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 1z0h_1_A DATA FIRST_RESID 853 DATA SEQUENCE NKYNSEILNN IILNLRYKDN NLIDLSGYGA KVEVYDGVEL NDKNQFKLTS DATA SEQUENCE SANSKIRVTQ NQNIIFNSVF LDFSVSFWIR IPKYKNDGIQ NYIHNEYTII DATA SEQUENCE NCMKNNSGWK ISIRGNRIIW TLIDINGKTK SVFFEYNIRE DISEYINRWF DATA SEQUENCE FVTITNNLNN AKIYINGKLE SNTDIKDIRE VIANGEIIFK LDGDIDRTQF DATA SEQUENCE IWMKYFSIFN TELSQSNIEE RYKIQSYSEY LKDFWGNPLM YNKEYYMFNA DATA SEQUENCE GNKNSYIKLK KDSPVGEILT RSKYNQNSKY INYRDLYIGE KFIIRRKSNS DATA SEQUENCE QSINDDIVRK EDYIYLDFFN LNQEWRVYTY KYFKKEEEKL FLAPISDSDE DATA SEQUENCE FYNTIQIKEY DEQPTYSCQL LFKKDEESTD EIGLIGIHRF YESGIVFEEY DATA SEQUENCE KDYFCISKWY LKEVKRKPYN LKLGCNWQFI PKDEGWTE 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 853 N HA 0.000 nan 4.740 nan 0.000 0.220 853 N C 0.000 175.562 175.510 0.087 0.000 1.280 853 N CA 0.000 53.065 53.050 0.026 0.000 0.885 853 N CB 0.000 38.456 38.487 -0.051 0.000 1.341 854 K N 0.672 121.129 120.400 0.094 0.000 3.069 854 K HA -0.231 4.091 4.320 0.003 0.000 0.267 854 K C -0.125 176.548 176.600 0.121 0.000 1.082 854 K CA 1.265 57.599 56.287 0.079 0.000 0.782 854 K CB -2.414 30.114 32.500 0.047 0.000 1.230 854 K HN 0.733 nan 8.250 nan 0.000 0.488 855 Y N -1.828 118.460 120.300 -0.020 0.000 2.467 855 Y HA 0.367 4.917 4.550 0.000 0.000 0.250 855 Y C 0.517 176.402 175.900 -0.024 0.000 1.155 855 Y CA -0.081 58.007 58.100 -0.020 0.000 1.249 855 Y CB 0.303 38.749 38.460 -0.024 0.000 1.146 855 Y HN 0.173 nan 8.280 nan 0.000 0.524 856 N N 0.024 118.706 118.700 -0.030 0.000 2.370 856 N HA 0.015 4.757 4.740 0.003 0.000 0.198 856 N C 0.924 176.358 175.510 -0.126 0.000 1.156 856 N CA 0.572 53.531 53.050 -0.152 0.000 0.839 856 N CB 0.329 38.804 38.487 -0.019 0.000 0.989 856 N HN 0.174 nan 8.380 nan 0.000 0.468 857 S N 0.062 115.703 115.700 -0.100 0.000 2.558 857 S HA -0.064 4.407 4.470 0.003 0.000 0.217 857 S C 1.647 176.207 174.600 -0.067 0.000 0.975 857 S CA -0.018 58.150 58.200 -0.053 0.000 0.912 857 S CB 0.075 63.264 63.200 -0.018 0.000 0.776 857 S HN 0.464 nan 8.310 nan 0.000 0.526 858 E N 2.338 122.450 120.200 -0.146 0.000 2.070 858 E HA -0.223 4.128 4.350 0.003 0.000 0.197 858 E C 1.760 178.318 176.600 -0.070 0.000 1.004 858 E CA 1.651 57.970 56.400 -0.134 0.000 0.805 858 E CB -0.356 29.200 29.700 -0.240 0.000 0.744 858 E HN 0.751 nan 8.360 nan 0.000 0.451 859 I N -1.309 119.219 120.570 -0.069 0.000 3.334 859 I HA -0.054 4.118 4.170 0.003 0.000 0.282 859 I C 1.493 177.690 176.117 0.134 0.000 1.313 859 I CA 0.585 61.880 61.300 -0.009 0.000 1.396 859 I CB -0.080 37.905 38.000 -0.025 0.000 1.054 859 I HN 0.086 nan 8.210 nan 0.000 0.495 860 L N 0.247 121.535 121.223 0.108 0.000 2.590 860 L HA 0.232 4.574 4.340 0.003 0.000 0.227 860 L C 0.447 177.427 176.870 0.184 0.000 1.099 860 L CA -0.178 54.755 54.840 0.155 0.000 0.872 860 L CB -0.486 41.615 42.059 0.069 0.000 1.088 860 L HN 0.226 nan 8.230 nan 0.000 0.479 861 N N 2.005 120.792 118.700 0.144 0.000 2.412 861 N HA -0.074 4.668 4.740 0.003 0.000 0.254 861 N C 0.448 176.102 175.510 0.239 0.000 1.232 861 N CA 0.512 53.642 53.050 0.134 0.000 0.880 861 N CB 0.095 38.620 38.487 0.064 0.000 1.076 861 N HN 0.149 nan 8.380 nan 0.000 0.458 862 N N -0.726 118.091 118.700 0.195 0.000 2.778 862 N HA -0.256 4.486 4.740 0.003 0.000 0.249 862 N C -0.143 175.489 175.510 0.204 0.000 1.069 862 N CA 0.501 53.680 53.050 0.215 0.000 0.831 862 N CB -1.343 37.272 38.487 0.214 0.000 1.142 862 N HN 0.621 nan 8.380 nan 0.000 0.573 863 I N 1.493 122.110 120.570 0.077 0.000 2.496 863 I HA 0.044 4.215 4.170 0.003 0.000 0.285 863 I C 1.527 177.598 176.117 -0.077 0.000 1.080 863 I CA -0.241 60.839 61.300 -0.366 0.000 1.404 863 I CB 0.518 38.298 38.000 -0.366 0.000 1.403 863 I HN 0.093 nan 8.210 nan 0.000 0.539 864 I N 5.993 126.475 120.570 -0.146 0.000 4.327 864 I HA 0.444 4.616 4.170 0.003 0.000 0.331 864 I C -0.783 175.385 176.117 0.085 0.000 1.348 864 I CA 0.042 61.319 61.300 -0.039 0.000 1.152 864 I CB 0.740 38.661 38.000 -0.131 0.000 1.151 864 I HN 0.374 nan 8.210 nan 0.000 0.410 865 L N 1.413 122.661 121.223 0.041 0.000 2.614 865 L HA 0.521 4.863 4.340 0.003 0.000 0.264 865 L C -1.731 175.193 176.870 0.089 0.000 0.940 865 L CA -0.276 54.651 54.840 0.146 0.000 0.903 865 L CB 1.741 43.959 42.059 0.265 0.000 1.306 865 L HN 0.276 nan 8.230 nan 0.000 0.410 866 N N 5.732 124.516 118.700 0.140 0.000 2.664 866 N HA 0.411 5.153 4.740 0.003 0.000 0.257 866 N C -1.439 174.202 175.510 0.218 0.000 1.108 866 N CA -0.557 52.582 53.050 0.149 0.000 0.822 866 N CB 0.870 39.407 38.487 0.083 0.000 1.199 866 N HN 0.601 nan 8.380 nan 0.000 0.529 867 L N 3.367 124.782 121.223 0.319 0.000 2.369 867 L HA 0.381 4.723 4.340 0.003 0.000 0.279 867 L C 0.477 177.533 176.870 0.310 0.000 1.108 867 L CA -0.016 54.996 54.840 0.286 0.000 0.852 867 L CB 0.287 42.529 42.059 0.306 0.000 1.169 867 L HN 0.387 nan 8.230 nan 0.000 0.452 868 R N 2.491 123.128 120.500 0.229 0.000 2.795 868 R HA 0.300 4.642 4.340 0.003 0.000 0.275 868 R C -1.117 175.315 176.300 0.219 0.000 0.981 868 R CA -1.011 55.245 56.100 0.260 0.000 0.917 868 R CB 2.378 32.801 30.300 0.205 0.000 1.202 868 R HN 0.329 nan 8.270 nan 0.000 0.469 869 Y N 1.729 122.120 120.300 0.150 0.000 2.425 869 Y HA 0.222 4.773 4.550 0.002 0.000 0.331 869 Y C -0.260 175.685 175.900 0.076 0.000 1.157 869 Y CA 0.691 58.853 58.100 0.104 0.000 1.372 869 Y CB 0.652 39.180 38.460 0.112 0.000 1.253 869 Y HN 0.440 nan 8.280 nan 0.000 0.536 870 K N 5.039 125.003 120.400 -0.727 0.000 2.582 870 K HA 0.141 4.462 4.320 0.003 0.000 0.259 870 K C -1.771 174.474 176.600 -0.592 0.000 0.973 870 K CA -0.558 55.431 56.287 -0.496 0.000 0.880 870 K CB 0.743 33.133 32.500 -0.184 0.000 1.310 870 K HN 0.810 nan 8.250 nan 0.000 0.443 871 D N 4.016 124.138 120.400 -0.463 0.000 2.904 871 D HA -0.251 4.391 4.640 0.003 0.000 0.231 871 D C -0.291 175.839 176.300 -0.283 0.000 1.185 871 D CA 1.573 55.417 54.000 -0.261 0.000 0.783 871 D CB -0.953 39.760 40.800 -0.144 0.000 0.961 871 D HN 1.023 nan 8.370 nan 0.000 0.409 872 N N 0.164 118.695 118.700 -0.282 0.000 2.708 872 N HA -0.318 4.423 4.740 0.003 0.000 0.251 872 N C -0.382 175.085 175.510 -0.072 0.000 1.017 872 N CA 1.276 54.334 53.050 0.014 0.000 0.742 872 N CB -0.508 38.027 38.487 0.079 0.000 0.943 872 N HN 0.736 nan 8.380 nan 0.000 0.539 873 N N -0.837 117.695 118.700 -0.279 0.000 3.179 873 N HA 0.522 5.263 4.740 0.003 0.000 0.250 873 N C -1.867 173.543 175.510 -0.166 0.000 1.507 873 N CA -0.759 52.197 53.050 -0.156 0.000 0.883 873 N CB 0.999 39.392 38.487 -0.155 0.000 1.435 873 N HN 0.012 nan 8.380 nan 0.000 0.532 874 L N 2.358 123.521 121.223 -0.100 0.000 2.365 874 L HA 0.677 5.019 4.340 0.003 0.000 0.273 874 L C -0.676 176.156 176.870 -0.063 0.000 1.000 874 L CA -0.786 54.017 54.840 -0.061 0.000 0.819 874 L CB 1.742 43.736 42.059 -0.110 0.000 1.284 874 L HN 0.536 nan 8.230 nan 0.000 0.418 875 I N -1.673 118.886 120.570 -0.018 0.000 2.994 875 I HA 0.535 4.707 4.170 0.003 0.000 0.306 875 I C -1.290 174.857 176.117 0.050 0.000 1.195 875 I CA -0.857 60.443 61.300 -0.001 0.000 1.001 875 I CB 2.437 40.426 38.000 -0.018 0.000 1.244 875 I HN 0.401 nan 8.210 nan 0.000 0.437 876 D N 4.102 124.541 120.400 0.064 0.000 2.316 876 D HA 0.336 4.978 4.640 0.003 0.000 0.245 876 D C -0.031 176.318 176.300 0.081 0.000 1.171 876 D CA -0.123 53.938 54.000 0.102 0.000 0.856 876 D CB 1.086 41.961 40.800 0.126 0.000 1.090 876 D HN 0.654 nan 8.370 nan 0.000 0.476 877 L N 3.191 124.465 121.223 0.084 0.000 2.791 877 L HA 0.078 4.419 4.340 0.003 0.000 0.239 877 L C 1.891 178.789 176.870 0.048 0.000 1.203 877 L CA -0.099 54.774 54.840 0.055 0.000 1.002 877 L CB -0.140 41.953 42.059 0.055 0.000 1.295 877 L HN 0.422 nan 8.230 nan 0.000 0.504 878 S N -0.866 114.882 115.700 0.081 0.000 2.453 878 S HA -0.014 4.457 4.470 0.003 0.000 0.231 878 S C 1.674 176.266 174.600 -0.013 0.000 1.005 878 S CA 0.880 59.139 58.200 0.098 0.000 0.949 878 S CB 0.140 63.481 63.200 0.236 0.000 0.774 878 S HN 0.554 nan 8.310 nan 0.000 0.510 879 G N -0.197 108.562 108.800 -0.069 0.000 2.195 879 G HA2 -0.249 3.712 3.960 0.003 0.000 0.224 879 G HA3 -0.249 3.712 3.960 0.003 0.000 0.224 879 G C 0.383 175.065 174.900 -0.364 0.000 0.990 879 G CA 0.205 45.163 45.100 -0.237 0.000 0.639 879 G HN 0.577 nan 8.290 nan 0.000 0.514 880 Y N 0.937 121.258 120.300 0.036 0.000 2.457 880 Y HA 0.411 4.961 4.550 0.001 0.000 0.263 880 Y C 2.025 177.950 175.900 0.041 0.000 1.164 880 Y CA 0.484 58.609 58.100 0.041 0.000 1.274 880 Y CB 0.564 39.056 38.460 0.053 0.000 1.097 880 Y HN 0.875 nan 8.280 nan 0.000 0.523 881 G N 1.538 110.411 108.800 0.122 0.000 2.372 881 G HA2 -0.154 3.808 3.960 0.003 0.000 0.297 881 G HA3 -0.154 3.808 3.960 0.003 0.000 0.297 881 G C 0.218 175.180 174.900 0.102 0.000 1.005 881 G CA 0.063 45.216 45.100 0.088 0.000 1.173 881 G HN 0.611 nan 8.290 nan 0.000 0.511 882 A N 0.423 123.318 122.820 0.124 0.000 2.386 882 A HA 0.633 4.954 4.320 0.003 0.000 0.248 882 A C 0.832 178.463 177.584 0.079 0.000 1.082 882 A CA 0.301 52.406 52.037 0.113 0.000 0.789 882 A CB 0.508 19.595 19.000 0.145 0.000 1.025 882 A HN 0.846 nan 8.150 nan 0.000 0.490 883 K N 1.791 122.230 120.400 0.065 0.000 2.312 883 K HA 0.452 4.774 4.320 0.003 0.000 0.287 883 K C -1.338 175.286 176.600 0.040 0.000 1.062 883 K CA -0.197 56.114 56.287 0.040 0.000 0.934 883 K CB 0.452 32.972 32.500 0.032 0.000 1.027 883 K HN 0.382 nan 8.250 nan 0.000 0.478 884 V N 4.886 124.807 119.914 0.012 0.000 2.409 884 V HA 0.248 4.369 4.120 0.003 0.000 0.291 884 V C -0.823 175.241 176.094 -0.050 0.000 1.020 884 V CA -0.781 61.514 62.300 -0.009 0.000 0.848 884 V CB 1.497 33.303 31.823 -0.027 0.000 0.990 884 V HN 0.822 nan 8.190 nan 0.000 0.430 885 E N 3.737 123.910 120.200 -0.045 0.000 2.145 885 E HA 0.522 4.874 4.350 0.003 0.000 0.262 885 E C -1.245 175.275 176.600 -0.134 0.000 0.883 885 E CA -0.545 55.778 56.400 -0.129 0.000 0.748 885 E CB 2.432 32.060 29.700 -0.119 0.000 1.140 885 E HN 0.436 nan 8.360 nan 0.000 0.417 886 V N 4.284 124.078 119.914 -0.199 0.000 2.370 886 V HA 0.233 4.355 4.120 0.003 0.000 0.279 886 V C -0.618 175.370 176.094 -0.177 0.000 1.029 886 V CA -0.679 61.546 62.300 -0.125 0.000 0.870 886 V CB -0.001 31.744 31.823 -0.129 0.000 0.984 886 V HN 0.568 nan 8.190 nan 0.000 0.451 887 Y N 1.953 122.220 120.300 -0.054 0.000 2.326 887 Y HA 0.239 4.790 4.550 0.002 0.000 0.324 887 Y C 1.518 177.402 175.900 -0.026 0.000 1.291 887 Y CA -0.610 57.471 58.100 -0.032 0.000 1.348 887 Y CB 0.526 38.972 38.460 -0.022 0.000 1.294 887 Y HN 0.606 nan 8.280 nan 0.000 0.525 888 D N 1.010 121.481 120.400 0.119 0.000 2.271 888 D HA -0.121 4.521 4.640 0.003 0.000 0.207 888 D C 1.987 178.321 176.300 0.057 0.000 0.983 888 D CA 1.436 55.474 54.000 0.063 0.000 0.878 888 D CB -0.352 40.479 40.800 0.050 0.000 0.920 888 D HN 0.869 nan 8.370 nan 0.000 0.479 889 G N -0.157 108.687 108.800 0.074 0.000 2.712 889 G HA2 0.022 3.984 3.960 0.003 0.000 0.212 889 G HA3 0.022 3.984 3.960 0.003 0.000 0.212 889 G C 0.563 175.477 174.900 0.022 0.000 1.142 889 G CA -0.102 45.021 45.100 0.038 0.000 0.789 889 G HN 0.150 nan 8.290 nan 0.000 0.535 890 V N 1.112 121.049 119.914 0.038 0.000 2.432 890 V HA 0.215 4.336 4.120 0.003 0.000 0.271 890 V C 0.126 176.235 176.094 0.026 0.000 1.046 890 V CA -0.849 61.467 62.300 0.026 0.000 0.945 890 V CB 1.406 33.237 31.823 0.013 0.000 0.992 890 V HN 0.355 nan 8.190 nan 0.000 0.471 891 E N 5.109 125.306 120.200 -0.005 0.000 2.289 891 E HA 0.521 4.873 4.350 0.003 0.000 0.278 891 E C -1.277 175.393 176.600 0.116 0.000 1.032 891 E CA -0.424 55.988 56.400 0.020 0.000 0.854 891 E CB 0.870 30.536 29.700 -0.056 0.000 1.046 891 E HN 0.584 nan 8.360 nan 0.000 0.409 892 L N 4.453 125.766 121.223 0.151 0.000 2.386 892 L HA 0.455 4.797 4.340 0.003 0.000 0.271 892 L C -0.643 176.281 176.870 0.090 0.000 0.993 892 L CA -0.998 53.962 54.840 0.200 0.000 0.819 892 L CB 1.854 44.073 42.059 0.267 0.000 1.294 892 L HN 0.642 nan 8.230 nan 0.000 0.414 893 N N -0.754 117.917 118.700 -0.048 0.000 2.509 893 N HA 0.246 4.988 4.740 0.003 0.000 0.280 893 N C 0.114 175.200 175.510 -0.707 0.000 1.306 893 N CA -0.845 52.054 53.050 -0.252 0.000 0.782 893 N CB 0.772 39.210 38.487 -0.082 0.000 1.493 893 N HN 0.569 nan 8.380 nan 0.000 0.498 894 D N 0.141 120.147 120.400 -0.656 0.000 2.182 894 D HA -0.233 4.408 4.640 0.003 0.000 0.201 894 D C 0.306 176.402 176.300 -0.339 0.000 0.986 894 D CA 1.258 54.878 54.000 -0.634 0.000 0.847 894 D CB -0.135 40.534 40.800 -0.220 0.000 0.942 894 D HN 0.644 nan 8.370 nan 0.000 0.467 895 K N 0.213 120.457 120.400 -0.260 0.000 2.611 895 K HA 0.005 4.327 4.320 0.003 0.000 0.193 895 K C 0.223 176.690 176.600 -0.221 0.000 1.026 895 K CA -0.073 56.093 56.287 -0.201 0.000 1.063 895 K CB -0.236 32.120 32.500 -0.240 0.000 0.839 895 K HN 0.090 nan 8.250 nan 0.000 0.505 896 N N 1.282 119.890 118.700 -0.154 0.000 2.878 896 N HA -0.179 4.563 4.740 0.003 0.000 0.247 896 N C -0.962 174.541 175.510 -0.013 0.000 1.021 896 N CA 1.018 54.050 53.050 -0.030 0.000 0.873 896 N CB -0.687 37.750 38.487 -0.083 0.000 1.128 896 N HN 0.479 nan 8.380 nan 0.000 0.571 897 Q N 0.317 120.115 119.800 -0.004 0.000 2.256 897 Q HA 0.516 4.857 4.340 0.003 0.000 0.254 897 Q C -0.150 176.155 176.000 0.508 0.000 0.916 897 Q CA -0.312 55.614 55.803 0.206 0.000 0.932 897 Q CB 0.668 29.511 28.738 0.175 0.000 1.207 897 Q HN 0.314 nan 8.270 nan 0.000 0.426 898 F N -0.786 119.449 119.950 0.474 0.000 2.563 898 F HA 0.668 5.196 4.527 0.002 0.000 0.316 898 F C -0.862 174.981 175.800 0.072 0.000 1.076 898 F CA -1.295 56.852 58.000 0.246 0.000 0.921 898 F CB 1.487 40.566 39.000 0.131 0.000 1.209 898 F HN 0.234 nan 8.300 nan 0.000 0.462 899 K N 4.351 124.672 120.400 -0.131 0.000 2.323 899 K HA 0.621 4.942 4.320 0.003 0.000 0.259 899 K C -1.823 174.675 176.600 -0.170 0.000 0.947 899 K CA -0.620 55.299 56.287 -0.613 0.000 0.819 899 K CB 1.457 32.990 32.500 -1.612 0.000 1.109 899 K HN 0.936 nan 8.250 nan 0.000 0.429 900 L N 3.985 125.183 121.223 -0.042 0.000 2.295 900 L HA 0.411 4.753 4.340 0.003 0.000 0.285 900 L C 0.551 177.439 176.870 0.029 0.000 1.035 900 L CA -0.638 54.242 54.840 0.066 0.000 0.806 900 L CB 1.614 43.779 42.059 0.178 0.000 1.214 900 L HN 0.850 nan 8.230 nan 0.000 0.426 901 T N -2.408 112.157 114.554 0.019 0.000 2.804 901 T HA 0.223 4.575 4.350 0.003 0.000 0.272 901 T C 1.017 175.732 174.700 0.024 0.000 0.986 901 T CA -0.006 62.112 62.100 0.030 0.000 0.999 901 T CB 1.466 70.328 68.868 -0.010 0.000 1.307 901 T HN 0.536 nan 8.240 nan 0.000 0.586 902 S N -0.308 115.401 115.700 0.014 0.000 2.515 902 S HA 0.099 4.570 4.470 0.003 0.000 0.231 902 S C 0.851 175.446 174.600 -0.009 0.000 0.987 902 S CA -0.293 57.902 58.200 -0.008 0.000 0.936 902 S CB -0.714 62.476 63.200 -0.017 0.000 0.766 902 S HN 0.619 nan 8.310 nan 0.000 0.528 903 S N 1.805 117.502 115.700 -0.004 0.000 2.549 903 S HA 0.513 4.985 4.470 0.003 0.000 0.283 903 S C 1.511 176.101 174.600 -0.016 0.000 1.320 903 S CA 0.032 58.227 58.200 -0.008 0.000 1.058 903 S CB 1.008 64.206 63.200 -0.003 0.000 0.882 903 S HN 0.613 nan 8.310 nan 0.000 0.498 904 A N 3.334 126.139 122.820 -0.024 0.000 1.978 904 A HA -0.170 4.151 4.320 0.003 0.000 0.220 904 A C 1.768 179.310 177.584 -0.070 0.000 1.170 904 A CA 1.710 53.720 52.037 -0.045 0.000 0.636 904 A CB -0.530 18.445 19.000 -0.042 0.000 0.810 904 A HN 0.878 nan 8.150 nan 0.000 0.448 905 N N -0.528 118.150 118.700 -0.037 0.000 2.314 905 N HA 0.040 4.781 4.740 0.003 0.000 0.200 905 N C 0.064 175.587 175.510 0.021 0.000 1.135 905 N CA 0.734 53.772 53.050 -0.020 0.000 0.835 905 N CB -0.251 38.264 38.487 0.046 0.000 0.989 905 N HN 0.144 nan 8.380 nan 0.000 0.478 906 S N 0.520 116.219 115.700 -0.001 0.000 3.170 906 S HA 0.306 4.777 4.470 0.003 0.000 0.257 906 S C -0.556 174.058 174.600 0.024 0.000 1.284 906 S CA -0.744 57.472 58.200 0.026 0.000 0.973 906 S CB -0.462 62.749 63.200 0.018 0.000 1.330 906 S HN 0.516 nan 8.310 nan 0.000 0.493 907 K N 2.281 122.704 120.400 0.038 0.000 2.579 907 K HA 0.620 4.941 4.320 0.003 0.000 0.284 907 K C -1.615 175.063 176.600 0.130 0.000 0.990 907 K CA -1.048 55.263 56.287 0.039 0.000 0.880 907 K CB 1.034 33.476 32.500 -0.098 0.000 1.488 907 K HN 0.312 nan 8.250 nan 0.000 0.425 908 I N 0.889 121.539 120.570 0.133 0.000 2.533 908 I HA 0.419 4.590 4.170 0.003 0.000 0.290 908 I C -0.826 175.416 176.117 0.209 0.000 1.056 908 I CA -0.841 60.512 61.300 0.089 0.000 1.057 908 I CB 2.211 40.025 38.000 -0.311 0.000 1.240 908 I HN 0.533 nan 8.210 nan 0.000 0.423 909 R N 5.781 126.408 120.500 0.212 0.000 2.437 909 R HA 0.737 5.078 4.340 0.003 0.000 0.310 909 R C -1.862 174.523 176.300 0.142 0.000 0.955 909 R CA -0.474 55.740 56.100 0.190 0.000 0.851 909 R CB 1.935 32.364 30.300 0.214 0.000 1.161 909 R HN 0.464 nan 8.270 nan 0.000 0.446 910 V N 3.720 123.731 119.914 0.162 0.000 2.448 910 V HA 0.347 4.469 4.120 0.003 0.000 0.295 910 V C -0.008 176.154 176.094 0.113 0.000 1.025 910 V CA -0.719 61.670 62.300 0.148 0.000 0.859 910 V CB 1.869 33.838 31.823 0.243 0.000 0.988 910 V HN 0.917 nan 8.190 nan 0.000 0.431 911 T N 2.250 116.856 114.554 0.087 0.000 2.797 911 T HA 0.747 5.098 4.350 0.003 0.000 0.279 911 T C -0.543 174.199 174.700 0.069 0.000 0.991 911 T CA -0.724 61.413 62.100 0.062 0.000 0.979 911 T CB 1.774 70.669 68.868 0.045 0.000 0.943 911 T HN 0.610 nan 8.240 nan 0.000 0.444 912 Q N 1.476 121.309 119.800 0.055 0.000 2.385 912 Q HA 0.428 4.769 4.340 0.003 0.000 0.262 912 Q C -0.243 175.775 176.000 0.031 0.000 1.050 912 Q CA -1.345 54.491 55.803 0.055 0.000 0.903 912 Q CB 0.883 29.650 28.738 0.050 0.000 1.325 912 Q HN 0.601 nan 8.270 nan 0.000 0.485 913 N N 2.168 120.884 118.700 0.028 0.000 2.357 913 N HA -0.078 4.664 4.740 0.003 0.000 0.257 913 N C -0.457 175.056 175.510 0.004 0.000 1.250 913 N CA 0.382 53.445 53.050 0.021 0.000 0.862 913 N CB 0.410 38.910 38.487 0.022 0.000 1.066 913 N HN 0.407 nan 8.380 nan 0.000 0.468 914 Q N 1.873 121.679 119.800 0.010 0.000 2.340 914 Q HA 0.154 4.495 4.340 0.003 0.000 0.249 914 Q C -0.879 175.126 176.000 0.010 0.000 0.957 914 Q CA -0.392 55.413 55.803 0.003 0.000 0.882 914 Q CB 0.494 29.235 28.738 0.004 0.000 1.235 914 Q HN 0.562 nan 8.270 nan 0.000 0.439 915 N N 3.979 122.683 118.700 0.006 0.000 2.476 915 N HA 0.157 4.898 4.740 0.003 0.000 0.257 915 N C -0.336 175.183 175.510 0.016 0.000 0.970 915 N CA -0.502 52.565 53.050 0.029 0.000 0.938 915 N CB 1.005 39.508 38.487 0.027 0.000 1.144 915 N HN 0.659 nan 8.380 nan 0.000 0.500 916 I N 2.378 122.958 120.570 0.016 0.000 2.260 916 I HA 0.172 4.343 4.170 0.003 0.000 0.237 916 I C 1.427 177.484 176.117 -0.100 0.000 1.075 916 I CA 1.025 62.306 61.300 -0.031 0.000 1.376 916 I CB -0.107 37.876 38.000 -0.029 0.000 1.107 916 I HN 0.592 nan 8.210 nan 0.000 0.420 917 I N -0.942 119.509 120.570 -0.199 0.000 2.400 917 I HA -0.070 4.102 4.170 0.003 0.000 0.248 917 I C 0.412 176.196 176.117 -0.556 0.000 1.109 917 I CA 0.502 61.503 61.300 -0.498 0.000 1.425 917 I CB -0.224 37.212 38.000 -0.941 0.000 1.094 917 I HN 0.010 nan 8.210 nan 0.000 0.425 918 F N 0.103 120.044 119.950 -0.015 0.000 2.611 918 F HA 0.390 4.920 4.527 0.005 0.000 0.374 918 F C -0.086 175.697 175.800 -0.027 0.000 1.110 918 F CA -1.200 56.789 58.000 -0.017 0.000 1.090 918 F CB 0.055 39.046 39.000 -0.014 0.000 1.388 918 F HN -0.233 nan 8.300 nan 0.000 0.501 919 N N -0.877 117.939 118.700 0.194 0.000 2.443 919 N HA 0.437 5.179 4.740 0.003 0.000 0.295 919 N C -1.397 174.134 175.510 0.036 0.000 1.076 919 N CA -0.623 52.470 53.050 0.071 0.000 0.919 919 N CB 1.547 40.057 38.487 0.037 0.000 1.176 919 N HN 0.373 nan 8.380 nan 0.000 0.487 920 S N 0.980 116.665 115.700 -0.025 0.000 2.452 920 S HA 0.530 5.002 4.470 0.003 0.000 0.284 920 S C -0.334 174.170 174.600 -0.160 0.000 1.171 920 S CA -0.629 57.515 58.200 -0.094 0.000 1.064 920 S CB 0.372 63.498 63.200 -0.123 0.000 0.967 920 S HN 0.234 nan 8.310 nan 0.000 0.484 921 V N 3.517 123.335 119.914 -0.159 0.000 3.141 921 V HA 0.585 4.706 4.120 0.003 0.000 0.312 921 V C -0.884 175.122 176.094 -0.148 0.000 1.157 921 V CA -0.887 61.321 62.300 -0.155 0.000 1.041 921 V CB 1.983 33.786 31.823 -0.035 0.000 1.071 921 V HN 0.818 nan 8.190 nan 0.000 0.441 922 F N 0.613 120.515 119.950 -0.080 0.000 2.492 922 F HA 0.464 4.993 4.527 0.003 0.000 0.327 922 F C 0.365 176.187 175.800 0.037 0.000 1.079 922 F CA -0.523 57.431 58.000 -0.077 0.000 0.967 922 F CB 1.943 40.735 39.000 -0.348 0.000 1.169 922 F HN 0.321 nan 8.300 nan 0.000 0.472 923 L N 0.647 122.067 121.223 0.329 0.000 2.416 923 L HA 0.205 4.547 4.340 0.003 0.000 0.188 923 L C -0.322 176.696 176.870 0.247 0.000 1.145 923 L CA 1.127 56.100 54.840 0.222 0.000 0.826 923 L CB -0.157 41.991 42.059 0.149 0.000 1.064 923 L HN 0.391 nan 8.230 nan 0.000 0.490 924 D N -0.730 119.785 120.400 0.191 0.000 2.375 924 D HA 0.561 5.203 4.640 0.003 0.000 0.247 924 D C -0.910 175.444 176.300 0.090 0.000 1.061 924 D CA -0.077 54.003 54.000 0.134 0.000 0.834 924 D CB 1.733 42.559 40.800 0.043 0.000 1.247 924 D HN -0.003 nan 8.370 nan 0.000 0.489 925 F N -1.276 118.509 119.950 -0.276 0.000 2.693 925 F HA 0.761 5.289 4.527 0.001 0.000 0.309 925 F C -1.258 174.346 175.800 -0.326 0.000 1.129 925 F CA -0.773 56.934 58.000 -0.489 0.000 0.948 925 F CB 1.396 39.713 39.000 -1.138 0.000 1.315 925 F HN 0.108 nan 8.300 nan 0.000 0.447 926 S N 1.034 116.530 115.700 -0.339 0.000 2.569 926 S HA 0.814 5.286 4.470 0.003 0.000 0.280 926 S C -1.523 172.918 174.600 -0.266 0.000 1.111 926 S CA -0.810 57.126 58.200 -0.440 0.000 0.887 926 S CB 2.210 65.201 63.200 -0.350 0.000 1.095 926 S HN 0.640 nan 8.310 nan 0.000 0.476 927 V N 1.744 121.395 119.914 -0.437 0.000 2.531 927 V HA 0.726 4.848 4.120 0.003 0.000 0.301 927 V C -0.331 175.616 176.094 -0.245 0.000 1.034 927 V CA -0.468 61.637 62.300 -0.324 0.000 0.865 927 V CB 1.802 33.345 31.823 -0.466 0.000 0.995 927 V HN 0.815 nan 8.190 nan 0.000 0.424 928 S N 4.717 120.363 115.700 -0.091 0.000 2.536 928 S HA 1.002 5.474 4.470 0.003 0.000 0.298 928 S C -1.099 173.659 174.600 0.263 0.000 1.083 928 S CA -0.439 57.732 58.200 -0.049 0.000 0.995 928 S CB 1.337 64.620 63.200 0.139 0.000 1.058 928 S HN 1.005 nan 8.310 nan 0.000 0.488 929 F N 0.174 120.193 119.950 0.114 0.000 2.843 929 F HA 0.620 5.148 4.527 0.003 0.000 0.323 929 F C -2.422 173.634 175.800 0.426 0.000 1.142 929 F CA -1.555 56.701 58.000 0.426 0.000 0.925 929 F CB 0.100 39.405 39.000 0.507 0.000 1.277 929 F HN 0.539 nan 8.300 nan 0.000 0.446 930 W N 3.024 124.723 121.300 0.665 0.000 2.578 930 W HA 0.845 5.506 4.660 0.002 0.000 0.346 930 W C -0.732 176.200 176.519 0.689 0.000 1.075 930 W CA -0.923 56.769 57.345 0.578 0.000 1.233 930 W CB 1.797 31.559 29.460 0.503 0.000 1.358 930 W HN 0.753 nan 8.180 nan 0.000 0.574 931 I N 1.378 122.319 120.570 0.617 0.000 3.006 931 I HA 0.538 4.709 4.170 0.003 0.000 0.306 931 I C -1.253 174.739 176.117 -0.209 0.000 1.250 931 I CA -1.398 60.066 61.300 0.273 0.000 0.996 931 I CB 2.165 40.290 38.000 0.208 0.000 1.261 931 I HN 0.457 nan 8.210 nan 0.000 0.442 932 R N 6.651 126.926 120.500 -0.375 0.000 2.518 932 R HA 0.582 4.924 4.340 0.003 0.000 0.296 932 R C -1.978 174.269 176.300 -0.089 0.000 1.080 932 R CA -0.446 55.400 56.100 -0.425 0.000 0.922 932 R CB 1.188 30.850 30.300 -1.064 0.000 1.184 932 R HN 0.545 nan 8.270 nan 0.000 0.445 933 I N 6.754 127.351 120.570 0.045 0.000 2.321 933 I HA 0.381 4.552 4.170 0.003 0.000 0.291 933 I C -1.814 174.345 176.117 0.069 0.000 0.998 933 I CA -2.370 59.006 61.300 0.126 0.000 1.227 933 I CB 1.627 39.818 38.000 0.319 0.000 1.368 933 I HN 0.404 nan 8.210 nan 0.000 0.466 934 P HA 0.024 nan 4.420 nan 0.000 0.272 934 P C -0.658 176.579 177.300 -0.105 0.000 1.223 934 P CA -0.437 62.544 63.100 -0.199 0.000 0.784 934 P CB 0.942 32.270 31.700 -0.619 0.000 0.923 935 K N 2.273 122.549 120.400 -0.206 0.000 2.380 935 K HA 0.013 4.335 4.320 0.003 0.000 0.267 935 K C 0.069 176.301 176.600 -0.613 0.000 0.990 935 K CA -0.288 55.697 56.287 -0.504 0.000 0.946 935 K CB -0.026 31.937 32.500 -0.895 0.000 0.937 935 K HN 0.387 nan 8.250 nan 0.000 0.491 936 Y N 0.764 120.739 120.300 -0.543 0.000 2.426 936 Y HA 0.204 4.755 4.550 0.002 0.000 0.344 936 Y C -0.103 175.509 175.900 -0.480 0.000 1.256 936 Y CA -0.764 56.892 58.100 -0.740 0.000 1.451 936 Y CB 0.236 37.801 38.460 -1.492 0.000 1.342 936 Y HN 0.195 nan 8.280 nan 0.000 0.600 937 K N 2.269 122.589 120.400 -0.133 0.000 2.234 937 K HA 0.130 4.452 4.320 0.003 0.000 0.282 937 K C 0.305 176.916 176.600 0.018 0.000 1.039 937 K CA -0.401 55.832 56.287 -0.090 0.000 0.928 937 K CB 0.971 33.442 32.500 -0.049 0.000 1.039 937 K HN 0.754 nan 8.250 nan 0.000 0.470 938 N N 1.825 120.548 118.700 0.038 0.000 2.205 938 N HA -0.173 4.569 4.740 0.003 0.000 0.186 938 N C 0.727 176.286 175.510 0.082 0.000 1.015 938 N CA 1.285 54.401 53.050 0.110 0.000 0.862 938 N CB 0.090 38.697 38.487 0.200 0.000 0.986 938 N HN 0.624 nan 8.380 nan 0.000 0.429 939 D N -1.324 119.109 120.400 0.056 0.000 2.340 939 D HA 0.049 4.691 4.640 0.003 0.000 0.220 939 D C 0.804 177.121 176.300 0.028 0.000 1.039 939 D CA 0.232 54.261 54.000 0.047 0.000 0.866 939 D CB -0.225 40.600 40.800 0.041 0.000 0.913 939 D HN 0.163 nan 8.370 nan 0.000 0.523 940 G N 0.790 109.598 108.800 0.014 0.000 4.379 940 G HA2 0.199 4.161 3.960 0.003 0.000 0.290 940 G HA3 0.199 4.161 3.960 0.003 0.000 0.290 940 G C 1.084 175.983 174.900 -0.001 0.000 1.065 940 G CA -0.299 44.808 45.100 0.012 0.000 0.833 940 G HN 0.004 nan 8.290 nan 0.000 0.512 941 I N 0.423 120.967 120.570 -0.044 0.000 2.163 941 I HA -0.187 3.985 4.170 0.003 0.000 0.243 941 I C 2.638 178.666 176.117 -0.149 0.000 1.085 941 I CA 1.204 62.418 61.300 -0.143 0.000 1.347 941 I CB -0.752 37.147 38.000 -0.169 0.000 1.044 941 I HN 0.220 nan 8.210 nan 0.000 0.408 942 Q N 0.810 120.571 119.800 -0.066 0.000 2.030 942 Q HA -0.216 4.126 4.340 0.003 0.000 0.204 942 Q C 2.048 178.072 176.000 0.040 0.000 0.986 942 Q CA 1.592 57.395 55.803 -0.000 0.000 0.843 942 Q CB -0.840 27.965 28.738 0.112 0.000 0.904 942 Q HN 0.520 nan 8.270 nan 0.000 0.420 943 N N 0.091 118.821 118.700 0.050 0.000 2.166 943 N HA -0.157 4.585 4.740 0.003 0.000 0.186 943 N C 1.532 177.066 175.510 0.039 0.000 1.019 943 N CA 0.992 54.074 53.050 0.053 0.000 0.856 943 N CB -0.503 38.006 38.487 0.036 0.000 0.993 943 N HN 0.338 nan 8.380 nan 0.000 0.426 944 Y N 0.754 120.989 120.300 -0.107 0.000 2.114 944 Y HA -0.125 4.426 4.550 0.003 0.000 0.284 944 Y C 1.890 177.681 175.900 -0.181 0.000 1.143 944 Y CA 1.397 59.434 58.100 -0.106 0.000 1.135 944 Y CB -0.304 38.100 38.460 -0.093 0.000 0.980 944 Y HN -0.066 nan 8.280 nan 0.000 0.499 945 I N -0.171 120.253 120.570 -0.244 0.000 2.315 945 I HA -0.264 3.907 4.170 0.003 0.000 0.248 945 I C 1.902 177.719 176.117 -0.500 0.000 1.117 945 I CA 1.823 62.812 61.300 -0.519 0.000 1.404 945 I CB -0.512 36.961 38.000 -0.879 0.000 1.071 945 I HN 0.286 nan 8.210 nan 0.000 0.419 946 H N -1.065 117.922 119.070 -0.139 0.000 2.486 946 H HA 0.211 4.769 4.556 0.003 0.000 0.287 946 H C 0.234 175.522 175.328 -0.067 0.000 1.010 946 H CA -0.001 55.992 56.048 -0.092 0.000 1.324 946 H CB 0.105 29.831 29.762 -0.060 0.000 1.446 946 H HN 0.137 nan 8.280 nan 0.000 0.537 947 N N 2.208 120.939 118.700 0.052 0.000 2.415 947 N HA 0.020 4.761 4.740 0.003 0.000 0.246 947 N C -0.456 175.107 175.510 0.087 0.000 1.078 947 N CA -0.028 53.055 53.050 0.056 0.000 0.942 947 N CB 1.087 39.599 38.487 0.043 0.000 1.140 947 N HN 0.472 nan 8.380 nan 0.000 0.501 948 E N 2.486 122.724 120.200 0.062 0.000 2.301 948 E HA 0.197 4.549 4.350 0.003 0.000 0.275 948 E C -1.091 175.597 176.600 0.147 0.000 1.030 948 E CA -0.583 55.843 56.400 0.045 0.000 0.852 948 E CB 0.566 30.245 29.700 -0.034 0.000 1.060 948 E HN 0.537 nan 8.360 nan 0.000 0.401 949 Y N -0.135 120.141 120.300 -0.040 0.000 2.457 949 Y HA 0.438 4.990 4.550 0.003 0.000 0.343 949 Y C -0.589 175.307 175.900 -0.006 0.000 0.994 949 Y CA -1.257 56.829 58.100 -0.023 0.000 1.031 949 Y CB 1.159 39.607 38.460 -0.020 0.000 1.246 949 Y HN 0.145 nan 8.280 nan 0.000 0.449 950 T N 4.531 119.109 114.554 0.040 0.000 2.907 950 T HA 0.264 4.615 4.350 0.003 0.000 0.298 950 T C 1.266 175.981 174.700 0.024 0.000 1.017 950 T CA -0.147 61.940 62.100 -0.022 0.000 1.118 950 T CB 0.674 69.531 68.868 -0.018 0.000 0.948 950 T HN 0.799 nan 8.240 nan 0.000 0.531 951 I N -0.314 120.251 120.570 -0.010 0.000 3.718 951 I HA 0.482 4.653 4.170 0.003 0.000 0.297 951 I C 0.033 176.139 176.117 -0.018 0.000 1.220 951 I CA 0.156 61.484 61.300 0.048 0.000 1.381 951 I CB 0.452 38.492 38.000 0.066 0.000 1.238 951 I HN 0.355 nan 8.210 nan 0.000 0.448 952 I N 2.264 122.787 120.570 -0.078 0.000 2.534 952 I HA 0.369 4.541 4.170 0.003 0.000 0.288 952 I C -1.325 174.667 176.117 -0.208 0.000 1.077 952 I CA -0.431 60.718 61.300 -0.251 0.000 1.051 952 I CB 2.066 39.863 38.000 -0.339 0.000 1.234 952 I HN 0.165 nan 8.210 nan 0.000 0.425 953 N N 5.346 123.837 118.700 -0.348 0.000 2.295 953 N HA 0.419 5.160 4.740 0.003 0.000 0.293 953 N C -1.883 173.270 175.510 -0.595 0.000 1.040 953 N CA -0.263 52.545 53.050 -0.403 0.000 0.840 953 N CB 2.714 41.054 38.487 -0.245 0.000 1.468 953 N HN 0.699 nan 8.380 nan 0.000 0.478 954 C N 6.675 125.438 119.300 -0.895 0.000 2.534 954 C HA 0.644 5.105 4.460 0.003 0.000 0.309 954 C C -0.994 173.619 174.990 -0.628 0.000 1.072 954 C CA -0.351 58.142 59.018 -0.874 0.000 1.441 954 C CB -1.158 25.718 27.740 -1.440 0.000 1.906 954 C HN 0.727 nan 8.230 nan 0.000 0.429 955 M N 4.463 123.847 119.600 -0.361 0.000 2.531 955 M HA 0.539 5.021 4.480 0.003 0.000 0.286 955 M C -1.126 175.076 176.300 -0.163 0.000 1.232 955 M CA -0.553 54.602 55.300 -0.242 0.000 0.877 955 M CB 2.625 35.104 32.600 -0.200 0.000 1.726 955 M HN 0.467 nan 8.290 nan 0.000 0.463 956 K N 1.720 122.045 120.400 -0.125 0.000 2.535 956 K HA 0.360 4.681 4.320 0.003 0.000 0.250 956 K C -0.894 175.663 176.600 -0.071 0.000 0.948 956 K CA -0.348 55.885 56.287 -0.091 0.000 0.796 956 K CB 1.090 33.538 32.500 -0.085 0.000 1.216 956 K HN 0.855 nan 8.250 nan 0.000 0.432 957 N N 3.505 122.170 118.700 -0.059 0.000 2.735 957 N HA -0.202 4.540 4.740 0.003 0.000 0.248 957 N C -0.997 174.485 175.510 -0.046 0.000 1.083 957 N CA 1.199 54.221 53.050 -0.046 0.000 0.703 957 N CB -1.136 37.329 38.487 -0.037 0.000 1.005 957 N HN 0.927 nan 8.380 nan 0.000 0.550 958 N N -1.943 116.723 118.700 -0.057 0.000 2.725 958 N HA -0.196 4.545 4.740 0.003 0.000 0.249 958 N C -0.535 174.943 175.510 -0.054 0.000 1.103 958 N CA 1.511 54.527 53.050 -0.057 0.000 0.707 958 N CB -1.143 37.319 38.487 -0.043 0.000 1.043 958 N HN 0.630 nan 8.380 nan 0.000 0.553 959 S N -1.604 114.058 115.700 -0.063 0.000 2.549 959 S HA 0.856 5.328 4.470 0.003 0.000 0.280 959 S C 0.313 174.866 174.600 -0.078 0.000 1.109 959 S CA 0.520 58.689 58.200 -0.051 0.000 0.905 959 S CB 2.243 65.425 63.200 -0.031 0.000 1.081 959 S HN 0.879 nan 8.310 nan 0.000 0.477 960 G N 2.707 111.475 108.800 -0.053 0.000 2.347 960 G HA2 0.191 4.153 3.960 0.003 0.000 0.224 960 G HA3 0.191 4.153 3.960 0.003 0.000 0.224 960 G C -1.617 173.281 174.900 -0.002 0.000 1.318 960 G CA -0.096 44.958 45.100 -0.077 0.000 1.016 960 G HN 1.172 nan 8.290 nan 0.000 0.469 961 W N 0.480 121.723 121.300 -0.095 0.000 3.032 961 W HA 0.846 5.509 4.660 0.004 0.000 0.341 961 W C -0.798 175.574 176.519 -0.244 0.000 1.202 961 W CA -0.671 56.509 57.345 -0.275 0.000 1.132 961 W CB 1.475 30.708 29.460 -0.379 0.000 1.465 961 W HN 1.116 nan 8.180 nan 0.000 0.576 962 K N 0.232 120.663 120.400 0.053 0.000 2.597 962 K HA 0.732 5.054 4.320 0.003 0.000 0.282 962 K C -2.136 174.604 176.600 0.232 0.000 0.975 962 K CA -0.904 55.448 56.287 0.108 0.000 0.867 962 K CB 2.200 34.653 32.500 -0.078 0.000 1.465 962 K HN 0.547 nan 8.250 nan 0.000 0.417 963 I N 2.276 123.025 120.570 0.298 0.000 2.436 963 I HA 0.335 4.507 4.170 0.003 0.000 0.289 963 I C -0.657 175.530 176.117 0.117 0.000 1.010 963 I CA -0.532 60.957 61.300 0.314 0.000 1.098 963 I CB 2.131 40.375 38.000 0.406 0.000 1.266 963 I HN 0.904 nan 8.210 nan 0.000 0.434 964 S N 6.531 122.269 115.700 0.064 0.000 2.667 964 S HA 0.796 5.267 4.470 0.003 0.000 0.292 964 S C -0.835 173.665 174.600 -0.165 0.000 1.126 964 S CA -0.822 57.320 58.200 -0.097 0.000 0.881 964 S CB 2.365 65.507 63.200 -0.096 0.000 1.132 964 S HN 0.444 nan 8.310 nan 0.000 0.492 965 I N 0.729 121.024 120.570 -0.459 0.000 2.582 965 I HA 0.530 4.702 4.170 0.003 0.000 0.292 965 I C -0.375 175.459 176.117 -0.471 0.000 1.066 965 I CA -0.559 60.457 61.300 -0.473 0.000 1.053 965 I CB 2.314 39.948 38.000 -0.610 0.000 1.241 965 I HN 0.671 nan 8.210 nan 0.000 0.421 966 R N 4.408 124.732 120.500 -0.292 0.000 2.467 966 R HA 0.512 4.854 4.340 0.003 0.000 0.299 966 R C 0.431 176.489 176.300 -0.404 0.000 1.120 966 R CA 0.357 56.303 56.100 -0.257 0.000 0.940 966 R CB 1.182 31.347 30.300 -0.226 0.000 1.161 966 R HN 0.950 nan 8.270 nan 0.000 0.506 967 G N 3.869 112.310 108.800 -0.597 0.000 2.602 967 G HA2 -0.454 3.508 3.960 0.003 0.000 0.310 967 G HA3 -0.454 3.508 3.960 0.003 0.000 0.310 967 G C 0.297 174.727 174.900 -0.782 0.000 1.183 967 G CA 0.565 44.816 45.100 -1.416 0.000 0.979 967 G HN 0.740 nan 8.290 nan 0.000 0.545 968 N N 1.291 119.686 118.700 -0.507 0.000 2.313 968 N HA 0.094 4.836 4.740 0.003 0.000 0.207 968 N C 0.682 175.717 175.510 -0.790 0.000 1.141 968 N CA 0.637 53.326 53.050 -0.602 0.000 0.830 968 N CB 0.372 38.558 38.487 -0.502 0.000 1.008 968 N HN 0.827 nan 8.380 nan 0.000 0.481 969 R N 0.754 120.991 120.500 -0.439 0.000 2.437 969 R HA 0.486 4.828 4.340 0.003 0.000 0.310 969 R C -1.017 175.232 176.300 -0.085 0.000 0.955 969 R CA -0.566 55.355 56.100 -0.297 0.000 0.851 969 R CB 1.059 31.141 30.300 -0.364 0.000 1.161 969 R HN 0.009 nan 8.270 nan 0.000 0.446 970 I N 6.337 126.978 120.570 0.118 0.000 2.359 970 I HA 0.352 4.523 4.170 0.003 0.000 0.294 970 I C -0.157 176.123 176.117 0.271 0.000 0.987 970 I CA -0.766 60.677 61.300 0.237 0.000 1.225 970 I CB 1.616 39.877 38.000 0.434 0.000 1.366 970 I HN 0.477 nan 8.210 nan 0.000 0.466 971 I N 5.352 126.055 120.570 0.222 0.000 2.509 971 I HA 0.321 4.492 4.170 0.003 0.000 0.293 971 I C -0.849 175.477 176.117 0.349 0.000 1.020 971 I CA -0.605 60.856 61.300 0.268 0.000 1.088 971 I CB 2.183 40.260 38.000 0.129 0.000 1.267 971 I HN 0.644 nan 8.210 nan 0.000 0.430 972 W N 6.476 127.880 121.300 0.174 0.000 2.429 972 W HA 0.542 5.204 4.660 0.003 0.000 0.314 972 W C -1.489 175.129 176.519 0.165 0.000 1.062 972 W CA -0.376 57.070 57.345 0.169 0.000 1.211 972 W CB 1.934 31.460 29.460 0.110 0.000 1.305 972 W HN 0.422 nan 8.180 nan 0.000 0.476 973 T N 7.000 121.317 114.554 -0.395 0.000 2.848 973 T HA 0.493 4.845 4.350 0.003 0.000 0.285 973 T C -0.373 174.052 174.700 -0.459 0.000 0.995 973 T CA -0.520 61.391 62.100 -0.315 0.000 0.970 973 T CB 1.608 70.403 68.868 -0.122 0.000 0.976 973 T HN 0.292 nan 8.240 nan 0.000 0.441 974 L N 3.807 124.882 121.223 -0.248 0.000 2.317 974 L HA 0.672 5.014 4.340 0.003 0.000 0.281 974 L C -0.623 176.239 176.870 -0.013 0.000 1.024 974 L CA -0.939 53.852 54.840 -0.081 0.000 0.810 974 L CB 1.524 43.627 42.059 0.075 0.000 1.240 974 L HN 0.511 nan 8.230 nan 0.000 0.427 975 I N 2.234 122.811 120.570 0.011 0.000 2.468 975 I HA 0.186 4.358 4.170 0.003 0.000 0.285 975 I C -0.732 175.399 176.117 0.024 0.000 1.039 975 I CA -0.781 60.522 61.300 0.005 0.000 1.074 975 I CB 1.918 39.902 38.000 -0.027 0.000 1.228 975 I HN 0.599 nan 8.210 nan 0.000 0.436 976 D N 6.190 126.611 120.400 0.033 0.000 2.433 976 D HA 0.101 4.743 4.640 0.003 0.000 0.255 976 D C 1.415 177.725 176.300 0.017 0.000 1.226 976 D CA -0.497 53.525 54.000 0.037 0.000 1.015 976 D CB 0.776 41.605 40.800 0.048 0.000 1.091 976 D HN 0.615 nan 8.370 nan 0.000 0.527 977 I N -3.070 117.511 120.570 0.017 0.000 2.657 977 I HA -0.184 3.988 4.170 0.003 0.000 0.261 977 I C 0.956 177.076 176.117 0.005 0.000 1.212 977 I CA 1.208 62.512 61.300 0.007 0.000 1.453 977 I CB -0.706 37.301 38.000 0.012 0.000 1.092 977 I HN 0.249 nan 8.210 nan 0.000 0.452 978 N N 0.537 119.243 118.700 0.009 0.000 2.254 978 N HA 0.200 4.942 4.740 0.003 0.000 0.190 978 N C 1.206 176.717 175.510 0.003 0.000 1.107 978 N CA 0.528 53.582 53.050 0.007 0.000 0.869 978 N CB 0.664 39.158 38.487 0.012 0.000 0.983 978 N HN 0.612 nan 8.380 nan 0.000 0.487 979 G N 1.617 110.417 108.800 0.001 0.000 2.175 979 G HA2 -0.295 3.667 3.960 0.003 0.000 0.244 979 G HA3 -0.295 3.667 3.960 0.003 0.000 0.244 979 G C 0.147 175.048 174.900 0.001 0.000 0.982 979 G CA -0.077 45.021 45.100 -0.004 0.000 0.641 979 G HN 0.272 nan 8.290 nan 0.000 0.527 980 K N 1.617 122.023 120.400 0.010 0.000 2.412 980 K HA 0.531 4.853 4.320 0.003 0.000 0.281 980 K C 0.346 176.956 176.600 0.017 0.000 1.027 980 K CA 0.629 56.925 56.287 0.016 0.000 0.989 980 K CB 0.338 32.851 32.500 0.023 0.000 0.935 980 K HN 0.097 nan 8.250 nan 0.000 0.475 981 T N 4.732 119.295 114.554 0.016 0.000 2.918 981 T HA 0.535 4.886 4.350 0.003 0.000 0.286 981 T C -1.022 173.696 174.700 0.029 0.000 1.026 981 T CA -0.896 61.213 62.100 0.015 0.000 1.031 981 T CB 1.034 69.906 68.868 0.005 0.000 1.046 981 T HN 0.356 nan 8.240 nan 0.000 0.479 982 K N 1.456 121.875 120.400 0.032 0.000 2.543 982 K HA 0.589 4.910 4.320 0.003 0.000 0.255 982 K C -1.368 175.268 176.600 0.059 0.000 0.934 982 K CA -0.645 55.675 56.287 0.054 0.000 0.810 982 K CB 2.411 34.954 32.500 0.071 0.000 1.315 982 K HN 0.577 nan 8.250 nan 0.000 0.433 983 S N 0.501 116.257 115.700 0.094 0.000 2.548 983 S HA 0.607 5.079 4.470 0.003 0.000 0.286 983 S C -1.354 173.360 174.600 0.189 0.000 1.098 983 S CA -0.760 57.525 58.200 0.142 0.000 0.930 983 S CB 2.567 65.855 63.200 0.146 0.000 1.070 983 S HN 0.338 nan 8.310 nan 0.000 0.480 984 V N 4.376 124.440 119.914 0.249 0.000 2.709 984 V HA 0.922 5.044 4.120 0.003 0.000 0.308 984 V C -1.824 174.406 176.094 0.227 0.000 1.062 984 V CA -0.779 61.605 62.300 0.139 0.000 0.901 984 V CB 1.314 33.200 31.823 0.106 0.000 1.003 984 V HN 0.831 nan 8.190 nan 0.000 0.425 985 F N 4.891 124.901 119.950 0.099 0.000 2.643 985 F HA 0.837 5.366 4.527 0.004 0.000 0.314 985 F C -1.804 174.071 175.800 0.125 0.000 1.096 985 F CA -1.677 56.388 58.000 0.110 0.000 0.953 985 F CB 1.725 40.755 39.000 0.050 0.000 1.345 985 F HN 0.504 nan 8.300 nan 0.000 0.468 986 F N 1.875 121.980 119.950 0.259 0.000 2.507 986 F HA 0.568 5.097 4.527 0.003 0.000 0.328 986 F C -1.020 174.883 175.800 0.171 0.000 1.136 986 F CA -0.663 57.401 58.000 0.106 0.000 0.930 986 F CB 1.548 40.554 39.000 0.010 0.000 1.166 986 F HN 0.796 nan 8.300 nan 0.000 0.436 987 E N 6.159 126.013 120.200 -0.576 0.000 2.210 987 E HA 0.345 4.696 4.350 0.003 0.000 0.266 987 E C -1.774 174.286 176.600 -0.899 0.000 0.883 987 E CA -0.851 55.173 56.400 -0.628 0.000 0.761 987 E CB 1.388 30.945 29.700 -0.238 0.000 1.156 987 E HN 0.603 nan 8.360 nan 0.000 0.412 988 Y N 1.996 121.905 120.300 -0.652 0.000 2.387 988 Y HA 0.472 5.024 4.550 0.002 0.000 0.336 988 Y C -0.004 175.833 175.900 -0.105 0.000 1.067 988 Y CA -1.635 56.188 58.100 -0.461 0.000 1.114 988 Y CB 0.434 38.654 38.460 -0.399 0.000 1.208 988 Y HN 0.350 nan 8.280 nan 0.000 0.458 989 N N 2.967 121.757 118.700 0.150 0.000 2.458 989 N HA 0.026 4.768 4.740 0.003 0.000 0.258 989 N C 0.111 175.789 175.510 0.281 0.000 1.219 989 N CA -0.034 53.112 53.050 0.160 0.000 0.902 989 N CB 0.360 38.938 38.487 0.153 0.000 1.076 989 N HN 0.864 nan 8.380 nan 0.000 0.455 990 I N -0.130 120.569 120.570 0.215 0.000 3.877 990 I HA 0.393 4.564 4.170 0.003 0.000 0.332 990 I C 0.298 176.537 176.117 0.203 0.000 1.525 990 I CA -0.245 61.222 61.300 0.279 0.000 1.146 990 I CB 0.232 38.352 38.000 0.200 0.000 1.137 990 I HN 0.303 nan 8.210 nan 0.000 0.424 991 R N 1.244 121.852 120.500 0.180 0.000 2.629 991 R HA 0.336 4.677 4.340 0.003 0.000 0.408 991 R C -0.230 176.172 176.300 0.170 0.000 1.057 991 R CA -0.144 56.043 56.100 0.145 0.000 1.119 991 R CB 0.831 31.185 30.300 0.090 0.000 1.403 991 R HN 0.420 nan 8.270 nan 0.000 0.576 992 E N 0.509 120.844 120.200 0.226 0.000 2.204 992 E HA 0.080 4.432 4.350 0.003 0.000 0.276 992 E C 0.035 176.792 176.600 0.261 0.000 0.974 992 E CA -0.575 55.956 56.400 0.219 0.000 0.815 992 E CB 1.168 31.003 29.700 0.224 0.000 1.119 992 E HN -0.022 nan 8.360 nan 0.000 0.393 993 D N 2.597 123.128 120.400 0.217 0.000 2.103 993 D HA -0.131 4.510 4.640 0.003 0.000 0.190 993 D C 0.429 176.895 176.300 0.276 0.000 0.997 993 D CA 1.436 55.575 54.000 0.231 0.000 0.833 993 D CB 0.178 41.085 40.800 0.179 0.000 0.961 993 D HN 0.322 nan 8.370 nan 0.000 0.447 994 I N 0.422 121.137 120.570 0.243 0.000 2.439 994 I HA 0.130 4.301 4.170 0.003 0.000 0.285 994 I C -0.124 176.106 176.117 0.189 0.000 1.021 994 I CA -0.474 60.959 61.300 0.221 0.000 1.091 994 I CB 1.588 39.747 38.000 0.265 0.000 1.242 994 I HN -0.205 nan 8.210 nan 0.000 0.439 995 S N 4.643 120.463 115.700 0.199 0.000 2.554 995 S HA 0.285 4.757 4.470 0.003 0.000 0.278 995 S C 0.954 175.532 174.600 -0.037 0.000 1.242 995 S CA -0.319 57.978 58.200 0.162 0.000 1.051 995 S CB 1.004 64.375 63.200 0.285 0.000 0.986 995 S HN 0.488 nan 8.310 nan 0.000 0.502 996 E N 3.254 123.317 120.200 -0.229 0.000 2.478 996 E HA 0.026 4.378 4.350 0.003 0.000 0.194 996 E C 0.164 176.340 176.600 -0.707 0.000 1.045 996 E CA 0.686 56.759 56.400 -0.546 0.000 0.868 996 E CB 0.083 29.354 29.700 -0.714 0.000 0.885 996 E HN 0.828 nan 8.360 nan 0.000 0.505 997 Y N -0.155 120.084 120.300 -0.101 0.000 2.594 997 Y HA 0.262 4.814 4.550 0.002 0.000 0.283 997 Y C 1.283 177.126 175.900 -0.094 0.000 1.140 997 Y CA -0.542 57.429 58.100 -0.216 0.000 1.261 997 Y CB 0.221 38.282 38.460 -0.664 0.000 1.358 997 Y HN -0.188 nan 8.280 nan 0.000 0.513 998 I N 3.113 123.713 120.570 0.050 0.000 2.828 998 I HA -0.240 3.932 4.170 0.003 0.000 0.292 998 I C 1.130 177.456 176.117 0.349 0.000 1.206 998 I CA 1.041 62.460 61.300 0.197 0.000 1.420 998 I CB -0.112 38.121 38.000 0.387 0.000 1.368 998 I HN 0.569 nan 8.210 nan 0.000 0.556 999 N N 4.185 123.038 118.700 0.255 0.000 2.713 999 N HA -0.225 4.516 4.740 0.003 0.000 0.251 999 N C -0.346 175.320 175.510 0.260 0.000 1.117 999 N CA 0.702 53.847 53.050 0.159 0.000 0.770 999 N CB -0.166 38.345 38.487 0.040 0.000 1.137 999 N HN 0.601 nan 8.380 nan 0.000 0.566 1000 R N -0.280 120.420 120.500 0.335 0.000 2.534 1000 R HA 0.222 4.564 4.340 0.003 0.000 0.301 1000 R C -0.776 175.779 176.300 0.424 0.000 0.961 1000 R CA -0.642 55.690 56.100 0.387 0.000 0.871 1000 R CB 0.680 31.151 30.300 0.286 0.000 1.170 1000 R HN 0.101 nan 8.270 nan 0.000 0.446 1001 W N 4.021 125.573 121.300 0.420 0.000 2.343 1001 W HA 0.010 4.671 4.660 0.003 0.000 0.337 1001 W C 0.152 177.100 176.519 0.715 0.000 1.320 1001 W CA 0.532 58.156 57.345 0.465 0.000 1.290 1001 W CB 0.149 29.845 29.460 0.393 0.000 1.206 1001 W HN 0.450 nan 8.180 nan 0.000 0.565 1002 F N 2.622 123.053 119.950 0.801 0.000 2.613 1002 F HA 0.575 5.103 4.527 0.002 0.000 0.310 1002 F C -1.537 174.437 175.800 0.289 0.000 1.085 1002 F CA -2.536 55.788 58.000 0.539 0.000 0.945 1002 F CB 0.639 39.868 39.000 0.381 0.000 1.298 1002 F HN 0.107 nan 8.300 nan 0.000 0.455 1003 F N 3.292 123.106 119.950 -0.227 0.000 2.420 1003 F HA 0.700 5.227 4.527 0.001 0.000 0.352 1003 F C -0.923 174.570 175.800 -0.513 0.000 1.108 1003 F CA -1.212 56.243 58.000 -0.909 0.000 1.162 1003 F CB 1.129 39.311 39.000 -1.363 0.000 1.118 1003 F HN 0.417 nan 8.300 nan 0.000 0.510 1004 V N 4.810 124.061 119.914 -1.106 0.000 2.628 1004 V HA 0.623 4.745 4.120 0.003 0.000 0.306 1004 V C -0.509 174.778 176.094 -1.346 0.000 1.045 1004 V CA -0.586 61.043 62.300 -1.118 0.000 0.905 1004 V CB 2.150 33.213 31.823 -1.266 0.000 0.997 1004 V HN 0.832 nan 8.190 nan 0.000 0.436 1005 T N 5.223 119.211 114.554 -0.942 0.000 3.071 1005 T HA 0.613 4.964 4.350 0.003 0.000 0.311 1005 T C -0.799 173.591 174.700 -0.517 0.000 1.042 1005 T CA -0.197 61.446 62.100 -0.762 0.000 1.028 1005 T CB 1.154 69.545 68.868 -0.796 0.000 1.068 1005 T HN 0.400 nan 8.240 nan 0.000 0.451 1006 I N 3.501 123.719 120.570 -0.588 0.000 2.389 1006 I HA 0.471 4.642 4.170 0.003 0.000 0.288 1006 I C 0.568 176.244 176.117 -0.735 0.000 0.999 1006 I CA -0.691 60.182 61.300 -0.711 0.000 1.129 1006 I CB 1.924 39.203 38.000 -1.202 0.000 1.288 1006 I HN 0.658 nan 8.210 nan 0.000 0.444 1007 T N 2.273 116.517 114.554 -0.518 0.000 2.918 1007 T HA 0.562 4.913 4.350 0.003 0.000 0.286 1007 T C -0.533 173.898 174.700 -0.447 0.000 1.026 1007 T CA -0.899 60.920 62.100 -0.467 0.000 1.031 1007 T CB 1.730 70.440 68.868 -0.263 0.000 1.046 1007 T HN 0.496 nan 8.240 nan 0.000 0.479 1008 N N 2.222 120.651 118.700 -0.452 0.000 2.260 1008 N HA 0.424 5.166 4.740 0.003 0.000 0.293 1008 N C -1.284 174.169 175.510 -0.095 0.000 1.058 1008 N CA -0.689 52.195 53.050 -0.276 0.000 0.824 1008 N CB 2.559 40.800 38.487 -0.411 0.000 1.551 1008 N HN 0.899 nan 8.380 nan 0.000 0.475 1009 N N 0.095 118.790 118.700 -0.007 0.000 3.038 1009 N HA 0.375 5.116 4.740 0.003 0.000 0.307 1009 N C 0.480 176.037 175.510 0.078 0.000 1.441 1009 N CA -0.832 52.240 53.050 0.037 0.000 0.772 1009 N CB 0.840 39.330 38.487 0.005 0.000 1.651 1009 N HN 0.268 nan 8.380 nan 0.000 0.593 1010 L N -0.812 120.456 121.223 0.075 0.000 2.362 1010 L HA 0.019 4.361 4.340 0.003 0.000 0.219 1010 L C 0.731 177.640 176.870 0.065 0.000 1.134 1010 L CA 0.939 55.828 54.840 0.082 0.000 0.807 1010 L CB -0.528 41.572 42.059 0.068 0.000 0.927 1010 L HN 0.534 nan 8.230 nan 0.000 0.447 1011 N N -1.403 117.324 118.700 0.045 0.000 2.460 1011 N HA 0.100 4.842 4.740 0.003 0.000 0.193 1011 N C 0.216 175.741 175.510 0.025 0.000 1.080 1011 N CA 0.282 53.352 53.050 0.032 0.000 0.869 1011 N CB 0.516 39.013 38.487 0.017 0.000 1.201 1011 N HN 0.242 nan 8.380 nan 0.000 0.457 1012 N N 0.173 118.882 118.700 0.015 0.000 2.242 1012 N HA 0.473 5.214 4.740 0.003 0.000 0.292 1012 N C -1.406 174.097 175.510 -0.011 0.000 1.125 1012 N CA -0.352 52.696 53.050 -0.004 0.000 0.783 1012 N CB 2.920 41.386 38.487 -0.034 0.000 1.558 1012 N HN -0.044 nan 8.380 nan 0.000 0.472 1013 A N 1.768 124.585 122.820 -0.005 0.000 2.273 1013 A HA 0.532 4.854 4.320 0.003 0.000 0.315 1013 A C -0.397 177.125 177.584 -0.103 0.000 1.256 1013 A CA -0.561 51.465 52.037 -0.018 0.000 0.851 1013 A CB 0.640 19.732 19.000 0.153 0.000 1.172 1013 A HN 0.519 nan 8.150 nan 0.000 0.508 1014 K N 2.185 122.470 120.400 -0.191 0.000 2.259 1014 K HA 0.667 4.989 4.320 0.003 0.000 0.252 1014 K C -1.257 175.158 176.600 -0.308 0.000 0.936 1014 K CA -0.412 55.717 56.287 -0.264 0.000 0.810 1014 K CB 2.451 34.772 32.500 -0.298 0.000 1.143 1014 K HN 0.633 nan 8.250 nan 0.000 0.427 1015 I N 3.122 123.482 120.570 -0.350 0.000 2.362 1015 I HA 0.277 4.449 4.170 0.003 0.000 0.289 1015 I C -1.121 174.746 176.117 -0.416 0.000 0.994 1015 I CA -0.875 60.237 61.300 -0.312 0.000 1.158 1015 I CB 0.820 38.700 38.000 -0.200 0.000 1.315 1015 I HN 0.460 nan 8.210 nan 0.000 0.451 1016 Y N 6.378 126.411 120.300 -0.444 0.000 2.377 1016 Y HA 0.507 5.058 4.550 0.002 0.000 0.339 1016 Y C -0.049 175.503 175.900 -0.579 0.000 1.011 1016 Y CA -0.869 56.955 58.100 -0.460 0.000 1.093 1016 Y CB 1.584 39.779 38.460 -0.442 0.000 1.201 1016 Y HN 0.238 nan 8.280 nan 0.000 0.455 1017 I N 3.853 124.158 120.570 -0.441 0.000 2.418 1017 I HA 0.208 4.379 4.170 0.003 0.000 0.287 1017 I C -0.210 175.658 176.117 -0.415 0.000 1.008 1017 I CA -1.072 59.903 61.300 -0.540 0.000 1.104 1017 I CB 1.251 38.698 38.000 -0.921 0.000 1.264 1017 I HN 0.725 nan 8.210 nan 0.000 0.438 1018 N N 5.122 123.553 118.700 -0.447 0.000 2.727 1018 N HA -0.205 4.537 4.740 0.003 0.000 0.249 1018 N C 1.128 176.078 175.510 -0.933 0.000 1.048 1018 N CA 1.291 53.853 53.050 -0.812 0.000 0.714 1018 N CB -0.989 37.183 38.487 -0.524 0.000 0.959 1018 N HN 1.136 nan 8.380 nan 0.000 0.544 1019 G N -1.262 107.239 108.800 -0.500 0.000 2.205 1019 G HA2 -0.367 3.594 3.960 0.003 0.000 0.261 1019 G HA3 -0.367 3.594 3.960 0.003 0.000 0.261 1019 G C 0.007 174.847 174.900 -0.099 0.000 0.980 1019 G CA 0.893 45.845 45.100 -0.248 0.000 0.632 1019 G HN 0.688 nan 8.290 nan 0.000 0.533 1020 K N 0.216 120.542 120.400 -0.123 0.000 2.270 1020 K HA 0.655 4.977 4.320 0.003 0.000 0.255 1020 K C -0.116 176.408 176.600 -0.126 0.000 0.936 1020 K CA -1.173 55.075 56.287 -0.064 0.000 0.809 1020 K CB 1.307 33.744 32.500 -0.105 0.000 1.131 1020 K HN 0.180 nan 8.250 nan 0.000 0.427 1021 L N 4.161 125.256 121.223 -0.213 0.000 2.462 1021 L HA 0.063 4.405 4.340 0.003 0.000 0.272 1021 L C 0.565 177.214 176.870 -0.368 0.000 1.166 1021 L CA 1.004 55.501 54.840 -0.571 0.000 0.880 1021 L CB 0.498 42.207 42.059 -0.583 0.000 1.142 1021 L HN 0.790 nan 8.230 nan 0.000 0.473 1022 E N 2.023 121.991 120.200 -0.386 0.000 2.367 1022 E HA 0.246 4.598 4.350 0.003 0.000 0.204 1022 E C -0.219 176.268 176.600 -0.188 0.000 0.840 1022 E CA 0.281 56.550 56.400 -0.218 0.000 1.051 1022 E CB 0.631 30.221 29.700 -0.183 0.000 1.051 1022 E HN 0.673 nan 8.360 nan 0.000 0.509 1023 S N 0.789 116.332 115.700 -0.262 0.000 2.595 1023 S HA 0.546 5.018 4.470 0.003 0.000 0.281 1023 S C -0.833 173.606 174.600 -0.267 0.000 1.117 1023 S CA -0.882 57.168 58.200 -0.250 0.000 0.873 1023 S CB 2.321 65.376 63.200 -0.243 0.000 1.108 1023 S HN 0.032 nan 8.310 nan 0.000 0.477 1024 N N 0.712 119.280 118.700 -0.221 0.000 2.452 1024 N HA 0.404 5.146 4.740 0.003 0.000 0.277 1024 N C -2.004 173.433 175.510 -0.122 0.000 1.078 1024 N CA -0.126 52.819 53.050 -0.175 0.000 0.947 1024 N CB 2.148 40.532 38.487 -0.173 0.000 1.655 1024 N HN 0.562 nan 8.380 nan 0.000 0.490 1025 T N 1.327 115.837 114.554 -0.072 0.000 2.848 1025 T HA 0.182 4.533 4.350 0.003 0.000 0.285 1025 T C -0.964 173.733 174.700 -0.004 0.000 0.995 1025 T CA -0.473 61.609 62.100 -0.029 0.000 0.970 1025 T CB 1.405 70.282 68.868 0.015 0.000 0.976 1025 T HN 0.416 nan 8.240 nan 0.000 0.441 1026 D N 2.699 123.098 120.400 -0.002 0.000 2.358 1026 D HA 0.120 4.761 4.640 0.003 0.000 0.258 1026 D C 0.905 177.224 176.300 0.031 0.000 1.223 1026 D CA -0.474 53.532 54.000 0.009 0.000 0.886 1026 D CB 0.306 41.109 40.800 0.004 0.000 1.120 1026 D HN 0.610 nan 8.370 nan 0.000 0.482 1027 I N 0.202 120.798 120.570 0.044 0.000 3.936 1027 I HA 0.229 4.400 4.170 0.003 0.000 0.330 1027 I C 1.309 177.462 176.117 0.061 0.000 1.509 1027 I CA -0.741 60.598 61.300 0.065 0.000 1.126 1027 I CB 0.282 38.342 38.000 0.099 0.000 1.115 1027 I HN 0.101 nan 8.210 nan 0.000 0.424 1028 K N 1.566 121.993 120.400 0.045 0.000 2.113 1028 K HA -0.159 4.163 4.320 0.003 0.000 0.208 1028 K C 0.770 177.396 176.600 0.043 0.000 1.047 1028 K CA 1.967 58.279 56.287 0.042 0.000 0.928 1028 K CB -0.121 32.396 32.500 0.029 0.000 0.716 1028 K HN 0.428 nan 8.250 nan 0.000 0.446 1029 D N 0.294 120.718 120.400 0.040 0.000 2.363 1029 D HA 0.011 4.652 4.640 0.003 0.000 0.226 1029 D C 0.523 176.850 176.300 0.044 0.000 1.020 1029 D CA 0.407 54.429 54.000 0.037 0.000 0.892 1029 D CB 0.036 40.855 40.800 0.031 0.000 0.900 1029 D HN 0.209 nan 8.370 nan 0.000 0.531 1030 I N 0.927 121.531 120.570 0.056 0.000 2.440 1030 I HA 0.112 4.283 4.170 0.003 0.000 0.294 1030 I C 0.616 176.774 176.117 0.069 0.000 0.995 1030 I CA -0.635 60.704 61.300 0.065 0.000 1.306 1030 I CB 1.041 39.091 38.000 0.084 0.000 1.407 1030 I HN -0.295 nan 8.210 nan 0.000 0.501 1031 R N 4.719 125.257 120.500 0.062 0.000 2.465 1031 R HA 0.273 4.615 4.340 0.003 0.000 0.198 1031 R C -0.410 175.935 176.300 0.075 0.000 1.188 1031 R CA -0.505 55.631 56.100 0.061 0.000 1.080 1031 R CB -0.203 30.124 30.300 0.045 0.000 1.862 1031 R HN 0.570 nan 8.270 nan 0.000 0.517 1032 E N 1.560 121.797 120.200 0.062 0.000 2.384 1032 E HA 0.124 4.476 4.350 0.003 0.000 0.266 1032 E C -0.560 176.076 176.600 0.060 0.000 1.012 1032 E CA -0.104 56.335 56.400 0.064 0.000 0.901 1032 E CB 0.592 30.319 29.700 0.045 0.000 0.967 1032 E HN 0.038 nan 8.360 nan 0.000 0.435 1033 V N 4.420 124.378 119.914 0.073 0.000 2.384 1033 V HA 0.135 4.257 4.120 0.003 0.000 0.287 1033 V C 0.345 176.436 176.094 -0.005 0.000 1.020 1033 V CA -0.959 61.378 62.300 0.062 0.000 0.850 1033 V CB 1.370 33.278 31.823 0.142 0.000 0.987 1033 V HN 0.615 nan 8.190 nan 0.000 0.436 1034 I N 4.130 124.680 120.570 -0.034 0.000 2.668 1034 I HA 0.099 4.271 4.170 0.003 0.000 0.285 1034 I C 1.181 177.217 176.117 -0.136 0.000 1.168 1034 I CA 0.648 61.896 61.300 -0.087 0.000 1.424 1034 I CB 0.836 38.791 38.000 -0.076 0.000 1.377 1034 I HN 0.776 nan 8.210 nan 0.000 0.560 1035 A N 5.584 128.250 122.820 -0.257 0.000 2.343 1035 A HA 0.063 4.385 4.320 0.003 0.000 0.223 1035 A C 1.107 178.518 177.584 -0.288 0.000 1.214 1035 A CA -0.082 51.725 52.037 -0.384 0.000 0.900 1035 A CB -0.492 17.819 19.000 -1.149 0.000 0.942 1035 A HN 0.846 nan 8.150 nan 0.000 0.507 1036 N N -0.427 118.147 118.700 -0.210 0.000 2.279 1036 N HA 0.281 5.022 4.740 0.003 0.000 0.226 1036 N C 0.739 176.199 175.510 -0.084 0.000 1.126 1036 N CA 0.159 53.130 53.050 -0.130 0.000 0.846 1036 N CB 0.448 38.868 38.487 -0.112 0.000 1.050 1036 N HN 0.186 nan 8.380 nan 0.000 0.502 1037 G N 0.427 109.163 108.800 -0.106 0.000 2.634 1037 G HA2 0.098 4.060 3.960 0.003 0.000 0.255 1037 G HA3 0.098 4.060 3.960 0.003 0.000 0.255 1037 G C -0.297 174.553 174.900 -0.083 0.000 1.205 1037 G CA -0.566 44.470 45.100 -0.107 0.000 0.884 1037 G HN 0.351 nan 8.290 nan 0.000 0.549 1038 E N -0.869 119.286 120.200 -0.075 0.000 2.398 1038 E HA 0.155 4.507 4.350 0.003 0.000 0.263 1038 E C -0.231 176.318 176.600 -0.085 0.000 1.046 1038 E CA 0.282 56.659 56.400 -0.039 0.000 0.908 1038 E CB 1.305 30.988 29.700 -0.027 0.000 0.963 1038 E HN 0.240 nan 8.360 nan 0.000 0.431 1039 I N 3.857 124.416 120.570 -0.018 0.000 2.307 1039 I HA 0.190 4.361 4.170 0.003 0.000 0.289 1039 I C -0.423 175.669 176.117 -0.042 0.000 1.021 1039 I CA -0.649 60.595 61.300 -0.092 0.000 1.224 1039 I CB 0.559 38.603 38.000 0.072 0.000 1.376 1039 I HN 0.253 nan 8.210 nan 0.000 0.470 1040 I N 6.693 127.164 120.570 -0.166 0.000 2.312 1040 I HA 0.281 4.452 4.170 0.003 0.000 0.290 1040 I C -0.393 175.647 176.117 -0.128 0.000 1.008 1040 I CA -0.387 60.876 61.300 -0.061 0.000 1.226 1040 I CB 0.532 38.481 38.000 -0.085 0.000 1.371 1040 I HN 0.313 nan 8.210 nan 0.000 0.468 1041 F N 6.281 126.186 119.950 -0.074 0.000 2.371 1041 F HA 0.558 5.086 4.527 0.002 0.000 0.363 1041 F C 0.500 176.290 175.800 -0.017 0.000 1.122 1041 F CA -0.435 57.537 58.000 -0.047 0.000 1.129 1041 F CB 0.828 39.786 39.000 -0.070 0.000 1.173 1041 F HN 0.383 nan 8.300 nan 0.000 0.489 1042 K N 3.797 124.275 120.400 0.131 0.000 2.622 1042 K HA 0.311 4.632 4.320 0.003 0.000 0.263 1042 K C -1.840 174.815 176.600 0.091 0.000 0.947 1042 K CA -0.669 55.672 56.287 0.090 0.000 0.885 1042 K CB 1.269 33.782 32.500 0.021 0.000 1.362 1042 K HN 0.542 nan 8.250 nan 0.000 0.413 1043 L N 3.091 124.381 121.223 0.110 0.000 2.418 1043 L HA 0.224 4.566 4.340 0.003 0.000 0.274 1043 L C -0.373 176.559 176.870 0.103 0.000 1.135 1043 L CA 0.173 55.108 54.840 0.158 0.000 0.870 1043 L CB 0.448 42.578 42.059 0.118 0.000 1.154 1043 L HN 0.612 nan 8.230 nan 0.000 0.462 1044 D N 2.604 123.086 120.400 0.136 0.000 2.542 1044 D HA 0.690 5.331 4.640 0.003 0.000 0.252 1044 D C -0.154 176.207 176.300 0.103 0.000 1.222 1044 D CA 0.075 54.120 54.000 0.075 0.000 0.895 1044 D CB 1.538 42.355 40.800 0.029 0.000 1.207 1044 D HN 0.692 nan 8.370 nan 0.000 0.558 1045 G N 2.348 111.187 108.800 0.065 0.000 2.343 1045 G HA2 0.145 4.107 3.960 0.003 0.000 0.289 1045 G HA3 0.145 4.107 3.960 0.003 0.000 0.289 1045 G C -1.444 173.465 174.900 0.015 0.000 1.295 1045 G CA -0.967 44.172 45.100 0.064 0.000 0.869 1045 G HN 0.319 nan 8.290 nan 0.000 0.522 1046 D N 0.885 121.292 120.400 0.012 0.000 2.517 1046 D HA 0.419 5.061 4.640 0.003 0.000 0.220 1046 D C 0.813 177.082 176.300 -0.052 0.000 1.158 1046 D CA -0.231 53.760 54.000 -0.015 0.000 0.992 1046 D CB -0.562 40.236 40.800 -0.003 0.000 1.058 1046 D HN 0.654 nan 8.370 nan 0.000 0.516 1047 I N -1.179 119.332 120.570 -0.099 0.000 2.648 1047 I HA 0.490 4.661 4.170 0.003 0.000 0.304 1047 I C 0.174 176.218 176.117 -0.121 0.000 1.009 1047 I CA -1.125 60.066 61.300 -0.181 0.000 1.114 1047 I CB 1.698 39.489 38.000 -0.349 0.000 1.293 1047 I HN -0.078 nan 8.210 nan 0.000 0.449 1048 D N 3.572 123.902 120.400 -0.116 0.000 2.443 1048 D HA -0.045 4.596 4.640 0.003 0.000 0.239 1048 D C 0.934 177.197 176.300 -0.061 0.000 1.136 1048 D CA 0.220 54.181 54.000 -0.066 0.000 0.879 1048 D CB 1.217 41.986 40.800 -0.052 0.000 1.195 1048 D HN 0.759 nan 8.370 nan 0.000 0.443 1049 R N 1.579 122.060 120.500 -0.031 0.000 2.293 1049 R HA -0.122 4.220 4.340 0.003 0.000 0.219 1049 R C 1.505 177.808 176.300 0.004 0.000 1.091 1049 R CA 1.606 57.696 56.100 -0.017 0.000 1.004 1049 R CB -0.081 30.215 30.300 -0.007 0.000 0.865 1049 R HN 0.555 nan 8.270 nan 0.000 0.469 1050 T N -3.002 111.558 114.554 0.010 0.000 3.086 1050 T HA 0.021 4.373 4.350 0.003 0.000 0.250 1050 T C 0.586 175.338 174.700 0.087 0.000 1.074 1050 T CA -0.409 61.728 62.100 0.061 0.000 0.988 1050 T CB 0.190 69.092 68.868 0.058 0.000 0.988 1050 T HN 0.067 nan 8.240 nan 0.000 0.530 1051 Q N 1.812 121.601 119.800 -0.019 0.000 2.361 1051 Q HA 0.465 4.807 4.340 0.003 0.000 0.276 1051 Q C -0.643 175.369 176.000 0.020 0.000 1.022 1051 Q CA -0.139 55.596 55.803 -0.114 0.000 0.898 1051 Q CB 0.025 28.614 28.738 -0.248 0.000 1.246 1051 Q HN 0.611 nan 8.270 nan 0.000 0.410 1052 F N 1.739 121.662 119.950 -0.045 0.000 2.668 1052 F HA 0.737 5.265 4.527 0.002 0.000 0.309 1052 F C -1.696 174.094 175.800 -0.016 0.000 1.117 1052 F CA -1.320 56.642 58.000 -0.064 0.000 0.951 1052 F CB 1.123 40.049 39.000 -0.122 0.000 1.323 1052 F HN 0.302 nan 8.300 nan 0.000 0.451 1053 I N 1.359 122.065 120.570 0.227 0.000 2.686 1053 I HA 0.292 4.464 4.170 0.003 0.000 0.295 1053 I C -1.718 174.440 176.117 0.069 0.000 1.114 1053 I CA -0.868 60.537 61.300 0.175 0.000 1.038 1053 I CB 2.009 40.120 38.000 0.186 0.000 1.238 1053 I HN 0.835 nan 8.210 nan 0.000 0.420 1054 W N 5.872 127.208 121.300 0.060 0.000 2.573 1054 W HA 0.717 5.378 4.660 0.002 0.000 0.326 1054 W C -0.141 176.335 176.519 -0.072 0.000 1.049 1054 W CA -0.346 56.974 57.345 -0.042 0.000 1.220 1054 W CB 1.778 31.087 29.460 -0.252 0.000 1.373 1054 W HN 0.167 nan 8.180 nan 0.000 0.507 1055 M N 2.759 122.427 119.600 0.112 0.000 2.593 1055 M HA 0.454 4.936 4.480 0.003 0.000 0.290 1055 M C -0.849 175.403 176.300 -0.081 0.000 1.244 1055 M CA -1.029 54.295 55.300 0.040 0.000 0.857 1055 M CB 3.041 35.459 32.600 -0.304 0.000 1.738 1055 M HN 0.352 nan 8.290 nan 0.000 0.461 1056 K N 0.784 121.354 120.400 0.283 0.000 2.546 1056 K HA 0.376 4.697 4.320 0.003 0.000 0.264 1056 K C -1.399 175.467 176.600 0.444 0.000 0.937 1056 K CA -0.477 55.873 56.287 0.105 0.000 0.833 1056 K CB 1.513 33.760 32.500 -0.423 0.000 1.378 1056 K HN 0.784 nan 8.250 nan 0.000 0.432 1057 Y N 1.003 121.575 120.300 0.454 0.000 3.168 1057 Y HA -0.289 4.263 4.550 0.004 0.000 0.207 1057 Y C -0.473 175.794 175.900 0.611 0.000 1.280 1057 Y CA -0.064 58.326 58.100 0.483 0.000 1.235 1057 Y CB -1.351 37.380 38.460 0.452 0.000 1.370 1057 Y HN 0.475 nan 8.280 nan 0.000 0.537 1058 F N 2.489 122.850 119.950 0.684 0.000 2.504 1058 F HA 0.397 4.927 4.527 0.004 0.000 0.369 1058 F C 0.525 176.634 175.800 0.514 0.000 1.082 1058 F CA 0.297 58.690 58.000 0.655 0.000 1.216 1058 F CB 0.547 39.969 39.000 0.704 0.000 1.108 1058 F HN 0.079 nan 8.300 nan 0.000 0.554 1059 S N 6.055 121.674 115.700 -0.135 0.000 2.556 1059 S HA 0.764 5.235 4.470 0.003 0.000 0.271 1059 S C -1.025 173.441 174.600 -0.222 0.000 1.135 1059 S CA -1.002 57.159 58.200 -0.066 0.000 0.858 1059 S CB 1.679 64.927 63.200 0.079 0.000 1.114 1059 S HN 0.553 nan 8.310 nan 0.000 0.468 1060 I N 1.228 121.674 120.570 -0.207 0.000 2.689 1060 I HA 0.629 4.801 4.170 0.003 0.000 0.299 1060 I C -1.505 174.410 176.117 -0.337 0.000 1.059 1060 I CA -0.784 60.471 61.300 -0.075 0.000 1.055 1060 I CB 1.783 39.890 38.000 0.177 0.000 1.243 1060 I HN 0.560 nan 8.210 nan 0.000 0.425 1061 F N 2.367 122.286 119.950 -0.052 0.000 2.576 1061 F HA 0.308 4.836 4.527 0.002 0.000 0.313 1061 F C 0.476 176.188 175.800 -0.146 0.000 1.078 1061 F CA -1.011 56.950 58.000 -0.066 0.000 0.921 1061 F CB 1.339 40.278 39.000 -0.101 0.000 1.232 1061 F HN 0.462 nan 8.300 nan 0.000 0.459 1062 N N 0.048 118.772 118.700 0.039 0.000 2.455 1062 N HA 0.142 4.883 4.740 0.003 0.000 0.258 1062 N C -0.436 175.065 175.510 -0.015 0.000 1.158 1062 N CA -0.015 52.980 53.050 -0.091 0.000 0.893 1062 N CB 0.610 39.161 38.487 0.107 0.000 1.173 1062 N HN 0.599 nan 8.380 nan 0.000 0.503 1063 T N -1.386 113.168 114.554 0.001 0.000 2.816 1063 T HA 0.232 4.584 4.350 0.003 0.000 0.299 1063 T C -1.818 172.830 174.700 -0.087 0.000 1.230 1063 T CA -0.749 61.342 62.100 -0.015 0.000 1.007 1063 T CB 1.567 70.440 68.868 0.008 0.000 1.289 1063 T HN 0.186 nan 8.240 nan 0.000 0.508 1064 E N 2.982 123.122 120.200 -0.100 0.000 2.001 1064 E HA 0.304 4.656 4.350 0.003 0.000 0.279 1064 E C -0.271 176.212 176.600 -0.195 0.000 1.045 1064 E CA -0.358 55.948 56.400 -0.157 0.000 0.833 1064 E CB 0.204 29.838 29.700 -0.109 0.000 1.077 1064 E HN 0.522 nan 8.360 nan 0.000 0.397 1065 L N 3.469 124.514 121.223 -0.297 0.000 2.490 1065 L HA 0.002 4.343 4.340 0.003 0.000 0.274 1065 L C 0.947 177.614 176.870 -0.339 0.000 1.201 1065 L CA -0.000 54.619 54.840 -0.367 0.000 0.869 1065 L CB 0.469 42.197 42.059 -0.552 0.000 1.123 1065 L HN 0.548 nan 8.230 nan 0.000 0.484 1066 S N 1.860 117.394 115.700 -0.277 0.000 2.601 1066 S HA 0.048 4.519 4.470 0.003 0.000 0.271 1066 S C 0.693 175.105 174.600 -0.313 0.000 1.305 1066 S CA -0.678 57.388 58.200 -0.224 0.000 1.022 1066 S CB 1.714 64.826 63.200 -0.146 0.000 0.940 1066 S HN 0.702 nan 8.310 nan 0.000 0.525 1067 Q N 1.362 121.015 119.800 -0.245 0.000 2.135 1067 Q HA -0.143 4.199 4.340 0.003 0.000 0.204 1067 Q C 2.089 177.980 176.000 -0.181 0.000 0.981 1067 Q CA 2.214 57.865 55.803 -0.253 0.000 0.856 1067 Q CB -0.861 27.884 28.738 0.012 0.000 0.902 1067 Q HN 0.856 nan 8.270 nan 0.000 0.425 1068 S N 0.815 116.440 115.700 -0.124 0.000 2.370 1068 S HA -0.157 4.315 4.470 0.003 0.000 0.226 1068 S C 1.767 176.299 174.600 -0.113 0.000 1.033 1068 S CA 1.571 59.717 58.200 -0.091 0.000 1.011 1068 S CB -0.356 62.801 63.200 -0.073 0.000 0.852 1068 S HN 0.582 nan 8.310 nan 0.000 0.457 1069 N N 0.765 119.369 118.700 -0.161 0.000 2.216 1069 N HA -0.030 4.711 4.740 0.003 0.000 0.183 1069 N C 1.841 177.241 175.510 -0.184 0.000 1.017 1069 N CA 1.335 54.278 53.050 -0.179 0.000 0.861 1069 N CB -0.241 38.112 38.487 -0.224 0.000 0.986 1069 N HN 0.514 nan 8.380 nan 0.000 0.428 1070 I N 0.797 121.220 120.570 -0.245 0.000 2.315 1070 I HA -0.186 3.986 4.170 0.003 0.000 0.248 1070 I C 2.397 178.518 176.117 0.006 0.000 1.117 1070 I CA 0.896 62.079 61.300 -0.195 0.000 1.404 1070 I CB -0.247 37.467 38.000 -0.478 0.000 1.071 1070 I HN 0.164 nan 8.210 nan 0.000 0.419 1071 E N 1.450 121.632 120.200 -0.029 0.000 2.077 1071 E HA -0.280 4.072 4.350 0.003 0.000 0.193 1071 E C 1.946 178.596 176.600 0.083 0.000 0.989 1071 E CA 1.461 57.904 56.400 0.071 0.000 0.800 1071 E CB -0.002 29.715 29.700 0.029 0.000 0.746 1071 E HN 0.308 nan 8.360 nan 0.000 0.452 1072 E N 0.375 120.575 120.200 -0.000 0.000 2.072 1072 E HA -0.156 4.195 4.350 0.003 0.000 0.191 1072 E C 2.106 178.683 176.600 -0.039 0.000 0.985 1072 E CA 1.436 57.817 56.400 -0.031 0.000 0.801 1072 E CB -0.196 29.459 29.700 -0.074 0.000 0.750 1072 E HN 0.239 nan 8.360 nan 0.000 0.452 1073 R N -1.122 119.361 120.500 -0.029 0.000 2.081 1073 R HA -0.195 4.146 4.340 0.003 0.000 0.235 1073 R C 2.245 178.469 176.300 -0.126 0.000 1.131 1073 R CA 1.461 57.535 56.100 -0.045 0.000 0.960 1073 R CB -0.558 29.759 30.300 0.028 0.000 0.856 1073 R HN 0.296 nan 8.270 nan 0.000 0.436 1074 Y N 1.597 121.735 120.300 -0.271 0.000 2.128 1074 Y HA -0.224 4.327 4.550 0.002 0.000 0.284 1074 Y C 1.697 177.554 175.900 -0.072 0.000 1.154 1074 Y CA 1.909 59.776 58.100 -0.388 0.000 1.149 1074 Y CB -0.122 38.269 38.460 -0.116 0.000 0.976 1074 Y HN -0.003 nan 8.280 nan 0.000 0.505 1075 K N -0.095 120.218 120.400 -0.144 0.000 2.026 1075 K HA -0.139 4.183 4.320 0.003 0.000 0.208 1075 K C 2.192 178.712 176.600 -0.132 0.000 1.048 1075 K CA 1.882 58.059 56.287 -0.184 0.000 0.929 1075 K CB -0.304 32.148 32.500 -0.079 0.000 0.713 1075 K HN 0.346 nan 8.250 nan 0.000 0.439 1076 I N 1.341 121.848 120.570 -0.106 0.000 2.226 1076 I HA -0.276 3.895 4.170 0.003 0.000 0.245 1076 I C 1.996 178.070 176.117 -0.072 0.000 1.100 1076 I CA 1.387 62.633 61.300 -0.091 0.000 1.374 1076 I CB -0.141 37.798 38.000 -0.102 0.000 1.057 1076 I HN 0.249 nan 8.210 nan 0.000 0.413 1077 Q N -0.376 119.377 119.800 -0.079 0.000 2.444 1077 Q HA 0.011 4.353 4.340 0.003 0.000 0.206 1077 Q C 1.933 177.822 176.000 -0.185 0.000 0.948 1077 Q CA 0.524 56.285 55.803 -0.070 0.000 0.946 1077 Q CB 0.298 29.096 28.738 0.099 0.000 1.027 1077 Q HN 0.357 nan 8.270 nan 0.000 0.513 1078 S N -0.319 115.286 115.700 -0.158 0.000 2.503 1078 S HA 0.012 4.484 4.470 0.003 0.000 0.215 1078 S C 0.026 174.523 174.600 -0.173 0.000 1.003 1078 S CA -0.298 57.767 58.200 -0.224 0.000 0.910 1078 S CB 0.074 63.124 63.200 -0.251 0.000 0.790 1078 S HN 0.348 nan 8.310 nan 0.000 0.514 1079 Y N 3.887 124.045 120.300 -0.238 0.000 2.526 1079 Y HA 0.370 4.923 4.550 0.004 0.000 0.330 1079 Y C 0.361 176.080 175.900 -0.300 0.000 1.156 1079 Y CA -0.271 57.690 58.100 -0.232 0.000 1.419 1079 Y CB 0.290 38.643 38.460 -0.177 0.000 1.250 1079 Y HN 0.152 nan 8.280 nan 0.000 0.540 1080 S N 2.636 117.727 115.700 -1.015 0.000 2.567 1080 S HA 0.246 4.717 4.470 0.003 0.000 0.270 1080 S C -0.087 173.902 174.600 -1.019 0.000 1.152 1080 S CA -0.472 57.112 58.200 -1.026 0.000 0.835 1080 S CB 1.224 63.593 63.200 -1.384 0.000 1.115 1080 S HN 0.747 nan 8.310 nan 0.000 0.459 1081 E N 0.232 119.987 120.200 -0.741 0.000 2.285 1081 E HA 0.045 4.396 4.350 0.003 0.000 0.194 1081 E C 0.153 176.560 176.600 -0.321 0.000 0.997 1081 E CA 0.328 56.463 56.400 -0.441 0.000 0.845 1081 E CB -0.532 29.040 29.700 -0.215 0.000 0.782 1081 E HN 0.756 nan 8.360 nan 0.000 0.491 1082 Y N 0.650 120.816 120.300 -0.222 0.000 2.354 1082 Y HA 0.550 5.102 4.550 0.003 0.000 0.322 1082 Y C 0.147 175.924 175.900 -0.205 0.000 1.253 1082 Y CA -1.561 56.424 58.100 -0.191 0.000 1.272 1082 Y CB 0.506 38.867 38.460 -0.166 0.000 1.255 1082 Y HN -0.240 nan 8.280 nan 0.000 0.500 1083 L N 2.442 123.676 121.223 0.019 0.000 2.454 1083 L HA 0.457 4.798 4.340 0.003 0.000 0.256 1083 L C 0.064 176.960 176.870 0.044 0.000 1.136 1083 L CA -0.925 53.892 54.840 -0.038 0.000 0.804 1083 L CB 0.919 42.925 42.059 -0.089 0.000 1.181 1083 L HN 0.719 nan 8.230 nan 0.000 0.469 1084 K N -0.102 120.294 120.400 -0.006 0.000 2.352 1084 K HA 0.403 4.724 4.320 0.003 0.000 0.240 1084 K C -1.368 175.173 176.600 -0.098 0.000 1.017 1084 K CA -0.933 55.314 56.287 -0.068 0.000 0.851 1084 K CB 1.646 34.030 32.500 -0.193 0.000 1.261 1084 K HN 0.553 nan 8.250 nan 0.000 0.451 1085 D N -0.502 119.812 120.400 -0.143 0.000 2.529 1085 D HA 0.027 4.668 4.640 0.003 0.000 0.273 1085 D C 0.812 177.025 176.300 -0.145 0.000 1.197 1085 D CA -0.647 53.284 54.000 -0.116 0.000 1.070 1085 D CB 0.149 40.911 40.800 -0.064 0.000 1.134 1085 D HN 0.447 nan 8.370 nan 0.000 0.590 1086 F N -0.497 119.247 119.950 -0.342 0.000 2.192 1086 F HA -0.085 4.444 4.527 0.003 0.000 0.301 1086 F C 1.321 176.876 175.800 -0.407 0.000 1.079 1086 F CA 1.259 58.970 58.000 -0.482 0.000 1.303 1086 F CB -0.101 38.372 39.000 -0.878 0.000 1.024 1086 F HN 0.384 nan 8.300 nan 0.000 0.494 1087 W N -0.453 120.853 121.300 0.010 0.000 3.139 1087 W HA 0.307 4.969 4.660 0.002 0.000 0.260 1087 W C 1.829 178.278 176.519 -0.117 0.000 1.312 1087 W CA 0.488 57.815 57.345 -0.030 0.000 1.606 1087 W CB -0.184 29.316 29.460 0.067 0.000 1.118 1087 W HN 0.178 nan 8.180 nan 0.000 0.675 1088 G N 0.035 108.597 108.800 -0.397 0.000 2.176 1088 G HA2 -0.263 3.698 3.960 0.003 0.000 0.232 1088 G HA3 -0.263 3.698 3.960 0.003 0.000 0.232 1088 G C 0.126 174.855 174.900 -0.285 0.000 0.986 1088 G CA -0.423 44.134 45.100 -0.904 0.000 0.643 1088 G HN 0.147 nan 8.290 nan 0.000 0.522 1089 N N 1.401 120.068 118.700 -0.054 0.000 2.458 1089 N HA 0.496 5.238 4.740 0.003 0.000 0.271 1089 N C -2.492 172.948 175.510 -0.117 0.000 1.210 1089 N CA -1.355 51.660 53.050 -0.059 0.000 0.978 1089 N CB 1.041 39.545 38.487 0.029 0.000 1.206 1089 N HN 0.107 nan 8.380 nan 0.000 0.536 1090 P HA 0.012 nan 4.420 nan 0.000 0.268 1090 P C -0.129 177.084 177.300 -0.145 0.000 1.204 1090 P CA -0.325 62.612 63.100 -0.272 0.000 0.768 1090 P CB 0.559 31.776 31.700 -0.807 0.000 0.842 1091 L N 4.363 125.521 121.223 -0.109 0.000 2.426 1091 L HA 0.260 4.601 4.340 0.003 0.000 0.271 1091 L C 0.196 176.989 176.870 -0.128 0.000 1.169 1091 L CA 0.698 55.463 54.840 -0.125 0.000 0.836 1091 L CB -0.102 41.817 42.059 -0.234 0.000 1.112 1091 L HN 0.368 nan 8.230 nan 0.000 0.465 1092 M N 3.417 123.012 119.600 -0.008 0.000 2.658 1092 M HA 0.380 4.861 4.480 0.003 0.000 0.295 1092 M C -1.290 174.933 176.300 -0.128 0.000 1.248 1092 M CA -0.616 54.638 55.300 -0.076 0.000 0.843 1092 M CB 2.030 34.620 32.600 -0.017 0.000 1.749 1092 M HN 0.333 nan 8.290 nan 0.000 0.464 1093 Y N 0.614 120.889 120.300 -0.041 0.000 2.326 1093 Y HA 0.234 4.786 4.550 0.003 0.000 0.324 1093 Y C 0.830 176.691 175.900 -0.064 0.000 1.291 1093 Y CA -0.027 58.044 58.100 -0.049 0.000 1.348 1093 Y CB 0.598 39.029 38.460 -0.049 0.000 1.294 1093 Y HN 0.747 nan 8.280 nan 0.000 0.525 1094 N N 0.330 119.112 118.700 0.137 0.000 2.708 1094 N HA -0.258 4.483 4.740 0.003 0.000 0.249 1094 N C -0.744 174.743 175.510 -0.039 0.000 1.097 1094 N CA 0.950 54.035 53.050 0.057 0.000 0.710 1094 N CB -0.939 37.585 38.487 0.061 0.000 1.032 1094 N HN 0.581 nan 8.380 nan 0.000 0.551 1095 K N 0.885 121.182 120.400 -0.172 0.000 2.397 1095 K HA 0.274 4.596 4.320 0.003 0.000 0.253 1095 K C -0.550 175.722 176.600 -0.547 0.000 0.932 1095 K CA -0.486 55.573 56.287 -0.379 0.000 0.795 1095 K CB 1.480 33.649 32.500 -0.551 0.000 1.159 1095 K HN 0.018 nan 8.250 nan 0.000 0.424 1096 E N 2.934 122.931 120.200 -0.338 0.000 2.366 1096 E HA 0.047 4.399 4.350 0.003 0.000 0.266 1096 E C -1.134 175.300 176.600 -0.276 0.000 1.015 1096 E CA 0.421 56.698 56.400 -0.205 0.000 0.906 1096 E CB 0.531 30.153 29.700 -0.130 0.000 0.979 1096 E HN 0.387 nan 8.360 nan 0.000 0.443 1097 Y N 1.487 121.810 120.300 0.039 0.000 2.492 1097 Y HA 0.281 4.833 4.550 0.003 0.000 0.346 1097 Y C -0.735 175.198 175.900 0.055 0.000 0.997 1097 Y CA -1.261 56.903 58.100 0.106 0.000 1.025 1097 Y CB 1.366 40.025 38.460 0.332 0.000 1.263 1097 Y HN 0.445 nan 8.280 nan 0.000 0.454 1098 Y N 2.481 123.029 120.300 0.414 0.000 2.334 1098 Y HA 0.438 4.990 4.550 0.002 0.000 0.328 1098 Y C 0.105 176.116 175.900 0.185 0.000 1.130 1098 Y CA -0.686 57.600 58.100 0.310 0.000 1.163 1098 Y CB 1.086 39.670 38.460 0.207 0.000 1.207 1098 Y HN 0.365 nan 8.280 nan 0.000 0.471 1099 M N 4.102 123.863 119.600 0.268 0.000 2.188 1099 M HA 0.280 4.762 4.480 0.003 0.000 0.357 1099 M C -1.179 175.224 176.300 0.171 0.000 1.204 1099 M CA -0.355 54.935 55.300 -0.017 0.000 1.095 1099 M CB 0.941 33.267 32.600 -0.455 0.000 1.604 1099 M HN 0.610 nan 8.290 nan 0.000 0.464 1100 F N 3.626 123.556 119.950 -0.034 0.000 2.508 1100 F HA 0.492 5.020 4.527 0.002 0.000 0.325 1100 F C -0.683 175.071 175.800 -0.076 0.000 1.090 1100 F CA -0.717 57.250 58.000 -0.055 0.000 0.945 1100 F CB 1.153 40.047 39.000 -0.176 0.000 1.156 1100 F HN 0.472 nan 8.300 nan 0.000 0.463 1101 N N 4.142 122.200 118.700 -1.070 0.000 2.446 1101 N HA 0.354 5.095 4.740 0.003 0.000 0.265 1101 N C 0.309 175.087 175.510 -1.219 0.000 0.975 1101 N CA 0.275 52.626 53.050 -1.165 0.000 0.928 1101 N CB 2.033 39.868 38.487 -1.086 0.000 1.160 1101 N HN 0.898 nan 8.380 nan 0.000 0.495 1102 A N 3.242 125.627 122.820 -0.726 0.000 1.902 1102 A HA -0.054 4.267 4.320 0.003 0.000 0.217 1102 A C 1.809 179.215 177.584 -0.295 0.000 1.181 1102 A CA 1.978 53.816 52.037 -0.331 0.000 0.623 1102 A CB -0.835 18.125 19.000 -0.067 0.000 0.818 1102 A HN 0.709 nan 8.150 nan 0.000 0.443 1103 G N -0.919 107.685 108.800 -0.328 0.000 2.484 1103 G HA2 0.003 3.964 3.960 0.003 0.000 0.218 1103 G HA3 0.003 3.964 3.960 0.003 0.000 0.218 1103 G C 0.215 175.000 174.900 -0.192 0.000 1.130 1103 G CA 0.777 45.754 45.100 -0.205 0.000 0.784 1103 G HN 0.584 nan 8.290 nan 0.000 0.543 1104 N N -0.369 118.150 118.700 -0.302 0.000 2.733 1104 N HA 0.184 4.926 4.740 0.003 0.000 0.271 1104 N C 0.972 176.298 175.510 -0.307 0.000 1.720 1104 N CA -0.371 52.544 53.050 -0.225 0.000 0.803 1104 N CB 1.242 39.620 38.487 -0.182 0.000 1.208 1104 N HN 0.347 nan 8.380 nan 0.000 0.498 1105 K N -0.391 119.850 120.400 -0.265 0.000 2.127 1105 K HA -0.143 4.178 4.320 0.003 0.000 0.208 1105 K C 0.365 176.959 176.600 -0.011 0.000 1.047 1105 K CA 1.300 57.462 56.287 -0.208 0.000 0.927 1105 K CB -0.015 32.551 32.500 0.110 0.000 0.716 1105 K HN 0.084 nan 8.250 nan 0.000 0.450 1106 N N 0.647 119.354 118.700 0.011 0.000 2.370 1106 N HA 0.075 4.817 4.740 0.003 0.000 0.198 1106 N C -0.696 174.852 175.510 0.064 0.000 1.156 1106 N CA 0.137 53.231 53.050 0.073 0.000 0.839 1106 N CB 0.702 39.232 38.487 0.071 0.000 0.989 1106 N HN 0.141 nan 8.380 nan 0.000 0.468 1107 S N 0.236 115.934 115.700 -0.004 0.000 2.578 1107 S HA 0.596 5.067 4.470 0.003 0.000 0.301 1107 S C -0.694 173.953 174.600 0.079 0.000 1.091 1107 S CA -0.672 57.517 58.200 -0.017 0.000 1.032 1107 S CB 1.324 64.473 63.200 -0.085 0.000 1.064 1107 S HN 0.346 nan 8.310 nan 0.000 0.508 1108 Y N -0.885 119.416 120.300 0.002 0.000 2.615 1108 Y HA 0.761 5.312 4.550 0.002 0.000 0.341 1108 Y C -1.352 174.559 175.900 0.019 0.000 1.089 1108 Y CA -1.482 56.638 58.100 0.033 0.000 1.049 1108 Y CB 0.508 39.002 38.460 0.057 0.000 1.296 1108 Y HN 0.477 nan 8.280 nan 0.000 0.470 1109 I N 2.844 123.540 120.570 0.211 0.000 2.365 1109 I HA 0.422 4.594 4.170 0.003 0.000 0.291 1109 I C -0.604 175.570 176.117 0.094 0.000 1.004 1109 I CA -0.544 60.766 61.300 0.018 0.000 1.311 1109 I CB 1.478 39.367 38.000 -0.184 0.000 1.401 1109 I HN 0.568 nan 8.210 nan 0.000 0.491 1110 K N 6.255 126.637 120.400 -0.030 0.000 2.507 1110 K HA 0.399 4.721 4.320 0.003 0.000 0.251 1110 K C -1.267 175.290 176.600 -0.070 0.000 0.943 1110 K CA -0.719 55.564 56.287 -0.006 0.000 0.794 1110 K CB 1.484 34.013 32.500 0.048 0.000 1.188 1110 K HN 0.429 nan 8.250 nan 0.000 0.428 1111 L N 3.718 124.879 121.223 -0.103 0.000 2.584 1111 L HA 0.156 4.498 4.340 0.003 0.000 0.272 1111 L C -0.126 176.735 176.870 -0.015 0.000 1.195 1111 L CA 0.802 55.598 54.840 -0.073 0.000 0.920 1111 L CB 0.067 42.078 42.059 -0.079 0.000 1.173 1111 L HN 0.694 nan 8.230 nan 0.000 0.489 1112 K N 5.585 125.996 120.400 0.018 0.000 2.379 1112 K HA 0.058 4.380 4.320 0.003 0.000 0.284 1112 K C 0.039 176.668 176.600 0.049 0.000 1.044 1112 K CA -0.337 55.969 56.287 0.031 0.000 0.974 1112 K CB 0.414 32.956 32.500 0.070 0.000 0.962 1112 K HN 0.670 nan 8.250 nan 0.000 0.474 1113 K N 3.593 124.015 120.400 0.036 0.000 2.524 1113 K HA -0.140 4.182 4.320 0.003 0.000 0.279 1113 K C -0.578 176.057 176.600 0.058 0.000 0.993 1113 K CA 0.778 57.089 56.287 0.040 0.000 1.030 1113 K CB 0.285 32.802 32.500 0.029 0.000 0.891 1113 K HN 0.772 nan 8.250 nan 0.000 0.488 1114 D N 0.800 121.239 120.400 0.065 0.000 3.059 1114 D HA -0.165 4.476 4.640 0.003 0.000 0.220 1114 D C -0.922 175.437 176.300 0.098 0.000 1.169 1114 D CA 1.194 55.240 54.000 0.077 0.000 0.902 1114 D CB -1.019 39.816 40.800 0.060 0.000 1.116 1114 D HN 0.397 nan 8.370 nan 0.000 0.417 1115 S N -0.851 114.917 115.700 0.112 0.000 2.627 1115 S HA 0.623 5.094 4.470 0.003 0.000 0.283 1115 S C -2.348 172.343 174.600 0.152 0.000 1.127 1115 S CA -0.868 57.413 58.200 0.135 0.000 0.863 1115 S CB 2.988 66.272 63.200 0.140 0.000 1.121 1115 S HN -0.124 nan 8.310 nan 0.000 0.479 1116 P HA 0.275 nan 4.420 nan 0.000 0.257 1116 P C -0.594 176.754 177.300 0.080 0.000 1.737 1116 P CA -0.037 63.108 63.100 0.074 0.000 1.130 1116 P CB -0.121 31.583 31.700 0.007 0.000 1.572 1117 V N -3.709 116.297 119.914 0.153 0.000 3.102 1117 V HA 0.975 5.096 4.120 0.003 0.000 0.312 1117 V C -0.226 175.982 176.094 0.191 0.000 1.135 1117 V CA -1.113 61.307 62.300 0.199 0.000 1.022 1117 V CB 1.746 33.708 31.823 0.232 0.000 1.056 1117 V HN 0.051 nan 8.190 nan 0.000 0.436 1118 G N 1.722 110.674 108.800 0.255 0.000 2.335 1118 G HA2 0.610 4.571 3.960 0.003 0.000 0.314 1118 G HA3 0.610 4.571 3.960 0.003 0.000 0.314 1118 G C -0.379 174.587 174.900 0.111 0.000 1.129 1118 G CA -0.381 44.816 45.100 0.160 0.000 0.912 1118 G HN 1.090 nan 8.290 nan 0.000 0.443 1119 E N 1.867 122.028 120.200 -0.065 0.000 2.280 1119 E HA 0.478 4.830 4.350 0.003 0.000 0.264 1119 E C -0.622 175.848 176.600 -0.215 0.000 1.064 1119 E CA -0.897 55.333 56.400 -0.284 0.000 0.900 1119 E CB 1.549 31.061 29.700 -0.313 0.000 1.123 1119 E HN 0.124 nan 8.360 nan 0.000 0.418 1120 I N 2.591 123.006 120.570 -0.259 0.000 2.330 1120 I HA 0.295 4.466 4.170 0.003 0.000 0.289 1120 I C -0.127 175.804 176.117 -0.310 0.000 1.001 1120 I CA -0.569 60.599 61.300 -0.220 0.000 1.193 1120 I CB 0.347 38.291 38.000 -0.093 0.000 1.345 1120 I HN 0.550 nan 8.210 nan 0.000 0.461 1121 L N 4.665 125.564 121.223 -0.540 0.000 2.303 1121 L HA 0.586 4.928 4.340 0.003 0.000 0.266 1121 L C 0.412 176.976 176.870 -0.510 0.000 1.011 1121 L CA -0.818 53.682 54.840 -0.567 0.000 0.818 1121 L CB 1.858 43.473 42.059 -0.740 0.000 1.326 1121 L HN 0.424 nan 8.230 nan 0.000 0.435 1122 T N 0.595 115.029 114.554 -0.199 0.000 2.817 1122 T HA 0.312 4.663 4.350 0.003 0.000 0.293 1122 T C 0.171 175.011 174.700 0.233 0.000 0.964 1122 T CA -0.574 61.529 62.100 0.005 0.000 1.085 1122 T CB 0.545 69.428 68.868 0.025 0.000 0.921 1122 T HN 0.383 nan 8.240 nan 0.000 0.502 1123 R N 2.125 122.814 120.500 0.315 0.000 2.640 1123 R HA 0.198 4.540 4.340 0.003 0.000 0.270 1123 R C 0.942 177.363 176.300 0.202 0.000 1.024 1123 R CA -0.250 56.054 56.100 0.341 0.000 1.085 1123 R CB 0.242 30.680 30.300 0.230 0.000 0.963 1123 R HN 0.777 nan 8.270 nan 0.000 0.426 1124 S N 2.371 118.159 115.700 0.147 0.000 2.593 1124 S HA 0.184 4.656 4.470 0.003 0.000 0.269 1124 S C -0.009 174.635 174.600 0.073 0.000 1.334 1124 S CA -0.694 57.560 58.200 0.090 0.000 1.015 1124 S CB 0.996 64.230 63.200 0.056 0.000 0.912 1124 S HN 0.636 nan 8.310 nan 0.000 0.541 1125 K N -0.016 120.403 120.400 0.032 0.000 2.306 1125 K HA 0.369 4.690 4.320 0.003 0.000 0.236 1125 K C -0.964 175.579 176.600 -0.096 0.000 1.013 1125 K CA -1.069 55.210 56.287 -0.014 0.000 0.857 1125 K CB 0.485 32.986 32.500 0.001 0.000 1.214 1125 K HN 0.554 nan 8.250 nan 0.000 0.449 1126 Y N 2.348 122.379 120.300 -0.450 0.000 2.852 1126 Y HA -0.125 4.426 4.550 0.003 0.000 0.343 1126 Y C 0.340 176.116 175.900 -0.207 0.000 1.280 1126 Y CA 0.467 58.251 58.100 -0.527 0.000 1.604 1126 Y CB -0.024 37.986 38.460 -0.750 0.000 1.216 1126 Y HN 0.648 nan 8.280 nan 0.000 0.541 1127 N N 3.668 122.082 118.700 -0.478 0.000 2.290 1127 N HA -0.095 4.646 4.740 0.003 0.000 0.179 1127 N C 0.586 175.744 175.510 -0.587 0.000 1.016 1127 N CA 0.559 53.360 53.050 -0.415 0.000 0.871 1127 N CB 0.034 38.398 38.487 -0.205 0.000 0.987 1127 N HN 0.674 nan 8.380 nan 0.000 0.431 1128 Q N 0.668 119.903 119.800 -0.941 0.000 2.870 1128 Q HA 0.028 4.370 4.340 0.003 0.000 0.189 1128 Q C 0.132 175.783 176.000 -0.582 0.000 1.161 1128 Q CA 0.353 55.775 55.803 -0.636 0.000 1.248 1128 Q CB -0.047 28.462 28.738 -0.381 0.000 1.302 1128 Q HN 0.222 nan 8.270 nan 0.000 0.693 1129 N N -0.676 117.911 118.700 -0.189 0.000 2.622 1129 N HA 0.076 4.818 4.740 0.003 0.000 0.304 1129 N C -1.024 174.557 175.510 0.117 0.000 1.844 1129 N CA -0.013 53.020 53.050 -0.029 0.000 0.886 1129 N CB 0.567 39.028 38.487 -0.043 0.000 1.366 1129 N HN 0.343 nan 8.380 nan 0.000 0.491 1130 S N 1.060 116.945 115.700 0.309 0.000 2.549 1130 S HA 0.024 4.495 4.470 0.003 0.000 0.279 1130 S C 1.483 176.167 174.600 0.140 0.000 1.321 1130 S CA -0.350 57.989 58.200 0.232 0.000 1.054 1130 S CB 0.676 64.021 63.200 0.241 0.000 0.899 1130 S HN 0.445 nan 8.310 nan 0.000 0.497 1131 K N 4.304 124.718 120.400 0.023 0.000 2.487 1131 K HA -0.047 4.275 4.320 0.003 0.000 0.192 1131 K C 0.459 176.964 176.600 -0.160 0.000 1.027 1131 K CA 1.014 57.245 56.287 -0.094 0.000 1.054 1131 K CB -0.297 32.086 32.500 -0.195 0.000 0.824 1131 K HN 0.784 nan 8.250 nan 0.000 0.510 1132 Y N 1.590 121.852 120.300 -0.063 0.000 2.389 1132 Y HA 0.234 4.786 4.550 0.002 0.000 0.292 1132 Y C 1.532 177.329 175.900 -0.172 0.000 1.117 1132 Y CA -0.137 57.890 58.100 -0.123 0.000 1.195 1132 Y CB 0.397 38.751 38.460 -0.177 0.000 1.076 1132 Y HN 0.038 nan 8.280 nan 0.000 0.548 1133 I N -1.980 118.551 120.570 -0.064 0.000 2.957 1133 I HA 0.483 4.654 4.170 0.003 0.000 0.310 1133 I C -0.907 175.145 176.117 -0.108 0.000 1.063 1133 I CA -1.005 60.185 61.300 -0.184 0.000 1.033 1133 I CB 2.373 40.055 38.000 -0.530 0.000 1.230 1133 I HN -0.049 nan 8.210 nan 0.000 0.447 1134 N N 2.164 120.866 118.700 0.003 0.000 2.555 1134 N HA 0.448 5.189 4.740 0.003 0.000 0.265 1134 N C -2.178 173.454 175.510 0.203 0.000 1.135 1134 N CA -0.295 52.786 53.050 0.052 0.000 0.925 1134 N CB 2.740 41.286 38.487 0.100 0.000 1.662 1134 N HN 0.845 nan 8.380 nan 0.000 0.489 1135 Y N -0.437 119.983 120.300 0.200 0.000 2.732 1135 Y HA 0.544 5.096 4.550 0.003 0.000 0.342 1135 Y C -1.833 174.215 175.900 0.247 0.000 1.203 1135 Y CA -1.140 57.111 58.100 0.251 0.000 1.092 1135 Y CB 0.498 39.151 38.460 0.321 0.000 1.345 1135 Y HN 0.271 nan 8.280 nan 0.000 0.458 1136 R N 1.824 122.598 120.500 0.457 0.000 2.428 1136 R HA 0.310 4.651 4.340 0.003 0.000 0.294 1136 R C -0.976 175.596 176.300 0.454 0.000 1.000 1136 R CA -0.783 55.506 56.100 0.315 0.000 0.960 1136 R CB 0.899 31.335 30.300 0.226 0.000 1.076 1136 R HN 0.796 nan 8.270 nan 0.000 0.475 1137 D N 2.237 122.825 120.400 0.313 0.000 2.423 1137 D HA 0.008 4.650 4.640 0.003 0.000 0.238 1137 D C 1.180 177.479 176.300 -0.000 0.000 1.142 1137 D CA 0.229 54.377 54.000 0.247 0.000 0.884 1137 D CB 1.185 42.053 40.800 0.112 0.000 1.199 1137 D HN 0.357 nan 8.370 nan 0.000 0.438 1138 L N 0.824 121.921 121.223 -0.210 0.000 2.642 1138 L HA 0.041 4.383 4.340 0.003 0.000 0.233 1138 L C 0.336 176.944 176.870 -0.437 0.000 1.077 1138 L CA 0.098 54.668 54.840 -0.450 0.000 0.879 1138 L CB 0.240 41.779 42.059 -0.867 0.000 1.151 1138 L HN 0.308 nan 8.230 nan 0.000 0.495 1139 Y N 3.213 123.226 120.300 -0.479 0.000 2.832 1139 Y HA 0.459 5.010 4.550 0.003 0.000 0.372 1139 Y C 0.287 175.573 175.900 -1.024 0.000 1.238 1139 Y CA -1.512 55.884 58.100 -1.173 0.000 1.713 1139 Y CB -0.698 37.406 38.460 -0.594 0.000 1.809 1139 Y HN 0.037 nan 8.280 nan 0.000 0.472 1140 I N -2.351 117.828 120.570 -0.652 0.000 3.095 1140 I HA 1.006 5.178 4.170 0.003 0.000 0.310 1140 I C 0.406 176.410 176.117 -0.189 0.000 1.196 1140 I CA -1.252 59.807 61.300 -0.401 0.000 0.985 1140 I CB 2.283 39.910 38.000 -0.622 0.000 1.250 1140 I HN 0.349 nan 8.210 nan 0.000 0.446 1141 G N 1.999 110.706 108.800 -0.155 0.000 2.757 1141 G HA2 -0.091 3.870 3.960 0.003 0.000 0.638 1141 G HA3 -0.091 3.870 3.960 0.003 0.000 0.638 1141 G C -0.788 174.252 174.900 0.234 0.000 1.344 1141 G CA -0.712 44.509 45.100 0.201 0.000 0.855 1141 G HN 0.893 nan 8.290 nan 0.000 0.537 1142 E N 0.671 120.928 120.200 0.096 0.000 2.442 1142 E HA 0.142 4.494 4.350 0.003 0.000 0.262 1142 E C 0.564 177.066 176.600 -0.164 0.000 1.004 1142 E CA 0.383 56.679 56.400 -0.174 0.000 0.928 1142 E CB 0.441 29.711 29.700 -0.717 0.000 0.937 1142 E HN 0.472 nan 8.360 nan 0.000 0.446 1143 K N 3.237 123.560 120.400 -0.128 0.000 2.273 1143 K HA 0.232 4.553 4.320 0.003 0.000 0.287 1143 K C -0.279 176.292 176.600 -0.048 0.000 1.089 1143 K CA -0.156 56.051 56.287 -0.134 0.000 0.909 1143 K CB 0.213 32.681 32.500 -0.054 0.000 1.123 1143 K HN 0.213 nan 8.250 nan 0.000 0.473 1144 F N 2.387 122.398 119.950 0.101 0.000 2.380 1144 F HA 0.529 5.058 4.527 0.003 0.000 0.319 1144 F C 0.442 176.328 175.800 0.144 0.000 1.113 1144 F CA -0.935 57.165 58.000 0.166 0.000 1.056 1144 F CB 0.801 39.927 39.000 0.210 0.000 1.289 1144 F HN 0.340 nan 8.300 nan 0.000 0.515 1145 I N 1.544 122.290 120.570 0.293 0.000 2.680 1145 I HA 0.397 4.568 4.170 0.003 0.000 0.291 1145 I C -1.510 174.694 176.117 0.144 0.000 1.244 1145 I CA -0.424 60.972 61.300 0.160 0.000 1.042 1145 I CB 1.339 39.386 38.000 0.078 0.000 1.277 1145 I HN 0.380 nan 8.210 nan 0.000 0.423 1146 I N 7.006 127.639 120.570 0.105 0.000 2.365 1146 I HA 0.447 4.619 4.170 0.003 0.000 0.291 1146 I C -0.224 176.016 176.117 0.205 0.000 1.004 1146 I CA -0.676 60.670 61.300 0.077 0.000 1.311 1146 I CB 0.720 38.630 38.000 -0.150 0.000 1.401 1146 I HN 0.391 nan 8.210 nan 0.000 0.491 1147 R N 5.268 125.914 120.500 0.244 0.000 2.637 1147 R HA 0.445 4.787 4.340 0.003 0.000 0.291 1147 R C -0.369 176.049 176.300 0.196 0.000 0.963 1147 R CA -1.029 55.218 56.100 0.244 0.000 0.901 1147 R CB 1.699 32.129 30.300 0.216 0.000 1.160 1147 R HN 0.601 nan 8.270 nan 0.000 0.457 1148 R N 1.804 122.249 120.500 -0.092 0.000 2.491 1148 R HA -0.028 4.313 4.340 0.003 0.000 0.283 1148 R C 0.729 176.856 176.300 -0.288 0.000 1.072 1148 R CA 0.123 55.993 56.100 -0.383 0.000 1.048 1148 R CB 0.656 30.508 30.300 -0.746 0.000 0.983 1148 R HN 0.477 nan 8.270 nan 0.000 0.450 1149 K N 2.426 122.607 120.400 -0.365 0.000 2.103 1149 K HA 0.033 4.355 4.320 0.003 0.000 0.215 1149 K C -0.238 176.200 176.600 -0.270 0.000 1.027 1149 K CA 1.050 56.984 56.287 -0.588 0.000 0.953 1149 K CB -0.579 31.554 32.500 -0.611 0.000 0.904 1149 K HN 0.634 nan 8.250 nan 0.000 0.454 1150 S N 2.076 117.677 115.700 -0.165 0.000 2.593 1150 S HA -0.040 4.432 4.470 0.003 0.000 0.300 1150 S C 0.110 174.653 174.600 -0.096 0.000 1.267 1150 S CA 0.177 58.317 58.200 -0.100 0.000 1.065 1150 S CB -0.477 62.700 63.200 -0.040 0.000 0.807 1150 S HN 0.587 nan 8.310 nan 0.000 0.499 1151 N N 1.689 120.347 118.700 -0.071 0.000 2.584 1151 N HA -0.192 4.549 4.740 0.003 0.000 0.291 1151 N C -0.482 174.978 175.510 -0.083 0.000 1.203 1151 N CA 0.987 53.999 53.050 -0.062 0.000 0.735 1151 N CB -0.999 37.454 38.487 -0.056 0.000 0.936 1151 N HN 1.051 nan 8.380 nan 0.000 0.549 1152 S N 0.698 116.360 115.700 -0.065 0.000 2.835 1152 S HA 0.509 4.981 4.470 0.003 0.000 0.286 1152 S C 0.400 174.971 174.600 -0.048 0.000 1.194 1152 S CA -0.148 58.010 58.200 -0.070 0.000 1.031 1152 S CB 1.262 64.446 63.200 -0.027 0.000 1.216 1152 S HN 0.703 nan 8.310 nan 0.000 0.502 1153 Q N 1.439 121.202 119.800 -0.062 0.000 2.372 1153 Q HA 0.686 5.028 4.340 0.003 0.000 0.259 1153 Q C 0.471 176.444 176.000 -0.044 0.000 0.993 1153 Q CA -0.342 55.435 55.803 -0.044 0.000 0.854 1153 Q CB 0.722 29.435 28.738 -0.041 0.000 1.231 1153 Q HN 1.496 nan 8.270 nan 0.000 0.462 1154 S N 1.659 117.342 115.700 -0.029 0.000 3.427 1154 S HA -0.166 4.305 4.470 0.003 0.000 0.373 1154 S C 0.442 175.023 174.600 -0.032 0.000 0.973 1154 S CA 0.624 58.810 58.200 -0.023 0.000 1.218 1154 S CB -2.170 61.019 63.200 -0.019 0.000 0.912 1154 S HN 1.529 nan 8.310 nan 0.000 0.483 1155 I N -1.018 119.526 120.570 -0.043 0.000 2.792 1155 I HA 0.304 4.475 4.170 0.003 0.000 0.284 1155 I C 1.051 177.155 176.117 -0.022 0.000 1.166 1155 I CA 0.675 61.942 61.300 -0.056 0.000 1.375 1155 I CB -0.651 37.300 38.000 -0.081 0.000 1.421 1155 I HN 0.389 nan 8.210 nan 0.000 0.544 1156 N N 4.730 123.419 118.700 -0.019 0.000 2.348 1156 N HA 0.110 4.852 4.740 0.003 0.000 0.183 1156 N C 0.436 175.948 175.510 0.003 0.000 1.094 1156 N CA 0.408 53.455 53.050 -0.005 0.000 0.885 1156 N CB 0.288 38.770 38.487 -0.010 0.000 1.065 1156 N HN 0.875 nan 8.380 nan 0.000 0.472 1157 D N -2.650 117.755 120.400 0.008 0.000 2.926 1157 D HA 0.321 4.962 4.640 0.003 0.000 0.321 1157 D C -2.199 174.131 176.300 0.050 0.000 1.325 1157 D CA -0.288 53.733 54.000 0.034 0.000 0.735 1157 D CB 1.422 42.226 40.800 0.007 0.000 1.291 1157 D HN 0.221 nan 8.370 nan 0.000 0.445 1158 D N -0.939 119.515 120.400 0.090 0.000 3.122 1158 D HA 0.211 4.852 4.640 0.003 0.000 0.304 1158 D C -1.531 174.856 176.300 0.146 0.000 1.162 1158 D CA -0.461 53.604 54.000 0.107 0.000 0.715 1158 D CB 0.290 41.153 40.800 0.105 0.000 1.299 1158 D HN 0.268 nan 8.370 nan 0.000 0.465 1159 I N 1.144 121.772 120.570 0.097 0.000 2.353 1159 I HA 0.384 4.556 4.170 0.003 0.000 0.293 1159 I C 0.085 176.229 176.117 0.044 0.000 0.992 1159 I CA -0.960 60.340 61.300 -0.000 0.000 1.268 1159 I CB 1.559 39.504 38.000 -0.091 0.000 1.387 1159 I HN 0.108 nan 8.210 nan 0.000 0.478 1160 V N 7.426 127.229 119.914 -0.184 0.000 2.432 1160 V HA 0.337 4.458 4.120 0.003 0.000 0.271 1160 V C 0.362 176.388 176.094 -0.113 0.000 1.046 1160 V CA -0.418 61.693 62.300 -0.315 0.000 0.945 1160 V CB 0.576 32.026 31.823 -0.621 0.000 0.992 1160 V HN 0.695 nan 8.190 nan 0.000 0.471 1161 R N 3.050 123.519 120.500 -0.051 0.000 2.787 1161 R HA 0.511 4.852 4.340 0.003 0.000 0.271 1161 R C -0.436 175.794 176.300 -0.117 0.000 0.993 1161 R CA -1.132 54.934 56.100 -0.056 0.000 0.993 1161 R CB 1.875 32.162 30.300 -0.020 0.000 1.155 1161 R HN 0.589 nan 8.270 nan 0.000 0.486 1162 K N 2.316 122.628 120.400 -0.148 0.000 2.524 1162 K HA -0.115 4.207 4.320 0.003 0.000 0.279 1162 K C -0.037 176.452 176.600 -0.184 0.000 0.993 1162 K CA 0.552 56.729 56.287 -0.183 0.000 1.030 1162 K CB 0.229 32.613 32.500 -0.195 0.000 0.891 1162 K HN 0.590 nan 8.250 nan 0.000 0.488 1163 E N -0.416 119.640 120.200 -0.240 0.000 4.028 1163 E HA -0.187 4.164 4.350 0.003 0.000 0.343 1163 E C -0.749 175.621 176.600 -0.384 0.000 0.700 1163 E CA 0.980 57.202 56.400 -0.297 0.000 1.288 1163 E CB -1.485 28.093 29.700 -0.203 0.000 1.677 1163 E HN 0.701 nan 8.360 nan 0.000 0.424 1164 D N -0.121 120.117 120.400 -0.270 0.000 2.399 1164 D HA 0.160 4.802 4.640 0.003 0.000 0.241 1164 D C 0.093 176.189 176.300 -0.341 0.000 1.133 1164 D CA 0.373 54.260 54.000 -0.188 0.000 0.890 1164 D CB 0.192 40.987 40.800 -0.009 0.000 1.201 1164 D HN -0.006 nan 8.370 nan 0.000 0.432 1165 Y N 1.247 121.516 120.300 -0.052 0.000 2.326 1165 Y HA 0.367 4.918 4.550 0.003 0.000 0.337 1165 Y C 0.725 176.547 175.900 -0.130 0.000 1.023 1165 Y CA -0.603 57.435 58.100 -0.104 0.000 1.143 1165 Y CB 0.689 39.076 38.460 -0.121 0.000 1.183 1165 Y HN 0.197 nan 8.280 nan 0.000 0.485 1166 I N -0.918 119.630 120.570 -0.036 0.000 3.322 1166 I HA 0.624 4.795 4.170 0.003 0.000 0.313 1166 I C -1.874 174.176 176.117 -0.112 0.000 1.129 1166 I CA -1.378 59.883 61.300 -0.065 0.000 0.963 1166 I CB 2.888 40.901 38.000 0.023 0.000 1.273 1166 I HN 0.423 nan 8.210 nan 0.000 0.473 1167 Y N 1.678 122.003 120.300 0.042 0.000 2.361 1167 Y HA 0.553 5.104 4.550 0.003 0.000 0.337 1167 Y C -0.875 175.027 175.900 0.004 0.000 0.965 1167 Y CA -1.069 57.028 58.100 -0.005 0.000 1.091 1167 Y CB 2.424 40.879 38.460 -0.010 0.000 1.182 1167 Y HN 0.385 nan 8.280 nan 0.000 0.450 1168 L N 5.222 126.540 121.223 0.158 0.000 2.264 1168 L HA 0.456 4.798 4.340 0.003 0.000 0.287 1168 L C -0.981 176.022 176.870 0.223 0.000 1.039 1168 L CA -0.012 54.933 54.840 0.175 0.000 0.829 1168 L CB -0.115 42.028 42.059 0.140 0.000 1.211 1168 L HN 0.552 nan 8.230 nan 0.000 0.427 1169 D N 4.084 124.608 120.400 0.206 0.000 2.506 1169 D HA 0.678 5.320 4.640 0.003 0.000 0.254 1169 D C -0.910 175.503 176.300 0.189 0.000 1.089 1169 D CA 0.232 54.295 54.000 0.105 0.000 1.050 1169 D CB 1.618 42.340 40.800 -0.129 0.000 1.221 1169 D HN 0.316 nan 8.370 nan 0.000 0.589 1170 F N -1.845 117.948 119.950 -0.262 0.000 2.678 1170 F HA 0.580 5.109 4.527 0.003 0.000 0.308 1170 F C -1.799 173.689 175.800 -0.519 0.000 1.118 1170 F CA -1.411 56.301 58.000 -0.481 0.000 0.959 1170 F CB 0.499 39.036 39.000 -0.771 0.000 1.305 1170 F HN 0.018 nan 8.300 nan 0.000 0.443 1171 F N 2.307 122.146 119.950 -0.185 0.000 2.420 1171 F HA 0.350 4.879 4.527 0.003 0.000 0.352 1171 F C 0.548 176.180 175.800 -0.281 0.000 1.108 1171 F CA -0.339 57.511 58.000 -0.250 0.000 1.162 1171 F CB 0.852 39.770 39.000 -0.138 0.000 1.118 1171 F HN 0.574 nan 8.300 nan 0.000 0.510 1172 N N 5.016 123.509 118.700 -0.345 0.000 2.816 1172 N HA 0.260 5.002 4.740 0.003 0.000 0.236 1172 N C -0.932 174.431 175.510 -0.245 0.000 1.076 1172 N CA -0.450 52.317 53.050 -0.472 0.000 0.902 1172 N CB -0.016 37.673 38.487 -1.330 0.000 1.149 1172 N HN 0.538 nan 8.380 nan 0.000 0.506 1173 L N 2.508 123.675 121.223 -0.095 0.000 3.755 1173 L HA -0.371 3.970 4.340 0.003 0.000 0.587 1173 L C 0.842 177.704 176.870 -0.015 0.000 1.235 1173 L CA 0.841 55.652 54.840 -0.049 0.000 0.876 1173 L CB -2.341 39.684 42.059 -0.058 0.000 1.431 1173 L HN 0.770 nan 8.230 nan 0.000 0.840 1174 N N -2.818 115.889 118.700 0.012 0.000 2.884 1174 N HA -0.248 4.493 4.740 0.003 0.000 0.210 1174 N C 0.326 175.928 175.510 0.153 0.000 0.941 1174 N CA 1.497 54.564 53.050 0.030 0.000 1.131 1174 N CB -0.355 38.133 38.487 0.001 0.000 0.965 1174 N HN 0.772 nan 8.380 nan 0.000 0.591 1175 Q N 1.382 121.260 119.800 0.130 0.000 2.259 1175 Q HA 0.317 4.659 4.340 0.003 0.000 0.249 1175 Q C -0.482 175.604 176.000 0.142 0.000 0.914 1175 Q CA -0.021 55.885 55.803 0.171 0.000 0.904 1175 Q CB 1.464 30.338 28.738 0.227 0.000 1.213 1175 Q HN 0.151 nan 8.270 nan 0.000 0.428 1176 E N 2.369 122.628 120.200 0.098 0.000 2.046 1176 E HA 0.105 4.456 4.350 0.003 0.000 0.279 1176 E C -1.181 175.369 176.600 -0.084 0.000 0.989 1176 E CA -0.429 55.851 56.400 -0.201 0.000 0.798 1176 E CB 0.551 30.110 29.700 -0.235 0.000 1.086 1176 E HN 0.376 nan 8.360 nan 0.000 0.399 1177 W N 2.692 123.565 121.300 -0.711 0.000 2.353 1177 W HA 0.470 5.132 4.660 0.002 0.000 0.377 1177 W C 0.457 176.650 176.519 -0.542 0.000 1.375 1177 W CA -0.732 56.222 57.345 -0.651 0.000 1.503 1177 W CB 0.651 29.545 29.460 -0.942 0.000 1.345 1177 W HN 0.424 nan 8.180 nan 0.000 0.683 1178 R N -0.057 120.416 120.500 -0.046 0.000 2.837 1178 R HA 0.687 5.029 4.340 0.003 0.000 0.271 1178 R C -1.783 174.500 176.300 -0.028 0.000 0.993 1178 R CA -0.682 55.337 56.100 -0.134 0.000 0.931 1178 R CB 1.768 31.772 30.300 -0.494 0.000 1.206 1178 R HN 0.236 nan 8.270 nan 0.000 0.474 1179 V N 3.606 123.486 119.914 -0.056 0.000 2.407 1179 V HA 0.449 4.571 4.120 0.003 0.000 0.278 1179 V C -0.982 175.047 176.094 -0.109 0.000 1.037 1179 V CA -0.259 62.112 62.300 0.119 0.000 0.900 1179 V CB 0.805 32.817 31.823 0.314 0.000 0.983 1179 V HN 0.632 nan 8.190 nan 0.000 0.459 1180 Y N 1.569 121.929 120.300 0.100 0.000 2.665 1180 Y HA 0.725 5.276 4.550 0.003 0.000 0.336 1180 Y C 0.347 176.118 175.900 -0.215 0.000 1.085 1180 Y CA -0.919 57.127 58.100 -0.090 0.000 1.096 1180 Y CB 2.311 40.413 38.460 -0.596 0.000 1.301 1180 Y HN 0.494 nan 8.280 nan 0.000 0.493 1181 T N -0.207 114.167 114.554 -0.300 0.000 2.893 1181 T HA 0.477 4.829 4.350 0.003 0.000 0.293 1181 T C -1.586 173.033 174.700 -0.136 0.000 1.027 1181 T CA -0.538 61.335 62.100 -0.378 0.000 0.988 1181 T CB 0.381 68.725 68.868 -0.873 0.000 1.043 1181 T HN 0.382 nan 8.240 nan 0.000 0.461 1182 Y N 2.981 123.204 120.300 -0.128 0.000 2.411 1182 Y HA 0.284 4.835 4.550 0.003 0.000 0.333 1182 Y C 1.894 177.727 175.900 -0.112 0.000 1.186 1182 Y CA -0.010 58.039 58.100 -0.085 0.000 1.381 1182 Y CB 0.888 39.317 38.460 -0.051 0.000 1.273 1182 Y HN 0.659 nan 8.280 nan 0.000 0.546 1183 K N 2.196 122.380 120.400 -0.360 0.000 2.442 1183 K HA -0.091 4.231 4.320 0.003 0.000 0.198 1183 K C -1.002 175.315 176.600 -0.471 0.000 1.042 1183 K CA 1.005 56.828 56.287 -0.773 0.000 0.958 1183 K CB -0.011 31.623 32.500 -1.443 0.000 0.766 1183 K HN 0.454 nan 8.250 nan 0.000 0.474 1184 Y N 0.405 120.854 120.300 0.247 0.000 2.354 1184 Y HA 0.335 4.886 4.550 0.003 0.000 0.330 1184 Y C -0.668 175.443 175.900 0.352 0.000 1.011 1184 Y CA -1.969 56.263 58.100 0.219 0.000 1.099 1184 Y CB 1.120 39.634 38.460 0.089 0.000 1.179 1184 Y HN -0.059 nan 8.280 nan 0.000 0.442 1185 F N -0.367 119.695 119.950 0.185 0.000 2.654 1185 F HA 0.604 5.132 4.527 0.002 0.000 0.314 1185 F C -0.462 175.387 175.800 0.082 0.000 1.116 1185 F CA -1.630 56.427 58.000 0.096 0.000 1.017 1185 F CB 1.369 40.414 39.000 0.075 0.000 1.285 1185 F HN 0.259 nan 8.300 nan 0.000 0.448 1186 K N 1.478 121.925 120.400 0.078 0.000 2.352 1186 K HA 0.195 4.516 4.320 0.003 0.000 0.194 1186 K C 0.132 176.741 176.600 0.015 0.000 1.038 1186 K CA 0.035 56.311 56.287 -0.018 0.000 1.023 1186 K CB 0.294 32.796 32.500 0.004 0.000 0.840 1186 K HN 0.553 nan 8.250 nan 0.000 0.519 1187 K N 1.231 121.705 120.400 0.124 0.000 2.180 1187 K HA -0.027 4.295 4.320 0.003 0.000 0.251 1187 K C 0.878 177.538 176.600 0.100 0.000 1.014 1187 K CA -0.077 56.272 56.287 0.104 0.000 0.913 1187 K CB 0.644 33.222 32.500 0.132 0.000 1.008 1187 K HN -0.130 nan 8.250 nan 0.000 0.490 1188 E N 1.458 121.663 120.200 0.008 0.000 2.204 1188 E HA -0.165 4.186 4.350 0.003 0.000 0.195 1188 E C -0.290 176.333 176.600 0.037 0.000 0.990 1188 E CA 1.305 57.695 56.400 -0.016 0.000 0.821 1188 E CB 0.291 29.919 29.700 -0.119 0.000 0.750 1188 E HN 0.496 nan 8.360 nan 0.000 0.477 1189 E N -0.291 119.911 120.200 0.004 0.000 2.390 1189 E HA 0.364 4.716 4.350 0.003 0.000 0.277 1189 E C -0.771 175.934 176.600 0.174 0.000 0.939 1189 E CA -0.848 55.571 56.400 0.032 0.000 0.769 1189 E CB 1.432 30.917 29.700 -0.359 0.000 1.251 1189 E HN 0.129 nan 8.360 nan 0.000 0.450 1190 E N 0.689 120.976 120.200 0.145 0.000 2.446 1190 E HA 0.511 4.863 4.350 0.003 0.000 0.276 1190 E C -1.183 175.459 176.600 0.069 0.000 0.969 1190 E CA -1.034 55.441 56.400 0.126 0.000 0.800 1190 E CB 1.459 31.055 29.700 -0.174 0.000 1.341 1190 E HN 0.299 nan 8.360 nan 0.000 0.460 1191 K N 1.121 121.461 120.400 -0.099 0.000 2.249 1191 K HA 0.301 4.623 4.320 0.003 0.000 0.280 1191 K C -0.157 176.433 176.600 -0.016 0.000 1.033 1191 K CA -0.466 55.750 56.287 -0.119 0.000 0.946 1191 K CB 0.585 32.912 32.500 -0.288 0.000 1.005 1191 K HN 0.370 nan 8.250 nan 0.000 0.469 1192 L N 2.627 123.850 121.223 -0.000 0.000 2.467 1192 L HA 0.124 4.466 4.340 0.003 0.000 0.270 1192 L C 0.044 177.048 176.870 0.224 0.000 1.205 1192 L CA -0.155 54.691 54.840 0.009 0.000 0.828 1192 L CB 0.092 42.019 42.059 -0.221 0.000 1.101 1192 L HN 0.515 nan 8.230 nan 0.000 0.479 1193 F N 2.969 123.000 119.950 0.134 0.000 2.361 1193 F HA 0.420 4.948 4.527 0.002 0.000 0.364 1193 F C -0.724 175.255 175.800 0.298 0.000 1.117 1193 F CA -0.726 57.411 58.000 0.229 0.000 1.071 1193 F CB 0.797 39.918 39.000 0.202 0.000 1.188 1193 F HN 0.080 nan 8.300 nan 0.000 0.464 1194 L N 6.331 127.459 121.223 -0.157 0.000 2.264 1194 L HA 0.804 5.146 4.340 0.003 0.000 0.289 1194 L C -0.115 176.713 176.870 -0.070 0.000 1.044 1194 L CA -0.315 54.612 54.840 0.144 0.000 0.807 1194 L CB 0.743 43.015 42.059 0.354 0.000 1.192 1194 L HN 0.791 nan 8.230 nan 0.000 0.425 1195 A N 4.509 127.372 122.820 0.072 0.000 2.564 1195 A HA 0.863 5.185 4.320 0.003 0.000 0.291 1195 A C -2.957 174.253 177.584 -0.624 0.000 1.102 1195 A CA -1.226 50.548 52.037 -0.438 0.000 0.660 1195 A CB 0.884 19.632 19.000 -0.421 0.000 1.283 1195 A HN 0.420 nan 8.150 nan 0.000 0.430 1196 P HA 0.250 nan 4.420 nan 0.000 0.270 1196 P C -0.549 176.587 177.300 -0.273 0.000 1.227 1196 P CA 0.055 62.605 63.100 -0.916 0.000 0.788 1196 P CB 0.237 31.487 31.700 -0.749 0.000 0.926 1197 I N 1.143 121.604 120.570 -0.182 0.000 2.483 1197 I HA 0.082 4.254 4.170 0.003 0.000 0.291 1197 I C 0.906 177.015 176.117 -0.012 0.000 1.112 1197 I CA 0.965 62.234 61.300 -0.053 0.000 1.350 1197 I CB -0.409 37.530 38.000 -0.103 0.000 1.419 1197 I HN 0.275 nan 8.210 nan 0.000 0.523 1198 S N 3.865 119.620 115.700 0.091 0.000 2.661 1198 S HA 0.297 4.768 4.470 0.003 0.000 0.285 1198 S C -0.106 174.573 174.600 0.132 0.000 1.138 1198 S CA -0.708 57.533 58.200 0.069 0.000 0.855 1198 S CB 1.947 65.174 63.200 0.044 0.000 1.136 1198 S HN 0.645 nan 8.310 nan 0.000 0.484 1199 D N 1.239 121.683 120.400 0.074 0.000 2.368 1199 D HA 0.222 4.864 4.640 0.003 0.000 0.218 1199 D C 0.479 176.803 176.300 0.039 0.000 1.112 1199 D CA 0.063 54.112 54.000 0.081 0.000 0.834 1199 D CB 0.215 41.038 40.800 0.039 0.000 0.953 1199 D HN 0.445 nan 8.370 nan 0.000 0.505 1200 S N -0.020 115.667 115.700 -0.022 0.000 2.593 1200 S HA -0.180 4.292 4.470 0.003 0.000 0.303 1200 S C 0.864 175.293 174.600 -0.286 0.000 1.267 1200 S CA 0.085 58.107 58.200 -0.296 0.000 1.047 1200 S CB 0.558 63.264 63.200 -0.825 0.000 0.777 1200 S HN 0.230 nan 8.310 nan 0.000 0.498 1201 D N 1.711 121.934 120.400 -0.296 0.000 2.328 1201 D HA 0.137 4.779 4.640 0.003 0.000 0.221 1201 D C 1.034 177.132 176.300 -0.337 0.000 1.072 1201 D CA 0.077 53.947 54.000 -0.216 0.000 0.850 1201 D CB 0.163 40.887 40.800 -0.127 0.000 0.922 1201 D HN 0.558 nan 8.370 nan 0.000 0.516 1202 E N -0.475 119.361 120.200 -0.606 0.000 2.478 1202 E HA 0.110 4.462 4.350 0.003 0.000 0.194 1202 E C 0.234 176.413 176.600 -0.703 0.000 1.045 1202 E CA 0.142 56.156 56.400 -0.644 0.000 0.868 1202 E CB 0.277 29.530 29.700 -0.745 0.000 0.885 1202 E HN 0.468 nan 8.360 nan 0.000 0.505 1203 F N -2.474 117.160 119.950 -0.527 0.000 2.668 1203 F HA 0.502 5.031 4.527 0.003 0.000 0.309 1203 F C -0.834 174.784 175.800 -0.304 0.000 1.117 1203 F CA -1.801 55.858 58.000 -0.567 0.000 0.951 1203 F CB 0.708 39.290 39.000 -0.697 0.000 1.323 1203 F HN -0.351 nan 8.300 nan 0.000 0.451 1204 Y N 1.909 122.321 120.300 0.187 0.000 2.299 1204 Y HA 0.256 4.808 4.550 0.003 0.000 0.326 1204 Y C 0.666 176.769 175.900 0.338 0.000 1.164 1204 Y CA -0.711 57.520 58.100 0.219 0.000 1.234 1204 Y CB 1.072 39.621 38.460 0.148 0.000 1.219 1204 Y HN 0.680 nan 8.280 nan 0.000 0.497 1205 N N -2.276 116.775 118.700 0.584 0.000 2.145 1205 N HA 0.073 4.814 4.740 0.003 0.000 0.219 1205 N C -0.531 175.262 175.510 0.472 0.000 1.266 1205 N CA -0.101 53.207 53.050 0.429 0.000 0.902 1205 N CB 0.257 38.903 38.487 0.264 0.000 1.078 1205 N HN 0.316 nan 8.380 nan 0.000 0.513 1206 T N 1.744 116.583 114.554 0.476 0.000 2.743 1206 T HA 0.486 4.838 4.350 0.003 0.000 0.293 1206 T C -0.140 174.638 174.700 0.130 0.000 0.945 1206 T CA -0.265 62.021 62.100 0.309 0.000 1.030 1206 T CB 0.863 69.869 68.868 0.230 0.000 0.912 1206 T HN 0.096 nan 8.240 nan 0.000 0.483 1207 I N 2.765 123.311 120.570 -0.040 0.000 2.530 1207 I HA 0.407 4.578 4.170 0.003 0.000 0.297 1207 I C 0.102 176.141 176.117 -0.131 0.000 1.011 1207 I CA -0.896 60.241 61.300 -0.271 0.000 1.107 1207 I CB 2.116 39.855 38.000 -0.435 0.000 1.285 1207 I HN 0.440 nan 8.210 nan 0.000 0.436 1208 Q N 5.943 125.631 119.800 -0.186 0.000 2.333 1208 Q HA 0.492 4.833 4.340 0.003 0.000 0.265 1208 Q C -1.169 174.670 176.000 -0.269 0.000 0.989 1208 Q CA -0.700 54.903 55.803 -0.334 0.000 0.842 1208 Q CB 2.107 30.595 28.738 -0.416 0.000 1.262 1208 Q HN 0.677 nan 8.270 nan 0.000 0.451 1209 I N 4.565 124.974 120.570 -0.268 0.000 2.416 1209 I HA 0.230 4.402 4.170 0.003 0.000 0.288 1209 I C -0.798 175.170 176.117 -0.248 0.000 1.051 1209 I CA -0.048 61.128 61.300 -0.207 0.000 1.375 1209 I CB 0.156 38.043 38.000 -0.188 0.000 1.407 1209 I HN 0.588 nan 8.210 nan 0.000 0.516 1210 K N 5.513 125.759 120.400 -0.256 0.000 2.331 1210 K HA 0.538 4.860 4.320 0.003 0.000 0.238 1210 K C -1.211 175.161 176.600 -0.380 0.000 1.058 1210 K CA -0.904 55.144 56.287 -0.397 0.000 0.871 1210 K CB 1.387 33.485 32.500 -0.670 0.000 1.292 1210 K HN 0.358 nan 8.250 nan 0.000 0.470 1211 E N 0.452 120.355 120.200 -0.495 0.000 2.502 1211 E HA 0.225 4.577 4.350 0.003 0.000 0.261 1211 E C -1.009 175.305 176.600 -0.476 0.000 0.974 1211 E CA -0.115 56.060 56.400 -0.375 0.000 0.795 1211 E CB 0.189 29.742 29.700 -0.244 0.000 1.385 1211 E HN 0.496 nan 8.360 nan 0.000 0.400 1212 Y N 0.892 120.952 120.300 -0.401 0.000 2.490 1212 Y HA 0.174 4.726 4.550 0.002 0.000 0.285 1212 Y C 0.795 176.213 175.900 -0.804 0.000 1.117 1212 Y CA 0.157 57.909 58.100 -0.581 0.000 1.262 1212 Y CB 0.370 38.419 38.460 -0.685 0.000 1.043 1212 Y HN 0.420 nan 8.280 nan 0.000 0.553 1213 D N 1.015 121.005 120.400 -0.683 0.000 2.390 1213 D HA -0.018 4.624 4.640 0.003 0.000 0.249 1213 D C 0.579 176.810 176.300 -0.115 0.000 1.144 1213 D CA 0.378 54.166 54.000 -0.353 0.000 0.880 1213 D CB 0.906 41.663 40.800 -0.072 0.000 1.182 1213 D HN 0.369 nan 8.370 nan 0.000 0.451 1214 E N 1.539 121.730 120.200 -0.014 0.000 2.385 1214 E HA -0.032 4.319 4.350 0.003 0.000 0.194 1214 E C 0.212 176.824 176.600 0.021 0.000 1.013 1214 E CA 0.192 56.596 56.400 0.006 0.000 0.866 1214 E CB 0.423 30.139 29.700 0.027 0.000 0.832 1214 E HN 0.472 nan 8.360 nan 0.000 0.500 1215 Q N 0.510 120.336 119.800 0.043 0.000 2.215 1215 Q HA 0.324 4.666 4.340 0.003 0.000 0.256 1215 Q C -2.421 173.591 176.000 0.020 0.000 0.972 1215 Q CA -2.558 53.272 55.803 0.045 0.000 0.889 1215 Q CB 0.237 29.024 28.738 0.083 0.000 1.281 1215 Q HN -0.101 nan 8.270 nan 0.000 0.456 1216 P HA 0.027 nan 4.420 nan 0.000 0.262 1216 P C -0.504 176.778 177.300 -0.030 0.000 1.182 1216 P CA 0.689 63.745 63.100 -0.074 0.000 0.761 1216 P CB 0.509 32.042 31.700 -0.277 0.000 0.795 1217 T N 2.266 116.800 114.554 -0.033 0.000 2.786 1217 T HA 0.378 4.729 4.350 0.003 0.000 0.316 1217 T C -0.744 174.015 174.700 0.098 0.000 1.503 1217 T CA -0.308 61.762 62.100 -0.050 0.000 1.019 1217 T CB 0.464 69.349 68.868 0.028 0.000 1.415 1217 T HN 0.046 nan 8.240 nan 0.000 0.496 1218 Y N 0.765 121.075 120.300 0.017 0.000 2.467 1218 Y HA 0.480 5.031 4.550 0.003 0.000 0.250 1218 Y C 1.415 177.338 175.900 0.037 0.000 1.155 1218 Y CA -0.761 57.341 58.100 0.004 0.000 1.249 1218 Y CB 0.050 38.484 38.460 -0.044 0.000 1.146 1218 Y HN 0.361 nan 8.280 nan 0.000 0.524 1219 S N 0.485 116.298 115.700 0.188 0.000 2.610 1219 S HA 0.535 5.006 4.470 0.003 0.000 0.273 1219 S C 0.198 174.875 174.600 0.129 0.000 1.274 1219 S CA -0.494 57.806 58.200 0.168 0.000 1.023 1219 S CB 1.187 64.474 63.200 0.146 0.000 0.962 1219 S HN 0.403 nan 8.310 nan 0.000 0.523 1220 C N 1.436 120.828 119.300 0.153 0.000 3.213 1220 C HA 0.882 5.343 4.460 0.003 0.000 0.319 1220 C C -1.518 173.564 174.990 0.154 0.000 1.386 1220 C CA -0.995 58.082 59.018 0.098 0.000 1.494 1220 C CB 0.667 28.465 27.740 0.096 0.000 1.905 1220 C HN 0.688 nan 8.230 nan 0.000 0.456 1221 Q N 0.296 120.147 119.800 0.084 0.000 2.413 1221 Q HA 0.818 5.160 4.340 0.003 0.000 0.276 1221 Q C -1.316 174.738 176.000 0.090 0.000 1.099 1221 Q CA -0.356 55.548 55.803 0.169 0.000 0.814 1221 Q CB 1.797 30.691 28.738 0.261 0.000 1.379 1221 Q HN 0.725 nan 8.270 nan 0.000 0.436 1222 L N 2.148 123.442 121.223 0.119 0.000 2.319 1222 L HA 0.581 4.923 4.340 0.003 0.000 0.281 1222 L C -1.176 175.694 176.870 -0.000 0.000 1.005 1222 L CA -0.861 53.969 54.840 -0.017 0.000 0.828 1222 L CB 1.066 43.064 42.059 -0.102 0.000 1.227 1222 L HN 0.389 nan 8.230 nan 0.000 0.415 1223 L N 3.154 124.348 121.223 -0.049 0.000 2.329 1223 L HA 0.611 4.952 4.340 0.003 0.000 0.279 1223 L C -1.217 175.619 176.870 -0.057 0.000 1.014 1223 L CA 0.124 54.987 54.840 0.038 0.000 0.814 1223 L CB 1.401 43.525 42.059 0.107 0.000 1.257 1223 L HN 0.223 nan 8.230 nan 0.000 0.424 1224 F N 4.545 124.555 119.950 0.099 0.000 2.404 1224 F HA 0.530 5.059 4.527 0.003 0.000 0.354 1224 F C 0.360 176.160 175.800 0.000 0.000 1.122 1224 F CA -0.297 57.741 58.000 0.063 0.000 1.080 1224 F CB 1.244 40.304 39.000 0.099 0.000 1.131 1224 F HN 0.374 nan 8.300 nan 0.000 0.471 1225 K N 2.175 122.647 120.400 0.119 0.000 2.295 1225 K HA 0.271 4.592 4.320 0.003 0.000 0.239 1225 K C 0.844 177.305 176.600 -0.232 0.000 0.991 1225 K CA -1.107 55.179 56.287 -0.000 0.000 0.845 1225 K CB 1.966 34.509 32.500 0.071 0.000 1.197 1225 K HN 0.333 nan 8.250 nan 0.000 0.441 1226 K N 0.914 121.167 120.400 -0.244 0.000 2.074 1226 K HA -0.176 4.146 4.320 0.003 0.000 0.209 1226 K C 0.036 176.541 176.600 -0.158 0.000 1.048 1226 K CA 2.062 58.158 56.287 -0.318 0.000 0.926 1226 K CB 0.080 32.542 32.500 -0.064 0.000 0.713 1226 K HN 0.693 nan 8.250 nan 0.000 0.444 1227 D N -2.822 117.539 120.400 -0.065 0.000 2.738 1227 D HA 0.118 4.760 4.640 0.003 0.000 0.308 1227 D C 0.146 176.401 176.300 -0.074 0.000 1.311 1227 D CA -0.345 53.629 54.000 -0.043 0.000 0.799 1227 D CB 0.576 41.365 40.800 -0.018 0.000 1.332 1227 D HN -0.073 nan 8.370 nan 0.000 0.441 1228 E N -0.016 120.049 120.200 -0.226 0.000 2.051 1228 E HA -0.138 4.214 4.350 0.003 0.000 0.192 1228 E C 1.034 177.564 176.600 -0.116 0.000 0.991 1228 E CA 1.087 57.235 56.400 -0.419 0.000 0.799 1228 E CB 0.250 29.477 29.700 -0.789 0.000 0.748 1228 E HN 0.415 nan 8.360 nan 0.000 0.449 1229 E N 0.869 121.018 120.200 -0.085 0.000 2.285 1229 E HA -0.036 4.315 4.350 0.003 0.000 0.194 1229 E C 0.666 177.270 176.600 0.007 0.000 0.997 1229 E CA 0.192 56.578 56.400 -0.023 0.000 0.845 1229 E CB 0.244 29.929 29.700 -0.026 0.000 0.782 1229 E HN 0.106 nan 8.360 nan 0.000 0.491 1230 S N 0.054 115.758 115.700 0.006 0.000 2.593 1230 S HA 0.074 4.546 4.470 0.003 0.000 0.269 1230 S C 0.929 175.551 174.600 0.037 0.000 1.334 1230 S CA -0.041 58.172 58.200 0.020 0.000 1.015 1230 S CB 1.426 64.635 63.200 0.015 0.000 0.912 1230 S HN 0.130 nan 8.310 nan 0.000 0.541 1231 T N -2.719 111.857 114.554 0.037 0.000 3.129 1231 T HA 0.182 4.534 4.350 0.003 0.000 0.267 1231 T C -0.169 174.558 174.700 0.045 0.000 1.018 1231 T CA -0.276 61.852 62.100 0.046 0.000 0.903 1231 T CB -0.293 68.599 68.868 0.040 0.000 1.067 1231 T HN 0.604 nan 8.240 nan 0.000 0.549 1232 D N 2.761 123.184 120.400 0.038 0.000 2.374 1232 D HA 0.118 4.760 4.640 0.003 0.000 0.240 1232 D C -0.181 176.142 176.300 0.039 0.000 1.229 1232 D CA -0.217 53.806 54.000 0.038 0.000 0.895 1232 D CB 0.479 41.300 40.800 0.036 0.000 1.046 1232 D HN 0.465 nan 8.370 nan 0.000 0.498 1233 E N 4.409 124.646 120.200 0.062 0.000 2.259 1233 E HA 0.087 4.438 4.350 0.003 0.000 0.281 1233 E C 1.020 177.685 176.600 0.107 0.000 1.037 1233 E CA -0.706 55.747 56.400 0.089 0.000 0.854 1233 E CB 1.665 31.430 29.700 0.109 0.000 1.051 1233 E HN 0.442 nan 8.360 nan 0.000 0.409 1234 I N 1.495 122.145 120.570 0.132 0.000 2.235 1234 I HA 0.060 4.231 4.170 0.003 0.000 0.241 1234 I C 1.209 177.501 176.117 0.292 0.000 1.085 1234 I CA 1.152 62.572 61.300 0.200 0.000 1.378 1234 I CB -1.088 37.042 38.000 0.217 0.000 1.076 1234 I HN 0.674 nan 8.210 nan 0.000 0.415 1235 G N 0.159 109.159 108.800 0.332 0.000 2.322 1235 G HA2 0.453 4.415 3.960 0.003 0.000 0.295 1235 G HA3 0.453 4.415 3.960 0.003 0.000 0.295 1235 G C -1.711 173.425 174.900 0.394 0.000 1.369 1235 G CA -0.757 44.560 45.100 0.362 0.000 0.821 1235 G HN -0.002 nan 8.290 nan 0.000 0.536 1236 L N 0.550 122.027 121.223 0.423 0.000 2.334 1236 L HA 0.553 4.894 4.340 0.003 0.000 0.276 1236 L C 0.332 177.484 176.870 0.472 0.000 1.014 1236 L CA -0.978 54.107 54.840 0.408 0.000 0.815 1236 L CB 1.903 44.171 42.059 0.349 0.000 1.268 1236 L HN 0.398 nan 8.230 nan 0.000 0.428 1237 I N 1.875 122.658 120.570 0.356 0.000 2.556 1237 I HA 0.316 4.488 4.170 0.003 0.000 0.284 1237 I C 0.825 177.304 176.117 0.603 0.000 1.114 1237 I CA 0.480 61.979 61.300 0.332 0.000 1.418 1237 I CB 0.704 38.744 38.000 0.066 0.000 1.394 1237 I HN 0.783 nan 8.210 nan 0.000 0.552 1238 G N 6.563 115.783 108.800 0.700 0.000 2.677 1238 G HA2 0.631 4.593 3.960 0.003 0.000 0.283 1238 G HA3 0.631 4.593 3.960 0.003 0.000 0.283 1238 G C -1.358 174.003 174.900 0.768 0.000 1.221 1238 G CA -0.555 45.025 45.100 0.799 0.000 0.851 1238 G HN 0.406 nan 8.290 nan 0.000 0.504 1239 I N 0.297 121.208 120.570 0.568 0.000 2.582 1239 I HA 0.508 4.680 4.170 0.003 0.000 0.292 1239 I C -1.242 175.123 176.117 0.414 0.000 1.066 1239 I CA -0.704 60.873 61.300 0.461 0.000 1.053 1239 I CB 2.535 40.690 38.000 0.258 0.000 1.241 1239 I HN 0.648 nan 8.210 nan 0.000 0.421 1240 H N 5.001 124.242 119.070 0.285 0.000 2.865 1240 H HA 0.397 4.954 4.556 0.003 0.000 0.362 1240 H C -0.993 174.422 175.328 0.145 0.000 1.114 1240 H CA -0.830 55.266 56.048 0.079 0.000 1.208 1240 H CB 1.824 31.491 29.762 -0.158 0.000 1.727 1240 H HN 0.481 nan 8.280 nan 0.000 0.534 1241 R N 5.138 125.276 120.500 -0.602 0.000 2.248 1241 R HA 0.230 4.572 4.340 0.003 0.000 0.337 1241 R C -0.899 175.020 176.300 -0.635 0.000 1.106 1241 R CA -0.265 55.635 56.100 -0.334 0.000 0.959 1241 R CB -0.296 29.874 30.300 -0.217 0.000 1.075 1241 R HN 0.259 nan 8.270 nan 0.000 0.480 1242 F N 3.075 122.795 119.950 -0.383 0.000 2.368 1242 F HA 0.233 4.761 4.527 0.003 0.000 0.308 1242 F C -0.053 175.436 175.800 -0.518 0.000 1.198 1242 F CA -0.209 57.402 58.000 -0.649 0.000 1.130 1242 F CB 0.463 39.255 39.000 -0.346 0.000 1.300 1242 F HN 0.333 nan 8.300 nan 0.000 0.537 1243 Y N -0.438 119.928 120.300 0.111 0.000 2.388 1243 Y HA 0.380 4.932 4.550 0.002 0.000 0.328 1243 Y C -0.212 175.785 175.900 0.162 0.000 0.963 1243 Y CA -1.422 56.737 58.100 0.099 0.000 1.240 1243 Y CB 0.379 38.802 38.460 -0.062 0.000 1.118 1243 Y HN 0.498 nan 8.280 nan 0.000 0.484 1244 E N 1.699 122.051 120.200 0.253 0.000 1.979 1244 E HA 0.205 4.556 4.350 0.003 0.000 0.285 1244 E C -0.278 176.430 176.600 0.181 0.000 1.188 1244 E CA -0.147 56.376 56.400 0.205 0.000 1.214 1244 E CB 0.147 30.008 29.700 0.269 0.000 1.210 1244 E HN 0.475 nan 8.360 nan 0.000 0.477 1245 S N 1.982 117.797 115.700 0.192 0.000 2.962 1245 S HA 0.128 4.600 4.470 0.003 0.000 0.320 1245 S C 0.411 175.126 174.600 0.192 0.000 1.186 1245 S CA -0.262 58.037 58.200 0.164 0.000 1.180 1245 S CB 0.141 63.427 63.200 0.142 0.000 1.491 1245 S HN 0.543 nan 8.310 nan 0.000 0.556 1246 G N 1.595 110.566 108.800 0.285 0.000 2.616 1246 G HA2 0.349 4.310 3.960 0.003 0.000 0.268 1246 G HA3 0.349 4.310 3.960 0.003 0.000 0.268 1246 G C 0.962 175.965 174.900 0.171 0.000 1.213 1246 G CA -0.839 44.419 45.100 0.263 0.000 0.926 1246 G HN 0.576 nan 8.290 nan 0.000 0.523 1247 I N -0.939 119.702 120.570 0.118 0.000 2.850 1247 I HA 0.027 4.199 4.170 0.003 0.000 0.266 1247 I C 1.572 177.740 176.117 0.084 0.000 1.257 1247 I CA 0.735 62.085 61.300 0.083 0.000 1.465 1247 I CB -0.676 37.357 38.000 0.056 0.000 1.091 1247 I HN 0.304 nan 8.210 nan 0.000 0.467 1248 V N -2.122 117.862 119.914 0.117 0.000 3.289 1248 V HA 0.186 4.308 4.120 0.003 0.000 0.262 1248 V C 1.478 177.690 176.094 0.197 0.000 1.707 1248 V CA -0.288 62.080 62.300 0.114 0.000 1.024 1248 V CB -0.491 31.377 31.823 0.074 0.000 0.871 1248 V HN 0.310 nan 8.190 nan 0.000 0.397 1249 F N 2.119 122.088 119.950 0.031 0.000 1.991 1249 F HA -0.037 4.492 4.527 0.003 0.000 0.298 1249 F C 1.422 177.236 175.800 0.024 0.000 1.225 1249 F CA 2.170 60.190 58.000 0.034 0.000 1.187 1249 F CB 0.276 39.308 39.000 0.054 0.000 0.954 1249 F HN 0.424 nan 8.300 nan 0.000 0.510 1250 E N 1.397 121.611 120.200 0.023 0.000 2.379 1250 E HA -0.197 4.155 4.350 0.003 0.000 0.206 1250 E C -0.905 175.443 176.600 -0.420 0.000 1.297 1250 E CA 0.672 56.987 56.400 -0.141 0.000 0.676 1250 E CB -1.322 28.342 29.700 -0.061 0.000 1.164 1250 E HN 0.503 nan 8.360 nan 0.000 0.402 1251 E N 2.073 121.886 120.200 -0.645 0.000 2.366 1251 E HA 0.292 4.643 4.350 0.003 0.000 0.278 1251 E C -1.061 175.440 176.600 -0.164 0.000 0.923 1251 E CA -0.699 55.297 56.400 -0.674 0.000 0.761 1251 E CB 0.954 29.904 29.700 -1.250 0.000 1.231 1251 E HN 0.303 nan 8.360 nan 0.000 0.443 1252 Y N 1.897 122.119 120.300 -0.130 0.000 2.323 1252 Y HA 0.431 4.983 4.550 0.003 0.000 0.331 1252 Y C 0.616 176.536 175.900 0.032 0.000 1.092 1252 Y CA -0.851 57.264 58.100 0.026 0.000 1.150 1252 Y CB 1.901 40.399 38.460 0.063 0.000 1.200 1252 Y HN 0.261 nan 8.280 nan 0.000 0.472 1253 K N 2.064 122.636 120.400 0.287 0.000 2.501 1253 K HA 0.237 4.559 4.320 0.003 0.000 0.252 1253 K C -2.035 174.724 176.600 0.265 0.000 0.934 1253 K CA -0.817 55.605 56.287 0.226 0.000 0.797 1253 K CB 1.597 34.263 32.500 0.278 0.000 1.270 1253 K HN 0.560 nan 8.250 nan 0.000 0.431 1254 D N 2.421 122.861 120.400 0.067 0.000 2.351 1254 D HA 0.222 4.864 4.640 0.003 0.000 0.251 1254 D C -1.088 175.186 176.300 -0.043 0.000 1.137 1254 D CA 0.628 54.684 54.000 0.093 0.000 0.879 1254 D CB 0.367 41.175 40.800 0.013 0.000 1.181 1254 D HN 0.247 nan 8.370 nan 0.000 0.448 1255 Y N 0.737 121.178 120.300 0.235 0.000 2.545 1255 Y HA 0.331 4.883 4.550 0.003 0.000 0.348 1255 Y C -0.282 175.835 175.900 0.362 0.000 1.002 1255 Y CA -1.346 56.868 58.100 0.189 0.000 1.039 1255 Y CB 1.114 39.517 38.460 -0.096 0.000 1.271 1255 Y HN 0.226 nan 8.280 nan 0.000 0.467 1256 F N 4.618 124.742 119.950 0.290 0.000 2.487 1256 F HA 0.403 4.932 4.527 0.002 0.000 0.364 1256 F C 0.181 176.171 175.800 0.318 0.000 1.126 1256 F CA -1.176 57.000 58.000 0.294 0.000 1.135 1256 F CB -0.602 38.514 39.000 0.192 0.000 1.127 1256 F HN 0.607 nan 8.300 nan 0.000 0.559 1257 C N 6.520 126.017 119.300 0.328 0.000 2.973 1257 C HA 0.824 5.286 4.460 0.003 0.000 0.329 1257 C C -0.414 174.667 174.990 0.153 0.000 1.327 1257 C CA -1.220 57.936 59.018 0.229 0.000 1.632 1257 C CB 1.196 29.216 27.740 0.466 0.000 2.098 1257 C HN 0.908 nan 8.230 nan 0.000 0.469 1258 I N 1.575 122.208 120.570 0.104 0.000 2.530 1258 I HA 0.658 4.829 4.170 0.003 0.000 0.297 1258 I C -0.401 175.824 176.117 0.181 0.000 1.011 1258 I CA 0.203 61.591 61.300 0.147 0.000 1.107 1258 I CB 1.862 39.845 38.000 -0.028 0.000 1.285 1258 I HN 0.998 nan 8.210 nan 0.000 0.436 1259 S N 5.112 120.985 115.700 0.289 0.000 2.548 1259 S HA 0.431 4.902 4.470 0.003 0.000 0.276 1259 S C 0.189 174.946 174.600 0.262 0.000 1.129 1259 S CA -0.753 57.554 58.200 0.178 0.000 0.931 1259 S CB 1.885 64.970 63.200 -0.192 0.000 1.068 1259 S HN 0.777 nan 8.310 nan 0.000 0.480 1260 K N 2.202 122.743 120.400 0.236 0.000 2.167 1260 K HA -0.011 4.310 4.320 0.003 0.000 0.203 1260 K C 1.404 178.106 176.600 0.170 0.000 1.052 1260 K CA 0.831 57.234 56.287 0.193 0.000 0.956 1260 K CB -0.136 32.437 32.500 0.122 0.000 0.735 1260 K HN 0.725 nan 8.250 nan 0.000 0.451 1261 W N 1.472 122.729 121.300 -0.072 0.000 2.317 1261 W HA -0.276 4.386 4.660 0.003 0.000 0.318 1261 W C 1.576 178.082 176.519 -0.020 0.000 1.227 1261 W CA 1.635 58.915 57.345 -0.108 0.000 1.269 1261 W CB -0.515 28.799 29.460 -0.243 0.000 1.155 1261 W HN 0.023 nan 8.180 nan 0.000 0.484 1262 Y N 0.366 120.715 120.300 0.081 0.000 2.151 1262 Y HA -0.299 4.253 4.550 0.003 0.000 0.284 1262 Y C 2.549 178.332 175.900 -0.195 0.000 1.166 1262 Y CA 1.768 59.794 58.100 -0.123 0.000 1.163 1262 Y CB -1.528 36.979 38.460 0.078 0.000 0.974 1262 Y HN -0.019 nan 8.280 nan 0.000 0.511 1263 L N 0.269 121.541 121.223 0.080 0.000 2.089 1263 L HA -0.317 4.024 4.340 0.003 0.000 0.213 1263 L C 2.350 179.153 176.870 -0.113 0.000 1.079 1263 L CA 2.331 57.165 54.840 -0.009 0.000 0.758 1263 L CB -0.585 41.506 42.059 0.054 0.000 0.891 1263 L HN 0.375 nan 8.230 nan 0.000 0.433 1264 K N -1.561 118.745 120.400 -0.156 0.000 2.242 1264 K HA -0.011 4.310 4.320 0.003 0.000 0.200 1264 K C 1.699 178.138 176.600 -0.268 0.000 1.050 1264 K CA 0.210 56.386 56.287 -0.185 0.000 0.981 1264 K CB -0.093 32.313 32.500 -0.156 0.000 0.795 1264 K HN 0.046 nan 8.250 nan 0.000 0.477 1265 E N 1.797 121.740 120.200 -0.428 0.000 2.110 1265 E HA -0.132 4.220 4.350 0.003 0.000 0.193 1265 E C 2.252 178.685 176.600 -0.278 0.000 0.988 1265 E CA 1.689 57.803 56.400 -0.477 0.000 0.804 1265 E CB -0.322 28.898 29.700 -0.800 0.000 0.745 1265 E HN 0.399 nan 8.360 nan 0.000 0.458 1266 V N -1.134 118.642 119.914 -0.230 0.000 3.078 1266 V HA -0.081 4.040 4.120 0.003 0.000 0.265 1266 V C 1.756 177.798 176.094 -0.086 0.000 1.122 1266 V CA 1.238 63.467 62.300 -0.118 0.000 1.141 1266 V CB -0.511 30.993 31.823 -0.532 0.000 0.735 1266 V HN 0.044 nan 8.190 nan 0.000 0.498 1267 K N 0.167 120.488 120.400 -0.131 0.000 2.262 1267 K HA 0.161 4.482 4.320 0.003 0.000 0.200 1267 K C 0.998 177.580 176.600 -0.031 0.000 1.049 1267 K CA -0.017 56.228 56.287 -0.070 0.000 0.979 1267 K CB 0.018 32.470 32.500 -0.080 0.000 0.773 1267 K HN 0.436 nan 8.250 nan 0.000 0.474 1268 R N 1.888 122.351 120.500 -0.062 0.000 2.640 1268 R HA 0.033 4.374 4.340 0.003 0.000 0.270 1268 R C -0.237 176.058 176.300 -0.009 0.000 1.024 1268 R CA 0.500 56.569 56.100 -0.051 0.000 1.085 1268 R CB 0.371 30.614 30.300 -0.094 0.000 0.963 1268 R HN -0.152 nan 8.270 nan 0.000 0.426 1269 K N 3.641 124.040 120.400 -0.001 0.000 2.270 1269 K HA 0.376 4.698 4.320 0.003 0.000 0.255 1269 K C -1.862 174.741 176.600 0.005 0.000 0.936 1269 K CA -1.803 54.496 56.287 0.021 0.000 0.809 1269 K CB 1.251 33.766 32.500 0.025 0.000 1.131 1269 K HN 0.551 nan 8.250 nan 0.000 0.427 1270 P HA 0.093 nan 4.420 nan 0.000 0.272 1270 P C -0.498 176.829 177.300 0.045 0.000 1.240 1270 P CA -0.427 62.697 63.100 0.041 0.000 0.791 1270 P CB 0.372 32.092 31.700 0.033 0.000 0.978 1271 Y N 1.824 122.121 120.300 -0.006 0.000 2.717 1271 Y HA -0.062 4.489 4.550 0.002 0.000 0.330 1271 Y C 0.840 176.731 175.900 -0.015 0.000 1.217 1271 Y CA -0.061 58.032 58.100 -0.010 0.000 1.506 1271 Y CB -0.196 38.274 38.460 0.017 0.000 1.268 1271 Y HN 0.312 nan 8.280 nan 0.000 0.561 1272 N N 6.957 125.118 118.700 -0.897 0.000 2.406 1272 N HA -0.017 4.724 4.740 0.003 0.000 0.265 1272 N C 0.423 175.491 175.510 -0.736 0.000 1.203 1272 N CA 0.034 52.690 53.050 -0.658 0.000 0.945 1272 N CB 0.454 38.646 38.487 -0.492 0.000 1.165 1272 N HN 0.710 nan 8.380 nan 0.000 0.485 1273 L N 3.132 124.161 121.223 -0.324 0.000 2.313 1273 L HA -0.005 4.337 4.340 0.003 0.000 0.214 1273 L C 1.779 178.576 176.870 -0.122 0.000 1.119 1273 L CA 0.988 55.740 54.840 -0.147 0.000 0.809 1273 L CB -0.656 41.383 42.059 -0.034 0.000 0.933 1273 L HN 0.440 nan 8.230 nan 0.000 0.449 1274 K N 0.327 120.651 120.400 -0.126 0.000 2.486 1274 K HA 0.109 4.431 4.320 0.003 0.000 0.194 1274 K C 0.863 177.419 176.600 -0.074 0.000 1.033 1274 K CA -0.095 56.145 56.287 -0.078 0.000 1.004 1274 K CB -0.070 32.406 32.500 -0.041 0.000 0.798 1274 K HN 0.275 nan 8.250 nan 0.000 0.495 1275 L N 0.831 121.983 121.223 -0.119 0.000 2.514 1275 L HA -0.025 4.317 4.340 0.003 0.000 0.280 1275 L C 1.583 178.381 176.870 -0.119 0.000 1.223 1275 L CA 0.039 54.842 54.840 -0.061 0.000 0.864 1275 L CB 0.356 42.319 42.059 -0.161 0.000 1.118 1275 L HN 0.193 nan 8.230 nan 0.000 0.494 1276 G N 1.289 110.093 108.800 0.006 0.000 2.956 1276 G HA2 -0.068 3.894 3.960 0.003 0.000 0.207 1276 G HA3 -0.068 3.894 3.960 0.003 0.000 0.207 1276 G C 1.003 175.690 174.900 -0.355 0.000 1.162 1276 G CA 0.353 45.387 45.100 -0.110 0.000 0.796 1276 G HN 0.896 nan 8.290 nan 0.000 0.527 1277 C N -1.486 117.456 119.300 -0.596 0.000 2.855 1277 C HA 0.397 4.858 4.460 0.003 0.000 0.279 1277 C C 0.456 175.296 174.990 -0.251 0.000 1.270 1277 C CA -1.756 56.918 59.018 -0.573 0.000 1.702 1277 C CB -1.681 25.395 27.740 -1.105 0.000 1.949 1277 C HN 0.219 nan 8.230 nan 0.000 0.618 1278 N N 0.503 118.984 118.700 -0.365 0.000 2.425 1278 N HA 0.497 5.238 4.740 0.003 0.000 0.268 1278 N C -1.208 174.064 175.510 -0.397 0.000 0.991 1278 N CA -0.192 52.756 53.050 -0.169 0.000 0.931 1278 N CB 0.759 39.218 38.487 -0.047 0.000 1.130 1278 N HN 0.532 nan 8.380 nan 0.000 0.493 1279 W N 0.906 122.176 121.300 -0.050 0.000 2.719 1279 W HA 0.492 5.153 4.660 0.003 0.000 0.352 1279 W C -0.177 176.282 176.519 -0.101 0.000 1.085 1279 W CA -0.580 56.677 57.345 -0.146 0.000 1.187 1279 W CB 1.259 30.531 29.460 -0.313 0.000 1.417 1279 W HN 0.151 nan 8.180 nan 0.000 0.557 1280 Q N 1.160 121.048 119.800 0.147 0.000 2.359 1280 Q HA 0.468 4.810 4.340 0.003 0.000 0.274 1280 Q C -1.576 174.329 176.000 -0.158 0.000 1.074 1280 Q CA -1.034 54.848 55.803 0.131 0.000 0.810 1280 Q CB 2.588 31.554 28.738 0.381 0.000 1.342 1280 Q HN 0.282 nan 8.270 nan 0.000 0.427 1281 F N 2.142 122.028 119.950 -0.107 0.000 2.415 1281 F HA 0.484 5.012 4.527 0.002 0.000 0.348 1281 F C 0.086 175.710 175.800 -0.292 0.000 1.119 1281 F CA -0.587 57.222 58.000 -0.318 0.000 1.069 1281 F CB 0.867 39.325 39.000 -0.903 0.000 1.124 1281 F HN 0.277 nan 8.300 nan 0.000 0.472 1282 I N 6.054 126.653 120.570 0.048 0.000 2.359 1282 I HA 0.320 4.491 4.170 0.003 0.000 0.284 1282 I C -2.480 173.926 176.117 0.482 0.000 1.018 1282 I CA -1.991 59.324 61.300 0.024 0.000 1.173 1282 I CB 1.436 39.271 38.000 -0.276 0.000 1.326 1282 I HN 0.282 nan 8.210 nan 0.000 0.462 1283 P HA 0.246 nan 4.420 nan 0.000 0.287 1283 P C -0.931 176.692 177.300 0.539 0.000 1.270 1283 P CA -0.845 62.596 63.100 0.569 0.000 0.844 1283 P CB 1.287 33.311 31.700 0.539 0.000 1.068 1284 K N 1.780 122.293 120.400 0.189 0.000 2.489 1284 K HA 0.077 4.398 4.320 0.003 0.000 0.278 1284 K C 0.153 176.872 176.600 0.198 0.000 1.000 1284 K CA 0.961 57.212 56.287 -0.060 0.000 1.012 1284 K CB -0.016 32.369 32.500 -0.192 0.000 0.903 1284 K HN 0.574 nan 8.250 nan 0.000 0.485 1285 D N 1.318 121.885 120.400 0.279 0.000 2.934 1285 D HA 0.011 4.652 4.640 0.003 0.000 0.230 1285 D C 0.758 177.124 176.300 0.111 0.000 1.204 1285 D CA -0.206 53.847 54.000 0.089 0.000 0.873 1285 D CB 1.324 41.938 40.800 -0.309 0.000 1.645 1285 D HN 0.580 nan 8.370 nan 0.000 0.502 1286 E N 1.633 121.885 120.200 0.086 0.000 2.265 1286 E HA -0.097 4.254 4.350 0.003 0.000 0.196 1286 E C 1.346 178.066 176.600 0.201 0.000 0.996 1286 E CA 1.007 57.495 56.400 0.146 0.000 0.832 1286 E CB -0.159 29.621 29.700 0.133 0.000 0.756 1286 E HN 0.433 nan 8.360 nan 0.000 0.491 1287 G N 0.330 109.232 108.800 0.169 0.000 2.744 1287 G HA2 -0.153 3.809 3.960 0.003 0.000 0.211 1287 G HA3 -0.153 3.809 3.960 0.003 0.000 0.211 1287 G C -0.299 174.572 174.900 -0.048 0.000 1.143 1287 G CA -0.206 44.947 45.100 0.089 0.000 0.788 1287 G HN 0.326 nan 8.290 nan 0.000 0.534 1288 W N 2.415 123.597 121.300 -0.197 0.000 2.631 1288 W HA 0.473 5.134 4.660 0.002 0.000 0.321 1288 W C -0.866 175.625 176.519 -0.046 0.000 1.004 1288 W CA -0.706 56.528 57.345 -0.185 0.000 1.291 1288 W CB 1.417 30.787 29.460 -0.151 0.000 1.300 1288 W HN 0.015 nan 8.180 nan 0.000 0.422 1289 T N 2.107 116.401 114.554 -0.433 0.000 2.856 1289 T HA 0.728 5.080 4.350 0.003 0.000 0.283 1289 T C -0.442 173.998 174.700 -0.434 0.000 1.008 1289 T CA -0.462 61.515 62.100 -0.204 0.000 0.997 1289 T CB 2.853 71.651 68.868 -0.117 0.000 0.992 1289 T HN 0.568 nan 8.240 nan 0.000 0.454 1290 E N 0.000 120.129 120.200 -0.119 0.000 2.725 1290 E HA 0.000 4.352 4.350 0.003 0.000 0.291 1290 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 1290 E CB 0.000 29.736 29.700 0.059 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440