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 3ab2_1_M DATA FIRST_RESID 2 DATA SEQUENCE ALVVQKYGGS SLESAERIRN VAERIVATKK AGNDVVVVCS AMGDTTDELL DATA SEQUENCE ELAAAVNPVP PAREMDMLLT AGERISNALV AMAIESLGAE AQSFTGSQAG DATA SEQUENCE VLXXXXXXXX XXXXVTPGRV REALDEGKIC IVAGFXXXXX XXXXXXXXGR DATA SEQUENCE GGSDTTAVAL AAALNADVCE IYSDVDGVYT ADPRIVPNAQ KLEKLSFEEM DATA SEQUENCE LELAAVGSKI LVLRSVEYAR AFNVPLRVRS SYSNDPGTLI AGSMEDIPVE DATA SEQUENCE EAVLTGVATD KSEAKVTVLG ISDKPGEAAK VFRALADAEI NIDMVLQNVS DATA SEQUENCE SVEDGTTDIT FTCPRSDGRR AMEILKKLQV XXNWTNVLYD DQVGKVSLVG DATA SEQUENCE AGMKSHPGVT AEFMEALRDV NVNIELISTS EIRISVLIRE DDLDAAARAL DATA SEQUENCE HEQFQLG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.591 177.584 0.012 0.000 1.274 2 A CA 0.000 52.044 52.037 0.011 0.000 0.836 2 A CB 0.000 19.008 19.000 0.014 0.000 0.831 3 L N 3.294 124.523 121.223 0.010 0.000 2.280 3 L HA 0.772 5.112 4.340 0.001 0.000 0.287 3 L C -1.053 175.825 176.870 0.014 0.000 1.023 3 L CA -0.343 54.502 54.840 0.008 0.000 0.819 3 L CB 1.523 43.582 42.059 -0.001 0.000 1.212 3 L HN 0.531 nan 8.230 nan 0.000 0.420 4 V N 5.877 125.804 119.914 0.021 0.000 2.448 4 V HA 0.497 4.617 4.120 0.001 0.000 0.295 4 V C -0.275 175.839 176.094 0.033 0.000 1.025 4 V CA -0.759 61.559 62.300 0.031 0.000 0.859 4 V CB 1.949 33.800 31.823 0.047 0.000 0.988 4 V HN 0.468 nan 8.190 nan 0.000 0.431 5 V N 5.395 125.326 119.914 0.028 0.000 2.439 5 V HA 0.416 4.536 4.120 0.001 0.000 0.282 5 V C -0.150 175.968 176.094 0.040 0.000 1.039 5 V CA -0.425 61.891 62.300 0.026 0.000 0.913 5 V CB 1.519 33.346 31.823 0.006 0.000 0.983 5 V HN 0.931 nan 8.190 nan 0.000 0.460 6 Q N 4.373 124.206 119.800 0.055 0.000 2.327 6 Q HA 0.427 4.767 4.340 0.001 0.000 0.270 6 Q C -0.721 175.249 176.000 -0.051 0.000 1.022 6 Q CA -0.668 55.147 55.803 0.021 0.000 0.773 6 Q CB 2.561 31.351 28.738 0.085 0.000 1.251 6 Q HN 0.474 nan 8.270 nan 0.000 0.457 7 K N 3.071 123.400 120.400 -0.118 0.000 2.185 7 K HA 0.337 4.657 4.320 0.001 0.000 0.269 7 K C -1.658 174.836 176.600 -0.177 0.000 0.987 7 K CA -0.466 55.786 56.287 -0.058 0.000 0.865 7 K CB 0.778 33.273 32.500 -0.008 0.000 1.090 7 K HN 0.554 nan 8.250 nan 0.000 0.450 8 Y N 1.169 121.522 120.300 0.089 0.000 2.331 8 Y HA 0.334 4.885 4.550 0.001 0.000 0.334 8 Y C 0.963 176.903 175.900 0.067 0.000 0.960 8 Y CA -0.583 57.567 58.100 0.084 0.000 1.130 8 Y CB 1.955 40.415 38.460 0.001 0.000 1.164 8 Y HN 0.765 nan 8.280 nan 0.000 0.458 9 G N 0.878 109.803 108.800 0.208 0.000 2.553 9 G HA2 0.323 4.283 3.960 0.001 0.000 0.278 9 G HA3 0.323 4.283 3.960 0.001 0.000 0.278 9 G C 1.106 176.090 174.900 0.139 0.000 1.349 9 G CA -0.164 45.025 45.100 0.148 0.000 1.037 9 G HN 0.831 nan 8.290 nan 0.000 0.508 10 G N -0.598 108.268 108.800 0.110 0.000 2.408 10 G HA2 -0.137 3.823 3.960 0.001 0.000 0.217 10 G HA3 -0.137 3.823 3.960 0.001 0.000 0.217 10 G C 2.121 177.086 174.900 0.108 0.000 1.150 10 G CA 1.748 46.903 45.100 0.092 0.000 0.776 10 G HN 0.806 nan 8.290 nan 0.000 0.542 11 S N 0.820 116.600 115.700 0.135 0.000 2.382 11 S HA -0.097 4.374 4.470 0.001 0.000 0.228 11 S C 2.370 177.121 174.600 0.253 0.000 1.027 11 S CA 1.650 59.958 58.200 0.178 0.000 0.991 11 S CB -0.373 62.933 63.200 0.176 0.000 0.823 11 S HN 0.211 nan 8.310 nan 0.000 0.469 12 S N 1.441 117.276 115.700 0.225 0.000 2.461 12 S HA 0.288 4.758 4.470 0.001 0.000 0.228 12 S C 1.202 175.814 174.600 0.020 0.000 1.005 12 S CA 0.509 58.797 58.200 0.145 0.000 0.942 12 S CB -0.279 63.070 63.200 0.247 0.000 0.776 12 S HN 0.453 nan 8.310 nan 0.000 0.514 13 L N 1.099 122.349 121.223 0.046 0.000 2.872 13 L HA 0.298 4.639 4.340 0.001 0.000 0.245 13 L C 1.864 178.740 176.870 0.010 0.000 1.211 13 L CA 0.042 54.876 54.840 -0.010 0.000 1.013 13 L CB -0.087 41.969 42.059 -0.004 0.000 1.326 13 L HN 0.238 nan 8.230 nan 0.000 0.525 14 E N 1.236 121.463 120.200 0.045 0.000 2.153 14 E HA -0.125 4.225 4.350 0.001 0.000 0.194 14 E C 0.699 177.318 176.600 0.033 0.000 0.988 14 E CA 1.082 57.516 56.400 0.057 0.000 0.811 14 E CB 0.425 30.185 29.700 0.099 0.000 0.746 14 E HN 0.509 nan 8.360 nan 0.000 0.466 15 S N -2.606 113.104 115.700 0.017 0.000 2.661 15 S HA 0.611 5.081 4.470 0.001 0.000 0.285 15 S C 0.739 175.327 174.600 -0.019 0.000 1.138 15 S CA -0.347 57.857 58.200 0.005 0.000 0.855 15 S CB 1.432 64.643 63.200 0.018 0.000 1.136 15 S HN 0.062 nan 8.310 nan 0.000 0.484 16 A N 0.572 123.380 122.820 -0.019 0.000 1.948 16 A HA -0.113 4.207 4.320 0.001 0.000 0.220 16 A C 1.977 179.536 177.584 -0.041 0.000 1.177 16 A CA 1.941 53.960 52.037 -0.031 0.000 0.636 16 A CB -1.070 17.916 19.000 -0.023 0.000 0.815 16 A HN 0.919 nan 8.150 nan 0.000 0.449 17 E N -0.739 119.443 120.200 -0.031 0.000 2.107 17 E HA -0.148 4.202 4.350 0.001 0.000 0.191 17 E C 2.229 178.790 176.600 -0.065 0.000 0.982 17 E CA 0.503 56.881 56.400 -0.037 0.000 0.809 17 E CB -0.038 29.653 29.700 -0.014 0.000 0.756 17 E HN 0.448 nan 8.360 nan 0.000 0.459 18 R N 0.314 120.773 120.500 -0.068 0.000 2.092 18 R HA -0.073 4.267 4.340 0.001 0.000 0.231 18 R C 2.404 178.604 176.300 -0.166 0.000 1.119 18 R CA 0.707 56.728 56.100 -0.131 0.000 0.970 18 R CB -0.613 29.626 30.300 -0.102 0.000 0.864 18 R HN 0.303 nan 8.270 nan 0.000 0.440 19 I N 0.625 121.117 120.570 -0.130 0.000 2.286 19 I HA -0.244 3.926 4.170 0.001 0.000 0.248 19 I C 2.552 178.571 176.117 -0.164 0.000 1.115 19 I CA 1.325 62.532 61.300 -0.155 0.000 1.392 19 I CB -0.195 37.740 38.000 -0.109 0.000 1.065 19 I HN 0.102 nan 8.210 nan 0.000 0.418 20 R N 0.219 120.645 120.500 -0.123 0.000 2.115 20 R HA -0.127 4.214 4.340 0.001 0.000 0.226 20 R C 2.054 178.279 176.300 -0.125 0.000 1.100 20 R CA 1.465 57.499 56.100 -0.109 0.000 0.980 20 R CB -0.455 29.800 30.300 -0.076 0.000 0.875 20 R HN 0.387 nan 8.270 nan 0.000 0.445 21 N N 0.272 118.890 118.700 -0.137 0.000 2.058 21 N HA -0.154 4.587 4.740 0.001 0.000 0.191 21 N C 1.662 177.056 175.510 -0.193 0.000 1.037 21 N CA 1.258 54.221 53.050 -0.145 0.000 0.848 21 N CB 0.080 38.473 38.487 -0.156 0.000 1.021 21 N HN -0.089 nan 8.380 nan 0.000 0.422 22 V N 0.914 120.661 119.914 -0.278 0.000 2.332 22 V HA -0.241 3.879 4.120 0.001 0.000 0.248 22 V C 2.381 178.259 176.094 -0.359 0.000 1.055 22 V CA 1.875 63.919 62.300 -0.426 0.000 1.038 22 V CB -1.180 30.236 31.823 -0.679 0.000 0.651 22 V HN 0.497 nan 8.190 nan 0.000 0.450 23 A N 0.938 123.597 122.820 -0.268 0.000 1.892 23 A HA -0.312 4.008 4.320 0.001 0.000 0.218 23 A C 2.195 179.698 177.584 -0.135 0.000 1.188 23 A CA 2.404 54.328 52.037 -0.188 0.000 0.631 23 A CB -0.567 18.350 19.000 -0.139 0.000 0.822 23 A HN 0.737 nan 8.150 nan 0.000 0.447 24 E N 0.127 120.257 120.200 -0.117 0.000 2.208 24 E HA -0.174 4.176 4.350 0.001 0.000 0.193 24 E C 1.994 178.552 176.600 -0.071 0.000 0.988 24 E CA 1.384 57.737 56.400 -0.078 0.000 0.828 24 E CB -0.380 29.283 29.700 -0.062 0.000 0.763 24 E HN 0.620 nan 8.360 nan 0.000 0.478 25 R N 0.422 120.862 120.500 -0.100 0.000 2.092 25 R HA -0.065 4.275 4.340 0.001 0.000 0.231 25 R C 1.967 178.236 176.300 -0.052 0.000 1.119 25 R CA 1.508 57.563 56.100 -0.075 0.000 0.970 25 R CB -0.172 30.058 30.300 -0.116 0.000 0.864 25 R HN 0.256 nan 8.270 nan 0.000 0.440 26 I N 0.632 121.150 120.570 -0.086 0.000 2.163 26 I HA -0.209 3.961 4.170 0.001 0.000 0.240 26 I C 2.385 178.491 176.117 -0.019 0.000 1.081 26 I CA 1.079 62.355 61.300 -0.039 0.000 1.353 26 I CB -0.813 37.142 38.000 -0.075 0.000 1.054 26 I HN 0.082 nan 8.210 nan 0.000 0.407 27 V N 1.487 121.380 119.914 -0.035 0.000 2.407 27 V HA -0.246 3.874 4.120 0.001 0.000 0.248 27 V C 2.852 178.941 176.094 -0.009 0.000 1.055 27 V CA 1.709 63.996 62.300 -0.021 0.000 1.049 27 V CB -1.126 30.680 31.823 -0.029 0.000 0.662 27 V HN 0.451 nan 8.190 nan 0.000 0.455 28 A N -0.061 122.753 122.820 -0.011 0.000 1.883 28 A HA -0.261 4.060 4.320 0.001 0.000 0.217 28 A C 2.414 180.006 177.584 0.013 0.000 1.186 28 A CA 2.640 54.678 52.037 0.001 0.000 0.624 28 A CB -1.114 17.887 19.000 0.002 0.000 0.822 28 A HN 0.495 nan 8.150 nan 0.000 0.444 29 T N -0.107 114.459 114.554 0.021 0.000 2.665 29 T HA -0.207 4.144 4.350 0.001 0.000 0.268 29 T C 2.046 176.762 174.700 0.026 0.000 1.035 29 T CA 2.032 64.153 62.100 0.035 0.000 1.151 29 T CB -0.234 68.666 68.868 0.053 0.000 0.862 29 T HN 0.573 nan 8.240 nan 0.000 0.438 30 K N 1.505 121.916 120.400 0.019 0.000 2.026 30 K HA -0.036 4.284 4.320 0.001 0.000 0.208 30 K C 2.115 178.722 176.600 0.012 0.000 1.048 30 K CA 1.581 57.877 56.287 0.015 0.000 0.929 30 K CB -0.272 32.235 32.500 0.011 0.000 0.713 30 K HN 0.217 nan 8.250 nan 0.000 0.439 31 K N -0.160 120.246 120.400 0.009 0.000 2.152 31 K HA -0.071 4.250 4.320 0.001 0.000 0.206 31 K C 1.959 178.565 176.600 0.010 0.000 1.048 31 K CA 1.170 57.461 56.287 0.007 0.000 0.933 31 K CB -0.239 32.263 32.500 0.004 0.000 0.721 31 K HN 0.286 nan 8.250 nan 0.000 0.447 32 A N 0.555 123.383 122.820 0.014 0.000 2.178 32 A HA 0.021 4.342 4.320 0.001 0.000 0.218 32 A C 1.242 178.834 177.584 0.014 0.000 1.157 32 A CA 1.272 53.318 52.037 0.015 0.000 0.689 32 A CB -0.312 18.701 19.000 0.021 0.000 0.787 32 A HN 0.447 nan 8.150 nan 0.000 0.465 33 G N -1.101 107.707 108.800 0.014 0.000 2.245 33 G HA2 -0.133 3.827 3.960 0.001 0.000 0.130 33 G HA3 -0.133 3.827 3.960 0.001 0.000 0.130 33 G C -0.486 174.422 174.900 0.014 0.000 1.040 33 G CA -0.069 45.039 45.100 0.012 0.000 0.713 33 G HN 0.595 nan 8.290 nan 0.000 0.488 34 N N -0.159 118.551 118.700 0.016 0.000 2.453 34 N HA 0.626 5.366 4.740 0.001 0.000 0.290 34 N C -1.596 173.924 175.510 0.017 0.000 1.250 34 N CA -1.008 52.053 53.050 0.018 0.000 0.815 34 N CB 1.366 39.868 38.487 0.025 0.000 1.381 34 N HN -0.005 nan 8.380 nan 0.000 0.510 35 D N 0.786 121.195 120.400 0.016 0.000 2.349 35 D HA 0.281 4.921 4.640 0.001 0.000 0.232 35 D C -0.893 175.418 176.300 0.018 0.000 1.071 35 D CA -0.202 53.806 54.000 0.014 0.000 0.832 35 D CB 1.400 42.203 40.800 0.006 0.000 1.086 35 D HN 0.045 nan 8.370 nan 0.000 0.504 36 V N 2.634 122.562 119.914 0.023 0.000 2.394 36 V HA 0.388 4.509 4.120 0.001 0.000 0.282 36 V C 0.245 176.356 176.094 0.029 0.000 1.031 36 V CA -0.750 61.571 62.300 0.034 0.000 0.881 36 V CB 1.830 33.678 31.823 0.043 0.000 0.982 36 V HN 0.224 nan 8.190 nan 0.000 0.451 37 V N 5.586 125.516 119.914 0.027 0.000 2.409 37 V HA 0.445 4.566 4.120 0.001 0.000 0.291 37 V C -0.226 175.897 176.094 0.047 0.000 1.020 37 V CA -0.587 61.722 62.300 0.015 0.000 0.848 37 V CB 1.938 33.743 31.823 -0.030 0.000 0.990 37 V HN 0.620 nan 8.190 nan 0.000 0.430 38 V N 5.748 125.703 119.914 0.068 0.000 2.370 38 V HA 0.437 4.557 4.120 0.001 0.000 0.283 38 V C -0.071 176.079 176.094 0.093 0.000 1.023 38 V CA -0.601 61.769 62.300 0.117 0.000 0.857 38 V CB 1.767 33.663 31.823 0.121 0.000 0.985 38 V HN 0.602 nan 8.190 nan 0.000 0.443 39 V N 4.242 124.216 119.914 0.099 0.000 2.370 39 V HA 0.350 4.470 4.120 0.001 0.000 0.279 39 V C 0.065 176.219 176.094 0.099 0.000 1.029 39 V CA -0.336 62.002 62.300 0.064 0.000 0.870 39 V CB 1.400 33.242 31.823 0.032 0.000 0.984 39 V HN 0.980 nan 8.190 nan 0.000 0.451 40 C N 3.761 123.095 119.300 0.057 0.000 2.376 40 C HA 0.711 5.171 4.460 0.001 0.000 0.335 40 C C 0.822 175.828 174.990 0.026 0.000 1.229 40 C CA -0.291 58.763 59.018 0.060 0.000 1.867 40 C CB 1.466 29.218 27.740 0.021 0.000 2.319 40 C HN 0.925 nan 8.230 nan 0.000 0.515 41 S N 1.077 116.809 115.700 0.054 0.000 2.681 41 S HA 0.740 5.210 4.470 0.001 0.000 0.299 41 S C 0.069 174.687 174.600 0.031 0.000 1.113 41 S CA -0.510 57.716 58.200 0.043 0.000 1.013 41 S CB 1.341 64.585 63.200 0.074 0.000 1.076 41 S HN 1.018 nan 8.310 nan 0.000 0.534 42 A N 1.682 124.520 122.820 0.030 0.000 2.483 42 A HA 0.333 4.654 4.320 0.001 0.000 0.238 42 A C 0.313 177.918 177.584 0.035 0.000 1.070 42 A CA -0.031 52.022 52.037 0.026 0.000 0.770 42 A CB -0.381 18.639 19.000 0.034 0.000 1.008 42 A HN 0.798 nan 8.150 nan 0.000 0.497 43 M N 2.087 121.702 119.600 0.025 0.000 2.249 43 M HA 0.303 4.783 4.480 0.001 0.000 0.340 43 M C 1.560 177.883 176.300 0.038 0.000 1.166 43 M CA 1.434 56.751 55.300 0.029 0.000 1.115 43 M CB -0.157 32.452 32.600 0.016 0.000 1.606 43 M HN 1.290 nan 8.290 nan 0.000 0.448 44 G N 2.776 111.606 108.800 0.049 0.000 2.685 44 G HA2 -0.285 3.675 3.960 0.001 0.000 0.329 44 G HA3 -0.285 3.675 3.960 0.001 0.000 0.329 44 G C 0.016 174.945 174.900 0.049 0.000 1.271 44 G CA 0.532 45.663 45.100 0.052 0.000 1.003 44 G HN 0.813 nan 8.290 nan 0.000 0.549 45 D N 0.937 121.362 120.400 0.041 0.000 2.738 45 D HA 0.311 4.951 4.640 0.001 0.000 0.246 45 D C 1.765 178.087 176.300 0.037 0.000 1.270 45 D CA 0.700 54.724 54.000 0.040 0.000 0.833 45 D CB 0.064 40.885 40.800 0.035 0.000 1.040 45 D HN 0.342 nan 8.370 nan 0.000 0.487 46 T N -0.175 114.402 114.554 0.037 0.000 2.777 46 T HA -0.117 4.233 4.350 0.001 0.000 0.266 46 T C 2.100 176.824 174.700 0.040 0.000 1.040 46 T CA 1.274 63.394 62.100 0.034 0.000 1.141 46 T CB -0.008 68.878 68.868 0.030 0.000 0.868 46 T HN 0.189 nan 8.240 nan 0.000 0.444 47 T N 2.074 116.657 114.554 0.048 0.000 2.746 47 T HA -0.128 4.223 4.350 0.001 0.000 0.267 47 T C 1.708 176.438 174.700 0.051 0.000 1.039 47 T CA 1.327 63.462 62.100 0.059 0.000 1.142 47 T CB -0.474 68.439 68.868 0.075 0.000 0.866 47 T HN 0.308 nan 8.240 nan 0.000 0.444 48 D N 1.064 121.491 120.400 0.045 0.000 2.097 48 D HA -0.067 4.573 4.640 0.001 0.000 0.195 48 D C 2.272 178.591 176.300 0.033 0.000 0.989 48 D CA 1.044 55.067 54.000 0.038 0.000 0.827 48 D CB -0.288 40.533 40.800 0.036 0.000 0.966 48 D HN 0.512 nan 8.370 nan 0.000 0.456 49 E N -0.214 120.005 120.200 0.031 0.000 2.118 49 E HA -0.160 4.191 4.350 0.001 0.000 0.195 49 E C 1.988 178.604 176.600 0.027 0.000 0.992 49 E CA 0.402 56.818 56.400 0.027 0.000 0.804 49 E CB 0.012 29.727 29.700 0.025 0.000 0.741 49 E HN 0.112 nan 8.360 nan 0.000 0.458 50 L N 0.389 121.631 121.223 0.031 0.000 2.093 50 L HA -0.158 4.183 4.340 0.001 0.000 0.208 50 L C 2.143 179.031 176.870 0.031 0.000 1.085 50 L CA 1.442 56.302 54.840 0.032 0.000 0.755 50 L CB -0.511 41.572 42.059 0.040 0.000 0.904 50 L HN 0.174 nan 8.230 nan 0.000 0.435 51 L N -1.197 120.045 121.223 0.032 0.000 2.141 51 L HA -0.152 4.188 4.340 0.001 0.000 0.209 51 L C 2.534 179.418 176.870 0.023 0.000 1.094 51 L CA 0.712 55.569 54.840 0.028 0.000 0.763 51 L CB -0.474 41.602 42.059 0.029 0.000 0.908 51 L HN 0.282 nan 8.230 nan 0.000 0.437 52 E N 0.405 120.619 120.200 0.023 0.000 2.031 52 E HA -0.208 4.143 4.350 0.001 0.000 0.193 52 E C 2.353 178.964 176.600 0.018 0.000 0.994 52 E CA 1.236 57.648 56.400 0.020 0.000 0.800 52 E CB -0.341 29.371 29.700 0.019 0.000 0.752 52 E HN 0.471 nan 8.360 nan 0.000 0.447 53 L N 0.664 121.898 121.223 0.019 0.000 2.042 53 L HA -0.201 4.139 4.340 0.001 0.000 0.210 53 L C 2.613 179.493 176.870 0.017 0.000 1.076 53 L CA 1.200 56.050 54.840 0.017 0.000 0.749 53 L CB -0.575 41.495 42.059 0.018 0.000 0.893 53 L HN 0.075 nan 8.230 nan 0.000 0.432 54 A N 0.142 122.973 122.820 0.019 0.000 1.851 54 A HA -0.258 4.063 4.320 0.001 0.000 0.216 54 A C 2.500 180.093 177.584 0.015 0.000 1.195 54 A CA 2.090 54.138 52.037 0.018 0.000 0.622 54 A CB -0.967 18.045 19.000 0.020 0.000 0.831 54 A HN 0.414 nan 8.150 nan 0.000 0.444 55 A N -0.676 122.152 122.820 0.015 0.000 2.019 55 A HA 0.198 4.518 4.320 0.001 0.000 0.219 55 A C 2.379 179.970 177.584 0.012 0.000 1.164 55 A CA 2.007 54.052 52.037 0.013 0.000 0.644 55 A CB -0.766 18.242 19.000 0.014 0.000 0.805 55 A HN 1.073 nan 8.150 nan 0.000 0.449 56 A N -0.259 122.568 122.820 0.013 0.000 1.970 56 A HA 0.127 4.447 4.320 0.001 0.000 0.216 56 A C 2.196 179.786 177.584 0.010 0.000 1.170 56 A CA 1.598 53.642 52.037 0.011 0.000 0.645 56 A CB -0.821 18.186 19.000 0.012 0.000 0.816 56 A HN 1.056 nan 8.150 nan 0.000 0.447 57 V N -2.913 117.008 119.914 0.011 0.000 2.788 57 V HA 0.160 4.281 4.120 0.001 0.000 0.251 57 V C 0.440 176.540 176.094 0.009 0.000 1.068 57 V CA 1.243 63.550 62.300 0.010 0.000 1.090 57 V CB -0.575 31.254 31.823 0.011 0.000 0.710 57 V HN 0.468 nan 8.190 nan 0.000 0.467 58 N N 0.661 119.367 118.700 0.010 0.000 2.542 58 N HA 0.454 5.194 4.740 0.001 0.000 0.288 58 N C -3.407 172.109 175.510 0.009 0.000 1.115 58 N CA -1.521 51.534 53.050 0.009 0.000 0.924 58 N CB 2.474 40.967 38.487 0.009 0.000 1.526 58 N HN 0.063 nan 8.380 nan 0.000 0.515 59 P HA 0.060 nan 4.420 nan 0.000 0.272 59 P C -0.057 177.247 177.300 0.007 0.000 1.223 59 P CA -0.196 62.909 63.100 0.008 0.000 0.784 59 P CB 0.702 32.407 31.700 0.007 0.000 0.923 60 V N 1.830 121.748 119.914 0.007 0.000 5.919 60 V HA -0.155 3.965 4.120 0.001 0.000 0.195 60 V C -2.405 173.692 176.094 0.005 0.000 0.690 60 V CA -0.334 61.969 62.300 0.005 0.000 0.572 60 V CB -1.758 30.067 31.823 0.004 0.000 0.449 60 V HN 0.534 nan 8.190 nan 0.000 0.430 61 P HA 0.378 nan 4.420 nan 0.000 0.271 61 P C -2.241 175.062 177.300 0.005 0.000 1.216 61 P CA -0.946 62.158 63.100 0.007 0.000 0.771 61 P CB 0.199 31.904 31.700 0.009 0.000 0.864 62 P HA 0.027 nan 4.420 nan 0.000 0.268 62 P C 0.636 177.938 177.300 0.004 0.000 1.208 62 P CA 0.044 63.147 63.100 0.005 0.000 0.777 62 P CB 0.458 32.163 31.700 0.007 0.000 0.875 63 A N 3.005 125.825 122.820 0.000 0.000 1.873 63 A HA -0.174 4.146 4.320 0.001 0.000 0.215 63 A C 2.229 179.815 177.584 0.004 0.000 1.186 63 A CA 1.461 53.495 52.037 -0.005 0.000 0.616 63 A CB -0.835 18.159 19.000 -0.011 0.000 0.823 63 A HN 0.561 nan 8.150 nan 0.000 0.442 64 R N -0.337 120.169 120.500 0.010 0.000 2.083 64 R HA -0.201 4.139 4.340 0.001 0.000 0.237 64 R C 1.881 178.197 176.300 0.025 0.000 1.137 64 R CA 2.021 58.132 56.100 0.018 0.000 0.951 64 R CB -0.205 30.105 30.300 0.016 0.000 0.851 64 R HN 0.502 nan 8.270 nan 0.000 0.434 65 E N -0.134 120.079 120.200 0.021 0.000 2.152 65 E HA -0.146 4.205 4.350 0.001 0.000 0.192 65 E C 1.629 178.248 176.600 0.032 0.000 0.983 65 E CA 1.042 57.457 56.400 0.025 0.000 0.818 65 E CB -0.113 29.598 29.700 0.019 0.000 0.758 65 E HN 0.201 nan 8.360 nan 0.000 0.467 66 M N 1.023 120.639 119.600 0.027 0.000 2.117 66 M HA -0.165 4.315 4.480 0.001 0.000 0.262 66 M C 1.698 178.032 176.300 0.057 0.000 1.065 66 M CA 1.634 56.953 55.300 0.031 0.000 1.114 66 M CB -0.335 32.272 32.600 0.011 0.000 1.361 66 M HN 0.037 nan 8.290 nan 0.000 0.408 67 D N -0.361 120.072 120.400 0.056 0.000 2.092 67 D HA -0.241 4.399 4.640 0.001 0.000 0.193 67 D C 2.063 178.442 176.300 0.131 0.000 0.994 67 D CA 1.852 55.919 54.000 0.112 0.000 0.828 67 D CB -0.268 40.584 40.800 0.088 0.000 0.963 67 D HN 0.470 nan 8.370 nan 0.000 0.450 68 M N -0.221 119.427 119.600 0.081 0.000 2.089 68 M HA -0.243 4.237 4.480 0.001 0.000 0.257 68 M C 2.373 178.711 176.300 0.063 0.000 1.071 68 M CA 1.313 56.651 55.300 0.062 0.000 1.096 68 M CB -0.164 32.461 32.600 0.041 0.000 1.330 68 M HN 0.125 nan 8.290 nan 0.000 0.403 69 L N 0.361 121.622 121.223 0.063 0.000 2.005 69 L HA -0.160 4.181 4.340 0.001 0.000 0.207 69 L C 1.987 178.900 176.870 0.072 0.000 1.072 69 L CA 1.818 56.691 54.840 0.056 0.000 0.744 69 L CB -0.569 41.519 42.059 0.048 0.000 0.895 69 L HN 0.295 nan 8.230 nan 0.000 0.433 70 L N -1.432 119.859 121.223 0.114 0.000 2.156 70 L HA -0.124 4.216 4.340 0.001 0.000 0.208 70 L C 2.282 179.227 176.870 0.126 0.000 1.095 70 L CA 1.225 56.157 54.840 0.154 0.000 0.770 70 L CB -1.002 41.209 42.059 0.253 0.000 0.914 70 L HN 0.262 nan 8.230 nan 0.000 0.439 71 T N 0.206 114.835 114.554 0.124 0.000 2.746 71 T HA -0.163 4.187 4.350 0.001 0.000 0.267 71 T C 2.077 176.765 174.700 -0.020 0.000 1.039 71 T CA 1.393 63.494 62.100 0.000 0.000 1.142 71 T CB -0.180 68.710 68.868 0.038 0.000 0.866 71 T HN 0.442 nan 8.240 nan 0.000 0.444 72 A N 1.388 124.216 122.820 0.012 0.000 1.902 72 A HA 0.121 4.442 4.320 0.001 0.000 0.217 72 A C 2.628 180.212 177.584 -0.001 0.000 1.181 72 A CA 1.846 53.885 52.037 0.003 0.000 0.623 72 A CB -1.371 17.636 19.000 0.013 0.000 0.818 72 A HN 0.508 nan 8.150 nan 0.000 0.443 73 G N -0.437 108.370 108.800 0.012 0.000 2.446 73 G HA2 -0.230 3.730 3.960 0.001 0.000 0.217 73 G HA3 -0.230 3.730 3.960 0.001 0.000 0.217 73 G C 1.443 176.340 174.900 -0.005 0.000 1.168 73 G CA 1.017 46.124 45.100 0.013 0.000 0.771 73 G HN 0.658 nan 8.290 nan 0.000 0.551 74 E N -0.079 120.105 120.200 -0.028 0.000 2.152 74 E HA 0.003 4.353 4.350 0.001 0.000 0.192 74 E C 2.676 179.240 176.600 -0.060 0.000 0.983 74 E CA 0.109 56.474 56.400 -0.059 0.000 0.818 74 E CB -0.031 29.584 29.700 -0.141 0.000 0.758 74 E HN 0.316 nan 8.360 nan 0.000 0.467 75 R N 0.391 120.857 120.500 -0.058 0.000 2.189 75 R HA -0.010 4.330 4.340 0.001 0.000 0.218 75 R C 2.208 178.487 176.300 -0.034 0.000 1.074 75 R CA 0.469 56.540 56.100 -0.048 0.000 0.991 75 R CB -0.080 30.194 30.300 -0.045 0.000 0.883 75 R HN 0.198 nan 8.270 nan 0.000 0.457 76 I N 0.060 120.615 120.570 -0.025 0.000 2.179 76 I HA -0.300 3.870 4.170 0.001 0.000 0.242 76 I C 2.102 178.205 176.117 -0.025 0.000 1.088 76 I CA 1.319 62.607 61.300 -0.021 0.000 1.357 76 I CB -0.194 37.799 38.000 -0.012 0.000 1.051 76 I HN 0.077 nan 8.210 nan 0.000 0.409 77 S N 0.644 116.329 115.700 -0.024 0.000 2.356 77 S HA -0.210 4.261 4.470 0.001 0.000 0.223 77 S C 1.851 176.429 174.600 -0.036 0.000 1.032 77 S CA 1.547 59.731 58.200 -0.027 0.000 1.005 77 S CB -0.515 62.675 63.200 -0.016 0.000 0.867 77 S HN 0.455 nan 8.310 nan 0.000 0.449 78 N N 2.144 120.824 118.700 -0.034 0.000 2.021 78 N HA -0.182 4.558 4.740 0.001 0.000 0.198 78 N C 1.761 177.249 175.510 -0.037 0.000 1.041 78 N CA 2.124 55.155 53.050 -0.032 0.000 0.862 78 N CB -0.731 37.737 38.487 -0.033 0.000 1.048 78 N HN 0.348 nan 8.380 nan 0.000 0.427 79 A N 0.720 123.517 122.820 -0.037 0.000 1.883 79 A HA -0.113 4.207 4.320 0.001 0.000 0.217 79 A C 2.282 179.841 177.584 -0.041 0.000 1.186 79 A CA 1.307 53.321 52.037 -0.038 0.000 0.624 79 A CB -0.768 18.211 19.000 -0.035 0.000 0.822 79 A HN 0.326 nan 8.150 nan 0.000 0.444 80 L N -0.429 120.769 121.223 -0.042 0.000 2.083 80 L HA -0.111 4.229 4.340 0.001 0.000 0.209 80 L C 2.608 179.441 176.870 -0.061 0.000 1.083 80 L CA 1.307 56.119 54.840 -0.047 0.000 0.752 80 L CB -1.101 40.932 42.059 -0.044 0.000 0.899 80 L HN 0.217 nan 8.230 nan 0.000 0.433 81 V N -0.395 119.477 119.914 -0.070 0.000 2.427 81 V HA -0.236 3.884 4.120 0.001 0.000 0.248 81 V C 2.688 178.738 176.094 -0.074 0.000 1.051 81 V CA 1.400 63.645 62.300 -0.093 0.000 1.048 81 V CB -1.009 30.750 31.823 -0.107 0.000 0.666 81 V HN 0.469 nan 8.190 nan 0.000 0.456 82 A N -0.515 122.272 122.820 -0.054 0.000 1.877 82 A HA -0.233 4.087 4.320 0.001 0.000 0.216 82 A C 2.253 179.810 177.584 -0.044 0.000 1.186 82 A CA 2.140 54.151 52.037 -0.044 0.000 0.620 82 A CB -0.483 18.495 19.000 -0.038 0.000 0.822 82 A HN 0.469 nan 8.150 nan 0.000 0.443 83 M N -0.474 119.099 119.600 -0.045 0.000 2.082 83 M HA -0.230 4.251 4.480 0.001 0.000 0.258 83 M C 2.559 178.832 176.300 -0.046 0.000 1.069 83 M CA 1.674 56.949 55.300 -0.042 0.000 1.102 83 M CB -0.493 32.083 32.600 -0.039 0.000 1.336 83 M HN 0.510 nan 8.290 nan 0.000 0.404 84 A N 0.673 123.459 122.820 -0.057 0.000 1.858 84 A HA -0.165 4.155 4.320 0.001 0.000 0.216 84 A C 2.008 179.555 177.584 -0.061 0.000 1.190 84 A CA 1.461 53.459 52.037 -0.065 0.000 0.617 84 A CB -0.796 18.151 19.000 -0.087 0.000 0.827 84 A HN 0.381 nan 8.150 nan 0.000 0.443 85 I N 0.459 120.991 120.570 -0.064 0.000 2.151 85 I HA -0.241 3.929 4.170 0.001 0.000 0.243 85 I C 2.343 178.436 176.117 -0.040 0.000 1.080 85 I CA 1.701 62.969 61.300 -0.055 0.000 1.339 85 I CB -1.577 36.394 38.000 -0.048 0.000 1.039 85 I HN 0.482 nan 8.210 nan 0.000 0.409 86 E N 0.464 120.642 120.200 -0.036 0.000 2.204 86 E HA -0.143 4.207 4.350 0.001 0.000 0.194 86 E C 2.173 178.757 176.600 -0.027 0.000 0.989 86 E CA 1.398 57.781 56.400 -0.028 0.000 0.824 86 E CB -0.047 29.637 29.700 -0.027 0.000 0.756 86 E HN 0.565 nan 8.360 nan 0.000 0.477 87 S N 0.616 116.297 115.700 -0.031 0.000 2.447 87 S HA -0.059 4.411 4.470 0.001 0.000 0.233 87 S C 1.650 176.233 174.600 -0.028 0.000 1.006 87 S CA 0.513 58.696 58.200 -0.029 0.000 0.957 87 S CB 0.032 63.213 63.200 -0.032 0.000 0.773 87 S HN 0.088 nan 8.310 nan 0.000 0.507 88 L N 1.397 122.601 121.223 -0.031 0.000 2.611 88 L HA 0.392 4.732 4.340 0.001 0.000 0.229 88 L C 1.752 178.608 176.870 -0.022 0.000 1.137 88 L CA 0.906 55.729 54.840 -0.028 0.000 0.901 88 L CB -1.238 40.800 42.059 -0.035 0.000 1.098 88 L HN 0.633 nan 8.230 nan 0.000 0.456 89 G N -0.432 108.356 108.800 -0.020 0.000 2.141 89 G HA2 -0.179 3.781 3.960 0.001 0.000 0.231 89 G HA3 -0.179 3.781 3.960 0.001 0.000 0.231 89 G C 0.492 175.384 174.900 -0.013 0.000 0.984 89 G CA 0.188 45.278 45.100 -0.015 0.000 0.660 89 G HN 0.620 nan 8.290 nan 0.000 0.525 90 A N -0.406 122.405 122.820 -0.015 0.000 2.264 90 A HA 0.773 5.093 4.320 0.001 0.000 0.304 90 A C 0.242 177.820 177.584 -0.010 0.000 1.100 90 A CA -0.187 51.844 52.037 -0.011 0.000 0.839 90 A CB 0.871 19.863 19.000 -0.012 0.000 1.121 90 A HN 0.348 nan 8.150 nan 0.000 0.496 91 E N 0.504 120.701 120.200 -0.004 0.000 2.114 91 E HA 0.514 4.865 4.350 0.001 0.000 0.266 91 E C -0.551 176.050 176.600 0.002 0.000 0.896 91 E CA -0.443 55.955 56.400 -0.004 0.000 0.750 91 E CB 1.355 31.053 29.700 -0.002 0.000 1.121 91 E HN 0.765 nan 8.360 nan 0.000 0.413 92 A N 4.217 127.034 122.820 -0.005 0.000 2.293 92 A HA 0.406 4.726 4.320 0.001 0.000 0.302 92 A C -0.419 177.161 177.584 -0.007 0.000 1.119 92 A CA -0.448 51.591 52.037 0.003 0.000 0.823 92 A CB 1.127 20.122 19.000 -0.009 0.000 1.097 92 A HN 0.660 nan 8.150 nan 0.000 0.491 93 Q N 0.913 120.723 119.800 0.016 0.000 2.285 93 Q HA 0.534 4.875 4.340 0.001 0.000 0.269 93 Q C -1.271 174.670 176.000 -0.098 0.000 1.030 93 Q CA -0.329 55.435 55.803 -0.066 0.000 0.788 93 Q CB 1.743 30.462 28.738 -0.033 0.000 1.266 93 Q HN 0.726 nan 8.270 nan 0.000 0.438 94 S N 2.815 118.351 115.700 -0.273 0.000 2.608 94 S HA 0.726 5.196 4.470 0.001 0.000 0.291 94 S C -1.131 173.179 174.600 -0.483 0.000 1.146 94 S CA -0.345 57.743 58.200 -0.187 0.000 1.043 94 S CB 0.614 63.747 63.200 -0.112 0.000 1.037 94 S HN 0.466 nan 8.310 nan 0.000 0.520 95 F N 0.432 120.362 119.950 -0.033 0.000 2.591 95 F HA 0.401 4.928 4.527 0.000 0.000 0.309 95 F C 0.877 176.648 175.800 -0.049 0.000 1.098 95 F CA -0.929 57.052 58.000 -0.033 0.000 0.937 95 F CB 1.726 40.710 39.000 -0.027 0.000 1.250 95 F HN 0.609 nan 8.300 nan 0.000 0.447 96 T N -1.364 113.263 114.554 0.122 0.000 2.732 96 T HA 0.366 4.716 4.350 0.001 0.000 0.287 96 T C 1.317 176.054 174.700 0.061 0.000 0.993 96 T CA -0.016 62.111 62.100 0.044 0.000 0.966 96 T CB 1.111 69.995 68.868 0.026 0.000 1.047 96 T HN 0.727 nan 8.240 nan 0.000 0.527 97 G N -0.081 108.725 108.800 0.009 0.000 2.418 97 G HA2 -0.183 3.777 3.960 0.001 0.000 0.217 97 G HA3 -0.183 3.777 3.960 0.001 0.000 0.217 97 G C 1.815 176.762 174.900 0.078 0.000 1.158 97 G CA 1.035 46.166 45.100 0.052 0.000 0.771 97 G HN 0.800 nan 8.290 nan 0.000 0.545 98 S N 0.901 116.656 115.700 0.092 0.000 2.398 98 S HA -0.148 4.323 4.470 0.001 0.000 0.220 98 S C 1.574 176.222 174.600 0.079 0.000 1.038 98 S CA 1.589 59.837 58.200 0.080 0.000 1.080 98 S CB -0.605 62.641 63.200 0.077 0.000 1.039 98 S HN 0.610 nan 8.310 nan 0.000 0.419 99 Q N 0.574 120.435 119.800 0.102 0.000 2.286 99 Q HA 0.479 4.819 4.340 0.001 0.000 0.265 99 Q C 0.130 176.265 176.000 0.225 0.000 1.080 99 Q CA 0.374 56.269 55.803 0.152 0.000 0.906 99 Q CB 0.734 29.561 28.738 0.148 0.000 1.227 99 Q HN 0.720 nan 8.270 nan 0.000 0.409 100 A N 2.387 125.280 122.820 0.122 0.000 3.742 100 A HA 0.095 4.415 4.320 0.001 0.000 0.186 100 A C 1.096 178.635 177.584 -0.074 0.000 1.219 100 A CA 0.395 52.394 52.037 -0.064 0.000 2.068 100 A CB -1.505 17.445 19.000 -0.083 0.000 0.461 100 A HN 1.714 nan 8.150 nan 0.000 0.589 101 G N -1.465 107.326 108.800 -0.014 0.000 2.313 101 G HA2 0.247 4.208 3.960 0.001 0.000 0.215 101 G HA3 0.247 4.208 3.960 0.001 0.000 0.215 101 G C 1.496 176.390 174.900 -0.011 0.000 1.023 101 G CA 1.134 46.223 45.100 -0.019 0.000 0.626 101 G HN 2.075 nan 8.290 nan 0.000 0.503 102 V N 1.440 121.347 119.914 -0.012 0.000 2.456 102 V HA 0.668 4.788 4.120 0.001 0.000 0.247 102 V C 1.296 177.406 176.094 0.027 0.000 1.056 102 V CA 1.601 63.901 62.300 -0.001 0.000 1.203 102 V CB -0.739 31.087 31.823 0.005 0.000 1.185 102 V HN 1.788 nan 8.190 nan 0.000 0.477 117 T N 3.446 117.990 114.554 -0.017 0.000 2.765 117 T HA 0.576 4.926 4.350 0.001 0.000 0.284 117 T C -1.095 173.585 174.700 -0.032 0.000 0.946 117 T CA -0.242 61.845 62.100 -0.021 0.000 1.185 117 T CB 0.364 69.228 68.868 -0.007 0.000 0.887 117 T HN 0.625 nan 8.240 nan 0.000 0.532 118 P HA 0.256 nan 4.420 nan 0.000 0.228 118 P C 1.223 178.479 177.300 -0.074 0.000 1.873 118 P CA -0.280 62.770 63.100 -0.084 0.000 1.033 118 P CB 0.367 31.999 31.700 -0.113 0.000 1.707 119 G N 1.124 109.902 108.800 -0.035 0.000 2.418 119 G HA2 -0.327 3.633 3.960 0.001 0.000 0.217 119 G HA3 -0.327 3.633 3.960 0.001 0.000 0.217 119 G C 1.828 176.726 174.900 -0.004 0.000 1.158 119 G CA 0.941 46.031 45.100 -0.017 0.000 0.771 119 G HN 0.452 nan 8.290 nan 0.000 0.545 120 R N 0.155 120.668 120.500 0.022 0.000 2.120 120 R HA 0.156 4.497 4.340 0.001 0.000 0.234 120 R C 2.646 178.983 176.300 0.063 0.000 1.123 120 R CA 1.639 57.802 56.100 0.104 0.000 0.975 120 R CB -1.226 29.219 30.300 0.241 0.000 0.866 120 R HN 0.328 nan 8.270 nan 0.000 0.446 121 V N 0.752 120.559 119.914 -0.178 0.000 2.358 121 V HA -0.199 3.921 4.120 0.001 0.000 0.246 121 V C 2.659 178.680 176.094 -0.120 0.000 1.047 121 V CA 1.979 64.072 62.300 -0.345 0.000 1.035 121 V CB -0.432 31.092 31.823 -0.499 0.000 0.658 121 V HN 0.586 nan 8.190 nan 0.000 0.452 122 R N 1.014 121.465 120.500 -0.081 0.000 2.073 122 R HA -0.179 4.162 4.340 0.001 0.000 0.234 122 R C 2.207 178.504 176.300 -0.004 0.000 1.134 122 R CA 2.190 58.267 56.100 -0.039 0.000 0.952 122 R CB -0.817 29.462 30.300 -0.035 0.000 0.850 122 R HN 0.633 nan 8.270 nan 0.000 0.433 123 E N -0.584 119.624 120.200 0.014 0.000 2.085 123 E HA -0.210 4.140 4.350 0.001 0.000 0.194 123 E C 1.676 178.306 176.600 0.049 0.000 0.994 123 E CA 1.510 57.929 56.400 0.032 0.000 0.801 123 E CB -0.224 29.502 29.700 0.043 0.000 0.743 123 E HN 0.455 nan 8.360 nan 0.000 0.453 124 A N 0.771 123.641 122.820 0.083 0.000 1.898 124 A HA -0.120 4.201 4.320 0.001 0.000 0.216 124 A C 2.196 179.820 177.584 0.067 0.000 1.181 124 A CA 0.995 53.096 52.037 0.107 0.000 0.620 124 A CB -0.628 18.509 19.000 0.229 0.000 0.819 124 A HN 0.308 nan 8.150 nan 0.000 0.442 125 L N -0.230 121.018 121.223 0.042 0.000 2.042 125 L HA -0.218 4.122 4.340 0.001 0.000 0.210 125 L C 1.770 178.652 176.870 0.019 0.000 1.076 125 L CA 1.468 56.322 54.840 0.022 0.000 0.749 125 L CB -0.578 41.480 42.059 -0.001 0.000 0.893 125 L HN 0.325 nan 8.230 nan 0.000 0.432 126 D N -0.123 120.287 120.400 0.017 0.000 2.310 126 D HA -0.149 4.491 4.640 0.001 0.000 0.212 126 D C 1.590 177.900 176.300 0.016 0.000 0.965 126 D CA 0.928 54.936 54.000 0.014 0.000 0.879 126 D CB -0.007 40.800 40.800 0.012 0.000 0.921 126 D HN 0.484 nan 8.370 nan 0.000 0.510 127 E N -0.455 119.758 120.200 0.023 0.000 2.465 127 E HA 0.229 4.579 4.350 0.001 0.000 0.191 127 E C 1.069 177.680 176.600 0.019 0.000 1.053 127 E CA 0.122 56.534 56.400 0.020 0.000 0.869 127 E CB 0.452 30.166 29.700 0.024 0.000 0.977 127 E HN 0.190 nan 8.360 nan 0.000 0.483 128 G N 2.356 111.168 108.800 0.020 0.000 2.143 128 G HA2 -0.308 3.653 3.960 0.001 0.000 0.248 128 G HA3 -0.308 3.653 3.960 0.001 0.000 0.248 128 G C 0.022 174.935 174.900 0.022 0.000 0.991 128 G CA 0.073 45.183 45.100 0.018 0.000 0.689 128 G HN 0.144 nan 8.290 nan 0.000 0.522 129 K N -0.088 120.332 120.400 0.033 0.000 2.185 129 K HA 0.508 4.828 4.320 0.001 0.000 0.271 129 K C 0.643 177.273 176.600 0.049 0.000 1.013 129 K CA -0.514 55.798 56.287 0.042 0.000 0.943 129 K CB 1.268 33.804 32.500 0.060 0.000 0.998 129 K HN 0.237 nan 8.250 nan 0.000 0.468 130 I N 3.236 123.833 120.570 0.044 0.000 2.322 130 I HA 0.048 4.219 4.170 0.001 0.000 0.292 130 I C 0.028 176.194 176.117 0.082 0.000 1.060 130 I CA -0.633 60.695 61.300 0.048 0.000 1.309 130 I CB 0.464 38.480 38.000 0.027 0.000 1.415 130 I HN 0.515 nan 8.210 nan 0.000 0.492 131 C N 7.491 126.852 119.300 0.102 0.000 2.536 131 C HA 0.513 4.974 4.460 0.001 0.000 0.396 131 C C 0.434 175.513 174.990 0.148 0.000 1.279 131 C CA -0.482 58.649 59.018 0.188 0.000 2.148 131 C CB -0.293 27.502 27.740 0.091 0.000 2.584 131 C HN 0.537 nan 8.230 nan 0.000 0.579 132 I N 2.664 123.367 120.570 0.221 0.000 2.545 132 I HA 0.576 4.746 4.170 0.001 0.000 0.292 132 I C -0.733 175.497 176.117 0.189 0.000 1.040 132 I CA -0.442 60.943 61.300 0.142 0.000 1.068 132 I CB 1.642 39.687 38.000 0.075 0.000 1.251 132 I HN 0.291 nan 8.210 nan 0.000 0.424 133 V N 4.366 124.339 119.914 0.098 0.000 2.638 133 V HA 0.749 4.870 4.120 0.001 0.000 0.306 133 V C 0.295 176.383 176.094 -0.010 0.000 1.052 133 V CA -0.153 62.189 62.300 0.070 0.000 0.885 133 V CB 1.500 33.333 31.823 0.016 0.000 0.999 133 V HN 0.987 nan 8.190 nan 0.000 0.424 134 A N 2.839 125.619 122.820 -0.067 0.000 1.998 134 A HA 0.618 4.939 4.320 0.001 0.000 0.180 134 A C 1.148 178.520 177.584 -0.354 0.000 1.858 134 A CA 0.676 52.616 52.037 -0.161 0.000 1.403 134 A CB -0.392 18.549 19.000 -0.098 0.000 1.550 134 A HN 1.046 nan 8.150 nan 0.000 0.385 135 G N -0.543 108.083 108.800 -0.290 0.000 2.481 135 G HA2 0.466 4.426 3.960 0.001 0.000 0.251 135 G HA3 0.466 4.426 3.960 0.001 0.000 0.251 135 G C -0.148 174.350 174.900 -0.670 0.000 1.492 135 G CA 0.194 45.067 45.100 -0.377 0.000 1.060 135 G HN 0.188 nan 8.290 nan 0.000 0.553 151 R N 0.006 120.409 120.500 -0.163 0.000 2.119 151 R HA 0.277 4.617 4.340 0.001 0.000 0.222 151 R C 2.112 178.368 176.300 -0.073 0.000 1.088 151 R CA 1.438 57.463 56.100 -0.124 0.000 0.984 151 R CB 0.211 30.411 30.300 -0.166 0.000 0.884 151 R HN 0.903 nan 8.270 nan 0.000 0.447 152 G N -0.934 107.837 108.800 -0.049 0.000 2.352 152 G HA2 -0.154 3.807 3.960 0.001 0.000 0.204 152 G HA3 -0.154 3.807 3.960 0.001 0.000 0.204 152 G C 0.556 175.477 174.900 0.034 0.000 1.004 152 G CA -0.230 44.865 45.100 -0.008 0.000 0.648 152 G HN 0.763 nan 8.290 nan 0.000 0.491 153 G N -0.223 108.616 108.800 0.065 0.000 2.488 153 G HA2 0.104 4.064 3.960 0.001 0.000 0.237 153 G HA3 0.104 4.064 3.960 0.001 0.000 0.237 153 G C 1.505 176.546 174.900 0.235 0.000 1.209 153 G CA 2.110 47.363 45.100 0.255 0.000 0.929 153 G HN 1.947 nan 8.290 nan 0.000 0.578 154 S N 0.100 115.914 115.700 0.190 0.000 2.392 154 S HA -0.179 4.291 4.470 0.001 0.000 0.232 154 S C 1.598 176.232 174.600 0.057 0.000 1.041 154 S CA 2.401 60.653 58.200 0.085 0.000 1.026 154 S CB -0.486 62.751 63.200 0.062 0.000 0.845 154 S HN 0.652 nan 8.310 nan 0.000 0.465 155 D N 1.045 121.479 120.400 0.057 0.000 2.078 155 D HA -0.092 4.548 4.640 0.001 0.000 0.193 155 D C 2.197 178.500 176.300 0.006 0.000 0.990 155 D CA 1.899 55.920 54.000 0.034 0.000 0.827 155 D CB -0.665 40.159 40.800 0.041 0.000 0.975 155 D HN 0.507 nan 8.370 nan 0.000 0.451 156 T N -0.353 114.189 114.554 -0.021 0.000 2.867 156 T HA -0.132 4.219 4.350 0.001 0.000 0.268 156 T C 1.988 176.604 174.700 -0.141 0.000 1.057 156 T CA 1.833 63.859 62.100 -0.124 0.000 1.136 156 T CB -0.291 68.450 68.868 -0.211 0.000 0.874 156 T HN 0.025 nan 8.240 nan 0.000 0.466 157 T N 0.441 114.965 114.554 -0.050 0.000 2.867 157 T HA 0.077 4.427 4.350 0.001 0.000 0.268 157 T C 2.037 176.711 174.700 -0.044 0.000 1.057 157 T CA 1.503 63.583 62.100 -0.034 0.000 1.136 157 T CB -0.608 68.282 68.868 0.038 0.000 0.874 157 T HN 0.462 nan 8.240 nan 0.000 0.466 158 A N 1.115 123.920 122.820 -0.024 0.000 1.873 158 A HA -0.011 4.310 4.320 0.001 0.000 0.215 158 A C 2.586 180.157 177.584 -0.022 0.000 1.186 158 A CA 2.084 54.110 52.037 -0.018 0.000 0.616 158 A CB -1.113 17.887 19.000 -0.000 0.000 0.823 158 A HN 0.663 nan 8.150 nan 0.000 0.442 159 V N -2.379 117.528 119.914 -0.012 0.000 2.515 159 V HA -0.009 4.112 4.120 0.001 0.000 0.250 159 V C 2.478 178.564 176.094 -0.014 0.000 1.058 159 V CA 1.733 64.046 62.300 0.022 0.000 1.064 159 V CB -1.449 30.424 31.823 0.084 0.000 0.675 159 V HN 0.511 nan 8.190 nan 0.000 0.461 160 A N 0.770 123.546 122.820 -0.075 0.000 1.873 160 A HA -0.049 4.271 4.320 0.001 0.000 0.215 160 A C 2.108 179.601 177.584 -0.151 0.000 1.186 160 A CA 2.092 54.050 52.037 -0.131 0.000 0.616 160 A CB -0.738 18.173 19.000 -0.148 0.000 0.823 160 A HN 0.489 nan 8.150 nan 0.000 0.442 161 L N -0.222 120.935 121.223 -0.109 0.000 2.042 161 L HA -0.161 4.179 4.340 0.001 0.000 0.210 161 L C 2.980 179.790 176.870 -0.100 0.000 1.076 161 L CA 1.960 56.734 54.840 -0.109 0.000 0.749 161 L CB -0.892 41.109 42.059 -0.096 0.000 0.893 161 L HN 0.407 nan 8.230 nan 0.000 0.432 162 A N -0.959 121.819 122.820 -0.070 0.000 1.933 162 A HA -0.114 4.206 4.320 0.001 0.000 0.218 162 A C 2.484 180.032 177.584 -0.059 0.000 1.175 162 A CA 1.697 53.708 52.037 -0.043 0.000 0.628 162 A CB -0.833 18.166 19.000 -0.002 0.000 0.814 162 A HN 0.395 nan 8.150 nan 0.000 0.444 163 A N -0.090 122.660 122.820 -0.116 0.000 1.873 163 A HA 0.202 4.522 4.320 0.001 0.000 0.215 163 A C 2.532 179.979 177.584 -0.228 0.000 1.186 163 A CA 2.025 53.940 52.037 -0.203 0.000 0.616 163 A CB -1.098 17.582 19.000 -0.533 0.000 0.823 163 A HN 1.026 nan 8.150 nan 0.000 0.442 164 A N -0.286 122.384 122.820 -0.249 0.000 1.877 164 A HA -0.024 4.296 4.320 0.001 0.000 0.216 164 A C 1.893 179.411 177.584 -0.110 0.000 1.186 164 A CA 1.542 53.467 52.037 -0.187 0.000 0.620 164 A CB -0.606 18.294 19.000 -0.167 0.000 0.822 164 A HN 0.468 nan 8.150 nan 0.000 0.443 165 L N -0.437 120.730 121.223 -0.093 0.000 2.627 165 L HA 0.081 4.421 4.340 0.001 0.000 0.232 165 L C 0.555 177.401 176.870 -0.040 0.000 1.150 165 L CA -0.040 54.763 54.840 -0.063 0.000 0.917 165 L CB -0.644 41.376 42.059 -0.065 0.000 1.104 165 L HN 0.466 nan 8.230 nan 0.000 0.445 166 N N 1.702 120.380 118.700 -0.037 0.000 2.669 166 N HA -0.205 4.535 4.740 0.001 0.000 0.266 166 N C 0.038 175.547 175.510 -0.001 0.000 1.024 166 N CA 0.671 53.716 53.050 -0.009 0.000 0.766 166 N CB -0.381 38.107 38.487 0.002 0.000 0.898 166 N HN 0.422 nan 8.380 nan 0.000 0.548 167 A N 0.784 123.602 122.820 -0.003 0.000 2.386 167 A HA 0.217 4.538 4.320 0.001 0.000 0.248 167 A C 1.219 178.816 177.584 0.021 0.000 1.082 167 A CA 0.162 52.202 52.037 0.005 0.000 0.789 167 A CB 0.372 19.374 19.000 0.002 0.000 1.025 167 A HN 0.455 nan 8.150 nan 0.000 0.490 168 D N -0.466 119.945 120.400 0.019 0.000 2.117 168 D HA 0.036 4.676 4.640 0.001 0.000 0.197 168 D C 0.506 176.822 176.300 0.028 0.000 0.987 168 D CA 1.969 55.983 54.000 0.023 0.000 0.829 168 D CB 0.001 40.812 40.800 0.018 0.000 0.961 168 D HN 0.324 nan 8.370 nan 0.000 0.460 169 V N -0.927 119.002 119.914 0.025 0.000 3.167 169 V HA 0.296 4.416 4.120 0.001 0.000 0.293 169 V C -1.862 174.244 176.094 0.021 0.000 1.379 169 V CA -1.082 61.232 62.300 0.024 0.000 1.019 169 V CB 2.280 34.107 31.823 0.006 0.000 1.115 169 V HN 0.183 nan 8.190 nan 0.000 0.442 170 C N 5.280 124.593 119.300 0.022 0.000 2.264 170 C HA 0.624 5.084 4.460 0.001 0.000 0.322 170 C C 0.029 175.006 174.990 -0.021 0.000 1.210 170 C CA -0.384 58.642 59.018 0.012 0.000 1.539 170 C CB -0.366 27.392 27.740 0.030 0.000 2.167 170 C HN 0.927 nan 8.230 nan 0.000 0.463 171 E N 4.846 125.023 120.200 -0.038 0.000 2.130 171 E HA 0.302 4.652 4.350 0.001 0.000 0.284 171 E C -0.725 175.773 176.600 -0.171 0.000 1.018 171 E CA -0.171 56.146 56.400 -0.138 0.000 0.817 171 E CB 1.058 30.693 29.700 -0.108 0.000 1.078 171 E HN 0.622 nan 8.360 nan 0.000 0.396 172 I N 3.933 124.375 120.570 -0.214 0.000 2.297 172 I HA 0.120 4.291 4.170 0.001 0.000 0.291 172 I C -0.606 175.360 176.117 -0.252 0.000 1.033 172 I CA -0.140 61.067 61.300 -0.156 0.000 1.253 172 I CB 0.016 37.973 38.000 -0.072 0.000 1.396 172 I HN 0.393 nan 8.210 nan 0.000 0.476 173 Y N 5.007 125.178 120.300 -0.215 0.000 2.361 173 Y HA 0.682 5.232 4.550 0.001 0.000 0.332 173 Y C 0.748 176.655 175.900 0.011 0.000 1.101 173 Y CA 0.021 58.038 58.100 -0.139 0.000 1.137 173 Y CB 1.819 40.080 38.460 -0.331 0.000 1.207 173 Y HN 0.702 nan 8.280 nan 0.000 0.463 174 S N -0.204 115.641 115.700 0.243 0.000 2.815 174 S HA 0.132 4.603 4.470 0.001 0.000 0.296 174 S C -0.111 174.677 174.600 0.314 0.000 1.224 174 S CA -0.324 58.022 58.200 0.243 0.000 0.938 174 S CB 0.699 63.987 63.200 0.147 0.000 1.285 174 S HN 0.644 nan 8.310 nan 0.000 0.549 175 D N 0.355 120.901 120.400 0.244 0.000 2.347 175 D HA 0.044 4.685 4.640 0.001 0.000 0.215 175 D C 0.469 176.818 176.300 0.082 0.000 0.976 175 D CA 0.391 54.474 54.000 0.138 0.000 0.884 175 D CB -0.345 40.428 40.800 -0.046 0.000 0.915 175 D HN 0.284 nan 8.370 nan 0.000 0.526 176 V N 3.061 123.033 119.914 0.095 0.000 2.488 176 V HA 0.019 4.139 4.120 0.001 0.000 0.277 176 V C 1.054 177.213 176.094 0.108 0.000 1.046 176 V CA -0.140 62.209 62.300 0.083 0.000 0.986 176 V CB 1.429 33.296 31.823 0.072 0.000 0.989 176 V HN 0.133 nan 8.190 nan 0.000 0.475 177 D N 2.637 123.119 120.400 0.136 0.000 2.354 177 D HA 0.290 4.930 4.640 0.001 0.000 0.209 177 D C 0.637 176.998 176.300 0.102 0.000 1.015 177 D CA 0.925 55.002 54.000 0.128 0.000 0.867 177 D CB 0.862 41.750 40.800 0.146 0.000 0.933 177 D HN 0.691 nan 8.370 nan 0.000 0.520 178 G N -1.232 107.665 108.800 0.162 0.000 2.320 178 G HA2 0.379 4.340 3.960 0.001 0.000 0.296 178 G HA3 0.379 4.340 3.960 0.001 0.000 0.296 178 G C -1.888 173.084 174.900 0.120 0.000 1.306 178 G CA -0.523 44.605 45.100 0.047 0.000 0.836 178 G HN 0.036 nan 8.290 nan 0.000 0.517 179 V N 0.562 120.456 119.914 -0.035 0.000 2.439 179 V HA 0.602 4.723 4.120 0.001 0.000 0.282 179 V C -0.797 175.244 176.094 -0.088 0.000 1.039 179 V CA -0.331 61.991 62.300 0.037 0.000 0.913 179 V CB 0.832 32.650 31.823 -0.009 0.000 0.983 179 V HN 0.582 nan 8.190 nan 0.000 0.460 180 Y N 1.344 121.651 120.300 0.011 0.000 2.509 180 Y HA 0.300 4.850 4.550 0.000 0.000 0.341 180 Y C 1.719 177.647 175.900 0.047 0.000 1.038 180 Y CA -0.445 57.671 58.100 0.026 0.000 1.089 180 Y CB 2.111 40.584 38.460 0.022 0.000 1.241 180 Y HN 0.750 nan 8.280 nan 0.000 0.468 181 T N -1.179 113.503 114.554 0.213 0.000 2.962 181 T HA 0.328 4.678 4.350 0.001 0.000 0.270 181 T C 0.508 175.374 174.700 0.277 0.000 1.088 181 T CA 0.933 63.154 62.100 0.202 0.000 1.127 181 T CB -0.107 68.888 68.868 0.212 0.000 0.883 181 T HN 0.682 nan 8.240 nan 0.000 0.493 182 A N 0.187 123.163 122.820 0.261 0.000 2.564 182 A HA 0.518 4.839 4.320 0.001 0.000 0.291 182 A C -1.576 176.042 177.584 0.058 0.000 1.102 182 A CA -0.755 51.366 52.037 0.140 0.000 0.660 182 A CB 0.501 19.541 19.000 0.067 0.000 1.283 182 A HN 0.135 nan 8.150 nan 0.000 0.430 183 D N 0.550 120.947 120.400 -0.006 0.000 2.382 183 D HA 0.257 4.898 4.640 0.001 0.000 0.259 183 D C -1.558 174.676 176.300 -0.111 0.000 1.224 183 D CA -1.170 52.791 54.000 -0.065 0.000 0.894 183 D CB 1.157 41.926 40.800 -0.051 0.000 1.127 183 D HN 0.071 nan 8.370 nan 0.000 0.487 184 P HA -0.058 nan 4.420 nan 0.000 0.220 184 P C 1.121 178.348 177.300 -0.121 0.000 1.148 184 P CA 0.895 63.901 63.100 -0.157 0.000 0.803 184 P CB 0.314 31.874 31.700 -0.235 0.000 0.782 185 R N -0.824 119.608 120.500 -0.113 0.000 2.092 185 R HA 0.012 4.352 4.340 0.001 0.000 0.231 185 R C 2.255 178.512 176.300 -0.072 0.000 1.119 185 R CA 1.099 57.149 56.100 -0.084 0.000 0.970 185 R CB -0.683 29.572 30.300 -0.074 0.000 0.864 185 R HN 0.252 nan 8.270 nan 0.000 0.440 186 I N 0.145 120.670 120.570 -0.075 0.000 2.235 186 I HA -0.072 4.098 4.170 0.001 0.000 0.241 186 I C 0.446 176.512 176.117 -0.086 0.000 1.085 186 I CA 0.647 61.908 61.300 -0.066 0.000 1.378 186 I CB 0.193 38.161 38.000 -0.054 0.000 1.076 186 I HN -0.136 nan 8.210 nan 0.000 0.415 187 V N 3.386 123.223 119.914 -0.128 0.000 2.347 187 V HA 0.164 4.284 4.120 0.001 0.000 0.280 187 V C -1.349 174.636 176.094 -0.182 0.000 1.021 187 V CA -1.166 61.016 62.300 -0.197 0.000 0.847 187 V CB 1.083 32.678 31.823 -0.380 0.000 0.990 187 V HN 0.075 nan 8.190 nan 0.000 0.444 188 P HA -0.105 nan 4.420 nan 0.000 0.216 188 P C 0.844 178.104 177.300 -0.066 0.000 1.153 188 P CA 1.213 64.265 63.100 -0.079 0.000 0.844 188 P CB 0.106 31.776 31.700 -0.050 0.000 0.787 189 N N 0.160 118.814 118.700 -0.076 0.000 2.501 189 N HA 0.085 4.825 4.740 0.001 0.000 0.195 189 N C 0.454 175.988 175.510 0.039 0.000 1.213 189 N CA -0.119 52.933 53.050 0.003 0.000 0.864 189 N CB -0.967 37.560 38.487 0.068 0.000 0.999 189 N HN 0.035 nan 8.380 nan 0.000 0.454 190 A N 0.190 122.952 122.820 -0.096 0.000 2.520 190 A HA 0.143 4.463 4.320 0.001 0.000 0.235 190 A C 0.158 177.867 177.584 0.209 0.000 1.065 190 A CA 0.079 52.130 52.037 0.023 0.000 0.764 190 A CB 0.182 19.166 19.000 -0.026 0.000 1.002 190 A HN 0.488 nan 8.150 nan 0.000 0.502 191 Q N 0.129 120.090 119.800 0.269 0.000 2.394 191 Q HA 0.405 4.745 4.340 0.001 0.000 0.273 191 Q C -0.752 175.243 176.000 -0.008 0.000 1.089 191 Q CA -0.727 55.165 55.803 0.148 0.000 0.812 191 Q CB 1.841 30.635 28.738 0.094 0.000 1.353 191 Q HN 0.743 nan 8.270 nan 0.000 0.438 192 K N 2.675 122.913 120.400 -0.271 0.000 2.297 192 K HA 0.229 4.549 4.320 0.001 0.000 0.286 192 K C -0.881 175.517 176.600 -0.336 0.000 1.053 192 K CA -0.403 55.457 56.287 -0.711 0.000 0.940 192 K CB 0.476 32.507 32.500 -0.782 0.000 1.019 192 K HN 0.453 nan 8.250 nan 0.000 0.475 193 L N 4.072 125.120 121.223 -0.292 0.000 2.426 193 L HA 0.039 4.380 4.340 0.001 0.000 0.271 193 L C 1.309 178.082 176.870 -0.161 0.000 1.169 193 L CA 0.701 55.440 54.840 -0.168 0.000 0.836 193 L CB 0.949 42.935 42.059 -0.122 0.000 1.112 193 L HN 0.780 nan 8.230 nan 0.000 0.465 194 E N 1.347 121.477 120.200 -0.117 0.000 2.166 194 E HA 0.059 4.410 4.350 0.001 0.000 0.192 194 E C 0.193 176.735 176.600 -0.097 0.000 0.967 194 E CA 0.500 56.839 56.400 -0.101 0.000 0.840 194 E CB 0.468 30.122 29.700 -0.078 0.000 0.795 194 E HN 0.401 nan 8.360 nan 0.000 0.470 195 K N 0.643 120.986 120.400 -0.095 0.000 2.546 195 K HA 0.416 4.737 4.320 0.001 0.000 0.264 195 K C -1.827 174.713 176.600 -0.101 0.000 0.937 195 K CA -0.523 55.703 56.287 -0.102 0.000 0.833 195 K CB 1.534 33.979 32.500 -0.092 0.000 1.378 195 K HN 0.066 nan 8.250 nan 0.000 0.432 196 L N -0.849 120.302 121.223 -0.121 0.000 2.600 196 L HA 0.647 4.987 4.340 0.001 0.000 0.257 196 L C -0.453 176.322 176.870 -0.159 0.000 1.048 196 L CA -1.005 53.769 54.840 -0.111 0.000 0.869 196 L CB 1.680 43.689 42.059 -0.084 0.000 1.482 196 L HN 0.680 nan 8.230 nan 0.000 0.408 197 S N -0.705 114.921 115.700 -0.124 0.000 2.632 197 S HA 0.458 4.928 4.470 0.001 0.000 0.267 197 S C 0.801 175.330 174.600 -0.120 0.000 1.276 197 S CA -0.493 57.620 58.200 -0.145 0.000 0.998 197 S CB 0.579 63.756 63.200 -0.038 0.000 0.953 197 S HN 0.589 nan 8.310 nan 0.000 0.547 198 F N 1.647 121.591 119.950 -0.009 0.000 2.091 198 F HA -0.166 4.362 4.527 0.001 0.000 0.299 198 F C 2.815 178.611 175.800 -0.007 0.000 1.103 198 F CA 1.892 59.889 58.000 -0.005 0.000 1.228 198 F CB -0.279 38.718 39.000 -0.005 0.000 0.984 198 F HN 0.705 nan 8.300 nan 0.000 0.477 199 E N 0.551 120.860 120.200 0.180 0.000 2.158 199 E HA -0.163 4.188 4.350 0.001 0.000 0.191 199 E C 1.739 178.368 176.600 0.048 0.000 0.982 199 E CA 1.083 57.538 56.400 0.092 0.000 0.823 199 E CB -0.830 28.907 29.700 0.062 0.000 0.766 199 E HN 0.521 nan 8.360 nan 0.000 0.468 200 E N 0.377 120.594 120.200 0.028 0.000 2.118 200 E HA -0.177 4.173 4.350 0.001 0.000 0.195 200 E C 1.962 178.567 176.600 0.009 0.000 0.992 200 E CA 1.535 57.937 56.400 0.004 0.000 0.804 200 E CB -0.163 29.526 29.700 -0.019 0.000 0.741 200 E HN 0.134 nan 8.360 nan 0.000 0.458 201 M N 0.229 119.840 119.600 0.018 0.000 2.200 201 M HA -0.086 4.394 4.480 0.001 0.000 0.265 201 M C 1.665 177.992 176.300 0.045 0.000 1.066 201 M CA 1.125 56.441 55.300 0.026 0.000 1.127 201 M CB 0.045 32.660 32.600 0.024 0.000 1.379 201 M HN 0.020 nan 8.290 nan 0.000 0.420 202 L N 0.450 121.709 121.223 0.061 0.000 2.017 202 L HA -0.168 4.172 4.340 0.001 0.000 0.208 202 L C 2.441 179.331 176.870 0.035 0.000 1.073 202 L CA 1.805 56.677 54.840 0.053 0.000 0.745 202 L CB -1.506 40.586 42.059 0.055 0.000 0.894 202 L HN 0.336 nan 8.230 nan 0.000 0.432 203 E N -0.718 119.498 120.200 0.026 0.000 2.047 203 E HA -0.178 4.173 4.350 0.001 0.000 0.191 203 E C 2.207 178.820 176.600 0.020 0.000 0.987 203 E CA 0.648 57.057 56.400 0.016 0.000 0.799 203 E CB -0.436 29.268 29.700 0.007 0.000 0.752 203 E HN 0.273 nan 8.360 nan 0.000 0.449 204 L N 0.816 122.053 121.223 0.022 0.000 2.083 204 L HA -0.091 4.249 4.340 0.001 0.000 0.209 204 L C 2.067 178.958 176.870 0.035 0.000 1.083 204 L CA 1.797 56.654 54.840 0.028 0.000 0.752 204 L CB -0.804 41.271 42.059 0.026 0.000 0.899 204 L HN -0.014 nan 8.230 nan 0.000 0.433 205 A N -0.878 121.963 122.820 0.035 0.000 2.072 205 A HA 0.125 4.446 4.320 0.001 0.000 0.216 205 A C 2.329 179.934 177.584 0.035 0.000 1.156 205 A CA 0.990 53.050 52.037 0.038 0.000 0.701 205 A CB -0.438 18.588 19.000 0.042 0.000 0.816 205 A HN 0.489 nan 8.150 nan 0.000 0.458 206 A N -0.202 122.636 122.820 0.031 0.000 2.066 206 A HA 0.177 4.498 4.320 0.001 0.000 0.218 206 A C 1.562 179.162 177.584 0.026 0.000 1.157 206 A CA 1.640 53.693 52.037 0.026 0.000 0.670 206 A CB -0.464 18.547 19.000 0.019 0.000 0.804 206 A HN 1.170 nan 8.150 nan 0.000 0.453 207 V N -4.699 115.232 119.914 0.029 0.000 3.078 207 V HA 0.671 4.792 4.120 0.001 0.000 0.344 207 V C 0.426 176.542 176.094 0.038 0.000 1.409 207 V CA 0.166 62.485 62.300 0.033 0.000 1.146 207 V CB -0.330 31.512 31.823 0.031 0.000 1.126 207 V HN 0.530 nan 8.190 nan 0.000 0.513 208 G N 0.358 109.180 108.800 0.037 0.000 2.870 208 G HA2 0.542 4.502 3.960 0.001 0.000 0.299 208 G HA3 0.542 4.502 3.960 0.001 0.000 0.299 208 G C -0.546 174.375 174.900 0.034 0.000 1.324 208 G CA -0.093 45.030 45.100 0.037 0.000 0.808 208 G HN 0.670 nan 8.290 nan 0.000 0.535 209 S N -0.315 115.404 115.700 0.032 0.000 2.549 209 S HA 0.294 4.765 4.470 0.001 0.000 0.283 209 S C -0.128 174.493 174.600 0.034 0.000 1.320 209 S CA -0.155 58.063 58.200 0.029 0.000 1.058 209 S CB 0.790 64.003 63.200 0.022 0.000 0.882 209 S HN 0.463 nan 8.310 nan 0.000 0.498 210 K N 2.185 122.606 120.400 0.035 0.000 2.273 210 K HA 0.346 4.666 4.320 0.001 0.000 0.287 210 K C 1.425 178.049 176.600 0.040 0.000 1.089 210 K CA 0.156 56.466 56.287 0.039 0.000 0.909 210 K CB 0.548 33.072 32.500 0.039 0.000 1.123 210 K HN 0.737 nan 8.250 nan 0.000 0.473 211 I N 3.605 124.201 120.570 0.043 0.000 2.252 211 I HA -0.007 4.163 4.170 0.001 0.000 0.245 211 I C 0.962 177.105 176.117 0.043 0.000 1.102 211 I CA 1.371 62.698 61.300 0.045 0.000 1.385 211 I CB -0.448 37.583 38.000 0.051 0.000 1.064 211 I HN 0.516 nan 8.210 nan 0.000 0.414 212 L N -0.925 120.324 121.223 0.044 0.000 2.256 212 L HA 0.601 4.942 4.340 0.001 0.000 0.261 212 L C -0.574 176.326 176.870 0.050 0.000 1.022 212 L CA -1.073 53.795 54.840 0.045 0.000 0.828 212 L CB 2.216 44.303 42.059 0.047 0.000 1.374 212 L HN 0.066 nan 8.230 nan 0.000 0.436 213 V N 2.391 122.336 119.914 0.052 0.000 2.427 213 V HA 0.006 4.127 4.120 0.001 0.000 0.268 213 V C 1.120 177.253 176.094 0.064 0.000 1.046 213 V CA -0.332 62.000 62.300 0.054 0.000 0.970 213 V CB 1.023 32.876 31.823 0.050 0.000 1.001 213 V HN 0.572 nan 8.190 nan 0.000 0.476 214 L N 5.188 126.447 121.223 0.060 0.000 1.997 214 L HA -0.204 4.136 4.340 0.001 0.000 0.216 214 L C 2.498 179.421 176.870 0.088 0.000 1.074 214 L CA 2.056 56.935 54.840 0.066 0.000 0.763 214 L CB -0.841 41.248 42.059 0.051 0.000 0.890 214 L HN 0.625 nan 8.230 nan 0.000 0.434 215 R N -0.822 119.734 120.500 0.094 0.000 2.091 215 R HA -0.183 4.157 4.340 0.001 0.000 0.238 215 R C 2.456 178.888 176.300 0.219 0.000 1.136 215 R CA 1.724 57.913 56.100 0.148 0.000 0.959 215 R CB -0.589 29.784 30.300 0.122 0.000 0.856 215 R HN 0.612 nan 8.270 nan 0.000 0.437 216 S N 0.124 115.904 115.700 0.133 0.000 2.382 216 S HA -0.093 4.378 4.470 0.001 0.000 0.228 216 S C 2.093 176.803 174.600 0.182 0.000 1.027 216 S CA 1.352 59.626 58.200 0.123 0.000 0.991 216 S CB -0.446 62.791 63.200 0.062 0.000 0.823 216 S HN 0.091 nan 8.310 nan 0.000 0.469 217 V N 1.947 121.953 119.914 0.154 0.000 2.548 217 V HA -0.053 4.067 4.120 0.001 0.000 0.249 217 V C 2.799 178.977 176.094 0.139 0.000 1.055 217 V CA 1.931 64.333 62.300 0.170 0.000 1.065 217 V CB -1.016 30.897 31.823 0.150 0.000 0.681 217 V HN 0.474 nan 8.190 nan 0.000 0.462 218 E N -0.082 120.186 120.200 0.114 0.000 2.153 218 E HA -0.198 4.152 4.350 0.001 0.000 0.194 218 E C 1.962 178.535 176.600 -0.046 0.000 0.988 218 E CA 1.531 57.941 56.400 0.017 0.000 0.811 218 E CB -0.388 29.321 29.700 0.014 0.000 0.746 218 E HN 0.692 nan 8.360 nan 0.000 0.466 219 Y N -0.278 120.019 120.300 -0.006 0.000 2.200 219 Y HA -0.098 4.452 4.550 0.001 0.000 0.290 219 Y C 2.283 178.211 175.900 0.048 0.000 1.137 219 Y CA 1.153 59.289 58.100 0.059 0.000 1.163 219 Y CB -0.382 38.165 38.460 0.146 0.000 0.988 219 Y HN 0.168 nan 8.280 nan 0.000 0.518 220 A N 0.286 123.205 122.820 0.165 0.000 1.908 220 A HA -0.261 4.059 4.320 0.001 0.000 0.218 220 A C 2.213 179.458 177.584 -0.566 0.000 1.181 220 A CA 1.959 54.030 52.037 0.056 0.000 0.627 220 A CB -0.753 18.419 19.000 0.286 0.000 0.818 220 A HN 0.465 nan 8.150 nan 0.000 0.445 221 R N -0.351 119.683 120.500 -0.777 0.000 2.073 221 R HA -0.113 4.228 4.340 0.001 0.000 0.234 221 R C 2.292 178.172 176.300 -0.701 0.000 1.134 221 R CA 1.633 57.033 56.100 -1.167 0.000 0.952 221 R CB -0.470 29.527 30.300 -0.505 0.000 0.850 221 R HN 0.416 nan 8.270 nan 0.000 0.433 222 A N 0.014 122.534 122.820 -0.500 0.000 1.902 222 A HA -0.118 4.202 4.320 0.001 0.000 0.217 222 A C 1.551 178.753 177.584 -0.637 0.000 1.181 222 A CA 1.234 52.915 52.037 -0.594 0.000 0.623 222 A CB -0.418 18.110 19.000 -0.786 0.000 0.818 222 A HN 0.428 nan 8.150 nan 0.000 0.443 223 F N -0.838 118.996 119.950 -0.193 0.000 2.664 223 F HA 0.273 4.801 4.527 0.001 0.000 0.303 223 F C 0.870 176.612 175.800 -0.097 0.000 1.092 223 F CA -0.297 57.640 58.000 -0.105 0.000 1.305 223 F CB -0.147 38.834 39.000 -0.032 0.000 1.054 223 F HN 0.231 nan 8.300 nan 0.000 0.565 224 N N 1.613 120.251 118.700 -0.104 0.000 2.705 224 N HA -0.208 4.532 4.740 0.001 0.000 0.255 224 N C -0.607 175.042 175.510 0.231 0.000 1.008 224 N CA 0.305 53.355 53.050 -0.000 0.000 0.742 224 N CB -0.893 37.644 38.487 0.083 0.000 0.906 224 N HN 0.167 nan 8.380 nan 0.000 0.541 225 V N 2.117 122.181 119.914 0.250 0.000 2.383 225 V HA 0.444 4.564 4.120 0.001 0.000 0.275 225 V C -1.926 174.378 176.094 0.351 0.000 1.036 225 V CA -1.614 60.838 62.300 0.253 0.000 0.889 225 V CB 1.196 33.124 31.823 0.175 0.000 0.985 225 V HN 0.116 nan 8.190 nan 0.000 0.459 226 P HA 0.198 nan 4.420 nan 0.000 0.264 226 P C -0.858 176.484 177.300 0.070 0.000 1.193 226 P CA 0.406 63.564 63.100 0.097 0.000 0.763 226 P CB 0.351 32.073 31.700 0.035 0.000 0.810 227 L N 3.821 125.058 121.223 0.025 0.000 2.334 227 L HA 0.605 4.945 4.340 0.001 0.000 0.273 227 L C 0.680 177.515 176.870 -0.059 0.000 1.013 227 L CA -0.713 54.131 54.840 0.006 0.000 0.816 227 L CB 1.977 44.064 42.059 0.047 0.000 1.278 227 L HN 0.255 nan 8.230 nan 0.000 0.431 228 R N 1.829 122.277 120.500 -0.086 0.000 2.468 228 R HA 0.459 4.800 4.340 0.001 0.000 0.302 228 R C -1.573 174.620 176.300 -0.179 0.000 1.041 228 R CA -0.520 55.502 56.100 -0.130 0.000 0.899 228 R CB 1.603 31.818 30.300 -0.142 0.000 1.167 228 R HN 0.422 nan 8.270 nan 0.000 0.483 229 V N 6.467 126.300 119.914 -0.136 0.000 2.405 229 V HA 0.307 4.427 4.120 0.001 0.000 0.264 229 V C 0.254 176.257 176.094 -0.152 0.000 1.048 229 V CA 0.111 62.335 62.300 -0.128 0.000 0.966 229 V CB 0.246 32.035 31.823 -0.056 0.000 1.015 229 V HN 0.766 nan 8.190 nan 0.000 0.477 230 R N 2.765 123.120 120.500 -0.242 0.000 2.817 230 R HA 0.741 5.081 4.340 0.001 0.000 0.268 230 R C -0.655 175.583 176.300 -0.103 0.000 1.027 230 R CA -0.699 55.279 56.100 -0.203 0.000 0.928 230 R CB 1.703 31.816 30.300 -0.310 0.000 1.228 230 R HN 0.438 nan 8.270 nan 0.000 0.469 231 S N -0.352 115.386 115.700 0.064 0.000 2.610 231 S HA 0.137 4.608 4.470 0.001 0.000 0.273 231 S C 0.715 175.554 174.600 0.398 0.000 1.274 231 S CA -0.165 58.176 58.200 0.235 0.000 1.023 231 S CB 1.155 64.496 63.200 0.235 0.000 0.962 231 S HN 0.710 nan 8.310 nan 0.000 0.523 232 S N 2.964 118.932 115.700 0.447 0.000 2.556 232 S HA 0.189 4.659 4.470 0.001 0.000 0.216 232 S C 0.457 175.052 174.600 -0.009 0.000 0.970 232 S CA -0.190 58.174 58.200 0.273 0.000 0.912 232 S CB -0.435 62.868 63.200 0.172 0.000 0.790 232 S HN 0.803 nan 8.310 nan 0.000 0.504 233 Y N 2.663 123.048 120.300 0.142 0.000 2.467 233 Y HA 0.397 4.947 4.550 -0.000 0.000 0.250 233 Y C 1.129 177.077 175.900 0.081 0.000 1.155 233 Y CA -0.101 58.053 58.100 0.090 0.000 1.249 233 Y CB 0.503 39.008 38.460 0.074 0.000 1.146 233 Y HN 0.503 nan 8.280 nan 0.000 0.524 234 S N -1.116 114.714 115.700 0.216 0.000 2.656 234 S HA 0.184 4.655 4.470 0.001 0.000 0.273 234 S C 0.183 174.861 174.600 0.129 0.000 1.168 234 S CA -0.753 57.539 58.200 0.152 0.000 0.817 234 S CB 0.859 64.144 63.200 0.141 0.000 1.146 234 S HN 0.221 nan 8.310 nan 0.000 0.475 235 N N 0.352 119.110 118.700 0.096 0.000 2.515 235 N HA -0.027 4.713 4.740 0.001 0.000 0.185 235 N C -0.168 175.385 175.510 0.073 0.000 1.109 235 N CA 0.139 53.237 53.050 0.081 0.000 0.903 235 N CB -0.533 37.989 38.487 0.059 0.000 0.969 235 N HN 0.738 nan 8.380 nan 0.000 0.450 236 D N 2.295 122.739 120.400 0.074 0.000 2.425 236 D HA 0.050 4.690 4.640 0.001 0.000 0.247 236 D C -1.246 175.072 176.300 0.030 0.000 1.147 236 D CA -1.302 52.727 54.000 0.048 0.000 0.879 236 D CB 1.907 42.739 40.800 0.053 0.000 1.179 236 D HN 0.078 nan 8.370 nan 0.000 0.456 237 P HA 0.038 nan 4.420 nan 0.000 0.225 237 P C 0.838 178.104 177.300 -0.058 0.000 1.156 237 P CA 0.655 63.743 63.100 -0.019 0.000 0.787 237 P CB 0.294 31.983 31.700 -0.019 0.000 0.802 238 G N -0.416 108.352 108.800 -0.054 0.000 2.593 238 G HA2 -0.167 3.793 3.960 0.001 0.000 0.237 238 G HA3 -0.167 3.793 3.960 0.001 0.000 0.237 238 G C -0.679 174.162 174.900 -0.099 0.000 1.312 238 G CA -0.157 44.897 45.100 -0.077 0.000 0.896 238 G HN 0.279 nan 8.290 nan 0.000 0.574 239 T N 0.816 115.305 114.554 -0.108 0.000 2.794 239 T HA 0.545 4.895 4.350 0.001 0.000 0.280 239 T C 0.114 174.750 174.700 -0.107 0.000 0.987 239 T CA -0.215 61.817 62.100 -0.113 0.000 0.993 239 T CB 1.733 70.531 68.868 -0.116 0.000 0.939 239 T HN 0.872 nan 8.240 nan 0.000 0.449 240 L N 3.977 125.135 121.223 -0.108 0.000 2.326 240 L HA 0.559 4.899 4.340 0.001 0.000 0.278 240 L C -1.060 175.721 176.870 -0.148 0.000 1.092 240 L CA -0.274 54.496 54.840 -0.117 0.000 0.810 240 L CB 0.359 42.354 42.059 -0.106 0.000 1.153 240 L HN 0.534 nan 8.230 nan 0.000 0.439 241 I N 5.776 126.238 120.570 -0.179 0.000 2.428 241 I HA 0.718 4.888 4.170 0.001 0.000 0.279 241 I C -0.203 175.600 176.117 -0.525 0.000 1.040 241 I CA 0.121 61.250 61.300 -0.285 0.000 1.171 241 I CB 1.007 38.894 38.000 -0.190 0.000 1.312 241 I HN 0.695 nan 8.210 nan 0.000 0.470 242 A N 4.065 126.532 122.820 -0.589 0.000 2.594 242 A HA 0.960 5.280 4.320 0.001 0.000 0.295 242 A C -0.134 177.150 177.584 -0.499 0.000 1.071 242 A CA -0.274 51.379 52.037 -0.640 0.000 0.685 242 A CB 1.436 20.283 19.000 -0.255 0.000 1.285 242 A HN 1.316 nan 8.150 nan 0.000 0.405 243 G N -0.150 108.478 108.800 -0.287 0.000 2.767 243 G HA2 0.333 4.294 3.960 0.001 0.000 0.686 243 G HA3 0.333 4.294 3.960 0.001 0.000 0.686 243 G C 0.035 174.993 174.900 0.097 0.000 1.213 243 G CA 0.104 45.194 45.100 -0.017 0.000 0.803 243 G HN 2.022 nan 8.290 nan 0.000 0.603 244 S N 1.199 117.010 115.700 0.185 0.000 2.592 244 S HA 0.449 4.919 4.470 0.001 0.000 0.271 244 S C 1.834 176.481 174.600 0.078 0.000 1.326 244 S CA 0.486 58.791 58.200 0.175 0.000 1.024 244 S CB 0.994 64.265 63.200 0.118 0.000 0.921 244 S HN 1.114 nan 8.310 nan 0.000 0.527 245 M N 2.812 122.452 119.600 0.067 0.000 2.229 245 M HA -0.062 4.419 4.480 0.001 0.000 0.264 245 M C 1.405 177.719 176.300 0.024 0.000 1.063 245 M CA 1.530 56.849 55.300 0.032 0.000 1.114 245 M CB -0.266 32.351 32.600 0.029 0.000 1.387 245 M HN 0.683 nan 8.290 nan 0.000 0.420 246 E N 0.883 121.098 120.200 0.026 0.000 2.110 246 E HA -0.187 4.163 4.350 0.001 0.000 0.193 246 E C 1.236 177.845 176.600 0.015 0.000 0.988 246 E CA 1.282 57.691 56.400 0.015 0.000 0.804 246 E CB -0.566 29.140 29.700 0.010 0.000 0.745 246 E HN 0.628 nan 8.360 nan 0.000 0.458 247 D N 0.216 120.629 120.400 0.021 0.000 2.349 247 D HA 0.063 4.704 4.640 0.001 0.000 0.224 247 D C 0.498 176.805 176.300 0.012 0.000 1.029 247 D CA 0.131 54.141 54.000 0.017 0.000 0.879 247 D CB 0.121 40.935 40.800 0.025 0.000 0.906 247 D HN 0.190 nan 8.370 nan 0.000 0.528 248 I N 2.392 122.969 120.570 0.011 0.000 2.396 248 I HA 0.123 4.293 4.170 0.001 0.000 0.289 248 I C -2.014 174.110 176.117 0.011 0.000 1.056 248 I CA -1.858 59.446 61.300 0.006 0.000 1.365 248 I CB 0.872 38.874 38.000 0.002 0.000 1.407 248 I HN -0.361 nan 8.210 nan 0.000 0.509 249 P HA -0.044 nan 4.420 nan 0.000 0.268 249 P C 0.898 178.214 177.300 0.026 0.000 1.204 249 P CA -0.034 63.075 63.100 0.014 0.000 0.768 249 P CB 0.905 32.611 31.700 0.011 0.000 0.842 250 V N 3.022 122.954 119.914 0.031 0.000 2.370 250 V HA -0.354 3.766 4.120 0.001 0.000 0.252 250 V C 2.364 178.515 176.094 0.095 0.000 1.068 250 V CA 3.051 65.385 62.300 0.057 0.000 1.061 250 V CB -1.242 30.596 31.823 0.025 0.000 0.656 250 V HN 0.696 nan 8.190 nan 0.000 0.455 251 E N -0.844 119.393 120.200 0.062 0.000 2.106 251 E HA -0.266 4.085 4.350 0.001 0.000 0.192 251 E C 1.887 178.515 176.600 0.047 0.000 0.984 251 E CA 1.401 57.841 56.400 0.066 0.000 0.806 251 E CB -0.607 29.116 29.700 0.039 0.000 0.750 251 E HN 0.880 nan 8.360 nan 0.000 0.458 252 E N -0.290 119.927 120.200 0.029 0.000 2.371 252 E HA 0.286 4.636 4.350 0.001 0.000 0.194 252 E C 1.030 177.630 176.600 -0.001 0.000 1.012 252 E CA 0.104 56.509 56.400 0.009 0.000 0.860 252 E CB 0.222 29.923 29.700 0.002 0.000 0.811 252 E HN 0.539 nan 8.360 nan 0.000 0.502 253 A N 1.707 124.536 122.820 0.014 0.000 2.498 253 A HA 0.260 4.581 4.320 0.001 0.000 0.239 253 A C 0.353 177.909 177.584 -0.048 0.000 1.068 253 A CA -0.136 51.899 52.037 -0.003 0.000 0.766 253 A CB 0.173 19.192 19.000 0.033 0.000 1.003 253 A HN 0.084 nan 8.150 nan 0.000 0.497 254 V N 0.287 120.164 119.914 -0.061 0.000 3.141 254 V HA 0.779 4.899 4.120 0.001 0.000 0.312 254 V C -0.675 175.361 176.094 -0.096 0.000 1.157 254 V CA -1.284 60.966 62.300 -0.084 0.000 1.041 254 V CB 1.483 33.267 31.823 -0.065 0.000 1.071 254 V HN 0.641 nan 8.190 nan 0.000 0.441 255 L N 1.728 122.885 121.223 -0.110 0.000 2.305 255 L HA 0.569 4.909 4.340 0.001 0.000 0.281 255 L C 1.320 178.132 176.870 -0.096 0.000 1.085 255 L CA 0.777 55.540 54.840 -0.129 0.000 0.813 255 L CB 1.057 43.009 42.059 -0.177 0.000 1.157 255 L HN 0.999 nan 8.230 nan 0.000 0.436 256 T N 1.110 115.614 114.554 -0.083 0.000 2.818 256 T HA 0.437 4.787 4.350 0.001 0.000 0.246 256 T C 0.620 175.297 174.700 -0.039 0.000 1.036 256 T CA 0.697 62.764 62.100 -0.055 0.000 1.160 256 T CB 0.129 68.972 68.868 -0.041 0.000 0.869 256 T HN 0.763 nan 8.240 nan 0.000 0.419 257 G N -0.239 108.543 108.800 -0.029 0.000 2.341 257 G HA2 0.475 4.436 3.960 0.001 0.000 0.299 257 G HA3 0.475 4.436 3.960 0.001 0.000 0.299 257 G C -2.143 172.778 174.900 0.035 0.000 1.274 257 G CA -0.669 44.439 45.100 0.014 0.000 0.853 257 G HN 0.187 nan 8.290 nan 0.000 0.493 258 V N 0.346 120.316 119.914 0.093 0.000 2.495 258 V HA 0.803 4.923 4.120 0.001 0.000 0.298 258 V C 0.329 176.478 176.094 0.090 0.000 1.031 258 V CA -0.142 62.217 62.300 0.099 0.000 0.871 258 V CB 1.150 33.054 31.823 0.136 0.000 0.988 258 V HN 1.530 nan 8.190 nan 0.000 0.432 259 A N 3.180 126.047 122.820 0.078 0.000 2.365 259 A HA 0.950 5.270 4.320 0.001 0.000 0.318 259 A C -0.066 177.555 177.584 0.061 0.000 1.091 259 A CA -0.497 51.579 52.037 0.064 0.000 0.763 259 A CB 1.691 20.725 19.000 0.057 0.000 1.248 259 A HN 0.935 nan 8.150 nan 0.000 0.442 260 T N -0.949 113.633 114.554 0.046 0.000 2.876 260 T HA 0.682 5.032 4.350 0.001 0.000 0.289 260 T C -1.529 173.189 174.700 0.031 0.000 1.014 260 T CA -0.574 61.549 62.100 0.038 0.000 0.986 260 T CB 1.895 70.778 68.868 0.026 0.000 1.021 260 T HN 0.462 nan 8.240 nan 0.000 0.458 261 D N 1.097 121.515 120.400 0.030 0.000 2.479 261 D HA 0.268 4.909 4.640 0.001 0.000 0.246 261 D C 0.389 176.701 176.300 0.020 0.000 1.336 261 D CA -0.723 53.293 54.000 0.026 0.000 0.967 261 D CB 1.479 42.298 40.800 0.032 0.000 1.275 261 D HN 0.780 nan 8.370 nan 0.000 0.577 262 K N 0.523 120.931 120.400 0.015 0.000 2.358 262 K HA 0.117 4.437 4.320 0.001 0.000 0.197 262 K C 0.916 177.522 176.600 0.010 0.000 1.025 262 K CA -0.114 56.178 56.287 0.008 0.000 1.104 262 K CB 0.334 32.837 32.500 0.004 0.000 0.855 262 K HN 0.117 nan 8.250 nan 0.000 0.531 263 S N 0.126 115.837 115.700 0.018 0.000 2.631 263 S HA 0.084 4.555 4.470 0.001 0.000 0.217 263 S C -0.025 174.594 174.600 0.031 0.000 0.958 263 S CA -0.512 57.703 58.200 0.024 0.000 0.920 263 S CB -0.134 63.083 63.200 0.029 0.000 0.776 263 S HN 0.185 nan 8.310 nan 0.000 0.517 264 E N 1.070 121.285 120.200 0.024 0.000 2.222 264 E HA 0.743 5.094 4.350 0.001 0.000 0.267 264 E C -0.850 175.751 176.600 0.003 0.000 0.963 264 E CA -0.698 55.720 56.400 0.031 0.000 0.837 264 E CB 1.971 31.691 29.700 0.033 0.000 1.183 264 E HN 0.310 nan 8.360 nan 0.000 0.403 265 A N 1.631 124.456 122.820 0.009 0.000 2.356 265 A HA 0.459 4.780 4.320 0.001 0.000 0.310 265 A C -0.546 176.989 177.584 -0.082 0.000 1.075 265 A CA -0.902 51.095 52.037 -0.066 0.000 0.746 265 A CB 0.824 19.805 19.000 -0.031 0.000 1.221 265 A HN 0.565 nan 8.150 nan 0.000 0.443 266 K N 1.241 121.544 120.400 -0.162 0.000 2.172 266 K HA 0.674 4.995 4.320 0.001 0.000 0.276 266 K C -1.179 175.256 176.600 -0.276 0.000 1.013 266 K CA -0.475 55.694 56.287 -0.197 0.000 0.913 266 K CB 1.549 33.960 32.500 -0.148 0.000 1.055 266 K HN 0.227 nan 8.250 nan 0.000 0.461 267 V N 2.768 122.383 119.914 -0.499 0.000 2.487 267 V HA 0.297 4.418 4.120 0.001 0.000 0.298 267 V C -0.691 175.084 176.094 -0.532 0.000 1.028 267 V CA -0.759 61.228 62.300 -0.522 0.000 0.860 267 V CB 1.932 33.294 31.823 -0.769 0.000 0.991 267 V HN 0.939 nan 8.190 nan 0.000 0.427 268 T N 4.063 118.452 114.554 -0.274 0.000 2.809 268 T HA 0.430 4.780 4.350 0.001 0.000 0.296 268 T C -0.247 174.345 174.700 -0.180 0.000 1.015 268 T CA -0.338 61.642 62.100 -0.199 0.000 0.954 268 T CB 1.368 70.162 68.868 -0.123 0.000 0.950 268 T HN 0.337 nan 8.240 nan 0.000 0.450 269 V N 5.704 125.475 119.914 -0.238 0.000 2.488 269 V HA 0.414 4.535 4.120 0.001 0.000 0.277 269 V C 0.016 175.960 176.094 -0.251 0.000 1.046 269 V CA -0.613 61.468 62.300 -0.365 0.000 0.986 269 V CB 0.344 31.734 31.823 -0.722 0.000 0.989 269 V HN 0.727 nan 8.190 nan 0.000 0.475 270 L N 3.082 124.214 121.223 -0.152 0.000 2.362 270 L HA 1.022 5.363 4.340 0.001 0.000 0.275 270 L C 0.371 177.253 176.870 0.019 0.000 0.998 270 L CA 0.228 55.035 54.840 -0.055 0.000 0.820 270 L CB 1.722 43.769 42.059 -0.021 0.000 1.270 270 L HN 0.798 nan 8.230 nan 0.000 0.415 271 G N 3.433 112.253 108.800 0.032 0.000 2.270 271 G HA2 -0.113 3.847 3.960 0.001 0.000 0.224 271 G HA3 -0.113 3.847 3.960 0.001 0.000 0.224 271 G C -0.294 174.687 174.900 0.134 0.000 1.079 271 G CA -0.143 45.009 45.100 0.086 0.000 0.807 271 G HN 0.598 nan 8.290 nan 0.000 0.492 272 I N 0.871 121.487 120.570 0.077 0.000 2.474 272 I HA 0.244 4.415 4.170 0.001 0.000 0.287 272 I C 1.445 177.618 176.117 0.093 0.000 1.048 272 I CA 0.045 61.409 61.300 0.106 0.000 1.383 272 I CB 1.385 39.398 38.000 0.022 0.000 1.412 272 I HN 0.106 nan 8.210 nan 0.000 0.531 273 S N 2.958 118.725 115.700 0.112 0.000 2.754 273 S HA -0.056 4.414 4.470 0.001 0.000 0.223 273 S C 0.554 175.189 174.600 0.060 0.000 0.951 273 S CA -0.060 58.188 58.200 0.080 0.000 0.954 273 S CB -0.677 62.571 63.200 0.079 0.000 0.780 273 S HN 0.709 nan 8.310 nan 0.000 0.509 274 D N 2.200 122.634 120.400 0.056 0.000 2.686 274 D HA -0.175 4.466 4.640 0.001 0.000 0.235 274 D C 0.122 176.446 176.300 0.040 0.000 1.160 274 D CA 0.991 55.017 54.000 0.043 0.000 0.645 274 D CB -0.873 39.947 40.800 0.034 0.000 1.039 274 D HN 0.703 nan 8.370 nan 0.000 0.423 275 K N -1.025 119.403 120.400 0.047 0.000 2.350 275 K HA 0.806 5.126 4.320 0.001 0.000 0.241 275 K C -2.833 173.793 176.600 0.044 0.000 0.994 275 K CA -1.758 54.553 56.287 0.040 0.000 0.839 275 K CB 1.439 33.963 32.500 0.039 0.000 1.244 275 K HN -0.227 nan 8.250 nan 0.000 0.443 276 P HA 0.118 nan 4.420 nan 0.000 0.268 276 P C 0.340 177.667 177.300 0.046 0.000 1.204 276 P CA 0.847 63.969 63.100 0.037 0.000 0.768 276 P CB 0.728 32.445 31.700 0.028 0.000 0.842 277 G N 0.746 109.578 108.800 0.054 0.000 2.195 277 G HA2 -0.332 3.628 3.960 0.001 0.000 0.246 277 G HA3 -0.332 3.628 3.960 0.001 0.000 0.246 277 G C 1.097 176.049 174.900 0.086 0.000 0.984 277 G CA 0.680 45.818 45.100 0.063 0.000 0.633 277 G HN 0.667 nan 8.290 nan 0.000 0.525 278 E N 0.092 120.347 120.200 0.093 0.000 2.072 278 E HA 0.403 4.753 4.350 0.001 0.000 0.190 278 E C 2.811 179.483 176.600 0.120 0.000 0.982 278 E CA 2.288 58.763 56.400 0.125 0.000 0.803 278 E CB -0.820 28.951 29.700 0.118 0.000 0.755 278 E HN 1.819 nan 8.360 nan 0.000 0.453 279 A N 0.809 123.694 122.820 0.108 0.000 1.969 279 A HA 0.295 4.615 4.320 0.001 0.000 0.218 279 A C 2.782 180.485 177.584 0.198 0.000 1.169 279 A CA 2.075 54.202 52.037 0.151 0.000 0.635 279 A CB -0.580 18.529 19.000 0.182 0.000 0.810 279 A HN 0.925 nan 8.150 nan 0.000 0.445 280 A N 0.124 123.032 122.820 0.146 0.000 1.902 280 A HA -0.166 4.155 4.320 0.001 0.000 0.217 280 A C 2.088 179.746 177.584 0.124 0.000 1.181 280 A CA 1.834 53.951 52.037 0.133 0.000 0.623 280 A CB -0.416 18.638 19.000 0.089 0.000 0.818 280 A HN 0.548 nan 8.150 nan 0.000 0.443 281 K N -0.444 120.032 120.400 0.126 0.000 2.057 281 K HA -0.082 4.239 4.320 0.001 0.000 0.207 281 K C 1.879 178.562 176.600 0.139 0.000 1.049 281 K CA 1.444 57.819 56.287 0.148 0.000 0.931 281 K CB -0.436 32.193 32.500 0.215 0.000 0.714 281 K HN 0.291 nan 8.250 nan 0.000 0.440 282 V N 0.668 120.607 119.914 0.042 0.000 2.233 282 V HA -0.241 3.879 4.120 0.001 0.000 0.247 282 V C 1.973 177.879 176.094 -0.313 0.000 1.050 282 V CA 1.872 64.028 62.300 -0.241 0.000 1.010 282 V CB -0.466 30.949 31.823 -0.680 0.000 0.637 282 V HN 0.173 nan 8.190 nan 0.000 0.444 283 F N -0.081 119.839 119.950 -0.051 0.000 2.416 283 F HA 0.079 4.606 4.527 0.001 0.000 0.296 283 F C 2.390 178.153 175.800 -0.063 0.000 1.099 283 F CA 0.987 58.923 58.000 -0.106 0.000 1.427 283 F CB -0.510 38.415 39.000 -0.124 0.000 1.079 283 F HN 0.017 nan 8.300 nan 0.000 0.536 284 R N 1.514 122.090 120.500 0.127 0.000 2.083 284 R HA -0.161 4.180 4.340 0.001 0.000 0.237 284 R C 2.179 178.509 176.300 0.050 0.000 1.137 284 R CA 1.902 58.047 56.100 0.076 0.000 0.951 284 R CB -0.990 29.350 30.300 0.068 0.000 0.851 284 R HN 0.156 nan 8.270 nan 0.000 0.434 285 A N 0.464 123.311 122.820 0.044 0.000 1.933 285 A HA -0.069 4.251 4.320 0.001 0.000 0.218 285 A C 2.293 179.889 177.584 0.020 0.000 1.175 285 A CA 1.567 53.627 52.037 0.038 0.000 0.628 285 A CB -0.562 18.477 19.000 0.065 0.000 0.814 285 A HN 0.384 nan 8.150 nan 0.000 0.444 286 L N -0.968 120.249 121.223 -0.010 0.000 2.027 286 L HA -0.135 4.205 4.340 0.001 0.000 0.206 286 L C 3.082 179.952 176.870 0.000 0.000 1.074 286 L CA 1.023 55.846 54.840 -0.028 0.000 0.745 286 L CB -0.527 41.457 42.059 -0.125 0.000 0.898 286 L HN 0.405 nan 8.230 nan 0.000 0.433 287 A N -0.277 122.554 122.820 0.018 0.000 1.972 287 A HA -0.220 4.100 4.320 0.001 0.000 0.219 287 A C 1.901 179.494 177.584 0.015 0.000 1.169 287 A CA 1.800 53.847 52.037 0.016 0.000 0.635 287 A CB -0.493 18.521 19.000 0.023 0.000 0.810 287 A HN 0.366 nan 8.150 nan 0.000 0.446 288 D N 0.207 120.618 120.400 0.018 0.000 2.182 288 D HA -0.063 4.577 4.640 0.001 0.000 0.201 288 D C 1.795 178.104 176.300 0.015 0.000 0.986 288 D CA 1.469 55.478 54.000 0.016 0.000 0.847 288 D CB -0.235 40.575 40.800 0.018 0.000 0.942 288 D HN 0.459 nan 8.370 nan 0.000 0.467 289 A N 0.238 123.068 122.820 0.017 0.000 2.278 289 A HA 0.070 4.391 4.320 0.001 0.000 0.212 289 A C 0.422 178.018 177.584 0.019 0.000 1.213 289 A CA 0.069 52.117 52.037 0.018 0.000 0.840 289 A CB -0.206 18.808 19.000 0.023 0.000 0.866 289 A HN 0.051 nan 8.150 nan 0.000 0.489 290 E N -0.627 119.582 120.200 0.015 0.000 2.440 290 E HA -0.172 4.178 4.350 0.001 0.000 0.246 290 E C -0.457 176.156 176.600 0.021 0.000 1.165 290 E CA 0.531 56.940 56.400 0.015 0.000 0.726 290 E CB -1.358 28.351 29.700 0.015 0.000 1.271 290 E HN 0.483 nan 8.360 nan 0.000 0.397 291 I N 1.677 122.259 120.570 0.021 0.000 2.406 291 I HA 0.035 4.205 4.170 0.001 0.000 0.293 291 I C 0.940 177.070 176.117 0.022 0.000 1.101 291 I CA 0.217 61.536 61.300 0.032 0.000 1.334 291 I CB -0.271 37.747 38.000 0.031 0.000 1.421 291 I HN 0.152 nan 8.210 nan 0.000 0.513 292 N N 6.691 125.414 118.700 0.038 0.000 2.458 292 N HA 0.177 4.917 4.740 0.001 0.000 0.258 292 N C -0.377 175.162 175.510 0.049 0.000 1.219 292 N CA -0.234 52.836 53.050 0.034 0.000 0.902 292 N CB 0.856 39.368 38.487 0.042 0.000 1.076 292 N HN 0.414 nan 8.380 nan 0.000 0.455 293 I N -0.961 119.621 120.570 0.021 0.000 2.436 293 I HA 0.299 4.469 4.170 0.001 0.000 0.289 293 I C 0.267 176.409 176.117 0.043 0.000 1.010 293 I CA -0.672 60.648 61.300 0.033 0.000 1.098 293 I CB 1.876 39.832 38.000 -0.074 0.000 1.266 293 I HN 0.405 nan 8.210 nan 0.000 0.434 294 D N 4.882 125.342 120.400 0.099 0.000 2.259 294 D HA 0.172 4.812 4.640 0.001 0.000 0.216 294 D C 0.337 176.670 176.300 0.054 0.000 0.961 294 D CA 0.868 54.910 54.000 0.071 0.000 0.878 294 D CB 0.449 41.300 40.800 0.085 0.000 1.009 294 D HN 0.647 nan 8.370 nan 0.000 0.490 295 M N 1.020 120.673 119.600 0.089 0.000 2.310 295 M HA 0.287 4.767 4.480 0.001 0.000 0.242 295 M C -2.151 174.216 176.300 0.113 0.000 1.000 295 M CA -0.584 54.755 55.300 0.065 0.000 0.970 295 M CB 1.726 34.360 32.600 0.056 0.000 2.191 295 M HN -0.284 nan 8.290 nan 0.000 0.470 296 V N 5.168 125.112 119.914 0.051 0.000 2.617 296 V HA 0.653 4.773 4.120 0.001 0.000 0.298 296 V C -0.585 175.552 176.094 0.071 0.000 1.048 296 V CA -0.595 61.761 62.300 0.093 0.000 0.964 296 V CB 1.746 33.512 31.823 -0.095 0.000 1.004 296 V HN 0.856 nan 8.190 nan 0.000 0.466 297 L N 3.816 125.106 121.223 0.113 0.000 2.505 297 L HA 0.566 4.907 4.340 0.001 0.000 0.266 297 L C -0.942 175.967 176.870 0.066 0.000 0.954 297 L CA -0.094 54.783 54.840 0.062 0.000 0.852 297 L CB 1.837 43.921 42.059 0.042 0.000 1.282 297 L HN 0.804 nan 8.230 nan 0.000 0.403 298 Q N 3.634 123.460 119.800 0.043 0.000 2.309 298 Q HA 0.418 4.759 4.340 0.001 0.000 0.273 298 Q C -1.865 174.146 176.000 0.018 0.000 1.040 298 Q CA -0.638 55.187 55.803 0.037 0.000 0.834 298 Q CB 2.509 31.279 28.738 0.053 0.000 1.345 298 Q HN 0.638 nan 8.270 nan 0.000 0.414 299 N N 0.666 119.374 118.700 0.012 0.000 2.619 299 N HA 0.507 5.248 4.740 0.001 0.000 0.294 299 N C -0.725 174.790 175.510 0.008 0.000 1.279 299 N CA -0.247 52.807 53.050 0.007 0.000 0.867 299 N CB 1.802 40.290 38.487 0.002 0.000 1.329 299 N HN 0.464 nan 8.380 nan 0.000 0.557 300 V N -1.030 118.887 119.914 0.006 0.000 3.133 300 V HA 0.418 4.539 4.120 0.001 0.000 0.305 300 V C 0.784 176.883 176.094 0.009 0.000 1.084 300 V CA -0.692 61.613 62.300 0.008 0.000 1.089 300 V CB 0.820 32.647 31.823 0.005 0.000 1.073 300 V HN 0.596 nan 8.190 nan 0.000 0.477 301 S N 1.392 117.099 115.700 0.011 0.000 2.580 301 S HA 0.268 4.738 4.470 0.001 0.000 0.274 301 S C 0.526 175.131 174.600 0.010 0.000 1.329 301 S CA -0.300 57.907 58.200 0.012 0.000 1.036 301 S CB 0.627 63.836 63.200 0.015 0.000 0.919 301 S HN 0.983 nan 8.310 nan 0.000 0.515 302 S N 3.738 119.443 115.700 0.010 0.000 4.087 302 S HA 0.122 4.592 4.470 0.001 0.000 0.213 302 S C 0.718 175.323 174.600 0.008 0.000 1.415 302 S CA -0.175 58.030 58.200 0.008 0.000 0.893 302 S CB -0.120 63.084 63.200 0.008 0.000 1.529 302 S HN 1.110 nan 8.310 nan 0.000 0.457 303 V N 1.155 121.073 119.914 0.008 0.000 2.888 303 V HA -0.239 3.881 4.120 0.001 0.000 0.152 303 V C 0.235 176.334 176.094 0.008 0.000 0.471 303 V CA 2.101 64.405 62.300 0.007 0.000 1.184 303 V CB -1.112 30.715 31.823 0.006 0.000 1.371 303 V HN 0.896 nan 8.190 nan 0.000 1.055 304 E N -1.277 118.929 120.200 0.010 0.000 2.398 304 E HA 0.352 4.702 4.350 0.001 0.000 0.280 304 E C 0.201 176.809 176.600 0.013 0.000 1.122 304 E CA 0.115 56.521 56.400 0.011 0.000 0.873 304 E CB 1.349 31.055 29.700 0.010 0.000 1.294 304 E HN 0.095 nan 8.360 nan 0.000 0.435 305 D N 0.321 120.730 120.400 0.014 0.000 2.154 305 D HA -0.195 4.445 4.640 0.001 0.000 0.165 305 D C 0.739 177.052 176.300 0.021 0.000 1.405 305 D CA 3.389 57.400 54.000 0.017 0.000 1.308 305 D CB -1.245 39.566 40.800 0.018 0.000 1.265 305 D HN 1.069 nan 8.370 nan 0.000 0.498 306 G N -0.397 108.415 108.800 0.020 0.000 2.179 306 G HA2 -0.226 3.735 3.960 0.001 0.000 0.257 306 G HA3 -0.226 3.735 3.960 0.001 0.000 0.257 306 G C 0.274 175.192 174.900 0.030 0.000 1.010 306 G CA 1.736 46.850 45.100 0.024 0.000 0.736 306 G HN 1.285 nan 8.290 nan 0.000 0.513 307 T N -2.247 112.324 114.554 0.029 0.000 2.906 307 T HA 0.872 5.222 4.350 0.001 0.000 0.295 307 T C -0.171 174.544 174.700 0.026 0.000 1.061 307 T CA 0.329 62.450 62.100 0.034 0.000 1.000 307 T CB 2.848 71.740 68.868 0.040 0.000 1.103 307 T HN 1.441 nan 8.240 nan 0.000 0.486 308 T N -1.463 113.105 114.554 0.024 0.000 2.778 308 T HA 0.684 5.034 4.350 0.001 0.000 0.293 308 T C -1.859 172.842 174.700 0.001 0.000 1.144 308 T CA -0.910 61.198 62.100 0.013 0.000 1.010 308 T CB 1.815 70.691 68.868 0.014 0.000 1.325 308 T HN 0.602 nan 8.240 nan 0.000 0.515 309 D N 0.275 120.670 120.400 -0.010 0.000 2.342 309 D HA 0.567 5.208 4.640 0.001 0.000 0.243 309 D C -0.585 175.697 176.300 -0.030 0.000 1.019 309 D CA -0.447 53.532 54.000 -0.035 0.000 0.864 309 D CB 2.025 42.805 40.800 -0.033 0.000 1.315 309 D HN 0.593 nan 8.370 nan 0.000 0.468 310 I N 1.137 121.671 120.570 -0.061 0.000 2.382 310 I HA 0.194 4.364 4.170 0.001 0.000 0.286 310 I C -0.160 175.961 176.117 0.007 0.000 1.002 310 I CA -0.379 60.922 61.300 0.002 0.000 1.135 310 I CB 1.705 39.707 38.000 0.003 0.000 1.288 310 I HN 0.012 nan 8.210 nan 0.000 0.448 311 T N 6.768 121.353 114.554 0.052 0.000 2.797 311 T HA 0.656 5.006 4.350 0.001 0.000 0.279 311 T C -0.582 174.208 174.700 0.150 0.000 0.991 311 T CA -0.361 61.741 62.100 0.003 0.000 0.979 311 T CB 0.997 69.846 68.868 -0.031 0.000 0.943 311 T HN 0.406 nan 8.240 nan 0.000 0.444 312 F N -0.167 119.822 119.950 0.064 0.000 2.613 312 F HA 0.827 5.354 4.527 0.000 0.000 0.314 312 F C -0.220 175.621 175.800 0.068 0.000 1.075 312 F CA -1.235 56.827 58.000 0.103 0.000 0.945 312 F CB 1.022 40.158 39.000 0.227 0.000 1.310 312 F HN 0.495 nan 8.300 nan 0.000 0.467 313 T N -0.036 114.697 114.554 0.298 0.000 2.823 313 T HA 0.720 5.070 4.350 0.001 0.000 0.279 313 T C -0.454 174.440 174.700 0.324 0.000 0.998 313 T CA -0.571 61.637 62.100 0.180 0.000 0.994 313 T CB 0.829 69.753 68.868 0.093 0.000 0.960 313 T HN 1.372 nan 8.240 nan 0.000 0.448 314 C N 0.679 120.137 119.300 0.263 0.000 3.080 314 C HA 0.873 5.334 4.460 0.001 0.000 0.307 314 C C -2.997 172.086 174.990 0.155 0.000 1.311 314 C CA -2.668 56.500 59.018 0.249 0.000 1.533 314 C CB 1.006 28.959 27.740 0.354 0.000 1.970 314 C HN 0.632 nan 8.230 nan 0.000 0.467 315 P HA 0.156 nan 4.420 nan 0.000 0.265 315 P C 0.657 178.022 177.300 0.108 0.000 1.187 315 P CA 0.407 63.564 63.100 0.095 0.000 0.766 315 P CB 0.376 32.123 31.700 0.079 0.000 0.820 316 R N 1.678 122.232 120.500 0.091 0.000 2.159 316 R HA -0.131 4.209 4.340 0.001 0.000 0.237 316 R C 2.067 178.436 176.300 0.115 0.000 1.131 316 R CA 1.975 58.140 56.100 0.109 0.000 0.982 316 R CB -0.616 29.730 30.300 0.075 0.000 0.868 316 R HN 0.611 nan 8.270 nan 0.000 0.453 317 S N 0.471 116.222 115.700 0.085 0.000 2.423 317 S HA -0.106 4.364 4.470 0.001 0.000 0.231 317 S C 1.195 175.839 174.600 0.073 0.000 1.014 317 S CA 1.144 59.386 58.200 0.071 0.000 0.965 317 S CB 0.072 63.304 63.200 0.054 0.000 0.785 317 S HN 0.197 nan 8.310 nan 0.000 0.495 318 D N 1.236 121.692 120.400 0.093 0.000 2.350 318 D HA 0.207 4.847 4.640 0.001 0.000 0.213 318 D C 1.973 178.342 176.300 0.116 0.000 1.031 318 D CA 0.662 54.720 54.000 0.096 0.000 0.861 318 D CB -0.338 40.527 40.800 0.109 0.000 0.926 318 D HN 0.523 nan 8.370 nan 0.000 0.520 319 G N 1.362 110.251 108.800 0.149 0.000 2.469 319 G HA2 -0.327 3.633 3.960 0.001 0.000 0.219 319 G HA3 -0.327 3.633 3.960 0.001 0.000 0.219 319 G C 1.659 176.516 174.900 -0.072 0.000 1.150 319 G CA 0.757 45.963 45.100 0.176 0.000 0.763 319 G HN 0.240 nan 8.290 nan 0.000 0.561 320 R N 0.140 120.586 120.500 -0.090 0.000 2.082 320 R HA -0.007 4.333 4.340 0.001 0.000 0.228 320 R C 2.765 179.017 176.300 -0.080 0.000 1.140 320 R CA 1.341 57.352 56.100 -0.148 0.000 0.920 320 R CB -0.380 29.873 30.300 -0.079 0.000 0.828 320 R HN 0.224 nan 8.270 nan 0.000 0.430 321 R N 0.031 120.520 120.500 -0.019 0.000 2.119 321 R HA -0.199 4.141 4.340 0.001 0.000 0.246 321 R C 2.344 178.659 176.300 0.025 0.000 1.146 321 R CA 1.603 57.706 56.100 0.005 0.000 0.962 321 R CB -0.572 29.741 30.300 0.022 0.000 0.863 321 R HN 0.410 nan 8.270 nan 0.000 0.442 322 A N 1.006 123.860 122.820 0.056 0.000 1.892 322 A HA -0.208 4.112 4.320 0.001 0.000 0.218 322 A C 2.182 179.821 177.584 0.092 0.000 1.188 322 A CA 1.551 53.662 52.037 0.124 0.000 0.631 322 A CB -0.374 18.773 19.000 0.244 0.000 0.822 322 A HN 0.150 nan 8.150 nan 0.000 0.447 323 M N -0.668 118.931 119.600 -0.000 0.000 2.175 323 M HA -0.111 4.370 4.480 0.001 0.000 0.264 323 M C 1.989 178.287 176.300 -0.003 0.000 1.063 323 M CA 1.501 56.780 55.300 -0.035 0.000 1.119 323 M CB -1.287 31.195 32.600 -0.197 0.000 1.377 323 M HN 0.560 nan 8.290 nan 0.000 0.415 324 E N 0.281 120.470 120.200 -0.018 0.000 2.051 324 E HA -0.176 4.175 4.350 0.001 0.000 0.192 324 E C 2.018 178.636 176.600 0.029 0.000 0.991 324 E CA 1.237 57.636 56.400 -0.002 0.000 0.799 324 E CB -0.194 29.499 29.700 -0.012 0.000 0.748 324 E HN 0.440 nan 8.360 nan 0.000 0.449 325 I N 1.013 121.609 120.570 0.044 0.000 2.163 325 I HA -0.294 3.876 4.170 0.001 0.000 0.243 325 I C 2.284 178.466 176.117 0.109 0.000 1.085 325 I CA 1.182 62.519 61.300 0.062 0.000 1.347 325 I CB -0.161 37.876 38.000 0.061 0.000 1.044 325 I HN 0.103 nan 8.210 nan 0.000 0.408 326 L N -0.139 121.176 121.223 0.153 0.000 2.313 326 L HA -0.087 4.254 4.340 0.001 0.000 0.214 326 L C 2.437 179.487 176.870 0.299 0.000 1.119 326 L CA 0.619 55.634 54.840 0.290 0.000 0.809 326 L CB -0.491 41.713 42.059 0.242 0.000 0.933 326 L HN 0.143 nan 8.230 nan 0.000 0.449 327 K N 0.790 121.284 120.400 0.157 0.000 2.103 327 K HA -0.096 4.225 4.320 0.001 0.000 0.204 327 K C 2.016 178.639 176.600 0.039 0.000 1.052 327 K CA 1.047 57.397 56.287 0.105 0.000 0.945 327 K CB 0.030 32.563 32.500 0.055 0.000 0.722 327 K HN 0.299 nan 8.250 nan 0.000 0.443 328 K N 0.599 121.014 120.400 0.024 0.000 2.026 328 K HA -0.029 4.291 4.320 0.001 0.000 0.208 328 K C 1.906 178.459 176.600 -0.079 0.000 1.048 328 K CA 0.831 57.105 56.287 -0.020 0.000 0.929 328 K CB -0.041 32.453 32.500 -0.009 0.000 0.713 328 K HN -0.023 nan 8.250 nan 0.000 0.439 329 L N 1.484 122.661 121.223 -0.077 0.000 2.465 329 L HA -0.099 4.241 4.340 0.001 0.000 0.224 329 L C 2.379 178.860 176.870 -0.648 0.000 1.145 329 L CA 1.358 56.040 54.840 -0.263 0.000 0.834 329 L CB -0.881 41.103 42.059 -0.126 0.000 0.944 329 L HN 0.374 nan 8.230 nan 0.000 0.451 330 Q N -0.228 119.317 119.800 -0.426 0.000 2.096 330 Q HA -0.138 4.202 4.340 0.001 0.000 0.204 330 Q C 0.906 176.648 176.000 -0.429 0.000 0.982 330 Q CA 1.105 56.581 55.803 -0.547 0.000 0.850 330 Q CB 0.299 29.006 28.738 -0.052 0.000 0.901 330 Q HN 0.288 nan 8.270 nan 0.000 0.422 335 W N -1.237 120.060 121.300 -0.005 0.000 2.967 335 W HA 0.829 5.489 4.660 0.001 0.000 0.342 335 W C 0.712 177.230 176.519 -0.003 0.000 1.162 335 W CA 0.314 57.657 57.345 -0.003 0.000 1.085 335 W CB 0.634 30.091 29.460 -0.005 0.000 1.460 335 W HN 0.045 nan 8.180 nan 0.000 0.584 336 T N 0.515 115.258 114.554 0.314 0.000 2.809 336 T HA 0.004 4.355 4.350 0.001 0.000 0.260 336 T C 0.006 174.812 174.700 0.177 0.000 1.039 336 T CA 1.236 63.440 62.100 0.173 0.000 1.141 336 T CB -0.366 68.572 68.868 0.117 0.000 0.869 336 T HN 0.511 nan 8.240 nan 0.000 0.437 337 N N -0.673 118.162 118.700 0.225 0.000 2.710 337 N HA 0.432 5.173 4.740 0.001 0.000 0.257 337 N C -2.250 173.343 175.510 0.139 0.000 1.327 337 N CA -0.476 52.667 53.050 0.155 0.000 0.861 337 N CB 2.127 40.663 38.487 0.082 0.000 1.532 337 N HN -0.169 nan 8.380 nan 0.000 0.499 338 V N 2.758 122.738 119.914 0.109 0.000 2.419 338 V HA 0.432 4.553 4.120 0.001 0.000 0.287 338 V C -0.653 175.464 176.094 0.039 0.000 1.017 338 V CA -0.630 61.703 62.300 0.055 0.000 0.844 338 V CB 1.070 32.958 31.823 0.109 0.000 1.011 338 V HN 0.483 nan 8.190 nan 0.000 0.429 339 L N 4.364 125.591 121.223 0.006 0.000 2.416 339 L HA 0.614 4.954 4.340 0.001 0.000 0.262 339 L C -0.562 176.350 176.870 0.069 0.000 1.093 339 L CA -0.359 54.496 54.840 0.025 0.000 0.801 339 L CB 0.724 42.774 42.059 -0.014 0.000 1.191 339 L HN 0.669 nan 8.230 nan 0.000 0.459 340 Y N 0.870 121.129 120.300 -0.069 0.000 2.479 340 Y HA 0.565 5.115 4.550 0.000 0.000 0.338 340 Y C -1.578 174.287 175.900 -0.058 0.000 1.055 340 Y CA -1.223 56.831 58.100 -0.076 0.000 1.023 340 Y CB 1.782 40.214 38.460 -0.048 0.000 1.287 340 Y HN 0.637 nan 8.280 nan 0.000 0.447 341 D N 4.010 123.948 120.400 -0.771 0.000 2.764 341 D HA 0.220 4.861 4.640 0.001 0.000 0.227 341 D C -1.417 174.476 176.300 -0.679 0.000 1.347 341 D CA -0.399 53.246 54.000 -0.593 0.000 0.953 341 D CB 1.320 41.950 40.800 -0.283 0.000 1.476 341 D HN 0.712 nan 8.370 nan 0.000 0.585 342 D N 1.831 121.886 120.400 -0.575 0.000 2.696 342 D HA 0.100 4.740 4.640 0.001 0.000 0.269 342 D C 0.219 176.426 176.300 -0.155 0.000 1.319 342 D CA -0.057 53.746 54.000 -0.328 0.000 0.826 342 D CB 0.245 40.909 40.800 -0.227 0.000 1.086 342 D HN 0.333 nan 8.370 nan 0.000 0.481 343 Q N 0.030 119.743 119.800 -0.145 0.000 2.112 343 Q HA 0.222 4.563 4.340 0.001 0.000 0.222 343 Q C -0.354 175.605 176.000 -0.069 0.000 0.798 343 Q CA -0.262 55.492 55.803 -0.082 0.000 1.060 343 Q CB 2.258 30.956 28.738 -0.066 0.000 1.184 343 Q HN 0.187 nan 8.270 nan 0.000 0.475 344 V N 0.452 120.317 119.914 -0.083 0.000 2.607 344 V HA 0.722 4.842 4.120 0.001 0.000 0.289 344 V C 0.047 176.122 176.094 -0.032 0.000 1.053 344 V CA 0.021 62.287 62.300 -0.058 0.000 0.996 344 V CB 1.284 33.064 31.823 -0.072 0.000 0.995 344 V HN 0.295 nan 8.190 nan 0.000 0.476 345 G N 4.519 113.310 108.800 -0.014 0.000 2.498 345 G HA2 0.595 4.555 3.960 0.001 0.000 0.312 345 G HA3 0.595 4.555 3.960 0.001 0.000 0.312 345 G C -1.387 173.523 174.900 0.017 0.000 1.230 345 G CA -0.783 44.318 45.100 0.002 0.000 0.968 345 G HN 0.819 nan 8.290 nan 0.000 0.481 346 K N 0.507 120.924 120.400 0.028 0.000 2.345 346 K HA 0.638 4.959 4.320 0.001 0.000 0.255 346 K C -1.243 175.395 176.600 0.063 0.000 0.934 346 K CA -0.554 55.760 56.287 0.045 0.000 0.801 346 K CB 2.076 34.599 32.500 0.039 0.000 1.137 346 K HN 0.273 nan 8.250 nan 0.000 0.424 347 V N 2.338 122.312 119.914 0.099 0.000 2.540 347 V HA 0.498 4.619 4.120 0.001 0.000 0.302 347 V C -0.783 175.437 176.094 0.210 0.000 1.035 347 V CA -0.814 61.565 62.300 0.132 0.000 0.873 347 V CB 1.806 33.705 31.823 0.128 0.000 0.992 347 V HN 0.822 nan 8.190 nan 0.000 0.428 348 S N 4.048 119.860 115.700 0.187 0.000 2.548 348 S HA 0.784 5.254 4.470 0.001 0.000 0.286 348 S C -1.055 173.678 174.600 0.221 0.000 1.098 348 S CA -0.525 57.797 58.200 0.204 0.000 0.930 348 S CB 2.096 65.354 63.200 0.097 0.000 1.070 348 S HN 0.633 nan 8.310 nan 0.000 0.480 349 L N 2.990 124.383 121.223 0.283 0.000 2.329 349 L HA 0.836 5.176 4.340 0.001 0.000 0.279 349 L C -1.348 175.537 176.870 0.025 0.000 1.014 349 L CA -0.337 54.592 54.840 0.148 0.000 0.814 349 L CB 1.431 43.619 42.059 0.214 0.000 1.257 349 L HN 0.501 nan 8.230 nan 0.000 0.424 350 V N 3.667 123.565 119.914 -0.027 0.000 2.760 350 V HA 0.995 5.116 4.120 0.001 0.000 0.309 350 V C -0.029 176.023 176.094 -0.070 0.000 1.077 350 V CA -0.082 62.195 62.300 -0.038 0.000 0.910 350 V CB 1.624 33.441 31.823 -0.010 0.000 1.008 350 V HN 1.031 nan 8.190 nan 0.000 0.424 351 G N 1.979 110.738 108.800 -0.069 0.000 2.405 351 G HA2 0.559 4.519 3.960 0.001 0.000 0.303 351 G HA3 0.559 4.519 3.960 0.001 0.000 0.303 351 G C 0.158 175.023 174.900 -0.058 0.000 1.644 351 G CA 0.159 45.215 45.100 -0.074 0.000 0.899 351 G HN 1.074 nan 8.290 nan 0.000 0.667 352 A N 0.458 123.254 122.820 -0.041 0.000 2.070 352 A HA 0.271 4.591 4.320 0.001 0.000 0.220 352 A C 2.614 180.194 177.584 -0.006 0.000 1.159 352 A CA 2.676 54.702 52.037 -0.018 0.000 0.656 352 A CB -0.571 18.424 19.000 -0.009 0.000 0.800 352 A HN 1.950 nan 8.150 nan 0.000 0.453 353 G N 0.745 109.518 108.800 -0.045 0.000 2.475 353 G HA2 -0.296 3.664 3.960 0.001 0.000 0.220 353 G HA3 -0.296 3.664 3.960 0.001 0.000 0.220 353 G C 1.582 176.483 174.900 0.001 0.000 1.125 353 G CA 1.379 46.432 45.100 -0.079 0.000 0.755 353 G HN 0.782 nan 8.290 nan 0.000 0.565 354 M N -0.271 119.321 119.600 -0.013 0.000 2.492 354 M HA 0.312 4.792 4.480 0.001 0.000 0.262 354 M C 2.180 178.524 176.300 0.073 0.000 1.090 354 M CA 1.618 56.935 55.300 0.029 0.000 1.110 354 M CB -0.108 32.468 32.600 -0.040 0.000 1.407 354 M HN 0.101 nan 8.290 nan 0.000 0.470 355 K N 1.051 121.488 120.400 0.061 0.000 2.103 355 K HA -0.086 4.235 4.320 0.001 0.000 0.207 355 K C 0.805 177.431 176.600 0.044 0.000 1.048 355 K CA 1.820 58.131 56.287 0.040 0.000 0.930 355 K CB 0.047 32.564 32.500 0.027 0.000 0.716 355 K HN 0.454 nan 8.250 nan 0.000 0.444 356 S N -0.591 115.161 115.700 0.087 0.000 2.578 356 S HA 0.133 4.603 4.470 0.001 0.000 0.231 356 S C -1.018 173.465 174.600 -0.195 0.000 0.994 356 S CA -0.468 57.707 58.200 -0.042 0.000 0.956 356 S CB 0.346 63.491 63.200 -0.092 0.000 0.870 356 S HN 0.298 nan 8.310 nan 0.000 0.494 357 H N 0.971 120.043 119.070 0.003 0.000 2.529 357 H HA 0.375 4.931 4.556 0.001 0.000 0.348 357 H C -2.042 173.300 175.328 0.023 0.000 1.079 357 H CA -1.580 54.477 56.048 0.016 0.000 1.198 357 H CB 1.271 31.047 29.762 0.023 0.000 1.521 357 H HN -0.071 nan 8.280 nan 0.000 0.514 358 P HA 0.060 nan 4.420 nan 0.000 0.228 358 P C 1.600 178.959 177.300 0.098 0.000 1.166 358 P CA 0.594 63.739 63.100 0.075 0.000 0.812 358 P CB 0.448 32.172 31.700 0.040 0.000 0.857 359 G N 0.283 109.159 108.800 0.127 0.000 2.534 359 G HA2 -0.130 3.830 3.960 0.001 0.000 0.217 359 G HA3 -0.130 3.830 3.960 0.001 0.000 0.217 359 G C 1.467 176.482 174.900 0.192 0.000 1.128 359 G CA 0.336 45.517 45.100 0.134 0.000 0.784 359 G HN 0.130 nan 8.290 nan 0.000 0.542 360 V N 1.119 121.160 119.914 0.212 0.000 2.261 360 V HA -0.202 3.918 4.120 0.001 0.000 0.246 360 V C 3.130 179.409 176.094 0.308 0.000 1.047 360 V CA 2.434 64.903 62.300 0.282 0.000 1.015 360 V CB -1.007 30.875 31.823 0.098 0.000 0.642 360 V HN 0.374 nan 8.190 nan 0.000 0.446 361 T N 0.288 114.944 114.554 0.170 0.000 2.788 361 T HA -0.144 4.207 4.350 0.001 0.000 0.268 361 T C 2.016 176.826 174.700 0.182 0.000 1.044 361 T CA 1.593 63.768 62.100 0.125 0.000 1.139 361 T CB -0.406 68.478 68.868 0.027 0.000 0.867 361 T HN 0.570 nan 8.240 nan 0.000 0.454 362 A N 1.563 124.478 122.820 0.157 0.000 1.873 362 A HA -0.083 4.238 4.320 0.001 0.000 0.215 362 A C 2.210 179.889 177.584 0.158 0.000 1.186 362 A CA 1.425 53.541 52.037 0.132 0.000 0.616 362 A CB -0.530 18.524 19.000 0.089 0.000 0.823 362 A HN 0.525 nan 8.150 nan 0.000 0.442 363 E N -1.278 119.032 120.200 0.183 0.000 2.118 363 E HA -0.192 4.158 4.350 0.001 0.000 0.195 363 E C 1.709 178.399 176.600 0.151 0.000 0.992 363 E CA 1.213 57.668 56.400 0.093 0.000 0.804 363 E CB -0.280 29.427 29.700 0.012 0.000 0.741 363 E HN 0.698 nan 8.360 nan 0.000 0.458 364 F N 1.067 121.183 119.950 0.275 0.000 2.025 364 F HA -0.324 4.203 4.527 0.001 0.000 0.297 364 F C 2.283 178.153 175.800 0.116 0.000 1.132 364 F CA 1.414 59.580 58.000 0.276 0.000 1.191 364 F CB -0.004 39.138 39.000 0.236 0.000 0.963 364 F HN -0.013 nan 8.300 nan 0.000 0.481 365 M N 0.270 120.149 119.600 0.466 0.000 2.149 365 M HA -0.222 4.258 4.480 0.001 0.000 0.261 365 M C 1.986 178.371 176.300 0.141 0.000 1.064 365 M CA 1.614 57.089 55.300 0.291 0.000 1.102 365 M CB -1.516 31.191 32.600 0.177 0.000 1.369 365 M HN 0.311 nan 8.290 nan 0.000 0.408 366 E N 0.159 120.414 120.200 0.092 0.000 2.106 366 E HA -0.084 4.266 4.350 0.001 0.000 0.192 366 E C 2.134 178.720 176.600 -0.023 0.000 0.984 366 E CA 1.098 57.511 56.400 0.022 0.000 0.806 366 E CB -0.111 29.590 29.700 0.001 0.000 0.750 366 E HN 0.517 nan 8.360 nan 0.000 0.458 367 A N 1.228 124.010 122.820 -0.064 0.000 1.902 367 A HA -0.162 4.158 4.320 0.001 0.000 0.217 367 A C 2.153 179.688 177.584 -0.080 0.000 1.181 367 A CA 1.095 53.061 52.037 -0.119 0.000 0.623 367 A CB -0.575 18.298 19.000 -0.212 0.000 0.818 367 A HN 0.144 nan 8.150 nan 0.000 0.443 368 L N -1.241 119.950 121.223 -0.053 0.000 2.217 368 L HA -0.077 4.263 4.340 0.001 0.000 0.211 368 L C 2.695 179.568 176.870 0.004 0.000 1.107 368 L CA 1.270 56.099 54.840 -0.018 0.000 0.783 368 L CB -0.541 41.536 42.059 0.031 0.000 0.919 368 L HN 0.490 nan 8.230 nan 0.000 0.442 369 R N 0.714 121.222 120.500 0.013 0.000 2.081 369 R HA -0.167 4.174 4.340 0.001 0.000 0.235 369 R C 1.488 177.785 176.300 -0.005 0.000 1.131 369 R CA 1.833 57.939 56.100 0.010 0.000 0.960 369 R CB -0.044 30.265 30.300 0.016 0.000 0.856 369 R HN 0.274 nan 8.270 nan 0.000 0.436 370 D N 0.109 120.498 120.400 -0.018 0.000 2.348 370 D HA -0.070 4.570 4.640 0.001 0.000 0.216 370 D C 1.284 177.569 176.300 -0.024 0.000 0.970 370 D CA 0.920 54.905 54.000 -0.024 0.000 0.889 370 D CB 0.528 41.305 40.800 -0.037 0.000 0.912 370 D HN 0.310 nan 8.370 nan 0.000 0.524 371 V N -2.225 117.675 119.914 -0.024 0.000 3.214 371 V HA 0.260 4.380 4.120 0.001 0.000 0.330 371 V C 0.451 176.538 176.094 -0.012 0.000 1.403 371 V CA -0.567 61.720 62.300 -0.021 0.000 1.143 371 V CB -0.504 31.303 31.823 -0.027 0.000 1.098 371 V HN -0.072 nan 8.190 nan 0.000 0.463 372 N N 0.605 119.300 118.700 -0.008 0.000 2.714 372 N HA -0.167 4.573 4.740 0.001 0.000 0.253 372 N C -0.615 174.896 175.510 0.001 0.000 1.024 372 N CA 1.001 54.050 53.050 -0.002 0.000 0.726 372 N CB -1.138 37.347 38.487 -0.004 0.000 0.908 372 N HN 0.539 nan 8.380 nan 0.000 0.542 373 V N 1.895 121.812 119.914 0.006 0.000 2.448 373 V HA 0.322 4.443 4.120 0.001 0.000 0.295 373 V C 0.591 176.700 176.094 0.025 0.000 1.025 373 V CA -1.092 61.216 62.300 0.013 0.000 0.859 373 V CB 1.721 33.553 31.823 0.014 0.000 0.988 373 V HN 0.394 nan 8.190 nan 0.000 0.431 374 N N 4.692 123.405 118.700 0.022 0.000 2.444 374 N HA 0.327 5.067 4.740 0.001 0.000 0.271 374 N C -0.686 174.845 175.510 0.036 0.000 1.069 374 N CA -0.431 52.634 53.050 0.026 0.000 0.965 374 N CB 0.966 39.462 38.487 0.015 0.000 1.092 374 N HN 0.585 nan 8.380 nan 0.000 0.476 375 I N 3.702 124.301 120.570 0.048 0.000 2.308 375 I HA 0.044 4.214 4.170 0.001 0.000 0.293 375 I C 1.327 177.462 176.117 0.031 0.000 1.078 375 I CA -0.057 61.277 61.300 0.057 0.000 1.292 375 I CB 0.825 38.873 38.000 0.080 0.000 1.423 375 I HN 0.552 nan 8.210 nan 0.000 0.493 376 E N 5.795 126.008 120.200 0.021 0.000 2.230 376 E HA 0.153 4.503 4.350 0.001 0.000 0.192 376 E C 0.076 176.675 176.600 -0.001 0.000 0.987 376 E CA 0.540 56.943 56.400 0.005 0.000 0.841 376 E CB 0.593 30.290 29.700 -0.005 0.000 0.783 376 E HN 0.533 nan 8.360 nan 0.000 0.481 377 L N -0.116 121.109 121.223 0.002 0.000 2.612 377 L HA 0.448 4.789 4.340 0.001 0.000 0.256 377 L C -2.001 174.862 176.870 -0.011 0.000 0.949 377 L CA -0.611 54.225 54.840 -0.007 0.000 0.867 377 L CB 1.783 43.835 42.059 -0.011 0.000 1.417 377 L HN -0.158 nan 8.230 nan 0.000 0.414 378 I N 2.699 123.254 120.570 -0.025 0.000 2.533 378 I HA 0.554 4.725 4.170 0.001 0.000 0.290 378 I C -0.737 175.349 176.117 -0.052 0.000 1.056 378 I CA -0.458 60.811 61.300 -0.053 0.000 1.057 378 I CB 2.141 40.100 38.000 -0.068 0.000 1.240 378 I HN 0.575 nan 8.210 nan 0.000 0.423 379 S N 3.501 119.161 115.700 -0.066 0.000 2.549 379 S HA 0.851 5.321 4.470 0.001 0.000 0.280 379 S C -0.766 173.786 174.600 -0.081 0.000 1.109 379 S CA -0.346 57.820 58.200 -0.055 0.000 0.905 379 S CB 1.834 65.016 63.200 -0.030 0.000 1.081 379 S HN 0.751 nan 8.310 nan 0.000 0.477 380 T N 0.154 114.666 114.554 -0.069 0.000 2.916 380 T HA 0.764 5.114 4.350 0.001 0.000 0.305 380 T C -0.363 174.305 174.700 -0.053 0.000 1.119 380 T CA -0.592 61.462 62.100 -0.077 0.000 1.008 380 T CB 1.309 70.123 68.868 -0.090 0.000 1.129 380 T HN 0.822 nan 8.240 nan 0.000 0.480 381 S N 0.514 116.185 115.700 -0.049 0.000 2.759 381 S HA 0.481 4.951 4.470 0.001 0.000 0.310 381 S C 1.054 175.633 174.600 -0.036 0.000 1.123 381 S CA -0.566 57.612 58.200 -0.037 0.000 0.959 381 S CB 1.620 64.803 63.200 -0.029 0.000 1.172 381 S HN 0.937 nan 8.310 nan 0.000 0.539 382 E N -0.275 119.909 120.200 -0.028 0.000 2.130 382 E HA -0.161 4.190 4.350 0.001 0.000 0.196 382 E C 1.193 177.780 176.600 -0.022 0.000 0.998 382 E CA 1.777 58.164 56.400 -0.022 0.000 0.806 382 E CB -0.176 29.514 29.700 -0.017 0.000 0.738 382 E HN 0.702 nan 8.360 nan 0.000 0.459 383 I N -1.873 118.683 120.570 -0.024 0.000 3.817 383 I HA 0.352 4.522 4.170 0.001 0.000 0.325 383 I C -0.304 175.791 176.117 -0.037 0.000 1.550 383 I CA -0.231 61.053 61.300 -0.027 0.000 1.100 383 I CB 0.045 38.034 38.000 -0.019 0.000 1.216 383 I HN -0.107 nan 8.210 nan 0.000 0.481 384 R N 1.774 122.249 120.500 -0.042 0.000 2.621 384 R HA 0.680 5.021 4.340 0.001 0.000 0.284 384 R C -1.717 174.535 176.300 -0.079 0.000 0.998 384 R CA -0.597 55.476 56.100 -0.045 0.000 0.895 384 R CB 2.425 32.709 30.300 -0.028 0.000 1.195 384 R HN 0.105 nan 8.270 nan 0.000 0.450 385 I N 2.916 123.424 120.570 -0.103 0.000 2.389 385 I HA 0.329 4.499 4.170 0.001 0.000 0.288 385 I C -0.599 175.405 176.117 -0.188 0.000 0.999 385 I CA -0.528 60.626 61.300 -0.242 0.000 1.129 385 I CB 1.646 39.344 38.000 -0.504 0.000 1.288 385 I HN 0.563 nan 8.210 nan 0.000 0.444 386 S N 5.528 121.131 115.700 -0.161 0.000 2.502 386 S HA 0.745 5.216 4.470 0.001 0.000 0.304 386 S C -0.216 174.343 174.600 -0.068 0.000 1.097 386 S CA -0.677 57.493 58.200 -0.050 0.000 1.045 386 S CB 2.530 65.722 63.200 -0.013 0.000 1.019 386 S HN 0.461 nan 8.310 nan 0.000 0.481 387 V N 1.593 121.529 119.914 0.038 0.000 2.769 387 V HA 0.691 4.812 4.120 0.001 0.000 0.312 387 V C -0.943 175.191 176.094 0.067 0.000 1.061 387 V CA -0.976 61.356 62.300 0.052 0.000 0.931 387 V CB 1.319 33.226 31.823 0.140 0.000 1.010 387 V HN 0.771 nan 8.190 nan 0.000 0.433 388 L N 5.866 127.111 121.223 0.037 0.000 2.295 388 L HA 0.698 5.038 4.340 0.001 0.000 0.285 388 L C -0.244 176.642 176.870 0.027 0.000 1.035 388 L CA -0.565 54.291 54.840 0.026 0.000 0.806 388 L CB 1.568 43.629 42.059 0.003 0.000 1.214 388 L HN 0.813 nan 8.230 nan 0.000 0.426 389 I N -0.183 120.402 120.570 0.024 0.000 3.467 389 I HA 0.544 4.715 4.170 0.001 0.000 0.314 389 I C -0.546 175.572 176.117 0.002 0.000 1.177 389 I CA -1.257 60.054 61.300 0.019 0.000 0.943 389 I CB 1.557 39.579 38.000 0.037 0.000 1.338 389 I HN 0.463 nan 8.210 nan 0.000 0.482 390 R N 2.014 122.513 120.500 -0.002 0.000 2.623 390 R HA 0.055 4.396 4.340 0.001 0.000 0.271 390 R C 1.305 177.600 176.300 -0.008 0.000 1.043 390 R CA 0.431 56.524 56.100 -0.011 0.000 1.083 390 R CB 0.169 30.463 30.300 -0.010 0.000 0.974 390 R HN 0.834 nan 8.270 nan 0.000 0.436 391 E N 1.321 121.512 120.200 -0.014 0.000 2.150 391 E HA -0.196 4.155 4.350 0.001 0.000 0.193 391 E C 0.140 176.735 176.600 -0.008 0.000 0.985 391 E CA 1.006 57.400 56.400 -0.010 0.000 0.814 391 E CB 0.041 29.732 29.700 -0.015 0.000 0.752 391 E HN 0.403 nan 8.360 nan 0.000 0.466 392 D N 1.360 121.754 120.400 -0.010 0.000 2.265 392 D HA -0.124 4.516 4.640 0.001 0.000 0.208 392 D C 0.843 177.139 176.300 -0.007 0.000 0.977 392 D CA 0.982 54.977 54.000 -0.009 0.000 0.871 392 D CB -0.134 40.660 40.800 -0.009 0.000 0.925 392 D HN 0.273 nan 8.370 nan 0.000 0.485 393 D N -0.451 119.946 120.400 -0.004 0.000 2.349 393 D HA 0.061 4.702 4.640 0.001 0.000 0.214 393 D C 2.212 178.512 176.300 -0.000 0.000 1.063 393 D CA -0.158 53.841 54.000 -0.002 0.000 0.847 393 D CB 0.244 41.045 40.800 0.002 0.000 0.933 393 D HN 0.224 nan 8.370 nan 0.000 0.513 394 L N 0.730 121.954 121.223 0.001 0.000 2.013 394 L HA -0.229 4.111 4.340 0.001 0.000 0.212 394 L C 1.686 178.555 176.870 -0.000 0.000 1.073 394 L CA 1.425 56.268 54.840 0.005 0.000 0.753 394 L CB -0.090 41.972 42.059 0.005 0.000 0.890 394 L HN -0.064 nan 8.230 nan 0.000 0.432 395 D N -0.297 120.099 120.400 -0.008 0.000 2.097 395 D HA -0.118 4.522 4.640 0.001 0.000 0.197 395 D C 2.188 178.478 176.300 -0.017 0.000 0.984 395 D CA 1.354 55.346 54.000 -0.015 0.000 0.826 395 D CB -0.158 40.630 40.800 -0.019 0.000 0.973 395 D HN 0.308 nan 8.370 nan 0.000 0.460 396 A N 0.972 123.783 122.820 -0.015 0.000 1.883 396 A HA -0.075 4.245 4.320 0.001 0.000 0.217 396 A C 2.277 179.849 177.584 -0.021 0.000 1.186 396 A CA 2.369 54.395 52.037 -0.017 0.000 0.624 396 A CB -0.856 18.135 19.000 -0.015 0.000 0.822 396 A HN 0.240 nan 8.150 nan 0.000 0.444 397 A N -0.359 122.450 122.820 -0.018 0.000 1.930 397 A HA 0.234 4.554 4.320 0.001 0.000 0.217 397 A C 2.491 180.053 177.584 -0.037 0.000 1.175 397 A CA 1.878 53.896 52.037 -0.032 0.000 0.627 397 A CB -0.959 18.033 19.000 -0.014 0.000 0.815 397 A HN 1.038 nan 8.150 nan 0.000 0.443 398 A N -0.046 122.767 122.820 -0.012 0.000 1.877 398 A HA -0.181 4.139 4.320 0.001 0.000 0.216 398 A C 2.249 179.849 177.584 0.026 0.000 1.186 398 A CA 1.746 53.788 52.037 0.008 0.000 0.620 398 A CB -0.427 18.578 19.000 0.008 0.000 0.822 398 A HN 0.527 nan 8.150 nan 0.000 0.443 399 R N -0.650 119.852 120.500 0.003 0.000 2.075 399 R HA 0.029 4.369 4.340 0.001 0.000 0.232 399 R C 2.468 178.786 176.300 0.029 0.000 1.126 399 R CA 1.138 57.245 56.100 0.012 0.000 0.963 399 R CB -0.446 29.842 30.300 -0.019 0.000 0.858 399 R HN 0.504 nan 8.270 nan 0.000 0.435 400 A N 0.906 123.718 122.820 -0.013 0.000 1.940 400 A HA -0.138 4.182 4.320 0.001 0.000 0.219 400 A C 2.072 179.618 177.584 -0.062 0.000 1.176 400 A CA 1.255 53.266 52.037 -0.044 0.000 0.631 400 A CB -0.493 18.467 19.000 -0.066 0.000 0.814 400 A HN 0.203 nan 8.150 nan 0.000 0.446 401 L N -1.896 119.298 121.223 -0.048 0.000 2.240 401 L HA -0.107 4.233 4.340 0.001 0.000 0.211 401 L C 2.599 179.541 176.870 0.121 0.000 1.106 401 L CA 1.022 55.858 54.840 -0.008 0.000 0.793 401 L CB -0.574 41.443 42.059 -0.071 0.000 0.927 401 L HN 0.534 nan 8.230 nan 0.000 0.446 402 H N 0.612 119.696 119.070 0.024 0.000 2.423 402 H HA -0.115 4.442 4.556 0.001 0.000 0.297 402 H C 1.830 177.173 175.328 0.026 0.000 1.075 402 H CA 1.567 57.642 56.048 0.044 0.000 1.342 402 H CB 0.515 30.290 29.762 0.022 0.000 1.395 402 H HN 0.472 nan 8.280 nan 0.000 0.530 403 E N 0.088 120.336 120.200 0.081 0.000 2.033 403 E HA -0.166 4.185 4.350 0.001 0.000 0.189 403 E C 2.276 178.824 176.600 -0.088 0.000 0.979 403 E CA 0.547 56.950 56.400 0.004 0.000 0.802 403 E CB -0.015 29.680 29.700 -0.009 0.000 0.763 403 E HN 0.205 nan 8.360 nan 0.000 0.449 404 Q N 0.537 120.230 119.800 -0.179 0.000 2.152 404 Q HA -0.158 4.182 4.340 0.001 0.000 0.206 404 Q C 0.910 176.576 176.000 -0.556 0.000 0.985 404 Q CA 1.630 57.187 55.803 -0.410 0.000 0.863 404 Q CB -0.175 28.202 28.738 -0.601 0.000 0.904 404 Q HN 0.278 nan 8.270 nan 0.000 0.422 405 F N 0.121 120.021 119.950 -0.084 0.000 2.647 405 F HA 0.293 4.820 4.527 0.000 0.000 0.300 405 F C 0.079 175.811 175.800 -0.112 0.000 1.106 405 F CA -0.316 57.631 58.000 -0.089 0.000 1.313 405 F CB 0.176 39.122 39.000 -0.090 0.000 1.007 405 F HN -0.016 nan 8.300 nan 0.000 0.536 406 Q N 0.514 120.309 119.800 -0.008 0.000 2.453 406 Q HA -0.235 4.105 4.340 0.001 0.000 0.294 406 Q C 0.913 176.870 176.000 -0.072 0.000 1.295 406 Q CA 0.275 56.059 55.803 -0.033 0.000 0.853 406 Q CB -1.913 26.815 28.738 -0.017 0.000 1.193 406 Q HN 0.602 nan 8.270 nan 0.000 0.461 407 L N -1.004 120.101 121.223 -0.197 0.000 2.478 407 L HA 0.057 4.397 4.340 0.001 0.000 0.223 407 L C 1.522 178.272 176.870 -0.200 0.000 1.140 407 L CA 0.662 55.305 54.840 -0.328 0.000 0.842 407 L CB -0.150 41.494 42.059 -0.692 0.000 0.953 407 L HN 0.360 nan 8.230 nan 0.000 0.452 408 G N 0.000 108.772 108.800 -0.047 0.000 5.446 408 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 408 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 408 G CA 0.000 45.198 45.100 0.163 0.000 0.502 408 G HN 0.000 nan 8.290 nan 0.000 0.925