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_B 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 0.000 175.552 175.510 0.069 0.000 1.280 853 N CA 0.000 53.050 53.050 0.000 0.000 0.885 853 N CB 0.000 38.432 38.487 -0.092 0.000 1.341 854 K N 0.301 120.746 120.400 0.074 0.000 3.086 854 K HA -0.266 4.054 4.320 -0.001 0.000 0.288 854 K C 0.335 177.007 176.600 0.121 0.000 1.127 854 K CA 1.327 57.659 56.287 0.074 0.000 0.854 854 K CB -1.890 30.636 32.500 0.045 0.000 1.213 854 K HN 0.772 nan 8.250 nan 0.000 0.456 855 Y N -1.640 118.644 120.300 -0.026 0.000 2.466 855 Y HA 0.261 4.811 4.550 -0.001 0.000 0.272 855 Y C 0.847 176.729 175.900 -0.030 0.000 1.169 855 Y CA 0.382 58.467 58.100 -0.025 0.000 1.285 855 Y CB -0.001 38.442 38.460 -0.028 0.000 1.078 855 Y HN 0.209 nan 8.280 nan 0.000 0.523 856 N N -0.157 118.582 118.700 0.065 0.000 2.467 856 N HA -0.068 4.672 4.740 -0.001 0.000 0.184 856 N C 1.245 176.707 175.510 -0.080 0.000 1.106 856 N CA 0.663 53.682 53.050 -0.051 0.000 0.892 856 N CB 0.130 38.627 38.487 0.017 0.000 0.969 856 N HN 0.201 nan 8.380 nan 0.000 0.454 857 S N 0.625 116.294 115.700 -0.051 0.000 2.561 857 S HA -0.092 4.377 4.470 -0.001 0.000 0.225 857 S C 1.607 176.180 174.600 -0.045 0.000 0.977 857 S CA 0.216 58.399 58.200 -0.029 0.000 0.926 857 S CB -0.000 63.198 63.200 -0.002 0.000 0.769 857 S HN 0.425 nan 8.310 nan 0.000 0.533 858 E N 2.267 122.396 120.200 -0.118 0.000 2.070 858 E HA -0.226 4.123 4.350 -0.001 0.000 0.197 858 E C 1.731 178.287 176.600 -0.072 0.000 1.004 858 E CA 1.633 57.956 56.400 -0.128 0.000 0.805 858 E CB -0.366 29.181 29.700 -0.256 0.000 0.744 858 E HN 0.762 nan 8.360 nan 0.000 0.451 859 I N -1.315 119.215 120.570 -0.067 0.000 3.456 859 I HA -0.038 4.132 4.170 -0.001 0.000 0.291 859 I C 1.464 177.668 176.117 0.146 0.000 1.307 859 I CA 0.510 61.803 61.300 -0.011 0.000 1.333 859 I CB -0.065 37.922 38.000 -0.021 0.000 1.032 859 I HN 0.092 nan 8.210 nan 0.000 0.506 860 L N 0.035 121.332 121.223 0.124 0.000 2.515 860 L HA 0.231 4.570 4.340 -0.001 0.000 0.223 860 L C 0.653 177.645 176.870 0.203 0.000 1.079 860 L CA -0.163 54.783 54.840 0.177 0.000 0.857 860 L CB -0.461 41.644 42.059 0.075 0.000 1.050 860 L HN 0.231 nan 8.230 nan 0.000 0.476 861 N N 2.095 120.882 118.700 0.144 0.000 2.294 861 N HA -0.130 4.610 4.740 -0.001 0.000 0.248 861 N C 0.368 176.022 175.510 0.241 0.000 1.242 861 N CA 0.626 53.755 53.050 0.133 0.000 0.848 861 N CB 0.001 38.526 38.487 0.065 0.000 1.084 861 N HN 0.181 nan 8.380 nan 0.000 0.457 862 N N -0.808 118.009 118.700 0.195 0.000 2.713 862 N HA -0.259 4.481 4.740 -0.001 0.000 0.251 862 N C -0.090 175.558 175.510 0.230 0.000 1.117 862 N CA 0.550 53.734 53.050 0.224 0.000 0.770 862 N CB -1.357 37.259 38.487 0.215 0.000 1.137 862 N HN 0.628 nan 8.380 nan 0.000 0.566 863 I N 1.292 121.916 120.570 0.090 0.000 2.474 863 I HA 0.064 4.233 4.170 -0.001 0.000 0.287 863 I C 1.521 177.607 176.117 -0.051 0.000 1.048 863 I CA -0.318 60.772 61.300 -0.351 0.000 1.383 863 I CB 0.547 38.312 38.000 -0.392 0.000 1.412 863 I HN 0.080 nan 8.210 nan 0.000 0.531 864 I N 5.948 126.454 120.570 -0.108 0.000 4.403 864 I HA 0.426 4.596 4.170 -0.001 0.000 0.331 864 I C -0.757 175.449 176.117 0.149 0.000 1.327 864 I CA 0.113 61.464 61.300 0.085 0.000 1.175 864 I CB 0.672 38.676 38.000 0.008 0.000 1.165 864 I HN 0.374 nan 8.210 nan 0.000 0.413 865 L N 1.456 122.713 121.223 0.057 0.000 2.516 865 L HA 0.537 4.876 4.340 -0.001 0.000 0.267 865 L C -1.542 175.382 176.870 0.089 0.000 0.957 865 L CA -0.282 54.653 54.840 0.159 0.000 0.860 865 L CB 1.770 44.008 42.059 0.297 0.000 1.265 865 L HN 0.272 nan 8.230 nan 0.000 0.403 866 N N 5.389 124.173 118.700 0.140 0.000 2.727 866 N HA 0.359 5.098 4.740 -0.001 0.000 0.252 866 N C -1.355 174.284 175.510 0.215 0.000 1.283 866 N CA -0.495 52.639 53.050 0.140 0.000 0.782 866 N CB 0.750 39.279 38.487 0.070 0.000 1.199 866 N HN 0.600 nan 8.380 nan 0.000 0.520 867 L N 3.337 124.752 121.223 0.321 0.000 2.456 867 L HA 0.277 4.616 4.340 -0.001 0.000 0.277 867 L C 0.194 177.263 176.870 0.332 0.000 1.124 867 L CA 0.115 55.137 54.840 0.304 0.000 0.880 867 L CB -0.001 42.265 42.059 0.345 0.000 1.192 867 L HN 0.346 nan 8.230 nan 0.000 0.463 868 R N 2.920 123.570 120.500 0.249 0.000 2.807 868 R HA 0.296 4.636 4.340 -0.001 0.000 0.276 868 R C -0.947 175.501 176.300 0.248 0.000 0.979 868 R CA -1.024 55.247 56.100 0.285 0.000 0.928 868 R CB 1.717 32.151 30.300 0.224 0.000 1.191 868 R HN 0.312 nan 8.270 nan 0.000 0.471 869 Y N 1.640 122.045 120.300 0.174 0.000 2.411 869 Y HA 0.245 4.794 4.550 -0.001 0.000 0.333 869 Y C -0.103 175.852 175.900 0.091 0.000 1.186 869 Y CA 0.522 58.698 58.100 0.126 0.000 1.381 869 Y CB 0.699 39.241 38.460 0.136 0.000 1.273 869 Y HN 0.522 nan 8.280 nan 0.000 0.546 870 K N 5.426 125.369 120.400 -0.762 0.000 2.610 870 K HA 0.140 4.459 4.320 -0.001 0.000 0.274 870 K C -1.791 174.429 176.600 -0.634 0.000 1.049 870 K CA -0.489 55.462 56.287 -0.560 0.000 0.945 870 K CB 0.588 32.969 32.500 -0.199 0.000 1.313 870 K HN 0.834 nan 8.250 nan 0.000 0.463 871 D N 4.334 124.395 120.400 -0.565 0.000 2.927 871 D HA -0.230 4.410 4.640 -0.001 0.000 0.236 871 D C -0.293 175.847 176.300 -0.267 0.000 1.163 871 D CA 1.612 55.440 54.000 -0.287 0.000 0.801 871 D CB -0.917 39.789 40.800 -0.156 0.000 0.975 871 D HN 1.054 nan 8.370 nan 0.000 0.413 872 N N 0.283 118.857 118.700 -0.209 0.000 2.701 872 N HA -0.318 4.422 4.740 -0.001 0.000 0.250 872 N C -0.527 174.958 175.510 -0.041 0.000 1.046 872 N CA 1.336 54.429 53.050 0.072 0.000 0.733 872 N CB -0.541 37.997 38.487 0.085 0.000 0.973 872 N HN 0.720 nan 8.380 nan 0.000 0.541 873 N N -0.801 117.764 118.700 -0.224 0.000 3.046 873 N HA 0.487 5.227 4.740 -0.001 0.000 0.243 873 N C -1.754 173.659 175.510 -0.162 0.000 1.452 873 N CA -0.741 52.222 53.050 -0.145 0.000 0.882 873 N CB 1.110 39.511 38.487 -0.144 0.000 1.425 873 N HN 0.025 nan 8.380 nan 0.000 0.517 874 L N 2.282 123.450 121.223 -0.091 0.000 2.342 874 L HA 0.734 5.074 4.340 -0.001 0.000 0.271 874 L C -0.500 176.342 176.870 -0.048 0.000 1.008 874 L CA -0.851 53.960 54.840 -0.048 0.000 0.818 874 L CB 1.836 43.846 42.059 -0.082 0.000 1.296 874 L HN 0.568 nan 8.230 nan 0.000 0.427 875 I N -2.192 118.378 120.570 -0.001 0.000 3.093 875 I HA 0.497 4.666 4.170 -0.001 0.000 0.308 875 I C -1.558 174.595 176.117 0.061 0.000 1.303 875 I CA -0.855 60.453 61.300 0.013 0.000 0.975 875 I CB 2.439 40.437 38.000 -0.004 0.000 1.286 875 I HN 0.378 nan 8.210 nan 0.000 0.459 876 D N 3.325 123.768 120.400 0.071 0.000 2.316 876 D HA 0.390 5.029 4.640 -0.001 0.000 0.245 876 D C -0.030 176.317 176.300 0.079 0.000 1.171 876 D CA -0.106 53.956 54.000 0.104 0.000 0.856 876 D CB 1.159 42.035 40.800 0.126 0.000 1.090 876 D HN 0.653 nan 8.370 nan 0.000 0.476 877 L N 3.099 124.370 121.223 0.080 0.000 2.741 877 L HA 0.074 4.413 4.340 -0.001 0.000 0.237 877 L C 2.008 178.898 176.870 0.032 0.000 1.178 877 L CA -0.103 54.766 54.840 0.048 0.000 0.973 877 L CB -0.104 41.986 42.059 0.052 0.000 1.255 877 L HN 0.405 nan 8.230 nan 0.000 0.498 878 S N -0.363 115.371 115.700 0.057 0.000 2.368 878 S HA -0.063 4.407 4.470 -0.001 0.000 0.225 878 S C 1.657 176.218 174.600 -0.065 0.000 1.030 878 S CA 1.223 59.456 58.200 0.054 0.000 0.999 878 S CB -0.006 63.304 63.200 0.183 0.000 0.844 878 S HN 0.522 nan 8.310 nan 0.000 0.459 879 G N -0.623 108.113 108.800 -0.106 0.000 2.260 879 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.179 879 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.179 879 G C 0.383 175.054 174.900 -0.381 0.000 1.002 879 G CA 0.093 45.029 45.100 -0.274 0.000 0.677 879 G HN 0.546 nan 8.290 nan 0.000 0.486 880 Y N 1.114 121.437 120.300 0.039 0.000 2.458 880 Y HA 0.431 4.980 4.550 -0.001 0.000 0.256 880 Y C 1.945 177.872 175.900 0.045 0.000 1.159 880 Y CA 0.195 58.322 58.100 0.045 0.000 1.261 880 Y CB 0.693 39.187 38.460 0.057 0.000 1.119 880 Y HN 0.733 nan 8.280 nan 0.000 0.524 881 G N 1.702 110.575 108.800 0.122 0.000 2.369 881 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.286 881 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.286 881 G C 0.306 175.271 174.900 0.107 0.000 0.938 881 G CA 0.120 45.276 45.100 0.092 0.000 1.271 881 G HN 0.618 nan 8.290 nan 0.000 0.488 882 A N 0.667 123.565 122.820 0.131 0.000 2.386 882 A HA 0.611 4.930 4.320 -0.001 0.000 0.248 882 A C 0.879 178.515 177.584 0.086 0.000 1.082 882 A CA 0.284 52.393 52.037 0.120 0.000 0.789 882 A CB 0.503 19.594 19.000 0.152 0.000 1.025 882 A HN 0.826 nan 8.150 nan 0.000 0.490 883 K N 1.544 121.987 120.400 0.072 0.000 2.297 883 K HA 0.463 4.782 4.320 -0.001 0.000 0.286 883 K C -1.436 175.193 176.600 0.048 0.000 1.053 883 K CA -0.169 56.147 56.287 0.048 0.000 0.940 883 K CB 0.512 33.035 32.500 0.040 0.000 1.019 883 K HN 0.373 nan 8.250 nan 0.000 0.475 884 V N 4.819 124.747 119.914 0.023 0.000 2.483 884 V HA 0.243 4.362 4.120 -0.001 0.000 0.297 884 V C -1.019 175.059 176.094 -0.028 0.000 1.027 884 V CA -0.803 61.498 62.300 0.002 0.000 0.855 884 V CB 1.577 33.388 31.823 -0.019 0.000 0.995 884 V HN 0.828 nan 8.190 nan 0.000 0.424 885 E N 3.813 124.008 120.200 -0.008 0.000 2.145 885 E HA 0.533 4.882 4.350 -0.001 0.000 0.262 885 E C -1.142 175.454 176.600 -0.008 0.000 0.883 885 E CA -0.563 55.809 56.400 -0.046 0.000 0.748 885 E CB 2.381 32.078 29.700 -0.005 0.000 1.140 885 E HN 0.449 nan 8.360 nan 0.000 0.417 886 V N 3.830 123.685 119.914 -0.098 0.000 2.439 886 V HA 0.248 4.367 4.120 -0.001 0.000 0.282 886 V C -0.541 175.519 176.094 -0.057 0.000 1.039 886 V CA -0.653 61.621 62.300 -0.043 0.000 0.913 886 V CB -0.026 31.735 31.823 -0.102 0.000 0.983 886 V HN 0.554 nan 8.190 nan 0.000 0.460 887 Y N 1.456 121.718 120.300 -0.063 0.000 2.432 887 Y HA 0.232 4.781 4.550 -0.001 0.000 0.322 887 Y C 1.447 177.330 175.900 -0.029 0.000 1.246 887 Y CA -0.755 57.323 58.100 -0.038 0.000 1.268 887 Y CB 0.579 39.022 38.460 -0.028 0.000 1.276 887 Y HN 0.741 nan 8.280 nan 0.000 0.499 888 D N 0.636 121.105 120.400 0.116 0.000 2.239 888 D HA -0.171 4.469 4.640 -0.001 0.000 0.202 888 D C 1.980 178.315 176.300 0.057 0.000 0.993 888 D CA 1.829 55.866 54.000 0.061 0.000 0.874 888 D CB -0.233 40.597 40.800 0.050 0.000 0.922 888 D HN 0.803 nan 8.370 nan 0.000 0.464 889 G N -0.714 108.130 108.800 0.073 0.000 2.848 889 G HA2 0.105 4.065 3.960 -0.001 0.000 0.208 889 G HA3 0.105 4.065 3.960 -0.001 0.000 0.208 889 G C 0.126 175.041 174.900 0.024 0.000 1.152 889 G CA -0.021 45.101 45.100 0.037 0.000 0.789 889 G HN 0.203 nan 8.290 nan 0.000 0.531 890 V N 0.973 120.910 119.914 0.039 0.000 2.333 890 V HA 0.250 4.370 4.120 -0.001 0.000 0.274 890 V C -0.051 176.068 176.094 0.042 0.000 1.028 890 V CA -1.010 61.309 62.300 0.031 0.000 0.851 890 V CB 1.475 33.306 31.823 0.014 0.000 1.000 890 V HN 0.308 nan 8.190 nan 0.000 0.456 891 E N 4.965 125.174 120.200 0.016 0.000 2.229 891 E HA 0.537 4.886 4.350 -0.001 0.000 0.283 891 E C -1.206 175.489 176.600 0.159 0.000 1.030 891 E CA -0.589 55.840 56.400 0.049 0.000 0.836 891 E CB 1.152 30.836 29.700 -0.026 0.000 1.068 891 E HN 0.595 nan 8.360 nan 0.000 0.401 892 L N 1.902 123.253 121.223 0.214 0.000 2.341 892 L HA 0.675 5.015 4.340 -0.001 0.000 0.254 892 L C -0.971 176.001 176.870 0.171 0.000 1.040 892 L CA -1.097 53.916 54.840 0.288 0.000 0.837 892 L CB 1.259 43.524 42.059 0.344 0.000 1.425 892 L HN 0.547 nan 8.230 nan 0.000 0.414 893 N N -2.551 116.141 118.700 -0.014 0.000 2.610 893 N HA 0.361 5.100 4.740 -0.001 0.000 0.264 893 N C -0.313 174.690 175.510 -0.845 0.000 1.348 893 N CA -0.338 52.557 53.050 -0.257 0.000 0.819 893 N CB 0.643 39.071 38.487 -0.098 0.000 1.521 893 N HN 0.683 nan 8.380 nan 0.000 0.497 894 D N -0.614 119.319 120.400 -0.778 0.000 2.403 894 D HA -0.138 4.501 4.640 -0.001 0.000 0.227 894 D C 0.170 176.230 176.300 -0.399 0.000 0.995 894 D CA 0.990 54.519 54.000 -0.785 0.000 0.928 894 D CB -0.115 40.564 40.800 -0.201 0.000 0.887 894 D HN 0.646 nan 8.370 nan 0.000 0.529 895 K N -0.077 120.119 120.400 -0.340 0.000 2.437 895 K HA 0.099 4.419 4.320 -0.001 0.000 0.198 895 K C 0.188 176.632 176.600 -0.259 0.000 1.024 895 K CA -0.240 55.903 56.287 -0.240 0.000 1.148 895 K CB 0.013 32.360 32.500 -0.255 0.000 0.860 895 K HN -0.033 nan 8.250 nan 0.000 0.515 896 N N 1.510 120.085 118.700 -0.209 0.000 2.900 896 N HA -0.194 4.545 4.740 -0.001 0.000 0.240 896 N C -0.830 174.675 175.510 -0.008 0.000 0.953 896 N CA 1.150 54.176 53.050 -0.041 0.000 0.950 896 N CB -0.571 37.871 38.487 -0.076 0.000 1.102 896 N HN 0.470 nan 8.380 nan 0.000 0.593 897 Q N 0.222 120.001 119.800 -0.035 0.000 2.261 897 Q HA 0.488 4.828 4.340 -0.001 0.000 0.252 897 Q C -0.124 176.184 176.000 0.512 0.000 0.915 897 Q CA -0.224 55.676 55.803 0.162 0.000 0.915 897 Q CB 0.632 29.430 28.738 0.100 0.000 1.204 897 Q HN 0.306 nan 8.270 nan 0.000 0.421 898 F N -0.917 119.358 119.950 0.542 0.000 2.563 898 F HA 0.670 5.196 4.527 -0.001 0.000 0.316 898 F C -0.814 175.069 175.800 0.139 0.000 1.076 898 F CA -1.348 56.853 58.000 0.335 0.000 0.921 898 F CB 1.423 40.540 39.000 0.195 0.000 1.209 898 F HN 0.224 nan 8.300 nan 0.000 0.462 899 K N 3.551 123.914 120.400 -0.060 0.000 2.221 899 K HA 0.690 5.010 4.320 -0.001 0.000 0.258 899 K C -1.786 174.750 176.600 -0.107 0.000 0.944 899 K CA -0.669 55.293 56.287 -0.541 0.000 0.823 899 K CB 1.486 33.178 32.500 -1.347 0.000 1.113 899 K HN 0.908 nan 8.250 nan 0.000 0.431 900 L N 3.585 124.793 121.223 -0.024 0.000 2.341 900 L HA 0.446 4.785 4.340 -0.001 0.000 0.278 900 L C 0.396 177.287 176.870 0.036 0.000 1.005 900 L CA -0.692 54.192 54.840 0.073 0.000 0.818 900 L CB 1.839 44.008 42.059 0.183 0.000 1.259 900 L HN 0.864 nan 8.230 nan 0.000 0.418 901 T N -2.447 112.119 114.554 0.021 0.000 2.718 901 T HA 0.243 4.592 4.350 -0.001 0.000 0.267 901 T C 1.056 175.767 174.700 0.017 0.000 0.957 901 T CA 0.106 62.222 62.100 0.027 0.000 1.025 901 T CB 1.377 70.237 68.868 -0.013 0.000 1.355 901 T HN 0.531 nan 8.240 nan 0.000 0.572 902 S N -0.210 115.492 115.700 0.005 0.000 2.489 902 S HA 0.101 4.571 4.470 -0.001 0.000 0.228 902 S C 1.203 175.794 174.600 -0.015 0.000 0.995 902 S CA 0.266 58.456 58.200 -0.017 0.000 0.934 902 S CB -0.660 62.526 63.200 -0.024 0.000 0.771 902 S HN 0.810 nan 8.310 nan 0.000 0.522 903 S N 1.087 116.781 115.700 -0.010 0.000 2.537 903 S HA 0.498 4.967 4.470 -0.001 0.000 0.286 903 S C 1.295 175.885 174.600 -0.016 0.000 1.299 903 S CA -0.010 58.183 58.200 -0.012 0.000 1.067 903 S CB 0.693 63.888 63.200 -0.009 0.000 0.864 903 S HN 0.568 nan 8.310 nan 0.000 0.494 904 A N 4.387 127.194 122.820 -0.022 0.000 2.067 904 A HA -0.079 4.241 4.320 -0.001 0.000 0.219 904 A C 1.748 179.297 177.584 -0.060 0.000 1.158 904 A CA 1.386 53.399 52.037 -0.040 0.000 0.661 904 A CB -0.500 18.476 19.000 -0.039 0.000 0.801 904 A HN 0.959 nan 8.150 nan 0.000 0.452 905 N N -0.608 118.075 118.700 -0.029 0.000 2.268 905 N HA 0.023 4.763 4.740 -0.001 0.000 0.204 905 N C 0.073 175.596 175.510 0.020 0.000 1.124 905 N CA 0.654 53.697 53.050 -0.011 0.000 0.838 905 N CB -0.078 38.441 38.487 0.054 0.000 0.994 905 N HN 0.133 nan 8.380 nan 0.000 0.489 906 S N 0.775 116.473 115.700 -0.003 0.000 3.170 906 S HA 0.271 4.741 4.470 -0.001 0.000 0.257 906 S C -0.572 174.035 174.600 0.010 0.000 1.284 906 S CA -0.708 57.503 58.200 0.018 0.000 0.973 906 S CB -0.527 62.680 63.200 0.012 0.000 1.330 906 S HN 0.489 nan 8.310 nan 0.000 0.493 907 K N 2.471 122.875 120.400 0.007 0.000 2.597 907 K HA 0.526 4.846 4.320 -0.001 0.000 0.282 907 K C -1.644 174.977 176.600 0.034 0.000 0.975 907 K CA -0.986 55.296 56.287 -0.008 0.000 0.867 907 K CB 0.919 33.349 32.500 -0.118 0.000 1.465 907 K HN 0.313 nan 8.250 nan 0.000 0.417 908 I N 1.458 122.053 120.570 0.043 0.000 2.465 908 I HA 0.411 4.581 4.170 -0.001 0.000 0.291 908 I C -0.559 175.623 176.117 0.108 0.000 1.014 908 I CA -0.918 60.377 61.300 -0.009 0.000 1.093 908 I CB 2.042 39.786 38.000 -0.426 0.000 1.267 908 I HN 0.579 nan 8.210 nan 0.000 0.431 909 R N 6.147 126.725 120.500 0.130 0.000 2.310 909 R HA 0.641 4.980 4.340 -0.001 0.000 0.324 909 R C -1.810 174.559 176.300 0.113 0.000 0.955 909 R CA -0.421 55.760 56.100 0.134 0.000 0.830 909 R CB 1.502 31.895 30.300 0.154 0.000 1.154 909 R HN 0.474 nan 8.270 nan 0.000 0.458 910 V N 4.363 124.366 119.914 0.148 0.000 2.357 910 V HA 0.293 4.413 4.120 -0.001 0.000 0.284 910 V C -0.012 176.152 176.094 0.117 0.000 1.018 910 V CA -0.710 61.678 62.300 0.147 0.000 0.841 910 V CB 1.588 33.561 31.823 0.250 0.000 0.991 910 V HN 0.907 nan 8.190 nan 0.000 0.437 911 T N 2.519 117.127 114.554 0.090 0.000 2.749 911 T HA 0.648 4.998 4.350 -0.001 0.000 0.287 911 T C -0.362 174.381 174.700 0.073 0.000 0.970 911 T CA -0.732 61.407 62.100 0.066 0.000 0.980 911 T CB 1.385 70.282 68.868 0.048 0.000 0.924 911 T HN 0.613 nan 8.240 nan 0.000 0.456 912 Q N 1.996 121.832 119.800 0.061 0.000 2.166 912 Q HA 0.377 4.716 4.340 -0.001 0.000 0.226 912 Q C -0.049 175.971 176.000 0.032 0.000 0.989 912 Q CA -1.259 54.579 55.803 0.059 0.000 0.966 912 Q CB 0.663 29.433 28.738 0.054 0.000 1.173 912 Q HN 0.576 nan 8.270 nan 0.000 0.509 913 N N 1.898 120.613 118.700 0.024 0.000 2.492 913 N HA -0.030 4.710 4.740 -0.001 0.000 0.262 913 N C -0.532 174.978 175.510 -0.000 0.000 1.202 913 N CA 0.189 53.249 53.050 0.016 0.000 0.926 913 N CB 0.565 39.062 38.487 0.015 0.000 1.078 913 N HN 0.382 nan 8.380 nan 0.000 0.454 914 Q N 1.719 121.523 119.800 0.007 0.000 2.314 914 Q HA 0.124 4.464 4.340 -0.001 0.000 0.258 914 Q C -0.942 175.062 176.000 0.006 0.000 0.954 914 Q CA -0.383 55.420 55.803 0.000 0.000 0.890 914 Q CB 0.344 29.083 28.738 0.002 0.000 1.210 914 Q HN 0.484 nan 8.270 nan 0.000 0.410 915 N N 4.364 123.065 118.700 0.002 0.000 2.462 915 N HA 0.113 4.853 4.740 -0.001 0.000 0.242 915 N C -0.096 175.423 175.510 0.015 0.000 1.010 915 N CA -0.363 52.703 53.050 0.026 0.000 0.939 915 N CB 0.785 39.285 38.487 0.022 0.000 1.127 915 N HN 0.674 nan 8.380 nan 0.000 0.509 916 I N 2.231 122.811 120.570 0.018 0.000 2.141 916 I HA 0.064 4.233 4.170 -0.001 0.000 0.236 916 I C 1.399 177.455 176.117 -0.102 0.000 1.071 916 I CA 1.279 62.561 61.300 -0.029 0.000 1.345 916 I CB 0.006 37.994 38.000 -0.019 0.000 1.066 916 I HN 0.596 nan 8.210 nan 0.000 0.406 917 I N -1.454 118.997 120.570 -0.198 0.000 2.628 917 I HA -0.021 4.149 4.170 -0.001 0.000 0.255 917 I C 0.409 176.176 176.117 -0.582 0.000 1.119 917 I CA 0.238 61.230 61.300 -0.514 0.000 1.448 917 I CB -0.032 37.405 38.000 -0.937 0.000 1.133 917 I HN -0.007 nan 8.210 nan 0.000 0.438 918 F N 0.062 120.002 119.950 -0.017 0.000 2.629 918 F HA 0.365 4.891 4.527 -0.001 0.000 0.386 918 F C -0.073 175.710 175.800 -0.029 0.000 1.135 918 F CA -1.123 56.865 58.000 -0.020 0.000 1.116 918 F CB 0.021 39.011 39.000 -0.017 0.000 1.426 918 F HN -0.246 nan 8.300 nan 0.000 0.501 919 N N -0.755 118.066 118.700 0.203 0.000 2.400 919 N HA 0.390 5.129 4.740 -0.001 0.000 0.288 919 N C -1.427 174.102 175.510 0.032 0.000 1.024 919 N CA -0.504 52.590 53.050 0.073 0.000 0.894 919 N CB 1.525 40.036 38.487 0.040 0.000 1.173 919 N HN 0.363 nan 8.380 nan 0.000 0.487 920 S N 1.321 117.007 115.700 -0.025 0.000 2.439 920 S HA 0.454 4.923 4.470 -0.001 0.000 0.282 920 S C -0.234 174.267 174.600 -0.166 0.000 1.170 920 S CA -0.605 57.538 58.200 -0.095 0.000 1.054 920 S CB 0.263 63.389 63.200 -0.123 0.000 0.956 920 S HN 0.227 nan 8.310 nan 0.000 0.490 921 V N 3.664 123.482 119.914 -0.160 0.000 3.102 921 V HA 0.550 4.670 4.120 -0.001 0.000 0.312 921 V C -0.807 175.206 176.094 -0.135 0.000 1.135 921 V CA -0.921 61.283 62.300 -0.161 0.000 1.022 921 V CB 1.958 33.757 31.823 -0.040 0.000 1.056 921 V HN 0.804 nan 8.190 nan 0.000 0.436 922 F N 1.148 121.041 119.950 -0.095 0.000 2.422 922 F HA 0.423 4.949 4.527 -0.001 0.000 0.333 922 F C 0.546 176.362 175.800 0.026 0.000 1.095 922 F CA -0.505 57.438 58.000 -0.096 0.000 1.038 922 F CB 1.845 40.600 39.000 -0.408 0.000 1.156 922 F HN 0.351 nan 8.300 nan 0.000 0.483 923 L N 0.980 122.386 121.223 0.306 0.000 2.296 923 L HA 0.135 4.475 4.340 -0.001 0.000 0.193 923 L C -0.045 176.976 176.870 0.253 0.000 1.123 923 L CA 1.233 56.201 54.840 0.214 0.000 0.805 923 L CB -0.119 42.026 42.059 0.143 0.000 1.004 923 L HN 0.416 nan 8.230 nan 0.000 0.478 924 D N -0.998 119.527 120.400 0.208 0.000 2.350 924 D HA 0.579 5.219 4.640 -0.001 0.000 0.245 924 D C -0.930 175.464 176.300 0.155 0.000 1.036 924 D CA -0.116 53.983 54.000 0.164 0.000 0.848 924 D CB 2.074 42.908 40.800 0.058 0.000 1.307 924 D HN -0.008 nan 8.370 nan 0.000 0.469 925 F N -1.597 118.220 119.950 -0.222 0.000 2.719 925 F HA 0.675 5.201 4.527 -0.001 0.000 0.309 925 F C -1.533 174.086 175.800 -0.302 0.000 1.138 925 F CA -0.748 57.002 58.000 -0.416 0.000 0.943 925 F CB 1.233 39.640 39.000 -0.988 0.000 1.304 925 F HN 0.112 nan 8.300 nan 0.000 0.445 926 S N 1.197 116.689 115.700 -0.347 0.000 2.569 926 S HA 0.814 5.284 4.470 -0.001 0.000 0.280 926 S C -1.505 172.933 174.600 -0.269 0.000 1.111 926 S CA -0.821 57.104 58.200 -0.458 0.000 0.887 926 S CB 2.193 65.153 63.200 -0.401 0.000 1.095 926 S HN 0.650 nan 8.310 nan 0.000 0.476 927 V N 1.816 121.461 119.914 -0.447 0.000 2.588 927 V HA 0.762 4.882 4.120 -0.001 0.000 0.304 927 V C -0.317 175.610 176.094 -0.279 0.000 1.042 927 V CA -0.453 61.655 62.300 -0.321 0.000 0.877 927 V CB 1.871 33.449 31.823 -0.409 0.000 0.996 927 V HN 0.824 nan 8.190 nan 0.000 0.425 928 S N 4.674 120.285 115.700 -0.148 0.000 2.526 928 S HA 0.982 5.451 4.470 -0.001 0.000 0.293 928 S C -1.122 173.568 174.600 0.149 0.000 1.092 928 S CA -0.442 57.671 58.200 -0.145 0.000 0.980 928 S CB 1.251 64.465 63.200 0.024 0.000 1.048 928 S HN 0.937 nan 8.310 nan 0.000 0.483 929 F N 0.504 120.474 119.950 0.033 0.000 2.878 929 F HA 0.702 5.228 4.527 -0.001 0.000 0.322 929 F C -2.506 173.510 175.800 0.360 0.000 1.154 929 F CA -1.572 56.653 58.000 0.376 0.000 0.896 929 F CB 0.251 39.556 39.000 0.509 0.000 1.313 929 F HN 0.528 nan 8.300 nan 0.000 0.451 930 W N 2.716 124.405 121.300 0.649 0.000 2.627 930 W HA 0.833 5.493 4.660 -0.001 0.000 0.339 930 W C -0.846 176.077 176.519 0.673 0.000 1.058 930 W CA -0.894 56.791 57.345 0.568 0.000 1.223 930 W CB 1.902 31.664 29.460 0.504 0.000 1.389 930 W HN 0.734 nan 8.180 nan 0.000 0.541 931 I N 1.814 122.728 120.570 0.574 0.000 2.894 931 I HA 0.549 4.718 4.170 -0.001 0.000 0.302 931 I C -1.162 174.794 176.117 -0.269 0.000 1.188 931 I CA -1.421 60.015 61.300 0.225 0.000 1.014 931 I CB 2.141 40.265 38.000 0.206 0.000 1.242 931 I HN 0.461 nan 8.210 nan 0.000 0.430 932 R N 6.993 127.236 120.500 -0.428 0.000 2.521 932 R HA 0.550 4.890 4.340 -0.001 0.000 0.295 932 R C -1.882 174.321 176.300 -0.162 0.000 1.183 932 R CA -0.438 55.358 56.100 -0.508 0.000 0.957 932 R CB 0.995 30.555 30.300 -1.233 0.000 1.171 932 R HN 0.539 nan 8.270 nan 0.000 0.494 933 I N 6.662 127.227 120.570 -0.009 0.000 2.304 933 I HA 0.343 4.513 4.170 -0.001 0.000 0.291 933 I C -1.728 174.401 176.117 0.020 0.000 1.018 933 I CA -2.324 59.019 61.300 0.072 0.000 1.260 933 I CB 1.326 39.493 38.000 0.278 0.000 1.390 933 I HN 0.375 nan 8.210 nan 0.000 0.475 934 P HA -0.050 nan 4.420 nan 0.000 0.268 934 P C -0.543 176.689 177.300 -0.112 0.000 1.208 934 P CA -0.236 62.720 63.100 -0.240 0.000 0.777 934 P CB 0.839 32.138 31.700 -0.669 0.000 0.875 935 K N 2.295 122.572 120.400 -0.206 0.000 2.319 935 K HA 0.026 4.346 4.320 -0.001 0.000 0.265 935 K C 0.017 176.289 176.600 -0.545 0.000 1.000 935 K CA -0.363 55.626 56.287 -0.497 0.000 0.943 935 K CB 0.006 31.959 32.500 -0.911 0.000 0.950 935 K HN 0.382 nan 8.250 nan 0.000 0.485 936 Y N 0.928 120.950 120.300 -0.463 0.000 2.457 936 Y HA 0.207 4.757 4.550 -0.001 0.000 0.341 936 Y C -0.185 175.432 175.900 -0.473 0.000 1.240 936 Y CA -0.864 56.849 58.100 -0.646 0.000 1.437 936 Y CB 0.275 37.864 38.460 -1.451 0.000 1.328 936 Y HN 0.196 nan 8.280 nan 0.000 0.588 937 K N 2.988 123.327 120.400 -0.103 0.000 2.297 937 K HA 0.071 4.390 4.320 -0.001 0.000 0.286 937 K C 0.294 176.884 176.600 -0.018 0.000 1.053 937 K CA -0.244 55.992 56.287 -0.085 0.000 0.940 937 K CB 0.773 33.245 32.500 -0.047 0.000 1.019 937 K HN 0.767 nan 8.250 nan 0.000 0.475 938 N N 2.060 120.754 118.700 -0.011 0.000 2.258 938 N HA -0.189 4.551 4.740 -0.001 0.000 0.187 938 N C 0.787 176.306 175.510 0.014 0.000 1.012 938 N CA 1.380 54.438 53.050 0.014 0.000 0.870 938 N CB 0.107 38.643 38.487 0.082 0.000 0.977 938 N HN 0.616 nan 8.380 nan 0.000 0.434 939 D N -1.871 118.536 120.400 0.011 0.000 2.360 939 D HA 0.060 4.699 4.640 -0.001 0.000 0.210 939 D C 1.251 177.542 176.300 -0.016 0.000 1.047 939 D CA 0.316 54.323 54.000 0.011 0.000 0.854 939 D CB -0.512 40.301 40.800 0.021 0.000 0.936 939 D HN 0.153 nan 8.370 nan 0.000 0.514 940 G N 0.831 109.613 108.800 -0.030 0.000 3.434 940 G HA2 0.083 4.042 3.960 -0.001 0.000 0.258 940 G HA3 0.083 4.042 3.960 -0.001 0.000 0.258 940 G C 1.155 176.021 174.900 -0.056 0.000 1.128 940 G CA -0.328 44.757 45.100 -0.026 0.000 0.792 940 G HN 0.160 nan 8.290 nan 0.000 0.539 941 I N 0.010 120.499 120.570 -0.134 0.000 2.462 941 I HA -0.236 3.933 4.170 -0.001 0.000 0.259 941 I C 2.319 178.271 176.117 -0.275 0.000 1.156 941 I CA 1.472 62.616 61.300 -0.261 0.000 1.417 941 I CB 0.238 38.040 38.000 -0.330 0.000 1.088 941 I HN 0.125 nan 8.210 nan 0.000 0.442 942 Q N 0.345 120.031 119.800 -0.190 0.000 1.984 942 Q HA -0.091 4.248 4.340 -0.001 0.000 0.196 942 Q C 2.089 178.046 176.000 -0.071 0.000 0.975 942 Q CA 1.604 57.306 55.803 -0.168 0.000 0.827 942 Q CB -0.653 28.065 28.738 -0.034 0.000 0.894 942 Q HN 0.532 nan 8.270 nan 0.000 0.438 943 N N 0.292 119.001 118.700 0.014 0.000 2.223 943 N HA -0.164 4.576 4.740 -0.001 0.000 0.185 943 N C 1.597 177.139 175.510 0.054 0.000 1.016 943 N CA 0.812 53.893 53.050 0.052 0.000 0.863 943 N CB -0.533 37.976 38.487 0.036 0.000 0.983 943 N HN 0.289 nan 8.380 nan 0.000 0.429 944 Y N 2.206 122.453 120.300 -0.087 0.000 2.049 944 Y HA -0.169 4.381 4.550 -0.001 0.000 0.277 944 Y C 2.199 178.045 175.900 -0.091 0.000 1.143 944 Y CA 1.801 59.863 58.100 -0.064 0.000 1.115 944 Y CB -0.446 37.971 38.460 -0.073 0.000 0.975 944 Y HN 0.101 nan 8.280 nan 0.000 0.487 945 I N -2.275 118.227 120.570 -0.114 0.000 2.830 945 I HA -0.121 4.048 4.170 -0.001 0.000 0.263 945 I C 1.436 177.412 176.117 -0.236 0.000 1.230 945 I CA 1.608 62.740 61.300 -0.279 0.000 1.480 945 I CB -0.588 37.236 38.000 -0.295 0.000 1.095 945 I HN 0.298 nan 8.210 nan 0.000 0.455 946 H N 0.310 119.327 119.070 -0.088 0.000 2.557 946 H HA 0.242 4.798 4.556 -0.001 0.000 0.281 946 H C 0.031 175.325 175.328 -0.056 0.000 0.990 946 H CA -0.252 55.754 56.048 -0.070 0.000 1.278 946 H CB 0.284 30.014 29.762 -0.053 0.000 1.451 946 H HN 0.282 nan 8.280 nan 0.000 0.516 947 N N 1.986 120.735 118.700 0.083 0.000 2.406 947 N HA 0.034 4.774 4.740 -0.001 0.000 0.251 947 N C -0.721 174.847 175.510 0.096 0.000 1.069 947 N CA -0.074 53.018 53.050 0.070 0.000 0.947 947 N CB 1.014 39.537 38.487 0.060 0.000 1.111 947 N HN 0.353 nan 8.380 nan 0.000 0.497 948 E N 2.513 122.750 120.200 0.062 0.000 2.249 948 E HA 0.215 4.564 4.350 -0.001 0.000 0.280 948 E C -1.190 175.485 176.600 0.124 0.000 1.016 948 E CA -0.700 55.717 56.400 0.028 0.000 0.830 948 E CB 0.537 30.211 29.700 -0.042 0.000 1.081 948 E HN 0.573 nan 8.360 nan 0.000 0.395 949 Y N 0.312 120.587 120.300 -0.042 0.000 2.373 949 Y HA 0.411 4.960 4.550 -0.001 0.000 0.336 949 Y C -0.515 175.378 175.900 -0.013 0.000 0.979 949 Y CA -1.238 56.846 58.100 -0.027 0.000 1.080 949 Y CB 0.946 39.391 38.460 -0.024 0.000 1.190 949 Y HN 0.154 nan 8.280 nan 0.000 0.446 950 T N 4.810 119.383 114.554 0.031 0.000 2.926 950 T HA 0.214 4.564 4.350 -0.001 0.000 0.307 950 T C 1.266 175.979 174.700 0.021 0.000 1.059 950 T CA 0.228 62.314 62.100 -0.024 0.000 1.122 950 T CB 0.728 69.583 68.868 -0.021 0.000 0.972 950 T HN 0.844 nan 8.240 nan 0.000 0.545 951 I N -1.223 119.338 120.570 -0.015 0.000 4.338 951 I HA 0.499 4.668 4.170 -0.001 0.000 0.315 951 I C -0.045 176.041 176.117 -0.052 0.000 1.262 951 I CA 0.020 61.335 61.300 0.026 0.000 1.298 951 I CB 0.561 38.582 38.000 0.035 0.000 1.257 951 I HN 0.354 nan 8.210 nan 0.000 0.444 952 I N 2.035 122.539 120.570 -0.111 0.000 2.534 952 I HA 0.348 4.518 4.170 -0.001 0.000 0.288 952 I C -1.316 174.670 176.117 -0.219 0.000 1.077 952 I CA -0.352 60.773 61.300 -0.292 0.000 1.051 952 I CB 2.117 39.891 38.000 -0.376 0.000 1.234 952 I HN 0.181 nan 8.210 nan 0.000 0.425 953 N N 5.103 123.597 118.700 -0.342 0.000 2.296 953 N HA 0.566 5.306 4.740 -0.001 0.000 0.294 953 N C -1.715 173.443 175.510 -0.587 0.000 1.033 953 N CA -0.400 52.421 53.050 -0.382 0.000 0.839 953 N CB 2.363 40.709 38.487 -0.235 0.000 1.395 953 N HN 0.634 nan 8.380 nan 0.000 0.479 954 C N 6.407 125.195 119.300 -0.853 0.000 2.789 954 C HA 0.586 5.046 4.460 -0.001 0.000 0.324 954 C C -1.176 173.427 174.990 -0.645 0.000 1.042 954 C CA -0.357 58.130 59.018 -0.886 0.000 1.396 954 C CB -0.922 25.875 27.740 -1.572 0.000 1.870 954 C HN 0.725 nan 8.230 nan 0.000 0.470 955 M N 4.331 123.711 119.600 -0.366 0.000 2.520 955 M HA 0.525 5.004 4.480 -0.001 0.000 0.283 955 M C -1.226 174.975 176.300 -0.166 0.000 1.237 955 M CA -0.564 54.589 55.300 -0.246 0.000 0.885 955 M CB 2.693 35.173 32.600 -0.200 0.000 1.727 955 M HN 0.522 nan 8.290 nan 0.000 0.468 956 K N 1.479 121.802 120.400 -0.128 0.000 2.513 956 K HA 0.400 4.719 4.320 -0.001 0.000 0.251 956 K C -0.735 175.821 176.600 -0.074 0.000 0.939 956 K CA -0.349 55.882 56.287 -0.093 0.000 0.793 956 K CB 1.088 33.535 32.500 -0.088 0.000 1.241 956 K HN 0.807 nan 8.250 nan 0.000 0.431 957 N N 3.630 122.293 118.700 -0.060 0.000 2.735 957 N HA -0.205 4.535 4.740 -0.001 0.000 0.248 957 N C -1.066 174.415 175.510 -0.048 0.000 1.083 957 N CA 1.226 54.248 53.050 -0.048 0.000 0.703 957 N CB -1.164 37.299 38.487 -0.040 0.000 1.005 957 N HN 0.948 nan 8.380 nan 0.000 0.550 958 N N -1.815 116.850 118.700 -0.059 0.000 2.725 958 N HA -0.198 4.542 4.740 -0.001 0.000 0.249 958 N C -0.567 174.909 175.510 -0.057 0.000 1.103 958 N CA 1.513 54.527 53.050 -0.059 0.000 0.707 958 N CB -1.112 37.348 38.487 -0.045 0.000 1.043 958 N HN 0.607 nan 8.380 nan 0.000 0.553 959 S N -1.658 114.003 115.700 -0.066 0.000 2.549 959 S HA 0.843 5.313 4.470 -0.001 0.000 0.280 959 S C 0.305 174.858 174.600 -0.079 0.000 1.109 959 S CA 0.504 58.672 58.200 -0.053 0.000 0.905 959 S CB 2.231 65.412 63.200 -0.033 0.000 1.081 959 S HN 0.840 nan 8.310 nan 0.000 0.477 960 G N 2.875 111.643 108.800 -0.054 0.000 2.366 960 G HA2 0.191 4.151 3.960 -0.001 0.000 0.190 960 G HA3 0.191 4.151 3.960 -0.001 0.000 0.190 960 G C -1.629 173.281 174.900 0.016 0.000 1.299 960 G CA -0.058 45.002 45.100 -0.068 0.000 1.056 960 G HN 1.153 nan 8.290 nan 0.000 0.468 961 W N 0.575 121.824 121.300 -0.085 0.000 3.032 961 W HA 0.839 5.498 4.660 -0.001 0.000 0.341 961 W C -0.878 175.509 176.519 -0.220 0.000 1.202 961 W CA -0.746 56.448 57.345 -0.251 0.000 1.132 961 W CB 1.481 30.749 29.460 -0.319 0.000 1.465 961 W HN 1.061 nan 8.180 nan 0.000 0.576 962 K N 0.437 120.883 120.400 0.076 0.000 2.562 962 K HA 0.714 5.034 4.320 -0.001 0.000 0.267 962 K C -2.097 174.636 176.600 0.222 0.000 0.938 962 K CA -0.866 55.483 56.287 0.102 0.000 0.840 962 K CB 2.342 34.802 32.500 -0.066 0.000 1.390 962 K HN 0.551 nan 8.250 nan 0.000 0.428 963 I N 2.622 123.367 120.570 0.292 0.000 2.389 963 I HA 0.337 4.506 4.170 -0.001 0.000 0.288 963 I C -0.483 175.700 176.117 0.110 0.000 0.999 963 I CA -0.442 61.042 61.300 0.307 0.000 1.129 963 I CB 1.990 40.216 38.000 0.376 0.000 1.288 963 I HN 0.949 nan 8.210 nan 0.000 0.444 964 S N 6.754 122.493 115.700 0.065 0.000 2.732 964 S HA 0.818 5.288 4.470 -0.001 0.000 0.293 964 S C -0.865 173.639 174.600 -0.161 0.000 1.159 964 S CA -0.767 57.379 58.200 -0.089 0.000 0.847 964 S CB 2.385 65.529 63.200 -0.092 0.000 1.169 964 S HN 0.444 nan 8.310 nan 0.000 0.501 965 I N 0.284 120.599 120.570 -0.425 0.000 2.722 965 I HA 0.536 4.706 4.170 -0.001 0.000 0.295 965 I C -0.642 175.195 176.117 -0.466 0.000 1.161 965 I CA -0.523 60.505 61.300 -0.453 0.000 1.032 965 I CB 2.530 40.191 38.000 -0.566 0.000 1.244 965 I HN 0.713 nan 8.210 nan 0.000 0.421 966 R N 3.900 124.214 120.500 -0.310 0.000 2.467 966 R HA 0.542 4.882 4.340 -0.001 0.000 0.299 966 R C 0.402 176.468 176.300 -0.390 0.000 1.120 966 R CA 0.426 56.367 56.100 -0.265 0.000 0.940 966 R CB 1.231 31.397 30.300 -0.224 0.000 1.161 966 R HN 0.950 nan 8.270 nan 0.000 0.506 967 G N 3.806 112.267 108.800 -0.565 0.000 2.602 967 G HA2 -0.447 3.513 3.960 -0.001 0.000 0.310 967 G HA3 -0.447 3.513 3.960 -0.001 0.000 0.310 967 G C 0.284 174.724 174.900 -0.766 0.000 1.183 967 G CA 0.514 44.831 45.100 -1.306 0.000 0.979 967 G HN 0.734 nan 8.290 nan 0.000 0.545 968 N N 1.328 119.742 118.700 -0.478 0.000 2.313 968 N HA 0.083 4.823 4.740 -0.001 0.000 0.207 968 N C 0.708 175.723 175.510 -0.825 0.000 1.141 968 N CA 0.559 53.276 53.050 -0.555 0.000 0.830 968 N CB 0.477 38.705 38.487 -0.432 0.000 1.008 968 N HN 0.805 nan 8.380 nan 0.000 0.481 969 R N 0.646 120.863 120.500 -0.472 0.000 2.494 969 R HA 0.414 4.754 4.340 -0.001 0.000 0.305 969 R C -1.366 174.852 176.300 -0.136 0.000 0.959 969 R CA -0.765 55.123 56.100 -0.354 0.000 0.864 969 R CB 1.032 31.061 30.300 -0.451 0.000 1.159 969 R HN 0.066 nan 8.270 nan 0.000 0.446 970 I N 6.124 126.735 120.570 0.067 0.000 2.339 970 I HA 0.386 4.555 4.170 -0.001 0.000 0.290 970 I C -1.138 175.135 176.117 0.260 0.000 0.994 970 I CA -0.734 60.691 61.300 0.209 0.000 1.191 970 I CB 1.111 39.359 38.000 0.414 0.000 1.343 970 I HN 0.584 nan 8.210 nan 0.000 0.458 971 I N 7.735 128.427 120.570 0.204 0.000 2.441 971 I HA 0.321 4.491 4.170 -0.001 0.000 0.295 971 I C -1.046 175.279 176.117 0.347 0.000 0.994 971 I CA -0.554 60.901 61.300 0.258 0.000 1.144 971 I CB 1.550 39.618 38.000 0.114 0.000 1.314 971 I HN 0.620 nan 8.210 nan 0.000 0.445 972 W N 6.457 127.859 121.300 0.170 0.000 2.475 972 W HA 0.545 5.204 4.660 -0.000 0.000 0.317 972 W C -1.485 175.128 176.519 0.157 0.000 1.046 972 W CA -0.417 57.026 57.345 0.163 0.000 1.215 972 W CB 1.949 31.477 29.460 0.112 0.000 1.335 972 W HN 0.398 nan 8.180 nan 0.000 0.471 973 T N 6.907 121.222 114.554 -0.398 0.000 2.881 973 T HA 0.463 4.812 4.350 -0.001 0.000 0.290 973 T C -0.470 173.945 174.700 -0.476 0.000 1.000 973 T CA -0.540 61.366 62.100 -0.324 0.000 0.978 973 T CB 1.575 70.370 68.868 -0.121 0.000 0.997 973 T HN 0.285 nan 8.240 nan 0.000 0.443 974 L N 3.940 125.001 121.223 -0.271 0.000 2.307 974 L HA 0.629 4.969 4.340 -0.001 0.000 0.284 974 L C -0.576 176.280 176.870 -0.023 0.000 1.023 974 L CA -0.859 53.920 54.840 -0.101 0.000 0.810 974 L CB 1.332 43.424 42.059 0.054 0.000 1.231 974 L HN 0.518 nan 8.230 nan 0.000 0.423 975 I N 2.775 123.344 120.570 -0.001 0.000 2.411 975 I HA 0.198 4.367 4.170 -0.001 0.000 0.284 975 I C -0.467 175.662 176.117 0.019 0.000 1.012 975 I CA -0.795 60.504 61.300 -0.003 0.000 1.119 975 I CB 1.697 39.678 38.000 -0.032 0.000 1.261 975 I HN 0.586 nan 8.210 nan 0.000 0.448 976 D N 5.709 126.126 120.400 0.028 0.000 2.447 976 D HA 0.073 4.713 4.640 -0.001 0.000 0.265 976 D C 1.201 177.510 176.300 0.015 0.000 1.250 976 D CA -0.544 53.476 54.000 0.034 0.000 1.046 976 D CB 1.142 41.969 40.800 0.045 0.000 1.095 976 D HN 0.290 nan 8.370 nan 0.000 0.555 977 I N -0.092 120.487 120.570 0.016 0.000 2.657 977 I HA -0.192 3.977 4.170 -0.001 0.000 0.261 977 I C 0.783 176.902 176.117 0.003 0.000 1.212 977 I CA 1.167 62.471 61.300 0.006 0.000 1.453 977 I CB -1.077 36.929 38.000 0.010 0.000 1.092 977 I HN 0.407 nan 8.210 nan 0.000 0.452 978 N N -0.180 118.525 118.700 0.007 0.000 2.280 978 N HA 0.097 4.836 4.740 -0.001 0.000 0.192 978 N C 1.177 176.687 175.510 0.001 0.000 1.109 978 N CA 0.560 53.612 53.050 0.005 0.000 0.855 978 N CB 0.463 38.956 38.487 0.009 0.000 0.974 978 N HN 0.423 nan 8.380 nan 0.000 0.482 979 G N 1.637 110.436 108.800 -0.002 0.000 2.176 979 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.253 979 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.253 979 G C 0.141 175.040 174.900 -0.002 0.000 0.979 979 G CA -0.096 45.000 45.100 -0.007 0.000 0.641 979 G HN 0.309 nan 8.290 nan 0.000 0.530 980 K N 1.024 121.428 120.400 0.006 0.000 2.350 980 K HA 0.476 4.796 4.320 -0.001 0.000 0.279 980 K C -0.079 176.528 176.600 0.013 0.000 1.027 980 K CA 0.493 56.787 56.287 0.011 0.000 0.969 980 K CB 0.287 32.798 32.500 0.019 0.000 0.954 980 K HN 0.114 nan 8.250 nan 0.000 0.474 981 T N 3.778 118.340 114.554 0.012 0.000 2.912 981 T HA 0.458 4.808 4.350 -0.001 0.000 0.288 981 T C -1.141 173.573 174.700 0.023 0.000 1.030 981 T CA -0.878 61.228 62.100 0.010 0.000 1.020 981 T CB 1.303 70.170 68.868 -0.001 0.000 1.056 981 T HN 0.354 nan 8.240 nan 0.000 0.480 982 K N 1.477 121.893 120.400 0.026 0.000 2.535 982 K HA 0.636 4.955 4.320 -0.001 0.000 0.251 982 K C -1.201 175.431 176.600 0.053 0.000 0.942 982 K CA -0.615 55.701 56.287 0.049 0.000 0.798 982 K CB 2.413 34.953 32.500 0.067 0.000 1.267 982 K HN 0.593 nan 8.250 nan 0.000 0.434 983 S N 0.323 116.075 115.700 0.087 0.000 2.599 983 S HA 0.681 5.150 4.470 -0.001 0.000 0.294 983 S C -1.298 173.413 174.600 0.184 0.000 1.094 983 S CA -0.768 57.513 58.200 0.135 0.000 0.931 983 S CB 2.511 65.796 63.200 0.141 0.000 1.093 983 S HN 0.320 nan 8.310 nan 0.000 0.488 984 V N 3.454 123.523 119.914 0.259 0.000 2.808 984 V HA 0.874 4.993 4.120 -0.001 0.000 0.308 984 V C -1.991 174.258 176.094 0.258 0.000 1.099 984 V CA -0.723 61.678 62.300 0.168 0.000 0.920 984 V CB 1.439 33.352 31.823 0.150 0.000 1.014 984 V HN 0.848 nan 8.190 nan 0.000 0.425 985 F N 5.116 125.129 119.950 0.105 0.000 2.643 985 F HA 0.861 5.388 4.527 -0.001 0.000 0.314 985 F C -1.983 173.895 175.800 0.130 0.000 1.096 985 F CA -1.659 56.409 58.000 0.113 0.000 0.953 985 F CB 1.699 40.733 39.000 0.056 0.000 1.345 985 F HN 0.500 nan 8.300 nan 0.000 0.468 986 F N 1.930 122.064 119.950 0.307 0.000 2.493 986 F HA 0.595 5.121 4.527 -0.001 0.000 0.329 986 F C -1.060 174.854 175.800 0.191 0.000 1.126 986 F CA -0.760 57.318 58.000 0.130 0.000 0.937 986 F CB 1.676 40.673 39.000 -0.005 0.000 1.146 986 F HN 0.795 nan 8.300 nan 0.000 0.442 987 E N 6.378 126.242 120.200 -0.559 0.000 2.218 987 E HA 0.318 4.668 4.350 -0.001 0.000 0.263 987 E C -1.778 174.277 176.600 -0.909 0.000 0.879 987 E CA -0.774 55.235 56.400 -0.651 0.000 0.762 987 E CB 1.301 30.874 29.700 -0.211 0.000 1.166 987 E HN 0.600 nan 8.360 nan 0.000 0.415 988 Y N 1.984 121.863 120.300 -0.703 0.000 2.376 988 Y HA 0.466 5.016 4.550 -0.000 0.000 0.325 988 Y C 0.108 175.938 175.900 -0.118 0.000 1.199 988 Y CA -1.551 56.258 58.100 -0.485 0.000 1.206 988 Y CB 0.324 38.527 38.460 -0.429 0.000 1.229 988 Y HN 0.394 nan 8.280 nan 0.000 0.480 989 N N 2.184 120.988 118.700 0.173 0.000 2.492 989 N HA 0.094 4.834 4.740 -0.001 0.000 0.260 989 N C -0.004 175.684 175.510 0.297 0.000 1.215 989 N CA -0.158 52.997 53.050 0.175 0.000 0.923 989 N CB 0.346 38.928 38.487 0.158 0.000 1.092 989 N HN 0.806 nan 8.380 nan 0.000 0.448 990 I N -0.435 120.274 120.570 0.232 0.000 3.816 990 I HA 0.407 4.576 4.170 -0.001 0.000 0.334 990 I C -0.191 176.059 176.117 0.221 0.000 1.551 990 I CA -0.330 61.147 61.300 0.295 0.000 1.153 990 I CB 0.117 38.249 38.000 0.220 0.000 1.197 990 I HN 0.291 nan 8.210 nan 0.000 0.439 991 R N 1.647 122.266 120.500 0.198 0.000 2.701 991 R HA 0.426 4.765 4.340 -0.001 0.000 0.281 991 R C -0.831 175.576 176.300 0.179 0.000 1.367 991 R CA -0.153 56.046 56.100 0.165 0.000 1.510 991 R CB 0.995 31.357 30.300 0.103 0.000 1.306 991 R HN 0.342 nan 8.270 nan 0.000 0.682 992 E N 0.227 120.568 120.200 0.236 0.000 2.272 992 E HA 0.152 4.502 4.350 -0.001 0.000 0.269 992 E C -0.062 176.687 176.600 0.249 0.000 0.877 992 E CA -0.586 55.945 56.400 0.218 0.000 0.755 992 E CB 1.375 31.211 29.700 0.225 0.000 1.192 992 E HN 0.038 nan 8.360 nan 0.000 0.422 993 D N 2.557 123.078 120.400 0.202 0.000 2.127 993 D HA -0.131 4.509 4.640 -0.001 0.000 0.190 993 D C 0.487 176.935 176.300 0.247 0.000 1.000 993 D CA 1.470 55.596 54.000 0.210 0.000 0.839 993 D CB 0.226 41.123 40.800 0.161 0.000 0.955 993 D HN 0.311 nan 8.370 nan 0.000 0.446 994 I N 0.339 121.040 120.570 0.218 0.000 2.468 994 I HA 0.118 4.287 4.170 -0.001 0.000 0.285 994 I C -0.164 176.046 176.117 0.155 0.000 1.039 994 I CA -0.537 60.878 61.300 0.191 0.000 1.074 994 I CB 1.579 39.715 38.000 0.228 0.000 1.228 994 I HN -0.233 nan 8.210 nan 0.000 0.436 995 S N 4.588 120.386 115.700 0.163 0.000 2.525 995 S HA 0.289 4.758 4.470 -0.001 0.000 0.278 995 S C 0.961 175.516 174.600 -0.075 0.000 1.234 995 S CA -0.308 57.967 58.200 0.125 0.000 1.058 995 S CB 0.982 64.334 63.200 0.252 0.000 0.983 995 S HN 0.473 nan 8.310 nan 0.000 0.495 996 E N 3.409 123.445 120.200 -0.274 0.000 2.481 996 E HA 0.022 4.371 4.350 -0.001 0.000 0.195 996 E C 0.127 176.296 176.600 -0.717 0.000 1.047 996 E CA 0.752 56.802 56.400 -0.583 0.000 0.867 996 E CB 0.033 29.259 29.700 -0.790 0.000 0.858 996 E HN 0.831 nan 8.360 nan 0.000 0.513 997 Y N -0.198 120.058 120.300 -0.073 0.000 2.678 997 Y HA 0.267 4.817 4.550 -0.001 0.000 0.274 997 Y C 1.225 177.094 175.900 -0.051 0.000 1.114 997 Y CA -0.589 57.424 58.100 -0.145 0.000 1.274 997 Y CB 0.124 38.203 38.460 -0.635 0.000 1.438 997 Y HN -0.197 nan 8.280 nan 0.000 0.493 998 I N 3.603 124.194 120.570 0.035 0.000 3.022 998 I HA -0.258 3.911 4.170 -0.001 0.000 0.290 998 I C 0.881 177.206 176.117 0.346 0.000 1.212 998 I CA 1.196 62.606 61.300 0.183 0.000 1.377 998 I CB -0.464 37.752 38.000 0.361 0.000 1.417 998 I HN 0.624 nan 8.210 nan 0.000 0.540 999 N N 4.321 123.167 118.700 0.243 0.000 2.850 999 N HA -0.194 4.546 4.740 -0.001 0.000 0.249 999 N C -0.314 175.329 175.510 0.222 0.000 1.060 999 N CA 0.552 53.689 53.050 0.145 0.000 0.825 999 N CB -0.149 38.382 38.487 0.073 0.000 1.132 999 N HN 0.628 nan 8.380 nan 0.000 0.564 1000 R N -0.227 120.457 120.500 0.306 0.000 2.599 1000 R HA 0.258 4.597 4.340 -0.001 0.000 0.295 1000 R C -0.796 175.742 176.300 0.396 0.000 0.963 1000 R CA -0.606 55.712 56.100 0.364 0.000 0.883 1000 R CB 0.690 31.171 30.300 0.301 0.000 1.171 1000 R HN 0.087 nan 8.270 nan 0.000 0.450 1001 W N 3.936 125.468 121.300 0.387 0.000 2.295 1001 W HA 0.052 4.711 4.660 -0.001 0.000 0.335 1001 W C 0.101 177.026 176.519 0.677 0.000 1.351 1001 W CA 0.466 58.069 57.345 0.430 0.000 1.273 1001 W CB 0.157 29.848 29.460 0.385 0.000 1.214 1001 W HN 0.435 nan 8.180 nan 0.000 0.563 1002 F N 2.476 122.905 119.950 0.799 0.000 2.601 1002 F HA 0.562 5.089 4.527 -0.001 0.000 0.309 1002 F C -1.482 174.463 175.800 0.241 0.000 1.089 1002 F CA -2.670 55.644 58.000 0.524 0.000 0.940 1002 F CB 0.553 39.809 39.000 0.426 0.000 1.273 1002 F HN 0.116 nan 8.300 nan 0.000 0.450 1003 F N 3.308 123.095 119.950 -0.273 0.000 2.438 1003 F HA 0.690 5.217 4.527 -0.001 0.000 0.356 1003 F C -0.878 174.624 175.800 -0.495 0.000 1.099 1003 F CA -1.042 56.392 58.000 -0.944 0.000 1.185 1003 F CB 1.038 39.315 39.000 -1.205 0.000 1.115 1003 F HN 0.418 nan 8.300 nan 0.000 0.526 1004 V N 4.650 123.942 119.914 -1.037 0.000 2.769 1004 V HA 0.658 4.777 4.120 -0.001 0.000 0.312 1004 V C -0.573 174.732 176.094 -1.315 0.000 1.061 1004 V CA -0.629 61.045 62.300 -1.043 0.000 0.931 1004 V CB 2.236 33.406 31.823 -1.088 0.000 1.010 1004 V HN 0.827 nan 8.190 nan 0.000 0.433 1005 T N 4.844 118.842 114.554 -0.926 0.000 3.172 1005 T HA 0.581 4.931 4.350 -0.001 0.000 0.320 1005 T C -0.854 173.523 174.700 -0.540 0.000 1.085 1005 T CA -0.224 61.407 62.100 -0.783 0.000 1.052 1005 T CB 1.088 69.445 68.868 -0.852 0.000 1.107 1005 T HN 0.411 nan 8.240 nan 0.000 0.458 1006 I N 3.366 123.571 120.570 -0.607 0.000 2.378 1006 I HA 0.558 4.727 4.170 -0.001 0.000 0.291 1006 I C 0.498 176.175 176.117 -0.733 0.000 0.992 1006 I CA -0.756 60.115 61.300 -0.715 0.000 1.154 1006 I CB 1.986 39.257 38.000 -1.214 0.000 1.315 1006 I HN 0.669 nan 8.210 nan 0.000 0.448 1007 T N 2.226 116.458 114.554 -0.537 0.000 2.887 1007 T HA 0.554 4.904 4.350 -0.001 0.000 0.288 1007 T C -0.678 173.765 174.700 -0.428 0.000 1.021 1007 T CA -0.919 60.893 62.100 -0.480 0.000 1.000 1007 T CB 1.752 70.441 68.868 -0.299 0.000 1.034 1007 T HN 0.549 nan 8.240 nan 0.000 0.467 1008 N N 2.407 120.842 118.700 -0.442 0.000 2.235 1008 N HA 0.478 5.217 4.740 -0.001 0.000 0.293 1008 N C -1.191 174.268 175.510 -0.085 0.000 1.083 1008 N CA -0.743 52.159 53.050 -0.246 0.000 0.801 1008 N CB 2.561 40.866 38.487 -0.304 0.000 1.559 1008 N HN 0.893 nan 8.380 nan 0.000 0.472 1009 N N -0.170 118.532 118.700 0.004 0.000 3.229 1009 N HA 0.331 5.071 4.740 -0.001 0.000 0.315 1009 N C 0.462 176.022 175.510 0.084 0.000 1.520 1009 N CA -0.682 52.395 53.050 0.044 0.000 0.769 1009 N CB 0.258 38.751 38.487 0.009 0.000 1.766 1009 N HN 0.157 nan 8.380 nan 0.000 0.618 1010 L N -0.719 120.550 121.223 0.077 0.000 2.187 1010 L HA 0.057 4.397 4.340 -0.001 0.000 0.213 1010 L C 1.238 178.148 176.870 0.067 0.000 1.100 1010 L CA 1.399 56.287 54.840 0.081 0.000 0.765 1010 L CB -0.946 41.151 42.059 0.063 0.000 0.904 1010 L HN 0.578 nan 8.230 nan 0.000 0.437 1011 N N -1.680 117.048 118.700 0.047 0.000 2.397 1011 N HA 0.114 4.854 4.740 -0.001 0.000 0.190 1011 N C 0.125 175.653 175.510 0.029 0.000 1.099 1011 N CA 0.204 53.275 53.050 0.035 0.000 0.876 1011 N CB 0.413 38.912 38.487 0.020 0.000 1.143 1011 N HN 0.342 nan 8.380 nan 0.000 0.468 1012 N N 0.205 118.917 118.700 0.020 0.000 2.229 1012 N HA 0.476 5.216 4.740 -0.001 0.000 0.298 1012 N C -1.400 174.109 175.510 -0.000 0.000 1.114 1012 N CA -0.350 52.702 53.050 0.004 0.000 0.776 1012 N CB 2.902 41.374 38.487 -0.025 0.000 1.501 1012 N HN -0.055 nan 8.380 nan 0.000 0.474 1013 A N 1.687 124.509 122.820 0.004 0.000 2.291 1013 A HA 0.527 4.846 4.320 -0.001 0.000 0.311 1013 A C -0.377 177.156 177.584 -0.085 0.000 1.224 1013 A CA -0.572 51.463 52.037 -0.004 0.000 0.821 1013 A CB 0.679 19.773 19.000 0.157 0.000 1.172 1013 A HN 0.523 nan 8.150 nan 0.000 0.494 1014 K N 1.748 122.049 120.400 -0.164 0.000 2.208 1014 K HA 0.735 5.054 4.320 -0.001 0.000 0.247 1014 K C -1.230 175.215 176.600 -0.258 0.000 0.953 1014 K CA -0.517 55.641 56.287 -0.215 0.000 0.837 1014 K CB 2.371 34.750 32.500 -0.202 0.000 1.131 1014 K HN 0.624 nan 8.250 nan 0.000 0.431 1015 I N 2.856 123.233 120.570 -0.322 0.000 2.439 1015 I HA 0.258 4.428 4.170 -0.001 0.000 0.285 1015 I C -1.303 174.574 176.117 -0.400 0.000 1.021 1015 I CA -0.862 60.263 61.300 -0.292 0.000 1.091 1015 I CB 0.936 38.812 38.000 -0.206 0.000 1.242 1015 I HN 0.456 nan 8.210 nan 0.000 0.439 1016 Y N 6.298 126.326 120.300 -0.454 0.000 2.360 1016 Y HA 0.509 5.059 4.550 -0.001 0.000 0.337 1016 Y C 0.045 175.596 175.900 -0.582 0.000 1.039 1016 Y CA -0.951 56.866 58.100 -0.471 0.000 1.109 1016 Y CB 1.408 39.607 38.460 -0.436 0.000 1.201 1016 Y HN 0.242 nan 8.280 nan 0.000 0.458 1017 I N 3.869 124.163 120.570 -0.461 0.000 2.389 1017 I HA 0.204 4.373 4.170 -0.001 0.000 0.288 1017 I C -0.103 175.778 176.117 -0.393 0.000 0.999 1017 I CA -1.085 59.896 61.300 -0.532 0.000 1.129 1017 I CB 1.197 38.634 38.000 -0.937 0.000 1.288 1017 I HN 0.717 nan 8.210 nan 0.000 0.444 1018 N N 5.184 123.649 118.700 -0.391 0.000 2.721 1018 N HA -0.219 4.521 4.740 -0.001 0.000 0.249 1018 N C 1.133 176.080 175.510 -0.937 0.000 1.072 1018 N CA 1.275 53.835 53.050 -0.817 0.000 0.710 1018 N CB -0.930 37.219 38.487 -0.564 0.000 0.993 1018 N HN 1.141 nan 8.380 nan 0.000 0.547 1019 G N -1.218 107.336 108.800 -0.410 0.000 2.199 1019 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.254 1019 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.254 1019 G C 0.005 174.877 174.900 -0.048 0.000 0.982 1019 G CA 0.805 45.800 45.100 -0.175 0.000 0.632 1019 G HN 0.666 nan 8.290 nan 0.000 0.529 1020 K N 0.251 120.582 120.400 -0.115 0.000 2.164 1020 K HA 0.676 4.996 4.320 -0.001 0.000 0.258 1020 K C 0.034 176.503 176.600 -0.217 0.000 0.951 1020 K CA -1.164 55.065 56.287 -0.096 0.000 0.844 1020 K CB 1.137 33.559 32.500 -0.131 0.000 1.099 1020 K HN 0.160 nan 8.250 nan 0.000 0.435 1021 L N 4.064 125.085 121.223 -0.337 0.000 2.462 1021 L HA 0.065 4.405 4.340 -0.001 0.000 0.272 1021 L C 0.472 177.082 176.870 -0.433 0.000 1.166 1021 L CA 1.008 55.437 54.840 -0.685 0.000 0.880 1021 L CB 0.550 42.237 42.059 -0.619 0.000 1.142 1021 L HN 0.809 nan 8.230 nan 0.000 0.473 1022 E N 1.982 121.910 120.200 -0.454 0.000 2.354 1022 E HA 0.249 4.599 4.350 -0.001 0.000 0.203 1022 E C -0.142 176.323 176.600 -0.224 0.000 0.841 1022 E CA 0.318 56.546 56.400 -0.287 0.000 1.046 1022 E CB 0.562 30.053 29.700 -0.349 0.000 1.040 1022 E HN 0.665 nan 8.360 nan 0.000 0.504 1023 S N 0.873 116.404 115.700 -0.282 0.000 2.599 1023 S HA 0.581 5.051 4.470 -0.001 0.000 0.287 1023 S C -0.824 173.622 174.600 -0.257 0.000 1.105 1023 S CA -0.824 57.226 58.200 -0.250 0.000 0.899 1023 S CB 2.125 65.179 63.200 -0.244 0.000 1.100 1023 S HN 0.053 nan 8.310 nan 0.000 0.482 1024 N N 0.775 119.352 118.700 -0.206 0.000 2.537 1024 N HA 0.377 5.117 4.740 -0.001 0.000 0.281 1024 N C -2.002 173.442 175.510 -0.110 0.000 1.097 1024 N CA -0.119 52.835 53.050 -0.160 0.000 0.964 1024 N CB 1.856 40.247 38.487 -0.160 0.000 1.588 1024 N HN 0.515 nan 8.380 nan 0.000 0.511 1025 T N 1.693 116.208 114.554 -0.065 0.000 2.841 1025 T HA 0.224 4.574 4.350 -0.001 0.000 0.285 1025 T C -1.018 173.682 174.700 -0.000 0.000 0.991 1025 T CA -0.607 61.478 62.100 -0.026 0.000 0.966 1025 T CB 1.283 70.158 68.868 0.011 0.000 0.962 1025 T HN 0.368 nan 8.240 nan 0.000 0.438 1026 D N 3.081 123.480 120.400 -0.000 0.000 2.383 1026 D HA 0.101 4.740 4.640 -0.001 0.000 0.252 1026 D C 0.744 177.063 176.300 0.032 0.000 1.166 1026 D CA -0.277 53.730 54.000 0.011 0.000 0.879 1026 D CB 0.641 41.444 40.800 0.005 0.000 1.164 1026 D HN 0.662 nan 8.370 nan 0.000 0.462 1027 I N 0.608 121.205 120.570 0.046 0.000 3.762 1027 I HA 0.177 4.346 4.170 -0.001 0.000 0.333 1027 I C 1.243 177.397 176.117 0.061 0.000 1.566 1027 I CA -0.748 60.591 61.300 0.065 0.000 1.129 1027 I CB 0.328 38.388 38.000 0.100 0.000 1.218 1027 I HN 0.065 nan 8.210 nan 0.000 0.456 1028 K N 1.288 121.715 120.400 0.045 0.000 2.211 1028 K HA -0.142 4.177 4.320 -0.001 0.000 0.204 1028 K C 0.797 177.422 176.600 0.041 0.000 1.047 1028 K CA 1.743 58.055 56.287 0.041 0.000 0.935 1028 K CB -0.092 32.425 32.500 0.029 0.000 0.728 1028 K HN 0.420 nan 8.250 nan 0.000 0.452 1029 D N 0.377 120.801 120.400 0.039 0.000 2.317 1029 D HA -0.019 4.620 4.640 -0.001 0.000 0.211 1029 D C 0.477 176.803 176.300 0.042 0.000 0.966 1029 D CA 0.335 54.356 54.000 0.036 0.000 0.876 1029 D CB -0.037 40.782 40.800 0.030 0.000 0.927 1029 D HN 0.054 nan 8.370 nan 0.000 0.519 1030 I N 0.833 121.435 120.570 0.054 0.000 2.638 1030 I HA 0.077 4.246 4.170 -0.001 0.000 0.286 1030 I C 1.017 177.174 176.117 0.067 0.000 1.088 1030 I CA -0.090 61.248 61.300 0.063 0.000 1.397 1030 I CB 0.690 38.740 38.000 0.084 0.000 1.414 1030 I HN -0.229 nan 8.210 nan 0.000 0.566 1031 R N 3.760 124.297 120.500 0.062 0.000 2.647 1031 R HA 0.371 4.710 4.340 -0.001 0.000 0.124 1031 R C -0.560 175.782 176.300 0.070 0.000 1.294 1031 R CA -0.830 55.305 56.100 0.060 0.000 1.060 1031 R CB -0.130 30.196 30.300 0.043 0.000 1.282 1031 R HN 0.461 nan 8.270 nan 0.000 0.430 1032 E N 2.194 122.426 120.200 0.054 0.000 2.417 1032 E HA 0.082 4.431 4.350 -0.001 0.000 0.261 1032 E C -0.687 175.944 176.600 0.051 0.000 1.000 1032 E CA 0.207 56.638 56.400 0.051 0.000 0.919 1032 E CB 0.629 30.349 29.700 0.033 0.000 0.955 1032 E HN 0.092 nan 8.360 nan 0.000 0.455 1033 V N 5.601 125.553 119.914 0.063 0.000 2.349 1033 V HA 0.218 4.338 4.120 -0.001 0.000 0.284 1033 V C 0.505 176.600 176.094 0.003 0.000 1.014 1033 V CA -0.664 61.674 62.300 0.062 0.000 0.826 1033 V CB 0.814 32.723 31.823 0.144 0.000 1.009 1033 V HN 0.572 nan 8.190 nan 0.000 0.431 1034 I N 3.792 124.345 120.570 -0.028 0.000 2.683 1034 I HA 0.110 4.279 4.170 -0.001 0.000 0.286 1034 I C 1.293 177.333 176.117 -0.127 0.000 1.175 1034 I CA 0.510 61.761 61.300 -0.082 0.000 1.429 1034 I CB 1.107 39.064 38.000 -0.071 0.000 1.371 1034 I HN 0.713 nan 8.210 nan 0.000 0.569 1035 A N 4.927 127.598 122.820 -0.247 0.000 2.324 1035 A HA 0.042 4.362 4.320 -0.001 0.000 0.220 1035 A C 1.265 178.684 177.584 -0.275 0.000 1.209 1035 A CA -0.045 51.777 52.037 -0.358 0.000 0.918 1035 A CB -0.420 17.939 19.000 -1.069 0.000 0.959 1035 A HN 0.891 nan 8.150 nan 0.000 0.507 1036 N N -0.232 118.338 118.700 -0.216 0.000 2.313 1036 N HA 0.260 4.999 4.740 -0.001 0.000 0.207 1036 N C 0.820 176.279 175.510 -0.084 0.000 1.141 1036 N CA 0.255 53.226 53.050 -0.132 0.000 0.830 1036 N CB 0.298 38.716 38.487 -0.115 0.000 1.008 1036 N HN 0.219 nan 8.380 nan 0.000 0.481 1037 G N 0.428 109.163 108.800 -0.108 0.000 2.684 1037 G HA2 0.054 4.014 3.960 -0.001 0.000 0.255 1037 G HA3 0.054 4.014 3.960 -0.001 0.000 0.255 1037 G C -0.290 174.558 174.900 -0.086 0.000 1.219 1037 G CA -0.550 44.485 45.100 -0.109 0.000 0.901 1037 G HN 0.338 nan 8.290 nan 0.000 0.548 1038 E N -0.987 119.165 120.200 -0.081 0.000 2.383 1038 E HA 0.189 4.538 4.350 -0.001 0.000 0.264 1038 E C -0.212 176.337 176.600 -0.086 0.000 1.050 1038 E CA 0.152 56.526 56.400 -0.043 0.000 0.896 1038 E CB 1.370 31.051 29.700 -0.032 0.000 0.982 1038 E HN 0.231 nan 8.360 nan 0.000 0.424 1039 I N 3.649 124.217 120.570 -0.004 0.000 2.312 1039 I HA 0.217 4.386 4.170 -0.001 0.000 0.290 1039 I C -0.375 175.757 176.117 0.025 0.000 1.008 1039 I CA -0.597 60.675 61.300 -0.046 0.000 1.226 1039 I CB 0.649 38.750 38.000 0.168 0.000 1.371 1039 I HN 0.232 nan 8.210 nan 0.000 0.468 1040 I N 6.738 127.234 120.570 -0.123 0.000 2.355 1040 I HA 0.302 4.471 4.170 -0.001 0.000 0.288 1040 I C -0.559 175.514 176.117 -0.073 0.000 0.999 1040 I CA -0.459 60.829 61.300 -0.020 0.000 1.163 1040 I CB 0.985 38.939 38.000 -0.076 0.000 1.316 1040 I HN 0.320 nan 8.210 nan 0.000 0.454 1041 F N 6.299 126.192 119.950 -0.094 0.000 2.350 1041 F HA 0.540 5.067 4.527 -0.000 0.000 0.365 1041 F C 0.515 176.295 175.800 -0.034 0.000 1.122 1041 F CA -0.445 57.518 58.000 -0.063 0.000 1.139 1041 F CB 0.693 39.643 39.000 -0.084 0.000 1.220 1041 F HN 0.367 nan 8.300 nan 0.000 0.499 1042 K N 3.669 124.134 120.400 0.108 0.000 2.589 1042 K HA 0.361 4.680 4.320 -0.001 0.000 0.265 1042 K C -1.822 174.826 176.600 0.081 0.000 0.935 1042 K CA -0.686 55.646 56.287 0.076 0.000 0.850 1042 K CB 1.532 34.040 32.500 0.013 0.000 1.372 1042 K HN 0.525 nan 8.250 nan 0.000 0.420 1043 L N 3.189 124.471 121.223 0.098 0.000 2.385 1043 L HA 0.209 4.548 4.340 -0.001 0.000 0.281 1043 L C -0.391 176.536 176.870 0.094 0.000 1.106 1043 L CA -0.103 54.825 54.840 0.147 0.000 0.856 1043 L CB 0.414 42.536 42.059 0.104 0.000 1.186 1043 L HN 0.540 nan 8.230 nan 0.000 0.453 1044 D N 2.898 123.367 120.400 0.115 0.000 2.440 1044 D HA 0.695 5.334 4.640 -0.001 0.000 0.239 1044 D C 0.016 176.367 176.300 0.084 0.000 1.084 1044 D CA 0.251 54.287 54.000 0.061 0.000 0.843 1044 D CB 1.488 42.299 40.800 0.018 0.000 1.097 1044 D HN 0.685 nan 8.370 nan 0.000 0.531 1045 G N 2.738 111.569 108.800 0.052 0.000 2.357 1045 G HA2 0.077 4.036 3.960 -0.001 0.000 0.289 1045 G HA3 0.077 4.036 3.960 -0.001 0.000 0.289 1045 G C -1.332 173.578 174.900 0.017 0.000 1.302 1045 G CA -1.017 44.114 45.100 0.052 0.000 0.936 1045 G HN 0.384 nan 8.290 nan 0.000 0.513 1046 D N 0.855 121.263 120.400 0.014 0.000 2.435 1046 D HA 0.475 5.114 4.640 -0.001 0.000 0.230 1046 D C 0.932 177.205 176.300 -0.045 0.000 1.215 1046 D CA -0.104 53.888 54.000 -0.013 0.000 0.947 1046 D CB -0.436 40.362 40.800 -0.004 0.000 1.048 1046 D HN 0.648 nan 8.370 nan 0.000 0.512 1047 I N -0.974 119.537 120.570 -0.099 0.000 2.797 1047 I HA 0.506 4.675 4.170 -0.001 0.000 0.307 1047 I C 0.278 176.319 176.117 -0.127 0.000 1.033 1047 I CA -1.216 59.969 61.300 -0.191 0.000 1.071 1047 I CB 1.571 39.343 38.000 -0.381 0.000 1.255 1047 I HN -0.005 nan 8.210 nan 0.000 0.445 1048 D N 2.515 122.840 120.400 -0.125 0.000 2.419 1048 D HA -0.037 4.603 4.640 -0.001 0.000 0.236 1048 D C 0.925 177.188 176.300 -0.063 0.000 1.165 1048 D CA 0.206 54.165 54.000 -0.068 0.000 0.882 1048 D CB 1.244 42.014 40.800 -0.050 0.000 1.201 1048 D HN 0.730 nan 8.370 nan 0.000 0.443 1049 R N 0.920 121.400 120.500 -0.032 0.000 2.148 1049 R HA -0.118 4.221 4.340 -0.001 0.000 0.227 1049 R C 1.622 177.923 176.300 0.000 0.000 1.103 1049 R CA 1.719 57.808 56.100 -0.019 0.000 0.983 1049 R CB -0.111 30.182 30.300 -0.011 0.000 0.874 1049 R HN 0.583 nan 8.270 nan 0.000 0.451 1050 T N -2.439 112.126 114.554 0.017 0.000 3.065 1050 T HA -0.003 4.346 4.350 -0.001 0.000 0.252 1050 T C 0.728 175.516 174.700 0.146 0.000 1.099 1050 T CA -0.348 61.797 62.100 0.075 0.000 1.063 1050 T CB 0.070 68.987 68.868 0.081 0.000 0.948 1050 T HN 0.089 nan 8.240 nan 0.000 0.506 1051 Q N 1.936 121.751 119.800 0.025 0.000 2.326 1051 Q HA 0.353 4.692 4.340 -0.001 0.000 0.314 1051 Q C -0.511 175.533 176.000 0.074 0.000 1.091 1051 Q CA 0.292 56.058 55.803 -0.062 0.000 0.974 1051 Q CB -0.142 28.455 28.738 -0.236 0.000 1.220 1051 Q HN 0.636 nan 8.270 nan 0.000 0.398 1052 F N 1.247 121.160 119.950 -0.061 0.000 2.713 1052 F HA 0.748 5.275 4.527 -0.001 0.000 0.311 1052 F C -1.704 174.082 175.800 -0.023 0.000 1.141 1052 F CA -1.342 56.613 58.000 -0.074 0.000 0.939 1052 F CB 1.131 40.052 39.000 -0.131 0.000 1.325 1052 F HN 0.308 nan 8.300 nan 0.000 0.453 1053 I N 1.233 121.899 120.570 0.160 0.000 2.722 1053 I HA 0.266 4.436 4.170 -0.001 0.000 0.295 1053 I C -1.776 174.377 176.117 0.060 0.000 1.161 1053 I CA -0.943 60.422 61.300 0.109 0.000 1.032 1053 I CB 2.008 40.100 38.000 0.152 0.000 1.244 1053 I HN 0.850 nan 8.210 nan 0.000 0.421 1054 W N 6.059 127.389 121.300 0.050 0.000 2.573 1054 W HA 0.717 5.376 4.660 -0.001 0.000 0.326 1054 W C -0.117 176.361 176.519 -0.067 0.000 1.049 1054 W CA -0.352 56.980 57.345 -0.021 0.000 1.220 1054 W CB 1.783 31.111 29.460 -0.220 0.000 1.373 1054 W HN 0.178 nan 8.180 nan 0.000 0.507 1055 M N 2.713 122.412 119.600 0.165 0.000 2.631 1055 M HA 0.490 4.970 4.480 -0.001 0.000 0.288 1055 M C -0.832 175.445 176.300 -0.037 0.000 1.260 1055 M CA -1.095 54.246 55.300 0.069 0.000 0.842 1055 M CB 3.004 35.444 32.600 -0.266 0.000 1.743 1055 M HN 0.321 nan 8.290 nan 0.000 0.461 1056 K N 0.463 121.029 120.400 0.278 0.000 2.562 1056 K HA 0.346 4.665 4.320 -0.001 0.000 0.267 1056 K C -1.357 175.526 176.600 0.471 0.000 0.938 1056 K CA -0.478 55.877 56.287 0.114 0.000 0.840 1056 K CB 1.446 33.728 32.500 -0.364 0.000 1.390 1056 K HN 0.792 nan 8.250 nan 0.000 0.428 1057 Y N 0.996 121.567 120.300 0.452 0.000 3.305 1057 Y HA -0.296 4.253 4.550 -0.001 0.000 0.212 1057 Y C -0.342 175.919 175.900 0.603 0.000 1.248 1057 Y CA -0.024 58.369 58.100 0.488 0.000 1.359 1057 Y CB -1.369 37.369 38.460 0.463 0.000 1.407 1057 Y HN 0.498 nan 8.280 nan 0.000 0.572 1058 F N 2.476 122.853 119.950 0.711 0.000 2.578 1058 F HA 0.339 4.866 4.527 -0.001 0.000 0.381 1058 F C 0.606 176.725 175.800 0.533 0.000 1.069 1058 F CA 0.498 58.907 58.000 0.682 0.000 1.231 1058 F CB 0.520 39.976 39.000 0.761 0.000 1.086 1058 F HN 0.081 nan 8.300 nan 0.000 0.564 1059 S N 5.991 121.539 115.700 -0.253 0.000 2.579 1059 S HA 0.804 5.273 4.470 -0.001 0.000 0.272 1059 S C -1.076 173.354 174.600 -0.283 0.000 1.141 1059 S CA -1.017 57.108 58.200 -0.126 0.000 0.843 1059 S CB 1.734 64.966 63.200 0.053 0.000 1.122 1059 S HN 0.569 nan 8.310 nan 0.000 0.468 1060 I N 1.091 121.522 120.570 -0.232 0.000 2.730 1060 I HA 0.621 4.791 4.170 -0.001 0.000 0.298 1060 I C -1.626 174.290 176.117 -0.334 0.000 1.089 1060 I CA -0.742 60.507 61.300 -0.086 0.000 1.041 1060 I CB 1.948 40.053 38.000 0.175 0.000 1.235 1060 I HN 0.582 nan 8.210 nan 0.000 0.423 1061 F N 2.478 122.394 119.950 -0.057 0.000 2.565 1061 F HA 0.321 4.847 4.527 -0.001 0.000 0.313 1061 F C 0.417 176.121 175.800 -0.159 0.000 1.091 1061 F CA -1.123 56.836 58.000 -0.068 0.000 0.915 1061 F CB 1.279 40.220 39.000 -0.099 0.000 1.208 1061 F HN 0.450 nan 8.300 nan 0.000 0.453 1062 N N 0.230 118.952 118.700 0.036 0.000 2.575 1062 N HA 0.186 4.926 4.740 -0.001 0.000 0.275 1062 N C -0.469 175.037 175.510 -0.006 0.000 1.202 1062 N CA -0.009 52.978 53.050 -0.106 0.000 0.945 1062 N CB 0.709 39.245 38.487 0.081 0.000 1.247 1062 N HN 0.623 nan 8.380 nan 0.000 0.510 1063 T N -1.445 113.109 114.554 -0.000 0.000 2.769 1063 T HA 0.198 4.547 4.350 -0.001 0.000 0.306 1063 T C -1.987 172.661 174.700 -0.087 0.000 1.400 1063 T CA -0.736 61.356 62.100 -0.013 0.000 1.007 1063 T CB 1.542 70.413 68.868 0.005 0.000 1.392 1063 T HN 0.219 nan 8.240 nan 0.000 0.500 1064 E N 2.747 122.888 120.200 -0.100 0.000 2.089 1064 E HA 0.341 4.690 4.350 -0.001 0.000 0.284 1064 E C -0.422 176.058 176.600 -0.201 0.000 1.023 1064 E CA -0.354 55.950 56.400 -0.161 0.000 0.819 1064 E CB 0.364 29.998 29.700 -0.110 0.000 1.076 1064 E HN 0.493 nan 8.360 nan 0.000 0.396 1065 L N 3.565 124.603 121.223 -0.309 0.000 2.426 1065 L HA 0.071 4.410 4.340 -0.001 0.000 0.271 1065 L C 0.918 177.586 176.870 -0.338 0.000 1.169 1065 L CA -0.213 54.402 54.840 -0.374 0.000 0.836 1065 L CB 0.890 42.612 42.059 -0.561 0.000 1.112 1065 L HN 0.574 nan 8.230 nan 0.000 0.465 1066 S N 1.690 117.227 115.700 -0.271 0.000 2.603 1066 S HA 0.036 4.506 4.470 -0.001 0.000 0.268 1066 S C 0.700 175.132 174.600 -0.280 0.000 1.317 1066 S CA -0.593 57.481 58.200 -0.210 0.000 1.012 1066 S CB 1.563 64.678 63.200 -0.141 0.000 0.926 1066 S HN 0.693 nan 8.310 nan 0.000 0.539 1067 Q N 1.173 120.867 119.800 -0.177 0.000 2.124 1067 Q HA -0.129 4.211 4.340 -0.001 0.000 0.202 1067 Q C 2.132 178.052 176.000 -0.134 0.000 0.977 1067 Q CA 2.280 57.996 55.803 -0.144 0.000 0.850 1067 Q CB -0.939 27.843 28.738 0.074 0.000 0.901 1067 Q HN 0.848 nan 8.270 nan 0.000 0.429 1068 S N 0.748 116.388 115.700 -0.100 0.000 2.382 1068 S HA -0.131 4.339 4.470 -0.001 0.000 0.228 1068 S C 1.770 176.305 174.600 -0.108 0.000 1.027 1068 S CA 1.413 59.566 58.200 -0.080 0.000 0.991 1068 S CB -0.352 62.810 63.200 -0.063 0.000 0.823 1068 S HN 0.575 nan 8.310 nan 0.000 0.469 1069 N N 0.930 119.537 118.700 -0.156 0.000 2.142 1069 N HA -0.063 4.676 4.740 -0.001 0.000 0.186 1069 N C 1.860 177.263 175.510 -0.178 0.000 1.023 1069 N CA 1.530 54.472 53.050 -0.180 0.000 0.852 1069 N CB -0.306 38.044 38.487 -0.229 0.000 0.998 1069 N HN 0.510 nan 8.380 nan 0.000 0.424 1070 I N 1.182 121.610 120.570 -0.237 0.000 2.179 1070 I HA -0.187 3.983 4.170 -0.001 0.000 0.242 1070 I C 2.597 178.727 176.117 0.021 0.000 1.088 1070 I CA 0.877 62.069 61.300 -0.180 0.000 1.357 1070 I CB -0.324 37.393 38.000 -0.472 0.000 1.051 1070 I HN 0.148 nan 8.210 nan 0.000 0.409 1071 E N 0.832 121.022 120.200 -0.017 0.000 2.070 1071 E HA -0.292 4.058 4.350 -0.001 0.000 0.197 1071 E C 1.968 178.612 176.600 0.073 0.000 1.004 1071 E CA 1.659 58.101 56.400 0.070 0.000 0.805 1071 E CB -0.045 29.673 29.700 0.030 0.000 0.744 1071 E HN 0.396 nan 8.360 nan 0.000 0.451 1072 E N 0.720 120.914 120.200 -0.009 0.000 2.038 1072 E HA -0.181 4.168 4.350 -0.001 0.000 0.195 1072 E C 2.211 178.781 176.600 -0.049 0.000 1.000 1072 E CA 1.640 58.013 56.400 -0.045 0.000 0.803 1072 E CB -0.241 29.401 29.700 -0.096 0.000 0.750 1072 E HN 0.089 nan 8.360 nan 0.000 0.448 1073 R N -1.169 119.309 120.500 -0.036 0.000 2.105 1073 R HA -0.213 4.126 4.340 -0.001 0.000 0.239 1073 R C 2.307 178.508 176.300 -0.165 0.000 1.135 1073 R CA 1.564 57.641 56.100 -0.039 0.000 0.967 1073 R CB -0.522 29.821 30.300 0.072 0.000 0.861 1073 R HN 0.325 nan 8.270 nan 0.000 0.442 1074 Y N 1.403 121.487 120.300 -0.360 0.000 2.128 1074 Y HA -0.213 4.337 4.550 -0.001 0.000 0.284 1074 Y C 1.729 177.526 175.900 -0.171 0.000 1.154 1074 Y CA 1.785 59.542 58.100 -0.572 0.000 1.149 1074 Y CB -0.143 38.170 38.460 -0.246 0.000 0.976 1074 Y HN -0.039 nan 8.280 nan 0.000 0.505 1075 K N -0.033 120.248 120.400 -0.198 0.000 2.026 1075 K HA -0.157 4.163 4.320 -0.001 0.000 0.208 1075 K C 2.194 178.699 176.600 -0.158 0.000 1.048 1075 K CA 1.963 58.113 56.287 -0.228 0.000 0.929 1075 K CB -0.353 32.083 32.500 -0.108 0.000 0.713 1075 K HN 0.352 nan 8.250 nan 0.000 0.439 1076 I N 1.408 121.906 120.570 -0.120 0.000 2.179 1076 I HA -0.306 3.864 4.170 -0.001 0.000 0.242 1076 I C 2.237 178.320 176.117 -0.057 0.000 1.088 1076 I CA 1.447 62.692 61.300 -0.091 0.000 1.357 1076 I CB -0.208 37.734 38.000 -0.096 0.000 1.051 1076 I HN 0.244 nan 8.210 nan 0.000 0.409 1077 Q N -0.249 119.514 119.800 -0.062 0.000 2.369 1077 Q HA -0.065 4.274 4.340 -0.001 0.000 0.206 1077 Q C 2.039 177.961 176.000 -0.130 0.000 0.963 1077 Q CA 0.925 56.715 55.803 -0.023 0.000 0.894 1077 Q CB 0.059 28.913 28.738 0.193 0.000 0.965 1077 Q HN 0.371 nan 8.270 nan 0.000 0.475 1078 S N -0.210 115.414 115.700 -0.128 0.000 2.558 1078 S HA 0.002 4.471 4.470 -0.001 0.000 0.217 1078 S C -0.021 174.485 174.600 -0.156 0.000 0.975 1078 S CA -0.246 57.838 58.200 -0.193 0.000 0.912 1078 S CB 0.001 63.041 63.200 -0.267 0.000 0.776 1078 S HN 0.335 nan 8.310 nan 0.000 0.526 1079 Y N 3.578 123.736 120.300 -0.236 0.000 2.346 1079 Y HA 0.431 4.981 4.550 -0.001 0.000 0.330 1079 Y C 0.217 175.931 175.900 -0.310 0.000 1.178 1079 Y CA -0.395 57.564 58.100 -0.236 0.000 1.331 1079 Y CB 0.447 38.797 38.460 -0.185 0.000 1.253 1079 Y HN 0.128 nan 8.280 nan 0.000 0.529 1080 S N 2.759 117.730 115.700 -1.214 0.000 2.580 1080 S HA 0.185 4.655 4.470 -0.001 0.000 0.281 1080 S C -0.083 173.826 174.600 -1.153 0.000 1.129 1080 S CA -0.474 56.989 58.200 -1.228 0.000 0.862 1080 S CB 0.996 63.323 63.200 -1.454 0.000 1.090 1080 S HN 0.802 nan 8.310 nan 0.000 0.451 1081 E N 0.652 120.335 120.200 -0.863 0.000 2.152 1081 E HA -0.042 4.307 4.350 -0.001 0.000 0.192 1081 E C 0.317 176.714 176.600 -0.339 0.000 0.983 1081 E CA 0.650 56.762 56.400 -0.481 0.000 0.818 1081 E CB -0.546 29.008 29.700 -0.244 0.000 0.758 1081 E HN 0.775 nan 8.360 nan 0.000 0.467 1082 Y N 0.823 120.979 120.300 -0.240 0.000 2.316 1082 Y HA 0.540 5.090 4.550 -0.001 0.000 0.324 1082 Y C 0.095 175.869 175.900 -0.210 0.000 1.267 1082 Y CA -1.673 56.306 58.100 -0.202 0.000 1.311 1082 Y CB 0.467 38.821 38.460 -0.177 0.000 1.267 1082 Y HN -0.225 nan 8.280 nan 0.000 0.516 1083 L N 2.558 123.815 121.223 0.056 0.000 2.468 1083 L HA 0.456 4.796 4.340 -0.001 0.000 0.254 1083 L C 0.050 176.959 176.870 0.065 0.000 1.171 1083 L CA -0.919 53.919 54.840 -0.004 0.000 0.809 1083 L CB 0.806 42.822 42.059 -0.071 0.000 1.155 1083 L HN 0.709 nan 8.230 nan 0.000 0.473 1084 K N -0.239 120.168 120.400 0.013 0.000 2.306 1084 K HA 0.407 4.726 4.320 -0.001 0.000 0.236 1084 K C -1.257 175.288 176.600 -0.093 0.000 1.013 1084 K CA -0.954 55.297 56.287 -0.059 0.000 0.857 1084 K CB 1.419 33.824 32.500 -0.158 0.000 1.214 1084 K HN 0.558 nan 8.250 nan 0.000 0.449 1085 D N -0.414 119.904 120.400 -0.136 0.000 2.539 1085 D HA 0.029 4.668 4.640 -0.001 0.000 0.276 1085 D C 0.742 176.957 176.300 -0.142 0.000 1.206 1085 D CA -0.631 53.311 54.000 -0.097 0.000 1.081 1085 D CB 0.020 40.806 40.800 -0.023 0.000 1.142 1085 D HN 0.424 nan 8.370 nan 0.000 0.595 1086 F N -0.579 119.167 119.950 -0.339 0.000 2.154 1086 F HA -0.057 4.469 4.527 -0.001 0.000 0.301 1086 F C 1.497 177.017 175.800 -0.467 0.000 1.087 1086 F CA 1.264 58.949 58.000 -0.524 0.000 1.274 1086 F CB -0.107 38.330 39.000 -0.937 0.000 1.009 1086 F HN 0.368 nan 8.300 nan 0.000 0.485 1087 W N -0.424 120.890 121.300 0.023 0.000 2.905 1087 W HA 0.276 4.935 4.660 -0.001 0.000 0.251 1087 W C 1.795 178.254 176.519 -0.102 0.000 1.305 1087 W CA 0.504 57.837 57.345 -0.019 0.000 1.465 1087 W CB -0.234 29.277 29.460 0.085 0.000 1.122 1087 W HN 0.181 nan 8.180 nan 0.000 0.659 1088 G N 0.080 108.686 108.800 -0.324 0.000 2.148 1088 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.203 1088 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.203 1088 G C -0.039 174.728 174.900 -0.222 0.000 0.993 1088 G CA -0.505 44.168 45.100 -0.711 0.000 0.661 1088 G HN 0.139 nan 8.290 nan 0.000 0.518 1089 N N 0.746 119.418 118.700 -0.046 0.000 2.476 1089 N HA 0.547 5.286 4.740 -0.001 0.000 0.276 1089 N C -2.815 172.620 175.510 -0.125 0.000 1.204 1089 N CA -1.633 51.377 53.050 -0.067 0.000 0.974 1089 N CB 0.860 39.370 38.487 0.039 0.000 1.204 1089 N HN -0.039 nan 8.380 nan 0.000 0.543 1090 P HA 0.017 nan 4.420 nan 0.000 0.264 1090 P C -0.170 177.018 177.300 -0.188 0.000 1.193 1090 P CA -0.233 62.656 63.100 -0.350 0.000 0.763 1090 P CB 0.400 31.664 31.700 -0.728 0.000 0.810 1091 L N 5.122 126.247 121.223 -0.163 0.000 2.410 1091 L HA 0.226 4.566 4.340 -0.001 0.000 0.273 1091 L C -0.240 176.528 176.870 -0.170 0.000 1.152 1091 L CA 0.987 55.720 54.840 -0.179 0.000 0.855 1091 L CB -0.241 41.648 42.059 -0.283 0.000 1.129 1091 L HN 0.275 nan 8.230 nan 0.000 0.463 1092 M N 4.800 124.401 119.600 0.001 0.000 2.528 1092 M HA 0.313 4.793 4.480 -0.001 0.000 0.321 1092 M C -0.762 175.525 176.300 -0.021 0.000 1.153 1092 M CA -0.451 54.833 55.300 -0.028 0.000 0.951 1092 M CB 1.464 34.076 32.600 0.020 0.000 1.705 1092 M HN 0.376 nan 8.290 nan 0.000 0.451 1093 Y N 1.631 121.921 120.300 -0.016 0.000 2.326 1093 Y HA 0.149 4.699 4.550 -0.001 0.000 0.333 1093 Y C 0.967 176.854 175.900 -0.021 0.000 1.240 1093 Y CA 0.510 58.597 58.100 -0.021 0.000 1.365 1093 Y CB 0.534 38.974 38.460 -0.034 0.000 1.289 1093 Y HN 0.761 nan 8.280 nan 0.000 0.548 1094 N N 0.808 119.610 118.700 0.170 0.000 2.747 1094 N HA -0.246 4.494 4.740 -0.001 0.000 0.249 1094 N C -0.751 174.763 175.510 0.006 0.000 1.107 1094 N CA 0.882 53.985 53.050 0.089 0.000 0.707 1094 N CB -0.925 37.612 38.487 0.083 0.000 1.054 1094 N HN 0.602 nan 8.380 nan 0.000 0.555 1095 K N 0.954 121.294 120.400 -0.100 0.000 2.378 1095 K HA 0.276 4.595 4.320 -0.001 0.000 0.252 1095 K C -0.562 175.750 176.600 -0.480 0.000 0.931 1095 K CA -0.514 55.585 56.287 -0.314 0.000 0.794 1095 K CB 1.516 33.729 32.500 -0.478 0.000 1.181 1095 K HN 0.014 nan 8.250 nan 0.000 0.425 1096 E N 3.127 123.140 120.200 -0.311 0.000 2.366 1096 E HA 0.046 4.395 4.350 -0.001 0.000 0.266 1096 E C -1.134 175.290 176.600 -0.294 0.000 1.015 1096 E CA 0.374 56.665 56.400 -0.182 0.000 0.906 1096 E CB 0.466 30.117 29.700 -0.081 0.000 0.979 1096 E HN 0.375 nan 8.360 nan 0.000 0.443 1097 Y N 1.436 121.806 120.300 0.117 0.000 2.492 1097 Y HA 0.278 4.827 4.550 -0.001 0.000 0.346 1097 Y C -0.607 175.406 175.900 0.190 0.000 0.997 1097 Y CA -1.204 57.024 58.100 0.213 0.000 1.025 1097 Y CB 1.270 39.959 38.460 0.382 0.000 1.263 1097 Y HN 0.439 nan 8.280 nan 0.000 0.454 1098 Y N 2.039 122.613 120.300 0.457 0.000 2.354 1098 Y HA 0.495 5.044 4.550 -0.001 0.000 0.322 1098 Y C 0.087 176.151 175.900 0.273 0.000 1.253 1098 Y CA -0.700 57.618 58.100 0.363 0.000 1.272 1098 Y CB 1.023 39.619 38.460 0.227 0.000 1.255 1098 Y HN 0.359 nan 8.280 nan 0.000 0.500 1099 M N 3.038 122.846 119.600 0.347 0.000 2.268 1099 M HA 0.300 4.780 4.480 -0.001 0.000 0.344 1099 M C -1.383 175.044 176.300 0.212 0.000 1.106 1099 M CA -0.521 54.814 55.300 0.058 0.000 1.010 1099 M CB 1.326 33.700 32.600 -0.377 0.000 1.649 1099 M HN 0.572 nan 8.290 nan 0.000 0.443 1100 F N 3.598 123.547 119.950 -0.002 0.000 2.480 1100 F HA 0.494 5.020 4.527 -0.001 0.000 0.329 1100 F C -0.635 175.123 175.800 -0.071 0.000 1.091 1100 F CA -0.630 57.349 58.000 -0.036 0.000 0.972 1100 F CB 1.075 40.002 39.000 -0.121 0.000 1.150 1100 F HN 0.485 nan 8.300 nan 0.000 0.467 1101 N N 4.241 122.283 118.700 -1.096 0.000 2.443 1101 N HA 0.344 5.084 4.740 -0.001 0.000 0.269 1101 N C 0.311 175.070 175.510 -1.251 0.000 0.985 1101 N CA 0.231 52.563 53.050 -1.196 0.000 0.921 1101 N CB 2.040 39.858 38.487 -1.115 0.000 1.195 1101 N HN 0.896 nan 8.380 nan 0.000 0.492 1102 A N 3.200 125.539 122.820 -0.802 0.000 1.940 1102 A HA -0.068 4.252 4.320 -0.001 0.000 0.219 1102 A C 1.820 179.219 177.584 -0.309 0.000 1.176 1102 A CA 2.007 53.815 52.037 -0.381 0.000 0.631 1102 A CB -0.751 18.192 19.000 -0.094 0.000 0.814 1102 A HN 0.717 nan 8.150 nan 0.000 0.446 1103 G N -0.882 107.712 108.800 -0.344 0.000 2.484 1103 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.218 1103 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.218 1103 G C 0.341 175.125 174.900 -0.193 0.000 1.130 1103 G CA 0.764 45.739 45.100 -0.209 0.000 0.784 1103 G HN 0.606 nan 8.290 nan 0.000 0.543 1104 N N -0.358 118.161 118.700 -0.301 0.000 2.733 1104 N HA 0.193 4.933 4.740 -0.001 0.000 0.271 1104 N C 1.054 176.392 175.510 -0.287 0.000 1.720 1104 N CA -0.345 52.573 53.050 -0.220 0.000 0.803 1104 N CB 1.249 39.630 38.487 -0.176 0.000 1.208 1104 N HN 0.322 nan 8.380 nan 0.000 0.498 1105 K N -0.274 119.978 120.400 -0.246 0.000 2.144 1105 K HA -0.198 4.122 4.320 -0.001 0.000 0.209 1105 K C 0.498 177.111 176.600 0.022 0.000 1.047 1105 K CA 1.372 57.566 56.287 -0.154 0.000 0.927 1105 K CB -0.063 32.525 32.500 0.147 0.000 0.716 1105 K HN 0.154 nan 8.250 nan 0.000 0.454 1106 N N 0.654 119.370 118.700 0.026 0.000 2.383 1106 N HA 0.057 4.797 4.740 -0.001 0.000 0.192 1106 N C -0.507 175.047 175.510 0.073 0.000 1.141 1106 N CA 0.192 53.289 53.050 0.078 0.000 0.851 1106 N CB 0.566 39.094 38.487 0.069 0.000 0.976 1106 N HN 0.180 nan 8.380 nan 0.000 0.465 1107 S N 0.292 115.998 115.700 0.010 0.000 2.638 1107 S HA 0.603 5.072 4.470 -0.001 0.000 0.298 1107 S C -0.535 174.127 174.600 0.104 0.000 1.111 1107 S CA -0.677 57.525 58.200 0.003 0.000 1.027 1107 S CB 1.305 64.464 63.200 -0.069 0.000 1.064 1107 S HN 0.361 nan 8.310 nan 0.000 0.525 1108 Y N -1.325 118.980 120.300 0.007 0.000 2.625 1108 Y HA 0.767 5.316 4.550 -0.001 0.000 0.338 1108 Y C -1.518 174.399 175.900 0.030 0.000 1.123 1108 Y CA -1.490 56.635 58.100 0.041 0.000 1.046 1108 Y CB 0.469 38.971 38.460 0.069 0.000 1.299 1108 Y HN 0.484 nan 8.280 nan 0.000 0.464 1109 I N 2.532 123.240 120.570 0.231 0.000 2.385 1109 I HA 0.480 4.650 4.170 -0.001 0.000 0.294 1109 I C -0.656 175.524 176.117 0.105 0.000 0.988 1109 I CA -0.605 60.712 61.300 0.028 0.000 1.265 1109 I CB 1.642 39.537 38.000 -0.176 0.000 1.388 1109 I HN 0.573 nan 8.210 nan 0.000 0.480 1110 K N 5.758 126.150 120.400 -0.013 0.000 2.581 1110 K HA 0.406 4.726 4.320 -0.001 0.000 0.249 1110 K C -1.283 175.304 176.600 -0.022 0.000 0.966 1110 K CA -0.671 55.624 56.287 0.013 0.000 0.811 1110 K CB 1.381 33.924 32.500 0.072 0.000 1.223 1110 K HN 0.430 nan 8.250 nan 0.000 0.438 1111 L N 3.545 124.735 121.223 -0.054 0.000 2.559 1111 L HA 0.141 4.481 4.340 -0.001 0.000 0.282 1111 L C -0.280 176.623 176.870 0.056 0.000 1.232 1111 L CA 0.915 55.763 54.840 0.013 0.000 0.885 1111 L CB 0.200 42.275 42.059 0.026 0.000 1.131 1111 L HN 0.625 nan 8.230 nan 0.000 0.498 1112 K N 4.062 124.524 120.400 0.103 0.000 2.219 1112 K HA 0.094 4.413 4.320 -0.001 0.000 0.258 1112 K C 0.599 177.257 176.600 0.097 0.000 1.008 1112 K CA -0.144 56.203 56.287 0.099 0.000 0.928 1112 K CB 0.614 33.201 32.500 0.145 0.000 0.983 1112 K HN 0.568 nan 8.250 nan 0.000 0.484 1113 K N 0.906 121.354 120.400 0.081 0.000 2.393 1113 K HA -0.046 4.273 4.320 -0.001 0.000 0.193 1113 K C 0.397 177.050 176.600 0.090 0.000 1.026 1113 K CA 0.643 56.975 56.287 0.075 0.000 1.064 1113 K CB 0.298 32.831 32.500 0.056 0.000 0.833 1113 K HN 0.557 nan 8.250 nan 0.000 0.521 1114 D N -1.116 119.347 120.400 0.104 0.000 2.500 1114 D HA 0.059 4.699 4.640 -0.001 0.000 0.217 1114 D C -0.065 176.314 176.300 0.133 0.000 1.159 1114 D CA -0.103 53.962 54.000 0.108 0.000 0.828 1114 D CB 0.637 41.492 40.800 0.093 0.000 1.039 1114 D HN -0.118 nan 8.370 nan 0.000 0.512 1115 S N 0.487 116.282 115.700 0.159 0.000 2.547 1115 S HA 0.436 4.906 4.470 -0.001 0.000 0.270 1115 S C -2.840 171.894 174.600 0.224 0.000 1.150 1115 S CA -1.053 57.261 58.200 0.190 0.000 0.850 1115 S CB 2.102 65.411 63.200 0.181 0.000 1.118 1115 S HN -0.148 nan 8.310 nan 0.000 0.461 1116 P HA 0.233 nan 4.420 nan 0.000 0.225 1116 P C -0.371 177.062 177.300 0.223 0.000 1.768 1116 P CA 0.016 63.246 63.100 0.217 0.000 0.943 1116 P CB -0.710 31.052 31.700 0.103 0.000 1.936 1117 V N -2.582 117.482 119.914 0.250 0.000 3.159 1117 V HA 0.924 5.044 4.120 -0.001 0.000 0.308 1117 V C -0.192 176.071 176.094 0.281 0.000 1.190 1117 V CA -1.193 61.272 62.300 0.274 0.000 1.037 1117 V CB 1.773 33.754 31.823 0.263 0.000 1.060 1117 V HN 0.155 nan 8.190 nan 0.000 0.437 1118 G N 1.606 110.617 108.800 0.352 0.000 2.319 1118 G HA2 0.614 4.573 3.960 -0.001 0.000 0.308 1118 G HA3 0.614 4.573 3.960 -0.001 0.000 0.308 1118 G C -0.372 174.693 174.900 0.275 0.000 1.117 1118 G CA -0.235 45.035 45.100 0.284 0.000 0.903 1118 G HN 1.136 nan 8.290 nan 0.000 0.436 1119 E N 1.854 122.107 120.200 0.087 0.000 2.250 1119 E HA 0.528 4.878 4.350 -0.001 0.000 0.265 1119 E C -0.688 175.840 176.600 -0.121 0.000 1.033 1119 E CA -0.956 55.381 56.400 -0.105 0.000 0.888 1119 E CB 1.576 31.166 29.700 -0.185 0.000 1.151 1119 E HN 0.128 nan 8.360 nan 0.000 0.412 1120 I N 2.559 123.019 120.570 -0.183 0.000 2.362 1120 I HA 0.297 4.466 4.170 -0.001 0.000 0.289 1120 I C -0.155 175.785 176.117 -0.294 0.000 0.994 1120 I CA -0.575 60.614 61.300 -0.185 0.000 1.158 1120 I CB 0.545 38.509 38.000 -0.060 0.000 1.315 1120 I HN 0.582 nan 8.210 nan 0.000 0.451 1121 L N 4.681 125.580 121.223 -0.540 0.000 2.304 1121 L HA 0.569 4.909 4.340 -0.001 0.000 0.268 1121 L C 0.412 176.990 176.870 -0.487 0.000 1.010 1121 L CA -0.762 53.727 54.840 -0.584 0.000 0.813 1121 L CB 1.879 43.461 42.059 -0.796 0.000 1.315 1121 L HN 0.438 nan 8.230 nan 0.000 0.445 1122 T N 0.717 115.162 114.554 -0.181 0.000 2.806 1122 T HA 0.327 4.677 4.350 -0.001 0.000 0.290 1122 T C 0.101 174.950 174.700 0.249 0.000 0.966 1122 T CA -0.579 61.535 62.100 0.024 0.000 1.060 1122 T CB 0.621 69.500 68.868 0.018 0.000 0.927 1122 T HN 0.376 nan 8.240 nan 0.000 0.485 1123 R N 2.157 122.840 120.500 0.305 0.000 2.570 1123 R HA 0.213 4.553 4.340 -0.001 0.000 0.277 1123 R C 0.774 177.176 176.300 0.169 0.000 1.039 1123 R CA -0.252 56.019 56.100 0.286 0.000 1.065 1123 R CB 0.266 30.684 30.300 0.198 0.000 0.964 1123 R HN 0.738 nan 8.270 nan 0.000 0.428 1124 S N 2.488 118.266 115.700 0.130 0.000 2.580 1124 S HA 0.173 4.643 4.470 -0.001 0.000 0.274 1124 S C 0.031 174.668 174.600 0.062 0.000 1.329 1124 S CA -0.840 57.409 58.200 0.083 0.000 1.036 1124 S CB 1.122 64.361 63.200 0.064 0.000 0.919 1124 S HN 0.618 nan 8.310 nan 0.000 0.515 1125 K N 0.630 121.046 120.400 0.025 0.000 2.245 1125 K HA 0.335 4.655 4.320 -0.001 0.000 0.234 1125 K C -0.878 175.671 176.600 -0.085 0.000 1.021 1125 K CA -1.005 55.272 56.287 -0.017 0.000 0.898 1125 K CB 0.362 32.862 32.500 -0.000 0.000 1.163 1125 K HN 0.531 nan 8.250 nan 0.000 0.459 1126 Y N 2.404 122.461 120.300 -0.406 0.000 2.834 1126 Y HA -0.080 4.469 4.550 -0.001 0.000 0.355 1126 Y C 0.476 176.259 175.900 -0.196 0.000 1.287 1126 Y CA 0.098 57.919 58.100 -0.465 0.000 1.647 1126 Y CB -0.680 37.394 38.460 -0.643 0.000 1.221 1126 Y HN 0.724 nan 8.280 nan 0.000 0.519 1127 N N 3.467 121.953 118.700 -0.356 0.000 2.586 1127 N HA -0.178 4.561 4.740 -0.001 0.000 0.191 1127 N C -0.292 174.960 175.510 -0.430 0.000 1.085 1127 N CA 0.416 53.278 53.050 -0.314 0.000 0.921 1127 N CB 0.136 38.502 38.487 -0.201 0.000 0.954 1127 N HN 0.596 nan 8.380 nan 0.000 0.448 1128 Q N 0.300 119.600 119.800 -0.834 0.000 2.348 1128 Q HA 0.226 4.565 4.340 -0.001 0.000 0.271 1128 Q C -0.825 174.967 176.000 -0.347 0.000 1.067 1128 Q CA -0.467 54.972 55.803 -0.607 0.000 0.839 1128 Q CB 1.203 29.514 28.738 -0.712 0.000 1.354 1128 Q HN -0.021 nan 8.270 nan 0.000 0.447 1129 N N 1.101 119.721 118.700 -0.134 0.000 2.699 1129 N HA 0.166 4.906 4.740 -0.001 0.000 0.232 1129 N C -1.145 174.383 175.510 0.030 0.000 1.027 1129 N CA 0.092 53.127 53.050 -0.024 0.000 0.920 1129 N CB 0.648 39.114 38.487 -0.035 0.000 1.148 1129 N HN 0.328 nan 8.380 nan 0.000 0.509 1130 S N 1.890 117.665 115.700 0.124 0.000 2.632 1130 S HA 0.232 4.701 4.470 -0.001 0.000 0.271 1130 S C 1.207 175.805 174.600 -0.002 0.000 1.260 1130 S CA -0.510 57.775 58.200 0.142 0.000 1.010 1130 S CB 1.790 65.173 63.200 0.304 0.000 0.965 1130 S HN 0.378 nan 8.310 nan 0.000 0.534 1131 K N 0.209 120.479 120.400 -0.217 0.000 2.486 1131 K HA 0.130 4.449 4.320 -0.001 0.000 0.194 1131 K C 0.341 176.641 176.600 -0.499 0.000 1.033 1131 K CA 0.942 56.968 56.287 -0.435 0.000 1.004 1131 K CB -0.125 31.984 32.500 -0.651 0.000 0.798 1131 K HN 0.644 nan 8.250 nan 0.000 0.495 1132 Y N -0.991 119.288 120.300 -0.035 0.000 2.576 1132 Y HA 0.314 4.864 4.550 -0.001 0.000 0.282 1132 Y C 1.001 176.838 175.900 -0.105 0.000 1.139 1132 Y CA -0.921 57.132 58.100 -0.078 0.000 1.265 1132 Y CB -0.023 38.361 38.460 -0.127 0.000 1.376 1132 Y HN -0.160 nan 8.280 nan 0.000 0.511 1133 I N -0.753 119.854 120.570 0.062 0.000 2.863 1133 I HA 0.611 4.780 4.170 -0.001 0.000 0.311 1133 I C -0.815 175.345 176.117 0.071 0.000 1.026 1133 I CA -0.916 60.345 61.300 -0.066 0.000 1.077 1133 I CB 2.348 40.085 38.000 -0.439 0.000 1.262 1133 I HN 0.213 nan 8.210 nan 0.000 0.461 1134 N N 1.497 120.266 118.700 0.116 0.000 3.993 1134 N HA 0.398 5.137 4.740 -0.001 0.000 0.204 1134 N C -2.061 173.593 175.510 0.239 0.000 1.071 1134 N CA -0.603 52.533 53.050 0.143 0.000 1.076 1134 N CB 1.794 40.366 38.487 0.142 0.000 1.644 1134 N HN 0.825 nan 8.380 nan 0.000 0.650 1135 Y N -0.284 120.141 120.300 0.208 0.000 2.713 1135 Y HA 0.612 5.161 4.550 -0.001 0.000 0.335 1135 Y C -1.790 174.249 175.900 0.232 0.000 1.222 1135 Y CA -1.176 57.066 58.100 0.237 0.000 1.061 1135 Y CB 0.675 39.300 38.460 0.275 0.000 1.314 1135 Y HN 0.200 nan 8.280 nan 0.000 0.453 1136 R N 1.609 122.380 120.500 0.452 0.000 2.407 1136 R HA 0.318 4.657 4.340 -0.001 0.000 0.303 1136 R C -1.169 175.381 176.300 0.418 0.000 0.981 1136 R CA -0.863 55.419 56.100 0.303 0.000 0.905 1136 R CB 0.987 31.414 30.300 0.211 0.000 1.099 1136 R HN 0.785 nan 8.270 nan 0.000 0.459 1137 D N 2.400 122.968 120.400 0.279 0.000 2.443 1137 D HA 0.020 4.659 4.640 -0.001 0.000 0.239 1137 D C 1.192 177.469 176.300 -0.038 0.000 1.136 1137 D CA 0.190 54.310 54.000 0.200 0.000 0.879 1137 D CB 1.149 42.008 40.800 0.099 0.000 1.195 1137 D HN 0.354 nan 8.370 nan 0.000 0.443 1138 L N 0.939 122.008 121.223 -0.258 0.000 2.537 1138 L HA 0.042 4.381 4.340 -0.001 0.000 0.224 1138 L C 0.391 176.914 176.870 -0.578 0.000 1.065 1138 L CA 0.131 54.650 54.840 -0.535 0.000 0.860 1138 L CB 0.159 41.638 42.059 -0.967 0.000 1.086 1138 L HN 0.316 nan 8.230 nan 0.000 0.482 1139 Y N 1.405 121.402 120.300 -0.504 0.000 2.767 1139 Y HA 0.463 5.013 4.550 -0.001 0.000 0.354 1139 Y C -0.073 175.292 175.900 -0.892 0.000 1.292 1139 Y CA -1.116 56.285 58.100 -1.166 0.000 1.749 1139 Y CB -0.352 37.737 38.460 -0.618 0.000 1.841 1139 Y HN -0.029 nan 8.280 nan 0.000 0.454 1140 I N -0.327 119.916 120.570 -0.545 0.000 2.994 1140 I HA 0.847 5.017 4.170 -0.001 0.000 0.306 1140 I C 0.170 176.230 176.117 -0.096 0.000 1.195 1140 I CA -0.092 61.025 61.300 -0.305 0.000 1.001 1140 I CB 2.091 39.742 38.000 -0.582 0.000 1.244 1140 I HN 0.436 nan 8.210 nan 0.000 0.437 1141 G N 4.039 112.771 108.800 -0.113 0.000 2.710 1141 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.668 1141 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.668 1141 G C -0.968 174.044 174.900 0.187 0.000 1.320 1141 G CA -0.767 44.454 45.100 0.201 0.000 0.860 1141 G HN 0.719 nan 8.290 nan 0.000 0.538 1142 E N 0.488 120.690 120.200 0.004 0.000 2.436 1142 E HA 0.176 4.526 4.350 -0.001 0.000 0.262 1142 E C 0.551 176.935 176.600 -0.360 0.000 1.063 1142 E CA 0.363 56.579 56.400 -0.306 0.000 0.944 1142 E CB 0.403 29.573 29.700 -0.883 0.000 0.950 1142 E HN 0.478 nan 8.360 nan 0.000 0.444 1143 K N 2.673 122.903 120.400 -0.282 0.000 2.250 1143 K HA 0.250 4.569 4.320 -0.001 0.000 0.280 1143 K C -0.422 176.110 176.600 -0.114 0.000 1.098 1143 K CA -0.201 55.943 56.287 -0.238 0.000 0.916 1143 K CB 0.241 32.686 32.500 -0.092 0.000 1.209 1143 K HN 0.209 nan 8.250 nan 0.000 0.461 1144 F N 2.432 122.426 119.950 0.074 0.000 2.380 1144 F HA 0.520 5.047 4.527 -0.001 0.000 0.321 1144 F C 0.453 176.315 175.800 0.103 0.000 1.103 1144 F CA -0.948 57.135 58.000 0.138 0.000 1.067 1144 F CB 0.767 39.882 39.000 0.193 0.000 1.265 1144 F HN 0.322 nan 8.300 nan 0.000 0.517 1145 I N 1.646 122.364 120.570 0.247 0.000 2.692 1145 I HA 0.422 4.591 4.170 -0.001 0.000 0.293 1145 I C -1.489 174.703 176.117 0.125 0.000 1.200 1145 I CA -0.562 60.816 61.300 0.129 0.000 1.036 1145 I CB 1.610 39.607 38.000 -0.004 0.000 1.258 1145 I HN 0.386 nan 8.210 nan 0.000 0.421 1146 I N 6.940 127.577 120.570 0.111 0.000 2.315 1146 I HA 0.452 4.622 4.170 -0.001 0.000 0.291 1146 I C -0.326 175.931 176.117 0.233 0.000 1.006 1146 I CA -0.749 60.608 61.300 0.094 0.000 1.265 1146 I CB 0.804 38.740 38.000 -0.106 0.000 1.387 1146 I HN 0.379 nan 8.210 nan 0.000 0.475 1147 R N 5.543 126.184 120.500 0.235 0.000 2.589 1147 R HA 0.504 4.843 4.340 -0.001 0.000 0.293 1147 R C -0.330 176.055 176.300 0.143 0.000 0.963 1147 R CA -1.049 55.176 56.100 0.207 0.000 0.905 1147 R CB 1.636 32.056 30.300 0.200 0.000 1.144 1147 R HN 0.573 nan 8.270 nan 0.000 0.459 1148 R N 1.524 121.922 120.500 -0.171 0.000 2.543 1148 R HA -0.014 4.325 4.340 -0.001 0.000 0.277 1148 R C 1.136 177.290 176.300 -0.244 0.000 1.074 1148 R CA -0.048 55.798 56.100 -0.424 0.000 1.076 1148 R CB 0.760 30.608 30.300 -0.754 0.000 0.993 1148 R HN 0.427 nan 8.270 nan 0.000 0.459 1149 K N 1.937 122.149 120.400 -0.313 0.000 1.981 1149 K HA -0.123 4.196 4.320 -0.001 0.000 0.227 1149 K C 0.476 176.967 176.600 -0.182 0.000 1.030 1149 K CA 2.075 58.079 56.287 -0.471 0.000 1.042 1149 K CB -0.328 31.979 32.500 -0.321 0.000 0.749 1149 K HN 0.667 nan 8.250 nan 0.000 0.445 1150 S N -0.132 115.497 115.700 -0.118 0.000 2.590 1150 S HA 0.193 4.663 4.470 -0.001 0.000 0.282 1150 S C -0.303 174.257 174.600 -0.067 0.000 1.136 1150 S CA -0.156 58.014 58.200 -0.051 0.000 1.030 1150 S CB 0.117 63.293 63.200 -0.041 0.000 1.195 1150 S HN 0.606 nan 8.310 nan 0.000 0.506 1151 N N 1.163 119.836 118.700 -0.045 0.000 2.584 1151 N HA -0.182 4.558 4.740 -0.001 0.000 0.291 1151 N C -0.694 174.776 175.510 -0.068 0.000 1.203 1151 N CA 0.834 53.853 53.050 -0.051 0.000 0.735 1151 N CB -1.017 37.436 38.487 -0.057 0.000 0.936 1151 N HN 0.910 nan 8.380 nan 0.000 0.549 1152 S N 0.792 116.465 115.700 -0.044 0.000 2.512 1152 S HA 0.489 4.959 4.470 -0.001 0.000 0.291 1152 S C 0.450 175.030 174.600 -0.034 0.000 1.151 1152 S CA -0.066 58.107 58.200 -0.046 0.000 1.120 1152 S CB 1.378 64.566 63.200 -0.020 0.000 1.029 1152 S HN 0.677 nan 8.310 nan 0.000 0.485 1153 Q N 1.569 121.343 119.800 -0.042 0.000 2.835 1153 Q HA 0.626 4.966 4.340 -0.001 0.000 0.235 1153 Q C 0.606 176.591 176.000 -0.025 0.000 1.313 1153 Q CA -0.070 55.715 55.803 -0.029 0.000 1.053 1153 Q CB -0.566 28.154 28.738 -0.030 0.000 1.443 1153 Q HN 1.761 nan 8.270 nan 0.000 0.576 1154 S N 0.850 116.540 115.700 -0.017 0.000 3.614 1154 S HA -0.164 4.305 4.470 -0.001 0.000 0.360 1154 S C 0.483 175.075 174.600 -0.014 0.000 1.023 1154 S CA 0.486 58.680 58.200 -0.011 0.000 1.114 1154 S CB -2.324 60.871 63.200 -0.008 0.000 0.907 1154 S HN 1.714 nan 8.310 nan 0.000 0.470 1155 I N -1.182 119.374 120.570 -0.023 0.000 3.352 1155 I HA 0.135 4.305 4.170 -0.001 0.000 0.289 1155 I C 0.999 177.113 176.117 -0.006 0.000 1.203 1155 I CA 1.038 62.320 61.300 -0.030 0.000 1.454 1155 I CB -1.255 36.718 38.000 -0.046 0.000 1.519 1155 I HN 0.459 nan 8.210 nan 0.000 0.628 1156 N N 4.545 123.243 118.700 -0.003 0.000 2.348 1156 N HA 0.084 4.824 4.740 -0.001 0.000 0.183 1156 N C 0.437 175.957 175.510 0.015 0.000 1.094 1156 N CA 0.552 53.606 53.050 0.007 0.000 0.885 1156 N CB 0.356 38.843 38.487 0.001 0.000 1.065 1156 N HN 0.861 nan 8.380 nan 0.000 0.472 1157 D N -2.419 117.993 120.400 0.019 0.000 3.036 1157 D HA 0.313 4.953 4.640 -0.001 0.000 0.295 1157 D C -2.207 174.126 176.300 0.054 0.000 1.180 1157 D CA -0.199 53.828 54.000 0.045 0.000 0.726 1157 D CB 1.417 42.229 40.800 0.019 0.000 1.270 1157 D HN 0.225 nan 8.370 nan 0.000 0.445 1158 D N -1.074 119.388 120.400 0.103 0.000 2.930 1158 D HA 0.337 4.976 4.640 -0.001 0.000 0.337 1158 D C -1.371 175.010 176.300 0.135 0.000 1.392 1158 D CA -0.437 53.631 54.000 0.114 0.000 0.760 1158 D CB 0.517 41.390 40.800 0.121 0.000 1.343 1158 D HN 0.271 nan 8.370 nan 0.000 0.460 1159 I N 1.486 122.120 120.570 0.107 0.000 2.339 1159 I HA 0.381 4.550 4.170 -0.001 0.000 0.290 1159 I C -0.106 176.014 176.117 0.005 0.000 0.994 1159 I CA -1.017 60.271 61.300 -0.020 0.000 1.191 1159 I CB 1.618 39.549 38.000 -0.115 0.000 1.343 1159 I HN 0.132 nan 8.210 nan 0.000 0.458 1160 V N 7.499 127.246 119.914 -0.278 0.000 2.555 1160 V HA 0.293 4.413 4.120 -0.001 0.000 0.286 1160 V C 0.427 176.425 176.094 -0.161 0.000 1.044 1160 V CA -0.195 61.824 62.300 -0.469 0.000 1.026 1160 V CB 0.556 31.941 31.823 -0.731 0.000 0.981 1160 V HN 0.710 nan 8.190 nan 0.000 0.480 1161 R N 2.946 123.396 120.500 -0.083 0.000 2.803 1161 R HA 0.485 4.825 4.340 -0.001 0.000 0.276 1161 R C -0.566 175.670 176.300 -0.108 0.000 0.978 1161 R CA -1.157 54.911 56.100 -0.054 0.000 0.939 1161 R CB 2.077 32.374 30.300 -0.006 0.000 1.179 1161 R HN 0.609 nan 8.270 nan 0.000 0.472 1162 K N 2.272 122.594 120.400 -0.131 0.000 2.561 1162 K HA -0.141 4.179 4.320 -0.001 0.000 0.280 1162 K C 0.024 176.522 176.600 -0.170 0.000 0.975 1162 K CA 0.587 56.775 56.287 -0.165 0.000 1.024 1162 K CB 0.212 32.611 32.500 -0.168 0.000 0.883 1162 K HN 0.609 nan 8.250 nan 0.000 0.496 1163 E N -0.436 119.626 120.200 -0.230 0.000 3.916 1163 E HA -0.208 4.141 4.350 -0.001 0.000 0.331 1163 E C -0.680 175.697 176.600 -0.373 0.000 0.729 1163 E CA 1.139 57.365 56.400 -0.289 0.000 1.222 1163 E CB -1.364 28.218 29.700 -0.196 0.000 1.633 1163 E HN 0.695 nan 8.360 nan 0.000 0.437 1164 D N -0.044 120.204 120.400 -0.252 0.000 2.423 1164 D HA 0.115 4.755 4.640 -0.001 0.000 0.238 1164 D C 0.118 176.230 176.300 -0.315 0.000 1.142 1164 D CA 0.437 54.338 54.000 -0.166 0.000 0.884 1164 D CB 0.160 40.962 40.800 0.004 0.000 1.199 1164 D HN -0.002 nan 8.370 nan 0.000 0.438 1165 Y N 1.413 121.680 120.300 -0.054 0.000 2.326 1165 Y HA 0.372 4.922 4.550 -0.001 0.000 0.337 1165 Y C 0.749 176.562 175.900 -0.144 0.000 1.023 1165 Y CA -0.590 57.444 58.100 -0.109 0.000 1.143 1165 Y CB 0.631 39.018 38.460 -0.121 0.000 1.183 1165 Y HN 0.184 nan 8.280 nan 0.000 0.485 1166 I N -1.008 119.521 120.570 -0.069 0.000 3.264 1166 I HA 0.621 4.790 4.170 -0.001 0.000 0.315 1166 I C -1.881 174.129 176.117 -0.179 0.000 1.154 1166 I CA -1.455 59.782 61.300 -0.104 0.000 0.962 1166 I CB 2.824 40.831 38.000 0.011 0.000 1.265 1166 I HN 0.390 nan 8.210 nan 0.000 0.463 1167 Y N 1.939 122.259 120.300 0.033 0.000 2.341 1167 Y HA 0.557 5.106 4.550 -0.001 0.000 0.338 1167 Y C -0.666 175.223 175.900 -0.019 0.000 0.965 1167 Y CA -1.045 57.043 58.100 -0.019 0.000 1.108 1167 Y CB 2.296 40.741 38.460 -0.025 0.000 1.180 1167 Y HN 0.388 nan 8.280 nan 0.000 0.458 1168 L N 5.116 126.411 121.223 0.120 0.000 2.259 1168 L HA 0.447 4.787 4.340 -0.001 0.000 0.288 1168 L C -1.028 175.950 176.870 0.181 0.000 1.051 1168 L CA -0.049 54.863 54.840 0.121 0.000 0.824 1168 L CB -0.274 41.823 42.059 0.063 0.000 1.206 1168 L HN 0.547 nan 8.230 nan 0.000 0.429 1169 D N 4.183 124.689 120.400 0.176 0.000 2.442 1169 D HA 0.689 5.329 4.640 -0.001 0.000 0.254 1169 D C -0.892 175.532 176.300 0.207 0.000 1.069 1169 D CA 0.264 54.328 54.000 0.107 0.000 1.017 1169 D CB 1.562 42.299 40.800 -0.105 0.000 1.172 1169 D HN 0.343 nan 8.370 nan 0.000 0.561 1170 F N -1.718 118.097 119.950 -0.226 0.000 2.703 1170 F HA 0.577 5.103 4.527 -0.001 0.000 0.308 1170 F C -1.930 173.571 175.800 -0.498 0.000 1.126 1170 F CA -1.380 56.369 58.000 -0.419 0.000 0.959 1170 F CB 0.526 39.188 39.000 -0.564 0.000 1.297 1170 F HN 0.026 nan 8.300 nan 0.000 0.441 1171 F N 2.406 122.252 119.950 -0.172 0.000 2.420 1171 F HA 0.403 4.929 4.527 -0.001 0.000 0.352 1171 F C 0.190 175.797 175.800 -0.321 0.000 1.108 1171 F CA -0.331 57.506 58.000 -0.272 0.000 1.162 1171 F CB 1.035 39.945 39.000 -0.149 0.000 1.118 1171 F HN 0.605 nan 8.300 nan 0.000 0.510 1172 N N 4.809 123.270 118.700 -0.398 0.000 2.518 1172 N HA 0.547 5.287 4.740 -0.001 0.000 0.254 1172 N C 0.034 175.354 175.510 -0.318 0.000 0.979 1172 N CA -0.157 52.592 53.050 -0.502 0.000 0.930 1172 N CB 0.504 38.222 38.487 -1.282 0.000 1.152 1172 N HN 0.691 nan 8.380 nan 0.000 0.505 1173 L N 1.445 122.570 121.223 -0.164 0.000 6.079 1173 L HA -0.401 3.939 4.340 -0.001 0.000 0.053 1173 L C 0.305 177.135 176.870 -0.066 0.000 2.483 1173 L CA 1.087 55.867 54.840 -0.099 0.000 1.581 1173 L CB -0.801 41.198 42.059 -0.101 0.000 2.843 1173 L HN 0.636 nan 8.230 nan 0.000 1.020 1174 N N 1.386 120.061 118.700 -0.043 0.000 2.451 1174 N HA 0.195 4.935 4.740 -0.001 0.000 0.264 1174 N C -0.765 174.768 175.510 0.038 0.000 1.167 1174 N CA 0.268 53.311 53.050 -0.013 0.000 0.898 1174 N CB 0.651 39.131 38.487 -0.012 0.000 1.176 1174 N HN 0.322 nan 8.380 nan 0.000 0.507 1175 Q N -0.035 119.789 119.800 0.039 0.000 2.423 1175 Q HA 0.312 4.651 4.340 -0.001 0.000 0.278 1175 Q C -0.976 175.089 176.000 0.109 0.000 1.097 1175 Q CA -0.648 55.225 55.803 0.116 0.000 0.809 1175 Q CB 2.584 31.453 28.738 0.218 0.000 1.391 1175 Q HN 0.106 nan 8.270 nan 0.000 0.428 1176 E N 1.461 121.746 120.200 0.141 0.000 2.092 1176 E HA 0.216 4.565 4.350 -0.001 0.000 0.271 1176 E C -1.266 175.337 176.600 0.005 0.000 0.919 1176 E CA -0.428 55.919 56.400 -0.088 0.000 0.760 1176 E CB 0.723 30.352 29.700 -0.117 0.000 1.106 1176 E HN 0.332 nan 8.360 nan 0.000 0.408 1177 W N 2.664 123.553 121.300 -0.685 0.000 2.353 1177 W HA 0.502 5.161 4.660 -0.001 0.000 0.377 1177 W C 0.352 176.602 176.519 -0.448 0.000 1.375 1177 W CA -0.803 56.175 57.345 -0.612 0.000 1.503 1177 W CB 0.692 29.609 29.460 -0.905 0.000 1.345 1177 W HN 0.448 nan 8.180 nan 0.000 0.683 1178 R N -0.066 120.417 120.500 -0.028 0.000 2.808 1178 R HA 0.657 4.996 4.340 -0.001 0.000 0.272 1178 R C -1.847 174.391 176.300 -0.105 0.000 0.995 1178 R CA -0.679 55.327 56.100 -0.158 0.000 0.917 1178 R CB 1.835 31.799 30.300 -0.561 0.000 1.217 1178 R HN 0.234 nan 8.270 nan 0.000 0.471 1179 V N 4.310 124.165 119.914 -0.097 0.000 2.364 1179 V HA 0.388 4.507 4.120 -0.001 0.000 0.272 1179 V C -0.968 175.040 176.094 -0.143 0.000 1.036 1179 V CA -0.125 62.194 62.300 0.032 0.000 0.880 1179 V CB 0.565 32.493 31.823 0.175 0.000 0.991 1179 V HN 0.610 nan 8.190 nan 0.000 0.460 1180 Y N 1.988 122.283 120.300 -0.007 0.000 2.659 1180 Y HA 0.730 5.280 4.550 -0.001 0.000 0.333 1180 Y C 0.444 176.167 175.900 -0.295 0.000 1.064 1180 Y CA -0.920 57.059 58.100 -0.201 0.000 1.141 1180 Y CB 2.247 40.276 38.460 -0.719 0.000 1.316 1180 Y HN 0.440 nan 8.280 nan 0.000 0.509 1181 T N 0.353 114.730 114.554 -0.294 0.000 2.971 1181 T HA 0.423 4.773 4.350 -0.001 0.000 0.304 1181 T C -1.483 173.140 174.700 -0.129 0.000 1.038 1181 T CA -0.612 61.261 62.100 -0.378 0.000 1.007 1181 T CB 0.117 68.513 68.868 -0.787 0.000 1.055 1181 T HN 0.408 nan 8.240 nan 0.000 0.451 1182 Y N 3.029 123.352 120.300 0.038 0.000 2.702 1182 Y HA 0.147 4.696 4.550 -0.001 0.000 0.336 1182 Y C 1.860 177.789 175.900 0.048 0.000 1.235 1182 Y CA 0.131 58.266 58.100 0.058 0.000 1.492 1182 Y CB 0.667 39.155 38.460 0.046 0.000 1.308 1182 Y HN 0.589 nan 8.280 nan 0.000 0.589 1183 K N 2.248 122.544 120.400 -0.173 0.000 2.487 1183 K HA -0.014 4.305 4.320 -0.001 0.000 0.192 1183 K C -0.906 175.288 176.600 -0.675 0.000 1.027 1183 K CA 0.550 56.473 56.287 -0.606 0.000 1.054 1183 K CB 0.113 31.851 32.500 -1.270 0.000 0.824 1183 K HN 0.596 nan 8.250 nan 0.000 0.510 1184 Y N 0.241 120.659 120.300 0.197 0.000 2.614 1184 Y HA 0.187 4.737 4.550 -0.001 0.000 0.296 1184 Y C -0.591 175.380 175.900 0.118 0.000 0.942 1184 Y CA -1.865 56.283 58.100 0.080 0.000 1.111 1184 Y CB -0.263 38.197 38.460 0.001 0.000 1.182 1184 Y HN -0.066 nan 8.280 nan 0.000 0.624 1185 F N -1.167 118.869 119.950 0.144 0.000 2.404 1185 F HA 0.631 5.157 4.527 -0.001 0.000 0.339 1185 F C 0.584 176.442 175.800 0.097 0.000 1.105 1185 F CA -1.293 56.772 58.000 0.109 0.000 1.087 1185 F CB 1.156 40.229 39.000 0.121 0.000 1.143 1185 F HN -0.114 nan 8.300 nan 0.000 0.491 1186 K N 1.886 122.360 120.400 0.123 0.000 2.308 1186 K HA 0.136 4.455 4.320 -0.001 0.000 0.197 1186 K C 0.405 177.054 176.600 0.081 0.000 1.049 1186 K CA 0.118 56.424 56.287 0.032 0.000 0.991 1186 K CB 0.171 32.691 32.500 0.033 0.000 0.836 1186 K HN 0.568 nan 8.250 nan 0.000 0.500 1187 K N 1.189 121.700 120.400 0.184 0.000 2.187 1187 K HA -0.036 4.284 4.320 -0.001 0.000 0.247 1187 K C 0.918 177.638 176.600 0.199 0.000 1.019 1187 K CA -0.003 56.384 56.287 0.167 0.000 0.893 1187 K CB 0.532 33.146 32.500 0.189 0.000 1.025 1187 K HN -0.107 nan 8.250 nan 0.000 0.500 1188 E N 1.225 121.489 120.200 0.107 0.000 2.153 1188 E HA -0.171 4.178 4.350 -0.001 0.000 0.194 1188 E C -0.281 176.416 176.600 0.162 0.000 0.988 1188 E CA 1.387 57.842 56.400 0.092 0.000 0.811 1188 E CB 0.302 29.988 29.700 -0.024 0.000 0.746 1188 E HN 0.490 nan 8.360 nan 0.000 0.466 1189 E N -0.040 120.238 120.200 0.130 0.000 2.335 1189 E HA 0.220 4.570 4.350 -0.001 0.000 0.280 1189 E C -0.968 175.808 176.600 0.293 0.000 0.918 1189 E CA -0.710 55.779 56.400 0.148 0.000 0.765 1189 E CB 0.976 30.623 29.700 -0.088 0.000 1.218 1189 E HN 0.237 nan 8.360 nan 0.000 0.425 1190 E N 1.657 121.956 120.200 0.166 0.000 2.370 1190 E HA 0.594 4.943 4.350 -0.001 0.000 0.259 1190 E C -0.727 175.910 176.600 0.061 0.000 0.947 1190 E CA -1.155 55.339 56.400 0.157 0.000 0.809 1190 E CB 1.658 31.341 29.700 -0.029 0.000 1.300 1190 E HN 0.318 nan 8.360 nan 0.000 0.419 1191 K N 0.884 121.206 120.400 -0.129 0.000 2.185 1191 K HA 0.295 4.614 4.320 -0.001 0.000 0.271 1191 K C -0.130 176.461 176.600 -0.015 0.000 1.013 1191 K CA -0.503 55.712 56.287 -0.118 0.000 0.943 1191 K CB 0.606 32.920 32.500 -0.311 0.000 0.998 1191 K HN 0.334 nan 8.250 nan 0.000 0.468 1192 L N 1.800 123.023 121.223 -0.000 0.000 2.472 1192 L HA 0.208 4.547 4.340 -0.001 0.000 0.260 1192 L C 0.016 176.978 176.870 0.153 0.000 1.209 1192 L CA -0.399 54.424 54.840 -0.027 0.000 0.817 1192 L CB 0.064 41.992 42.059 -0.219 0.000 1.106 1192 L HN 0.484 nan 8.230 nan 0.000 0.479 1193 F N 2.192 122.115 119.950 -0.045 0.000 2.388 1193 F HA 0.464 4.991 4.527 -0.001 0.000 0.358 1193 F C -0.849 175.057 175.800 0.175 0.000 1.122 1193 F CA -0.760 57.249 58.000 0.015 0.000 1.056 1193 F CB 0.876 39.714 39.000 -0.269 0.000 1.155 1193 F HN 0.055 nan 8.300 nan 0.000 0.461 1194 L N 6.423 127.558 121.223 -0.148 0.000 2.276 1194 L HA 0.793 5.133 4.340 -0.001 0.000 0.286 1194 L C -0.235 176.536 176.870 -0.165 0.000 1.024 1194 L CA -0.277 54.628 54.840 0.109 0.000 0.826 1194 L CB 0.766 43.084 42.059 0.431 0.000 1.211 1194 L HN 0.772 nan 8.230 nan 0.000 0.422 1195 A N 4.535 127.179 122.820 -0.293 0.000 2.602 1195 A HA 0.933 5.253 4.320 -0.001 0.000 0.290 1195 A C -2.922 174.104 177.584 -0.930 0.000 1.114 1195 A CA -1.429 50.067 52.037 -0.902 0.000 0.683 1195 A CB 1.164 19.663 19.000 -0.835 0.000 1.281 1195 A HN 0.400 nan 8.150 nan 0.000 0.416 1196 P HA 0.211 nan 4.420 nan 0.000 0.271 1196 P C -0.516 176.618 177.300 -0.276 0.000 1.238 1196 P CA 0.049 62.599 63.100 -0.917 0.000 0.794 1196 P CB 0.225 31.531 31.700 -0.656 0.000 0.959 1197 I N 0.668 121.154 120.570 -0.140 0.000 2.533 1197 I HA 0.116 4.286 4.170 -0.001 0.000 0.284 1197 I C 0.878 177.004 176.117 0.016 0.000 1.109 1197 I CA 1.001 62.294 61.300 -0.012 0.000 1.412 1197 I CB -0.135 37.823 38.000 -0.070 0.000 1.396 1197 I HN 0.409 nan 8.210 nan 0.000 0.543 1198 S N 2.704 118.468 115.700 0.106 0.000 2.656 1198 S HA 0.367 4.836 4.470 -0.001 0.000 0.273 1198 S C -0.573 174.100 174.600 0.122 0.000 1.168 1198 S CA -0.866 57.375 58.200 0.068 0.000 0.817 1198 S CB 2.080 65.309 63.200 0.049 0.000 1.146 1198 S HN 0.599 nan 8.310 nan 0.000 0.475 1199 D N 0.663 121.122 120.400 0.098 0.000 2.538 1199 D HA 0.370 5.010 4.640 -0.001 0.000 0.231 1199 D C -0.106 176.264 176.300 0.116 0.000 1.229 1199 D CA -0.119 53.955 54.000 0.124 0.000 0.828 1199 D CB 0.383 41.228 40.800 0.075 0.000 1.035 1199 D HN 0.528 nan 8.370 nan 0.000 0.495 1200 S N 0.339 116.093 115.700 0.090 0.000 2.537 1200 S HA -0.128 4.342 4.470 -0.001 0.000 0.280 1200 S C 0.965 175.516 174.600 -0.082 0.000 1.335 1200 S CA 0.143 58.271 58.200 -0.120 0.000 1.025 1200 S CB 0.699 63.563 63.200 -0.560 0.000 0.836 1200 S HN 0.326 nan 8.310 nan 0.000 0.523 1201 D N -0.054 120.258 120.400 -0.147 0.000 2.360 1201 D HA 0.014 4.653 4.640 -0.001 0.000 0.210 1201 D C 1.170 177.374 176.300 -0.160 0.000 1.047 1201 D CA 0.229 54.176 54.000 -0.088 0.000 0.854 1201 D CB 0.097 40.870 40.800 -0.046 0.000 0.936 1201 D HN 0.422 nan 8.370 nan 0.000 0.514 1202 E N -0.279 119.719 120.200 -0.337 0.000 2.478 1202 E HA 0.043 4.393 4.350 -0.001 0.000 0.198 1202 E C 0.258 176.675 176.600 -0.304 0.000 1.046 1202 E CA 0.280 56.489 56.400 -0.319 0.000 0.870 1202 E CB 0.129 29.564 29.700 -0.441 0.000 0.818 1202 E HN 0.504 nan 8.360 nan 0.000 0.527 1203 F N -3.028 116.751 119.950 -0.285 0.000 2.773 1203 F HA 0.423 4.950 4.527 -0.001 0.000 0.314 1203 F C -1.125 174.503 175.800 -0.287 0.000 1.160 1203 F CA -1.747 56.029 58.000 -0.374 0.000 0.920 1203 F CB 0.711 39.486 39.000 -0.376 0.000 1.323 1203 F HN -0.358 nan 8.300 nan 0.000 0.457 1204 Y N 1.981 122.395 120.300 0.190 0.000 2.316 1204 Y HA 0.249 4.798 4.550 -0.001 0.000 0.331 1204 Y C 0.684 176.729 175.900 0.242 0.000 1.083 1204 Y CA -0.616 57.587 58.100 0.170 0.000 1.206 1204 Y CB 1.113 39.622 38.460 0.081 0.000 1.195 1204 Y HN 0.634 nan 8.280 nan 0.000 0.497 1205 N N -1.669 117.340 118.700 0.516 0.000 2.181 1205 N HA 0.082 4.821 4.740 -0.001 0.000 0.207 1205 N C -0.499 175.310 175.510 0.498 0.000 1.182 1205 N CA -0.090 53.218 53.050 0.430 0.000 0.893 1205 N CB 0.438 39.148 38.487 0.371 0.000 1.032 1205 N HN 0.325 nan 8.380 nan 0.000 0.513 1206 T N 1.426 116.276 114.554 0.494 0.000 2.767 1206 T HA 0.476 4.825 4.350 -0.001 0.000 0.284 1206 T C -0.241 174.556 174.700 0.163 0.000 0.973 1206 T CA -0.415 61.872 62.100 0.311 0.000 0.996 1206 T CB 1.111 70.125 68.868 0.242 0.000 0.927 1206 T HN 0.081 nan 8.240 nan 0.000 0.456 1207 I N 2.776 123.324 120.570 -0.036 0.000 2.460 1207 I HA 0.387 4.556 4.170 -0.001 0.000 0.298 1207 I C 0.196 176.211 176.117 -0.170 0.000 0.989 1207 I CA -0.811 60.334 61.300 -0.258 0.000 1.173 1207 I CB 1.981 39.740 38.000 -0.402 0.000 1.338 1207 I HN 0.444 nan 8.210 nan 0.000 0.456 1208 Q N 6.499 126.157 119.800 -0.238 0.000 2.381 1208 Q HA 0.439 4.778 4.340 -0.001 0.000 0.263 1208 Q C -1.022 174.798 176.000 -0.300 0.000 1.030 1208 Q CA -0.654 54.913 55.803 -0.394 0.000 0.772 1208 Q CB 1.746 30.193 28.738 -0.484 0.000 1.232 1208 Q HN 0.667 nan 8.270 nan 0.000 0.476 1209 I N 4.560 124.963 120.570 -0.279 0.000 2.471 1209 I HA 0.152 4.321 4.170 -0.001 0.000 0.286 1209 I C -0.750 175.219 176.117 -0.246 0.000 1.079 1209 I CA 0.071 61.245 61.300 -0.211 0.000 1.398 1209 I CB 0.133 38.022 38.000 -0.186 0.000 1.403 1209 I HN 0.554 nan 8.210 nan 0.000 0.530 1210 K N 5.686 125.937 120.400 -0.248 0.000 2.331 1210 K HA 0.498 4.817 4.320 -0.001 0.000 0.238 1210 K C -1.092 175.303 176.600 -0.343 0.000 1.058 1210 K CA -0.842 55.212 56.287 -0.389 0.000 0.871 1210 K CB 1.333 33.411 32.500 -0.704 0.000 1.292 1210 K HN 0.375 nan 8.250 nan 0.000 0.470 1211 E N 0.556 120.491 120.200 -0.441 0.000 2.923 1211 E HA 0.212 4.561 4.350 -0.001 0.000 0.266 1211 E C -0.782 175.584 176.600 -0.391 0.000 1.157 1211 E CA -0.087 56.122 56.400 -0.319 0.000 0.795 1211 E CB -0.142 29.429 29.700 -0.215 0.000 1.454 1211 E HN 0.478 nan 8.360 nan 0.000 0.386 1212 Y N 0.487 120.581 120.300 -0.344 0.000 2.439 1212 Y HA 0.061 4.611 4.550 -0.001 0.000 0.292 1212 Y C 1.104 176.548 175.900 -0.760 0.000 1.130 1212 Y CA 0.633 58.450 58.100 -0.472 0.000 1.254 1212 Y CB 0.186 38.401 38.460 -0.408 0.000 1.000 1212 Y HN 0.392 nan 8.280 nan 0.000 0.554 1213 D N 0.957 120.873 120.400 -0.807 0.000 2.443 1213 D HA -0.062 4.577 4.640 -0.001 0.000 0.239 1213 D C 0.636 176.805 176.300 -0.217 0.000 1.136 1213 D CA 0.438 54.079 54.000 -0.598 0.000 0.879 1213 D CB 0.897 41.513 40.800 -0.307 0.000 1.195 1213 D HN 0.392 nan 8.370 nan 0.000 0.443 1214 E N 1.127 121.276 120.200 -0.084 0.000 2.340 1214 E HA -0.027 4.323 4.350 -0.001 0.000 0.194 1214 E C 0.193 176.781 176.600 -0.020 0.000 0.996 1214 E CA 0.074 56.453 56.400 -0.035 0.000 0.869 1214 E CB 0.437 30.140 29.700 0.005 0.000 0.835 1214 E HN 0.447 nan 8.360 nan 0.000 0.493 1215 Q N 0.753 120.553 119.800 0.001 0.000 2.221 1215 Q HA 0.307 4.647 4.340 -0.001 0.000 0.242 1215 Q C -2.374 173.613 176.000 -0.020 0.000 0.940 1215 Q CA -2.430 53.379 55.803 0.011 0.000 0.896 1215 Q CB 0.061 28.834 28.738 0.058 0.000 1.226 1215 Q HN -0.080 nan 8.270 nan 0.000 0.463 1216 P HA 0.070 nan 4.420 nan 0.000 0.267 1216 P C -0.481 176.779 177.300 -0.066 0.000 1.205 1216 P CA 0.505 63.542 63.100 -0.106 0.000 0.765 1216 P CB 0.617 32.126 31.700 -0.317 0.000 0.828 1217 T N 1.932 116.446 114.554 -0.066 0.000 2.769 1217 T HA 0.404 4.754 4.350 -0.001 0.000 0.306 1217 T C -0.644 174.085 174.700 0.049 0.000 1.400 1217 T CA -0.310 61.733 62.100 -0.096 0.000 1.007 1217 T CB 0.530 69.387 68.868 -0.018 0.000 1.392 1217 T HN 0.054 nan 8.240 nan 0.000 0.500 1218 Y N 0.632 120.935 120.300 0.005 0.000 2.467 1218 Y HA 0.472 5.021 4.550 -0.001 0.000 0.250 1218 Y C 1.390 177.304 175.900 0.023 0.000 1.155 1218 Y CA -0.797 57.300 58.100 -0.006 0.000 1.249 1218 Y CB -0.008 38.417 38.460 -0.058 0.000 1.146 1218 Y HN 0.396 nan 8.280 nan 0.000 0.524 1219 S N 0.807 116.609 115.700 0.169 0.000 2.586 1219 S HA 0.489 4.959 4.470 -0.001 0.000 0.274 1219 S C 0.242 174.909 174.600 0.111 0.000 1.281 1219 S CA -0.602 57.686 58.200 0.146 0.000 1.035 1219 S CB 1.067 64.341 63.200 0.124 0.000 0.962 1219 S HN 0.395 nan 8.310 nan 0.000 0.512 1220 C N 1.801 121.181 119.300 0.134 0.000 3.108 1220 C HA 0.880 5.340 4.460 -0.001 0.000 0.321 1220 C C -1.164 173.915 174.990 0.149 0.000 1.357 1220 C CA -0.957 58.118 59.018 0.095 0.000 1.562 1220 C CB 0.628 28.430 27.740 0.102 0.000 2.003 1220 C HN 0.707 nan 8.230 nan 0.000 0.460 1221 Q N 0.115 119.975 119.800 0.100 0.000 2.399 1221 Q HA 0.829 5.168 4.340 -0.001 0.000 0.276 1221 Q C -1.317 174.735 176.000 0.087 0.000 1.098 1221 Q CA -0.349 55.562 55.803 0.180 0.000 0.827 1221 Q CB 1.829 30.748 28.738 0.300 0.000 1.386 1221 Q HN 0.727 nan 8.270 nan 0.000 0.443 1222 L N 1.967 123.248 121.223 0.096 0.000 2.342 1222 L HA 0.545 4.884 4.340 -0.001 0.000 0.276 1222 L C -1.320 175.514 176.870 -0.059 0.000 0.997 1222 L CA -0.862 53.942 54.840 -0.060 0.000 0.838 1222 L CB 1.152 43.114 42.059 -0.161 0.000 1.224 1222 L HN 0.345 nan 8.230 nan 0.000 0.416 1223 L N 3.285 124.451 121.223 -0.096 0.000 2.322 1223 L HA 0.590 4.930 4.340 -0.001 0.000 0.281 1223 L C -1.081 175.733 176.870 -0.093 0.000 1.014 1223 L CA 0.102 54.936 54.840 -0.011 0.000 0.815 1223 L CB 1.252 43.355 42.059 0.073 0.000 1.247 1223 L HN 0.220 nan 8.230 nan 0.000 0.421 1224 F N 4.711 124.696 119.950 0.058 0.000 2.408 1224 F HA 0.525 5.051 4.527 -0.001 0.000 0.344 1224 F C 0.488 176.265 175.800 -0.039 0.000 1.112 1224 F CA -0.191 57.820 58.000 0.020 0.000 1.096 1224 F CB 1.160 40.181 39.000 0.036 0.000 1.129 1224 F HN 0.391 nan 8.300 nan 0.000 0.486 1225 K N 2.196 122.671 120.400 0.124 0.000 2.444 1225 K HA 0.264 4.583 4.320 -0.001 0.000 0.252 1225 K C 0.590 177.079 176.600 -0.185 0.000 0.993 1225 K CA -1.037 55.248 56.287 -0.004 0.000 0.847 1225 K CB 2.560 35.117 32.500 0.095 0.000 1.340 1225 K HN 0.459 nan 8.250 nan 0.000 0.446 1226 K N 0.745 121.035 120.400 -0.183 0.000 2.020 1226 K HA -0.188 4.132 4.320 -0.001 0.000 0.212 1226 K C 0.288 176.913 176.600 0.042 0.000 1.050 1226 K CA 2.382 58.594 56.287 -0.124 0.000 0.929 1226 K CB 0.149 32.657 32.500 0.014 0.000 0.714 1226 K HN 0.765 nan 8.250 nan 0.000 0.443 1227 D N -3.240 117.182 120.400 0.036 0.000 2.992 1227 D HA 0.000 4.640 4.640 -0.001 0.000 0.349 1227 D C 0.225 176.502 176.300 -0.039 0.000 1.393 1227 D CA -0.431 53.578 54.000 0.015 0.000 0.887 1227 D CB 0.262 41.073 40.800 0.018 0.000 1.447 1227 D HN -0.161 nan 8.370 nan 0.000 0.524 1228 E N 0.281 120.363 120.200 -0.198 0.000 2.028 1228 E HA -0.080 4.269 4.350 -0.001 0.000 0.190 1228 E C 1.716 178.285 176.600 -0.051 0.000 0.984 1228 E CA 1.448 57.689 56.400 -0.265 0.000 0.800 1228 E CB -0.067 29.321 29.700 -0.521 0.000 0.758 1228 E HN 0.387 nan 8.360 nan 0.000 0.448 1229 E N 1.144 121.314 120.200 -0.050 0.000 2.065 1229 E HA -0.145 4.204 4.350 -0.001 0.000 0.201 1229 E C 1.033 177.644 176.600 0.017 0.000 1.016 1229 E CA 1.177 57.572 56.400 -0.008 0.000 0.818 1229 E CB -0.795 28.900 29.700 -0.008 0.000 0.749 1229 E HN 0.281 nan 8.360 nan 0.000 0.453 1230 S N 0.532 116.246 115.700 0.022 0.000 2.569 1230 S HA 0.060 4.530 4.470 -0.001 0.000 0.274 1230 S C 1.001 175.628 174.600 0.045 0.000 1.353 1230 S CA 0.457 58.677 58.200 0.033 0.000 1.023 1230 S CB 0.997 64.218 63.200 0.034 0.000 0.876 1230 S HN 0.277 nan 8.310 nan 0.000 0.540 1231 T N -3.060 111.519 114.554 0.041 0.000 3.084 1231 T HA 0.210 4.560 4.350 -0.001 0.000 0.270 1231 T C -0.239 174.487 174.700 0.042 0.000 1.008 1231 T CA -0.253 61.874 62.100 0.045 0.000 0.900 1231 T CB -0.189 68.702 68.868 0.038 0.000 1.084 1231 T HN 0.616 nan 8.240 nan 0.000 0.538 1232 D N 2.442 122.863 120.400 0.035 0.000 2.317 1232 D HA 0.187 4.827 4.640 -0.001 0.000 0.252 1232 D C -0.305 176.011 176.300 0.026 0.000 1.174 1232 D CA -0.148 53.869 54.000 0.028 0.000 0.866 1232 D CB 0.857 41.670 40.800 0.022 0.000 1.127 1232 D HN 0.414 nan 8.370 nan 0.000 0.467 1233 E N 4.422 124.646 120.200 0.041 0.000 2.175 1233 E HA 0.175 4.524 4.350 -0.001 0.000 0.278 1233 E C 0.876 177.516 176.600 0.067 0.000 0.969 1233 E CA -0.801 55.637 56.400 0.063 0.000 0.796 1233 E CB 1.994 31.750 29.700 0.092 0.000 1.104 1233 E HN 0.416 nan 8.360 nan 0.000 0.395 1234 I N 1.061 121.675 120.570 0.074 0.000 2.206 1234 I HA 0.072 4.242 4.170 -0.001 0.000 0.239 1234 I C 1.198 177.472 176.117 0.261 0.000 1.078 1234 I CA 1.180 62.556 61.300 0.127 0.000 1.367 1234 I CB -1.013 37.040 38.000 0.089 0.000 1.078 1234 I HN 0.687 nan 8.210 nan 0.000 0.413 1235 G N 0.209 109.193 108.800 0.307 0.000 2.320 1235 G HA2 0.461 4.420 3.960 -0.001 0.000 0.296 1235 G HA3 0.461 4.420 3.960 -0.001 0.000 0.296 1235 G C -1.707 173.410 174.900 0.362 0.000 1.306 1235 G CA -0.746 44.557 45.100 0.338 0.000 0.836 1235 G HN 0.018 nan 8.290 nan 0.000 0.517 1236 L N 0.388 121.842 121.223 0.384 0.000 2.334 1236 L HA 0.571 4.910 4.340 -0.001 0.000 0.276 1236 L C 0.175 177.288 176.870 0.405 0.000 1.014 1236 L CA -0.964 54.084 54.840 0.346 0.000 0.815 1236 L CB 1.912 44.139 42.059 0.280 0.000 1.268 1236 L HN 0.392 nan 8.230 nan 0.000 0.428 1237 I N 1.548 122.295 120.570 0.296 0.000 2.529 1237 I HA 0.395 4.564 4.170 -0.001 0.000 0.284 1237 I C 0.776 177.230 176.117 0.563 0.000 1.082 1237 I CA 0.416 61.898 61.300 0.303 0.000 1.406 1237 I CB 0.950 38.962 38.000 0.019 0.000 1.405 1237 I HN 0.753 nan 8.210 nan 0.000 0.548 1238 G N 6.340 115.548 108.800 0.679 0.000 2.664 1238 G HA2 0.651 4.611 3.960 -0.001 0.000 0.303 1238 G HA3 0.651 4.611 3.960 -0.001 0.000 0.303 1238 G C -1.373 173.988 174.900 0.768 0.000 1.243 1238 G CA -0.563 44.986 45.100 0.749 0.000 0.826 1238 G HN 0.400 nan 8.290 nan 0.000 0.498 1239 I N 0.448 121.356 120.570 0.563 0.000 2.498 1239 I HA 0.505 4.675 4.170 -0.001 0.000 0.290 1239 I C -1.043 175.335 176.117 0.436 0.000 1.032 1239 I CA -0.672 60.913 61.300 0.474 0.000 1.073 1239 I CB 2.421 40.572 38.000 0.253 0.000 1.251 1239 I HN 0.659 nan 8.210 nan 0.000 0.426 1240 H N 5.130 124.389 119.070 0.315 0.000 2.961 1240 H HA 0.488 5.044 4.556 -0.001 0.000 0.371 1240 H C -1.153 174.267 175.328 0.155 0.000 1.190 1240 H CA -0.861 55.244 56.048 0.095 0.000 1.138 1240 H CB 1.954 31.635 29.762 -0.134 0.000 1.816 1240 H HN 0.493 nan 8.280 nan 0.000 0.551 1241 R N 3.931 124.047 120.500 -0.641 0.000 2.221 1241 R HA 0.338 4.678 4.340 -0.001 0.000 0.327 1241 R C -1.215 174.855 176.300 -0.384 0.000 1.033 1241 R CA -0.331 55.623 56.100 -0.243 0.000 0.887 1241 R CB 0.107 30.366 30.300 -0.070 0.000 1.057 1241 R HN 0.305 nan 8.270 nan 0.000 0.455 1242 F N 3.212 123.228 119.950 0.110 0.000 2.432 1242 F HA 0.366 4.892 4.527 -0.001 0.000 0.329 1242 F C -0.130 175.811 175.800 0.236 0.000 1.076 1242 F CA -0.442 57.674 58.000 0.192 0.000 1.018 1242 F CB 0.718 39.856 39.000 0.230 0.000 1.201 1242 F HN 0.376 nan 8.300 nan 0.000 0.489 1243 Y N 0.738 121.093 120.300 0.092 0.000 2.488 1243 Y HA 0.535 5.085 4.550 -0.001 0.000 0.325 1243 Y C -0.207 175.702 175.900 0.015 0.000 1.204 1243 Y CA -1.294 56.762 58.100 -0.075 0.000 1.229 1243 Y CB 1.537 39.897 38.460 -0.167 0.000 1.274 1243 Y HN 0.566 nan 8.280 nan 0.000 0.493 1244 E N 0.715 120.938 120.200 0.039 0.000 2.597 1244 E HA 0.387 4.736 4.350 -0.001 0.000 0.310 1244 E C -1.935 174.660 176.600 -0.009 0.000 0.970 1244 E CA -0.440 55.996 56.400 0.061 0.000 0.819 1244 E CB 0.992 30.740 29.700 0.080 0.000 1.267 1244 E HN 0.572 nan 8.360 nan 0.000 0.411 1245 S N 1.818 117.527 115.700 0.016 0.000 2.513 1245 S HA 0.626 5.096 4.470 -0.001 0.000 0.299 1245 S C 0.861 175.482 174.600 0.035 0.000 1.087 1245 S CA -0.205 58.002 58.200 0.013 0.000 1.012 1245 S CB 1.689 64.888 63.200 -0.003 0.000 1.044 1245 S HN 0.635 nan 8.310 nan 0.000 0.485 1246 G N 1.117 109.951 108.800 0.058 0.000 2.394 1246 G HA2 0.178 4.137 3.960 -0.001 0.000 0.215 1246 G HA3 0.178 4.137 3.960 -0.001 0.000 0.215 1246 G C 0.929 175.849 174.900 0.034 0.000 1.165 1246 G CA 0.889 46.027 45.100 0.063 0.000 0.784 1246 G HN 1.614 nan 8.290 nan 0.000 0.535 1247 I N -4.655 115.920 120.570 0.008 0.000 2.797 1247 I HA 0.077 4.247 4.170 -0.001 0.000 0.353 1247 I C 0.299 176.361 176.117 -0.091 0.000 0.924 1247 I CA -0.365 60.919 61.300 -0.027 0.000 0.805 1247 I CB -0.651 37.341 38.000 -0.013 0.000 3.475 1247 I HN -0.078 nan 8.210 nan 0.000 0.928 1248 V N 0.226 120.075 119.914 -0.109 0.000 3.159 1248 V HA 0.433 4.553 4.120 -0.001 0.000 0.234 1248 V C -0.275 175.400 176.094 -0.699 0.000 1.313 1248 V CA 0.863 62.941 62.300 -0.370 0.000 1.271 1248 V CB 0.970 32.700 31.823 -0.156 0.000 1.053 1248 V HN 0.256 nan 8.190 nan 0.000 0.476 1249 F N 0.898 120.852 119.950 0.007 0.000 2.745 1249 F HA 0.447 4.974 4.527 -0.001 0.000 0.343 1249 F C -0.038 175.758 175.800 -0.006 0.000 1.196 1249 F CA -0.853 57.152 58.000 0.008 0.000 1.021 1249 F CB 1.115 40.122 39.000 0.012 0.000 1.297 1249 F HN -0.023 nan 8.300 nan 0.000 0.486 1250 E N 2.817 123.079 120.200 0.104 0.000 2.498 1250 E HA 0.078 4.428 4.350 -0.001 0.000 0.252 1250 E C -0.532 176.041 176.600 -0.045 0.000 1.025 1250 E CA 0.352 56.739 56.400 -0.022 0.000 0.938 1250 E CB 0.586 30.255 29.700 -0.052 0.000 0.947 1250 E HN 0.566 nan 8.360 nan 0.000 0.478 1251 E N 1.813 121.936 120.200 -0.128 0.000 2.221 1251 E HA 0.366 4.715 4.350 -0.001 0.000 0.268 1251 E C -1.124 175.316 176.600 -0.267 0.000 0.933 1251 E CA -0.632 55.741 56.400 -0.046 0.000 0.809 1251 E CB 1.015 30.735 29.700 0.034 0.000 1.190 1251 E HN 0.323 nan 8.360 nan 0.000 0.406 1252 Y N 0.727 120.922 120.300 -0.175 0.000 2.650 1252 Y HA 0.661 5.210 4.550 -0.001 0.000 0.331 1252 Y C -0.418 175.468 175.900 -0.024 0.000 1.082 1252 Y CA -1.024 56.986 58.100 -0.151 0.000 1.171 1252 Y CB 1.572 39.922 38.460 -0.184 0.000 1.326 1252 Y HN 0.255 nan 8.280 nan 0.000 0.513 1253 K N 0.877 121.407 120.400 0.217 0.000 2.594 1253 K HA 0.239 4.558 4.320 -0.001 0.000 0.262 1253 K C -2.559 174.123 176.600 0.137 0.000 0.954 1253 K CA -0.392 55.954 56.287 0.097 0.000 0.917 1253 K CB 0.854 33.419 32.500 0.108 0.000 1.343 1253 K HN 0.565 nan 8.250 nan 0.000 0.428 1254 D N 3.736 124.113 120.400 -0.039 0.000 2.225 1254 D HA 0.314 4.953 4.640 -0.001 0.000 0.248 1254 D C -0.423 175.847 176.300 -0.051 0.000 1.096 1254 D CA 0.170 54.219 54.000 0.082 0.000 0.863 1254 D CB 0.745 41.567 40.800 0.037 0.000 1.156 1254 D HN 0.338 nan 8.370 nan 0.000 0.450 1255 Y N 0.155 120.663 120.300 0.347 0.000 2.602 1255 Y HA 0.302 4.852 4.550 -0.001 0.000 0.342 1255 Y C -0.086 176.087 175.900 0.454 0.000 1.029 1255 Y CA -1.341 56.941 58.100 0.303 0.000 1.080 1255 Y CB 1.234 39.755 38.460 0.102 0.000 1.284 1255 Y HN 0.205 nan 8.280 nan 0.000 0.485 1256 F N 3.923 124.112 119.950 0.397 0.000 2.471 1256 F HA 0.445 4.971 4.527 -0.001 0.000 0.365 1256 F C 0.145 176.162 175.800 0.361 0.000 1.095 1256 F CA -1.310 56.900 58.000 0.349 0.000 1.174 1256 F CB -0.452 38.692 39.000 0.239 0.000 1.105 1256 F HN 0.636 nan 8.300 nan 0.000 0.535 1257 C N 6.466 126.021 119.300 0.425 0.000 3.213 1257 C HA 0.797 5.256 4.460 -0.001 0.000 0.319 1257 C C -0.531 174.586 174.990 0.212 0.000 1.386 1257 C CA -1.265 57.934 59.018 0.303 0.000 1.494 1257 C CB 1.187 29.262 27.740 0.559 0.000 1.905 1257 C HN 0.921 nan 8.230 nan 0.000 0.456 1258 I N 1.899 122.548 120.570 0.132 0.000 2.474 1258 I HA 0.641 4.811 4.170 -0.001 0.000 0.294 1258 I C -0.395 175.835 176.117 0.189 0.000 1.005 1258 I CA 0.243 61.634 61.300 0.150 0.000 1.113 1258 I CB 1.689 39.651 38.000 -0.063 0.000 1.289 1258 I HN 0.976 nan 8.210 nan 0.000 0.436 1259 S N 5.639 121.535 115.700 0.328 0.000 2.557 1259 S HA 0.437 4.906 4.470 -0.001 0.000 0.291 1259 S C 0.345 175.126 174.600 0.302 0.000 1.116 1259 S CA -0.747 57.599 58.200 0.244 0.000 0.992 1259 S CB 1.805 64.998 63.200 -0.012 0.000 1.028 1259 S HN 0.806 nan 8.310 nan 0.000 0.484 1260 K N 2.554 123.116 120.400 0.270 0.000 2.167 1260 K HA -0.014 4.306 4.320 -0.001 0.000 0.203 1260 K C 1.426 178.126 176.600 0.166 0.000 1.052 1260 K CA 0.817 57.238 56.287 0.223 0.000 0.956 1260 K CB -0.126 32.487 32.500 0.187 0.000 0.735 1260 K HN 0.761 nan 8.250 nan 0.000 0.451 1261 W N 1.394 122.652 121.300 -0.071 0.000 2.318 1261 W HA -0.283 4.376 4.660 -0.001 0.000 0.313 1261 W C 1.481 177.953 176.519 -0.079 0.000 1.221 1261 W CA 1.646 58.906 57.345 -0.142 0.000 1.266 1261 W CB -0.414 28.865 29.460 -0.303 0.000 1.150 1261 W HN 0.027 nan 8.180 nan 0.000 0.496 1262 Y N 0.430 120.756 120.300 0.043 0.000 2.193 1262 Y HA -0.280 4.270 4.550 -0.001 0.000 0.285 1262 Y C 2.522 178.263 175.900 -0.265 0.000 1.166 1262 Y CA 1.759 59.747 58.100 -0.187 0.000 1.181 1262 Y CB -1.401 37.096 38.460 0.061 0.000 0.976 1262 Y HN -0.018 nan 8.280 nan 0.000 0.520 1263 L N 0.335 121.569 121.223 0.019 0.000 2.064 1263 L HA -0.335 4.004 4.340 -0.001 0.000 0.216 1263 L C 2.363 179.146 176.870 -0.146 0.000 1.077 1263 L CA 2.437 57.248 54.840 -0.047 0.000 0.766 1263 L CB -0.640 41.431 42.059 0.020 0.000 0.890 1263 L HN 0.352 nan 8.230 nan 0.000 0.435 1264 K N -1.552 118.726 120.400 -0.202 0.000 2.323 1264 K HA -0.015 4.305 4.320 -0.001 0.000 0.197 1264 K C 1.676 178.105 176.600 -0.284 0.000 1.043 1264 K CA 0.237 56.399 56.287 -0.208 0.000 0.997 1264 K CB -0.004 32.386 32.500 -0.183 0.000 0.807 1264 K HN 0.077 nan 8.250 nan 0.000 0.497 1265 E N 1.669 121.608 120.200 -0.436 0.000 2.110 1265 E HA -0.119 4.231 4.350 -0.001 0.000 0.193 1265 E C 2.140 178.547 176.600 -0.322 0.000 0.988 1265 E CA 1.667 57.777 56.400 -0.483 0.000 0.804 1265 E CB -0.150 29.060 29.700 -0.816 0.000 0.745 1265 E HN 0.391 nan 8.360 nan 0.000 0.458 1266 V N -1.385 118.356 119.914 -0.288 0.000 3.510 1266 V HA 0.029 4.148 4.120 -0.001 0.000 0.270 1266 V C 1.527 177.552 176.094 -0.114 0.000 1.201 1266 V CA 0.893 63.069 62.300 -0.206 0.000 1.166 1266 V CB -0.480 31.069 31.823 -0.456 0.000 0.825 1266 V HN 0.023 nan 8.190 nan 0.000 0.484 1267 K N 0.170 120.488 120.400 -0.138 0.000 2.323 1267 K HA 0.238 4.558 4.320 -0.001 0.000 0.197 1267 K C 0.832 177.412 176.600 -0.032 0.000 1.043 1267 K CA -0.167 56.082 56.287 -0.064 0.000 0.997 1267 K CB 0.176 32.630 32.500 -0.077 0.000 0.807 1267 K HN 0.462 nan 8.250 nan 0.000 0.497 1268 R N 1.853 122.312 120.500 -0.068 0.000 2.679 1268 R HA 0.095 4.435 4.340 -0.001 0.000 0.268 1268 R C -0.183 176.111 176.300 -0.011 0.000 1.044 1268 R CA 0.312 56.379 56.100 -0.055 0.000 1.105 1268 R CB 0.351 30.593 30.300 -0.098 0.000 0.989 1268 R HN -0.183 nan 8.270 nan 0.000 0.447 1269 K N 3.088 123.486 120.400 -0.003 0.000 2.324 1269 K HA 0.383 4.703 4.320 -0.001 0.000 0.253 1269 K C -1.849 174.756 176.600 0.008 0.000 0.932 1269 K CA -1.797 54.504 56.287 0.022 0.000 0.799 1269 K CB 1.319 33.835 32.500 0.025 0.000 1.154 1269 K HN 0.558 nan 8.250 nan 0.000 0.425 1270 P HA 0.132 nan 4.420 nan 0.000 0.274 1270 P C -0.560 176.777 177.300 0.062 0.000 1.256 1270 P CA -0.466 62.664 63.100 0.050 0.000 0.795 1270 P CB 0.409 32.136 31.700 0.046 0.000 1.038 1271 Y N 1.663 121.961 120.300 -0.005 0.000 2.632 1271 Y HA -0.012 4.537 4.550 -0.001 0.000 0.329 1271 Y C 0.762 176.656 175.900 -0.010 0.000 1.174 1271 Y CA -0.108 57.987 58.100 -0.009 0.000 1.469 1271 Y CB -0.123 38.345 38.460 0.014 0.000 1.242 1271 Y HN 0.298 nan 8.280 nan 0.000 0.540 1272 N N 6.650 124.950 118.700 -0.666 0.000 2.405 1272 N HA 0.017 4.757 4.740 -0.001 0.000 0.260 1272 N C 0.328 175.520 175.510 -0.531 0.000 1.152 1272 N CA 0.027 52.797 53.050 -0.466 0.000 0.948 1272 N CB 0.421 38.689 38.487 -0.365 0.000 1.111 1272 N HN 0.776 nan 8.380 nan 0.000 0.485 1273 L N 2.644 123.753 121.223 -0.190 0.000 2.478 1273 L HA 0.056 4.395 4.340 -0.001 0.000 0.223 1273 L C 1.334 178.165 176.870 -0.065 0.000 1.140 1273 L CA 0.817 55.625 54.840 -0.053 0.000 0.842 1273 L CB -0.389 41.688 42.059 0.029 0.000 0.953 1273 L HN 0.485 nan 8.230 nan 0.000 0.452 1274 K N 0.310 120.659 120.400 -0.085 0.000 2.417 1274 K HA 0.234 4.554 4.320 -0.001 0.000 0.196 1274 K C 0.613 177.186 176.600 -0.044 0.000 1.023 1274 K CA -0.141 56.114 56.287 -0.053 0.000 1.122 1274 K CB 0.152 32.639 32.500 -0.022 0.000 0.850 1274 K HN 0.262 nan 8.250 nan 0.000 0.521 1275 L N 0.268 121.442 121.223 -0.081 0.000 2.456 1275 L HA 0.043 4.383 4.340 -0.001 0.000 0.272 1275 L C 1.657 178.470 176.870 -0.096 0.000 1.189 1275 L CA -0.052 54.780 54.840 -0.014 0.000 0.846 1275 L CB 0.505 42.487 42.059 -0.127 0.000 1.111 1275 L HN 0.165 nan 8.230 nan 0.000 0.475 1276 G N 0.887 109.711 108.800 0.040 0.000 2.848 1276 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.208 1276 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.208 1276 G C 1.023 175.684 174.900 -0.399 0.000 1.152 1276 G CA 0.420 45.459 45.100 -0.103 0.000 0.789 1276 G HN 0.887 nan 8.290 nan 0.000 0.531 1277 C N -1.313 117.609 119.300 -0.630 0.000 2.855 1277 C HA 0.387 4.846 4.460 -0.001 0.000 0.279 1277 C C 0.483 175.329 174.990 -0.239 0.000 1.270 1277 C CA -1.754 56.946 59.018 -0.529 0.000 1.702 1277 C CB -1.711 25.479 27.740 -0.916 0.000 1.949 1277 C HN 0.230 nan 8.230 nan 0.000 0.618 1278 N N 0.623 119.107 118.700 -0.360 0.000 2.426 1278 N HA 0.449 5.188 4.740 -0.001 0.000 0.257 1278 N C -1.216 174.062 175.510 -0.387 0.000 1.002 1278 N CA -0.176 52.771 53.050 -0.171 0.000 0.942 1278 N CB 0.658 39.105 38.487 -0.067 0.000 1.112 1278 N HN 0.544 nan 8.380 nan 0.000 0.499 1279 W N 1.038 122.291 121.300 -0.079 0.000 2.706 1279 W HA 0.470 5.130 4.660 -0.001 0.000 0.346 1279 W C -0.136 176.285 176.519 -0.163 0.000 1.071 1279 W CA -0.584 56.647 57.345 -0.189 0.000 1.206 1279 W CB 1.320 30.575 29.460 -0.341 0.000 1.413 1279 W HN 0.151 nan 8.180 nan 0.000 0.542 1280 Q N 1.341 121.189 119.800 0.081 0.000 2.359 1280 Q HA 0.455 4.795 4.340 -0.001 0.000 0.274 1280 Q C -1.579 174.312 176.000 -0.180 0.000 1.074 1280 Q CA -1.036 54.817 55.803 0.083 0.000 0.810 1280 Q CB 2.582 31.550 28.738 0.382 0.000 1.342 1280 Q HN 0.289 nan 8.270 nan 0.000 0.427 1281 F N 2.295 122.212 119.950 -0.055 0.000 2.415 1281 F HA 0.478 5.005 4.527 -0.001 0.000 0.348 1281 F C 0.096 175.819 175.800 -0.128 0.000 1.119 1281 F CA -0.602 57.274 58.000 -0.207 0.000 1.069 1281 F CB 0.827 39.338 39.000 -0.815 0.000 1.124 1281 F HN 0.271 nan 8.300 nan 0.000 0.472 1282 I N 6.167 126.848 120.570 0.185 0.000 2.328 1282 I HA 0.330 4.499 4.170 -0.001 0.000 0.287 1282 I C -2.459 173.995 176.117 0.562 0.000 1.012 1282 I CA -1.963 59.392 61.300 0.093 0.000 1.195 1282 I CB 1.403 39.211 38.000 -0.320 0.000 1.350 1282 I HN 0.285 nan 8.210 nan 0.000 0.464 1283 P HA 0.301 nan 4.420 nan 0.000 0.287 1283 P C -1.052 176.614 177.300 0.609 0.000 1.279 1283 P CA -0.917 62.525 63.100 0.570 0.000 0.867 1283 P CB 1.471 33.451 31.700 0.467 0.000 1.127 1284 K N 1.197 121.760 120.400 0.272 0.000 2.436 1284 K HA 0.153 4.472 4.320 -0.001 0.000 0.275 1284 K C 0.169 176.883 176.600 0.191 0.000 0.999 1284 K CA 0.552 56.845 56.287 0.010 0.000 0.980 1284 K CB 0.229 32.566 32.500 -0.271 0.000 0.919 1284 K HN 0.500 nan 8.250 nan 0.000 0.484 1285 D N 1.692 122.228 120.400 0.226 0.000 2.964 1285 D HA -0.015 4.624 4.640 -0.001 0.000 0.234 1285 D C 0.584 176.925 176.300 0.068 0.000 1.223 1285 D CA -0.224 53.797 54.000 0.035 0.000 0.889 1285 D CB 1.393 41.958 40.800 -0.392 0.000 1.609 1285 D HN 0.704 nan 8.370 nan 0.000 0.523 1286 E N 1.779 122.017 120.200 0.063 0.000 2.331 1286 E HA -0.116 4.233 4.350 -0.001 0.000 0.199 1286 E C 1.195 177.923 176.600 0.213 0.000 1.008 1286 E CA 1.049 57.520 56.400 0.119 0.000 0.843 1286 E CB -0.127 29.616 29.700 0.071 0.000 0.761 1286 E HN 0.437 nan 8.360 nan 0.000 0.507 1287 G N 0.313 109.221 108.800 0.180 0.000 2.813 1287 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.209 1287 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.209 1287 G C -0.341 174.543 174.900 -0.027 0.000 1.150 1287 G CA -0.256 44.915 45.100 0.118 0.000 0.785 1287 G HN 0.321 nan 8.290 nan 0.000 0.535 1288 W N 2.355 123.538 121.300 -0.195 0.000 2.687 1288 W HA 0.479 5.139 4.660 -0.001 0.000 0.328 1288 W C -1.008 175.503 176.519 -0.014 0.000 1.012 1288 W CA -0.696 56.538 57.345 -0.185 0.000 1.262 1288 W CB 1.499 30.847 29.460 -0.186 0.000 1.331 1288 W HN 0.015 nan 8.180 nan 0.000 0.433 1289 T N 2.228 116.571 114.554 -0.351 0.000 2.841 1289 T HA 0.715 5.064 4.350 -0.001 0.000 0.283 1289 T C -0.496 173.994 174.700 -0.351 0.000 1.000 1289 T CA -0.483 61.535 62.100 -0.135 0.000 0.977 1289 T CB 2.788 71.600 68.868 -0.093 0.000 0.979 1289 T HN 0.567 nan 8.240 nan 0.000 0.446 1290 E N 0.000 120.170 120.200 -0.051 0.000 2.725 1290 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 1290 E CA 0.000 56.406 56.400 0.010 0.000 0.976 1290 E CB 0.000 29.753 29.700 0.089 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440