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 2efb_1_B DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVTcDEQSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLAVPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SSEHSKVQcE EYcVQGDEcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLARDQI NAVTSFLDAS LVYGSEPSLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYPPFN NVKPSPcEFI NTTAHVPcFQ DATA SEQUENCE AGDSRASEQI LLATVHTLLL REHNRLAREL KRLNPHWDGE MLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKNSKLMNQN KMVTSELRNK LFQPTHKVHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQAV LKNKVLAKKL LDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS AVDKLDLSPW ASREN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.780 174.600 0.300 0.000 1.055 1 S CA 0.000 58.294 58.200 0.157 0.000 1.107 1 S CB 0.000 63.279 63.200 0.132 0.000 0.593 2 W N 1.284 122.593 121.300 0.016 0.000 3.372 2 W HA 0.657 5.316 4.660 -0.002 0.000 0.315 2 W C -1.115 175.412 176.519 0.014 0.000 1.223 2 W CA -0.056 57.297 57.345 0.012 0.000 1.202 2 W CB 1.424 30.888 29.460 0.007 0.000 1.367 2 W HN 0.872 nan 8.180 nan 0.000 0.531 3 E N 2.020 122.097 120.200 -0.204 0.000 2.359 3 E HA -0.161 4.188 4.350 -0.001 0.000 0.157 3 E C 0.945 177.518 176.600 -0.045 0.000 1.718 3 E CA 1.202 57.484 56.400 -0.196 0.000 0.620 3 E CB -0.796 28.754 29.700 -0.249 0.000 1.057 3 E HN 0.640 nan 8.360 nan 0.000 0.322 4 V N -0.122 119.776 119.914 -0.027 0.000 3.519 4 V HA 0.178 4.297 4.120 -0.001 0.000 0.272 4 V C 1.098 177.196 176.094 0.007 0.000 1.238 4 V CA 1.111 63.418 62.300 0.011 0.000 1.194 4 V CB -0.160 31.674 31.823 0.018 0.000 0.923 4 V HN 0.555 nan 8.190 nan 0.000 0.517 5 G N -1.384 107.410 108.800 -0.009 0.000 4.034 5 G HA2 0.209 4.169 3.960 -0.001 0.000 0.243 5 G HA3 0.209 4.169 3.960 -0.001 0.000 0.243 5 G C -0.472 174.417 174.900 -0.019 0.000 3.856 5 G CA 0.011 45.108 45.100 -0.005 0.000 0.558 5 G HN 0.332 nan 8.290 nan 0.000 0.231 6 c N 0.358 118.952 118.600 -0.011 0.000 2.705 6 c HA 0.789 5.358 4.570 -0.001 0.000 0.382 6 c C 1.417 175.502 174.090 -0.008 0.000 1.322 6 c CA 1.137 57.458 56.329 -0.014 0.000 2.290 6 c CB 0.494 43.006 42.510 0.004 0.000 2.650 6 c HN 0.844 nan 8.230 nan 0.000 0.695 7 G N 0.449 109.240 108.800 -0.014 0.000 2.498 7 G HA2 0.824 4.783 3.960 -0.001 0.000 0.312 7 G HA3 0.824 4.783 3.960 -0.001 0.000 0.312 7 G C -1.030 173.856 174.900 -0.024 0.000 1.230 7 G CA 0.367 45.458 45.100 -0.015 0.000 0.968 7 G HN 1.312 nan 8.290 nan 0.000 0.481 8 A N 0.874 123.679 122.820 -0.026 0.000 2.593 8 A HA 0.875 5.195 4.320 -0.001 0.000 0.304 8 A C -2.190 175.374 177.584 -0.034 0.000 1.233 8 A CA -0.716 51.295 52.037 -0.042 0.000 0.661 8 A CB 0.004 18.972 19.000 -0.054 0.000 1.338 8 A HN 0.385 nan 8.150 nan 0.000 0.495 9 P HA -0.062 nan 4.420 nan 0.000 0.226 9 P C 0.145 177.438 177.300 -0.012 0.000 1.139 9 P CA 0.658 63.741 63.100 -0.029 0.000 0.777 9 P CB -0.673 31.006 31.700 -0.035 0.000 0.757 10 V N 2.003 121.913 119.914 -0.007 0.000 2.613 10 V HA -0.099 4.020 4.120 -0.001 0.000 0.289 10 V C -1.021 175.078 176.094 0.009 0.000 0.985 10 V CA -0.204 62.100 62.300 0.007 0.000 1.181 10 V CB -1.162 30.666 31.823 0.008 0.000 0.883 10 V HN 0.228 nan 8.190 nan 0.000 0.465 11 P HA 0.351 nan 4.420 nan 0.000 0.341 11 P C 0.946 178.256 177.300 0.017 0.000 1.332 11 P CA -0.700 62.408 63.100 0.014 0.000 0.769 11 P CB 0.143 31.854 31.700 0.018 0.000 1.726 12 L N -1.445 119.788 121.223 0.017 0.000 2.021 12 L HA -0.093 4.246 4.340 -0.001 0.000 0.244 12 L C 0.951 177.833 176.870 0.020 0.000 1.094 12 L CA 1.400 56.250 54.840 0.016 0.000 0.842 12 L CB -2.450 39.618 42.059 0.014 0.000 0.921 12 L HN 0.056 nan 8.230 nan 0.000 0.435 13 V N -1.879 118.049 119.914 0.024 0.000 3.166 13 V HA 0.588 4.707 4.120 -0.001 0.000 0.317 13 V C 0.384 176.497 176.094 0.031 0.000 1.136 13 V CA -0.505 61.810 62.300 0.024 0.000 1.035 13 V CB 1.660 33.495 31.823 0.020 0.000 1.110 13 V HN 0.680 nan 8.190 nan 0.000 0.450 14 T N -0.185 114.386 114.554 0.029 0.000 2.849 14 T HA 0.333 4.683 4.350 -0.001 0.000 0.276 14 T C -0.340 174.381 174.700 0.034 0.000 0.971 14 T CA -0.237 61.882 62.100 0.033 0.000 0.949 14 T CB 0.939 69.823 68.868 0.028 0.000 1.093 14 T HN 0.775 nan 8.240 nan 0.000 0.545 15 c N 1.228 119.851 118.600 0.037 0.000 2.369 15 c HA 0.278 4.848 4.570 -0.001 0.000 0.358 15 c C 1.639 175.750 174.090 0.034 0.000 1.274 15 c CA -0.578 55.776 56.329 0.042 0.000 1.935 15 c CB -0.232 42.307 42.510 0.049 0.000 2.431 15 c HN 0.959 nan 8.230 nan 0.000 0.545 16 D N 0.260 120.682 120.400 0.036 0.000 2.371 16 D HA -0.029 4.610 4.640 -0.001 0.000 0.234 16 D C 1.570 177.884 176.300 0.024 0.000 1.049 16 D CA 0.621 54.639 54.000 0.029 0.000 0.907 16 D CB -0.036 40.784 40.800 0.033 0.000 0.891 16 D HN 0.761 nan 8.370 nan 0.000 0.531 17 E N -0.499 119.718 120.200 0.029 0.000 3.820 17 E HA -0.339 4.010 4.350 -0.001 0.000 0.244 17 E C 0.585 177.190 176.600 0.008 0.000 0.698 17 E CA 1.667 58.080 56.400 0.021 0.000 0.976 17 E CB -0.472 29.237 29.700 0.015 0.000 1.529 17 E HN 0.377 nan 8.360 nan 0.000 0.419 18 Q N -1.051 118.751 119.800 0.003 0.000 2.093 18 Q HA 0.210 4.549 4.340 -0.001 0.000 0.217 18 Q C -0.295 175.687 176.000 -0.030 0.000 0.785 18 Q CA 0.504 56.297 55.803 -0.017 0.000 1.038 18 Q CB 1.248 29.974 28.738 -0.020 0.000 1.190 18 Q HN 0.157 nan 8.270 nan 0.000 0.468 19 S N 3.019 118.714 115.700 -0.008 0.000 2.549 19 S HA 0.174 4.643 4.470 -0.001 0.000 0.283 19 S C -1.436 173.129 174.600 -0.059 0.000 1.320 19 S CA -0.795 57.385 58.200 -0.034 0.000 1.058 19 S CB 0.729 63.944 63.200 0.025 0.000 0.882 19 S HN 0.062 nan 8.310 nan 0.000 0.498 20 P HA 0.185 nan 4.420 nan 0.000 0.257 20 P C -0.957 176.090 177.300 -0.421 0.000 1.281 20 P CA 0.178 63.064 63.100 -0.357 0.000 0.826 20 P CB -0.059 31.274 31.700 -0.612 0.000 1.237 21 Y N -0.015 120.242 120.300 -0.072 0.000 2.509 21 Y HA 0.457 5.006 4.550 -0.001 0.000 0.341 21 Y C 1.307 176.845 175.900 -0.604 0.000 1.038 21 Y CA -1.416 56.504 58.100 -0.299 0.000 1.089 21 Y CB 1.143 39.483 38.460 -0.200 0.000 1.241 21 Y HN -0.326 nan 8.280 nan 0.000 0.468 22 R N 0.313 120.425 120.500 -0.647 0.000 2.641 22 R HA 0.324 4.663 4.340 -0.001 0.000 0.269 22 R C 0.028 176.169 176.300 -0.265 0.000 1.074 22 R CA -0.296 55.383 56.100 -0.701 0.000 1.133 22 R CB 0.391 30.356 30.300 -0.557 0.000 1.029 22 R HN 0.792 nan 8.270 nan 0.000 0.488 23 T N -0.930 113.528 114.554 -0.159 0.000 2.882 23 T HA 0.165 4.514 4.350 -0.001 0.000 0.287 23 T C 1.611 176.306 174.700 -0.009 0.000 1.014 23 T CA -0.918 61.158 62.100 -0.041 0.000 1.049 23 T CB 0.743 69.619 68.868 0.013 0.000 1.001 23 T HN 0.266 nan 8.240 nan 0.000 0.525 24 I N 2.168 122.754 120.570 0.026 0.000 2.142 24 I HA -0.153 4.016 4.170 -0.001 0.000 0.240 24 I C 3.023 179.193 176.117 0.089 0.000 1.078 24 I CA 2.192 63.529 61.300 0.062 0.000 1.343 24 I CB -1.840 36.205 38.000 0.073 0.000 1.046 24 I HN 0.988 nan 8.210 nan 0.000 0.405 25 T N -1.367 113.237 114.554 0.084 0.000 2.881 25 T HA 0.004 4.353 4.350 -0.001 0.000 0.270 25 T C 1.651 176.438 174.700 0.145 0.000 1.068 25 T CA 1.240 63.401 62.100 0.101 0.000 1.131 25 T CB -0.383 68.534 68.868 0.082 0.000 0.871 25 T HN 0.566 nan 8.240 nan 0.000 0.479 26 G N 1.105 109.997 108.800 0.152 0.000 2.176 26 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.232 26 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.232 26 G C -0.198 174.857 174.900 0.258 0.000 0.986 26 G CA 0.034 45.286 45.100 0.253 0.000 0.643 26 G HN 0.608 nan 8.290 nan 0.000 0.522 27 D N -0.632 119.867 120.400 0.166 0.000 2.354 27 D HA 0.293 4.932 4.640 -0.001 0.000 0.238 27 D C 1.598 177.973 176.300 0.124 0.000 1.250 27 D CA 1.015 55.103 54.000 0.145 0.000 0.911 27 D CB 0.634 41.495 40.800 0.102 0.000 1.163 27 D HN 0.722 nan 8.370 nan 0.000 0.456 28 c N 0.283 118.955 118.600 0.120 0.000 4.320 28 c HA -0.166 4.403 4.570 -0.001 0.000 0.281 28 c C 1.943 176.107 174.090 0.124 0.000 1.432 28 c CA 0.097 56.491 56.329 0.108 0.000 1.884 28 c CB -2.722 39.842 42.510 0.091 0.000 1.378 28 c HN 0.720 nan 8.230 nan 0.000 0.771 29 N N 1.669 120.439 118.700 0.117 0.000 2.092 29 N HA -0.092 4.647 4.740 -0.001 0.000 0.189 29 N C 0.533 176.083 175.510 0.067 0.000 1.040 29 N CA 1.261 54.340 53.050 0.048 0.000 0.845 29 N CB -0.099 38.239 38.487 -0.248 0.000 1.017 29 N HN 0.802 nan 8.380 nan 0.000 0.426 30 N N 0.815 119.618 118.700 0.173 0.000 2.455 30 N HA 0.067 4.806 4.740 -0.001 0.000 0.280 30 N C 0.672 176.268 175.510 0.144 0.000 1.055 30 N CA -0.064 53.110 53.050 0.207 0.000 0.961 30 N CB 1.108 39.747 38.487 0.253 0.000 1.121 30 N HN 0.129 nan 8.380 nan 0.000 0.476 31 R N 2.382 122.956 120.500 0.124 0.000 2.093 31 R HA 0.092 4.431 4.340 -0.001 0.000 0.224 31 R C 1.939 178.285 176.300 0.076 0.000 1.101 31 R CA 1.135 57.286 56.100 0.085 0.000 0.979 31 R CB 0.237 30.577 30.300 0.067 0.000 0.877 31 R HN 0.577 nan 8.270 nan 0.000 0.441 32 R N -0.556 119.992 120.500 0.079 0.000 2.073 32 R HA 0.080 4.419 4.340 -0.001 0.000 0.229 32 R C 0.380 176.721 176.300 0.068 0.000 1.120 32 R CA 0.903 57.040 56.100 0.062 0.000 0.967 32 R CB 0.109 30.440 30.300 0.052 0.000 0.862 32 R HN -0.067 nan 8.270 nan 0.000 0.436 33 S N 1.684 117.437 115.700 0.088 0.000 2.328 33 S HA 0.198 4.667 4.470 -0.001 0.000 0.204 33 S C -1.906 172.761 174.600 0.112 0.000 1.475 33 S CA -1.185 57.070 58.200 0.092 0.000 1.148 33 S CB 1.603 64.860 63.200 0.095 0.000 1.077 33 S HN 0.096 nan 8.310 nan 0.000 0.479 34 P HA -0.082 nan 4.420 nan 0.000 0.221 34 P C 0.925 178.301 177.300 0.127 0.000 1.145 34 P CA 0.729 63.894 63.100 0.109 0.000 0.795 34 P CB 0.193 31.943 31.700 0.083 0.000 0.775 35 A N -1.115 121.774 122.820 0.114 0.000 2.238 35 A HA 0.109 4.428 4.320 -0.001 0.000 0.210 35 A C 0.989 178.655 177.584 0.137 0.000 1.179 35 A CA -0.148 51.958 52.037 0.115 0.000 0.827 35 A CB -0.818 18.232 19.000 0.083 0.000 0.856 35 A HN 0.121 nan 8.150 nan 0.000 0.488 36 L N 0.746 122.063 121.223 0.157 0.000 2.500 36 L HA 0.436 4.775 4.340 -0.001 0.000 0.272 36 L C 1.342 178.349 176.870 0.228 0.000 1.149 36 L CA 1.582 56.521 54.840 0.165 0.000 0.897 36 L CB 0.048 42.211 42.059 0.173 0.000 1.178 36 L HN 0.634 nan 8.230 nan 0.000 0.473 37 G N 2.752 111.609 108.800 0.095 0.000 2.194 37 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.236 37 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.236 37 G C 0.489 175.407 174.900 0.031 0.000 0.987 37 G CA 0.156 45.185 45.100 -0.119 0.000 0.635 37 G HN 1.086 nan 8.290 nan 0.000 0.520 38 A N 0.250 123.166 122.820 0.161 0.000 2.327 38 A HA 0.866 5.186 4.320 -0.001 0.000 0.255 38 A C 1.007 178.650 177.584 0.098 0.000 1.099 38 A CA 1.090 53.228 52.037 0.168 0.000 0.801 38 A CB 0.357 19.445 19.000 0.148 0.000 1.062 38 A HN 2.072 nan 8.150 nan 0.000 0.496 39 A N -0.083 122.798 122.820 0.102 0.000 2.271 39 A HA 0.545 4.864 4.320 -0.001 0.000 0.288 39 A C 0.708 178.323 177.584 0.052 0.000 1.094 39 A CA -0.043 52.039 52.037 0.076 0.000 0.828 39 A CB -0.075 18.978 19.000 0.090 0.000 1.091 39 A HN 1.254 nan 8.150 nan 0.000 0.493 40 N N -0.832 117.888 118.700 0.034 0.000 2.782 40 N HA -0.117 4.622 4.740 -0.001 0.000 0.251 40 N C -0.383 175.131 175.510 0.006 0.000 1.101 40 N CA 1.223 54.279 53.050 0.010 0.000 0.764 40 N CB -0.754 37.738 38.487 0.008 0.000 1.122 40 N HN 0.725 nan 8.380 nan 0.000 0.561 41 R N 0.053 120.562 120.500 0.016 0.000 2.828 41 R HA 0.738 5.078 4.340 -0.001 0.000 0.264 41 R C 0.334 176.643 176.300 0.014 0.000 1.022 41 R CA -0.367 55.744 56.100 0.019 0.000 1.021 41 R CB 0.781 31.101 30.300 0.033 0.000 1.163 41 R HN 0.122 nan 8.270 nan 0.000 0.494 42 A N 1.806 124.639 122.820 0.022 0.000 2.498 42 A HA 0.178 4.497 4.320 -0.001 0.000 0.239 42 A C 0.382 177.982 177.584 0.027 0.000 1.068 42 A CA -0.202 51.851 52.037 0.027 0.000 0.766 42 A CB -0.064 18.962 19.000 0.043 0.000 1.003 42 A HN 0.566 nan 8.150 nan 0.000 0.497 43 L N 1.605 122.842 121.223 0.023 0.000 2.456 43 L HA 0.281 4.620 4.340 -0.001 0.000 0.272 43 L C 1.180 178.063 176.870 0.023 0.000 1.189 43 L CA -0.095 54.754 54.840 0.016 0.000 0.846 43 L CB 0.404 42.480 42.059 0.028 0.000 1.111 43 L HN 0.846 nan 8.230 nan 0.000 0.475 44 A N 4.984 127.809 122.820 0.008 0.000 2.483 44 A HA 0.302 4.622 4.320 -0.001 0.000 0.238 44 A C 0.031 177.629 177.584 0.023 0.000 1.070 44 A CA -0.214 51.852 52.037 0.049 0.000 0.770 44 A CB 0.163 19.222 19.000 0.099 0.000 1.008 44 A HN 0.659 nan 8.150 nan 0.000 0.497 45 R N 1.126 121.696 120.500 0.117 0.000 2.346 45 R HA 0.196 4.535 4.340 -0.001 0.000 0.311 45 R C -0.426 176.077 176.300 0.338 0.000 0.983 45 R CA -0.405 55.784 56.100 0.148 0.000 0.880 45 R CB 0.991 31.376 30.300 0.142 0.000 1.100 45 R HN 0.942 nan 8.270 nan 0.000 0.453 46 W N 1.914 123.290 121.300 0.127 0.000 2.996 46 W HA 0.279 4.939 4.660 -0.001 0.000 0.270 46 W C 0.296 176.831 176.519 0.027 0.000 1.280 46 W CA 0.065 57.470 57.345 0.100 0.000 1.549 46 W CB 0.118 29.567 29.460 -0.019 0.000 1.079 46 W HN 0.261 nan 8.180 nan 0.000 0.629 47 L N 0.209 121.546 121.223 0.190 0.000 2.393 47 L HA 0.408 4.747 4.340 -0.001 0.000 0.260 47 L C -2.245 174.634 176.870 0.014 0.000 1.002 47 L CA -2.078 52.743 54.840 -0.031 0.000 0.818 47 L CB 2.132 43.926 42.059 -0.442 0.000 1.369 47 L HN -0.516 nan 8.230 nan 0.000 0.412 48 P HA 0.125 nan 4.420 nan 0.000 0.268 48 P C -0.615 176.679 177.300 -0.010 0.000 1.205 48 P CA -0.264 62.847 63.100 0.017 0.000 0.771 48 P CB 0.649 32.357 31.700 0.014 0.000 0.858 49 A N 2.920 125.746 122.820 0.010 0.000 2.555 49 A HA 0.040 4.359 4.320 -0.001 0.000 0.233 49 A C 0.137 177.650 177.584 -0.118 0.000 1.060 49 A CA 0.295 52.288 52.037 -0.074 0.000 0.759 49 A CB -0.277 18.707 19.000 -0.027 0.000 0.995 49 A HN 0.572 nan 8.150 nan 0.000 0.506 50 E N 0.514 120.572 120.200 -0.236 0.000 2.182 50 E HA 0.476 4.825 4.350 -0.001 0.000 0.258 50 E C -1.796 174.666 176.600 -0.230 0.000 0.879 50 E CA -0.055 56.295 56.400 -0.083 0.000 0.754 50 E CB 1.327 31.071 29.700 0.074 0.000 1.162 50 E HN 0.615 nan 8.360 nan 0.000 0.419 51 Y N 0.485 120.772 120.300 -0.022 0.000 2.524 51 Y HA 0.114 4.663 4.550 -0.001 0.000 0.344 51 Y C 1.469 176.959 175.900 -0.682 0.000 1.012 51 Y CA -0.862 57.049 58.100 -0.315 0.000 1.068 51 Y CB 1.467 39.776 38.460 -0.251 0.000 1.249 51 Y HN 0.526 nan 8.280 nan 0.000 0.468 52 E N 0.657 120.279 120.200 -0.964 0.000 2.147 52 E HA -0.264 4.085 4.350 -0.001 0.000 0.199 52 E C 0.200 176.604 176.600 -0.327 0.000 1.005 52 E CA 2.095 57.929 56.400 -0.944 0.000 0.810 52 E CB 0.120 29.474 29.700 -0.576 0.000 0.736 52 E HN 0.794 nan 8.360 nan 0.000 0.460 53 D N -2.337 117.936 120.400 -0.212 0.000 2.571 53 D HA 0.142 4.781 4.640 -0.001 0.000 0.239 53 D C 0.950 177.209 176.300 -0.068 0.000 1.267 53 D CA 0.392 54.324 54.000 -0.115 0.000 0.823 53 D CB 0.274 41.000 40.800 -0.123 0.000 1.056 53 D HN 0.228 nan 8.370 nan 0.000 0.494 54 G N 0.408 109.200 108.800 -0.014 0.000 2.186 54 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.266 54 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.266 54 G C 0.659 175.590 174.900 0.052 0.000 0.982 54 G CA 1.114 46.248 45.100 0.057 0.000 0.670 54 G HN 0.467 nan 8.290 nan 0.000 0.533 55 L N -2.699 118.466 121.223 -0.097 0.000 2.666 55 L HA 0.607 4.946 4.340 -0.001 0.000 0.184 55 L C 2.253 178.604 176.870 -0.864 0.000 1.092 55 L CA 1.136 55.796 54.840 -0.301 0.000 0.857 55 L CB 0.095 41.993 42.059 -0.269 0.000 1.281 55 L HN 0.443 nan 8.230 nan 0.000 0.489 56 A N -1.306 120.858 122.820 -1.093 0.000 2.680 56 A HA 0.291 4.611 4.320 -0.001 0.000 0.183 56 A C 0.025 176.974 177.584 -1.058 0.000 1.506 56 A CA -0.057 51.050 52.037 -1.549 0.000 1.119 56 A CB 0.474 18.537 19.000 -1.561 0.000 1.424 56 A HN -0.038 nan 8.150 nan 0.000 0.540 57 V N 3.824 123.383 119.914 -0.591 0.000 2.455 57 V HA 0.312 4.431 4.120 -0.001 0.000 0.273 57 V C -2.351 173.597 176.094 -0.242 0.000 1.045 57 V CA -1.468 60.547 62.300 -0.474 0.000 0.976 57 V CB 0.876 32.418 31.823 -0.469 0.000 0.993 57 V HN 0.305 nan 8.190 nan 0.000 0.475 58 P HA 0.225 nan 4.420 nan 0.000 0.278 58 P C -0.493 176.791 177.300 -0.027 0.000 1.238 58 P CA -0.498 62.601 63.100 -0.003 0.000 0.794 58 P CB 0.451 32.131 31.700 -0.034 0.000 0.955 59 F N 1.316 121.357 119.950 0.150 0.000 2.571 59 F HA 0.305 4.831 4.527 -0.001 0.000 0.384 59 F C 1.900 177.832 175.800 0.219 0.000 1.058 59 F CA 1.873 59.968 58.000 0.158 0.000 1.200 59 F CB -0.320 38.758 39.000 0.131 0.000 1.077 59 F HN 0.689 nan 8.300 nan 0.000 0.558 60 G N 3.125 112.160 108.800 0.393 0.000 2.168 60 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.197 60 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.197 60 G C 0.714 175.834 174.900 0.367 0.000 0.997 60 G CA -0.003 45.314 45.100 0.361 0.000 0.658 60 G HN 0.752 nan 8.290 nan 0.000 0.513 61 W N 1.300 122.624 121.300 0.040 0.000 2.519 61 W HA 0.212 4.871 4.660 -0.002 0.000 0.313 61 W C 0.141 176.665 176.519 0.007 0.000 1.156 61 W CA 1.841 59.149 57.345 -0.063 0.000 1.394 61 W CB -0.081 29.235 29.460 -0.241 0.000 1.154 61 W HN 0.148 nan 8.180 nan 0.000 0.498 62 T N 2.560 117.294 114.554 0.300 0.000 2.728 62 T HA 0.110 4.459 4.350 -0.001 0.000 0.296 62 T C 0.683 175.454 174.700 0.119 0.000 0.940 62 T CA -0.227 61.980 62.100 0.178 0.000 1.013 62 T CB 1.784 70.775 68.868 0.205 0.000 0.912 62 T HN -0.049 nan 8.240 nan 0.000 0.484 63 Q N 2.274 122.112 119.800 0.063 0.000 2.096 63 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 63 Q C 2.369 178.409 176.000 0.067 0.000 0.982 63 Q CA 1.469 57.307 55.803 0.058 0.000 0.850 63 Q CB -0.141 28.611 28.738 0.023 0.000 0.901 63 Q HN 0.639 nan 8.270 nan 0.000 0.422 64 R N -0.051 120.484 120.500 0.058 0.000 2.189 64 R HA 0.064 4.403 4.340 -0.001 0.000 0.218 64 R C 0.251 176.590 176.300 0.066 0.000 1.074 64 R CA 0.631 56.763 56.100 0.052 0.000 0.991 64 R CB -0.296 30.026 30.300 0.037 0.000 0.883 64 R HN -0.138 nan 8.270 nan 0.000 0.457 65 K N 1.348 121.802 120.400 0.091 0.000 2.355 65 K HA 0.129 4.448 4.320 -0.001 0.000 0.270 65 K C -0.093 176.594 176.600 0.146 0.000 1.003 65 K CA 0.466 56.822 56.287 0.115 0.000 0.957 65 K CB 0.914 33.494 32.500 0.134 0.000 0.939 65 K HN 0.406 nan 8.250 nan 0.000 0.482 66 T N -0.689 113.951 114.554 0.144 0.000 2.938 66 T HA 0.465 4.814 4.350 -0.001 0.000 0.285 66 T C -0.500 174.322 174.700 0.204 0.000 1.028 66 T CA -1.049 61.134 62.100 0.138 0.000 1.005 66 T CB 1.239 70.130 68.868 0.038 0.000 1.157 66 T HN 0.490 nan 8.240 nan 0.000 0.550 67 R N 0.973 121.517 120.500 0.073 0.000 2.310 67 R HA 0.323 4.662 4.340 -0.001 0.000 0.316 67 R C -0.500 175.751 176.300 -0.081 0.000 1.004 67 R CA -0.354 55.628 56.100 -0.196 0.000 0.900 67 R CB -0.284 29.609 30.300 -0.679 0.000 1.152 67 R HN 0.792 nan 8.270 nan 0.000 0.513 68 N N 3.052 121.718 118.700 -0.058 0.000 2.818 68 N HA -0.176 4.563 4.740 -0.001 0.000 0.250 68 N C 0.532 175.926 175.510 -0.193 0.000 1.108 68 N CA 1.535 54.558 53.050 -0.045 0.000 0.745 68 N CB -1.239 37.271 38.487 0.037 0.000 1.104 68 N HN 1.038 nan 8.380 nan 0.000 0.557 69 G N -2.032 106.624 108.800 -0.240 0.000 2.194 69 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.236 69 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.236 69 G C -0.074 174.462 174.900 -0.606 0.000 0.987 69 G CA 0.322 45.135 45.100 -0.479 0.000 0.635 69 G HN 0.375 nan 8.290 nan 0.000 0.520 70 F N 0.547 120.505 119.950 0.013 0.000 2.546 70 F HA 0.719 5.245 4.527 -0.001 0.000 0.320 70 F C 0.901 176.714 175.800 0.021 0.000 1.076 70 F CA -1.211 56.799 58.000 0.016 0.000 0.928 70 F CB 1.251 40.261 39.000 0.016 0.000 1.189 70 F HN -0.110 nan 8.300 nan 0.000 0.465 71 R N 1.069 121.697 120.500 0.214 0.000 2.590 71 R HA 0.360 4.699 4.340 -0.001 0.000 0.274 71 R C -0.671 175.695 176.300 0.110 0.000 1.061 71 R CA -0.503 55.680 56.100 0.138 0.000 1.081 71 R CB 1.000 31.357 30.300 0.096 0.000 0.984 71 R HN 0.579 nan 8.270 nan 0.000 0.448 72 V N 2.680 122.658 119.914 0.107 0.000 2.488 72 V HA 0.310 4.429 4.120 -0.001 0.000 0.277 72 V C -1.840 174.248 176.094 -0.011 0.000 1.046 72 V CA -1.865 60.472 62.300 0.061 0.000 0.986 72 V CB 0.654 32.559 31.823 0.138 0.000 0.989 72 V HN 0.678 nan 8.190 nan 0.000 0.475 73 P HA 0.178 nan 4.420 nan 0.000 0.267 73 P C -0.103 177.133 177.300 -0.107 0.000 1.200 73 P CA -0.270 62.722 63.100 -0.180 0.000 0.772 73 P CB 0.590 32.051 31.700 -0.398 0.000 0.855 74 L N 1.635 122.813 121.223 -0.076 0.000 2.540 74 L HA -0.009 4.330 4.340 -0.001 0.000 0.276 74 L C 2.012 178.845 176.870 -0.062 0.000 1.212 74 L CA -0.223 54.578 54.840 -0.065 0.000 0.893 74 L CB -0.078 41.947 42.059 -0.058 0.000 1.138 74 L HN 0.478 nan 8.230 nan 0.000 0.491 75 A N 3.728 126.506 122.820 -0.070 0.000 1.892 75 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 75 A C 2.299 179.881 177.584 -0.004 0.000 1.188 75 A CA 1.990 54.005 52.037 -0.037 0.000 0.631 75 A CB -0.431 18.506 19.000 -0.105 0.000 0.822 75 A HN 0.878 nan 8.150 nan 0.000 0.447 76 R N 0.151 120.636 120.500 -0.024 0.000 2.159 76 R HA -0.129 4.211 4.340 -0.001 0.000 0.237 76 R C 1.950 178.278 176.300 0.046 0.000 1.131 76 R CA 2.027 58.148 56.100 0.035 0.000 0.982 76 R CB -0.483 29.867 30.300 0.083 0.000 0.868 76 R HN 0.731 nan 8.270 nan 0.000 0.453 77 E N -0.754 119.455 120.200 0.016 0.000 2.046 77 E HA -0.109 4.240 4.350 -0.001 0.000 0.190 77 E C 1.760 178.371 176.600 0.019 0.000 0.982 77 E CA 1.360 57.766 56.400 0.009 0.000 0.800 77 E CB 0.121 29.808 29.700 -0.021 0.000 0.756 77 E HN 0.197 nan 8.360 nan 0.000 0.449 78 V N 0.835 120.758 119.914 0.015 0.000 2.324 78 V HA -0.306 3.814 4.120 -0.001 0.000 0.250 78 V C 2.442 178.608 176.094 0.120 0.000 1.060 78 V CA 1.968 64.311 62.300 0.070 0.000 1.042 78 V CB -0.838 31.062 31.823 0.129 0.000 0.650 78 V HN 0.263 nan 8.190 nan 0.000 0.450 79 S N 0.595 116.369 115.700 0.124 0.000 2.365 79 S HA -0.258 4.211 4.470 -0.001 0.000 0.221 79 S C 1.944 176.608 174.600 0.107 0.000 1.037 79 S CA 2.153 60.438 58.200 0.141 0.000 1.060 79 S CB -0.523 62.748 63.200 0.118 0.000 0.974 79 S HN 0.696 nan 8.310 nan 0.000 0.427 80 N N 1.149 119.892 118.700 0.072 0.000 2.205 80 N HA -0.052 4.688 4.740 -0.001 0.000 0.186 80 N C 1.590 177.132 175.510 0.053 0.000 1.015 80 N CA 1.070 54.150 53.050 0.050 0.000 0.862 80 N CB -0.263 38.241 38.487 0.027 0.000 0.986 80 N HN 0.551 nan 8.380 nan 0.000 0.429 81 K N -0.465 119.967 120.400 0.054 0.000 2.284 81 K HA 0.183 4.502 4.320 -0.001 0.000 0.198 81 K C 1.089 177.727 176.600 0.063 0.000 1.048 81 K CA 0.446 56.762 56.287 0.048 0.000 0.987 81 K CB 0.733 33.251 32.500 0.030 0.000 0.800 81 K HN 0.107 nan 8.250 nan 0.000 0.486 82 I N -0.587 120.033 120.570 0.085 0.000 4.033 82 I HA -0.042 4.128 4.170 -0.001 0.000 0.296 82 I C 1.912 178.094 176.117 0.110 0.000 1.210 82 I CA 0.581 61.933 61.300 0.086 0.000 1.341 82 I CB -0.241 37.812 38.000 0.089 0.000 1.369 82 I HN -0.219 nan 8.210 nan 0.000 0.453 83 V N 1.378 121.379 119.914 0.145 0.000 2.788 83 V HA 0.169 4.289 4.120 -0.001 0.000 0.251 83 V C 1.459 177.687 176.094 0.224 0.000 1.068 83 V CA 0.916 63.330 62.300 0.191 0.000 1.090 83 V CB -0.692 31.288 31.823 0.262 0.000 0.710 83 V HN 0.371 nan 8.190 nan 0.000 0.467 84 G N -0.487 108.420 108.800 0.179 0.000 2.537 84 G HA2 0.506 4.465 3.960 -0.001 0.000 0.273 84 G HA3 0.506 4.465 3.960 -0.001 0.000 0.273 84 G C -0.948 174.106 174.900 0.258 0.000 1.189 84 G CA -0.029 45.164 45.100 0.155 0.000 0.881 84 G HN 0.498 nan 8.290 nan 0.000 0.535 85 Y N -1.949 118.386 120.300 0.058 0.000 2.677 85 Y HA 0.549 5.098 4.550 -0.001 0.000 0.334 85 Y C -0.348 175.579 175.900 0.046 0.000 1.196 85 Y CA -1.206 56.923 58.100 0.048 0.000 1.059 85 Y CB 0.888 39.379 38.460 0.051 0.000 1.315 85 Y HN 0.282 nan 8.280 nan 0.000 0.455 86 L N -0.169 121.120 121.223 0.111 0.000 2.526 86 L HA 0.245 4.585 4.340 -0.001 0.000 0.210 86 L C 0.123 177.075 176.870 0.136 0.000 1.048 86 L CA 0.194 55.047 54.840 0.020 0.000 0.852 86 L CB 0.246 42.326 42.059 0.035 0.000 1.128 86 L HN 0.646 nan 8.230 nan 0.000 0.482 87 D N 1.041 121.598 120.400 0.261 0.000 2.398 87 D HA -0.017 4.622 4.640 -0.001 0.000 0.250 87 D C 0.887 177.376 176.300 0.315 0.000 1.287 87 D CA 0.277 54.409 54.000 0.220 0.000 0.992 87 D CB 1.020 41.906 40.800 0.142 0.000 1.071 87 D HN 0.012 nan 8.370 nan 0.000 0.514 88 E N 2.172 122.535 120.200 0.272 0.000 2.478 88 E HA -0.081 4.269 4.350 -0.001 0.000 0.198 88 E C 0.305 177.009 176.600 0.174 0.000 1.046 88 E CA 0.157 56.736 56.400 0.298 0.000 0.870 88 E CB 0.049 29.870 29.700 0.202 0.000 0.818 88 E HN 0.566 nan 8.360 nan 0.000 0.527 89 E N -0.253 120.022 120.200 0.125 0.000 2.344 89 E HA 0.122 4.471 4.350 -0.001 0.000 0.270 89 E C 0.209 176.846 176.600 0.061 0.000 1.021 89 E CA 0.633 57.083 56.400 0.083 0.000 0.887 89 E CB 0.271 30.011 29.700 0.067 0.000 0.997 89 E HN 0.320 nan 8.360 nan 0.000 0.429 90 G N 3.119 111.950 108.800 0.052 0.000 2.198 90 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.257 90 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.257 90 G C 0.321 175.233 174.900 0.020 0.000 1.042 90 G CA 0.223 45.343 45.100 0.034 0.000 0.791 90 G HN 0.541 nan 8.290 nan 0.000 0.502 91 V N -0.049 119.886 119.914 0.035 0.000 3.477 91 V HA 0.426 4.545 4.120 -0.001 0.000 0.297 91 V C 1.289 177.415 176.094 0.054 0.000 1.433 91 V CA 0.096 62.407 62.300 0.018 0.000 1.052 91 V CB -0.001 31.823 31.823 0.001 0.000 0.895 91 V HN 0.402 nan 8.190 nan 0.000 0.438 92 L N 0.828 122.091 121.223 0.068 0.000 2.436 92 L HA 0.372 4.711 4.340 -0.001 0.000 0.265 92 L C 0.259 177.172 176.870 0.072 0.000 1.168 92 L CA -0.106 54.784 54.840 0.083 0.000 0.815 92 L CB 0.316 42.428 42.059 0.087 0.000 1.109 92 L HN 0.085 nan 8.230 nan 0.000 0.462 93 D N 1.643 122.095 120.400 0.086 0.000 2.336 93 D HA -0.009 4.630 4.640 -0.001 0.000 0.249 93 D C 0.760 177.089 176.300 0.049 0.000 1.213 93 D CA -0.144 53.895 54.000 0.065 0.000 0.870 93 D CB 1.260 42.109 40.800 0.081 0.000 1.076 93 D HN 0.394 nan 8.370 nan 0.000 0.483 94 Q N 2.284 122.104 119.800 0.032 0.000 2.443 94 Q HA -0.135 4.205 4.340 -0.001 0.000 0.213 94 Q C 0.613 176.626 176.000 0.021 0.000 0.982 94 Q CA 0.867 56.688 55.803 0.030 0.000 0.894 94 Q CB 0.033 28.785 28.738 0.023 0.000 0.947 94 Q HN 0.402 nan 8.270 nan 0.000 0.480 95 N N -0.133 118.566 118.700 -0.002 0.000 2.390 95 N HA 0.055 4.794 4.740 -0.001 0.000 0.259 95 N C -1.236 174.234 175.510 -0.067 0.000 1.395 95 N CA -0.034 53.001 53.050 -0.025 0.000 0.852 95 N CB 0.628 39.090 38.487 -0.043 0.000 1.371 95 N HN -0.150 nan 8.380 nan 0.000 0.491 96 R N 0.523 121.001 120.500 -0.037 0.000 2.538 96 R HA 0.347 4.687 4.340 -0.001 0.000 0.292 96 R C -0.195 176.173 176.300 0.113 0.000 1.008 96 R CA -0.470 55.605 56.100 -0.041 0.000 0.896 96 R CB 1.314 31.509 30.300 -0.175 0.000 1.187 96 R HN 0.261 nan 8.270 nan 0.000 0.440 97 S N 1.836 117.632 115.700 0.160 0.000 2.624 97 S HA 0.198 4.667 4.470 -0.001 0.000 0.263 97 S C 1.416 176.154 174.600 0.230 0.000 1.287 97 S CA -0.698 57.604 58.200 0.169 0.000 0.990 97 S CB 0.761 64.032 63.200 0.118 0.000 0.950 97 S HN 0.677 nan 8.310 nan 0.000 0.561 98 L N 0.373 121.702 121.223 0.178 0.000 2.191 98 L HA -0.055 4.284 4.340 -0.001 0.000 0.212 98 L C 2.261 179.226 176.870 0.158 0.000 1.103 98 L CA 0.884 55.826 54.840 0.170 0.000 0.769 98 L CB -0.497 41.637 42.059 0.126 0.000 0.908 98 L HN 0.781 nan 8.230 nan 0.000 0.438 99 L N -0.557 120.729 121.223 0.105 0.000 2.079 99 L HA -0.268 4.071 4.340 -0.001 0.000 0.210 99 L C 2.236 179.253 176.870 0.246 0.000 1.081 99 L CA 1.761 56.603 54.840 0.004 0.000 0.752 99 L CB -0.874 40.987 42.059 -0.330 0.000 0.896 99 L HN 0.217 nan 8.230 nan 0.000 0.433 100 F N -0.473 119.669 119.950 0.320 0.000 2.087 100 F HA -0.333 4.193 4.527 -0.001 0.000 0.299 100 F C 2.467 178.528 175.800 0.435 0.000 1.100 100 F CA 2.404 60.739 58.000 0.557 0.000 1.226 100 F CB -0.392 38.865 39.000 0.428 0.000 0.983 100 F HN 0.219 nan 8.300 nan 0.000 0.479 101 M N 0.016 119.729 119.600 0.187 0.000 2.099 101 M HA -0.207 4.273 4.480 -0.001 0.000 0.262 101 M C 2.227 178.491 176.300 -0.060 0.000 1.067 101 M CA 1.899 57.201 55.300 0.003 0.000 1.124 101 M CB -0.829 31.828 32.600 0.096 0.000 1.353 101 M HN 0.331 nan 8.290 nan 0.000 0.410 102 Q N -0.197 119.614 119.800 0.018 0.000 2.119 102 Q HA -0.201 4.138 4.340 -0.001 0.000 0.201 102 Q C 1.824 177.789 176.000 -0.059 0.000 0.972 102 Q CA 1.940 57.729 55.803 -0.025 0.000 0.847 102 Q CB -0.776 27.974 28.738 0.021 0.000 0.903 102 Q HN 0.697 nan 8.270 nan 0.000 0.433 103 W N -0.098 121.072 121.300 -0.216 0.000 2.388 103 W HA -0.052 4.607 4.660 -0.001 0.000 0.294 103 W C 1.585 177.814 176.519 -0.482 0.000 1.212 103 W CA 1.320 58.494 57.345 -0.285 0.000 1.271 103 W CB -0.306 29.073 29.460 -0.134 0.000 1.126 103 W HN 0.321 nan 8.180 nan 0.000 0.535 104 G N 0.414 108.898 108.800 -0.526 0.000 2.440 104 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.218 104 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.218 104 G C 1.401 175.891 174.900 -0.682 0.000 1.154 104 G CA 1.110 45.855 45.100 -0.593 0.000 0.767 104 G HN 0.393 nan 8.290 nan 0.000 0.552 105 Q N -0.463 118.986 119.800 -0.585 0.000 2.224 105 Q HA 0.026 4.366 4.340 -0.001 0.000 0.203 105 Q C 2.448 178.015 176.000 -0.723 0.000 0.970 105 Q CA 0.623 56.015 55.803 -0.685 0.000 0.865 105 Q CB -0.126 28.288 28.738 -0.540 0.000 0.922 105 Q HN 0.589 nan 8.270 nan 0.000 0.445 106 I N -0.891 119.322 120.570 -0.595 0.000 2.193 106 I HA -0.240 3.929 4.170 -0.001 0.000 0.240 106 I C 2.105 177.955 176.117 -0.445 0.000 1.084 106 I CA 0.573 61.545 61.300 -0.547 0.000 1.365 106 I CB -0.058 37.505 38.000 -0.727 0.000 1.064 106 I HN 0.035 nan 8.210 nan 0.000 0.410 107 V N 0.817 120.424 119.914 -0.512 0.000 2.287 107 V HA -0.375 3.745 4.120 -0.001 0.000 0.248 107 V C 2.158 178.342 176.094 0.151 0.000 1.053 107 V CA 2.454 64.688 62.300 -0.110 0.000 1.027 107 V CB -0.683 31.193 31.823 0.088 0.000 0.646 107 V HN 0.501 nan 8.190 nan 0.000 0.447 108 D N -0.725 119.666 120.400 -0.015 0.000 2.106 108 D HA -0.239 4.400 4.640 -0.001 0.000 0.191 108 D C 2.057 178.438 176.300 0.136 0.000 0.997 108 D CA 2.010 55.997 54.000 -0.023 0.000 0.834 108 D CB -0.233 40.193 40.800 -0.624 0.000 0.956 108 D HN 0.670 nan 8.370 nan 0.000 0.448 109 H N -1.138 117.868 119.070 -0.107 0.000 2.495 109 H HA -0.070 4.485 4.556 -0.001 0.000 0.287 109 H C 1.384 176.703 175.328 -0.015 0.000 1.033 109 H CA 0.733 56.729 56.048 -0.087 0.000 1.307 109 H CB 0.282 29.970 29.762 -0.123 0.000 1.401 109 H HN 0.226 nan 8.280 nan 0.000 0.555 110 D N 0.779 121.260 120.400 0.135 0.000 2.183 110 D HA -0.091 4.549 4.640 -0.001 0.000 0.203 110 D C 2.025 178.433 176.300 0.181 0.000 0.969 110 D CA 0.628 54.709 54.000 0.135 0.000 0.842 110 D CB 0.281 41.151 40.800 0.117 0.000 0.957 110 D HN 0.365 nan 8.370 nan 0.000 0.484 111 L N 0.032 121.391 121.223 0.227 0.000 2.202 111 L HA 0.105 4.444 4.340 -0.001 0.000 0.205 111 L C 0.623 177.606 176.870 0.188 0.000 1.083 111 L CA 0.550 55.525 54.840 0.224 0.000 0.790 111 L CB 0.040 42.288 42.059 0.315 0.000 0.942 111 L HN 0.043 nan 8.230 nan 0.000 0.452 112 D N -1.924 118.604 120.400 0.213 0.000 2.655 112 D HA 0.321 4.960 4.640 -0.001 0.000 0.229 112 D C -1.430 175.017 176.300 0.245 0.000 1.229 112 D CA -0.403 53.712 54.000 0.191 0.000 0.807 112 D CB 3.025 43.934 40.800 0.182 0.000 1.514 112 D HN -0.199 nan 8.370 nan 0.000 0.444 113 F N 0.845 120.796 119.950 0.002 0.000 3.306 113 F HA 0.492 5.019 4.527 -0.001 0.000 0.370 113 F C -1.756 174.037 175.800 -0.012 0.000 1.251 113 F CA -0.850 57.130 58.000 -0.034 0.000 1.276 113 F CB 1.212 40.174 39.000 -0.063 0.000 1.682 113 F HN 0.629 nan 8.300 nan 0.000 0.697 114 A N 7.518 130.215 122.820 -0.205 0.000 2.316 114 A HA 0.747 5.066 4.320 -0.001 0.000 0.311 114 A C -2.615 174.610 177.584 -0.599 0.000 1.339 114 A CA -1.266 50.600 52.037 -0.284 0.000 0.960 114 A CB -0.351 18.668 19.000 0.032 0.000 1.152 114 A HN 0.378 nan 8.150 nan 0.000 0.547 115 P HA 0.363 nan 4.420 nan 0.000 0.279 115 P C -0.270 176.839 177.300 -0.318 0.000 1.252 115 P CA -0.459 62.188 63.100 -0.756 0.000 0.811 115 P CB 0.774 32.075 31.700 -0.666 0.000 1.035 116 E N -0.524 119.544 120.200 -0.220 0.000 2.345 116 E HA 0.257 4.606 4.350 -0.001 0.000 0.259 116 E C -0.044 176.487 176.600 -0.115 0.000 1.117 116 E CA -0.524 55.801 56.400 -0.125 0.000 0.913 116 E CB 0.279 29.907 29.700 -0.120 0.000 1.057 116 E HN 0.444 nan 8.360 nan 0.000 0.432 117 T N -0.897 113.632 114.554 -0.043 0.000 2.834 117 T HA 0.068 4.417 4.350 -0.001 0.000 0.298 117 T C 0.544 175.173 174.700 -0.118 0.000 0.966 117 T CA -0.430 61.643 62.100 -0.045 0.000 1.141 117 T CB 1.413 70.328 68.868 0.078 0.000 0.905 117 T HN 0.518 nan 8.240 nan 0.000 0.535 118 E N 1.918 122.040 120.200 -0.129 0.000 2.226 118 E HA 0.155 4.504 4.350 -0.001 0.000 0.238 118 E C 0.249 176.784 176.600 -0.108 0.000 0.859 118 E CA -0.293 56.017 56.400 -0.150 0.000 1.114 118 E CB -0.072 29.550 29.700 -0.130 0.000 1.184 118 E HN 0.596 nan 8.360 nan 0.000 0.517 119 L N 0.099 121.275 121.223 -0.078 0.000 3.936 119 L HA -0.228 4.112 4.340 -0.001 0.000 0.453 119 L C -0.023 176.819 176.870 -0.047 0.000 1.158 119 L CA 1.119 55.932 54.840 -0.045 0.000 0.831 119 L CB -1.760 40.292 42.059 -0.011 0.000 1.746 119 L HN 0.351 nan 8.230 nan 0.000 0.912 120 G N -0.972 107.779 108.800 -0.082 0.000 2.824 120 G HA2 0.547 4.506 3.960 -0.001 0.000 0.288 120 G HA3 0.547 4.506 3.960 -0.001 0.000 0.288 120 G C -0.781 174.060 174.900 -0.099 0.000 1.554 120 G CA 0.218 45.261 45.100 -0.095 0.000 1.107 120 G HN 0.071 nan 8.290 nan 0.000 0.566 121 S N 1.288 116.949 115.700 -0.065 0.000 2.357 121 S HA 0.511 4.980 4.470 -0.001 0.000 0.209 121 S C 0.122 174.700 174.600 -0.037 0.000 0.981 121 S CA 0.319 58.483 58.200 -0.061 0.000 1.106 121 S CB 0.338 63.503 63.200 -0.058 0.000 1.266 121 S HN 1.726 nan 8.310 nan 0.000 0.410 122 S N 2.004 117.682 115.700 -0.037 0.000 4.138 122 S HA -0.139 4.330 4.470 -0.001 0.000 0.407 122 S C -0.785 173.821 174.600 0.010 0.000 0.919 122 S CA 0.900 59.092 58.200 -0.014 0.000 1.144 122 S CB -0.811 62.390 63.200 0.002 0.000 0.811 122 S HN 0.891 nan 8.310 nan 0.000 0.533 123 E N 0.136 120.327 120.200 -0.015 0.000 2.224 123 E HA 0.620 4.969 4.350 -0.001 0.000 0.265 123 E C 0.079 176.672 176.600 -0.012 0.000 0.878 123 E CA -0.668 55.742 56.400 0.016 0.000 0.759 123 E CB 0.729 30.427 29.700 -0.004 0.000 1.164 123 E HN 0.457 nan 8.360 nan 0.000 0.414 124 H N 1.703 120.792 119.070 0.031 0.000 2.539 124 H HA 0.152 4.707 4.556 -0.001 0.000 0.267 124 H C 1.448 176.816 175.328 0.066 0.000 0.982 124 H CA 0.841 56.916 56.048 0.045 0.000 1.146 124 H CB 0.682 30.459 29.762 0.025 0.000 1.382 124 H HN 0.403 nan 8.280 nan 0.000 0.577 125 S N 0.050 115.847 115.700 0.162 0.000 2.436 125 S HA -0.072 4.397 4.470 -0.001 0.000 0.228 125 S C 1.816 176.553 174.600 0.228 0.000 1.014 125 S CA 0.685 58.988 58.200 0.172 0.000 0.950 125 S CB 0.113 63.410 63.200 0.162 0.000 0.784 125 S HN 0.357 nan 8.310 nan 0.000 0.504 126 K N 0.732 121.242 120.400 0.182 0.000 2.147 126 K HA -0.021 4.298 4.320 -0.001 0.000 0.205 126 K C 1.942 178.690 176.600 0.246 0.000 1.049 126 K CA 1.220 57.649 56.287 0.237 0.000 0.936 126 K CB -0.326 32.204 32.500 0.050 0.000 0.722 126 K HN 0.302 nan 8.250 nan 0.000 0.446 127 V N 1.468 121.481 119.914 0.165 0.000 2.346 127 V HA -0.198 3.921 4.120 -0.001 0.000 0.244 127 V C 2.489 178.744 176.094 0.267 0.000 1.037 127 V CA 1.432 63.840 62.300 0.180 0.000 1.029 127 V CB -0.495 31.407 31.823 0.131 0.000 0.663 127 V HN 0.348 nan 8.190 nan 0.000 0.454 128 Q N -1.156 118.780 119.800 0.227 0.000 2.248 128 Q HA -0.283 4.057 4.340 -0.001 0.000 0.208 128 Q C 2.309 178.426 176.000 0.195 0.000 0.984 128 Q CA 2.187 58.106 55.803 0.192 0.000 0.875 128 Q CB -0.226 28.571 28.738 0.098 0.000 0.910 128 Q HN 0.716 nan 8.270 nan 0.000 0.433 129 c N -0.135 118.570 118.600 0.175 0.000 2.564 129 c HA 0.021 4.590 4.570 -0.001 0.000 0.281 129 c C 2.460 176.584 174.090 0.056 0.000 1.314 129 c CA 0.228 56.597 56.329 0.066 0.000 1.706 129 c CB -0.494 41.997 42.510 -0.032 0.000 2.109 129 c HN 0.529 nan 8.230 nan 0.000 0.502 130 E N 0.634 120.917 120.200 0.138 0.000 2.023 130 E HA -0.164 4.185 4.350 -0.001 0.000 0.196 130 E C 2.142 178.752 176.600 0.017 0.000 1.003 130 E CA 1.444 57.897 56.400 0.089 0.000 0.809 130 E CB -0.279 29.517 29.700 0.161 0.000 0.755 130 E HN 0.684 nan 8.360 nan 0.000 0.449 131 E N -0.683 119.545 120.200 0.046 0.000 2.102 131 E HA -0.083 4.266 4.350 -0.001 0.000 0.190 131 E C 1.807 178.220 176.600 -0.312 0.000 0.971 131 E CA 0.718 57.029 56.400 -0.149 0.000 0.821 131 E CB -0.091 29.488 29.700 -0.202 0.000 0.777 131 E HN 0.376 nan 8.360 nan 0.000 0.460 132 Y N -0.514 119.784 120.300 -0.003 0.000 2.458 132 Y HA 0.155 4.704 4.550 -0.001 0.000 0.254 132 Y C 0.967 176.840 175.900 -0.045 0.000 1.120 132 Y CA -0.413 57.678 58.100 -0.015 0.000 1.282 132 Y CB -0.003 38.457 38.460 0.000 0.000 1.109 132 Y HN -0.011 nan 8.280 nan 0.000 0.526 133 c N 0.778 119.409 118.600 0.051 0.000 4.274 133 c HA -0.157 4.412 4.570 -0.001 0.000 0.297 133 c C 0.528 174.598 174.090 -0.034 0.000 1.446 133 c CA -0.812 55.494 56.329 -0.039 0.000 2.016 133 c CB -3.267 39.182 42.510 -0.103 0.000 1.273 133 c HN 0.118 nan 8.230 nan 0.000 0.782 134 V N 1.697 121.623 119.914 0.020 0.000 2.397 134 V HA 0.120 4.239 4.120 -0.001 0.000 0.262 134 V C 0.779 176.834 176.094 -0.065 0.000 1.047 134 V CA 0.701 62.991 62.300 -0.016 0.000 1.003 134 V CB 1.001 32.830 31.823 0.010 0.000 1.037 134 V HN 0.663 nan 8.190 nan 0.000 0.480 135 Q N 3.789 123.499 119.800 -0.151 0.000 2.286 135 Q HA 0.337 4.676 4.340 -0.001 0.000 0.290 135 Q C 0.724 176.619 176.000 -0.174 0.000 1.049 135 Q CA 0.913 56.552 55.803 -0.274 0.000 0.923 135 Q CB 0.730 29.144 28.738 -0.541 0.000 1.183 135 Q HN 0.890 nan 8.270 nan 0.000 0.383 136 G N 3.265 112.058 108.800 -0.013 0.000 2.825 136 G HA2 0.074 4.033 3.960 -0.001 0.000 0.191 136 G HA3 0.074 4.033 3.960 -0.001 0.000 0.191 136 G C -0.166 174.952 174.900 0.364 0.000 1.708 136 G CA 0.332 45.527 45.100 0.158 0.000 0.813 136 G HN 0.670 nan 8.290 nan 0.000 0.799 137 D N -0.332 120.261 120.400 0.322 0.000 3.094 137 D HA 0.111 4.750 4.640 -0.001 0.000 0.267 137 D C 1.953 178.474 176.300 0.369 0.000 1.542 137 D CA 0.161 54.342 54.000 0.302 0.000 1.157 137 D CB 0.442 41.365 40.800 0.204 0.000 1.098 137 D HN 0.120 nan 8.370 nan 0.000 0.340 138 E N 0.594 121.004 120.200 0.349 0.000 2.299 138 E HA -0.002 4.347 4.350 -0.001 0.000 0.193 138 E C 0.805 177.651 176.600 0.411 0.000 0.998 138 E CA -0.028 56.611 56.400 0.397 0.000 0.851 138 E CB -0.200 29.746 29.700 0.409 0.000 0.795 138 E HN 0.109 nan 8.360 nan 0.000 0.492 139 c N 1.944 120.725 118.600 0.301 0.000 2.566 139 c HA 0.275 4.844 4.570 -0.001 0.000 0.393 139 c C -0.371 173.860 174.090 0.235 0.000 1.309 139 c CA -0.490 55.866 56.329 0.044 0.000 1.801 139 c CB -1.451 41.027 42.510 -0.053 0.000 2.493 139 c HN 0.170 nan 8.230 nan 0.000 0.575 140 F N 9.529 129.513 119.950 0.057 0.000 2.824 140 F HA 0.508 5.035 4.527 -0.001 0.000 0.375 140 F C -2.641 173.157 175.800 -0.004 0.000 1.190 140 F CA -3.184 54.869 58.000 0.088 0.000 1.180 140 F CB 0.817 40.056 39.000 0.398 0.000 1.477 140 F HN 0.441 nan 8.300 nan 0.000 0.542 141 P HA 0.295 nan 4.420 nan 0.000 0.275 141 P C -0.226 176.792 177.300 -0.470 0.000 1.228 141 P CA -0.007 62.921 63.100 -0.287 0.000 0.786 141 P CB 1.175 32.730 31.700 -0.241 0.000 0.927 142 I N 3.154 123.451 120.570 -0.455 0.000 2.269 142 I HA 0.159 4.328 4.170 -0.001 0.000 0.293 142 I C 0.668 176.464 176.117 -0.534 0.000 1.106 142 I CA -0.399 60.607 61.300 -0.490 0.000 1.248 142 I CB 0.009 37.766 38.000 -0.404 0.000 1.444 142 I HN 0.112 nan 8.210 nan 0.000 0.497 143 M N 5.372 124.713 119.600 -0.430 0.000 2.240 143 M HA 0.309 4.788 4.480 -0.001 0.000 0.333 143 M C -0.229 175.848 176.300 -0.372 0.000 1.110 143 M CA 0.194 55.245 55.300 -0.415 0.000 1.173 143 M CB 0.031 32.495 32.600 -0.226 0.000 1.458 143 M HN 0.236 nan 8.290 nan 0.000 0.458 144 F N 2.877 122.764 119.950 -0.105 0.000 2.385 144 F HA 0.381 4.908 4.527 -0.001 0.000 0.336 144 F C -1.399 174.358 175.800 -0.072 0.000 1.100 144 F CA -1.650 56.296 58.000 -0.090 0.000 1.116 144 F CB 0.751 39.697 39.000 -0.090 0.000 1.166 144 F HN 0.386 nan 8.300 nan 0.000 0.511 145 P HA 0.081 nan 4.420 nan 0.000 0.278 145 P C -0.794 176.534 177.300 0.046 0.000 1.266 145 P CA -0.687 62.448 63.100 0.059 0.000 0.807 145 P CB 0.737 32.457 31.700 0.034 0.000 1.094 146 K N 1.142 121.553 120.400 0.019 0.000 2.586 146 K HA -0.137 4.182 4.320 -0.001 0.000 0.280 146 K C 0.593 177.188 176.600 -0.008 0.000 0.972 146 K CA 1.064 57.354 56.287 0.004 0.000 1.040 146 K CB -0.763 31.737 32.500 -0.001 0.000 0.870 146 K HN 0.591 nan 8.250 nan 0.000 0.497 147 N N 0.612 119.300 118.700 -0.021 0.000 2.753 147 N HA -0.221 4.518 4.740 -0.001 0.000 0.251 147 N C -0.656 174.819 175.510 -0.059 0.000 1.097 147 N CA 0.722 53.751 53.050 -0.035 0.000 0.786 147 N CB -0.459 38.013 38.487 -0.025 0.000 1.137 147 N HN 0.578 nan 8.380 nan 0.000 0.566 148 D N 0.275 120.627 120.400 -0.080 0.000 2.317 148 D HA 0.094 4.733 4.640 -0.001 0.000 0.252 148 D C -1.408 174.761 176.300 -0.219 0.000 1.174 148 D CA -1.882 52.028 54.000 -0.150 0.000 0.866 148 D CB 1.106 41.791 40.800 -0.191 0.000 1.127 148 D HN 0.030 nan 8.370 nan 0.000 0.467 149 P HA -0.122 nan 4.420 nan 0.000 0.220 149 P C 0.871 178.013 177.300 -0.263 0.000 1.144 149 P CA 1.078 64.070 63.100 -0.181 0.000 0.800 149 P CB 0.319 31.935 31.700 -0.141 0.000 0.772 150 K N -1.001 119.132 120.400 -0.445 0.000 2.365 150 K HA 0.012 4.331 4.320 -0.001 0.000 0.199 150 K C 1.873 178.123 176.600 -0.583 0.000 1.045 150 K CA 0.537 56.447 56.287 -0.627 0.000 0.962 150 K CB -0.440 31.432 32.500 -1.048 0.000 0.759 150 K HN 0.188 nan 8.250 nan 0.000 0.469 151 L N 0.913 121.864 121.223 -0.454 0.000 2.046 151 L HA -0.229 4.110 4.340 -0.001 0.000 0.208 151 L C 2.057 178.856 176.870 -0.119 0.000 1.077 151 L CA 1.512 56.239 54.840 -0.188 0.000 0.747 151 L CB -0.230 41.772 42.059 -0.095 0.000 0.896 151 L HN 0.066 nan 8.230 nan 0.000 0.432 152 K N -1.591 118.732 120.400 -0.127 0.000 2.209 152 K HA -0.131 4.188 4.320 -0.001 0.000 0.204 152 K C 1.874 178.424 176.600 -0.083 0.000 1.048 152 K CA 1.533 57.768 56.287 -0.087 0.000 0.940 152 K CB -0.027 32.423 32.500 -0.083 0.000 0.729 152 K HN 0.148 nan 8.250 nan 0.000 0.451 153 T N -1.431 113.055 114.554 -0.113 0.000 2.958 153 T HA 0.141 4.490 4.350 -0.001 0.000 0.256 153 T C 1.135 175.788 174.700 -0.078 0.000 0.983 153 T CA 0.063 62.110 62.100 -0.089 0.000 0.924 153 T CB 0.407 69.219 68.868 -0.094 0.000 1.136 153 T HN 0.053 nan 8.240 nan 0.000 0.506 154 Q N -0.736 119.008 119.800 -0.094 0.000 2.254 154 Q HA 0.443 4.782 4.340 -0.001 0.000 0.259 154 Q C 0.822 176.837 176.000 0.025 0.000 0.815 154 Q CA 0.277 56.052 55.803 -0.045 0.000 0.961 154 Q CB 1.917 30.614 28.738 -0.069 0.000 1.140 154 Q HN 0.518 nan 8.270 nan 0.000 0.502 155 G N 0.824 109.659 108.800 0.059 0.000 2.265 155 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.246 155 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.246 155 G C -0.727 174.287 174.900 0.191 0.000 1.299 155 G CA -0.475 44.668 45.100 0.071 0.000 1.117 155 G HN -0.026 nan 8.290 nan 0.000 0.485 156 K N -0.381 120.073 120.400 0.091 0.000 2.358 156 K HA 0.418 4.738 4.320 -0.001 0.000 0.197 156 K C 0.417 176.891 176.600 -0.210 0.000 1.025 156 K CA 0.853 57.179 56.287 0.065 0.000 1.104 156 K CB 0.275 32.764 32.500 -0.018 0.000 0.855 156 K HN 1.070 nan 8.250 nan 0.000 0.531 157 c N -2.299 116.031 118.600 -0.450 0.000 3.259 157 c HA 0.539 5.108 4.570 -0.001 0.000 0.344 157 c C -1.380 172.253 174.090 -0.761 0.000 1.401 157 c CA -1.377 54.415 56.329 -0.895 0.000 1.219 157 c CB 0.745 42.964 42.510 -0.484 0.000 1.521 157 c HN 0.015 nan 8.230 nan 0.000 0.455 158 M N 3.297 122.473 119.600 -0.708 0.000 2.205 158 M HA 0.469 4.948 4.480 -0.001 0.000 0.344 158 M C -2.298 173.892 176.300 -0.182 0.000 1.085 158 M CA -1.500 53.549 55.300 -0.419 0.000 1.001 158 M CB 1.987 34.390 32.600 -0.329 0.000 1.626 158 M HN 0.593 nan 8.290 nan 0.000 0.442 159 P HA 0.130 nan 4.420 nan 0.000 0.269 159 P C -1.252 176.114 177.300 0.110 0.000 1.209 159 P CA 0.169 63.233 63.100 -0.059 0.000 0.776 159 P CB 0.533 32.221 31.700 -0.021 0.000 0.876 160 F N 2.614 122.390 119.950 -0.291 0.000 2.639 160 F HA 0.471 4.997 4.527 -0.002 0.000 0.326 160 F C -2.050 173.581 175.800 -0.282 0.000 1.150 160 F CA -0.893 57.024 58.000 -0.139 0.000 1.057 160 F CB 0.862 39.776 39.000 -0.143 0.000 1.300 160 F HN 0.054 nan 8.300 nan 0.000 0.486 161 F N 4.811 124.586 119.950 -0.290 0.000 2.480 161 F HA 0.621 5.147 4.527 -0.002 0.000 0.329 161 F C 0.518 176.209 175.800 -0.180 0.000 1.091 161 F CA -0.825 57.129 58.000 -0.078 0.000 0.972 161 F CB 1.545 40.514 39.000 -0.053 0.000 1.150 161 F HN 0.287 nan 8.300 nan 0.000 0.467 162 R N 1.518 122.212 120.500 0.324 0.000 2.590 162 R HA 0.460 4.799 4.340 -0.001 0.000 0.274 162 R C 0.014 176.448 176.300 0.224 0.000 1.061 162 R CA -0.412 55.903 56.100 0.357 0.000 1.081 162 R CB 0.489 31.025 30.300 0.393 0.000 0.984 162 R HN 0.764 nan 8.270 nan 0.000 0.448 163 A N 2.070 125.023 122.820 0.221 0.000 2.425 163 A HA 0.334 4.653 4.320 -0.001 0.000 0.242 163 A C 0.660 178.324 177.584 0.134 0.000 1.077 163 A CA 0.100 52.214 52.037 0.128 0.000 0.781 163 A CB 0.293 19.408 19.000 0.193 0.000 1.020 163 A HN 0.793 nan 8.150 nan 0.000 0.494 164 G N -0.356 108.458 108.800 0.023 0.000 2.569 164 G HA2 0.503 4.462 3.960 -0.001 0.000 0.249 164 G HA3 0.503 4.462 3.960 -0.001 0.000 0.249 164 G C -0.302 174.629 174.900 0.052 0.000 1.216 164 G CA -0.059 45.027 45.100 -0.023 0.000 0.845 164 G HN 0.978 nan 8.290 nan 0.000 0.568 165 F N -0.986 118.911 119.950 -0.089 0.000 2.679 165 F HA 0.674 5.200 4.527 -0.002 0.000 0.341 165 F C 0.921 176.678 175.800 -0.070 0.000 1.095 165 F CA -0.955 56.990 58.000 -0.091 0.000 1.004 165 F CB 0.255 39.188 39.000 -0.112 0.000 1.388 165 F HN 0.393 nan 8.300 nan 0.000 0.505 166 V N -1.032 118.947 119.914 0.108 0.000 2.251 166 V HA -0.171 3.948 4.120 -0.001 0.000 0.233 166 V C 1.975 178.053 176.094 -0.027 0.000 1.041 166 V CA 1.385 63.693 62.300 0.013 0.000 1.000 166 V CB -1.553 30.296 31.823 0.044 0.000 0.643 166 V HN 1.037 nan 8.190 nan 0.000 0.460 167 c N 1.379 120.006 118.600 0.045 0.000 2.359 167 c HA -0.044 4.525 4.570 -0.001 0.000 0.279 167 c C 0.334 174.406 174.090 -0.031 0.000 1.191 167 c CA 2.165 58.505 56.329 0.018 0.000 1.764 167 c CB -2.420 40.123 42.510 0.054 0.000 2.026 167 c HN 0.700 nan 8.230 nan 0.000 0.442 168 P HA 0.302 nan 4.420 nan 0.000 0.300 168 P C 0.350 177.450 177.300 -0.333 0.000 1.336 168 P CA 1.162 64.195 63.100 -0.112 0.000 0.824 168 P CB 0.675 32.362 31.700 -0.022 0.000 2.091 169 T N -3.318 111.018 114.554 -0.363 0.000 3.664 169 T HA 0.249 4.598 4.350 -0.001 0.000 0.301 169 T C -2.710 171.872 174.700 -0.197 0.000 0.877 169 T CA -0.038 61.642 62.100 -0.701 0.000 0.864 169 T CB -0.888 67.651 68.868 -0.548 0.000 1.209 169 T HN 0.139 nan 8.240 nan 0.000 0.764 170 P HA 0.349 nan 4.420 nan 0.000 0.281 170 P C -2.217 175.248 177.300 0.274 0.000 1.286 170 P CA -1.112 62.077 63.100 0.149 0.000 0.772 170 P CB 1.160 32.905 31.700 0.075 0.000 0.862 171 P HA -0.069 nan 4.420 nan 0.000 0.206 171 P C -0.174 177.175 177.300 0.082 0.000 1.093 171 P CA 0.530 63.785 63.100 0.258 0.000 0.703 171 P CB -0.262 31.611 31.700 0.289 0.000 0.622 172 Y N 0.444 120.683 120.300 -0.103 0.000 2.730 172 Y HA 0.094 4.643 4.550 -0.001 0.000 0.354 172 Y C 1.531 177.375 175.900 -0.093 0.000 1.139 172 Y CA 0.455 58.460 58.100 -0.159 0.000 1.516 172 Y CB -0.399 37.947 38.460 -0.191 0.000 1.204 172 Y HN 0.155 nan 8.280 nan 0.000 0.520 173 Q N 0.099 119.876 119.800 -0.040 0.000 2.860 173 Q HA 0.138 4.477 4.340 -0.001 0.000 0.401 173 Q C 1.365 177.348 176.000 -0.029 0.000 0.669 173 Q CA 0.019 55.824 55.803 0.004 0.000 0.916 173 Q CB 0.920 29.697 28.738 0.065 0.000 1.310 173 Q HN 0.526 nan 8.270 nan 0.000 0.394 174 S N 0.026 115.761 115.700 0.059 0.000 2.383 174 S HA -0.057 4.412 4.470 -0.001 0.000 0.229 174 S C 0.869 175.454 174.600 -0.024 0.000 1.030 174 S CA 0.947 59.163 58.200 0.026 0.000 1.002 174 S CB -0.119 63.250 63.200 0.282 0.000 0.829 174 S HN 0.372 nan 8.310 nan 0.000 0.467 175 L N 1.012 122.279 121.223 0.073 0.000 2.330 175 L HA 0.682 5.021 4.340 -0.001 0.000 0.271 175 L C 0.053 176.903 176.870 -0.033 0.000 1.013 175 L CA -1.145 53.728 54.840 0.055 0.000 0.816 175 L CB 1.542 43.702 42.059 0.169 0.000 1.287 175 L HN 0.251 nan 8.230 nan 0.000 0.435 176 A N 3.048 125.859 122.820 -0.015 0.000 2.531 176 A HA 0.101 4.420 4.320 -0.001 0.000 0.236 176 A C 0.116 177.695 177.584 -0.007 0.000 1.062 176 A CA -0.021 52.010 52.037 -0.010 0.000 0.760 176 A CB 0.011 19.071 19.000 0.100 0.000 0.995 176 A HN 0.795 nan 8.150 nan 0.000 0.501 177 R N 1.512 121.951 120.500 -0.102 0.000 2.458 177 R HA 0.124 4.463 4.340 -0.001 0.000 0.303 177 R C -1.218 175.125 176.300 0.072 0.000 1.013 177 R CA 0.356 56.367 56.100 -0.147 0.000 1.026 177 R CB 0.122 30.128 30.300 -0.489 0.000 0.948 177 R HN 0.681 nan 8.270 nan 0.000 0.417 178 D N 3.772 124.205 120.400 0.056 0.000 2.344 178 D HA 0.159 4.798 4.640 -0.001 0.000 0.239 178 D C -0.593 175.746 176.300 0.064 0.000 1.064 178 D CA -0.495 53.550 54.000 0.074 0.000 0.829 178 D CB 1.798 42.642 40.800 0.073 0.000 1.129 178 D HN 0.421 nan 8.370 nan 0.000 0.506 179 Q N 0.953 120.751 119.800 -0.002 0.000 2.299 179 Q HA 0.439 4.779 4.340 -0.001 0.000 0.246 179 Q C 0.180 176.160 176.000 -0.034 0.000 0.935 179 Q CA -0.229 55.536 55.803 -0.063 0.000 0.887 179 Q CB 1.633 30.173 28.738 -0.331 0.000 1.223 179 Q HN 0.431 nan 8.270 nan 0.000 0.439 180 I N 1.672 122.213 120.570 -0.049 0.000 2.581 180 I HA 0.103 4.272 4.170 -0.001 0.000 0.288 180 I C 0.082 176.169 176.117 -0.050 0.000 1.047 180 I CA -0.373 60.897 61.300 -0.050 0.000 1.374 180 I CB 0.767 38.717 38.000 -0.083 0.000 1.423 180 I HN 0.533 nan 8.210 nan 0.000 0.549 181 N N 4.056 122.743 118.700 -0.020 0.000 2.476 181 N HA 0.378 5.117 4.740 -0.001 0.000 0.257 181 N C -0.003 175.517 175.510 0.016 0.000 0.970 181 N CA -0.415 52.637 53.050 0.003 0.000 0.938 181 N CB 1.756 40.259 38.487 0.026 0.000 1.144 181 N HN 0.651 nan 8.380 nan 0.000 0.500 182 A N 2.497 125.331 122.820 0.023 0.000 2.278 182 A HA 0.245 4.564 4.320 -0.001 0.000 0.212 182 A C 0.427 178.087 177.584 0.127 0.000 1.213 182 A CA 0.321 52.392 52.037 0.056 0.000 0.840 182 A CB -0.364 18.653 19.000 0.029 0.000 0.866 182 A HN 0.521 nan 8.150 nan 0.000 0.489 183 V N -3.513 116.482 119.914 0.135 0.000 3.102 183 V HA 0.757 4.876 4.120 -0.001 0.000 0.312 183 V C -0.012 176.148 176.094 0.110 0.000 1.135 183 V CA -0.294 62.088 62.300 0.136 0.000 1.022 183 V CB 0.995 32.910 31.823 0.153 0.000 1.056 183 V HN 0.361 nan 8.190 nan 0.000 0.436 184 T N -0.380 114.252 114.554 0.130 0.000 2.919 184 T HA 0.242 4.591 4.350 -0.001 0.000 0.302 184 T C 0.940 175.668 174.700 0.047 0.000 1.031 184 T CA 0.485 62.664 62.100 0.131 0.000 1.127 184 T CB 1.007 70.034 68.868 0.264 0.000 0.952 184 T HN 0.847 nan 8.240 nan 0.000 0.540 185 S N 1.477 117.068 115.700 -0.181 0.000 2.522 185 S HA 0.176 4.645 4.470 -0.001 0.000 0.227 185 S C 0.141 174.579 174.600 -0.270 0.000 0.986 185 S CA 0.054 58.077 58.200 -0.294 0.000 0.929 185 S CB -0.492 62.434 63.200 -0.457 0.000 0.769 185 S HN 0.656 nan 8.310 nan 0.000 0.529 186 F N 0.894 120.949 119.950 0.175 0.000 2.371 186 F HA 0.343 4.870 4.527 -0.001 0.000 0.329 186 F C 0.545 176.499 175.800 0.256 0.000 1.107 186 F CA -0.988 57.150 58.000 0.228 0.000 1.137 186 F CB 0.380 39.517 39.000 0.229 0.000 1.214 186 F HN -0.094 nan 8.300 nan 0.000 0.536 187 L N 3.529 125.062 121.223 0.517 0.000 2.395 187 L HA 0.136 4.475 4.340 -0.001 0.000 0.268 187 L C -0.210 176.892 176.870 0.388 0.000 1.223 187 L CA 0.043 55.155 54.840 0.454 0.000 1.093 187 L CB -0.633 41.772 42.059 0.577 0.000 1.349 187 L HN 0.721 nan 8.230 nan 0.000 0.427 188 D N 2.102 122.698 120.400 0.327 0.000 2.720 188 D HA 0.120 4.759 4.640 -0.001 0.000 0.285 188 D C 0.781 177.229 176.300 0.245 0.000 1.359 188 D CA 0.099 54.258 54.000 0.265 0.000 0.818 188 D CB 0.580 41.529 40.800 0.247 0.000 1.108 188 D HN 0.291 nan 8.370 nan 0.000 0.474 189 A N 0.836 123.804 122.820 0.246 0.000 2.771 189 A HA -0.289 4.030 4.320 -0.001 0.000 0.294 189 A C 1.809 179.537 177.584 0.240 0.000 1.500 189 A CA 1.322 53.497 52.037 0.230 0.000 0.829 189 A CB -2.519 16.673 19.000 0.320 0.000 0.998 189 A HN 0.770 nan 8.150 nan 0.000 0.526 190 S N -0.651 115.175 115.700 0.209 0.000 2.474 190 S HA -0.047 4.422 4.470 -0.001 0.000 0.235 190 S C 1.691 176.359 174.600 0.113 0.000 0.997 190 S CA 1.134 59.450 58.200 0.193 0.000 0.949 190 S CB -0.815 62.495 63.200 0.183 0.000 0.766 190 S HN 1.681 nan 8.310 nan 0.000 0.517 191 L N -0.863 120.394 121.223 0.058 0.000 2.291 191 L HA 0.169 4.509 4.340 -0.001 0.000 0.214 191 L C 1.946 178.785 176.870 -0.052 0.000 1.120 191 L CA 0.738 55.587 54.840 0.015 0.000 0.799 191 L CB -0.441 41.609 42.059 -0.016 0.000 0.925 191 L HN 0.172 nan 8.230 nan 0.000 0.446 192 V N -0.809 118.997 119.914 -0.179 0.000 2.575 192 V HA -0.082 4.037 4.120 -0.001 0.000 0.242 192 V C 1.895 177.708 176.094 -0.468 0.000 1.045 192 V CA 1.139 63.195 62.300 -0.407 0.000 1.065 192 V CB -0.421 30.991 31.823 -0.684 0.000 0.717 192 V HN 0.378 nan 8.190 nan 0.000 0.467 193 Y N 0.771 121.068 120.300 -0.004 0.000 2.510 193 Y HA 0.532 5.081 4.550 -0.001 0.000 0.273 193 Y C 1.387 177.313 175.900 0.043 0.000 1.119 193 Y CA 0.374 58.483 58.100 0.015 0.000 1.286 193 Y CB -0.071 38.394 38.460 0.008 0.000 1.061 193 Y HN 0.319 nan 8.280 nan 0.000 0.542 194 G N -0.316 108.570 108.800 0.144 0.000 2.699 194 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.686 194 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.686 194 G C 0.227 175.205 174.900 0.131 0.000 1.301 194 G CA -0.206 44.963 45.100 0.115 0.000 0.816 194 G HN 0.026 nan 8.290 nan 0.000 0.595 195 S N 0.282 116.046 115.700 0.107 0.000 2.629 195 S HA 0.323 4.792 4.470 -0.001 0.000 0.236 195 S C 0.368 175.021 174.600 0.088 0.000 1.010 195 S CA 0.359 58.624 58.200 0.109 0.000 0.981 195 S CB 0.362 63.631 63.200 0.114 0.000 0.919 195 S HN 0.555 nan 8.310 nan 0.000 0.514 196 E N 1.111 121.356 120.200 0.075 0.000 2.234 196 E HA 0.268 4.618 4.350 -0.001 0.000 0.266 196 E C -2.286 174.343 176.600 0.048 0.000 0.877 196 E CA -2.265 54.169 56.400 0.055 0.000 0.758 196 E CB 1.983 31.709 29.700 0.044 0.000 1.170 196 E HN -0.136 nan 8.360 nan 0.000 0.415 197 P HA -0.207 nan 4.420 nan 0.000 0.218 197 P C 1.196 178.502 177.300 0.011 0.000 1.149 197 P CA 1.218 64.334 63.100 0.025 0.000 0.817 197 P CB 0.268 31.978 31.700 0.017 0.000 0.785 198 S N -0.360 115.347 115.700 0.010 0.000 2.357 198 S HA -0.131 4.338 4.470 -0.001 0.000 0.221 198 S C 1.902 176.504 174.600 0.004 0.000 1.031 198 S CA 1.005 59.206 58.200 0.002 0.000 0.982 198 S CB -1.674 61.528 63.200 0.002 0.000 0.853 198 S HN 0.056 nan 8.310 nan 0.000 0.458 199 L N 2.226 123.459 121.223 0.017 0.000 2.093 199 L HA 0.256 4.595 4.340 -0.001 0.000 0.208 199 L C 2.538 179.425 176.870 0.028 0.000 1.085 199 L CA 1.622 56.475 54.840 0.021 0.000 0.755 199 L CB -1.089 40.989 42.059 0.031 0.000 0.904 199 L HN 0.340 nan 8.230 nan 0.000 0.435 200 A N -1.433 121.414 122.820 0.045 0.000 2.019 200 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 200 A C 2.504 180.101 177.584 0.021 0.000 1.164 200 A CA 1.691 53.774 52.037 0.077 0.000 0.644 200 A CB -0.833 18.235 19.000 0.113 0.000 0.805 200 A HN 0.580 nan 8.150 nan 0.000 0.449 201 S N -1.024 114.662 115.700 -0.023 0.000 2.421 201 S HA -0.033 4.436 4.470 -0.001 0.000 0.224 201 S C 2.086 176.653 174.600 -0.055 0.000 1.035 201 S CA 0.509 58.665 58.200 -0.073 0.000 0.953 201 S CB -0.353 62.805 63.200 -0.069 0.000 0.810 201 S HN 0.556 nan 8.310 nan 0.000 0.497 202 R N 0.038 120.522 120.500 -0.027 0.000 2.193 202 R HA 0.024 4.363 4.340 -0.001 0.000 0.229 202 R C 1.349 177.637 176.300 -0.021 0.000 1.110 202 R CA 0.848 56.937 56.100 -0.020 0.000 0.988 202 R CB -0.295 30.001 30.300 -0.007 0.000 0.871 202 R HN 0.367 nan 8.270 nan 0.000 0.458 203 L N 0.039 121.251 121.223 -0.017 0.000 2.446 203 L HA 0.073 4.413 4.340 -0.001 0.000 0.219 203 L C 0.791 177.643 176.870 -0.030 0.000 1.116 203 L CA 0.975 55.802 54.840 -0.021 0.000 0.844 203 L CB -0.332 41.724 42.059 -0.007 0.000 0.970 203 L HN -0.043 nan 8.230 nan 0.000 0.457 204 R N 0.207 120.684 120.500 -0.040 0.000 2.560 204 R HA 0.122 4.461 4.340 -0.001 0.000 0.270 204 R C 0.204 176.479 176.300 -0.040 0.000 1.074 204 R CA -0.457 55.612 56.100 -0.051 0.000 1.140 204 R CB 0.318 30.520 30.300 -0.164 0.000 1.073 204 R HN -0.098 nan 8.270 nan 0.000 0.527 205 N N 2.606 121.297 118.700 -0.014 0.000 2.767 205 N HA 0.073 4.812 4.740 -0.001 0.000 0.238 205 N C 0.088 175.591 175.510 -0.011 0.000 1.083 205 N CA -0.012 53.036 53.050 -0.003 0.000 0.964 205 N CB 0.348 38.849 38.487 0.024 0.000 1.252 205 N HN 0.523 nan 8.380 nan 0.000 0.512 206 L N 1.037 122.242 121.223 -0.030 0.000 2.591 206 L HA 0.112 4.451 4.340 -0.001 0.000 0.228 206 L C 1.741 178.602 176.870 -0.016 0.000 1.133 206 L CA 0.038 54.856 54.840 -0.037 0.000 0.880 206 L CB -0.006 42.019 42.059 -0.058 0.000 1.033 206 L HN 0.329 nan 8.230 nan 0.000 0.450 207 S N -0.347 115.351 115.700 -0.004 0.000 2.402 207 S HA -0.065 4.404 4.470 -0.001 0.000 0.229 207 S C 1.020 175.626 174.600 0.011 0.000 1.021 207 S CA 0.990 59.194 58.200 0.005 0.000 0.974 207 S CB -0.061 63.146 63.200 0.012 0.000 0.800 207 S HN 0.605 nan 8.310 nan 0.000 0.484 208 S N 0.701 116.410 115.700 0.015 0.000 2.568 208 S HA 0.530 4.999 4.470 -0.001 0.000 0.293 208 S C -3.065 171.549 174.600 0.023 0.000 1.089 208 S CA -1.538 56.675 58.200 0.021 0.000 0.945 208 S CB 1.954 65.171 63.200 0.029 0.000 1.077 208 S HN -0.034 nan 8.310 nan 0.000 0.485 209 P HA 0.328 nan 4.420 nan 0.000 0.228 209 P C -0.032 177.296 177.300 0.047 0.000 1.764 209 P CA -0.200 62.919 63.100 0.030 0.000 0.929 209 P CB -0.481 31.237 31.700 0.031 0.000 1.675 210 L N -1.627 119.628 121.223 0.053 0.000 2.693 210 L HA 0.380 4.719 4.340 -0.001 0.000 0.235 210 L C 1.483 178.408 176.870 0.091 0.000 1.127 210 L CA 0.372 55.251 54.840 0.066 0.000 0.914 210 L CB -0.386 41.705 42.059 0.054 0.000 1.193 210 L HN 0.151 nan 8.230 nan 0.000 0.502 211 G N 1.081 109.946 108.800 0.107 0.000 2.160 211 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.251 211 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.251 211 G C 0.140 175.220 174.900 0.300 0.000 1.008 211 G CA 0.070 45.282 45.100 0.187 0.000 0.724 211 G HN 0.236 nan 8.290 nan 0.000 0.514 212 L N 0.010 121.362 121.223 0.215 0.000 2.439 212 L HA 0.628 4.967 4.340 -0.001 0.000 0.259 212 L C 1.203 178.192 176.870 0.198 0.000 1.129 212 L CA -1.003 53.987 54.840 0.250 0.000 0.803 212 L CB 0.558 42.701 42.059 0.140 0.000 1.161 212 L HN 0.013 nan 8.230 nan 0.000 0.462 213 M N 1.325 121.001 119.600 0.128 0.000 2.249 213 M HA 0.325 4.804 4.480 -0.001 0.000 0.351 213 M C 0.152 176.441 176.300 -0.018 0.000 1.180 213 M CA -0.506 54.780 55.300 -0.022 0.000 1.127 213 M CB 1.245 33.738 32.600 -0.177 0.000 1.546 213 M HN 0.686 nan 8.290 nan 0.000 0.461 214 A N 3.055 125.852 122.820 -0.039 0.000 2.520 214 A HA 0.437 4.756 4.320 -0.001 0.000 0.245 214 A C 0.169 177.696 177.584 -0.096 0.000 1.072 214 A CA -0.447 51.561 52.037 -0.049 0.000 0.761 214 A CB -0.108 18.864 19.000 -0.047 0.000 1.004 214 A HN 0.798 nan 8.150 nan 0.000 0.499 215 V N 1.450 121.295 119.914 -0.116 0.000 3.103 215 V HA 0.522 4.641 4.120 -0.001 0.000 0.318 215 V C 0.344 176.258 176.094 -0.299 0.000 1.114 215 V CA -1.418 60.742 62.300 -0.233 0.000 1.020 215 V CB 1.618 33.273 31.823 -0.280 0.000 1.085 215 V HN 0.860 nan 8.190 nan 0.000 0.446 216 N N 1.757 120.181 118.700 -0.459 0.000 2.483 216 N HA 0.094 4.834 4.740 -0.001 0.000 0.264 216 N C 0.491 175.709 175.510 -0.488 0.000 1.197 216 N CA 0.066 52.820 53.050 -0.493 0.000 0.927 216 N CB 1.426 39.556 38.487 -0.596 0.000 1.065 216 N HN 0.767 nan 8.380 nan 0.000 0.461 217 Q N 2.358 122.024 119.800 -0.224 0.000 2.391 217 Q HA 0.017 4.356 4.340 -0.001 0.000 0.211 217 Q C 0.881 176.915 176.000 0.057 0.000 0.908 217 Q CA 0.631 56.422 55.803 -0.019 0.000 0.920 217 Q CB 0.253 29.026 28.738 0.058 0.000 1.056 217 Q HN 0.599 nan 8.270 nan 0.000 0.523 218 E N 1.262 121.460 120.200 -0.003 0.000 2.046 218 E HA 0.047 4.396 4.350 -0.001 0.000 0.190 218 E C 0.147 176.828 176.600 0.136 0.000 0.982 218 E CA 1.004 57.469 56.400 0.109 0.000 0.800 218 E CB 0.178 30.008 29.700 0.217 0.000 0.756 218 E HN 0.251 nan 8.360 nan 0.000 0.449 219 A N -0.936 121.889 122.820 0.007 0.000 2.413 219 A HA 0.656 4.975 4.320 -0.001 0.000 0.307 219 A C -1.577 175.979 177.584 -0.047 0.000 1.087 219 A CA -0.643 51.475 52.037 0.135 0.000 0.750 219 A CB 0.791 19.934 19.000 0.238 0.000 1.296 219 A HN 0.172 nan 8.150 nan 0.000 0.423 220 W N -0.340 121.051 121.300 0.152 0.000 3.029 220 W HA 0.562 5.221 4.660 -0.001 0.000 0.339 220 W C -1.010 175.438 176.519 -0.117 0.000 1.198 220 W CA -0.025 57.299 57.345 -0.035 0.000 1.148 220 W CB 1.805 31.235 29.460 -0.050 0.000 1.451 220 W HN 0.607 nan 8.180 nan 0.000 0.564 221 D N 0.574 120.932 120.400 -0.070 0.000 2.404 221 D HA 0.173 4.812 4.640 -0.001 0.000 0.267 221 D C 0.048 176.366 176.300 0.031 0.000 1.194 221 D CA -0.140 53.764 54.000 -0.161 0.000 0.910 221 D CB -0.275 40.230 40.800 -0.491 0.000 1.090 221 D HN 0.524 nan 8.370 nan 0.000 0.511 222 H N 2.415 121.555 119.070 0.116 0.000 2.655 222 H HA -0.211 4.344 4.556 -0.001 0.000 0.313 222 H C 1.290 176.702 175.328 0.140 0.000 1.141 222 H CA 1.436 57.553 56.048 0.114 0.000 1.138 222 H CB -1.251 28.589 29.762 0.131 0.000 1.446 222 H HN 0.782 nan 8.280 nan 0.000 0.415 223 G N -1.230 107.665 108.800 0.159 0.000 2.241 223 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.244 223 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.244 223 G C 0.411 175.402 174.900 0.152 0.000 0.998 223 G CA 0.282 45.428 45.100 0.076 0.000 0.621 223 G HN 0.423 nan 8.290 nan 0.000 0.519 224 L N 0.816 122.133 121.223 0.156 0.000 2.431 224 L HA 0.784 5.123 4.340 -0.001 0.000 0.260 224 L C 1.001 177.898 176.870 0.044 0.000 1.098 224 L CA -0.487 54.386 54.840 0.056 0.000 0.800 224 L CB 1.299 43.292 42.059 -0.110 0.000 1.210 224 L HN 0.325 nan 8.230 nan 0.000 0.465 225 A N 0.345 123.099 122.820 -0.110 0.000 2.282 225 A HA 0.663 4.982 4.320 -0.001 0.000 0.319 225 A C -1.292 175.959 177.584 -0.555 0.000 1.121 225 A CA -0.248 51.578 52.037 -0.351 0.000 0.836 225 A CB 0.570 19.443 19.000 -0.211 0.000 1.146 225 A HN 0.571 nan 8.150 nan 0.000 0.494 226 Y N 0.089 120.087 120.300 -0.503 0.000 2.562 226 Y HA 0.452 5.002 4.550 -0.001 0.000 0.343 226 Y C -2.095 173.438 175.900 -0.613 0.000 1.025 226 Y CA -2.431 55.328 58.100 -0.568 0.000 1.082 226 Y CB 2.042 40.181 38.460 -0.536 0.000 1.264 226 Y HN 0.457 nan 8.280 nan 0.000 0.478 227 P HA 0.062 nan 4.420 nan 0.000 0.269 227 P C -2.620 174.471 177.300 -0.349 0.000 1.215 227 P CA -1.036 61.804 63.100 -0.433 0.000 0.780 227 P CB 0.001 31.411 31.700 -0.484 0.000 0.898 228 P HA 0.086 nan 4.420 nan 0.000 0.270 228 P C -0.537 176.736 177.300 -0.044 0.000 1.223 228 P CA 0.203 63.185 63.100 -0.197 0.000 0.785 228 P CB 0.170 31.812 31.700 -0.098 0.000 0.923 229 F N 0.436 120.440 119.950 0.090 0.000 2.418 229 F HA 0.180 4.706 4.527 -0.001 0.000 0.341 229 F C 1.432 177.260 175.800 0.046 0.000 1.120 229 F CA -0.239 57.811 58.000 0.084 0.000 1.232 229 F CB -0.350 38.667 39.000 0.029 0.000 1.175 229 F HN 0.229 nan 8.300 nan 0.000 0.569 230 N N 2.611 121.463 118.700 0.254 0.000 2.420 230 N HA -0.038 4.701 4.740 -0.001 0.000 0.262 230 N C 1.100 176.667 175.510 0.095 0.000 1.144 230 N CA 0.212 53.341 53.050 0.132 0.000 0.952 230 N CB 0.080 38.624 38.487 0.095 0.000 1.081 230 N HN 0.505 nan 8.380 nan 0.000 0.480 231 N N 3.214 121.959 118.700 0.074 0.000 2.064 231 N HA -0.184 4.555 4.740 -0.001 0.000 0.200 231 N C -0.342 175.185 175.510 0.027 0.000 1.028 231 N CA 1.148 54.227 53.050 0.048 0.000 0.880 231 N CB -0.252 38.256 38.487 0.034 0.000 1.062 231 N HN 0.387 nan 8.380 nan 0.000 0.454 232 V N 1.858 121.783 119.914 0.019 0.000 2.599 232 V HA 0.030 4.150 4.120 -0.001 0.000 0.300 232 V C 0.499 176.591 176.094 -0.003 0.000 1.034 232 V CA 0.480 62.781 62.300 0.003 0.000 1.115 232 V CB 0.474 32.293 31.823 -0.006 0.000 0.934 232 V HN 0.188 nan 8.190 nan 0.000 0.485 233 K N 4.911 125.306 120.400 -0.008 0.000 2.316 233 K HA 0.589 4.908 4.320 -0.001 0.000 0.251 233 K C -2.305 174.285 176.600 -0.017 0.000 0.934 233 K CA -1.557 54.725 56.287 -0.009 0.000 0.802 233 K CB 1.720 34.220 32.500 -0.000 0.000 1.171 233 K HN 0.618 nan 8.250 nan 0.000 0.426 234 P HA 0.077 nan 4.420 nan 0.000 0.272 234 P C -0.909 176.379 177.300 -0.020 0.000 1.223 234 P CA -0.429 62.665 63.100 -0.010 0.000 0.784 234 P CB 1.179 32.867 31.700 -0.019 0.000 0.923 235 S N 1.067 116.772 115.700 0.008 0.000 2.519 235 S HA 0.467 4.936 4.470 -0.001 0.000 0.309 235 S C -1.853 172.761 174.600 0.023 0.000 1.100 235 S CA -1.603 56.597 58.200 0.000 0.000 1.059 235 S CB 1.203 64.406 63.200 0.004 0.000 1.008 235 S HN 0.165 nan 8.310 nan 0.000 0.478 236 P HA 0.039 nan 4.420 nan 0.000 0.217 236 P C 1.196 178.542 177.300 0.076 0.000 1.151 236 P CA 0.865 63.923 63.100 -0.069 0.000 0.828 236 P CB -0.035 31.369 31.700 -0.492 0.000 0.788 237 c N -0.471 118.185 118.600 0.092 0.000 2.435 237 c HA -0.036 4.533 4.570 -0.001 0.000 0.279 237 c C 2.569 176.698 174.090 0.064 0.000 1.321 237 c CA 0.678 57.069 56.329 0.102 0.000 1.752 237 c CB -1.495 41.040 42.510 0.042 0.000 1.959 237 c HN 0.336 nan 8.230 nan 0.000 0.500 238 E N -0.203 120.022 120.200 0.042 0.000 2.107 238 E HA -0.153 4.196 4.350 -0.001 0.000 0.191 238 E C 1.789 178.412 176.600 0.038 0.000 0.982 238 E CA 0.858 57.264 56.400 0.009 0.000 0.809 238 E CB -0.243 29.455 29.700 -0.004 0.000 0.756 238 E HN 0.712 nan 8.360 nan 0.000 0.459 239 F N 1.844 121.781 119.950 -0.023 0.000 2.120 239 F HA -0.219 4.307 4.527 -0.001 0.000 0.300 239 F C 2.046 177.847 175.800 0.001 0.000 1.095 239 F CA 1.566 59.572 58.000 0.010 0.000 1.249 239 F CB -0.084 38.969 39.000 0.088 0.000 0.995 239 F HN 0.018 nan 8.300 nan 0.000 0.480 240 I N -1.520 119.171 120.570 0.202 0.000 3.334 240 I HA -0.002 4.167 4.170 -0.001 0.000 0.282 240 I C 0.105 176.220 176.117 -0.003 0.000 1.313 240 I CA 0.915 62.287 61.300 0.120 0.000 1.396 240 I CB -0.594 37.420 38.000 0.024 0.000 1.054 240 I HN 0.221 nan 8.210 nan 0.000 0.495 241 N N 0.627 119.255 118.700 -0.120 0.000 3.153 241 N HA -0.010 4.729 4.740 -0.001 0.000 0.208 241 N C 0.587 175.909 175.510 -0.314 0.000 1.462 241 N CA 0.627 53.503 53.050 -0.289 0.000 0.754 241 N CB 0.495 38.648 38.487 -0.556 0.000 1.558 241 N HN 0.256 nan 8.380 nan 0.000 0.605 242 T N -1.922 112.445 114.554 -0.311 0.000 3.113 242 T HA -0.025 4.325 4.350 -0.001 0.000 0.263 242 T C 1.369 175.829 174.700 -0.401 0.000 1.143 242 T CA 1.333 63.241 62.100 -0.320 0.000 1.090 242 T CB 0.004 68.688 68.868 -0.307 0.000 0.922 242 T HN 0.218 nan 8.240 nan 0.000 0.521 243 T N 1.819 116.145 114.554 -0.380 0.000 2.809 243 T HA 0.252 4.601 4.350 -0.001 0.000 0.260 243 T C 2.491 176.971 174.700 -0.366 0.000 1.039 243 T CA 0.938 62.816 62.100 -0.370 0.000 1.141 243 T CB -0.678 68.001 68.868 -0.316 0.000 0.869 243 T HN 0.567 nan 8.240 nan 0.000 0.437 244 A N 0.375 122.968 122.820 -0.379 0.000 1.972 244 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 244 A C 1.124 178.668 177.584 -0.066 0.000 1.169 244 A CA 1.649 53.523 52.037 -0.272 0.000 0.635 244 A CB -0.570 18.169 19.000 -0.434 0.000 0.810 244 A HN 0.685 nan 8.150 nan 0.000 0.446 245 H N -2.977 115.980 119.070 -0.188 0.000 3.132 245 H HA -0.123 4.432 4.556 -0.001 0.000 0.237 245 H C -0.684 174.512 175.328 -0.219 0.000 1.189 245 H CA 0.705 56.652 56.048 -0.168 0.000 1.129 245 H CB -2.012 27.667 29.762 -0.139 0.000 1.225 245 H HN 0.265 nan 8.280 nan 0.000 0.323 246 V N 2.590 122.441 119.914 -0.105 0.000 2.350 246 V HA 0.305 4.424 4.120 -0.001 0.000 0.276 246 V C -1.755 174.146 176.094 -0.323 0.000 1.028 246 V CA -1.081 61.053 62.300 -0.277 0.000 0.860 246 V CB 1.763 33.502 31.823 -0.140 0.000 0.990 246 V HN 0.026 nan 8.190 nan 0.000 0.453 247 P HA 0.334 nan 4.420 nan 0.000 0.282 247 P C -0.388 176.774 177.300 -0.229 0.000 1.287 247 P CA -0.726 62.190 63.100 -0.306 0.000 0.792 247 P CB 0.619 32.159 31.700 -0.266 0.000 1.163 248 c N -0.137 118.418 118.600 -0.075 0.000 2.604 248 c HA 0.337 4.906 4.570 -0.001 0.000 0.396 248 c C 0.658 174.783 174.090 0.058 0.000 1.282 248 c CA -0.049 56.246 56.329 -0.056 0.000 2.292 248 c CB -1.372 41.179 42.510 0.069 0.000 2.633 248 c HN 0.350 nan 8.230 nan 0.000 0.620 249 F N 1.246 121.254 119.950 0.098 0.000 2.450 249 F HA 0.261 4.787 4.527 -0.001 0.000 0.339 249 F C 0.719 176.520 175.800 0.002 0.000 1.146 249 F CA 0.024 58.051 58.000 0.046 0.000 1.267 249 F CB 0.291 39.270 39.000 -0.035 0.000 1.178 249 F HN 0.513 nan 8.300 nan 0.000 0.585 250 Q N 2.084 122.008 119.800 0.207 0.000 2.400 250 Q HA 0.637 4.976 4.340 -0.001 0.000 0.255 250 Q C -0.871 175.146 176.000 0.028 0.000 1.008 250 Q CA -0.481 55.373 55.803 0.085 0.000 0.841 250 Q CB 1.043 29.821 28.738 0.066 0.000 1.220 250 Q HN 0.844 nan 8.270 nan 0.000 0.474 251 A N 2.313 125.138 122.820 0.009 0.000 2.889 251 A HA 0.762 5.081 4.320 -0.001 0.000 0.235 251 A C 0.862 178.456 177.584 0.016 0.000 1.307 251 A CA 0.080 52.126 52.037 0.015 0.000 0.917 251 A CB 0.166 19.214 19.000 0.080 0.000 1.546 251 A HN 0.785 nan 8.150 nan 0.000 0.472 252 G N -1.151 107.671 108.800 0.037 0.000 2.430 252 G HA2 0.173 4.132 3.960 -0.001 0.000 0.216 252 G HA3 0.173 4.132 3.960 -0.001 0.000 0.216 252 G C 0.175 175.096 174.900 0.036 0.000 1.146 252 G CA 1.175 46.293 45.100 0.030 0.000 0.793 252 G HN 0.714 nan 8.290 nan 0.000 0.537 253 D N -1.187 119.242 120.400 0.047 0.000 2.163 253 D HA 0.487 5.126 4.640 -0.001 0.000 0.248 253 D C 1.255 177.476 176.300 -0.131 0.000 1.035 253 D CA -0.429 53.541 54.000 -0.050 0.000 0.872 253 D CB 1.810 42.597 40.800 -0.021 0.000 1.183 253 D HN -0.081 nan 8.370 nan 0.000 0.445 254 S N 1.762 117.339 115.700 -0.205 0.000 2.489 254 S HA -0.041 4.428 4.470 -0.001 0.000 0.228 254 S C 1.243 175.720 174.600 -0.206 0.000 0.995 254 S CA 0.509 58.614 58.200 -0.157 0.000 0.934 254 S CB -0.030 63.121 63.200 -0.082 0.000 0.771 254 S HN 0.457 nan 8.310 nan 0.000 0.522 255 R N 1.292 121.565 120.500 -0.378 0.000 2.391 255 R HA 0.398 4.737 4.340 -0.001 0.000 0.249 255 R C 1.553 177.692 176.300 -0.269 0.000 0.957 255 R CA 0.369 56.264 56.100 -0.342 0.000 1.093 255 R CB -0.393 29.552 30.300 -0.591 0.000 1.156 255 R HN 0.295 nan 8.270 nan 0.000 0.526 256 A N 0.117 122.750 122.820 -0.312 0.000 2.119 256 A HA -0.013 4.306 4.320 -0.001 0.000 0.217 256 A C 1.232 178.629 177.584 -0.313 0.000 1.153 256 A CA 0.946 52.664 52.037 -0.533 0.000 0.692 256 A CB 0.103 18.521 19.000 -0.970 0.000 0.799 256 A HN 0.211 nan 8.150 nan 0.000 0.458 257 S N -0.398 115.170 115.700 -0.220 0.000 2.601 257 S HA 0.087 4.556 4.470 -0.001 0.000 0.244 257 S C 1.256 175.535 174.600 -0.535 0.000 1.001 257 S CA -0.205 57.866 58.200 -0.214 0.000 0.984 257 S CB 0.228 63.383 63.200 -0.076 0.000 0.842 257 S HN 0.617 nan 8.310 nan 0.000 0.474 258 E N 2.060 121.897 120.200 -0.605 0.000 2.204 258 E HA -0.155 4.194 4.350 -0.001 0.000 0.195 258 E C 0.312 176.600 176.600 -0.519 0.000 0.990 258 E CA 1.122 56.967 56.400 -0.925 0.000 0.821 258 E CB 0.236 29.658 29.700 -0.464 0.000 0.750 258 E HN 0.742 nan 8.360 nan 0.000 0.477 259 Q N -1.635 118.024 119.800 -0.235 0.000 2.426 259 Q HA 0.245 4.584 4.340 -0.001 0.000 0.278 259 Q C 0.474 176.433 176.000 -0.069 0.000 1.007 259 Q CA -0.329 55.444 55.803 -0.049 0.000 0.850 259 Q CB 0.385 29.192 28.738 0.116 0.000 1.427 259 Q HN -0.018 nan 8.270 nan 0.000 0.391 260 I N 0.776 121.299 120.570 -0.077 0.000 2.248 260 I HA -0.251 3.918 4.170 -0.001 0.000 0.248 260 I C 0.643 176.746 176.117 -0.024 0.000 1.107 260 I CA 1.466 62.719 61.300 -0.078 0.000 1.373 260 I CB 0.121 38.042 38.000 -0.132 0.000 1.055 260 I HN 0.825 nan 8.210 nan 0.000 0.418 261 L N -0.038 121.176 121.223 -0.015 0.000 2.141 261 L HA -0.166 4.173 4.340 -0.001 0.000 0.209 261 L C 2.175 179.070 176.870 0.041 0.000 1.094 261 L CA 1.500 56.349 54.840 0.016 0.000 0.763 261 L CB -1.209 40.861 42.059 0.017 0.000 0.908 261 L HN 0.332 nan 8.230 nan 0.000 0.437 262 L N -0.352 120.885 121.223 0.023 0.000 2.056 262 L HA -0.083 4.256 4.340 -0.001 0.000 0.207 262 L C 2.496 179.438 176.870 0.120 0.000 1.078 262 L CA 1.861 56.732 54.840 0.051 0.000 0.749 262 L CB -0.755 41.300 42.059 -0.007 0.000 0.901 262 L HN 0.185 nan 8.230 nan 0.000 0.433 263 A N -1.620 121.242 122.820 0.070 0.000 1.978 263 A HA -0.199 4.120 4.320 -0.001 0.000 0.220 263 A C 2.223 179.906 177.584 0.165 0.000 1.170 263 A CA 2.195 54.320 52.037 0.147 0.000 0.636 263 A CB -1.124 18.019 19.000 0.238 0.000 0.810 263 A HN 0.530 nan 8.150 nan 0.000 0.448 264 T N -0.466 114.166 114.554 0.129 0.000 2.737 264 T HA -0.096 4.253 4.350 -0.001 0.000 0.265 264 T C 1.795 176.567 174.700 0.120 0.000 1.038 264 T CA 1.668 63.834 62.100 0.110 0.000 1.144 264 T CB -0.345 68.572 68.868 0.081 0.000 0.866 264 T HN 0.189 nan 8.240 nan 0.000 0.434 265 V N 0.789 120.799 119.914 0.159 0.000 2.719 265 V HA -0.082 4.037 4.120 -0.001 0.000 0.252 265 V C 2.275 178.438 176.094 0.115 0.000 1.065 265 V CA 1.086 63.502 62.300 0.194 0.000 1.086 265 V CB -0.698 31.280 31.823 0.258 0.000 0.700 265 V HN 0.593 nan 8.190 nan 0.000 0.467 266 H N 0.187 119.267 119.070 0.017 0.000 2.457 266 H HA -0.103 4.453 4.556 -0.001 0.000 0.294 266 H C 2.366 177.637 175.328 -0.096 0.000 1.064 266 H CA 1.884 57.908 56.048 -0.040 0.000 1.330 266 H CB 0.230 29.968 29.762 -0.040 0.000 1.395 266 H HN 0.400 nan 8.280 nan 0.000 0.541 267 T N 0.814 115.377 114.554 0.015 0.000 2.894 267 T HA -0.054 4.295 4.350 -0.001 0.000 0.258 267 T C 2.126 176.768 174.700 -0.097 0.000 1.043 267 T CA 0.015 62.061 62.100 -0.090 0.000 1.141 267 T CB -0.027 68.790 68.868 -0.084 0.000 0.873 267 T HN 0.021 nan 8.240 nan 0.000 0.449 268 L N 1.361 122.548 121.223 -0.060 0.000 1.990 268 L HA -0.048 4.291 4.340 -0.001 0.000 0.213 268 L C 2.330 179.114 176.870 -0.145 0.000 1.072 268 L CA 1.630 56.406 54.840 -0.107 0.000 0.755 268 L CB -1.314 40.698 42.059 -0.078 0.000 0.889 268 L HN 0.291 nan 8.230 nan 0.000 0.432 269 L N -1.658 119.500 121.223 -0.108 0.000 2.046 269 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 269 L C 2.517 179.297 176.870 -0.151 0.000 1.077 269 L CA 0.786 55.542 54.840 -0.138 0.000 0.747 269 L CB -0.606 41.385 42.059 -0.114 0.000 0.896 269 L HN 0.252 nan 8.230 nan 0.000 0.432 270 L N -0.053 121.076 121.223 -0.156 0.000 2.012 270 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 270 L C 2.792 179.604 176.870 -0.097 0.000 1.073 270 L CA 1.661 56.410 54.840 -0.152 0.000 0.748 270 L CB -0.350 41.606 42.059 -0.172 0.000 0.891 270 L HN 0.067 nan 8.230 nan 0.000 0.431 271 R N -0.648 119.777 120.500 -0.124 0.000 2.091 271 R HA -0.231 4.108 4.340 -0.001 0.000 0.238 271 R C 2.254 178.485 176.300 -0.114 0.000 1.136 271 R CA 1.560 57.590 56.100 -0.118 0.000 0.959 271 R CB -0.362 29.847 30.300 -0.151 0.000 0.856 271 R HN 0.408 nan 8.270 nan 0.000 0.437 272 E N -0.006 120.102 120.200 -0.154 0.000 2.077 272 E HA -0.233 4.116 4.350 -0.001 0.000 0.193 272 E C 1.685 178.207 176.600 -0.130 0.000 0.989 272 E CA 1.819 58.101 56.400 -0.196 0.000 0.800 272 E CB -0.193 29.319 29.700 -0.314 0.000 0.746 272 E HN 0.472 nan 8.360 nan 0.000 0.452 273 H N -0.132 118.854 119.070 -0.139 0.000 2.290 273 H HA -0.077 4.478 4.556 -0.001 0.000 0.298 273 H C 1.704 176.998 175.328 -0.056 0.000 1.087 273 H CA 2.328 58.336 56.048 -0.067 0.000 1.291 273 H CB -0.169 29.585 29.762 -0.012 0.000 1.369 273 H HN 0.139 nan 8.280 nan 0.000 0.492 274 N N 0.368 119.143 118.700 0.125 0.000 2.149 274 N HA -0.156 4.584 4.740 -0.001 0.000 0.188 274 N C 1.999 177.476 175.510 -0.054 0.000 1.019 274 N CA 1.043 54.133 53.050 0.066 0.000 0.857 274 N CB -0.389 38.148 38.487 0.082 0.000 0.997 274 N HN 0.398 nan 8.380 nan 0.000 0.426 275 R N 0.239 120.685 120.500 -0.090 0.000 2.115 275 R HA -0.036 4.304 4.340 -0.001 0.000 0.230 275 R C 1.473 177.680 176.300 -0.155 0.000 1.111 275 R CA 0.734 56.764 56.100 -0.117 0.000 0.976 275 R CB -0.143 30.075 30.300 -0.137 0.000 0.870 275 R HN 0.093 nan 8.270 nan 0.000 0.445 276 L N 0.440 121.539 121.223 -0.207 0.000 2.109 276 L HA 0.020 4.359 4.340 -0.001 0.000 0.207 276 L C 2.395 179.126 176.870 -0.232 0.000 1.086 276 L CA 1.825 56.513 54.840 -0.254 0.000 0.760 276 L CB -0.971 40.902 42.059 -0.310 0.000 0.910 276 L HN 0.173 nan 8.230 nan 0.000 0.437 277 A N 0.187 122.861 122.820 -0.243 0.000 1.930 277 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 277 A C 2.306 179.846 177.584 -0.074 0.000 1.175 277 A CA 1.546 53.487 52.037 -0.160 0.000 0.627 277 A CB -0.421 18.492 19.000 -0.145 0.000 0.815 277 A HN 0.555 nan 8.150 nan 0.000 0.443 278 R N -1.102 119.354 120.500 -0.074 0.000 2.161 278 R HA 0.057 4.396 4.340 -0.001 0.000 0.213 278 R C 1.343 177.603 176.300 -0.067 0.000 1.055 278 R CA 0.989 57.059 56.100 -0.050 0.000 0.996 278 R CB -0.315 29.964 30.300 -0.035 0.000 0.901 278 R HN 0.272 nan 8.270 nan 0.000 0.456 279 E N 1.746 121.889 120.200 -0.095 0.000 2.110 279 E HA -0.086 4.263 4.350 -0.001 0.000 0.193 279 E C 2.122 178.653 176.600 -0.115 0.000 0.988 279 E CA 0.978 57.316 56.400 -0.104 0.000 0.804 279 E CB -0.129 29.494 29.700 -0.129 0.000 0.745 279 E HN 0.410 nan 8.360 nan 0.000 0.458 280 L N 0.534 121.687 121.223 -0.116 0.000 2.291 280 L HA -0.105 4.235 4.340 -0.001 0.000 0.214 280 L C 2.402 179.187 176.870 -0.141 0.000 1.120 280 L CA 0.746 55.512 54.840 -0.123 0.000 0.799 280 L CB -0.235 41.828 42.059 0.006 0.000 0.925 280 L HN 0.030 nan 8.230 nan 0.000 0.446 281 K N 0.732 121.091 120.400 -0.068 0.000 2.062 281 K HA -0.105 4.214 4.320 -0.001 0.000 0.205 281 K C 2.143 178.684 176.600 -0.097 0.000 1.051 281 K CA 1.189 57.441 56.287 -0.058 0.000 0.941 281 K CB 0.003 32.499 32.500 -0.007 0.000 0.719 281 K HN 0.037 nan 8.250 nan 0.000 0.440 282 R N 0.078 120.527 120.500 -0.086 0.000 2.080 282 R HA -0.093 4.246 4.340 -0.001 0.000 0.236 282 R C 2.310 178.550 176.300 -0.100 0.000 1.137 282 R CA 2.051 58.105 56.100 -0.076 0.000 0.943 282 R CB -0.601 29.661 30.300 -0.064 0.000 0.846 282 R HN 0.189 nan 8.270 nan 0.000 0.431 283 L N 0.280 121.420 121.223 -0.138 0.000 2.141 283 L HA -0.097 4.242 4.340 -0.001 0.000 0.209 283 L C 0.261 176.981 176.870 -0.249 0.000 1.094 283 L CA 0.768 55.514 54.840 -0.158 0.000 0.763 283 L CB -0.143 41.827 42.059 -0.149 0.000 0.908 283 L HN 0.175 nan 8.230 nan 0.000 0.437 284 N N -0.768 117.687 118.700 -0.407 0.000 2.844 284 N HA 0.189 4.928 4.740 -0.001 0.000 0.268 284 N C -2.071 173.170 175.510 -0.449 0.000 1.574 284 N CA -1.096 51.546 53.050 -0.681 0.000 0.838 284 N CB 1.084 38.544 38.487 -1.711 0.000 1.177 284 N HN -0.104 nan 8.380 nan 0.000 0.495 285 P HA -0.143 nan 4.420 nan 0.000 0.221 285 P C 1.231 178.567 177.300 0.060 0.000 1.145 285 P CA 1.236 64.328 63.100 -0.013 0.000 0.795 285 P CB 0.060 31.786 31.700 0.044 0.000 0.775 286 H N -3.912 115.186 119.070 0.047 0.000 2.529 286 H HA -0.021 4.534 4.556 -0.001 0.000 0.277 286 H C 0.212 175.711 175.328 0.286 0.000 0.999 286 H CA -0.003 56.129 56.048 0.140 0.000 1.256 286 H CB -0.968 28.876 29.762 0.136 0.000 1.402 286 H HN 0.090 nan 8.280 nan 0.000 0.566 287 W N 3.499 124.633 121.300 -0.278 0.000 2.210 287 W HA 0.134 4.794 4.660 -0.001 0.000 0.330 287 W C 0.249 176.740 176.519 -0.046 0.000 1.334 287 W CA -0.548 56.700 57.345 -0.162 0.000 1.227 287 W CB 0.290 29.635 29.460 -0.192 0.000 1.178 287 W HN 0.123 nan 8.180 nan 0.000 0.560 288 D N 0.690 121.172 120.400 0.136 0.000 2.414 288 D HA 0.157 4.796 4.640 -0.001 0.000 0.251 288 D C 1.538 177.872 176.300 0.057 0.000 1.252 288 D CA 0.159 54.202 54.000 0.072 0.000 0.999 288 D CB 0.388 41.203 40.800 0.025 0.000 1.093 288 D HN 0.471 nan 8.370 nan 0.000 0.515 289 G N -0.249 108.573 108.800 0.037 0.000 2.418 289 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.217 289 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.217 289 G C 1.381 176.293 174.900 0.020 0.000 1.158 289 G CA 0.998 46.118 45.100 0.034 0.000 0.771 289 G HN 0.458 nan 8.290 nan 0.000 0.545 290 E N 0.047 120.232 120.200 -0.026 0.000 2.047 290 E HA -0.060 4.289 4.350 -0.001 0.000 0.191 290 E C 2.610 179.157 176.600 -0.087 0.000 0.987 290 E CA 0.984 57.353 56.400 -0.052 0.000 0.799 290 E CB -0.220 29.438 29.700 -0.069 0.000 0.752 290 E HN 0.292 nan 8.360 nan 0.000 0.449 291 M N -0.278 119.224 119.600 -0.162 0.000 2.132 291 M HA -0.104 4.375 4.480 -0.001 0.000 0.263 291 M C 2.006 178.139 176.300 -0.278 0.000 1.065 291 M CA 0.808 55.899 55.300 -0.348 0.000 1.122 291 M CB -0.701 31.527 32.600 -0.620 0.000 1.365 291 M HN 0.217 nan 8.290 nan 0.000 0.411 292 L N -0.309 120.882 121.223 -0.054 0.000 2.013 292 L HA -0.245 4.094 4.340 -0.001 0.000 0.212 292 L C 2.477 179.361 176.870 0.023 0.000 1.073 292 L CA 2.005 56.898 54.840 0.090 0.000 0.753 292 L CB -1.763 40.378 42.059 0.138 0.000 0.890 292 L HN 0.295 nan 8.230 nan 0.000 0.432 293 Y N 0.302 120.556 120.300 -0.077 0.000 2.070 293 Y HA -0.279 4.271 4.550 -0.001 0.000 0.279 293 Y C 2.682 178.473 175.900 -0.182 0.000 1.134 293 Y CA 1.784 59.864 58.100 -0.033 0.000 1.113 293 Y CB -0.287 38.149 38.460 -0.039 0.000 0.981 293 Y HN 0.202 nan 8.280 nan 0.000 0.487 294 Q N 0.451 120.032 119.800 -0.365 0.000 2.197 294 Q HA -0.201 4.138 4.340 -0.001 0.000 0.207 294 Q C 2.017 177.653 176.000 -0.606 0.000 0.984 294 Q CA 1.792 57.116 55.803 -0.797 0.000 0.869 294 Q CB -0.298 27.546 28.738 -1.490 0.000 0.906 294 Q HN 0.652 nan 8.270 nan 0.000 0.426 295 E N -0.101 119.899 120.200 -0.333 0.000 2.112 295 E HA -0.001 4.348 4.350 -0.001 0.000 0.190 295 E C 1.869 178.446 176.600 -0.039 0.000 0.979 295 E CA 0.819 57.206 56.400 -0.022 0.000 0.814 295 E CB -0.011 29.758 29.700 0.114 0.000 0.762 295 E HN 0.284 nan 8.360 nan 0.000 0.460 296 A N 1.721 124.433 122.820 -0.179 0.000 1.873 296 A HA -0.186 4.133 4.320 -0.001 0.000 0.215 296 A C 2.223 179.703 177.584 -0.172 0.000 1.186 296 A CA 1.657 53.539 52.037 -0.259 0.000 0.616 296 A CB -0.535 18.141 19.000 -0.540 0.000 0.823 296 A HN 0.139 nan 8.150 nan 0.000 0.442 297 R N -0.024 120.302 120.500 -0.289 0.000 2.103 297 R HA -0.218 4.121 4.340 -0.001 0.000 0.242 297 R C 2.245 178.429 176.300 -0.193 0.000 1.142 297 R CA 2.158 57.980 56.100 -0.464 0.000 0.960 297 R CB -0.284 29.317 30.300 -1.165 0.000 0.858 297 R HN 0.550 nan 8.270 nan 0.000 0.439 298 K N 0.319 120.657 120.400 -0.103 0.000 2.002 298 K HA -0.136 4.183 4.320 -0.001 0.000 0.209 298 K C 2.111 178.895 176.600 0.306 0.000 1.048 298 K CA 1.823 58.173 56.287 0.106 0.000 0.930 298 K CB -0.147 32.460 32.500 0.178 0.000 0.714 298 K HN 0.211 nan 8.250 nan 0.000 0.438 299 I N 1.072 121.801 120.570 0.266 0.000 2.163 299 I HA -0.311 3.859 4.170 -0.001 0.000 0.243 299 I C 2.346 178.543 176.117 0.133 0.000 1.085 299 I CA 0.787 62.203 61.300 0.193 0.000 1.347 299 I CB -0.224 37.739 38.000 -0.061 0.000 1.044 299 I HN 0.225 nan 8.210 nan 0.000 0.408 300 L N 1.027 122.318 121.223 0.113 0.000 2.046 300 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 300 L C 2.371 179.406 176.870 0.275 0.000 1.077 300 L CA 2.158 57.099 54.840 0.168 0.000 0.747 300 L CB -1.269 40.905 42.059 0.191 0.000 0.896 300 L HN 0.220 nan 8.230 nan 0.000 0.432 301 G N -1.065 107.881 108.800 0.244 0.000 2.469 301 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.219 301 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.219 301 G C 1.601 176.625 174.900 0.207 0.000 1.150 301 G CA 0.956 46.199 45.100 0.238 0.000 0.763 301 G HN 0.629 nan 8.290 nan 0.000 0.561 302 A N 0.390 123.322 122.820 0.186 0.000 1.873 302 A HA 0.097 4.416 4.320 -0.001 0.000 0.215 302 A C 2.155 179.658 177.584 -0.135 0.000 1.186 302 A CA 1.553 53.586 52.037 -0.005 0.000 0.616 302 A CB -0.603 18.352 19.000 -0.074 0.000 0.823 302 A HN 0.430 nan 8.150 nan 0.000 0.442 303 F N 1.387 121.264 119.950 -0.121 0.000 2.043 303 F HA -0.282 4.244 4.527 -0.001 0.000 0.297 303 F C 2.059 177.897 175.800 0.063 0.000 1.118 303 F CA 2.191 60.142 58.000 -0.081 0.000 1.202 303 F CB -0.194 38.793 39.000 -0.022 0.000 0.965 303 F HN 0.194 nan 8.300 nan 0.000 0.482 304 I N 0.428 121.211 120.570 0.356 0.000 2.118 304 I HA -0.357 3.812 4.170 -0.001 0.000 0.241 304 I C 2.361 178.666 176.117 0.314 0.000 1.070 304 I CA 1.864 63.432 61.300 0.446 0.000 1.327 304 I CB -1.625 36.626 38.000 0.417 0.000 1.034 304 I HN 0.407 nan 8.210 nan 0.000 0.405 305 Q N 0.644 120.544 119.800 0.166 0.000 2.061 305 Q HA -0.192 4.148 4.340 -0.001 0.000 0.204 305 Q C 2.406 178.463 176.000 0.094 0.000 0.984 305 Q CA 1.601 57.488 55.803 0.140 0.000 0.846 305 Q CB -0.202 28.395 28.738 -0.236 0.000 0.902 305 Q HN 0.502 nan 8.270 nan 0.000 0.421 306 I N 0.563 120.963 120.570 -0.282 0.000 2.127 306 I HA -0.302 3.867 4.170 -0.001 0.000 0.241 306 I C 2.163 178.216 176.117 -0.106 0.000 1.075 306 I CA 0.902 62.001 61.300 -0.336 0.000 1.334 306 I CB -0.352 37.228 38.000 -0.700 0.000 1.040 306 I HN 0.229 nan 8.210 nan 0.000 0.405 307 I N 0.520 120.960 120.570 -0.217 0.000 2.163 307 I HA -0.264 3.906 4.170 -0.001 0.000 0.243 307 I C 2.654 178.769 176.117 -0.003 0.000 1.085 307 I CA 1.849 63.010 61.300 -0.232 0.000 1.347 307 I CB -1.796 35.857 38.000 -0.579 0.000 1.044 307 I HN 0.264 nan 8.210 nan 0.000 0.408 308 T N 0.969 115.711 114.554 0.313 0.000 2.684 308 T HA -0.195 4.154 4.350 -0.001 0.000 0.267 308 T C 1.769 176.613 174.700 0.241 0.000 1.036 308 T CA 1.715 64.093 62.100 0.463 0.000 1.148 308 T CB -0.367 68.872 68.868 0.619 0.000 0.863 308 T HN 0.115 nan 8.240 nan 0.000 0.436 309 F N 0.260 120.338 119.950 0.214 0.000 2.473 309 F HA 0.299 4.825 4.527 -0.001 0.000 0.294 309 F C 2.480 178.369 175.800 0.149 0.000 1.103 309 F CA 0.239 58.372 58.000 0.221 0.000 1.442 309 F CB 0.000 39.268 39.000 0.446 0.000 1.097 309 F HN -0.069 nan 8.300 nan 0.000 0.547 310 R N -0.226 120.426 120.500 0.253 0.000 2.146 310 R HA -0.009 4.330 4.340 -0.001 0.000 0.206 310 R C 0.977 177.305 176.300 0.046 0.000 1.049 310 R CA 1.248 57.438 56.100 0.149 0.000 1.029 310 R CB 0.059 30.432 30.300 0.122 0.000 0.949 310 R HN 0.064 nan 8.270 nan 0.000 0.471 311 D N -1.083 119.306 120.400 -0.019 0.000 2.379 311 D HA -0.029 4.611 4.640 -0.001 0.000 0.218 311 D C 1.045 177.150 176.300 -0.325 0.000 1.006 311 D CA 0.572 54.507 54.000 -0.108 0.000 0.893 311 D CB 0.049 40.831 40.800 -0.030 0.000 1.019 311 D HN 0.142 nan 8.370 nan 0.000 0.503 312 Y N 1.412 121.421 120.300 -0.486 0.000 2.217 312 Y HA 0.142 4.691 4.550 -0.001 0.000 0.286 312 Y C 2.088 177.870 175.900 -0.196 0.000 1.117 312 Y CA 0.817 58.621 58.100 -0.494 0.000 1.113 312 Y CB -0.604 37.664 38.460 -0.320 0.000 1.053 312 Y HN -0.235 nan 8.280 nan 0.000 0.501 313 L N 0.647 121.690 121.223 -0.300 0.000 2.010 313 L HA -0.253 4.086 4.340 -0.001 0.000 0.219 313 L C -0.452 176.239 176.870 -0.298 0.000 1.077 313 L CA 2.175 56.747 54.840 -0.447 0.000 0.773 313 L CB -1.933 39.795 42.059 -0.551 0.000 0.892 313 L HN 0.245 nan 8.230 nan 0.000 0.436 314 P HA -0.203 nan 4.420 nan 0.000 0.217 314 P C 1.535 178.759 177.300 -0.126 0.000 1.148 314 P CA 1.642 64.674 63.100 -0.114 0.000 0.834 314 P CB -0.169 31.490 31.700 -0.068 0.000 0.783 315 I N -6.031 114.443 120.570 -0.160 0.000 3.728 315 I HA 0.046 4.215 4.170 -0.001 0.000 0.307 315 I C 1.439 177.484 176.117 -0.120 0.000 1.276 315 I CA 0.270 61.477 61.300 -0.154 0.000 1.285 315 I CB -0.268 37.621 38.000 -0.185 0.000 1.038 315 I HN -0.244 nan 8.210 nan 0.000 0.445 316 V N 0.949 120.776 119.914 -0.145 0.000 2.326 316 V HA -0.069 4.050 4.120 -0.001 0.000 0.238 316 V C 2.266 178.269 176.094 -0.150 0.000 1.038 316 V CA 1.220 63.445 62.300 -0.125 0.000 1.032 316 V CB -0.299 31.316 31.823 -0.345 0.000 0.675 316 V HN 0.295 nan 8.190 nan 0.000 0.467 317 L N 0.194 121.325 121.223 -0.153 0.000 2.240 317 L HA 0.270 4.609 4.340 -0.001 0.000 0.211 317 L C 1.739 178.589 176.870 -0.033 0.000 1.106 317 L CA 1.762 56.556 54.840 -0.077 0.000 0.793 317 L CB -1.441 40.600 42.059 -0.031 0.000 0.927 317 L HN 0.558 nan 8.230 nan 0.000 0.446 318 G N -0.333 108.435 108.800 -0.053 0.000 2.596 318 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.304 318 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.304 318 G C 1.161 176.052 174.900 -0.014 0.000 1.189 318 G CA 1.310 46.386 45.100 -0.040 0.000 0.986 318 G HN 0.471 nan 8.290 nan 0.000 0.548 319 S N 0.369 116.066 115.700 -0.006 0.000 2.481 319 S HA 0.069 4.538 4.470 -0.001 0.000 0.231 319 S C 1.657 176.264 174.600 0.011 0.000 0.996 319 S CA 1.870 60.069 58.200 -0.003 0.000 0.942 319 S CB 0.031 63.227 63.200 -0.007 0.000 0.768 319 S HN 0.601 nan 8.310 nan 0.000 0.520 320 E N 0.849 121.083 120.200 0.057 0.000 2.435 320 E HA 0.073 4.422 4.350 -0.001 0.000 0.195 320 E C 1.573 178.272 176.600 0.165 0.000 1.029 320 E CA 0.380 56.859 56.400 0.132 0.000 0.865 320 E CB -0.412 29.470 29.700 0.303 0.000 0.833 320 E HN 0.623 nan 8.360 nan 0.000 0.510 321 M N 1.359 121.019 119.600 0.100 0.000 2.163 321 M HA -0.286 4.193 4.480 -0.001 0.000 0.258 321 M C 2.038 178.389 176.300 0.084 0.000 1.071 321 M CA 1.946 57.302 55.300 0.093 0.000 1.093 321 M CB -0.234 32.385 32.600 0.031 0.000 1.285 321 M HN -0.064 nan 8.290 nan 0.000 0.420 322 Q N -0.485 119.331 119.800 0.027 0.000 2.181 322 Q HA -0.242 4.097 4.340 -0.001 0.000 0.205 322 Q C 2.182 178.146 176.000 -0.060 0.000 0.980 322 Q CA 1.941 57.744 55.803 0.000 0.000 0.862 322 Q CB -0.356 28.372 28.738 -0.017 0.000 0.905 322 Q HN 0.632 nan 8.270 nan 0.000 0.429 323 K N -0.055 120.253 120.400 -0.153 0.000 2.057 323 K HA -0.182 4.137 4.320 -0.001 0.000 0.207 323 K C 1.332 177.667 176.600 -0.442 0.000 1.049 323 K CA 1.481 57.537 56.287 -0.385 0.000 0.931 323 K CB -0.029 32.115 32.500 -0.593 0.000 0.714 323 K HN 0.248 nan 8.250 nan 0.000 0.440 324 W N 0.277 121.587 121.300 0.017 0.000 2.588 324 W HA 0.260 4.919 4.660 -0.001 0.000 0.277 324 W C 0.350 176.899 176.519 0.050 0.000 1.221 324 W CA -0.373 56.991 57.345 0.030 0.000 1.355 324 W CB 0.540 30.029 29.460 0.048 0.000 1.083 324 W HN -0.144 nan 8.180 nan 0.000 0.581 325 I N 2.435 123.158 120.570 0.254 0.000 2.697 325 I HA 0.195 4.364 4.170 -0.001 0.000 0.279 325 I C -2.012 174.195 176.117 0.150 0.000 1.171 325 I CA -1.971 59.459 61.300 0.217 0.000 1.135 325 I CB 0.323 38.472 38.000 0.248 0.000 1.445 325 I HN -0.413 nan 8.210 nan 0.000 0.541 326 P HA 0.256 nan 4.420 nan 0.000 0.273 326 P C -2.509 174.849 177.300 0.097 0.000 1.250 326 P CA -1.102 62.038 63.100 0.066 0.000 0.793 326 P CB -0.441 31.274 31.700 0.024 0.000 1.011 327 P HA 0.040 nan 4.420 nan 0.000 0.269 327 P C -0.512 176.863 177.300 0.124 0.000 1.215 327 P CA 0.053 63.225 63.100 0.119 0.000 0.780 327 P CB -0.051 31.699 31.700 0.084 0.000 0.898 328 Y N 1.814 122.124 120.300 0.016 0.000 2.677 328 Y HA -0.017 4.532 4.550 -0.001 0.000 0.335 328 Y C 1.050 176.931 175.900 -0.031 0.000 1.162 328 Y CA 0.758 58.838 58.100 -0.034 0.000 1.483 328 Y CB 0.130 38.570 38.460 -0.033 0.000 1.209 328 Y HN 0.377 nan 8.280 nan 0.000 0.528 329 Q N 4.568 124.065 119.800 -0.505 0.000 2.175 329 Q HA 0.343 4.682 4.340 -0.001 0.000 0.225 329 Q C 0.340 175.979 176.000 -0.601 0.000 0.837 329 Q CA 0.183 55.731 55.803 -0.426 0.000 1.032 329 Q CB 0.539 29.142 28.738 -0.225 0.000 1.137 329 Q HN 1.050 nan 8.270 nan 0.000 0.483 330 G N 0.801 108.838 108.800 -1.271 0.000 2.699 330 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.686 330 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.686 330 G C -1.125 173.557 174.900 -0.363 0.000 1.301 330 G CA -0.959 43.675 45.100 -0.777 0.000 0.816 330 G HN 0.229 nan 8.290 nan 0.000 0.595 331 Y N 1.896 122.116 120.300 -0.133 0.000 2.729 331 Y HA 0.372 4.921 4.550 -0.001 0.000 0.331 331 Y C 0.584 176.448 175.900 -0.061 0.000 1.208 331 Y CA -0.109 57.978 58.100 -0.022 0.000 1.521 331 Y CB 0.559 39.031 38.460 0.020 0.000 1.233 331 Y HN 0.635 nan 8.280 nan 0.000 0.539 332 N N 6.204 124.634 118.700 -0.450 0.000 2.511 332 N HA 0.042 4.781 4.740 -0.001 0.000 0.249 332 N C 0.373 175.448 175.510 -0.725 0.000 0.971 332 N CA -0.314 52.441 53.050 -0.492 0.000 0.938 332 N CB 0.309 38.655 38.487 -0.235 0.000 1.131 332 N HN 0.930 nan 8.380 nan 0.000 0.505 333 N N 1.627 119.812 118.700 -0.859 0.000 2.521 333 N HA -0.056 4.683 4.740 -0.001 0.000 0.188 333 N C -0.122 175.276 175.510 -0.188 0.000 1.146 333 N CA 0.177 52.876 53.050 -0.585 0.000 0.893 333 N CB 0.254 38.527 38.487 -0.358 0.000 0.975 333 N HN 0.151 nan 8.380 nan 0.000 0.451 334 S N 0.319 115.919 115.700 -0.166 0.000 2.575 334 S HA 0.168 4.637 4.470 -0.001 0.000 0.215 334 S C 0.410 174.989 174.600 -0.035 0.000 0.966 334 S CA -0.451 57.706 58.200 -0.071 0.000 0.911 334 S CB 0.442 63.600 63.200 -0.070 0.000 0.780 334 S HN 0.105 nan 8.310 nan 0.000 0.514 335 V N 2.825 122.717 119.914 -0.037 0.000 2.509 335 V HA 0.231 4.350 4.120 -0.001 0.000 0.284 335 V C -0.023 176.116 176.094 0.075 0.000 1.047 335 V CA -0.881 61.427 62.300 0.014 0.000 0.952 335 V CB 1.440 33.270 31.823 0.012 0.000 0.988 335 V HN 0.157 nan 8.190 nan 0.000 0.469 336 D N 7.334 127.785 120.400 0.085 0.000 2.352 336 D HA 0.222 4.861 4.640 -0.001 0.000 0.245 336 D C -1.387 174.989 176.300 0.127 0.000 1.224 336 D CA -1.920 52.150 54.000 0.118 0.000 0.879 336 D CB 1.732 42.611 40.800 0.132 0.000 1.057 336 D HN 0.270 nan 8.370 nan 0.000 0.491 337 P HA 0.018 nan 4.420 nan 0.000 0.240 337 P C 0.231 177.494 177.300 -0.060 0.000 1.190 337 P CA -0.025 63.124 63.100 0.082 0.000 0.781 337 P CB 0.442 32.263 31.700 0.202 0.000 0.931 338 R N 0.458 120.942 120.500 -0.026 0.000 2.697 338 R HA 0.105 4.444 4.340 -0.001 0.000 0.265 338 R C 0.583 176.845 176.300 -0.063 0.000 1.009 338 R CA -0.201 55.863 56.100 -0.061 0.000 1.099 338 R CB 0.217 30.530 30.300 0.020 0.000 0.965 338 R HN 0.061 nan 8.270 nan 0.000 0.428 339 I N 2.469 122.969 120.570 -0.117 0.000 2.471 339 I HA -0.025 4.144 4.170 -0.001 0.000 0.286 339 I C 1.019 177.042 176.117 -0.157 0.000 1.079 339 I CA 0.274 61.477 61.300 -0.162 0.000 1.398 339 I CB 0.785 38.730 38.000 -0.092 0.000 1.403 339 I HN 0.668 nan 8.210 nan 0.000 0.530 340 S N 5.196 120.685 115.700 -0.352 0.000 2.592 340 S HA 0.138 4.607 4.470 -0.001 0.000 0.271 340 S C 1.139 175.553 174.600 -0.311 0.000 1.326 340 S CA -0.605 57.252 58.200 -0.572 0.000 1.024 340 S CB 1.272 63.449 63.200 -1.705 0.000 0.921 340 S HN 0.615 nan 8.310 nan 0.000 0.527 341 N N 1.057 119.654 118.700 -0.172 0.000 2.060 341 N HA -0.149 4.590 4.740 -0.001 0.000 0.195 341 N C 1.587 177.141 175.510 0.072 0.000 1.028 341 N CA 1.622 54.702 53.050 0.050 0.000 0.861 341 N CB -0.693 37.886 38.487 0.153 0.000 1.029 341 N HN 0.568 nan 8.380 nan 0.000 0.428 342 V N 0.520 120.339 119.914 -0.159 0.000 2.809 342 V HA -0.134 3.986 4.120 -0.001 0.000 0.256 342 V C 1.955 177.922 176.094 -0.211 0.000 1.080 342 V CA 1.007 63.160 62.300 -0.244 0.000 1.102 342 V CB -0.717 30.580 31.823 -0.877 0.000 0.705 342 V HN 0.245 nan 8.190 nan 0.000 0.475 343 F N 1.969 121.655 119.950 -0.439 0.000 2.161 343 F HA -0.185 4.342 4.527 -0.001 0.000 0.300 343 F C 2.609 178.324 175.800 -0.141 0.000 1.089 343 F CA 2.245 60.056 58.000 -0.316 0.000 1.282 343 F CB -0.742 38.035 39.000 -0.372 0.000 1.010 343 F HN 0.380 nan 8.300 nan 0.000 0.485 344 T N -2.424 112.031 114.554 -0.165 0.000 3.007 344 T HA -0.166 4.184 4.350 -0.001 0.000 0.270 344 T C 1.609 175.956 174.700 -0.589 0.000 1.107 344 T CA 1.410 63.291 62.100 -0.365 0.000 1.118 344 T CB -0.906 67.737 68.868 -0.376 0.000 0.889 344 T HN 0.286 nan 8.240 nan 0.000 0.506 345 F N 0.862 120.730 119.950 -0.137 0.000 2.553 345 F HA 0.581 5.107 4.527 -0.001 0.000 0.282 345 F C 2.796 178.613 175.800 0.029 0.000 1.089 345 F CA -0.065 57.911 58.000 -0.039 0.000 1.411 345 F CB -0.688 38.303 39.000 -0.016 0.000 1.125 345 F HN 0.169 nan 8.300 nan 0.000 0.610 346 A N 0.390 123.247 122.820 0.062 0.000 1.917 346 A HA -0.257 4.062 4.320 -0.001 0.000 0.219 346 A C 2.046 179.731 177.584 0.170 0.000 1.182 346 A CA 1.644 53.705 52.037 0.041 0.000 0.633 346 A CB -1.209 17.743 19.000 -0.080 0.000 0.819 346 A HN 0.361 nan 8.150 nan 0.000 0.448 347 F N 0.718 120.497 119.950 -0.286 0.000 2.502 347 F HA 0.033 4.559 4.527 -0.001 0.000 0.298 347 F C 1.983 177.576 175.800 -0.346 0.000 1.111 347 F CA 0.445 58.278 58.000 -0.278 0.000 1.445 347 F CB -0.442 38.130 39.000 -0.714 0.000 1.081 347 F HN 0.228 nan 8.300 nan 0.000 0.558 348 R N 0.123 120.557 120.500 -0.109 0.000 2.369 348 R HA -0.162 4.177 4.340 -0.001 0.000 0.200 348 R C 1.919 178.203 176.300 -0.028 0.000 1.046 348 R CA 0.735 56.646 56.100 -0.316 0.000 1.057 348 R CB -1.090 29.110 30.300 -0.166 0.000 0.888 348 R HN 0.421 nan 8.270 nan 0.000 0.474 349 F N -0.759 119.250 119.950 0.098 0.000 2.250 349 F HA -0.024 4.502 4.527 -0.001 0.000 0.301 349 F C 1.884 177.741 175.800 0.096 0.000 1.077 349 F CA 1.050 59.110 58.000 0.100 0.000 1.348 349 F CB -0.795 38.261 39.000 0.093 0.000 1.040 349 F HN -0.123 nan 8.300 nan 0.000 0.509 350 G N -0.616 107.710 108.800 -0.789 0.000 2.484 350 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.218 350 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.218 350 G C 1.181 176.027 174.900 -0.091 0.000 1.130 350 G CA 0.689 45.440 45.100 -0.581 0.000 0.784 350 G HN 0.626 nan 8.290 nan 0.000 0.543 351 H N -0.133 118.931 119.070 -0.010 0.000 2.518 351 H HA 0.060 4.616 4.556 -0.001 0.000 0.289 351 H C 2.137 177.577 175.328 0.186 0.000 1.051 351 H CA 0.631 56.743 56.048 0.106 0.000 1.280 351 H CB 0.053 29.927 29.762 0.186 0.000 1.380 351 H HN 0.364 nan 8.280 nan 0.000 0.566 352 M N -0.236 119.551 119.600 0.311 0.000 2.428 352 M HA 0.041 4.520 4.480 -0.001 0.000 0.239 352 M C 0.740 177.181 176.300 0.234 0.000 1.121 352 M CA 0.643 56.104 55.300 0.268 0.000 1.019 352 M CB 0.509 33.243 32.600 0.224 0.000 1.485 352 M HN 0.249 nan 8.290 nan 0.000 0.484 353 E N 0.441 120.771 120.200 0.216 0.000 2.460 353 E HA 0.108 4.457 4.350 -0.001 0.000 0.200 353 E C 0.018 176.733 176.600 0.191 0.000 1.011 353 E CA -0.082 56.449 56.400 0.218 0.000 0.912 353 E CB 0.883 30.717 29.700 0.224 0.000 0.953 353 E HN 0.169 nan 8.360 nan 0.000 0.494 354 V N 4.913 124.935 119.914 0.179 0.000 2.470 354 V HA 0.101 4.220 4.120 -0.001 0.000 0.276 354 V C -1.837 174.365 176.094 0.180 0.000 1.040 354 V CA -1.188 61.211 62.300 0.165 0.000 1.008 354 V CB 0.211 32.131 31.823 0.162 0.000 0.990 354 V HN 0.070 nan 8.190 nan 0.000 0.477 355 P HA 0.230 nan 4.420 nan 0.000 0.279 355 P C 0.723 178.108 177.300 0.140 0.000 1.276 355 P CA -0.483 62.712 63.100 0.159 0.000 0.801 355 P CB 1.156 32.940 31.700 0.140 0.000 1.127 356 S N -1.563 114.217 115.700 0.134 0.000 2.461 356 S HA 0.029 4.499 4.470 -0.001 0.000 0.228 356 S C 0.873 175.518 174.600 0.076 0.000 1.005 356 S CA 0.870 59.136 58.200 0.110 0.000 0.942 356 S CB -1.071 62.193 63.200 0.106 0.000 0.776 356 S HN 0.769 nan 8.310 nan 0.000 0.514 357 T N -0.887 113.707 114.554 0.067 0.000 2.906 357 T HA 0.723 5.072 4.350 -0.001 0.000 0.295 357 T C -1.042 173.676 174.700 0.029 0.000 1.061 357 T CA -0.782 61.340 62.100 0.036 0.000 1.000 357 T CB 1.917 70.808 68.868 0.039 0.000 1.103 357 T HN 0.018 nan 8.240 nan 0.000 0.486 358 V N 2.377 122.290 119.914 -0.001 0.000 2.487 358 V HA 0.623 4.743 4.120 -0.001 0.000 0.298 358 V C 0.031 176.122 176.094 -0.005 0.000 1.028 358 V CA -0.711 61.587 62.300 -0.004 0.000 0.860 358 V CB 1.879 33.681 31.823 -0.035 0.000 0.991 358 V HN 1.105 nan 8.190 nan 0.000 0.427 359 S N 3.770 119.476 115.700 0.010 0.000 2.509 359 S HA 0.675 5.145 4.470 -0.001 0.000 0.297 359 S C -0.275 174.318 174.600 -0.011 0.000 1.118 359 S CA -0.731 57.478 58.200 0.015 0.000 1.074 359 S CB 1.354 64.576 63.200 0.036 0.000 1.038 359 S HN 0.652 nan 8.310 nan 0.000 0.498 360 R N 1.860 122.362 120.500 0.003 0.000 2.294 360 R HA 0.572 4.911 4.340 -0.001 0.000 0.319 360 R C -0.920 175.375 176.300 -0.008 0.000 0.984 360 R CA -0.126 55.941 56.100 -0.055 0.000 0.861 360 R CB 0.560 30.838 30.300 -0.036 0.000 1.104 360 R HN 0.487 nan 8.270 nan 0.000 0.451 361 L N 2.850 123.990 121.223 -0.139 0.000 2.346 361 L HA 0.442 4.781 4.340 -0.001 0.000 0.274 361 L C -0.130 176.603 176.870 -0.229 0.000 1.007 361 L CA -1.157 53.593 54.840 -0.150 0.000 0.818 361 L CB 1.814 43.724 42.059 -0.248 0.000 1.284 361 L HN 0.697 nan 8.230 nan 0.000 0.424 362 D N 0.580 120.936 120.400 -0.074 0.000 2.451 362 D HA 0.046 4.685 4.640 -0.001 0.000 0.259 362 D C 0.713 176.886 176.300 -0.213 0.000 1.201 362 D CA -0.475 53.517 54.000 -0.015 0.000 1.028 362 D CB 0.576 41.487 40.800 0.184 0.000 1.095 362 D HN 0.504 nan 8.370 nan 0.000 0.539 363 E N -0.617 119.515 120.200 -0.115 0.000 2.284 363 E HA -0.231 4.118 4.350 -0.001 0.000 0.200 363 E C 0.570 177.100 176.600 -0.117 0.000 1.008 363 E CA 1.182 57.509 56.400 -0.121 0.000 0.829 363 E CB -0.507 29.171 29.700 -0.037 0.000 0.744 363 E HN 0.486 nan 8.360 nan 0.000 0.491 364 N N -0.682 117.942 118.700 -0.127 0.000 2.235 364 N HA 0.065 4.804 4.740 -0.001 0.000 0.209 364 N C -0.825 174.469 175.510 -0.359 0.000 1.122 364 N CA -0.144 52.811 53.050 -0.159 0.000 0.845 364 N CB 0.194 38.667 38.487 -0.024 0.000 1.004 364 N HN 0.114 nan 8.380 nan 0.000 0.499 365 Y N -0.328 119.652 120.300 -0.533 0.000 3.929 365 Y HA -0.275 4.274 4.550 -0.001 0.000 0.225 365 Y C -0.085 175.663 175.900 -0.254 0.000 1.200 365 Y CA 0.225 58.027 58.100 -0.496 0.000 1.791 365 Y CB -1.610 36.309 38.460 -0.903 0.000 1.561 365 Y HN 0.223 nan 8.280 nan 0.000 0.657 366 Q N -0.063 119.691 119.800 -0.076 0.000 2.215 366 Q HA 0.444 4.784 4.340 -0.001 0.000 0.256 366 Q C -2.173 173.841 176.000 0.023 0.000 0.972 366 Q CA -2.399 53.400 55.803 -0.007 0.000 0.889 366 Q CB 0.799 29.540 28.738 0.004 0.000 1.281 366 Q HN -0.068 nan 8.270 nan 0.000 0.456 367 P HA -0.115 nan 4.420 nan 0.000 0.261 367 P C -0.812 176.560 177.300 0.120 0.000 1.173 367 P CA 0.411 63.555 63.100 0.074 0.000 0.760 367 P CB 0.235 31.965 31.700 0.049 0.000 0.783 368 W N 5.885 127.155 121.300 -0.050 0.000 2.228 368 W HA 0.492 5.152 4.660 -0.001 0.000 0.364 368 W C 0.492 176.994 176.519 -0.029 0.000 0.917 368 W CA 0.999 58.316 57.345 -0.047 0.000 1.513 368 W CB -0.186 29.238 29.460 -0.060 0.000 1.494 368 W HN 0.789 nan 8.180 nan 0.000 0.346 369 G N 5.310 113.967 108.800 -0.237 0.000 2.631 369 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.504 369 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.504 369 G C -1.500 173.332 174.900 -0.114 0.000 1.306 369 G CA -0.414 44.515 45.100 -0.285 0.000 0.897 369 G HN 0.285 nan 8.290 nan 0.000 0.520 370 P HA 0.097 nan 4.420 nan 0.000 0.225 370 P C 0.659 177.950 177.300 -0.015 0.000 1.156 370 P CA 1.366 64.437 63.100 -0.047 0.000 0.787 370 P CB 0.172 31.843 31.700 -0.049 0.000 0.802 371 E N -0.572 119.624 120.200 -0.007 0.000 2.815 371 E HA 0.357 4.706 4.350 -0.001 0.000 0.211 371 E C 1.274 177.912 176.600 0.063 0.000 1.004 371 E CA -0.326 56.090 56.400 0.026 0.000 1.173 371 E CB 0.366 30.086 29.700 0.034 0.000 1.163 371 E HN 0.085 nan 8.360 nan 0.000 0.449 372 A N 1.489 124.354 122.820 0.075 0.000 1.908 372 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 372 A C 1.274 178.908 177.584 0.082 0.000 1.181 372 A CA 1.123 53.239 52.037 0.131 0.000 0.627 372 A CB -0.041 19.032 19.000 0.122 0.000 0.818 372 A HN 0.301 nan 8.150 nan 0.000 0.445 373 E N -0.122 120.106 120.200 0.048 0.000 2.113 373 E HA 0.559 4.908 4.350 -0.001 0.000 0.273 373 E C -1.354 175.250 176.600 0.007 0.000 0.924 373 E CA -0.453 55.963 56.400 0.028 0.000 0.764 373 E CB 0.538 30.258 29.700 0.034 0.000 1.104 373 E HN 0.394 nan 8.360 nan 0.000 0.406 374 L N 5.543 126.754 121.223 -0.019 0.000 2.342 374 L HA 0.536 4.875 4.340 -0.001 0.000 0.271 374 L C -2.268 174.562 176.870 -0.068 0.000 1.008 374 L CA -2.652 52.155 54.840 -0.055 0.000 0.818 374 L CB 1.886 43.886 42.059 -0.098 0.000 1.296 374 L HN 0.508 nan 8.230 nan 0.000 0.427 375 P HA 0.016 nan 4.420 nan 0.000 0.271 375 P C 0.777 177.964 177.300 -0.189 0.000 1.220 375 P CA -0.292 62.763 63.100 -0.075 0.000 0.768 375 P CB 0.754 32.443 31.700 -0.019 0.000 0.848 376 L N 4.124 125.278 121.223 -0.115 0.000 2.089 376 L HA -0.241 4.098 4.340 -0.001 0.000 0.213 376 L C 2.167 178.681 176.870 -0.593 0.000 1.079 376 L CA 2.248 56.953 54.840 -0.223 0.000 0.758 376 L CB -0.780 41.257 42.059 -0.036 0.000 0.891 376 L HN 0.661 nan 8.230 nan 0.000 0.433 377 H N -1.409 117.411 119.070 -0.416 0.000 2.491 377 H HA -0.094 4.461 4.556 -0.001 0.000 0.290 377 H C 1.691 176.835 175.328 -0.306 0.000 1.050 377 H CA 1.478 57.255 56.048 -0.452 0.000 1.309 377 H CB -0.633 29.178 29.762 0.083 0.000 1.392 377 H HN 0.447 nan 8.280 nan 0.000 0.554 378 T N -1.211 112.825 114.554 -0.864 0.000 3.148 378 T HA 0.169 4.518 4.350 -0.001 0.000 0.253 378 T C 1.618 176.121 174.700 -0.330 0.000 1.134 378 T CA 0.021 61.790 62.100 -0.553 0.000 1.051 378 T CB -0.316 68.252 68.868 -0.500 0.000 0.959 378 T HN 0.342 nan 8.240 nan 0.000 0.525 379 L N -0.524 120.429 121.223 -0.451 0.000 2.858 379 L HA 0.464 4.804 4.340 -0.001 0.000 0.251 379 L C -0.372 176.353 176.870 -0.243 0.000 1.149 379 L CA -0.639 53.995 54.840 -0.343 0.000 0.955 379 L CB 0.227 42.096 42.059 -0.317 0.000 1.289 379 L HN 0.155 nan 8.230 nan 0.000 0.542 380 F N 0.063 120.015 119.950 0.003 0.000 2.484 380 F HA 0.186 4.712 4.527 -0.001 0.000 0.360 380 F C 0.809 176.609 175.800 0.000 0.000 1.101 380 F CA -0.817 57.171 58.000 -0.020 0.000 1.251 380 F CB -0.391 38.707 39.000 0.163 0.000 1.132 380 F HN -0.070 nan 8.300 nan 0.000 0.570 381 F N 0.292 120.310 119.950 0.114 0.000 3.079 381 F HA -0.317 4.209 4.527 -0.001 0.000 0.274 381 F C 0.532 176.293 175.800 -0.065 0.000 0.940 381 F CA 0.350 58.349 58.000 -0.003 0.000 0.932 381 F CB -1.344 37.661 39.000 0.008 0.000 0.891 381 F HN 0.503 nan 8.300 nan 0.000 0.722 382 N N 0.604 119.293 118.700 -0.018 0.000 2.707 382 N HA 0.215 4.955 4.740 -0.001 0.000 0.235 382 N C 0.950 176.338 175.510 -0.202 0.000 1.028 382 N CA 0.536 53.530 53.050 -0.094 0.000 0.906 382 N CB 0.879 39.252 38.487 -0.191 0.000 1.131 382 N HN 0.249 nan 8.380 nan 0.000 0.509 383 T N -0.555 113.884 114.554 -0.191 0.000 3.051 383 T HA -0.011 4.338 4.350 -0.001 0.000 0.255 383 T C 1.858 176.429 174.700 -0.215 0.000 1.085 383 T CA -0.208 61.695 62.100 -0.329 0.000 1.109 383 T CB -0.334 68.161 68.868 -0.622 0.000 0.921 383 T HN 0.615 nan 8.240 nan 0.000 0.488 384 W N 2.462 123.661 121.300 -0.168 0.000 2.374 384 W HA 0.007 4.666 4.660 -0.001 0.000 0.288 384 W C 1.486 177.969 176.519 -0.060 0.000 1.218 384 W CA 0.171 57.449 57.345 -0.111 0.000 1.245 384 W CB -0.693 28.709 29.460 -0.096 0.000 1.126 384 W HN 0.091 nan 8.180 nan 0.000 0.545 385 R N 0.946 120.861 120.500 -0.975 0.000 2.189 385 R HA -0.049 4.291 4.340 -0.001 0.000 0.223 385 R C 2.063 178.158 176.300 -0.342 0.000 1.092 385 R CA 1.227 56.794 56.100 -0.889 0.000 0.989 385 R CB -0.520 29.226 30.300 -0.925 0.000 0.876 385 R HN 0.409 nan 8.270 nan 0.000 0.457 386 I N 0.299 120.733 120.570 -0.228 0.000 2.185 386 I HA -0.212 3.957 4.170 -0.001 0.000 0.235 386 I C 2.166 178.277 176.117 -0.009 0.000 1.069 386 I CA 0.695 61.945 61.300 -0.084 0.000 1.354 386 I CB -0.307 37.680 38.000 -0.022 0.000 1.093 386 I HN -0.071 nan 8.210 nan 0.000 0.411 387 I N 0.983 121.522 120.570 -0.051 0.000 2.151 387 I HA -0.288 3.881 4.170 -0.001 0.000 0.243 387 I C 2.208 178.408 176.117 0.139 0.000 1.080 387 I CA 1.861 63.170 61.300 0.016 0.000 1.339 387 I CB -1.131 36.898 38.000 0.047 0.000 1.039 387 I HN 0.226 nan 8.210 nan 0.000 0.409 388 K N -0.047 120.454 120.400 0.169 0.000 2.374 388 K HA 0.011 4.330 4.320 -0.001 0.000 0.196 388 K C -0.209 176.549 176.600 0.263 0.000 1.023 388 K CA 0.344 56.780 56.287 0.248 0.000 1.103 388 K CB 0.152 32.877 32.500 0.376 0.000 0.848 388 K HN 0.078 nan 8.250 nan 0.000 0.528 389 D N -1.191 119.328 120.400 0.199 0.000 3.060 389 D HA 0.288 4.927 4.640 -0.001 0.000 0.326 389 D C 0.109 176.576 176.300 0.278 0.000 1.253 389 D CA 0.535 54.701 54.000 0.276 0.000 0.737 389 D CB 0.308 41.227 40.800 0.199 0.000 1.260 389 D HN 0.148 nan 8.370 nan 0.000 0.542 390 G N -0.165 108.781 108.800 0.243 0.000 2.255 390 G HA2 0.239 4.198 3.960 -0.001 0.000 0.196 390 G HA3 0.239 4.198 3.960 -0.001 0.000 0.196 390 G C 0.957 175.830 174.900 -0.045 0.000 0.998 390 G CA 0.290 45.405 45.100 0.026 0.000 0.656 390 G HN 1.270 nan 8.290 nan 0.000 0.490 391 G N -0.174 108.655 108.800 0.047 0.000 2.693 391 G HA2 0.047 4.006 3.960 -0.001 0.000 0.226 391 G HA3 0.047 4.006 3.960 -0.001 0.000 0.226 391 G C 0.883 175.796 174.900 0.022 0.000 1.354 391 G CA 0.591 45.769 45.100 0.130 0.000 0.873 391 G HN 1.772 nan 8.290 nan 0.000 0.562 392 I N -3.025 117.578 120.570 0.055 0.000 3.860 392 I HA 0.348 4.517 4.170 -0.001 0.000 0.319 392 I C 1.407 177.480 176.117 -0.074 0.000 1.279 392 I CA 1.136 62.438 61.300 0.003 0.000 1.220 392 I CB 0.143 38.178 38.000 0.058 0.000 1.027 392 I HN 0.282 nan 8.210 nan 0.000 0.428 393 D N 2.930 123.271 120.400 -0.098 0.000 2.084 393 D HA -0.060 4.579 4.640 -0.001 0.000 0.194 393 D C -0.424 175.735 176.300 -0.235 0.000 0.990 393 D CA 1.638 55.557 54.000 -0.134 0.000 0.826 393 D CB -1.460 39.277 40.800 -0.104 0.000 0.971 393 D HN 0.312 nan 8.370 nan 0.000 0.453 394 P HA -0.063 nan 4.420 nan 0.000 0.218 394 P C 1.503 178.620 177.300 -0.305 0.000 1.149 394 P CA 0.809 63.621 63.100 -0.479 0.000 0.817 394 P CB 0.054 31.199 31.700 -0.925 0.000 0.785 395 L N -1.450 119.633 121.223 -0.234 0.000 2.056 395 L HA -0.117 4.222 4.340 -0.001 0.000 0.207 395 L C 2.386 179.221 176.870 -0.058 0.000 1.078 395 L CA 1.147 55.912 54.840 -0.126 0.000 0.749 395 L CB -1.025 40.978 42.059 -0.093 0.000 0.901 395 L HN -0.157 nan 8.230 nan 0.000 0.433 396 V N -0.158 119.728 119.914 -0.048 0.000 2.343 396 V HA -0.271 3.848 4.120 -0.001 0.000 0.247 396 V C 2.627 178.748 176.094 0.045 0.000 1.051 396 V CA 1.688 64.002 62.300 0.023 0.000 1.036 396 V CB -0.563 31.274 31.823 0.024 0.000 0.654 396 V HN 0.397 nan 8.190 nan 0.000 0.451 397 R N -0.086 120.380 120.500 -0.057 0.000 2.096 397 R HA -0.109 4.230 4.340 -0.001 0.000 0.235 397 R C 2.468 178.809 176.300 0.069 0.000 1.127 397 R CA 1.356 57.404 56.100 -0.086 0.000 0.968 397 R CB -0.886 29.041 30.300 -0.622 0.000 0.861 397 R HN 0.603 nan 8.270 nan 0.000 0.440 398 G N 1.649 110.446 108.800 -0.005 0.000 2.553 398 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.218 398 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.218 398 G C 1.411 176.381 174.900 0.117 0.000 1.195 398 G CA 0.914 46.045 45.100 0.052 0.000 0.779 398 G HN 0.165 nan 8.290 nan 0.000 0.577 399 L N -0.038 121.248 121.223 0.104 0.000 2.043 399 L HA -0.132 4.208 4.340 -0.001 0.000 0.212 399 L C 2.936 179.890 176.870 0.140 0.000 1.075 399 L CA 0.928 55.833 54.840 0.109 0.000 0.752 399 L CB -0.417 41.698 42.059 0.093 0.000 0.891 399 L HN 0.224 nan 8.230 nan 0.000 0.432 400 L N -1.014 120.338 121.223 0.216 0.000 2.131 400 L HA -0.063 4.276 4.340 -0.001 0.000 0.206 400 L C 2.512 179.596 176.870 0.356 0.000 1.087 400 L CA 1.008 56.007 54.840 0.266 0.000 0.767 400 L CB -0.573 41.712 42.059 0.376 0.000 0.917 400 L HN 0.188 nan 8.230 nan 0.000 0.441 401 A N -1.523 121.540 122.820 0.406 0.000 2.220 401 A HA 0.135 4.454 4.320 -0.001 0.000 0.211 401 A C 0.853 178.577 177.584 0.233 0.000 1.176 401 A CA 0.174 52.434 52.037 0.371 0.000 0.834 401 A CB 0.169 19.400 19.000 0.384 0.000 0.868 401 A HN -0.009 nan 8.150 nan 0.000 0.488 402 K N 1.334 121.847 120.400 0.188 0.000 2.156 402 K HA 0.378 4.697 4.320 -0.001 0.000 0.250 402 K C -0.970 175.715 176.600 0.142 0.000 0.955 402 K CA -0.723 55.651 56.287 0.145 0.000 0.855 402 K CB 0.855 33.427 32.500 0.121 0.000 1.101 402 K HN 0.177 nan 8.250 nan 0.000 0.434 403 N N 0.112 118.890 118.700 0.130 0.000 2.463 403 N HA 0.203 4.942 4.740 -0.001 0.000 0.270 403 N C -0.059 175.543 175.510 0.152 0.000 1.205 403 N CA -0.197 52.934 53.050 0.135 0.000 0.974 403 N CB 0.706 39.262 38.487 0.115 0.000 1.197 403 N HN 0.336 nan 8.380 nan 0.000 0.504 404 S N -0.010 115.802 115.700 0.186 0.000 2.655 404 S HA 0.151 4.620 4.470 -0.001 0.000 0.265 404 S C 0.436 175.145 174.600 0.183 0.000 1.240 404 S CA -0.552 57.776 58.200 0.213 0.000 0.986 404 S CB 0.791 64.185 63.200 0.323 0.000 0.985 404 S HN 0.411 nan 8.310 nan 0.000 0.562 405 K N 1.001 121.515 120.400 0.190 0.000 2.234 405 K HA 0.301 4.620 4.320 -0.001 0.000 0.282 405 K C -0.740 175.962 176.600 0.169 0.000 1.039 405 K CA -0.560 55.827 56.287 0.167 0.000 0.928 405 K CB 0.369 32.978 32.500 0.182 0.000 1.039 405 K HN 0.374 nan 8.250 nan 0.000 0.470 406 L N 4.698 125.993 121.223 0.121 0.000 2.397 406 L HA 0.157 4.496 4.340 -0.001 0.000 0.271 406 L C 0.103 177.029 176.870 0.093 0.000 1.148 406 L CA 0.150 55.053 54.840 0.106 0.000 0.825 406 L CB 0.881 42.976 42.059 0.060 0.000 1.117 406 L HN 0.728 nan 8.230 nan 0.000 0.456 407 M N 5.078 124.744 119.600 0.111 0.000 2.245 407 M HA 0.132 4.611 4.480 -0.001 0.000 0.344 407 M C -0.644 175.672 176.300 0.027 0.000 1.170 407 M CA 0.650 56.002 55.300 0.085 0.000 1.135 407 M CB 0.005 32.668 32.600 0.105 0.000 1.574 407 M HN 0.757 nan 8.290 nan 0.000 0.452 408 N N 2.830 121.526 118.700 -0.007 0.000 2.324 408 N HA 0.200 4.939 4.740 -0.001 0.000 0.285 408 N C -0.275 175.209 175.510 -0.044 0.000 1.076 408 N CA -0.255 52.770 53.050 -0.043 0.000 0.864 408 N CB 1.540 39.967 38.487 -0.100 0.000 1.632 408 N HN 0.663 nan 8.380 nan 0.000 0.478 409 Q N 0.629 120.407 119.800 -0.037 0.000 2.291 409 Q HA 0.064 4.403 4.340 -0.001 0.000 0.205 409 Q C 0.482 176.466 176.000 -0.027 0.000 0.970 409 Q CA 1.132 56.915 55.803 -0.033 0.000 0.876 409 Q CB 0.269 28.990 28.738 -0.028 0.000 0.935 409 Q HN 0.475 nan 8.270 nan 0.000 0.455 410 N N 0.153 118.827 118.700 -0.043 0.000 2.368 410 N HA 0.041 4.780 4.740 -0.001 0.000 0.178 410 N C -0.303 175.163 175.510 -0.073 0.000 1.076 410 N CA 0.538 53.568 53.050 -0.035 0.000 0.889 410 N CB 0.637 39.103 38.487 -0.036 0.000 1.040 410 N HN 0.044 nan 8.380 nan 0.000 0.463 411 K N 0.624 120.908 120.400 -0.194 0.000 2.624 411 K HA 0.387 4.706 4.320 -0.001 0.000 0.200 411 K C 0.487 176.960 176.600 -0.211 0.000 1.036 411 K CA -0.090 55.878 56.287 -0.531 0.000 1.029 411 K CB 1.488 33.340 32.500 -1.080 0.000 1.317 411 K HN -0.086 nan 8.250 nan 0.000 0.555 412 M N 0.149 119.815 119.600 0.110 0.000 2.121 412 M HA 0.073 4.552 4.480 -0.001 0.000 0.250 412 M C 0.556 177.044 176.300 0.313 0.000 1.120 412 M CA 0.973 56.374 55.300 0.169 0.000 1.141 412 M CB 0.308 32.988 32.600 0.133 0.000 1.254 412 M HN 0.063 nan 8.290 nan 0.000 0.433 413 V N 0.458 120.612 119.914 0.400 0.000 2.555 413 V HA 0.206 4.325 4.120 -0.001 0.000 0.302 413 V C 0.104 176.384 176.094 0.309 0.000 1.038 413 V CA -0.837 61.680 62.300 0.362 0.000 0.887 413 V CB 1.511 33.528 31.823 0.324 0.000 0.991 413 V HN 0.355 nan 8.190 nan 0.000 0.434 414 T N 2.654 117.354 114.554 0.244 0.000 2.932 414 T HA 0.025 4.374 4.350 -0.001 0.000 0.312 414 T C 1.406 176.087 174.700 -0.032 0.000 1.071 414 T CA 0.407 62.516 62.100 0.016 0.000 1.128 414 T CB 0.712 69.659 68.868 0.132 0.000 0.984 414 T HN 0.848 nan 8.240 nan 0.000 0.549 415 S N 3.512 119.123 115.700 -0.148 0.000 2.442 415 S HA -0.085 4.385 4.470 -0.001 0.000 0.236 415 S C 1.857 176.481 174.600 0.041 0.000 1.007 415 S CA 0.592 58.754 58.200 -0.064 0.000 0.965 415 S CB -0.142 62.993 63.200 -0.109 0.000 0.773 415 S HN 0.728 nan 8.310 nan 0.000 0.504 416 E N 1.037 121.288 120.200 0.087 0.000 2.267 416 E HA -0.039 4.310 4.350 -0.001 0.000 0.197 416 E C 1.680 178.480 176.600 0.333 0.000 0.998 416 E CA 0.781 57.303 56.400 0.203 0.000 0.830 416 E CB -0.161 29.657 29.700 0.197 0.000 0.751 416 E HN 0.519 nan 8.360 nan 0.000 0.491 417 L N -0.952 120.410 121.223 0.231 0.000 2.577 417 L HA 0.185 4.524 4.340 -0.001 0.000 0.225 417 L C 2.441 179.378 176.870 0.112 0.000 1.053 417 L CA -0.002 54.948 54.840 0.183 0.000 0.866 417 L CB 0.096 42.223 42.059 0.114 0.000 1.132 417 L HN -0.098 nan 8.230 nan 0.000 0.486 418 R N -0.004 120.556 120.500 0.100 0.000 2.200 418 R HA 0.020 4.359 4.340 -0.001 0.000 0.208 418 R C 1.258 177.598 176.300 0.068 0.000 1.033 418 R CA 0.795 56.944 56.100 0.081 0.000 1.000 418 R CB 0.324 30.670 30.300 0.076 0.000 0.906 418 R HN 0.327 nan 8.270 nan 0.000 0.462 419 N N -0.685 118.054 118.700 0.065 0.000 2.325 419 N HA 0.058 4.797 4.740 -0.001 0.000 0.220 419 N C -0.010 175.552 175.510 0.086 0.000 1.176 419 N CA 0.404 53.480 53.050 0.042 0.000 0.861 419 N CB 0.866 39.346 38.487 -0.012 0.000 1.230 419 N HN 0.035 nan 8.380 nan 0.000 0.479 420 K N 0.812 121.307 120.400 0.158 0.000 2.646 420 K HA 0.228 4.547 4.320 -0.001 0.000 0.206 420 K C -0.259 176.645 176.600 0.506 0.000 1.069 420 K CA -0.364 56.080 56.287 0.262 0.000 1.067 420 K CB 1.022 33.584 32.500 0.105 0.000 0.807 420 K HN -0.067 nan 8.250 nan 0.000 0.482 421 L N 1.250 122.694 121.223 0.367 0.000 2.456 421 L HA 0.210 4.549 4.340 -0.001 0.000 0.272 421 L C -0.444 176.602 176.870 0.293 0.000 1.189 421 L CA 0.093 55.063 54.840 0.217 0.000 0.846 421 L CB 0.168 42.222 42.059 -0.008 0.000 1.111 421 L HN 0.022 nan 8.230 nan 0.000 0.475 422 F N 4.272 124.234 119.950 0.020 0.000 2.421 422 F HA 0.458 4.985 4.527 -0.001 0.000 0.337 422 F C -0.185 175.558 175.800 -0.096 0.000 1.105 422 F CA -0.300 57.691 58.000 -0.015 0.000 1.049 422 F CB 0.971 39.965 39.000 -0.010 0.000 1.139 422 F HN 0.461 nan 8.300 nan 0.000 0.479 423 Q N 6.909 126.307 119.800 -0.670 0.000 2.312 423 Q HA 0.266 4.605 4.340 -0.001 0.000 0.263 423 Q C -1.987 173.520 176.000 -0.822 0.000 0.995 423 Q CA -1.855 53.580 55.803 -0.613 0.000 0.853 423 Q CB 1.850 30.117 28.738 -0.786 0.000 1.300 423 Q HN 0.406 nan 8.270 nan 0.000 0.448 424 P HA -0.184 nan 4.420 nan 0.000 0.216 424 P C 0.971 177.885 177.300 -0.644 0.000 1.157 424 P CA 1.803 64.431 63.100 -0.787 0.000 0.880 424 P CB 0.223 31.575 31.700 -0.580 0.000 0.791 425 T N -2.087 112.065 114.554 -0.669 0.000 2.951 425 T HA -0.055 4.294 4.350 -0.001 0.000 0.268 425 T C 0.905 175.097 174.700 -0.847 0.000 1.073 425 T CA 1.064 62.711 62.100 -0.754 0.000 1.134 425 T CB -0.557 67.766 68.868 -0.909 0.000 0.884 425 T HN 0.231 nan 8.240 nan 0.000 0.479 426 H N 0.420 119.178 119.070 -0.521 0.000 2.585 426 H HA 0.469 5.024 4.556 -0.001 0.000 0.338 426 H C 0.782 175.726 175.328 -0.640 0.000 1.295 426 H CA -0.557 55.241 56.048 -0.417 0.000 1.356 426 H CB 1.421 31.088 29.762 -0.158 0.000 1.736 426 H HN 0.066 nan 8.280 nan 0.000 0.629 427 K N 0.022 120.281 120.400 -0.235 0.000 2.399 427 K HA 0.190 4.510 4.320 -0.001 0.000 0.196 427 K C 0.481 177.176 176.600 0.159 0.000 1.117 427 K CA 0.067 56.218 56.287 -0.227 0.000 0.965 427 K CB 0.727 33.235 32.500 0.013 0.000 0.983 427 K HN 0.076 nan 8.250 nan 0.000 0.531 428 V N 2.253 122.250 119.914 0.138 0.000 2.963 428 V HA -0.050 4.069 4.120 -0.001 0.000 0.306 428 V C 0.076 176.376 176.094 0.343 0.000 1.077 428 V CA 0.067 62.512 62.300 0.243 0.000 1.124 428 V CB 0.489 32.376 31.823 0.105 0.000 0.987 428 V HN 0.251 nan 8.190 nan 0.000 0.487 429 H N 2.155 121.448 119.070 0.372 0.000 2.588 429 H HA 0.467 5.022 4.556 -0.001 0.000 0.223 429 H C 0.855 176.338 175.328 0.258 0.000 1.804 429 H CA 0.439 56.758 56.048 0.452 0.000 1.269 429 H CB 0.260 30.301 29.762 0.466 0.000 1.670 429 H HN 0.796 nan 8.280 nan 0.000 0.539 430 G N 0.512 109.461 108.800 0.247 0.000 4.008 430 G HA2 0.072 4.031 3.960 -0.001 0.000 0.278 430 G HA3 0.072 4.031 3.960 -0.001 0.000 0.278 430 G C -0.260 174.579 174.900 -0.102 0.000 1.021 430 G CA -0.168 44.949 45.100 0.029 0.000 0.833 430 G HN 0.173 nan 8.290 nan 0.000 0.454 431 F N 0.707 120.683 119.950 0.043 0.000 2.368 431 F HA 0.552 5.078 4.527 -0.002 0.000 0.315 431 F C 0.015 175.831 175.800 0.027 0.000 1.145 431 F CA -0.782 57.228 58.000 0.015 0.000 1.095 431 F CB 1.461 40.439 39.000 -0.037 0.000 1.286 431 F HN -0.105 nan 8.300 nan 0.000 0.530 432 D N 1.588 122.115 120.400 0.211 0.000 2.440 432 D HA 0.157 4.796 4.640 -0.001 0.000 0.252 432 D C 0.578 176.915 176.300 0.062 0.000 1.180 432 D CA -0.381 53.686 54.000 0.113 0.000 0.894 432 D CB 1.072 41.928 40.800 0.093 0.000 1.111 432 D HN 0.358 nan 8.370 nan 0.000 0.544 433 L N 4.319 125.544 121.223 0.004 0.000 2.081 433 L HA -0.088 4.251 4.340 -0.001 0.000 0.212 433 L C 1.993 178.772 176.870 -0.153 0.000 1.080 433 L CA 2.490 57.264 54.840 -0.110 0.000 0.754 433 L CB -0.592 41.335 42.059 -0.220 0.000 0.893 433 L HN 0.514 nan 8.230 nan 0.000 0.433 434 A N -0.873 121.915 122.820 -0.052 0.000 1.873 434 A HA -0.078 4.241 4.320 -0.001 0.000 0.215 434 A C 2.444 179.954 177.584 -0.122 0.000 1.186 434 A CA 1.778 53.769 52.037 -0.077 0.000 0.616 434 A CB -1.117 18.045 19.000 0.270 0.000 0.823 434 A HN 0.537 nan 8.150 nan 0.000 0.442 435 A N -0.127 122.681 122.820 -0.020 0.000 1.930 435 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 435 A C 2.111 179.633 177.584 -0.103 0.000 1.175 435 A CA 1.436 53.450 52.037 -0.037 0.000 0.627 435 A CB -0.605 18.389 19.000 -0.011 0.000 0.815 435 A HN 0.497 nan 8.150 nan 0.000 0.443 436 I N -0.067 120.473 120.570 -0.050 0.000 2.208 436 I HA -0.314 3.856 4.170 -0.001 0.000 0.245 436 I C 2.323 178.446 176.117 0.010 0.000 1.097 436 I CA 1.681 63.010 61.300 0.048 0.000 1.363 436 I CB -0.578 37.504 38.000 0.138 0.000 1.051 436 I HN 0.465 nan 8.210 nan 0.000 0.413 437 N N 0.638 119.226 118.700 -0.186 0.000 2.084 437 N HA -0.158 4.581 4.740 -0.001 0.000 0.190 437 N C 1.986 177.402 175.510 -0.157 0.000 1.030 437 N CA 0.996 53.864 53.050 -0.303 0.000 0.849 437 N CB -0.038 37.823 38.487 -1.044 0.000 1.012 437 N HN 0.243 nan 8.380 nan 0.000 0.423 438 L N 0.696 121.828 121.223 -0.152 0.000 2.027 438 L HA -0.190 4.149 4.340 -0.001 0.000 0.206 438 L C 2.613 179.479 176.870 -0.008 0.000 1.074 438 L CA 1.064 55.922 54.840 0.030 0.000 0.745 438 L CB -0.371 41.763 42.059 0.124 0.000 0.898 438 L HN 0.184 nan 8.230 nan 0.000 0.433 439 Q N 0.126 119.840 119.800 -0.144 0.000 2.135 439 Q HA -0.263 4.077 4.340 -0.001 0.000 0.204 439 Q C 2.195 178.166 176.000 -0.048 0.000 0.981 439 Q CA 1.669 57.284 55.803 -0.313 0.000 0.856 439 Q CB -0.047 28.131 28.738 -0.933 0.000 0.902 439 Q HN 0.127 nan 8.270 nan 0.000 0.425 440 R N -0.995 119.583 120.500 0.130 0.000 2.090 440 R HA -0.016 4.323 4.340 -0.001 0.000 0.228 440 R C 2.103 178.542 176.300 0.232 0.000 1.110 440 R CA 1.463 57.813 56.100 0.416 0.000 0.973 440 R CB -0.894 29.681 30.300 0.458 0.000 0.869 440 R HN 0.411 nan 8.270 nan 0.000 0.440 441 C N 0.215 119.449 119.300 -0.111 0.000 2.376 441 C HA -0.144 4.315 4.460 -0.001 0.000 0.275 441 C C 2.507 177.436 174.990 -0.103 0.000 1.200 441 C CA 1.411 60.093 59.018 -0.561 0.000 1.756 441 C CB -0.918 26.604 27.740 -0.364 0.000 2.050 441 C HN 0.528 nan 8.230 nan 0.000 0.460 442 R N 0.526 121.090 120.500 0.106 0.000 2.081 442 R HA -0.142 4.197 4.340 -0.001 0.000 0.235 442 R C 1.892 178.380 176.300 0.313 0.000 1.131 442 R CA 1.870 58.111 56.100 0.236 0.000 0.960 442 R CB -0.568 29.935 30.300 0.338 0.000 0.856 442 R HN 0.558 nan 8.270 nan 0.000 0.436 443 D N 0.277 120.951 120.400 0.456 0.000 2.123 443 D HA -0.183 4.456 4.640 -0.001 0.000 0.196 443 D C 1.348 177.963 176.300 0.526 0.000 0.992 443 D CA 1.349 55.683 54.000 0.556 0.000 0.833 443 D CB -0.067 41.193 40.800 0.767 0.000 0.954 443 D HN 0.396 nan 8.370 nan 0.000 0.455 444 H N -1.376 117.868 119.070 0.290 0.000 2.547 444 H HA 0.206 4.761 4.556 -0.001 0.000 0.266 444 H C 1.089 176.435 175.328 0.030 0.000 0.988 444 H CA 0.259 56.456 56.048 0.247 0.000 1.147 444 H CB 0.253 30.232 29.762 0.362 0.000 1.365 444 H HN 0.302 nan 8.280 nan 0.000 0.589 445 G N 1.634 110.361 108.800 -0.121 0.000 2.221 445 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.265 445 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.265 445 G C 0.287 175.050 174.900 -0.229 0.000 1.041 445 G CA -0.125 44.575 45.100 -0.666 0.000 0.807 445 G HN 0.133 nan 8.290 nan 0.000 0.502 446 M N 0.283 119.851 119.600 -0.053 0.000 2.269 446 M HA 0.166 4.645 4.480 -0.001 0.000 0.350 446 M C -1.710 174.647 176.300 0.095 0.000 1.429 446 M CA -1.843 53.494 55.300 0.061 0.000 1.063 446 M CB -0.240 32.334 32.600 -0.044 0.000 1.841 446 M HN -0.006 nan 8.290 nan 0.000 0.455 447 P HA 0.111 nan 4.420 nan 0.000 0.269 447 P C 0.453 177.799 177.300 0.078 0.000 1.209 447 P CA -0.046 63.025 63.100 -0.049 0.000 0.776 447 P CB 0.447 31.899 31.700 -0.413 0.000 0.876 448 G N 0.849 109.658 108.800 0.014 0.000 2.661 448 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.272 448 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.272 448 G C 0.413 175.446 174.900 0.223 0.000 1.296 448 G CA -0.033 45.127 45.100 0.100 0.000 0.998 448 G HN 0.479 nan 8.290 nan 0.000 0.553 449 Y N 0.183 120.533 120.300 0.083 0.000 2.114 449 Y HA -0.162 4.387 4.550 -0.001 0.000 0.284 449 Y C 2.726 178.698 175.900 0.120 0.000 1.143 449 Y CA 2.376 60.550 58.100 0.123 0.000 1.135 449 Y CB -0.224 38.234 38.460 -0.003 0.000 0.980 449 Y HN 0.399 nan 8.280 nan 0.000 0.499 450 N N -0.380 118.313 118.700 -0.013 0.000 2.289 450 N HA -0.162 4.577 4.740 -0.001 0.000 0.184 450 N C 2.066 177.513 175.510 -0.105 0.000 1.016 450 N CA 1.284 54.259 53.050 -0.125 0.000 0.872 450 N CB -0.455 38.017 38.487 -0.027 0.000 0.973 450 N HN 0.332 nan 8.380 nan 0.000 0.433 451 S N -0.868 114.758 115.700 -0.123 0.000 2.402 451 S HA -0.058 4.411 4.470 -0.001 0.000 0.229 451 S C 1.502 175.920 174.600 -0.303 0.000 1.021 451 S CA 0.842 58.892 58.200 -0.250 0.000 0.974 451 S CB -0.102 62.870 63.200 -0.381 0.000 0.800 451 S HN 0.464 nan 8.310 nan 0.000 0.484 452 W N 1.155 122.449 121.300 -0.009 0.000 2.539 452 W HA 0.207 4.866 4.660 -0.001 0.000 0.281 452 W C 2.476 179.022 176.519 0.045 0.000 1.220 452 W CA -0.368 57.001 57.345 0.040 0.000 1.332 452 W CB -0.098 29.370 29.460 0.013 0.000 1.095 452 W HN 0.026 nan 8.180 nan 0.000 0.571 453 R N 0.399 120.944 120.500 0.076 0.000 2.103 453 R HA -0.141 4.198 4.340 -0.001 0.000 0.242 453 R C 2.223 178.553 176.300 0.050 0.000 1.142 453 R CA 1.667 57.747 56.100 -0.034 0.000 0.960 453 R CB -1.563 28.580 30.300 -0.262 0.000 0.858 453 R HN 0.368 nan 8.270 nan 0.000 0.439 454 G N 0.271 109.095 108.800 0.040 0.000 2.433 454 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.216 454 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.216 454 G C 1.395 176.361 174.900 0.110 0.000 1.186 454 G CA 0.561 45.688 45.100 0.045 0.000 0.779 454 G HN 0.353 nan 8.290 nan 0.000 0.543 455 F N 0.819 120.785 119.950 0.026 0.000 2.236 455 F HA -0.163 4.363 4.527 -0.001 0.000 0.302 455 F C 2.068 177.940 175.800 0.121 0.000 1.073 455 F CA 1.332 59.386 58.000 0.090 0.000 1.336 455 F CB -0.033 39.087 39.000 0.200 0.000 1.040 455 F HN 0.164 nan 8.300 nan 0.000 0.507 456 c N 0.683 119.408 118.600 0.207 0.000 2.791 456 c HA 0.435 5.004 4.570 -0.001 0.000 0.270 456 c C 1.533 175.695 174.090 0.121 0.000 1.257 456 c CA 0.491 56.902 56.329 0.136 0.000 1.699 456 c CB -1.180 41.457 42.510 0.212 0.000 1.904 456 c HN 0.841 nan 8.230 nan 0.000 0.603 457 G N 1.475 110.310 108.800 0.059 0.000 2.256 457 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.272 457 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.272 457 G C -0.321 174.613 174.900 0.056 0.000 1.076 457 G CA 0.099 45.226 45.100 0.045 0.000 0.882 457 G HN 0.526 nan 8.290 nan 0.000 0.497 458 L N 0.078 121.331 121.223 0.050 0.000 2.323 458 L HA 0.701 5.040 4.340 -0.001 0.000 0.265 458 L C 1.258 178.132 176.870 0.007 0.000 1.012 458 L CA -0.691 54.170 54.840 0.036 0.000 0.820 458 L CB 1.916 43.999 42.059 0.040 0.000 1.334 458 L HN 0.415 nan 8.230 nan 0.000 0.427 459 S N 0.465 116.168 115.700 0.005 0.000 2.573 459 S HA 0.136 4.605 4.470 -0.001 0.000 0.277 459 S C -0.357 174.229 174.600 -0.024 0.000 1.346 459 S CA -0.481 57.718 58.200 -0.001 0.000 1.034 459 S CB 0.574 63.781 63.200 0.011 0.000 0.879 459 S HN 0.608 nan 8.310 nan 0.000 0.528 460 Q N 2.165 121.954 119.800 -0.018 0.000 2.508 460 Q HA 0.353 4.692 4.340 -0.001 0.000 0.247 460 Q C -2.469 173.537 176.000 0.010 0.000 1.047 460 Q CA -1.965 53.820 55.803 -0.029 0.000 0.783 460 Q CB 1.220 29.941 28.738 -0.029 0.000 1.172 460 Q HN 0.591 nan 8.270 nan 0.000 0.515 461 P HA 0.016 nan 4.420 nan 0.000 0.271 461 P C -0.167 177.167 177.300 0.056 0.000 1.216 461 P CA -0.147 62.987 63.100 0.057 0.000 0.776 461 P CB 1.315 33.070 31.700 0.091 0.000 0.881 462 K N 0.319 120.744 120.400 0.042 0.000 2.399 462 K HA 0.130 4.449 4.320 -0.001 0.000 0.196 462 K C 0.987 177.606 176.600 0.033 0.000 1.103 462 K CA 0.676 56.987 56.287 0.040 0.000 0.986 462 K CB 0.306 32.828 32.500 0.036 0.000 0.952 462 K HN 0.608 nan 8.250 nan 0.000 0.541 463 T N -2.246 112.326 114.554 0.029 0.000 2.942 463 T HA 0.368 4.717 4.350 -0.001 0.000 0.289 463 T C 1.236 175.946 174.700 0.017 0.000 1.044 463 T CA -0.820 61.293 62.100 0.021 0.000 1.023 463 T CB 1.696 70.576 68.868 0.020 0.000 1.123 463 T HN -0.100 nan 8.240 nan 0.000 0.512 464 L N 0.167 121.395 121.223 0.009 0.000 2.013 464 L HA -0.111 4.229 4.340 -0.001 0.000 0.212 464 L C 2.628 179.504 176.870 0.011 0.000 1.073 464 L CA 1.730 56.574 54.840 0.006 0.000 0.753 464 L CB -0.348 41.713 42.059 0.002 0.000 0.890 464 L HN 0.721 nan 8.230 nan 0.000 0.432 465 K N -0.031 120.377 120.400 0.013 0.000 2.097 465 K HA -0.100 4.219 4.320 -0.001 0.000 0.206 465 K C 1.812 178.423 176.600 0.019 0.000 1.049 465 K CA 1.358 57.654 56.287 0.014 0.000 0.933 465 K CB -0.697 31.811 32.500 0.013 0.000 0.717 465 K HN 0.412 nan 8.250 nan 0.000 0.442 466 G N 0.309 109.123 108.800 0.024 0.000 2.402 466 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.216 466 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.216 466 G C 1.390 176.315 174.900 0.042 0.000 1.162 466 G CA 0.709 45.828 45.100 0.031 0.000 0.777 466 G HN 0.281 nan 8.290 nan 0.000 0.539 467 L N 0.476 121.724 121.223 0.041 0.000 2.027 467 L HA 0.011 4.350 4.340 -0.001 0.000 0.206 467 L C 2.926 179.813 176.870 0.029 0.000 1.074 467 L CA 1.814 56.681 54.840 0.045 0.000 0.745 467 L CB -0.691 41.383 42.059 0.023 0.000 0.898 467 L HN 0.285 nan 8.230 nan 0.000 0.433 468 Q N -0.950 118.860 119.800 0.017 0.000 2.197 468 Q HA -0.232 4.107 4.340 -0.001 0.000 0.207 468 Q C 2.160 178.170 176.000 0.017 0.000 0.984 468 Q CA 1.610 57.420 55.803 0.012 0.000 0.869 468 Q CB -0.308 28.436 28.738 0.009 0.000 0.906 468 Q HN 0.698 nan 8.270 nan 0.000 0.426 469 A N 0.063 122.896 122.820 0.023 0.000 1.872 469 A HA -0.108 4.211 4.320 -0.001 0.000 0.214 469 A C 2.305 179.908 177.584 0.032 0.000 1.187 469 A CA 1.132 53.184 52.037 0.024 0.000 0.614 469 A CB -0.610 18.404 19.000 0.024 0.000 0.826 469 A HN 0.195 nan 8.150 nan 0.000 0.442 470 V N -0.103 119.839 119.914 0.047 0.000 2.255 470 V HA -0.227 3.892 4.120 -0.001 0.000 0.247 470 V C 2.352 178.477 176.094 0.052 0.000 1.051 470 V CA 1.886 64.226 62.300 0.066 0.000 1.018 470 V CB -0.748 31.145 31.823 0.117 0.000 0.641 470 V HN 0.460 nan 8.190 nan 0.000 0.445 471 L N -0.645 120.599 121.223 0.035 0.000 2.478 471 L HA 0.092 4.431 4.340 -0.001 0.000 0.223 471 L C 1.388 178.262 176.870 0.007 0.000 1.140 471 L CA 0.861 55.708 54.840 0.012 0.000 0.842 471 L CB -1.377 40.673 42.059 -0.014 0.000 0.953 471 L HN 0.418 nan 8.230 nan 0.000 0.452 472 K N 0.292 120.699 120.400 0.012 0.000 2.975 472 K HA -0.249 4.071 4.320 -0.001 0.000 0.257 472 K C 0.189 176.790 176.600 0.002 0.000 1.005 472 K CA 0.724 57.016 56.287 0.008 0.000 0.738 472 K CB -1.385 31.120 32.500 0.008 0.000 1.236 472 K HN 0.310 nan 8.250 nan 0.000 0.483 473 N N 0.256 118.955 118.700 -0.001 0.000 2.571 473 N HA 0.170 4.909 4.740 -0.001 0.000 0.286 473 N C 0.169 175.676 175.510 -0.004 0.000 1.138 473 N CA -0.501 52.547 53.050 -0.004 0.000 0.859 473 N CB 1.532 40.013 38.487 -0.010 0.000 1.414 473 N HN -0.053 nan 8.380 nan 0.000 0.529 474 K N 1.487 121.886 120.400 -0.001 0.000 2.063 474 K HA -0.039 4.280 4.320 -0.001 0.000 0.208 474 K C 1.450 178.050 176.600 -0.000 0.000 1.048 474 K CA 1.680 57.968 56.287 0.001 0.000 0.928 474 K CB 0.131 32.632 32.500 0.002 0.000 0.713 474 K HN 0.399 nan 8.250 nan 0.000 0.442 475 V N 0.406 120.320 119.914 -0.000 0.000 2.302 475 V HA -0.173 3.947 4.120 -0.001 0.000 0.243 475 V C 2.090 178.184 176.094 0.000 0.000 1.036 475 V CA 1.383 63.684 62.300 0.002 0.000 1.020 475 V CB -0.537 31.289 31.823 0.004 0.000 0.657 475 V HN 0.271 nan 8.190 nan 0.000 0.453 476 L N 1.166 122.386 121.223 -0.005 0.000 2.013 476 L HA -0.182 4.157 4.340 -0.001 0.000 0.212 476 L C 2.491 179.350 176.870 -0.017 0.000 1.073 476 L CA 2.503 57.336 54.840 -0.011 0.000 0.753 476 L CB -1.024 41.021 42.059 -0.023 0.000 0.890 476 L HN 0.251 nan 8.230 nan 0.000 0.432 477 A N -0.676 122.132 122.820 -0.020 0.000 1.892 477 A HA -0.321 3.998 4.320 -0.001 0.000 0.218 477 A C 2.495 180.072 177.584 -0.011 0.000 1.188 477 A CA 2.311 54.334 52.037 -0.023 0.000 0.631 477 A CB -0.720 18.272 19.000 -0.014 0.000 0.822 477 A HN 0.538 nan 8.150 nan 0.000 0.447 478 K N -0.446 119.951 120.400 -0.004 0.000 2.057 478 K HA -0.114 4.205 4.320 -0.001 0.000 0.206 478 K C 2.075 178.678 176.600 0.005 0.000 1.050 478 K CA 1.466 57.753 56.287 -0.001 0.000 0.935 478 K CB -0.167 32.333 32.500 0.001 0.000 0.715 478 K HN 0.389 nan 8.250 nan 0.000 0.439 479 K N 0.264 120.670 120.400 0.009 0.000 2.147 479 K HA -0.121 4.198 4.320 -0.001 0.000 0.205 479 K C 1.946 178.570 176.600 0.040 0.000 1.049 479 K CA 0.692 56.990 56.287 0.019 0.000 0.936 479 K CB 0.024 32.537 32.500 0.021 0.000 0.722 479 K HN 0.110 nan 8.250 nan 0.000 0.446 480 L N 0.789 122.039 121.223 0.045 0.000 2.131 480 L HA -0.034 4.305 4.340 -0.001 0.000 0.206 480 L C 1.902 178.863 176.870 0.151 0.000 1.087 480 L CA 1.355 56.259 54.840 0.106 0.000 0.767 480 L CB -0.463 41.596 42.059 0.001 0.000 0.917 480 L HN 0.136 nan 8.230 nan 0.000 0.441 481 L N -1.116 120.138 121.223 0.051 0.000 2.240 481 L HA -0.123 4.216 4.340 -0.001 0.000 0.211 481 L C 1.921 178.781 176.870 -0.017 0.000 1.106 481 L CA 0.461 55.311 54.840 0.016 0.000 0.793 481 L CB -0.445 41.600 42.059 -0.024 0.000 0.927 481 L HN 0.198 nan 8.230 nan 0.000 0.446 482 D N 0.371 120.766 120.400 -0.009 0.000 2.178 482 D HA -0.141 4.498 4.640 -0.001 0.000 0.201 482 D C 2.276 178.545 176.300 -0.051 0.000 0.980 482 D CA 1.267 55.250 54.000 -0.028 0.000 0.842 482 D CB 0.114 40.906 40.800 -0.014 0.000 0.948 482 D HN 0.279 nan 8.370 nan 0.000 0.472 483 L N -1.379 119.813 121.223 -0.051 0.000 2.168 483 L HA -0.032 4.307 4.340 -0.001 0.000 0.203 483 L C 1.724 178.429 176.870 -0.275 0.000 1.078 483 L CA 0.550 55.290 54.840 -0.166 0.000 0.780 483 L CB -0.073 41.861 42.059 -0.209 0.000 0.939 483 L HN 0.000 nan 8.230 nan 0.000 0.451 484 Y N -0.640 119.609 120.300 -0.086 0.000 2.497 484 Y HA 0.039 4.588 4.550 -0.001 0.000 0.265 484 Y C 1.180 176.931 175.900 -0.249 0.000 1.111 484 Y CA -0.347 57.685 58.100 -0.112 0.000 1.288 484 Y CB 0.395 38.803 38.460 -0.086 0.000 1.082 484 Y HN -0.046 nan 8.280 nan 0.000 0.536 485 K N -0.583 119.701 120.400 -0.193 0.000 3.564 485 K HA -0.263 4.056 4.320 -0.001 0.000 0.278 485 K C 0.358 176.633 176.600 -0.541 0.000 1.048 485 K CA 1.709 57.691 56.287 -0.509 0.000 1.109 485 K CB -1.863 30.004 32.500 -1.054 0.000 1.405 485 K HN 0.376 nan 8.250 nan 0.000 0.452 486 T N -0.784 113.578 114.554 -0.320 0.000 3.012 486 T HA 0.437 4.786 4.350 -0.001 0.000 0.330 486 T C -2.638 172.044 174.700 -0.032 0.000 1.321 486 T CA -1.155 60.855 62.100 -0.149 0.000 1.067 486 T CB 2.115 70.938 68.868 -0.076 0.000 1.235 486 T HN -0.256 nan 8.240 nan 0.000 0.479 487 P HA 0.029 nan 4.420 nan 0.000 0.225 487 P C 0.706 178.059 177.300 0.087 0.000 1.148 487 P CA 0.698 63.824 63.100 0.042 0.000 0.779 487 P CB 0.179 31.943 31.700 0.106 0.000 0.780 488 D N -0.986 119.452 120.400 0.064 0.000 2.218 488 D HA -0.109 4.531 4.640 -0.001 0.000 0.204 488 D C 1.337 177.659 176.300 0.037 0.000 0.976 488 D CA 1.100 55.133 54.000 0.055 0.000 0.853 488 D CB -0.522 40.310 40.800 0.053 0.000 0.939 488 D HN 0.149 nan 8.370 nan 0.000 0.481 489 N N -0.346 118.376 118.700 0.038 0.000 2.356 489 N HA 0.125 4.865 4.740 -0.001 0.000 0.178 489 N C 0.194 175.710 175.510 0.010 0.000 1.075 489 N CA -0.125 52.960 53.050 0.058 0.000 0.889 489 N CB 0.402 38.977 38.487 0.147 0.000 0.999 489 N HN 0.183 nan 8.380 nan 0.000 0.464 490 I N 2.486 122.882 120.570 -0.291 0.000 2.943 490 I HA -0.133 4.036 4.170 -0.001 0.000 0.296 490 I C 0.118 176.039 176.117 -0.326 0.000 1.220 490 I CA 0.492 61.269 61.300 -0.872 0.000 1.409 490 I CB 0.058 37.620 38.000 -0.729 0.000 1.374 490 I HN 0.008 nan 8.210 nan 0.000 0.545 491 D N 6.252 126.526 120.400 -0.211 0.000 2.472 491 D HA -0.073 4.566 4.640 -0.001 0.000 0.237 491 D C 1.184 177.519 176.300 0.059 0.000 1.141 491 D CA -0.058 53.973 54.000 0.051 0.000 0.875 491 D CB 1.437 42.346 40.800 0.180 0.000 1.192 491 D HN 0.476 nan 8.370 nan 0.000 0.450 492 I N 2.584 123.226 120.570 0.119 0.000 2.194 492 I HA -0.232 3.938 4.170 -0.001 0.000 0.246 492 I C 1.878 178.072 176.117 0.130 0.000 1.093 492 I CA 1.362 62.745 61.300 0.139 0.000 1.355 492 I CB -0.256 37.763 38.000 0.031 0.000 1.046 492 I HN 0.637 nan 8.210 nan 0.000 0.413 493 W N 0.993 122.292 121.300 -0.001 0.000 2.332 493 W HA -0.247 4.412 4.660 -0.001 0.000 0.321 493 W C 2.448 178.998 176.519 0.053 0.000 1.219 493 W CA 2.523 59.907 57.345 0.065 0.000 1.277 493 W CB -0.653 28.881 29.460 0.123 0.000 1.161 493 W HN 0.248 nan 8.180 nan 0.000 0.476 494 I N 0.501 121.033 120.570 -0.063 0.000 2.546 494 I HA -0.037 4.132 4.170 -0.001 0.000 0.255 494 I C 2.361 178.283 176.117 -0.325 0.000 1.163 494 I CA 1.747 62.841 61.300 -0.344 0.000 1.457 494 I CB -0.894 37.050 38.000 -0.094 0.000 1.092 494 I HN 0.134 nan 8.210 nan 0.000 0.434 495 G N 0.177 108.809 108.800 -0.280 0.000 2.433 495 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.216 495 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.216 495 G C 1.617 176.415 174.900 -0.169 0.000 1.186 495 G CA 0.707 45.534 45.100 -0.454 0.000 0.779 495 G HN 0.505 nan 8.290 nan 0.000 0.543 496 G N 0.986 109.780 108.800 -0.009 0.000 2.514 496 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.217 496 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.217 496 G C 1.655 176.511 174.900 -0.074 0.000 1.198 496 G CA 1.217 46.328 45.100 0.017 0.000 0.780 496 G HN 0.530 nan 8.290 nan 0.000 0.565 497 N N 0.694 119.266 118.700 -0.214 0.000 2.515 497 N HA 0.241 4.981 4.740 -0.001 0.000 0.185 497 N C 2.024 177.434 175.510 -0.167 0.000 1.109 497 N CA 0.595 53.520 53.050 -0.208 0.000 0.903 497 N CB 0.061 38.328 38.487 -0.367 0.000 0.969 497 N HN 0.364 nan 8.380 nan 0.000 0.450 498 A N 0.482 123.194 122.820 -0.179 0.000 2.123 498 A HA 0.022 4.341 4.320 -0.001 0.000 0.214 498 A C 0.627 178.165 177.584 -0.078 0.000 1.152 498 A CA 0.329 52.283 52.037 -0.139 0.000 0.728 498 A CB 0.065 18.955 19.000 -0.184 0.000 0.814 498 A HN 0.238 nan 8.150 nan 0.000 0.464 499 E N 1.081 121.254 120.200 -0.044 0.000 2.373 499 E HA 0.254 4.603 4.350 -0.001 0.000 0.267 499 E C -2.441 174.158 176.600 -0.001 0.000 1.032 499 E CA -2.003 54.401 56.400 0.006 0.000 0.889 499 E CB 0.150 29.887 29.700 0.062 0.000 0.984 499 E HN 0.186 nan 8.360 nan 0.000 0.425 500 P HA -0.062 nan 4.420 nan 0.000 0.266 500 P C -0.461 176.841 177.300 0.003 0.000 1.195 500 P CA 0.449 63.550 63.100 0.003 0.000 0.768 500 P CB 0.454 32.158 31.700 0.007 0.000 0.838 501 M N 1.742 121.341 119.600 -0.002 0.000 2.245 501 M HA 0.091 4.570 4.480 -0.001 0.000 0.330 501 M C 0.551 176.849 176.300 -0.004 0.000 1.098 501 M CA -0.294 55.001 55.300 -0.008 0.000 1.172 501 M CB 0.300 32.895 32.600 -0.008 0.000 1.467 501 M HN 0.158 nan 8.290 nan 0.000 0.454 502 V N -0.278 119.632 119.914 -0.007 0.000 3.051 502 V HA 0.198 4.317 4.120 -0.001 0.000 0.306 502 V C 0.311 176.400 176.094 -0.009 0.000 1.083 502 V CA -0.904 61.397 62.300 0.002 0.000 1.104 502 V CB 0.737 32.570 31.823 0.016 0.000 1.027 502 V HN 0.889 nan 8.190 nan 0.000 0.483 503 E N 3.073 123.269 120.200 -0.006 0.000 2.585 503 E HA 0.011 4.360 4.350 -0.001 0.000 0.252 503 E C 0.420 177.006 176.600 -0.023 0.000 0.981 503 E CA 0.456 56.848 56.400 -0.014 0.000 0.943 503 E CB -0.001 29.693 29.700 -0.011 0.000 0.923 503 E HN 0.761 nan 8.360 nan 0.000 0.486 504 R N 1.091 121.571 120.500 -0.033 0.000 3.878 504 R HA -0.196 4.144 4.340 -0.001 0.000 0.330 504 R C 0.267 176.530 176.300 -0.063 0.000 1.186 504 R CA 0.606 56.677 56.100 -0.049 0.000 0.885 504 R CB -2.132 28.141 30.300 -0.045 0.000 1.377 504 R HN 0.630 nan 8.270 nan 0.000 0.523 505 G N -0.806 107.961 108.800 -0.055 0.000 3.251 505 G HA2 0.648 4.607 3.960 -0.001 0.000 0.248 505 G HA3 0.648 4.607 3.960 -0.001 0.000 0.248 505 G C 0.133 175.002 174.900 -0.052 0.000 1.320 505 G CA -0.613 44.449 45.100 -0.064 0.000 0.982 505 G HN 0.025 nan 8.290 nan 0.000 0.575 506 R N -0.832 119.641 120.500 -0.044 0.000 2.527 506 R HA 0.259 4.599 4.340 -0.001 0.000 0.402 506 R C -0.155 176.098 176.300 -0.079 0.000 0.933 506 R CA 0.036 56.142 56.100 0.011 0.000 1.171 506 R CB 0.360 30.773 30.300 0.189 0.000 1.612 506 R HN 0.570 nan 8.270 nan 0.000 0.546 507 V N -3.438 116.377 119.914 -0.166 0.000 3.102 507 V HA 0.942 5.062 4.120 -0.001 0.000 0.312 507 V C 0.494 176.534 176.094 -0.091 0.000 1.135 507 V CA -1.029 61.154 62.300 -0.194 0.000 1.022 507 V CB 1.789 33.385 31.823 -0.378 0.000 1.056 507 V HN 0.042 nan 8.190 nan 0.000 0.436 508 G N 0.269 109.037 108.800 -0.053 0.000 2.535 508 G HA2 0.548 4.507 3.960 -0.001 0.000 0.282 508 G HA3 0.548 4.507 3.960 -0.001 0.000 0.282 508 G C -1.828 173.083 174.900 0.018 0.000 1.350 508 G CA -0.971 44.126 45.100 -0.005 0.000 1.039 508 G HN 0.631 nan 8.290 nan 0.000 0.509 509 P HA -0.095 nan 4.420 nan 0.000 0.215 509 P C 2.080 179.432 177.300 0.086 0.000 1.153 509 P CA 0.454 63.612 63.100 0.097 0.000 0.853 509 P CB 0.114 31.874 31.700 0.100 0.000 0.788 510 L N -1.302 119.964 121.223 0.070 0.000 2.005 510 L HA -0.118 4.221 4.340 -0.001 0.000 0.207 510 L C 2.108 178.981 176.870 0.006 0.000 1.072 510 L CA 1.877 56.754 54.840 0.062 0.000 0.744 510 L CB -1.500 40.616 42.059 0.094 0.000 0.895 510 L HN -0.167 nan 8.230 nan 0.000 0.433 511 L N 0.143 121.360 121.223 -0.010 0.000 2.012 511 L HA -0.141 4.198 4.340 -0.001 0.000 0.210 511 L C 2.732 179.539 176.870 -0.105 0.000 1.073 511 L CA 2.058 56.864 54.840 -0.056 0.000 0.748 511 L CB -1.666 40.348 42.059 -0.075 0.000 0.891 511 L HN 0.383 nan 8.230 nan 0.000 0.431 512 A N -1.422 121.338 122.820 -0.100 0.000 1.948 512 A HA -0.343 3.977 4.320 -0.001 0.000 0.220 512 A C 2.619 179.963 177.584 -0.400 0.000 1.177 512 A CA 2.093 54.063 52.037 -0.112 0.000 0.636 512 A CB -1.457 17.573 19.000 0.049 0.000 0.815 512 A HN 0.645 nan 8.150 nan 0.000 0.449 513 c N -0.662 117.632 118.600 -0.509 0.000 2.489 513 c HA 0.041 4.610 4.570 -0.001 0.000 0.279 513 c C 2.572 176.277 174.090 -0.642 0.000 1.266 513 c CA 1.115 56.753 56.329 -1.151 0.000 1.707 513 c CB -1.545 40.613 42.510 -0.587 0.000 2.059 513 c HN 0.569 nan 8.230 nan 0.000 0.481 514 L N 0.611 121.722 121.223 -0.187 0.000 2.012 514 L HA -0.137 4.203 4.340 -0.001 0.000 0.210 514 L C 2.724 179.677 176.870 0.138 0.000 1.073 514 L CA 1.666 56.555 54.840 0.081 0.000 0.748 514 L CB -0.602 41.467 42.059 0.017 0.000 0.891 514 L HN 0.413 nan 8.230 nan 0.000 0.431 515 L N -0.808 120.447 121.223 0.054 0.000 2.044 515 L HA -0.076 4.264 4.340 -0.001 0.000 0.205 515 L C 2.683 179.684 176.870 0.218 0.000 1.075 515 L CA 1.358 56.314 54.840 0.193 0.000 0.747 515 L CB -1.090 41.058 42.059 0.148 0.000 0.903 515 L HN 0.270 nan 8.230 nan 0.000 0.435 516 G N -0.422 108.385 108.800 0.011 0.000 2.432 516 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.219 516 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.219 516 G C 1.771 176.744 174.900 0.123 0.000 1.135 516 G CA 0.399 45.547 45.100 0.079 0.000 0.767 516 G HN 0.237 nan 8.290 nan 0.000 0.550 517 R N -0.475 119.999 120.500 -0.043 0.000 2.062 517 R HA -0.059 4.280 4.340 -0.001 0.000 0.231 517 R C 2.654 179.026 176.300 0.120 0.000 1.136 517 R CA 1.517 57.636 56.100 0.032 0.000 0.948 517 R CB -0.370 29.849 30.300 -0.135 0.000 0.845 517 R HN 0.363 nan 8.270 nan 0.000 0.430 518 Q N 0.331 120.235 119.800 0.173 0.000 2.061 518 Q HA -0.156 4.183 4.340 -0.001 0.000 0.204 518 Q C 1.686 177.579 176.000 -0.179 0.000 0.984 518 Q CA 1.812 57.593 55.803 -0.038 0.000 0.846 518 Q CB -0.253 28.165 28.738 -0.533 0.000 0.902 518 Q HN 0.200 nan 8.270 nan 0.000 0.421 519 F N 0.629 120.561 119.950 -0.030 0.000 2.186 519 F HA -0.140 4.386 4.527 -0.001 0.000 0.299 519 F C 2.494 178.442 175.800 0.246 0.000 1.090 519 F CA 1.539 59.594 58.000 0.093 0.000 1.307 519 F CB -0.585 38.403 39.000 -0.019 0.000 1.019 519 F HN 0.272 nan 8.300 nan 0.000 0.489 520 Q N 0.692 120.705 119.800 0.355 0.000 2.084 520 Q HA -0.235 4.104 4.340 -0.001 0.000 0.202 520 Q C 1.964 178.058 176.000 0.157 0.000 0.978 520 Q CA 1.801 57.761 55.803 0.262 0.000 0.844 520 Q CB -0.242 28.629 28.738 0.222 0.000 0.898 520 Q HN 0.519 nan 8.270 nan 0.000 0.426 521 Q N 0.216 120.094 119.800 0.131 0.000 2.049 521 Q HA -0.098 4.241 4.340 -0.001 0.000 0.198 521 Q C 2.324 178.393 176.000 0.115 0.000 0.971 521 Q CA 1.581 57.444 55.803 0.100 0.000 0.833 521 Q CB -0.277 28.520 28.738 0.099 0.000 0.896 521 Q HN 0.622 nan 8.270 nan 0.000 0.434 522 I N -1.407 119.234 120.570 0.117 0.000 2.454 522 I HA -0.205 3.964 4.170 -0.001 0.000 0.254 522 I C 2.478 178.719 176.117 0.205 0.000 1.156 522 I CA 1.168 62.570 61.300 0.169 0.000 1.433 522 I CB -0.278 37.815 38.000 0.155 0.000 1.082 522 I HN 0.030 nan 8.210 nan 0.000 0.432 523 R N 1.655 122.167 120.500 0.020 0.000 2.052 523 R HA -0.127 4.212 4.340 -0.001 0.000 0.226 523 R C 1.670 177.815 176.300 -0.257 0.000 1.145 523 R CA 2.034 57.818 56.100 -0.526 0.000 0.952 523 R CB -0.514 29.145 30.300 -1.068 0.000 0.847 523 R HN 0.342 nan 8.270 nan 0.000 0.431 524 D N -0.375 119.985 120.400 -0.066 0.000 2.263 524 D HA -0.083 4.557 4.640 -0.001 0.000 0.208 524 D C 1.377 177.783 176.300 0.176 0.000 0.971 524 D CA 1.399 55.428 54.000 0.049 0.000 0.867 524 D CB -0.193 40.614 40.800 0.011 0.000 0.929 524 D HN 0.543 nan 8.370 nan 0.000 0.492 525 G N -0.456 108.487 108.800 0.238 0.000 3.126 525 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.224 525 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.224 525 G C 0.074 175.334 174.900 0.599 0.000 1.142 525 G CA -0.264 45.064 45.100 0.379 0.000 0.759 525 G HN 0.006 nan 8.290 nan 0.000 0.550 526 D N 0.238 120.934 120.400 0.492 0.000 2.280 526 D HA 0.210 4.849 4.640 -0.001 0.000 0.243 526 D C 1.401 177.693 176.300 -0.015 0.000 1.129 526 D CA -0.657 53.556 54.000 0.355 0.000 0.848 526 D CB 1.308 42.406 40.800 0.497 0.000 1.107 526 D HN 0.063 nan 8.370 nan 0.000 0.471 527 R N 2.793 123.009 120.500 -0.473 0.000 2.148 527 R HA -0.018 4.321 4.340 -0.001 0.000 0.223 527 R C 0.696 176.567 176.300 -0.716 0.000 1.088 527 R CA 0.955 56.385 56.100 -1.117 0.000 0.985 527 R CB 0.012 29.626 30.300 -1.143 0.000 0.880 527 R HN 0.394 nan 8.270 nan 0.000 0.451 528 F N -0.320 119.513 119.950 -0.195 0.000 2.668 528 F HA 0.160 4.686 4.527 -0.001 0.000 0.297 528 F C 0.363 176.221 175.800 0.096 0.000 1.124 528 F CA -0.769 57.184 58.000 -0.079 0.000 1.353 528 F CB -0.046 38.886 39.000 -0.113 0.000 0.992 528 F HN 0.091 nan 8.300 nan 0.000 0.524 529 W N 2.897 124.237 121.300 0.067 0.000 2.293 529 W HA -0.150 4.509 4.660 -0.001 0.000 0.342 529 W C 1.348 177.926 176.519 0.098 0.000 1.274 529 W CA -0.481 56.897 57.345 0.055 0.000 1.290 529 W CB 0.454 29.846 29.460 -0.113 0.000 1.176 529 W HN 0.520 nan 8.180 nan 0.000 0.570 530 W N 4.097 125.039 121.300 -0.598 0.000 2.421 530 W HA -0.154 4.505 4.660 -0.001 0.000 0.270 530 W C 0.555 177.048 176.519 -0.042 0.000 1.233 530 W CA 1.288 58.537 57.345 -0.160 0.000 1.226 530 W CB -0.577 28.665 29.460 -0.363 0.000 1.121 530 W HN 0.468 nan 8.180 nan 0.000 0.579 531 E N 0.508 120.129 120.200 -0.965 0.000 2.472 531 E HA -0.065 4.284 4.350 -0.001 0.000 0.196 531 E C 0.193 176.774 176.600 -0.032 0.000 1.033 531 E CA -0.291 55.685 56.400 -0.706 0.000 0.886 531 E CB -0.199 28.904 29.700 -0.996 0.000 0.944 531 E HN -0.030 nan 8.360 nan 0.000 0.492 532 N N 2.667 121.454 118.700 0.145 0.000 2.434 532 N HA 0.016 4.755 4.740 -0.001 0.000 0.268 532 N C -2.622 172.955 175.510 0.111 0.000 1.256 532 N CA -1.567 51.641 53.050 0.263 0.000 0.914 532 N CB 0.489 39.116 38.487 0.235 0.000 1.088 532 N HN -0.223 nan 8.380 nan 0.000 0.478 533 P HA 0.050 nan 4.420 nan 0.000 0.263 533 P C 0.701 178.002 177.300 0.002 0.000 1.175 533 P CA 0.860 63.987 63.100 0.045 0.000 0.761 533 P CB 0.405 32.125 31.700 0.034 0.000 0.794 534 G N 1.195 109.992 108.800 -0.005 0.000 2.199 534 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.254 534 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.254 534 G C 0.922 175.764 174.900 -0.095 0.000 0.982 534 G CA 0.212 45.283 45.100 -0.048 0.000 0.632 534 G HN 0.420 nan 8.290 nan 0.000 0.529 535 V N -0.599 119.259 119.914 -0.093 0.000 2.446 535 V HA 0.381 4.500 4.120 -0.001 0.000 0.244 535 V C 1.088 176.932 176.094 -0.418 0.000 1.039 535 V CA 1.726 63.903 62.300 -0.205 0.000 1.045 535 V CB -0.276 31.474 31.823 -0.122 0.000 0.681 535 V HN 0.297 nan 8.190 nan 0.000 0.459 536 F N -0.516 119.459 119.950 0.041 0.000 2.593 536 F HA 0.506 5.032 4.527 -0.001 0.000 0.320 536 F C 0.707 176.483 175.800 -0.041 0.000 1.060 536 F CA -0.831 57.175 58.000 0.010 0.000 0.940 536 F CB 1.496 40.542 39.000 0.076 0.000 1.268 536 F HN -0.116 nan 8.300 nan 0.000 0.475 537 T N -2.498 112.106 114.554 0.084 0.000 2.788 537 T HA 0.191 4.541 4.350 -0.001 0.000 0.287 537 T C 0.881 175.598 174.700 0.028 0.000 1.007 537 T CA -0.447 61.658 62.100 0.008 0.000 1.005 537 T CB 0.981 69.808 68.868 -0.067 0.000 1.012 537 T HN 0.741 nan 8.240 nan 0.000 0.530 538 E N 0.164 120.373 120.200 0.016 0.000 2.077 538 E HA -0.132 4.217 4.350 -0.001 0.000 0.193 538 E C 2.178 178.787 176.600 0.015 0.000 0.989 538 E CA 1.095 57.512 56.400 0.029 0.000 0.800 538 E CB -0.055 29.659 29.700 0.022 0.000 0.746 538 E HN 0.615 nan 8.360 nan 0.000 0.452 539 K N 0.296 120.682 120.400 -0.023 0.000 2.211 539 K HA -0.146 4.173 4.320 -0.001 0.000 0.203 539 K C 2.159 178.716 176.600 -0.071 0.000 1.050 539 K CA 0.937 57.204 56.287 -0.034 0.000 0.945 539 K CB 0.085 32.557 32.500 -0.047 0.000 0.732 539 K HN 0.134 nan 8.250 nan 0.000 0.451 540 Q N -0.093 119.609 119.800 -0.164 0.000 2.049 540 Q HA -0.065 4.274 4.340 -0.001 0.000 0.198 540 Q C 2.027 177.997 176.000 -0.051 0.000 0.971 540 Q CA 1.050 56.670 55.803 -0.305 0.000 0.833 540 Q CB 0.082 28.516 28.738 -0.506 0.000 0.896 540 Q HN 0.214 nan 8.270 nan 0.000 0.434 541 R N 0.696 121.222 120.500 0.043 0.000 2.081 541 R HA -0.145 4.195 4.340 -0.001 0.000 0.235 541 R C 1.548 177.937 176.300 0.149 0.000 1.131 541 R CA 1.580 57.786 56.100 0.176 0.000 0.960 541 R CB -0.242 30.221 30.300 0.272 0.000 0.856 541 R HN 0.291 nan 8.270 nan 0.000 0.436 542 D N -0.188 120.272 120.400 0.099 0.000 2.265 542 D HA -0.116 4.523 4.640 -0.001 0.000 0.208 542 D C 1.801 178.143 176.300 0.070 0.000 0.977 542 D CA 1.078 55.127 54.000 0.082 0.000 0.871 542 D CB 0.104 40.939 40.800 0.059 0.000 0.925 542 D HN 0.031 nan 8.370 nan 0.000 0.485 543 S N -1.091 114.658 115.700 0.081 0.000 2.404 543 S HA 0.102 4.572 4.470 -0.001 0.000 0.223 543 S C 1.763 176.393 174.600 0.051 0.000 1.040 543 S CA 0.079 58.344 58.200 0.108 0.000 0.957 543 S CB 0.008 63.358 63.200 0.249 0.000 0.826 543 S HN 0.164 nan 8.310 nan 0.000 0.491 544 L N 1.254 122.478 121.223 0.001 0.000 2.275 544 L HA -0.035 4.304 4.340 -0.001 0.000 0.215 544 L C 2.500 179.211 176.870 -0.266 0.000 1.119 544 L CA 0.891 55.626 54.840 -0.175 0.000 0.790 544 L CB -0.365 41.473 42.059 -0.368 0.000 0.919 544 L HN 0.346 nan 8.230 nan 0.000 0.443 545 Q N -0.078 119.635 119.800 -0.145 0.000 2.291 545 Q HA -0.198 4.141 4.340 -0.001 0.000 0.206 545 Q C 1.806 177.767 176.000 -0.066 0.000 0.976 545 Q CA 1.285 57.032 55.803 -0.093 0.000 0.875 545 Q CB 0.119 28.888 28.738 0.052 0.000 0.927 545 Q HN 0.372 nan 8.270 nan 0.000 0.450 546 K N 0.034 120.406 120.400 -0.046 0.000 2.393 546 K HA 0.053 4.372 4.320 -0.001 0.000 0.193 546 K C 0.280 176.860 176.600 -0.033 0.000 1.026 546 K CA -0.058 56.214 56.287 -0.025 0.000 1.064 546 K CB 0.541 33.039 32.500 -0.004 0.000 0.833 546 K HN 0.104 nan 8.250 nan 0.000 0.521 547 V N -0.047 119.835 119.914 -0.053 0.000 3.139 547 V HA 0.203 4.322 4.120 -0.001 0.000 0.307 547 V C -0.035 176.040 176.094 -0.032 0.000 1.095 547 V CA -0.427 61.870 62.300 -0.006 0.000 1.160 547 V CB 1.245 33.107 31.823 0.065 0.000 1.003 547 V HN 0.223 nan 8.190 nan 0.000 0.489 548 S N 2.099 117.820 115.700 0.035 0.000 2.588 548 S HA 0.518 4.988 4.470 -0.001 0.000 0.269 548 S C -0.229 174.434 174.600 0.105 0.000 1.157 548 S CA -0.257 57.951 58.200 0.013 0.000 0.824 548 S CB 1.182 64.379 63.200 -0.005 0.000 1.126 548 S HN 0.892 nan 8.310 nan 0.000 0.464 549 F N 2.031 121.933 119.950 -0.080 0.000 2.259 549 F HA 0.038 4.564 4.527 -0.001 0.000 0.298 549 F C 2.417 178.181 175.800 -0.059 0.000 1.088 549 F CA 1.961 59.929 58.000 -0.054 0.000 1.358 549 F CB -0.339 38.474 39.000 -0.311 0.000 1.040 549 F HN 0.677 nan 8.300 nan 0.000 0.505 550 S N 0.345 116.060 115.700 0.025 0.000 2.353 550 S HA -0.287 4.182 4.470 -0.001 0.000 0.222 550 S C 1.972 176.517 174.600 -0.091 0.000 1.035 550 S CA 1.524 59.701 58.200 -0.038 0.000 1.025 550 S CB -0.522 62.639 63.200 -0.066 0.000 0.902 550 S HN 0.265 nan 8.310 nan 0.000 0.440 551 R N 1.285 121.740 120.500 -0.076 0.000 2.103 551 R HA -0.066 4.273 4.340 -0.001 0.000 0.242 551 R C 2.148 178.350 176.300 -0.163 0.000 1.142 551 R CA 1.168 57.214 56.100 -0.091 0.000 0.960 551 R CB -1.068 29.201 30.300 -0.052 0.000 0.858 551 R HN 0.407 nan 8.270 nan 0.000 0.439 552 L N 0.111 121.190 121.223 -0.240 0.000 2.042 552 L HA -0.137 4.202 4.340 -0.001 0.000 0.210 552 L C 1.999 178.644 176.870 -0.375 0.000 1.076 552 L CA 1.794 56.388 54.840 -0.410 0.000 0.749 552 L CB -0.328 41.334 42.059 -0.662 0.000 0.893 552 L HN 0.299 nan 8.230 nan 0.000 0.432 553 I N -1.714 118.647 120.570 -0.348 0.000 2.142 553 I HA -0.378 3.791 4.170 -0.001 0.000 0.240 553 I C 2.554 178.582 176.117 -0.147 0.000 1.078 553 I CA 1.445 62.617 61.300 -0.214 0.000 1.343 553 I CB -0.644 37.292 38.000 -0.106 0.000 1.046 553 I HN 0.364 nan 8.210 nan 0.000 0.405 554 c N 0.899 119.431 118.600 -0.114 0.000 2.393 554 c HA -0.217 4.353 4.570 -0.001 0.000 0.276 554 c C 2.438 176.464 174.090 -0.107 0.000 1.215 554 c CA 1.098 57.379 56.329 -0.081 0.000 1.743 554 c CB -1.093 41.380 42.510 -0.061 0.000 2.044 554 c HN 0.541 nan 8.230 nan 0.000 0.464 555 D N 0.202 120.519 120.400 -0.137 0.000 2.224 555 D HA -0.048 4.591 4.640 -0.001 0.000 0.205 555 D C 1.367 177.564 176.300 -0.171 0.000 0.965 555 D CA 0.993 54.907 54.000 -0.143 0.000 0.852 555 D CB -0.497 40.209 40.800 -0.157 0.000 0.947 555 D HN 0.578 nan 8.370 nan 0.000 0.494 556 N N -0.115 118.465 118.700 -0.200 0.000 2.177 556 N HA 0.023 4.762 4.740 -0.001 0.000 0.218 556 N C 0.280 175.643 175.510 -0.244 0.000 1.182 556 N CA 0.199 53.120 53.050 -0.216 0.000 0.882 556 N CB 1.669 40.025 38.487 -0.218 0.000 1.052 556 N HN 0.234 nan 8.380 nan 0.000 0.519 557 T N -3.137 111.259 114.554 -0.262 0.000 2.778 557 T HA 0.356 4.705 4.350 -0.001 0.000 0.293 557 T C -0.204 174.268 174.700 -0.379 0.000 1.144 557 T CA -0.510 61.411 62.100 -0.299 0.000 1.010 557 T CB 1.372 70.147 68.868 -0.155 0.000 1.325 557 T HN 0.029 nan 8.240 nan 0.000 0.515 558 H N -0.074 118.965 119.070 -0.051 0.000 2.524 558 H HA 0.400 4.956 4.556 -0.001 0.000 0.299 558 H C -0.007 175.295 175.328 -0.044 0.000 1.074 558 H CA -0.647 55.368 56.048 -0.054 0.000 1.115 558 H CB -0.058 29.657 29.762 -0.078 0.000 1.522 558 H HN 0.293 nan 8.280 nan 0.000 0.543 559 I N 2.127 122.718 120.570 0.035 0.000 2.452 559 I HA -0.026 4.143 4.170 -0.001 0.000 0.287 559 I C 1.517 177.687 176.117 0.089 0.000 1.079 559 I CA 0.272 61.608 61.300 0.059 0.000 1.387 559 I CB 0.740 38.782 38.000 0.070 0.000 1.404 559 I HN 0.324 nan 8.210 nan 0.000 0.522 560 T N 2.436 117.059 114.554 0.116 0.000 3.044 560 T HA 0.177 4.526 4.350 -0.001 0.000 0.250 560 T C 0.714 175.506 174.700 0.153 0.000 1.081 560 T CA 0.046 62.213 62.100 0.111 0.000 1.040 560 T CB 0.361 69.283 68.868 0.091 0.000 0.962 560 T HN 0.338 nan 8.240 nan 0.000 0.506 561 K N 2.416 122.968 120.400 0.253 0.000 2.450 561 K HA 0.637 4.956 4.320 -0.001 0.000 0.257 561 K C -0.798 176.085 176.600 0.472 0.000 0.953 561 K CA -0.564 55.925 56.287 0.337 0.000 0.844 561 K CB 2.437 35.192 32.500 0.424 0.000 1.103 561 K HN 0.296 nan 8.250 nan 0.000 0.429 562 V N -0.061 120.027 119.914 0.291 0.000 3.114 562 V HA 0.677 4.796 4.120 -0.001 0.000 0.308 562 V C -2.921 173.021 176.094 -0.253 0.000 1.168 562 V CA -2.692 59.674 62.300 0.110 0.000 1.015 562 V CB 2.159 34.018 31.823 0.060 0.000 1.050 562 V HN 0.420 nan 8.190 nan 0.000 0.433 563 P HA 0.473 nan 4.420 nan 0.000 0.286 563 P C 0.257 177.352 177.300 -0.342 0.000 1.261 563 P CA -0.458 62.301 63.100 -0.569 0.000 0.821 563 P CB 1.274 32.553 31.700 -0.702 0.000 1.013 564 L N 1.068 122.067 121.223 -0.374 0.000 2.156 564 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 564 L C 0.969 177.489 176.870 -0.582 0.000 1.095 564 L CA 1.720 56.271 54.840 -0.481 0.000 0.770 564 L CB -1.321 40.358 42.059 -0.633 0.000 0.914 564 L HN 0.439 nan 8.230 nan 0.000 0.439 565 H N -1.146 117.867 119.070 -0.095 0.000 2.697 565 H HA 0.431 4.987 4.556 -0.001 0.000 0.270 565 H C 0.912 176.200 175.328 -0.068 0.000 1.188 565 H CA 0.114 56.138 56.048 -0.040 0.000 1.322 565 H CB 0.844 30.597 29.762 -0.016 0.000 1.405 565 H HN 0.008 nan 8.280 nan 0.000 0.502 566 A N 2.158 124.953 122.820 -0.042 0.000 2.119 566 A HA -0.041 4.278 4.320 -0.001 0.000 0.217 566 A C 1.157 178.606 177.584 -0.224 0.000 1.153 566 A CA 0.599 52.523 52.037 -0.190 0.000 0.692 566 A CB -0.420 18.423 19.000 -0.262 0.000 0.799 566 A HN 0.389 nan 8.150 nan 0.000 0.458 567 F N 0.325 120.296 119.950 0.034 0.000 2.743 567 F HA 0.095 4.621 4.527 -0.001 0.000 0.297 567 F C 1.519 177.345 175.800 0.043 0.000 1.131 567 F CA 0.491 58.538 58.000 0.079 0.000 1.426 567 F CB 0.048 39.123 39.000 0.125 0.000 1.116 567 F HN 0.438 nan 8.300 nan 0.000 0.583 568 Q N 0.585 120.479 119.800 0.157 0.000 2.195 568 Q HA 0.696 5.036 4.340 -0.001 0.000 0.250 568 Q C -0.358 175.675 176.000 0.054 0.000 0.988 568 Q CA -1.116 54.726 55.803 0.065 0.000 0.911 568 Q CB 1.512 30.272 28.738 0.036 0.000 1.258 568 Q HN 0.032 nan 8.270 nan 0.000 0.475 569 A N 1.907 124.753 122.820 0.043 0.000 2.492 569 A HA 0.261 4.580 4.320 -0.001 0.000 0.254 569 A C -0.850 176.776 177.584 0.070 0.000 1.091 569 A CA -0.189 51.888 52.037 0.066 0.000 0.768 569 A CB -0.628 18.409 19.000 0.062 0.000 1.028 569 A HN 0.796 nan 8.150 nan 0.000 0.498 570 N N 1.871 120.630 118.700 0.098 0.000 2.249 570 N HA 0.358 5.097 4.740 -0.001 0.000 0.296 570 N C -1.393 174.281 175.510 0.274 0.000 1.051 570 N CA -0.752 52.362 53.050 0.107 0.000 0.815 570 N CB 1.672 40.115 38.487 -0.074 0.000 1.487 570 N HN 0.695 nan 8.380 nan 0.000 0.475 571 N N 1.334 120.206 118.700 0.286 0.000 2.372 571 N HA 0.159 4.899 4.740 -0.001 0.000 0.291 571 N C -1.411 174.293 175.510 0.324 0.000 1.024 571 N CA -0.349 52.874 53.050 0.288 0.000 0.873 571 N CB 1.836 40.434 38.487 0.187 0.000 1.206 571 N HN 0.481 nan 8.380 nan 0.000 0.486 572 Y N 3.445 123.724 120.300 -0.035 0.000 2.319 572 Y HA 0.229 4.779 4.550 -0.001 0.000 0.328 572 Y C -1.069 174.782 175.900 -0.082 0.000 1.133 572 Y CA -0.862 57.046 58.100 -0.320 0.000 1.265 572 Y CB 0.942 38.939 38.460 -0.772 0.000 1.218 572 Y HN 0.499 nan 8.280 nan 0.000 0.508 573 P HA -0.003 nan 4.420 nan 0.000 0.245 573 P C 0.997 178.130 177.300 -0.277 0.000 1.199 573 P CA 0.832 63.320 63.100 -1.019 0.000 0.807 573 P CB 0.189 31.273 31.700 -1.026 0.000 1.002 574 H N 1.888 120.867 119.070 -0.151 0.000 2.292 574 H HA -0.164 4.391 4.556 -0.001 0.000 0.292 574 H C 1.001 176.324 175.328 -0.009 0.000 1.100 574 H CA 2.410 58.423 56.048 -0.059 0.000 1.238 574 H CB -0.487 29.261 29.762 -0.023 0.000 1.355 574 H HN -0.044 nan 8.280 nan 0.000 0.484 575 D N -0.714 119.629 120.400 -0.095 0.000 2.349 575 D HA 0.014 4.653 4.640 -0.001 0.000 0.224 575 D C -0.334 175.847 176.300 -0.198 0.000 1.029 575 D CA 0.213 54.094 54.000 -0.199 0.000 0.879 575 D CB -0.145 40.606 40.800 -0.082 0.000 0.906 575 D HN 0.199 nan 8.370 nan 0.000 0.528 576 F N 0.555 120.368 119.950 -0.228 0.000 2.397 576 F HA 0.334 4.860 4.527 -0.001 0.000 0.331 576 F C 0.653 176.360 175.800 -0.157 0.000 1.090 576 F CA -1.118 56.775 58.000 -0.178 0.000 1.065 576 F CB 1.462 40.354 39.000 -0.179 0.000 1.184 576 F HN -0.315 nan 8.300 nan 0.000 0.499 577 V N -0.847 119.086 119.914 0.032 0.000 3.078 577 V HA 0.487 4.606 4.120 -0.001 0.000 0.311 577 V C -0.651 175.470 176.094 0.046 0.000 1.138 577 V CA -1.093 61.209 62.300 0.003 0.000 1.007 577 V CB 1.824 33.613 31.823 -0.058 0.000 1.045 577 V HN 0.680 nan 8.190 nan 0.000 0.432 578 D N 0.914 121.336 120.400 0.037 0.000 2.449 578 D HA 0.050 4.689 4.640 -0.001 0.000 0.236 578 D C 1.158 177.472 176.300 0.022 0.000 1.149 578 D CA 0.363 54.390 54.000 0.045 0.000 0.878 578 D CB 1.649 42.468 40.800 0.031 0.000 1.198 578 D HN 0.827 nan 8.370 nan 0.000 0.446 579 c N 1.878 120.495 118.600 0.029 0.000 2.401 579 c HA -0.119 4.450 4.570 -0.001 0.000 0.286 579 c C 2.601 176.685 174.090 -0.010 0.000 1.332 579 c CA 0.550 56.881 56.329 0.004 0.000 1.795 579 c CB -1.054 41.460 42.510 0.006 0.000 1.922 579 c HN 0.548 nan 8.230 nan 0.000 0.520 580 S N 0.448 116.145 115.700 -0.005 0.000 2.547 580 S HA 0.016 4.485 4.470 -0.001 0.000 0.235 580 S C 1.780 176.369 174.600 -0.017 0.000 0.980 580 S CA 0.957 59.151 58.200 -0.010 0.000 0.941 580 S CB -0.130 63.068 63.200 -0.004 0.000 0.763 580 S HN 0.785 nan 8.310 nan 0.000 0.532 581 A N 0.532 123.338 122.820 -0.024 0.000 2.303 581 A HA 0.379 4.698 4.320 -0.001 0.000 0.217 581 A C 0.632 178.189 177.584 -0.045 0.000 1.205 581 A CA -0.094 51.923 52.037 -0.033 0.000 0.875 581 A CB 0.291 19.267 19.000 -0.040 0.000 0.910 581 A HN 0.250 nan 8.150 nan 0.000 0.501 582 V N 2.391 122.278 119.914 -0.046 0.000 2.432 582 V HA 0.129 4.248 4.120 -0.001 0.000 0.271 582 V C -0.643 175.426 176.094 -0.042 0.000 1.046 582 V CA -0.909 61.358 62.300 -0.055 0.000 0.945 582 V CB 0.725 32.513 31.823 -0.059 0.000 0.992 582 V HN 0.336 nan 8.190 nan 0.000 0.471 583 D N 4.463 124.840 120.400 -0.038 0.000 2.583 583 D HA 0.062 4.702 4.640 -0.001 0.000 0.232 583 D C 0.364 176.647 176.300 -0.029 0.000 1.128 583 D CA 0.673 54.657 54.000 -0.027 0.000 0.859 583 D CB 0.510 41.298 40.800 -0.020 0.000 1.169 583 D HN 0.487 nan 8.370 nan 0.000 0.481 584 K N 0.840 121.225 120.400 -0.026 0.000 2.102 584 K HA 0.427 4.746 4.320 -0.001 0.000 0.244 584 K C -0.216 176.368 176.600 -0.028 0.000 1.021 584 K CA -0.940 55.326 56.287 -0.034 0.000 0.913 584 K CB 0.715 33.194 32.500 -0.034 0.000 1.062 584 K HN 0.242 nan 8.250 nan 0.000 0.485 585 L N 1.577 122.773 121.223 -0.044 0.000 2.264 585 L HA 0.200 4.539 4.340 -0.001 0.000 0.287 585 L C -0.777 176.073 176.870 -0.033 0.000 1.039 585 L CA -0.237 54.579 54.840 -0.040 0.000 0.829 585 L CB 0.766 42.776 42.059 -0.081 0.000 1.211 585 L HN 0.402 nan 8.230 nan 0.000 0.427 586 D N 4.616 125.032 120.400 0.026 0.000 2.346 586 D HA 0.067 4.707 4.640 -0.001 0.000 0.260 586 D C 0.699 177.075 176.300 0.127 0.000 1.252 586 D CA 0.285 54.321 54.000 0.061 0.000 0.895 586 D CB 0.859 41.710 40.800 0.085 0.000 1.097 586 D HN 0.701 nan 8.370 nan 0.000 0.489 587 L N 2.974 124.228 121.223 0.052 0.000 2.611 587 L HA -0.036 4.303 4.340 -0.001 0.000 0.229 587 L C 2.221 179.275 176.870 0.306 0.000 1.137 587 L CA -0.046 54.843 54.840 0.082 0.000 0.901 587 L CB -0.111 41.834 42.059 -0.190 0.000 1.098 587 L HN 0.341 nan 8.230 nan 0.000 0.456 588 S N 0.062 115.893 115.700 0.218 0.000 2.399 588 S HA -0.063 4.406 4.470 -0.001 0.000 0.231 588 S C -0.668 174.047 174.600 0.192 0.000 1.022 588 S CA 0.530 58.825 58.200 0.158 0.000 0.983 588 S CB -1.546 61.706 63.200 0.086 0.000 0.803 588 S HN 0.254 nan 8.310 nan 0.000 0.480 589 P HA 0.014 nan 4.420 nan 0.000 0.236 589 P C 0.349 177.630 177.300 -0.032 0.000 1.172 589 P CA 0.644 63.766 63.100 0.037 0.000 0.759 589 P CB -0.280 31.351 31.700 -0.116 0.000 0.843 590 W N -0.648 120.684 121.300 0.053 0.000 3.220 590 W HA 0.421 5.080 4.660 -0.001 0.000 0.328 590 W C 0.468 176.965 176.519 -0.036 0.000 1.205 590 W CA -0.515 56.878 57.345 0.081 0.000 1.773 590 W CB 0.166 29.688 29.460 0.104 0.000 1.086 590 W HN -0.135 nan 8.180 nan 0.000 0.622 591 A N 1.203 124.093 122.820 0.116 0.000 2.440 591 A HA 0.314 4.633 4.320 -0.001 0.000 0.251 591 A C 0.120 177.722 177.584 0.030 0.000 1.089 591 A CA 0.423 52.456 52.037 -0.006 0.000 0.779 591 A CB 0.609 19.612 19.000 0.005 0.000 1.022 591 A HN -0.045 nan 8.150 nan 0.000 0.492 592 S N 1.807 117.525 115.700 0.029 0.000 2.498 592 S HA 0.500 4.969 4.470 -0.001 0.000 0.317 592 S C -0.192 174.472 174.600 0.107 0.000 1.090 592 S CA -0.697 57.585 58.200 0.137 0.000 1.089 592 S CB 0.357 63.746 63.200 0.315 0.000 0.997 592 S HN 0.700 nan 8.310 nan 0.000 0.470 593 R N 2.743 123.279 120.500 0.060 0.000 2.312 593 R HA 0.273 4.613 4.340 -0.001 0.000 0.311 593 R C 1.296 177.593 176.300 -0.005 0.000 1.004 593 R CA -0.500 55.609 56.100 0.014 0.000 0.902 593 R CB 1.142 31.449 30.300 0.011 0.000 1.073 593 R HN 0.848 nan 8.270 nan 0.000 0.457 594 E N 4.496 124.664 120.200 -0.052 0.000 2.035 594 E HA -0.087 4.262 4.350 -0.001 0.000 0.191 594 E C 0.011 176.592 176.600 -0.032 0.000 0.966 594 E CA 0.134 56.493 56.400 -0.068 0.000 0.823 594 E CB -0.132 29.480 29.700 -0.146 0.000 0.791 594 E HN 0.655 nan 8.360 nan 0.000 0.459 595 N N 0.000 118.682 118.700 -0.031 0.000 1.763 595 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 595 N CA 0.000 53.039 53.050 -0.018 0.000 0.885 595 N CB 0.000 38.477 38.487 -0.017 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667