.223 -0.347 0.000 2.349 83 L HA 0.537 4.877 4.340 0.001 0.000 0.275 83 L C 0.382 176.890 176.870 -0.604 0.000 1.115 83 L CA -0.338 54.298 54.840 -0.340 0.000 0.820 83 L CB 1.309 43.251 42.059 -0.194 0.000 1.135 83 L HN 0.574 8.804 8.230 -0.000 0.000 0.445 84 T N 2.959 117.298 114.554 -0.359 0.000 2.933 84 T HA 0.477 4.828 4.350 0.001 0.000 0.305 84 T C -2.714 171.933 174.700 -0.089 0.000 1.092 84 T CA -1.608 60.313 62.100 -0.298 0.000 1.008 84 T CB 2.167 70.957 68.868 -0.131 0.000 1.102 84 T HN 0.207 8.447 8.240 -0.000 0.000 0.469 85 P HA 0.412 4.832 4.420 -0.000 0.000 0.269 85 P C 0.736 178.087 177.300 0.085 0.000 1.209 85 P CA 1.083 64.235 63.100 0.086 0.000 0.776 85 P CB 0.366 32.151 31.700 0.142 0.000 0.876 86 G N 2.177 111.044 108.800 0.111 0.000 2.528 86 G HA2 -0.210 3.751 3.960 0.001 0.000 0.262 86 G HA3 -0.210 3.751 3.960 0.001 0.000 0.262 86 G C -0.761 174.213 174.900 0.123 0.000 1.200 86 G CA 0.066 45.239 45.100 0.122 0.000 0.951 86 G HN 0.635 8.925 8.290 -0.000 0.000 0.566 87 D N 1.904 122.388 120.400 0.141 0.000 2.256 87 D HA 0.637 5.278 4.640 0.001 0.000 0.240 87 D C -2.165 174.231 176.300 0.159 0.000 1.062 87 D CA -1.459 52.640 54.000 0.165 0.000 0.832 87 D CB 1.331 42.242 40.800 0.187 0.000 1.135 87 D HN 0.210 8.580 8.370 -0.000 0.000 0.484 88 P HA 0.076 4.496 4.420 -0.000 0.000 0.266 88 P C 0.169 177.539 177.300 0.118 0.000 1.195 88 P CA -0.122 63.073 63.100 0.159 0.000 0.768 88 P CB 0.494 32.266 31.700 0.120 0.000 0.838 89 L N 1.260 122.571 121.223 0.147 0.000 4.937 89 L HA -0.227 4.114 4.340 0.001 0.000 0.422 89 L C 1.447 178.321 176.870 0.007 0.000 1.059 89 L CA 0.710 55.577 54.840 0.044 0.000 1.111 89 L CB -2.231 39.800 42.059 -0.047 0.000 2.033 89 L HN 0.203 8.433 8.230 -0.000 0.000 0.708 90 V N -0.827 119.103 119.914 0.025 0.000 2.591 90 V HA 0.106 4.226 4.120 0.001 0.000 0.249 90 V C 1.696 177.745 176.094 -0.075 0.000 1.053 90 V CA 1.195 63.482 62.300 -0.022 0.000 1.068 90 V CB -0.139 31.721 31.823 0.062 0.000 0.689 90 V HN 0.517 8.707 8.190 -0.000 0.000 0.462 91 A N 0.681 123.426 122.820 -0.125 0.000 2.454 91 A HA 0.321 4.641 4.320 0.001 0.000 0.260 91 A C 1.694 179.159 177.584 -0.198 0.000 1.106 91 A CA 0.500 52.382 52.037 -0.257 0.000 0.780 91 A CB 0.277 18.928 19.000 -0.581 0.000 1.044 91 A HN 0.561 8.711 8.150 -0.000 0.000 0.498 92 T N 0.420 114.888 114.554 -0.143 0.000 2.699 92 T HA -0.254 4.097 4.350 0.001 0.000 0.268 92 T C 1.710 176.367 174.700 -0.071 0.000 1.036 92 T CA 2.359 64.405 62.100 -0.090 0.000 1.147 92 T CB -1.256 67.575 68.868 -0.062 0.000 0.862 92 T HN 0.995 9.235 8.240 -0.000 0.000 0.446 93 T N -0.496 114.011 114.554 -0.079 0.000 2.881 93 T HA -0.143 4.207 4.350 0.001 0.000 0.270 93 T C 1.733 176.458 174.700 0.040 0.000 1.068 93 T CA 1.467 63.556 62.100 -0.018 0.000 1.131 93 T CB -1.041 67.843 68.868 0.027 0.000 0.871 93 T HN 0.720 8.960 8.240 -0.000 0.000 0.479 94 H N 1.028 120.060 119.070 -0.063 0.000 2.421 94 H HA 0.145 4.702 4.556 0.001 0.000 0.298 94 H C 2.764 177.970 175.328 -0.202 0.000 1.087 94 H CA 0.523 56.511 56.048 -0.100 0.000 1.330 94 H CB -0.158 29.579 29.762 -0.042 0.000 1.388 94 H HN 0.547 8.827 8.280 -0.000 0.000 0.526 95 A N 1.703 124.495 122.820 -0.046 0.000 1.908 95 A HA -0.260 4.060 4.320 0.001 0.000 0.218 95 A C 2.212 179.719 177.584 -0.129 0.000 1.181 95 A CA 1.962 53.925 52.037 -0.123 0.000 0.627 95 A CB -0.472 18.476 19.000 -0.086 0.000 0.818 95 A HN 0.718 8.868 8.150 -0.000 0.000 0.445 96 E N 0.180 120.327 120.200 -0.088 0.000 2.265 96 E HA -0.121 4.229 4.350 0.001 0.000 0.196 96 E C 1.752 178.295 176.600 -0.095 0.000 0.996 96 E CA 1.017 57.370 56.400 -0.077 0.000 0.832 96 E CB -0.530 29.139 29.700 -0.052 0.000 0.756 96 E HN 0.622 8.982 8.360 -0.000 0.000 0.491 97 L N 0.630 121.759 121.223 -0.156 0.000 2.131 97 L HA -0.107 4.234 4.340 0.001 0.000 0.210 97 L C 2.716 179.582 176.870 -0.006 0.000 1.092 97 L CA 1.157 55.872 54.840 -0.209 0.000 0.759 97 L CB -0.403 41.350 42.059 -0.510 0.000 0.903 97 L HN 0.128 8.358 8.230 -0.000 0.000 0.435 98 R N 0.042 120.473 120.500 -0.115 0.000 2.115 98 R HA -0.070 4.271 4.340 0.001 0.000 0.230 98 R C 2.218 178.502 176.300 -0.027 0.000 1.111 98 R CA 1.107 57.159 56.100 -0.080 0.000 0.976 98 R CB -0.226 29.930 30.300 -0.241 0.000 0.870 98 R HN 0.384 8.654 8.270 -0.000 0.000 0.445 99 I N 0.353 120.897 120.570 -0.043 0.000 2.286 99 I HA -0.220 3.951 4.170 0.001 0.000 0.245 99 I C 2.338 178.455 176.117 0.001 0.000 1.104 99 I CA 1.178 62.461 61.300 -0.028 0.000 1.397 99 I CB -0.230 37.749 38.000 -0.035 0.000 1.072 99 I HN 0.094 8.304 8.210 -0.000 0.000 0.417 100 R N 0.990 121.504 120.500 0.023 0.000 2.096 100 R HA -0.128 4.213 4.340 0.001 0.000 0.235 100 R C 2.472 178.810 176.300 0.063 0.000 1.127 100 R CA 1.467 57.598 56.100 0.052 0.000 0.968 100 R CB -0.503 29.860 30.300 0.105 0.000 0.861 100 R HN 0.360 8.630 8.270 -0.000 0.000 0.440 101 A N 1.770 124.651 122.820 0.102 0.000 1.877 101 A HA -0.227 4.093 4.320 0.001 0.000 0.216 101 A C 2.113 179.705 177.584 0.015 0.000 1.186 101 A CA 1.604 53.687 52.037 0.076 0.000 0.620 101 A CB -0.424 18.660 19.000 0.140 0.000 0.822 101 A HN 0.259 8.409 8.150 -0.000 0.000 0.443 102 K N -0.752 119.650 120.400 0.004 0.000 2.032 102 K HA -0.204 4.117 4.320 0.001 0.000 0.209 102 K C 2.225 178.815 176.600 -0.017 0.000 1.048 102 K CA 1.395 57.670 56.287 -0.020 0.000 0.927 102 K CB -0.183 32.300 32.500 -0.029 0.000 0.712 102 K HN 0.270 8.520 8.250 -0.000 0.000 0.441 103 R N 0.035 120.528 120.500 -0.011 0.000 2.105 103 R HA -0.114 4.227 4.340 0.001 0.000 0.239 103 R C 2.104 178.394 176.300 -0.017 0.000 1.135 103 R CA 1.401 57.493 56.100 -0.013 0.000 0.967 103 R CB -0.688 29.607 30.300 -0.009 0.000 0.861 103 R HN 0.330 8.600 8.270 -0.000 0.000 0.442 104 A N -0.005 122.804 122.820 -0.018 0.000 2.235 104 A HA 0.234 4.555 4.320 0.001 0.000 0.208 104 A C 1.232 178.796 177.584 -0.032 0.000 1.172 104 A CA 0.814 52.833 52.037 -0.031 0.000 0.786 104 A CB -0.180 18.793 19.000 -0.045 0.000 0.804 104 A HN 0.440 8.590 8.150 -0.000 0.000 0.479 105 G N -1.298 107.486 108.800 -0.027 0.000 2.198 105 G HA2 -0.150 3.810 3.960 0.001 0.000 0.257 105 G HA3 -0.150 3.810 3.960 0.001 0.000 0.257 105 G C -0.069 174.814 174.900 -0.029 0.000 1.042 105 G CA 0.253 45.337 45.100 -0.026 0.000 0.791 105 G HN 0.858 9.148 8.290 -0.000 0.000 0.502 106 V N 0.085 119.979 119.914 -0.034 0.000 2.495 106 V HA 0.441 4.561 4.120 0.001 0.000 0.298 106 V C 0.460 176.525 176.094 -0.048 0.000 1.031 106 V CA -0.941 61.335 62.300 -0.039 0.000 0.871 106 V CB 1.801 33.593 31.823 -0.052 0.000 0.988 106 V HN 0.432 8.622 8.190 -0.000 0.000 0.432 107 E N 2.451 122.618 120.200 -0.057 0.000 2.354 107 E HA 0.471 4.821 4.350 0.001 0.000 0.269 107 E C -0.116 176.381 176.600 -0.172 0.000 1.036 107 E CA -0.085 56.241 56.400 -0.125 0.000 0.876 107 E CB 1.117 30.779 29.700 -0.063 0.000 1.009 107 E HN 0.801 9.161 8.360 -0.000 0.000 0.416 108 S N 2.184 117.701 115.700 -0.305 0.000 2.548 108 S HA 0.598 5.069 4.470 0.001 0.000 0.286 108 S C -1.333 173.001 174.600 -0.443 0.000 1.098 108 S CA -0.837 57.265 58.200 -0.163 0.000 0.930 108 S CB 0.732 64.046 63.200 0.189 0.000 1.070 108 S HN 0.398 8.708 8.310 -0.000 0.000 0.480 109 Y N 0.256 120.600 120.300 0.073 0.000 2.536 109 Y HA 0.659 5.210 4.550 0.001 0.000 0.347 109 Y C -0.440 175.595 175.900 0.225 0.000 1.000 109 Y CA -1.131 57.037 58.100 0.113 0.000 1.051 109 Y CB 2.126 40.655 38.460 0.115 0.000 1.259 109 Y HN 0.605 8.885 8.280 -0.000 0.000 0.468 110 V N 4.577 124.634 119.914 0.239 0.000 2.417 110 V HA 0.396 4.516 4.120 0.001 0.000 0.291 110 V C -0.677 175.395 176.094 -0.036 0.000 1.024 110 V CA -0.703 61.639 62.300 0.071 0.000 0.861 110 V CB 1.380 33.097 31.823 -0.177 0.000 0.985 110 V HN 0.457 8.647 8.190 -0.000 0.000 0.436 111 I N 4.753 125.328 120.570 0.008 0.000 2.354 111 I HA 0.406 4.576 4.170 0.001 0.000 0.286 111 I C 0.453 176.534 176.117 -0.061 0.000 1.007 111 I CA -0.571 60.730 61.300 0.001 0.000 1.167 111 I CB 0.637 38.682 38.000 0.075 0.000 1.320 111 I HN 0.574 8.784 8.210 -0.000 0.000 0.458 112 H N 4.406 123.537 119.070 0.102 0.000 2.671 112 H HA 0.666 5.223 4.556 0.001 0.000 0.372 112 H C 0.069 175.440 175.328 0.072 0.000 1.227 112 H CA -0.189 55.908 56.048 0.082 0.000 1.426 112 H CB 1.570 31.370 29.762 0.064 0.000 1.480 112 H HN 0.732 9.012 8.280 -0.000 0.000 0.611 113 A N 1.911 124.858 122.820 0.212 0.000 2.602 113 A HA 0.489 4.810 4.320 0.001 0.000 0.290 113 A C -2.766 174.894 177.584 0.127 0.000 1.114 113 A CA -1.660 50.460 52.037 0.139 0.000 0.683 113 A CB 1.041 20.109 19.000 0.112 0.000 1.281 113 A HN 0.372 8.522 8.150 -0.000 0.000 0.416 114 P HA 0.289 4.709 4.420 -0.000 0.000 0.267 114 P C -0.310 177.053 177.300 0.106 0.000 1.200 114 P CA 0.322 63.474 63.100 0.086 0.000 0.772 114 P CB 0.921 32.663 31.700 0.070 0.000 0.855 115 S N 2.223 117.989 115.700 0.109 0.000 2.599 115 S HA 0.353 4.824 4.470 0.001 0.000 0.287 115 S C 1.067 175.741 174.600 0.123 0.000 1.105 115 S CA -0.733 57.558 58.200 0.151 0.000 0.899 115 S CB 0.651 63.976 63.200 0.208 0.000 1.100 115 S HN 0.163 8.473 8.310 -0.000 0.000 0.482 116 I N 2.108 122.758 120.570 0.132 0.000 2.264 116 I HA -0.124 4.047 4.170 0.001 0.000 0.248 116 I C 1.754 177.811 176.117 -0.100 0.000 1.111 116 I CA 1.678 62.974 61.300 -0.006 0.000 1.382 116 I CB -1.261 36.720 38.000 -0.031 0.000 1.060 116 I HN 0.778 8.988 8.210 -0.000 0.000 0.418 117 Y N 1.434 121.761 120.300 0.044 0.000 2.193 117 Y HA -0.285 4.265 4.550 0.001 0.000 0.285 117 Y C 2.923 178.722 175.900 -0.169 0.000 1.166 117 Y CA 2.103 60.171 58.100 -0.053 0.000 1.181 117 Y CB -0.485 37.990 38.460 0.025 0.000 0.976 117 Y HN 0.321 8.601 8.280 -0.000 0.000 0.520 118 S N -1.636 114.086 115.700 0.038 0.000 2.475 118 S HA 0.166 4.637 4.470 0.001 0.000 0.224 118 S C 2.113 176.663 174.600 -0.083 0.000 1.042 118 S CA 0.207 58.380 58.200 -0.046 0.000 0.935 118 S CB -0.459 62.732 63.200 -0.015 0.000 0.801 118 S HN 0.269 8.579 8.310 -0.000 0.000 0.509 119 A N 2.394 125.176 122.820 -0.062 0.000 2.019 119 A HA 0.055 4.376 4.320 0.001 0.000 0.219 119 A C 2.303 179.819 177.584 -0.113 0.000 1.164 119 A CA 1.475 53.472 52.037 -0.067 0.000 0.644 119 A CB -1.192 17.784 19.000 -0.039 0.000 0.805 119 A HN 1.026 9.176 8.150 -0.000 0.000 0.449 120 V N -2.028 117.775 119.914 -0.186 0.000 3.186 120 V HA -0.026 4.095 4.120 0.001 0.000 0.270 120 V C 2.050 178.054 176.094 -0.149 0.000 1.149 120 V CA 1.444 63.620 62.300 -0.207 0.000 1.160 120 V CB -1.750 29.862 31.823 -0.352 0.000 0.758 120 V HN 0.383 8.573 8.190 -0.000 0.000 0.516 121 G N 0.331 109.045 108.800 -0.144 0.000 2.470 121 G HA2 -0.210 3.751 3.960 0.001 0.000 0.220 121 G HA3 -0.210 3.751 3.960 0.001 0.000 0.220 121 G C 1.434 176.260 174.900 -0.123 0.000 1.121 121 G CA 0.875 45.909 45.100 -0.110 0.000 0.766 121 G HN 0.594 8.884 8.290 -0.000 0.000 0.553 122 I N 1.872 122.392 120.570 -0.084 0.000 2.916 122 I HA -0.106 4.064 4.170 0.001 0.000 0.267 122 I C 2.715 178.824 176.117 -0.014 0.000 1.263 122 I CA 1.492 62.776 61.300 -0.027 0.000 1.471 122 I CB 0.046 38.049 38.000 0.006 0.000 1.089 122 I HN 0.288 8.498 8.210 -0.000 0.000 0.468 123 T N -2.708 111.791 114.554 -0.092 0.000 3.118 123 T HA 0.148 4.499 4.350 0.001 0.000 0.260 123 T C 1.572 176.079 174.700 -0.321 0.000 1.139 123 T CA 0.569 62.630 62.100 -0.065 0.000 1.085 123 T CB 0.122 68.954 68.868 -0.061 0.000 0.934 123 T HN 0.521 8.761 8.240 -0.000 0.000 0.518 124 G N 1.093 109.434 108.800 -0.764 0.000 2.199 124 G HA2 -0.217 3.743 3.960 0.001 0.000 0.254 124 G HA3 -0.217 3.743 3.960 0.001 0.000 0.254 124 G C -0.038 174.579 174.900 -0.473 0.000 0.982 124 G CA 0.118 44.460 45.100 -1.263 0.000 0.632 124 G HN 0.634 8.924 8.290 -0.000 0.000 0.529 125 L N 1.219 122.284 121.223 -0.265 0.000 2.349 125 L HA 0.384 4.724 4.340 0.001 0.000 0.275 125 L C 0.966 177.906 176.870 0.116 0.000 1.115 125 L CA -0.945 53.786 54.840 -0.182 0.000 0.820 125 L CB 0.513 42.364 42.059 -0.348 0.000 1.135 125 L HN 0.225 8.455 8.230 -0.000 0.000 0.445 126 H N 2.521 121.668 119.070 0.128 0.000 3.004 126 H HA -0.057 4.500 4.556 0.001 0.000 0.316 126 H C 0.900 176.384 175.328 0.260 0.000 1.014 126 H CA -0.569 55.572 56.048 0.156 0.000 1.454 126 H CB 1.318 31.210 29.762 0.216 0.000 1.472 126 H HN 0.554 8.834 8.280 -0.000 0.000 0.571 127 I N 3.430 124.111 120.570 0.185 0.000 2.264 127 I HA -0.324 3.847 4.170 0.001 0.000 0.248 127 I C 1.234 177.477 176.117 0.210 0.000 1.111 127 I CA 1.368 62.755 61.300 0.146 0.000 1.382 127 I CB -0.273 37.617 38.000 -0.184 0.000 1.060 127 I HN 0.620 8.830 8.210 -0.000 0.000 0.418 128 Y N 0.463 120.898 120.300 0.226 0.000 2.256 128 Y HA -0.212 4.338 4.550 0.001 0.000 0.288 128 Y C 2.161 178.147 175.900 0.144 0.000 1.155 128 Y CA 1.239 59.428 58.100 0.148 0.000 1.203 128 Y CB -0.901 37.607 38.460 0.080 0.000 0.980 128 Y HN 0.122 8.402 8.280 -0.000 0.000 0.530 129 K N -0.391 120.188 120.400 0.298 0.000 2.487 129 K HA 0.041 4.362 4.320 0.001 0.000 0.192 129 K C -0.551 175.959 176.600 -0.150 0.000 1.027 129 K CA -0.052 56.224 56.287 -0.017 0.000 1.054 129 K CB -0.216 32.122 32.500 -0.270 0.000 0.824 129 K HN 0.068 8.318 8.250 -0.000 0.000 0.510 130 F N 0.670 120.664 119.950 0.074 0.000 2.412 130 F HA 0.192 4.720 4.527 0.001 0.000 0.348 130 F C 1.453 177.293 175.800 0.067 0.000 1.102 130 F CA -0.323 57.734 58.000 0.095 0.000 1.196 130 F CB 0.998 40.072 39.000 0.124 0.000 1.144 130 F HN -0.032 8.268 8.300 -0.000 0.000 0.541 131 G N 2.399 111.312 108.800 0.188 0.000 2.849 131 G HA2 0.220 4.180 3.960 0.001 0.000 0.174 131 G HA3 0.220 4.180 3.960 0.001 0.000 0.174 131 G C -0.707 174.304 174.900 0.184 0.000 1.370 131 G CA -0.766 44.417 45.100 0.138 0.000 1.040 131 G HN 0.523 8.813 8.290 -0.000 0.000 0.582 132 K N -0.160 120.324 120.400 0.140 0.000 2.414 132 K HA 0.282 4.603 4.320 0.001 0.000 0.272 132 K C -0.247 176.474 176.600 0.201 0.000 0.993 132 K CA 0.040 56.419 56.287 0.154 0.000 0.964 132 K CB 0.231 32.799 32.500 0.114 0.000 0.925 132 K HN 0.317 8.567 8.250 -0.000 0.000 0.487 133 S N 0.810 116.658 115.700 0.248 0.000 2.681 133 S HA 0.820 5.291 4.470 0.001 0.000 0.299 133 S C -1.024 173.733 174.600 0.262 0.000 1.113 133 S CA -0.762 57.615 58.200 0.295 0.000 1.013 133 S CB 1.840 65.315 63.200 0.459 0.000 1.076 133 S HN 0.786 9.096 8.310 -0.000 0.000 0.534 134 A N 0.709 123.690 122.820 0.267 0.000 2.581 134 A HA 0.802 5.123 4.320 0.001 0.000 0.290 134 A C -1.057 176.674 177.584 0.246 0.000 1.119 134 A CA -0.743 51.440 52.037 0.243 0.000 0.670 134 A CB 1.195 20.336 19.000 0.236 0.000 1.280 134 A HN 0.577 8.727 8.150 -0.000 0.000 0.425 135 T N 0.747 115.415 114.554 0.191 0.000 2.824 135 T HA 0.533 4.884 4.350 0.001 0.000 0.282 135 T C -0.801 173.868 174.700 -0.052 0.000 0.993 135 T CA -0.302 61.867 62.100 0.115 0.000 0.967 135 T CB 1.378 70.314 68.868 0.112 0.000 0.960 135 T HN 0.624 8.864 8.240 -0.000 0.000 0.441 136 V N 3.221 122.973 119.914 -0.271 0.000 2.368 136 V HA 0.617 4.738 4.120 0.001 0.000 0.266 136 V C 0.464 176.333 176.094 -0.375 0.000 1.045 136 V CA -0.597 61.317 62.300 -0.642 0.000 0.899 136 V CB 0.418 31.802 31.823 -0.732 0.000 1.006 136 V HN 1.063 9.253 8.190 -0.000 0.000 0.470 137 A N 4.733 127.408 122.820 -0.242 0.000 2.312 137 A HA 0.739 5.059 4.320 0.001 0.000 0.328 137 A C -0.780 176.666 177.584 -0.231 0.000 1.158 137 A CA -0.580 51.370 52.037 -0.144 0.000 0.821 137 A CB 0.444 19.484 19.000 0.067 0.000 1.170 137 A HN 0.642 8.792 8.150 -0.000 0.000 0.490 138 Y N 1.907 122.151 120.300 -0.093 0.000 2.729 138 Y HA 0.184 4.735 4.550 0.001 0.000 0.331 138 Y C -1.808 173.946 175.900 -0.244 0.000 1.208 138 Y CA -0.903 57.113 58.100 -0.139 0.000 1.521 138 Y CB -0.230 38.214 38.460 -0.027 0.000 1.233 138 Y HN 0.422 8.702 8.280 -0.000 0.000 0.539 139 P HA 0.047 4.467 4.420 -0.000 0.000 0.268 139 P C -0.909 176.342 177.300 -0.081 0.000 1.204 139 P CA -0.059 62.762 63.100 -0.464 0.000 0.768 139 P CB 0.434 31.500 31.700 -1.055 0.000 0.842 140 E N 2.086 122.350 120.200 0.108 0.000 2.278 140 E HA 0.506 4.856 4.350 0.001 0.000 0.272 140 E C 0.310 177.029 176.600 0.198 0.000 0.890 140 E CA -0.901 55.601 56.400 0.169 0.000 0.770 140 E CB 1.115 30.957 29.700 0.237 0.000 1.212 140 E HN 0.531 8.891 8.360 -0.000 0.000 0.415 141 G N 4.403 113.277 108.800 0.124 0.000 2.629 141 G HA2 -0.388 3.573 3.960 0.001 0.000 0.313 141 G HA3 -0.388 3.573 3.960 0.001 0.000 0.313 141 G C 0.316 175.308 174.900 0.153 0.000 1.217 141 G CA 0.454 45.626 45.100 0.121 0.000 0.994 141 G HN 0.651 8.941 8.290 -0.000 0.000 0.549 142 N N 0.529 119.332 118.700 0.173 0.000 2.295 142 N HA 0.191 4.932 4.740 0.001 0.000 0.221 142 N C -0.647 175.032 175.510 0.282 0.000 1.129 142 N CA 0.356 53.516 53.050 0.184 0.000 0.836 142 N CB 0.384 38.951 38.487 0.134 0.000 1.040 142 N HN 0.454 8.834 8.380 -0.000 0.000 0.494 143 W N 0.993 122.349 121.300 0.093 0.000 2.424 143 W HA 0.407 5.067 4.660 0.000 0.000 0.318 143 W C -1.549 175.061 176.519 0.152 0.000 1.016 143 W CA -1.285 56.124 57.345 0.107 0.000 1.268 143 W CB 0.296 29.798 29.460 0.070 0.000 1.297 143 W HN -0.145 8.035 8.180 -0.000 0.000 0.428 144 F N 10.060 129.815 119.950 -0.326 0.000 2.564 144 F HA 0.452 4.979 4.527 0.001 0.000 0.361 144 F C -1.902 173.583 175.800 -0.525 0.000 1.161 144 F CA -3.077 54.691 58.000 -0.386 0.000 1.198 144 F CB 0.389 39.291 39.000 -0.163 0.000 1.424 144 F HN 0.126 8.426 8.300 -0.000 0.000 0.517 145 P HA 0.169 4.589 4.420 -0.000 0.000 0.268 145 P C 0.090 177.331 177.300 -0.098 0.000 1.205 145 P CA 0.126 62.993 63.100 -0.388 0.000 0.771 145 P CB 1.260 32.613 31.700 -0.577 0.000 0.858 146 T N -3.421 110.989 114.554 -0.240 0.000 3.253 146 T HA 0.036 4.386 4.350 0.001 0.000 0.299 146 T C 1.402 175.738 174.700 -0.606 0.000 0.927 146 T CA 0.448 62.213 62.100 -0.558 0.000 0.926 146 T CB -0.740 67.926 68.868 -0.338 0.000 1.183 146 T HN 0.362 8.602 8.240 -0.000 0.000 0.557 147 S N 1.914 117.425 115.700 -0.316 0.000 2.399 147 S HA -0.208 4.263 4.470 0.001 0.000 0.231 147 S C 1.978 176.520 174.600 -0.096 0.000 1.022 147 S CA 1.180 59.307 58.200 -0.122 0.000 0.983 147 S CB -1.169 62.040 63.200 0.016 0.000 0.803 147 S HN 0.793 9.103 8.310 -0.000 0.000 0.480 148 Y N -0.012 120.345 120.300 0.094 0.000 2.333 148 Y HA -0.013 4.538 4.550 0.002 0.000 0.290 148 Y C 2.215 178.163 175.900 0.080 0.000 1.144 148 Y CA 0.355 58.501 58.100 0.076 0.000 1.228 148 Y CB -1.331 37.156 38.460 0.045 0.000 0.985 148 Y HN 0.308 8.588 8.280 -0.000 0.000 0.542 149 Y N 2.033 122.144 120.300 -0.314 0.000 2.145 149 Y HA -0.227 4.324 4.550 0.000 0.000 0.286 149 Y C 1.882 177.769 175.900 -0.021 0.000 1.145 149 Y CA 2.084 60.124 58.100 -0.099 0.000 1.148 149 Y CB -0.407 37.914 38.460 -0.232 0.000 0.981 149 Y HN 0.144 8.424 8.280 -0.000 0.000 0.507 150 D N -0.661 119.808 120.400 0.116 0.000 2.178 150 D HA -0.156 4.484 4.640 0.001 0.000 0.202 150 D C 2.373 178.679 176.300 0.010 0.000 0.974 150 D CA 1.348 55.388 54.000 0.066 0.000 0.841 150 D CB -0.250 40.601 40.800 0.085 0.000 0.953 150 D HN 0.330 8.700 8.370 -0.000 0.000 0.478 151 V N 1.502 121.439 119.914 0.040 0.000 2.295 151 V HA -0.226 3.895 4.120 0.001 0.000 0.246 151 V C 2.563 178.670 176.094 0.023 0.000 1.049 151 V CA 1.124 63.458 62.300 0.057 0.000 1.024 151 V CB -0.353 31.536 31.823 0.111 0.000 0.648 151 V HN 0.154 8.344 8.190 -0.000 0.000 0.447 152 I N -0.148 120.418 120.570 -0.007 0.000 2.163 152 I HA -0.314 3.857 4.170 0.001 0.000 0.243 152 I C 2.587 178.655 176.117 -0.081 0.000 1.085 152 I CA 2.051 63.329 61.300 -0.036 0.000 1.347 152 I CB -0.528 37.431 38.000 -0.068 0.000 1.044 152 I HN 0.283 8.493 8.210 -0.000 0.000 0.408 153 K N 0.914 121.216 120.400 -0.164 0.000 2.020 153 K HA -0.247 4.074 4.320 0.001 0.000 0.212 153 K C 2.087 178.658 176.600 -0.049 0.000 1.050 153 K CA 1.780 57.990 56.287 -0.129 0.000 0.929 153 K CB -0.038 32.382 32.500 -0.133 0.000 0.714 153 K HN 0.205 8.455 8.250 -0.000 0.000 0.443 154 E N 0.688 120.874 120.200 -0.024 0.000 2.110 154 E HA -0.161 4.190 4.350 0.001 0.000 0.193 154 E C 1.864 178.462 176.600 -0.004 0.000 0.988 154 E CA 0.929 57.327 56.400 -0.003 0.000 0.804 154 E CB -0.356 29.352 29.700 0.014 0.000 0.745 154 E HN 0.382 8.742 8.360 -0.000 0.000 0.458 155 N N 0.988 119.687 118.700 -0.003 0.000 2.080 155 N HA -0.085 4.656 4.740 0.001 0.000 0.189 155 N C 1.805 177.298 175.510 -0.029 0.000 1.036 155 N CA 1.525 54.570 53.050 -0.008 0.000 0.846 155 N CB -0.490 38.002 38.487 0.007 0.000 1.015 155 N HN 0.146 8.526 8.380 -0.000 0.000 0.423 156 A N 1.118 123.922 122.820 -0.027 0.000 1.940 156 A HA -0.190 4.130 4.320 0.001 0.000 0.219 156 A C 2.063 179.630 177.584 -0.028 0.000 1.176 156 A CA 1.667 53.687 52.037 -0.029 0.000 0.631 156 A CB -0.643 18.343 19.000 -0.023 0.000 0.814 156 A HN 0.482 8.632 8.150 -0.000 0.000 0.446 157 E N -0.346 119.840 120.200 -0.023 0.000 2.265 157 E HA -0.163 4.188 4.350 0.001 0.000 0.196 157 E C 1.580 178.169 176.600 -0.019 0.000 0.996 157 E CA 0.892 57.282 56.400 -0.017 0.000 0.832 157 E CB -0.019 29.675 29.700 -0.010 0.000 0.756 157 E HN 0.624 8.984 8.360 -0.000 0.000 0.491 158 R N -1.294 119.191 120.500 -0.026 0.000 2.432 158 R HA 0.176 4.517 4.340 0.001 0.000 0.260 158 R C 0.857 177.125 176.300 -0.052 0.000 0.935 158 R CA 0.435 56.517 56.100 -0.031 0.000 1.080 158 R CB 0.998 31.283 30.300 -0.024 0.000 1.155 158 R HN 0.213 8.483 8.270 -0.000 0.000 0.531 159 G N 1.563 110.327 108.800 -0.061 0.000 2.160 159 G HA2 -0.277 3.684 3.960 0.001 0.000 0.251 159 G HA3 -0.277 3.684 3.960 0.001 0.000 0.251 159 G C 0.006 174.800 174.900 -0.177 0.000 1.008 159 G CA 0.041 45.088 45.100 -0.089 0.000 0.724 159 G HN 0.162 8.452 8.290 -0.000 0.000 0.514 160 L N 0.676 121.796 121.223 -0.171 0.000 2.360 160 L HA 0.569 4.909 4.340 0.001 0.000 0.271 160 L C 0.785 177.493 176.870 -0.269 0.000 1.057 160 L CA -1.467 53.205 54.840 -0.280 0.000 0.803 160 L CB 0.885 42.862 42.059 -0.137 0.000 1.207 160 L HN 0.115 8.345 8.230 -0.000 0.000 0.445 161 H N 0.354 119.253 119.070 -0.286 0.000 2.551 161 H HA 0.302 4.859 4.556 0.001 0.000 0.358 161 H C -0.591 174.582 175.328 -0.258 0.000 1.151 161 H CA -0.376 55.411 56.048 -0.434 0.000 1.374 161 H CB 1.076 30.218 29.762 -1.034 0.000 1.473 161 H HN 0.413 8.693 8.280 -0.000 0.000 0.574 162 T N 3.266 117.824 114.554 0.007 0.000 2.815 162 T HA 0.209 4.559 4.350 0.001 0.000 0.289 162 T C -0.028 174.774 174.700 0.170 0.000 1.000 162 T CA -0.697 61.471 62.100 0.114 0.000 0.958 162 T CB 0.918 69.834 68.868 0.080 0.000 0.944 162 T HN 0.229 8.469 8.240 -0.000 0.000 0.442 163 L N 5.500 126.888 121.223 0.276 0.000 2.281 163 L HA 0.550 4.891 4.340 0.001 0.000 0.285 163 L C -1.159 175.690 176.870 -0.035 0.000 1.074 163 L CA -0.173 54.728 54.840 0.103 0.000 0.817 163 L CB 0.037 42.082 42.059 -0.024 0.000 1.168 163 L HN 0.584 8.814 8.230 -0.000 0.000 0.434 164 L N 6.407 127.549 121.223 -0.136 0.000 2.318 164 L HA 0.419 4.760 4.340 0.001 0.000 0.277 164 L C -0.614 176.122 176.870 -0.222 0.000 1.008 164 L CA -0.441 54.331 54.840 -0.114 0.000 0.846 164 L CB 0.783 42.778 42.059 -0.107 0.000 1.220 164 L HN 0.453 8.683 8.230 -0.000 0.000 0.423 165 F N 3.300 123.186 119.950 -0.107 0.000 2.418 165 F HA 0.329 4.856 4.527 0.001 0.000 0.341 165 F C 0.477 176.208 175.800 -0.116 0.000 1.120 165 F CA -0.032 57.905 58.000 -0.105 0.000 1.232 165 F CB 0.726 39.673 39.000 -0.088 0.000 1.175 165 F HN 0.221 8.521 8.300 -0.000 0.000 0.569 166 L N 2.161 123.420 121.223 0.060 0.000 2.334 166 L HA 0.320 4.661 4.340 0.001 0.000 0.275 166 L C -0.078 176.782 176.870 -0.017 0.000 1.036 166 L CA -1.121 53.693 54.840 -0.044 0.000 0.807 166 L CB 1.192 43.220 42.059 -0.053 0.000 1.231 166 L HN 0.485 8.715 8.230 -0.000 0.000 0.438 167 D N 1.859 122.178 120.400 -0.134 0.000 2.390 167 D HA 0.373 5.014 4.640 0.001 0.000 0.236 167 D C -0.588 175.712 176.300 -0.001 0.000 1.189 167 D CA 0.608 54.558 54.000 -0.082 0.000 0.887 167 D CB 0.740 41.418 40.800 -0.204 0.000 1.198 167 D HN 0.226 8.596 8.370 -0.000 0.000 0.444 168 I N 1.445 122.045 120.570 0.049 0.000 2.752 168 I HA 0.138 4.308 4.170 0.001 0.000 0.295 168 I C -0.292 175.833 176.117 0.012 0.000 1.219 168 I CA -0.954 60.335 61.300 -0.018 0.000 1.030 168 I CB 2.181 40.093 38.000 -0.147 0.000 1.259 168 I HN 0.002 8.212 8.210 -0.000 0.000 0.423 169 K N 4.504 124.885 120.400 -0.032 0.000 2.363 169 K HA 0.383 4.704 4.320 0.001 0.000 0.240 169 K C 0.832 177.391 176.600 -0.069 0.000 1.169 169 K CA -0.186 56.092 56.287 -0.015 0.000 1.131 169 K CB 0.806 33.293 32.500 -0.022 0.000 1.771 169 K HN 0.795 9.045 8.250 -0.000 0.000 0.380 170 A N 2.368 125.164 122.820 -0.040 0.000 1.883 170 A HA -0.327 3.993 4.320 0.001 0.000 0.222 170 A C 1.828 179.414 177.584 0.004 0.000 1.339 170 A CA 2.156 54.183 52.037 -0.017 0.000 0.692 170 A CB -0.362 18.686 19.000 0.081 0.000 0.845 170 A HN 0.555 8.705 8.150 -0.000 0.000 0.467 171 E N -0.158 120.064 120.200 0.038 0.000 2.085 171 E HA -0.157 4.193 4.350 0.001 0.000 0.194 171 E C 1.875 178.481 176.600 0.010 0.000 0.994 171 E CA 1.761 58.185 56.400 0.040 0.000 0.801 171 E CB -0.205 29.518 29.700 0.039 0.000 0.743 171 E HN 0.753 9.113 8.360 -0.000 0.000 0.453 172 K N -0.012 120.381 120.400 -0.012 0.000 2.444 172 K HA 0.189 4.510 4.320 0.001 0.000 0.193 172 K C -0.160 176.421 176.600 -0.032 0.000 1.024 172 K CA -0.037 56.239 56.287 -0.018 0.000 1.077 172 K CB 0.245 32.733 32.500 -0.020 0.000 0.833 172 K HN -0.026 8.224 8.250 -0.000 0.000 0.517 173 R N 0.680 121.133 120.500 -0.078 0.000 3.416 173 R HA -0.167 4.174 4.340 0.001 0.000 0.263 173 R C -0.801 175.437 176.300 -0.103 0.000 1.053 173 R CA 0.603 56.631 56.100 -0.121 0.000 0.705 173 R CB -1.914 28.390 30.300 0.007 0.000 1.124 173 R HN 0.267 8.537 8.270 -0.000 0.000 0.444 174 M N 0.801 120.296 119.600 -0.175 0.000 2.227 174 M HA 0.386 4.867 4.480 0.001 0.000 0.335 174 M C -0.711 175.539 176.300 -0.085 0.000 1.053 174 M CA -0.580 54.707 55.300 -0.023 0.000 0.973 174 M CB 1.454 34.056 32.600 0.004 0.000 1.623 174 M HN -0.070 8.220 8.290 -0.000 0.000 0.434 175 Y N 1.943 122.278 120.300 0.059 0.000 2.409 175 Y HA 0.536 5.087 4.550 0.001 0.000 0.339 175 Y C 0.121 176.059 175.900 0.063 0.000 1.033 175 Y CA -1.095 57.034 58.100 0.048 0.000 1.094 175 Y CB 1.422 39.867 38.460 -0.025 0.000 1.210 175 Y HN 0.619 8.899 8.280 -0.000 0.000 0.456 176 M N 3.706 123.414 119.600 0.179 0.000 2.185 176 M HA 0.264 4.745 4.480 0.001 0.000 0.357 176 M C -0.068 176.238 176.300 0.010 0.000 1.260 176 M CA -0.222 55.104 55.300 0.044 0.000 1.124 176 M CB 0.548 32.967 32.600 -0.301 0.000 1.600 176 M HN 0.925 9.215 8.290 -0.000 0.000 0.467 177 T N 2.165 116.740 114.554 0.035 0.000 2.874 177 T HA 0.541 4.892 4.350 0.001 0.000 0.281 177 T C 1.029 175.848 174.700 0.198 0.000 0.994 177 T CA -0.351 61.795 62.100 0.077 0.000 1.015 177 T CB 1.340 70.301 68.868 0.155 0.000 1.028 177 T HN 0.758 8.998 8.240 -0.000 0.000 0.523 178 A N 1.591 124.661 122.820 0.416 0.000 1.972 178 A HA -0.087 4.234 4.320 0.001 0.000 0.219 178 A C 2.103 179.789 177.584 0.170 0.000 1.169 178 A CA 1.691 53.813 52.037 0.141 0.000 0.635 178 A CB -1.274 17.637 19.000 -0.148 0.000 0.810 178 A HN 0.913 9.063 8.150 -0.000 0.000 0.446 179 N N 0.205 119.075 118.700 0.284 0.000 2.084 179 N HA -0.139 4.602 4.740 0.001 0.000 0.190 179 N C 1.637 177.238 175.510 0.151 0.000 1.030 179 N CA 1.676 54.870 53.050 0.239 0.000 0.849 179 N CB -0.294 38.331 38.487 0.229 0.000 1.012 179 N HN 0.647 9.027 8.380 -0.000 0.000 0.423 180 E N 0.347 120.619 120.200 0.120 0.000 2.110 180 E HA -0.104 4.247 4.350 0.001 0.000 0.193 180 E C 2.006 178.609 176.600 0.005 0.000 0.988 180 E CA 0.953 57.398 56.400 0.074 0.000 0.804 180 E CB -0.128 29.621 29.700 0.082 0.000 0.745 180 E HN 0.433 8.793 8.360 -0.000 0.000 0.458 181 A N 1.147 123.944 122.820 -0.038 0.000 1.902 181 A HA -0.191 4.130 4.320 0.001 0.000 0.217 181 A C 2.165 179.688 177.584 -0.100 0.000 1.181 181 A CA 1.332 53.290 52.037 -0.133 0.000 0.623 181 A CB -0.431 18.474 19.000 -0.157 0.000 0.818 181 A HN 0.135 8.285 8.150 -0.000 0.000 0.443 182 M N -0.805 118.810 119.600 0.026 0.000 2.117 182 M HA -0.150 4.331 4.480 0.001 0.000 0.262 182 M C 2.074 178.470 176.300 0.159 0.000 1.065 182 M CA 1.328 56.720 55.300 0.153 0.000 1.114 182 M CB -0.450 32.322 32.600 0.287 0.000 1.361 182 M HN 0.363 8.653 8.290 -0.000 0.000 0.408 183 E N 0.706 120.980 120.200 0.124 0.000 2.058 183 E HA -0.168 4.183 4.350 0.001 0.000 0.194 183 E C 2.089 178.759 176.600 0.116 0.000 0.997 183 E CA 1.313 57.789 56.400 0.127 0.000 0.801 183 E CB -0.572 29.193 29.700 0.108 0.000 0.746 183 E HN 0.534 8.894 8.360 -0.000 0.000 0.450 184 L N 0.424 121.687 121.223 0.067 0.000 2.012 184 L HA -0.197 4.144 4.340 0.001 0.000 0.210 184 L C 2.690 179.641 176.870 0.136 0.000 1.073 184 L CA 0.877 55.779 54.840 0.103 0.000 0.748 184 L CB -0.452 41.611 42.059 0.006 0.000 0.891 184 L HN 0.112 8.342 8.230 -0.000 0.000 0.431 185 L N -0.650 120.563 121.223 -0.016 0.000 2.083 185 L HA -0.251 4.090 4.340 0.001 0.000 0.209 185 L C 2.464 179.411 176.870 0.128 0.000 1.083 185 L CA 1.158 55.931 54.840 -0.111 0.000 0.752 185 L CB -0.364 41.080 42.059 -1.024 0.000 0.899 185 L HN 0.276 8.506 8.230 -0.000 0.000 0.433 186 L N -0.673 120.691 121.223 0.235 0.000 2.201 186 L HA -0.200 4.141 4.340 0.001 0.000 0.212 186 L C 2.511 179.489 176.870 0.179 0.000 1.105 186 L CA 1.191 56.213 54.840 0.305 0.000 0.775 186 L CB -0.333 41.891 42.059 0.276 0.000 0.913 186 L HN 0.223 8.453 8.230 -0.000 0.000 0.440 187 K N -0.605 119.885 120.400 0.150 0.000 2.103 187 K HA -0.072 4.248 4.320 0.001 0.000 0.204 187 K C 2.013 178.614 176.600 0.001 0.000 1.052 187 K CA 0.814 57.160 56.287 0.099 0.000 0.945 187 K CB -0.007 32.602 32.500 0.181 0.000 0.722 187 K HN 0.065 8.315 8.250 -0.000 0.000 0.443 188 V N 1.514 121.440 119.914 0.020 0.000 2.515 188 V HA -0.200 3.921 4.120 0.001 0.000 0.250 188 V C 2.225 178.136 176.094 -0.305 0.000 1.058 188 V CA 1.791 63.983 62.300 -0.181 0.000 1.064 188 V CB -0.331 31.424 31.823 -0.113 0.000 0.675 188 V HN 0.325 8.515 8.190 -0.000 0.000 0.461 189 E N 0.757 120.934 120.200 -0.038 0.000 2.110 189 E HA -0.222 4.128 4.350 0.001 0.000 0.193 189 E C 1.731 178.317 176.600 -0.024 0.000 0.988 189 E CA 1.514 57.950 56.400 0.060 0.000 0.804 189 E CB -0.327 29.543 29.700 0.284 0.000 0.745 189 E HN 0.556 8.916 8.360 -0.000 0.000 0.458 190 D N -0.277 120.108 120.400 -0.026 0.000 2.178 190 D HA -0.121 4.520 4.640 0.001 0.000 0.202 190 D C 1.784 178.027 176.300 -0.095 0.000 0.974 190 D CA 1.521 55.499 54.000 -0.038 0.000 0.841 190 D CB -0.209 40.580 40.800 -0.019 0.000 0.953 190 D HN 0.528 8.898 8.370 -0.000 0.000 0.478 191 M N -2.078 117.419 119.600 -0.171 0.000 2.428 191 M HA 0.247 4.728 4.480 0.001 0.000 0.239 191 M C 0.969 177.131 176.300 -0.231 0.000 1.121 191 M CA 0.329 55.508 55.300 -0.202 0.000 1.019 191 M CB 0.661 33.100 32.600 -0.268 0.000 1.485 191 M HN -0.284 8.006 8.290 -0.000 0.000 0.484 192 K N 1.035 121.273 120.400 -0.270 0.000 2.367 192 K HA 0.209 4.530 4.320 0.001 0.000 0.198 192 K C 0.373 176.910 176.600 -0.104 0.000 1.132 192 K CA 0.208 56.323 56.287 -0.286 0.000 0.941 192 K CB 0.370 32.448 32.500 -0.704 0.000 1.052 192 K HN 0.141 8.391 8.250 -0.000 0.000 0.507 193 K N 0.417 120.786 120.400 -0.052 0.000 3.035 193 K HA -0.158 4.162 4.320 0.001 0.000 0.262 193 K C 0.684 177.328 176.600 0.073 0.000 1.024 193 K CA 0.685 56.984 56.287 0.020 0.000 0.748 193 K CB -1.809 30.689 32.500 -0.003 0.000 1.247 193 K HN 0.458 8.708 8.250 -0.000 0.000 0.482 194 G N -0.713 108.187 108.800 0.167 0.000 3.042 194 G HA2 0.341 4.301 3.960 0.001 0.000 0.212 194 G HA3 0.341 4.301 3.960 0.001 0.000 0.212 194 G C 1.027 176.023 174.900 0.160 0.000 1.166 194 G CA 0.324 45.540 45.100 0.194 0.000 0.767 194 G HN 0.909 9.199 8.290 -0.000 0.000 0.546 195 G N -0.363 108.535 108.800 0.164 0.000 2.249 195 G HA2 -0.277 3.683 3.960 0.001 0.000 0.273 195 G HA3 -0.277 3.683 3.960 0.001 0.000 0.273 195 G C 0.907 175.867 174.900 0.099 0.000 1.036 195 G CA 0.493 45.659 45.100 0.109 0.000 0.824 195 G HN 0.506 8.796 8.290 -0.000 0.000 0.504 196 V N -1.647 118.358 119.914 0.151 0.000 2.685 196 V HA 0.421 4.542 4.120 0.001 0.000 0.244 196 V C 0.786 176.962 176.094 0.136 0.000 1.054 196 V CA 1.631 63.947 62.300 0.027 0.000 1.076 196 V CB 0.088 31.702 31.823 -0.347 0.000 0.725 196 V HN 0.463 8.653 8.190 -0.000 0.000 0.467 197 F N 1.309 121.308 119.950 0.081 0.000 2.612 197 F HA 0.574 5.101 4.527 0.001 0.000 0.332 197 F C -0.009 175.860 175.800 0.114 0.000 1.167 197 F CA -0.341 57.717 58.000 0.097 0.000 0.970 197 F CB 1.456 40.542 39.000 0.143 0.000 1.234 197 F HN 0.078 8.378 8.300 -0.000 0.000 0.453 198 T N 0.192 114.653 114.554 -0.153 0.000 2.742 198 T HA 0.303 4.654 4.350 0.001 0.000 0.282 198 T C 0.465 175.063 174.700 -0.170 0.000 1.025 198 T CA -0.702 61.359 62.100 -0.066 0.000 1.020 198 T CB 1.485 70.337 68.868 -0.027 0.000 1.317 198 T HN 0.298 8.538 8.240 -0.000 0.000 0.538 199 D N 0.430 120.789 120.400 -0.068 0.000 2.263 199 D HA -0.047 4.593 4.640 0.001 0.000 0.208 199 D C 0.750 177.002 176.300 -0.081 0.000 0.971 199 D CA 1.050 55.017 54.000 -0.054 0.000 0.867 199 D CB -0.004 40.785 40.800 -0.019 0.000 0.929 199 D HN 0.541 8.911 8.370 -0.000 0.000 0.492 200 D N -0.104 120.220 120.400 -0.127 0.000 2.363 200 D HA 0.016 4.657 4.640 0.001 0.000 0.214 200 D C 0.084 176.335 176.300 -0.081 0.000 1.093 200 D CA 0.165 54.045 54.000 -0.200 0.000 0.837 200 D CB 0.447 41.093 40.800 -0.255 0.000 0.948 200 D HN -0.017 8.353 8.370 -0.000 0.000 0.507 201 T N 1.717 116.207 114.554 -0.108 0.000 2.851 201 T HA 0.167 4.518 4.350 0.001 0.000 0.298 201 T C 0.184 174.896 174.700 0.020 0.000 0.977 201 T CA -0.462 61.566 62.100 -0.119 0.000 1.126 201 T CB 1.259 69.860 68.868 -0.445 0.000 0.916 201 T HN -0.034 8.206 8.240 -0.000 0.000 0.529 202 L N 6.541 127.809 121.223 0.075 0.000 2.331 202 L HA 0.603 4.944 4.340 0.001 0.000 0.278 202 L C -0.287 176.534 176.870 -0.083 0.000 1.106 202 L CA -0.050 54.761 54.840 -0.047 0.000 0.824 202 L CB 0.353 42.362 42.059 -0.082 0.000 1.142 202 L HN 0.506 8.736 8.230 -0.000 0.000 0.443 203 V N 3.112 122.966 119.914 -0.101 0.000 3.130 203 V HA 0.828 4.948 4.120 0.001 0.000 0.310 203 V C -0.923 175.108 176.094 -0.104 0.000 1.158 203 V CA -0.797 61.468 62.300 -0.058 0.000 1.029 203 V CB 1.944 33.779 31.823 0.021 0.000 1.057 203 V HN 0.511 8.701 8.190 -0.000 0.000 0.436 204 V N 1.605 121.451 119.914 -0.113 0.000 2.656 204 V HA 0.672 4.793 4.120 0.001 0.000 0.307 204 V C -0.510 175.461 176.094 -0.204 0.000 1.051 204 V CA -0.514 61.697 62.300 -0.147 0.000 0.893 204 V CB 1.884 33.627 31.823 -0.134 0.000 0.999 204 V HN 0.826 9.016 8.190 -0.000 0.000 0.426 205 V N 5.417 125.151 119.914 -0.300 0.000 2.448 205 V HA 0.533 4.654 4.120 0.001 0.000 0.295 205 V C -0.732 175.147 176.094 -0.357 0.000 1.025 205 V CA -0.594 61.428 62.300 -0.465 0.000 0.859 205 V CB 1.763 32.969 31.823 -1.028 0.000 0.988 205 V HN 0.653 8.843 8.190 -0.000 0.000 0.431 206 L N 5.351 126.397 121.223 -0.294 0.000 2.342 206 L HA 0.900 5.241 4.340 0.001 0.000 0.276 206 L C 0.003 176.753 176.870 -0.199 0.000 0.997 206 L CA -0.362 54.355 54.840 -0.206 0.000 0.838 206 L CB 1.094 43.057 42.059 -0.159 0.000 1.224 206 L HN 0.722 8.951 8.230 -0.000 0.000 0.416 207 A N 4.701 127.410 122.820 -0.185 0.000 2.318 207 A HA 0.767 5.088 4.320 0.001 0.000 0.324 207 A C 0.262 177.792 177.584 -0.090 0.000 1.170 207 A CA -0.559 51.415 52.037 -0.105 0.000 0.810 207 A CB 0.426 19.334 19.000 -0.155 0.000 1.198 207 A HN 0.808 8.958 8.150 -0.000 0.000 0.484 208 R N -0.167 120.293 120.500 -0.066 0.000 3.332 208 R HA -0.177 4.164 4.340 0.001 0.000 0.263 208 R C 0.446 176.551 176.300 -0.325 0.000 1.053 208 R CA 0.476 56.419 56.100 -0.261 0.000 0.705 208 R CB -2.313 27.732 30.300 -0.425 0.000 1.166 208 R HN 1.386 9.656 8.270 -0.000 0.000 0.427 209 A N 0.232 122.964 122.820 -0.146 0.000 2.540 209 A HA 0.423 4.744 4.320 0.001 0.000 0.239 209 A C 1.710 179.238 177.584 -0.094 0.000 1.061 209 A CA 1.134 53.105 52.037 -0.110 0.000 0.758 209 A CB 0.189 19.152 19.000 -0.063 0.000 0.991 209 A HN 1.070 9.220 8.150 -0.000 0.000 0.502 210 G N 0.978 109.730 108.800 -0.081 0.000 2.308 210 G HA2 -0.182 3.779 3.960 0.001 0.000 0.221 210 G HA3 -0.182 3.779 3.960 0.001 0.000 0.221 210 G C 0.829 175.693 174.900 -0.061 0.000 1.032 210 G CA 0.753 45.846 45.100 -0.013 0.000 0.623 210 G HN 2.201 10.491 8.290 -0.000 0.000 0.506 211 S N 0.508 116.034 115.700 -0.290 0.000 2.600 211 S HA 0.615 5.086 4.470 0.001 0.000 0.265 211 S C 1.445 175.963 174.600 -0.137 0.000 1.325 211 S CA 0.067 58.089 58.200 -0.297 0.000 1.002 211 S CB 1.316 64.108 63.200 -0.682 0.000 0.921 211 S HN 0.536 8.846 8.310 -0.000 0.000 0.554 212 L N 0.547 121.728 121.223 -0.069 0.000 2.478 212 L HA 0.140 4.481 4.340 0.001 0.000 0.223 212 L C 0.442 177.279 176.870 -0.055 0.000 1.140 212 L CA 0.404 55.219 54.840 -0.041 0.000 0.842 212 L CB -0.380 41.673 42.059 -0.010 0.000 0.953 212 L HN 0.650 8.880 8.230 -0.000 0.000 0.452 213 N N 0.314 118.963 118.700 -0.085 0.000 2.723 213 N HA 0.250 4.991 4.740 0.001 0.000 0.290 213 N C -2.477 172.969 175.510 -0.107 0.000 1.882 213 N CA -0.762 52.243 53.050 -0.075 0.000 0.851 213 N CB 0.981 39.438 38.487 -0.049 0.000 1.234 213 N HN 0.065 8.445 8.380 -0.000 0.000 0.491 214 P HA 0.204 4.624 4.420 -0.000 0.000 0.276 214 P C -0.270 176.982 177.300 -0.080 0.000 1.252 214 P CA -0.013 63.009 63.100 -0.130 0.000 0.802 214 P CB 1.207 32.830 31.700 -0.128 0.000 1.035 215 T N 1.985 116.495 114.554 -0.074 0.000 2.771 215 T HA 0.531 4.881 4.350 0.001 0.000 0.281 215 T C 0.117 174.781 174.700 -0.061 0.000 0.982 215 T CA -0.246 61.831 62.100 -0.039 0.000 0.978 215 T CB -0.019 68.852 68.868 0.005 0.000 0.930 215 T HN 0.213 8.453 8.240 -0.000 0.000 0.447 216 I N 4.255 124.803 120.570 -0.038 0.000 2.439 216 I HA 0.499 4.670 4.170 0.001 0.000 0.283 216 I C -0.058 176.043 176.117 -0.026 0.000 1.023 216 I CA -0.885 60.388 61.300 -0.046 0.000 1.100 216 I CB 1.089 39.083 38.000 -0.010 0.000 1.238 216 I HN 0.238 8.448 8.210 -0.000 0.000 0.445 217 R N 4.356 124.827 120.500 -0.049 0.000 2.744 217 R HA 0.902 5.243 4.340 0.001 0.000 0.279 217 R C -1.227 175.040 176.300 -0.055 0.000 0.977 217 R CA -1.016 55.086 56.100 0.002 0.000 0.906 217 R CB 2.681 33.091 30.300 0.184 0.000 1.197 217 R HN 0.713 8.983 8.270 -0.000 0.000 0.463 218 A N 0.302 123.094 122.820 -0.046 0.000 2.486 218 A HA 0.884 5.205 4.320 0.001 0.000 0.300 218 A C -0.623 176.883 177.584 -0.129 0.000 1.048 218 A CA -0.095 51.884 52.037 -0.098 0.000 0.696 218 A CB 2.312 21.247 19.000 -0.108 0.000 1.278 218 A HN 0.826 8.976 8.150 -0.000 0.000 0.405 219 G N -0.363 108.319 108.800 -0.196 0.000 2.317 219 G HA2 0.484 4.444 3.960 0.001 0.000 0.293 219 G HA3 0.484 4.444 3.960 0.001 0.000 0.293 219 G C -1.808 172.889 174.900 -0.338 0.000 1.287 219 G CA -0.722 44.184 45.100 -0.324 0.000 0.850 219 G HN 0.706 8.996 8.290 -0.000 0.000 0.515 220 Y N 0.027 120.312 120.300 -0.025 0.000 2.309 220 Y HA 0.367 4.917 4.550 0.001 0.000 0.327 220 Y C 2.036 177.912 175.900 -0.039 0.000 1.172 220 Y CA -0.164 57.904 58.100 -0.054 0.000 1.280 220 Y CB 1.269 39.697 38.460 -0.053 0.000 1.234 220 Y HN 0.228 8.508 8.280 -0.000 0.000 0.512 221 V N 2.803 122.759 119.914 0.070 0.000 2.278 221 V HA -0.405 3.716 4.120 0.001 0.000 0.251 221 V C 2.151 178.298 176.094 0.087 0.000 1.062 221 V CA 2.614 64.938 62.300 0.040 0.000 1.038 221 V CB -0.615 31.147 31.823 -0.102 0.000 0.646 221 V HN 0.919 9.109 8.190 -0.000 0.000 0.447 222 K N -0.097 120.349 120.400 0.077 0.000 2.152 222 K HA -0.231 4.089 4.320 0.001 0.000 0.206 222 K C 1.410 178.056 176.600 0.077 0.000 1.048 222 K CA 2.126 58.455 56.287 0.069 0.000 0.933 222 K CB -0.381 32.144 32.500 0.042 0.000 0.721 222 K HN 0.449 8.699 8.250 -0.000 0.000 0.447 223 D N 0.245 120.705 120.400 0.099 0.000 2.327 223 D HA 0.027 4.668 4.640 0.001 0.000 0.205 223 D C 1.552 177.895 176.300 0.072 0.000 0.989 223 D CA 0.558 54.605 54.000 0.078 0.000 0.873 223 D CB 0.280 41.132 40.800 0.086 0.000 0.955 223 D HN 0.151 8.521 8.370 -0.000 0.000 0.515 224 L N 0.530 121.822 121.223 0.115 0.000 2.556 224 L HA 0.225 4.566 4.340 0.001 0.000 0.226 224 L C 2.044 179.046 176.870 0.220 0.000 1.089 224 L CA 0.195 55.150 54.840 0.191 0.000 0.864 224 L CB 0.083 42.322 42.059 0.300 0.000 1.067 224 L HN -0.088 8.142 8.230 -0.000 0.000 0.477 225 I N -0.213 120.460 120.570 0.171 0.000 2.530 225 I HA -0.280 3.891 4.170 0.001 0.000 0.257 225 I C 1.610 177.801 176.117 0.123 0.000 1.179 225 I CA 1.432 62.837 61.300 0.175 0.000 1.440 225 I CB 0.068 38.158 38.000 0.150 0.000 1.087 225 I HN 0.244 8.454 8.210 -0.000 0.000 0.440 226 R N 0.138 120.670 120.500 0.053 0.000 2.577 226 R HA 0.201 4.541 4.340 0.001 0.000 0.344 226 R C 0.100 176.345 176.300 -0.093 0.000 1.037 226 R CA -0.175 55.927 56.100 0.004 0.000 1.102 226 R CB 0.308 30.614 30.300 0.010 0.000 1.313 226 R HN 0.333 8.603 8.270 -0.000 0.000 0.561 227 E N 1.558 121.632 120.200 -0.211 0.000 2.313 227 E HA 0.007 4.358 4.350 0.001 0.000 0.272 227 E C -0.873 175.301 176.600 -0.710 0.000 1.038 227 E CA -0.497 55.620 56.400 -0.471 0.000 0.863 227 E CB 0.952 30.275 29.700 -0.628 0.000 1.060 227 E HN -0.109 8.251 8.360 -0.000 0.000 0.402 228 D N 3.681 123.769 120.400 -0.521 0.000 2.339 228 D HA 0.057 4.697 4.640 0.001 0.000 0.241 228 D C -0.442 175.588 176.300 -0.450 0.000 1.183 228 D CA -0.198 53.592 54.000 -0.350 0.000 0.859 228 D CB 0.241 40.947 40.800 -0.157 0.000 1.067 228 D HN 0.377 8.747 8.370 -0.000 0.000 0.484 229 F N 2.199 122.140 119.950 -0.015 0.000 2.693 229 F HA 0.327 4.855 4.527 0.001 0.000 0.303 229 F C 1.702 177.472 175.800 -0.050 0.000 1.097 229 F CA 0.373 58.301 58.000 -0.120 0.000 1.330 229 F CB -0.004 38.770 39.000 -0.377 0.000 1.067 229 F HN 0.584 8.884 8.300 -0.000 0.000 0.565 230 G N 0.210 109.104 108.800 0.158 0.000 2.728 230 G HA2 -0.204 3.757 3.960 0.001 0.000 0.294 230 G HA3 -0.204 3.757 3.960 0.001 0.000 0.294 230 G C -0.858 174.190 174.900 0.247 0.000 1.342 230 G CA -1.070 44.119 45.100 0.147 0.000 0.866 230 G HN 0.031 8.321 8.290 -0.000 0.000 0.534 231 D N 2.162 122.644 120.400 0.135 0.000 2.378 231 D HA 0.411 5.052 4.640 0.001 0.000 0.238 231 D C -1.159 175.176 176.300 0.057 0.000 1.180 231 D CA 0.127 54.166 54.000 0.066 0.000 0.895 231 D CB 0.473 41.290 40.800 0.028 0.000 1.192 231 D HN 0.381 8.751 8.370 -0.000 0.000 0.438 232 P HA 0.231 4.651 4.420 -0.000 0.000 0.277 232 P C -2.608 174.534 177.300 -0.264 0.000 1.271 232 P CA -1.080 61.783 63.100 -0.395 0.000 0.795 232 P CB -0.017 31.223 31.700 -0.766 0.000 1.101 233 P HA 0.248 4.668 4.420 -0.000 0.000 0.276 233 P C -0.756 176.638 177.300 0.156 0.000 1.252 233 P CA 0.006 63.064 63.100 -0.070 0.000 0.802 233 P CB 0.818 32.599 31.700 0.134 0.000 1.035 234 H N 0.179 119.242 119.070 -0.011 0.000 2.524 234 H HA 0.507 5.064 4.556 0.001 0.000 0.353 234 H C -0.341 174.929 175.328 -0.097 0.000 1.136 234 H CA -1.013 54.995 56.048 -0.067 0.000 1.193 234 H CB 1.714 31.440 29.762 -0.061 0.000 1.558 234 H HN 0.209 8.489 8.280 -0.000 0.000 0.515 235 I N 3.155 123.693 120.570 -0.054 0.000 2.545 235 I HA 0.171 4.342 4.170 0.001 0.000 0.292 235 I C -0.795 175.205 176.117 -0.195 0.000 1.040 235 I CA -0.649 60.549 61.300 -0.169 0.000 1.068 235 I CB 2.079 39.930 38.000 -0.248 0.000 1.251 235 I HN 0.334 8.544 8.210 -0.000 0.000 0.424 236 L N 7.524 128.634 121.223 -0.188 0.000 2.346 236 L HA 0.663 5.004 4.340 0.001 0.000 0.276 236 L C -0.979 175.821 176.870 -0.117 0.000 1.006 236 L CA -0.127 54.620 54.840 -0.155 0.000 0.817 236 L CB 1.445 43.432 42.059 -0.121 0.000 1.272 236 L HN 0.380 8.610 8.230 -0.000 0.000 0.421 237 I N 5.102 125.624 120.570 -0.081 0.000 2.498 237 I HA 0.412 4.582 4.170 0.001 0.000 0.290 237 I C -0.976 175.131 176.117 -0.016 0.000 1.032 237 I CA -0.958 60.324 61.300 -0.030 0.000 1.073 237 I CB 2.202 40.192 38.000 -0.016 0.000 1.251 237 I HN 0.187 8.397 8.210 -0.000 0.000 0.426 238 V N 7.466 127.391 119.914 0.018 0.000 2.294 238 V HA 0.296 4.417 4.120 0.001 0.000 0.272 238 V C -2.261 173.828 176.094 -0.008 0.000 1.027 238 V CA -1.742 60.584 62.300 0.043 0.000 0.823 238 V CB 0.941 32.838 31.823 0.125 0.000 1.030 238 V HN 0.534 8.724 8.190 -0.000 0.000 0.457 239 P HA 0.229 4.649 4.420 -0.000 0.000 0.271 239 P C 0.597 177.963 177.300 0.111 0.000 1.218 239 P CA 0.372 63.451 63.100 -0.034 0.000 0.780 239 P CB 1.007 32.596 31.700 -0.185 0.000 0.901 240 G N 2.307 111.275 108.800 0.279 0.000 3.286 240 G HA2 0.222 4.183 3.960 0.001 0.000 0.173 240 G HA3 0.222 4.183 3.960 0.001 0.000 0.173 240 G C -0.539 174.384 174.900 0.038 0.000 1.704 240 G CA -0.450 44.671 45.100 0.036 0.000 1.041 240 G HN 0.561 8.851 8.290 -0.000 0.000 0.561 241 K N 0.199 120.585 120.400 -0.023 0.000 2.276 241 K HA 0.476 4.797 4.320 0.001 0.000 0.283 241 K C -0.700 175.916 176.600 0.027 0.000 1.044 241 K CA -0.340 55.944 56.287 -0.005 0.000 0.944 241 K CB 1.333 33.816 32.500 -0.028 0.000 1.012 241 K HN 0.197 8.447 8.250 -0.000 0.000 0.472 242 L N 3.852 125.089 121.223 0.024 0.000 2.325 242 L HA 0.362 4.702 4.340 0.001 0.000 0.279 242 L C 0.162 177.023 176.870 -0.016 0.000 1.054 242 L CA -1.292 53.552 54.840 0.007 0.000 0.804 242 L CB 1.359 43.404 42.059 -0.025 0.000 1.200 242 L HN 0.782 9.012 8.230 -0.000 0.000 0.436 243 M N 1.256 120.830 119.600 -0.043 0.000 2.368 243 M HA 0.332 4.812 4.480 0.001 0.000 0.311 243 M C 0.670 176.957 176.300 -0.021 0.000 1.168 243 M CA 0.107 55.396 55.300 -0.018 0.000 1.044 243 M CB 0.521 33.131 32.600 0.017 0.000 1.506 243 M HN 0.428 8.718 8.290 -0.000 0.000 0.475 244 I N 1.182 121.758 120.570 0.010 0.000 2.264 244 I HA -0.141 4.030 4.170 0.001 0.000 0.248 244 I C 1.568 177.698 176.117 0.022 0.000 1.111 244 I CA 1.676 62.985 61.300 0.015 0.000 1.382 244 I CB -0.079 37.935 38.000 0.024 0.000 1.060 244 I HN 0.708 8.918 8.210 -0.000 0.000 0.418 245 V N 0.410 120.348 119.914 0.040 0.000 2.515 245 V HA -0.227 3.893 4.120 0.001 0.000 0.250 245 V C 2.364 178.483 176.094 0.042 0.000 1.058 245 V CA 1.876 64.217 62.300 0.069 0.000 1.064 245 V CB -0.886 31.015 31.823 0.129 0.000 0.675 245 V HN 0.454 8.644 8.190 -0.000 0.000 0.461 246 E N 0.647 120.808 120.200 -0.064 0.000 2.047 246 E HA -0.177 4.174 4.350 0.001 0.000 0.191 246 E C 2.392 178.972 176.600 -0.033 0.000 0.987 246 E CA 1.316 57.642 56.400 -0.124 0.000 0.799 246 E CB -0.351 29.194 29.700 -0.258 0.000 0.752 246 E HN 0.590 8.950 8.360 -0.000 0.000 0.449 247 A N 1.561 124.362 122.820 -0.031 0.000 1.877 247 A HA -0.260 4.061 4.320 0.001 0.000 0.216 247 A C 1.948 179.541 177.584 0.014 0.000 1.186 247 A CA 1.611 53.638 52.037 -0.017 0.000 0.620 247 A CB -0.475 18.515 19.000 -0.016 0.000 0.822 247 A HN 0.176 8.325 8.150 -0.000 0.000 0.443 248 E N -1.786 118.434 120.200 0.034 0.000 2.077 248 E HA -0.219 4.132 4.350 0.001 0.000 0.193 248 E C 1.894 178.528 176.600 0.058 0.000 0.989 248 E CA 1.473 57.895 56.400 0.037 0.000 0.800 248 E CB -0.316 29.410 29.700 0.043 0.000 0.746 248 E HN 0.781 9.141 8.360 -0.000 0.000 0.452 249 Y N 1.475 121.755 120.300 -0.034 0.000 2.145 249 Y HA -0.199 4.352 4.550 0.001 0.000 0.286 249 Y C 1.977 177.847 175.900 -0.050 0.000 1.145 249 Y CA 1.371 59.451 58.100 -0.034 0.000 1.148 249 Y CB -0.177 38.266 38.460 -0.028 0.000 0.981 249 Y HN -0.053 8.227 8.280 -0.000 0.000 0.507 250 L N -1.301 120.036 121.223 0.190 0.000 2.079 250 L HA -0.240 4.101 4.340 0.001 0.000 0.210 250 L C 2.295 179.152 176.870 -0.021 0.000 1.081 250 L CA 1.213 56.096 54.840 0.072 0.000 0.752 250 L CB -0.801 41.257 42.059 -0.001 0.000 0.896 250 L HN 0.141 8.371 8.230 -0.000 0.000 0.433 251 V N -0.598 119.299 119.914 -0.029 0.000 2.270 251 V HA -0.194 3.927 4.120 0.001 0.000 0.245 251 V C 2.515 178.567 176.094 -0.070 0.000 1.043 251 V CA 1.562 63.832 62.300 -0.049 0.000 1.014 251 V CB -0.391 31.411 31.823 -0.035 0.000 0.645 251 V HN 0.395 8.585 8.190 -0.000 0.000 0.447 252 E N -0.127 120.019 120.200 -0.091 0.000 2.072 252 E HA -0.095 4.256 4.350 0.001 0.000 0.190 252 E C 2.122 178.614 176.600 -0.181 0.000 0.982 252 E CA 1.157 57.482 56.400 -0.124 0.000 0.803 252 E CB -0.107 29.515 29.700 -0.129 0.000 0.755 252 E HN 0.438 8.798 8.360 -0.000 0.000 0.453 253 I N -0.177 120.222 120.570 -0.285 0.000 2.927 253 I HA 0.056 4.226 4.170 0.001 0.000 0.268 253 I C 1.860 177.873 176.117 -0.173 0.000 1.153 253 I CA 0.549 61.649 61.300 -0.333 0.000 1.459 253 I CB -0.907 36.631 38.000 -0.769 0.000 1.149 253 I HN -0.121 8.089 8.210 -0.000 0.000 0.443 254 A N 0.130 122.885 122.820 -0.109 0.000 2.387 254 A HA 0.480 4.801 4.320 0.001 0.000 0.234 254 A C 1.687 179.242 177.584 -0.047 0.000 1.253 254 A CA 0.517 52.525 52.037 -0.049 0.000 0.894 254 A CB -0.550 18.443 19.000 -0.012 0.000 0.963 254 A HN 0.497 8.647 8.150 -0.000 0.000 0.508 255 G N -0.782 107.982 108.800 -0.060 0.000 2.225 255 G HA2 0.028 3.989 3.960 0.001 0.000 0.267 255 G HA3 0.028 3.989 3.960 0.001 0.000 0.267 255 G C 0.515 175.382 174.900 -0.055 0.000 1.024 255 G CA 0.546 45.616 45.100 -0.050 0.000 0.784 255 G HN 1.577 9.867 8.290 -0.000 0.000 0.507 256 A N 0.487 123.265 122.820 -0.070 0.000 2.406 256 A HA 0.662 4.983 4.320 0.001 0.000 0.243 256 A C -0.857 176.673 177.584 -0.090 0.000 1.082 256 A CA -0.453 51.522 52.037 -0.104 0.000 0.786 256 A CB 0.369 19.298 19.000 -0.119 0.000 1.029 256 A HN 0.350 8.500 8.150 -0.000 0.000 0.495 257 P HA 0.152 4.572 4.420 -0.000 0.000 0.271 257 P C 0.133 177.415 177.300 -0.030 0.000 1.216 257 P CA -0.204 62.866 63.100 -0.050 0.000 0.776 257 P CB 0.705 32.394 31.700 -0.019 0.000 0.881 258 R N 1.340 121.837 120.500 -0.006 0.000 2.170 258 R HA -0.201 4.140 4.340 0.001 0.000 0.242 258 R C 2.119 178.430 176.300 0.017 0.000 1.145 258 R CA 1.469 57.570 56.100 0.001 0.000 0.984 258 R CB -0.362 29.940 30.300 0.004 0.000 0.869 258 R HN 0.617 8.887 8.270 -0.000 0.000 0.455 259 E N 1.368 121.595 120.200 0.046 0.000 2.147 259 E HA -0.233 4.118 4.350 0.001 0.000 0.199 259 E C 1.862 178.506 176.600 0.074 0.000 1.005 259 E CA 1.614 58.063 56.400 0.081 0.000 0.810 259 E CB -0.172 29.631 29.700 0.171 0.000 0.736 259 E HN 0.561 8.921 8.360 -0.000 0.000 0.460 260 I N -1.641 118.954 120.570 0.042 0.000 2.916 260 I HA -0.151 4.019 4.170 0.001 0.000 0.267 260 I C 1.790 177.912 176.117 0.009 0.000 1.263 260 I CA 0.710 62.021 61.300 0.019 0.000 1.471 260 I CB -0.220 37.748 38.000 -0.052 0.000 1.089 260 I HN 0.050 8.260 8.210 -0.000 0.000 0.468 261 L N 1.035 122.263 121.223 0.008 0.000 2.353 261 L HA -0.034 4.306 4.340 0.001 0.000 0.220 261 L C 1.433 178.309 176.870 0.011 0.000 1.133 261 L CA 0.781 55.624 54.840 0.006 0.000 0.798 261 L CB -0.542 41.520 42.059 0.005 0.000 0.922 261 L HN 0.244 8.474 8.230 -0.000 0.000 0.445 262 R N 1.039 121.549 120.500 0.017 0.000 4.556 262 R HA 0.108 4.449 4.340 0.001 0.000 0.197 262 R C 0.128 176.436 176.300 0.014 0.000 1.791 262 R CA -0.361 55.748 56.100 0.016 0.000 1.526 262 R CB -0.579 29.733 30.300 0.019 0.000 1.410 262 R HN 0.129 8.399 8.270 -0.000 0.000 0.826 263 V N -1.129 118.791 119.914 0.010 0.000 3.367 263 V HA -0.063 4.058 4.120 0.001 0.000 0.304 263 V C 0.389 176.487 176.094 0.007 0.000 1.131 263 V CA -0.034 62.270 62.300 0.007 0.000 1.233 263 V CB 0.590 32.415 31.823 0.003 0.000 1.021 263 V HN 0.472 8.662 8.190 -0.000 0.000 0.497 264 N N 1.005 119.708 118.700 0.005 0.000 2.818 264 N HA 0.487 5.227 4.740 0.001 0.000 0.301 264 N C -0.339 175.171 175.510 0.000 0.000 1.821 264 N CA -0.244 52.808 53.050 0.003 0.000 0.930 264 N CB 1.087 39.575 38.487 0.002 0.000 1.263 264 N HN 0.905 9.285 8.380 -0.000 0.000 0.487 265 V N 0.000 119.915 119.914 0.002 0.000 2.409 265 V HA 0.000 4.121 4.120 0.001 0.000 0.244 265 V CA 0.000 62.301 62.300 0.002 0.000 1.235 265 V CB 0.000 31.828 31.823 0.008 0.000 1.184 265 V HN 0.000 8.190 8.190 -0.000 0.000 0.556