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 3py4_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVKcDENSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLALPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SNEHSKTQcE EYcIQGDNcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLAREQI NAVTSFLDAS LVYGSEPXLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYLPFN NKKPSPcEFI NTTARVPcFL DATA SEQUENCE AGDFRASEQI LLATAHTLLL REHNRLAREL KKLNPHWNGE KLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKKSKLMNQD KMVTSELRNK LFQPTHKIHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQTV LKNKILAKKL MDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS TVDKLDLSPW 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 0.000 174.647 174.600 0.079 0.000 1.055 1 S CA 0.000 58.170 58.200 -0.051 0.000 1.107 1 S CB 0.000 63.066 63.200 -0.223 0.000 0.593 2 W N 3.641 124.955 121.300 0.023 0.000 5.447 2 W HA -0.110 4.500 4.660 -0.083 0.000 0.421 2 W C 0.237 176.774 176.519 0.031 0.000 1.665 2 W CA 0.922 58.285 57.345 0.030 0.000 0.941 2 W CB -2.091 27.389 29.460 0.035 0.000 2.889 2 W HN 0.844 nan 8.180 nan 0.000 1.320 3 E N -0.241 120.088 120.200 0.215 0.000 2.415 3 E HA 0.175 4.475 4.350 -0.084 0.000 0.263 3 E C 0.268 176.936 176.600 0.114 0.000 0.995 3 E CA -0.340 56.142 56.400 0.136 0.000 0.915 3 E CB 1.745 31.504 29.700 0.098 0.000 0.951 3 E HN 0.144 nan 8.360 nan 0.000 0.449 4 V N 3.992 123.963 119.914 0.094 0.000 2.054 4 V HA 0.332 4.401 4.120 -0.084 0.000 0.243 4 V C 0.334 176.459 176.094 0.052 0.000 1.480 4 V CA 1.224 63.567 62.300 0.071 0.000 1.440 4 V CB -1.344 30.521 31.823 0.070 0.000 1.489 4 V HN 0.884 nan 8.190 nan 0.000 0.502 5 G N 3.414 112.242 108.800 0.048 0.000 3.326 5 G HA2 -0.112 3.797 3.960 -0.084 0.000 0.681 5 G HA3 -0.112 3.797 3.960 -0.084 0.000 0.681 5 G C -0.557 174.370 174.900 0.045 0.000 1.255 5 G CA -0.351 44.772 45.100 0.038 0.000 0.976 5 G HN 0.813 nan 8.290 nan 0.000 0.563 6 c N 1.871 120.498 118.600 0.044 0.000 2.452 6 c HA 0.849 5.369 4.570 -0.084 0.000 0.379 6 c C 1.414 175.512 174.090 0.012 0.000 1.275 6 c CA 1.072 57.426 56.329 0.041 0.000 2.056 6 c CB 0.104 42.647 42.510 0.055 0.000 2.506 6 c HN 2.009 nan 8.230 nan 0.000 0.560 7 G N 3.617 112.418 108.800 0.001 0.000 5.252 7 G HA2 0.439 4.349 3.960 -0.084 0.000 0.214 7 G HA3 0.439 4.349 3.960 -0.084 0.000 0.214 7 G C 0.570 175.458 174.900 -0.021 0.000 0.817 7 G CA 0.667 45.763 45.100 -0.007 0.000 0.715 7 G HN 1.069 nan 8.290 nan 0.000 0.480 8 A N 1.647 124.440 122.820 -0.045 0.000 1.897 8 A HA 0.205 4.474 4.320 -0.084 0.000 0.215 8 A C 1.160 178.705 177.584 -0.064 0.000 1.181 8 A CA 1.818 53.819 52.037 -0.059 0.000 0.620 8 A CB -0.724 18.220 19.000 -0.094 0.000 0.821 8 A HN 0.400 nan 8.150 nan 0.000 0.443 9 P HA -0.014 nan 4.420 nan 0.000 0.210 9 P C 0.360 177.635 177.300 -0.042 0.000 1.192 9 P CA 0.885 63.943 63.100 -0.071 0.000 0.913 9 P CB -0.358 31.291 31.700 -0.084 0.000 0.774 10 V N 3.766 123.664 119.914 -0.027 0.000 2.338 10 V HA 0.084 4.153 4.120 -0.084 0.000 0.255 10 V C -1.013 175.080 176.094 -0.002 0.000 1.082 10 V CA -0.486 61.809 62.300 -0.008 0.000 0.951 10 V CB 0.600 32.426 31.823 0.007 0.000 1.102 10 V HN 0.265 nan 8.190 nan 0.000 0.489 11 P HA 0.100 nan 4.420 nan 0.000 0.212 11 P C 0.453 177.758 177.300 0.009 0.000 1.131 11 P CA -0.162 62.938 63.100 0.000 0.000 0.901 11 P CB 0.454 32.150 31.700 -0.007 0.000 0.788 12 L N 1.592 122.820 121.223 0.009 0.000 2.499 12 L HA 0.174 4.463 4.340 -0.084 0.000 0.273 12 L C -0.735 176.149 176.870 0.022 0.000 1.195 12 L CA 0.290 55.138 54.840 0.014 0.000 0.882 12 L CB 0.224 42.290 42.059 0.012 0.000 1.133 12 L HN -0.223 nan 8.230 nan 0.000 0.483 13 V N 5.793 125.722 119.914 0.025 0.000 2.555 13 V HA 0.398 4.468 4.120 -0.084 0.000 0.283 13 V C -0.470 175.642 176.094 0.031 0.000 1.020 13 V CA -0.801 61.519 62.300 0.033 0.000 0.883 13 V CB 1.052 32.896 31.823 0.035 0.000 1.030 13 V HN 0.743 nan 8.190 nan 0.000 0.448 14 K N 3.892 124.311 120.400 0.032 0.000 2.578 14 K HA 0.586 4.856 4.320 -0.084 0.000 0.250 14 K C -1.732 174.888 176.600 0.033 0.000 0.955 14 K CA -0.206 56.099 56.287 0.029 0.000 0.825 14 K CB 1.940 34.454 32.500 0.023 0.000 1.151 14 K HN 0.652 nan 8.250 nan 0.000 0.432 15 c N 3.348 121.969 118.600 0.035 0.000 2.316 15 c HA 0.268 4.787 4.570 -0.084 0.000 0.324 15 c C -0.354 173.756 174.090 0.034 0.000 1.226 15 c CA -0.877 55.476 56.329 0.040 0.000 1.450 15 c CB 0.556 43.096 42.510 0.051 0.000 2.123 15 c HN 0.808 nan 8.230 nan 0.000 0.454 16 D N 2.450 122.868 120.400 0.030 0.000 2.383 16 D HA 0.048 4.638 4.640 -0.084 0.000 0.252 16 D C 1.131 177.448 176.300 0.028 0.000 1.166 16 D CA 0.400 54.414 54.000 0.024 0.000 0.879 16 D CB 0.840 41.651 40.800 0.019 0.000 1.164 16 D HN 0.517 nan 8.370 nan 0.000 0.462 17 E N 3.348 123.561 120.200 0.022 0.000 2.028 17 E HA -0.139 4.160 4.350 -0.084 0.000 0.190 17 E C 1.400 178.009 176.600 0.015 0.000 0.984 17 E CA 0.738 57.151 56.400 0.022 0.000 0.800 17 E CB -0.188 29.522 29.700 0.016 0.000 0.758 17 E HN 0.546 nan 8.360 nan 0.000 0.448 18 N N 1.300 120.001 118.700 0.001 0.000 2.258 18 N HA -0.117 4.573 4.740 -0.084 0.000 0.187 18 N C 0.736 176.230 175.510 -0.027 0.000 1.012 18 N CA 0.420 53.461 53.050 -0.016 0.000 0.870 18 N CB -0.530 37.943 38.487 -0.023 0.000 0.977 18 N HN -0.033 nan 8.380 nan 0.000 0.434 19 S N 1.270 116.961 115.700 -0.015 0.000 2.715 19 S HA -0.048 4.372 4.470 -0.084 0.000 0.318 19 S C -1.577 172.975 174.600 -0.079 0.000 1.242 19 S CA -0.841 57.332 58.200 -0.045 0.000 1.044 19 S CB 0.664 63.863 63.200 -0.001 0.000 0.760 19 S HN 0.149 nan 8.310 nan 0.000 0.501 20 P HA 0.246 nan 4.420 nan 0.000 0.261 20 P C -0.949 175.966 177.300 -0.642 0.000 1.268 20 P CA 0.275 63.093 63.100 -0.471 0.000 0.833 20 P CB 0.007 31.244 31.700 -0.772 0.000 1.231 21 Y N -0.429 119.767 120.300 -0.174 0.000 2.536 21 Y HA 0.487 4.984 4.550 -0.090 0.000 0.347 21 Y C 1.080 176.542 175.900 -0.730 0.000 1.000 21 Y CA -1.470 56.381 58.100 -0.416 0.000 1.051 21 Y CB 1.660 39.961 38.460 -0.265 0.000 1.259 21 Y HN -0.402 nan 8.280 nan 0.000 0.468 22 R N 0.446 120.473 120.500 -0.789 0.000 2.738 22 R HA 0.267 4.556 4.340 -0.084 0.000 0.268 22 R C 0.063 176.177 176.300 -0.309 0.000 1.062 22 R CA -0.254 55.370 56.100 -0.793 0.000 1.158 22 R CB 0.292 30.246 30.300 -0.577 0.000 1.046 22 R HN 0.726 nan 8.270 nan 0.000 0.493 23 T N -1.405 113.038 114.554 -0.184 0.000 2.847 23 T HA 0.201 4.501 4.350 -0.084 0.000 0.279 23 T C 1.445 176.134 174.700 -0.019 0.000 0.984 23 T CA -0.905 61.161 62.100 -0.057 0.000 0.988 23 T CB 0.717 69.584 68.868 -0.002 0.000 1.040 23 T HN 0.275 nan 8.240 nan 0.000 0.528 24 I N 1.498 122.083 120.570 0.025 0.000 2.286 24 I HA -0.094 4.026 4.170 -0.084 0.000 0.245 24 I C 2.853 179.025 176.117 0.091 0.000 1.104 24 I CA 1.852 63.190 61.300 0.063 0.000 1.397 24 I CB -1.461 36.585 38.000 0.077 0.000 1.072 24 I HN 0.973 nan 8.210 nan 0.000 0.417 25 T N -1.995 112.610 114.554 0.084 0.000 3.085 25 T HA 0.138 4.437 4.350 -0.084 0.000 0.263 25 T C 1.614 176.405 174.700 0.152 0.000 1.127 25 T CA 0.860 63.022 62.100 0.104 0.000 1.103 25 T CB 0.053 68.969 68.868 0.080 0.000 0.921 25 T HN 0.492 nan 8.240 nan 0.000 0.510 26 G N 1.014 109.912 108.800 0.163 0.000 2.195 26 G HA2 -0.220 3.689 3.960 -0.084 0.000 0.246 26 G HA3 -0.220 3.689 3.960 -0.084 0.000 0.246 26 G C -0.130 174.926 174.900 0.260 0.000 0.984 26 G CA 0.048 45.316 45.100 0.281 0.000 0.633 26 G HN 0.594 nan 8.290 nan 0.000 0.525 27 D N -0.520 119.979 120.400 0.166 0.000 2.364 27 D HA 0.294 4.883 4.640 -0.084 0.000 0.236 27 D C 1.603 177.976 176.300 0.122 0.000 1.221 27 D CA 1.123 55.209 54.000 0.143 0.000 0.891 27 D CB 0.745 41.603 40.800 0.098 0.000 1.190 27 D HN 0.776 nan 8.370 nan 0.000 0.449 28 c N 0.390 119.065 118.600 0.125 0.000 4.663 28 c HA -0.196 4.323 4.570 -0.084 0.000 0.272 28 c C 2.091 176.264 174.090 0.138 0.000 1.566 28 c CA 0.307 56.706 56.329 0.116 0.000 1.735 28 c CB -2.507 40.058 42.510 0.092 0.000 1.857 28 c HN 0.796 nan 8.230 nan 0.000 0.674 29 N N 2.005 120.788 118.700 0.139 0.000 2.069 29 N HA -0.139 4.551 4.740 -0.084 0.000 0.191 29 N C 0.405 175.982 175.510 0.111 0.000 1.031 29 N CA 1.588 54.688 53.050 0.085 0.000 0.852 29 N CB -0.198 38.155 38.487 -0.223 0.000 1.018 29 N HN 0.826 nan 8.380 nan 0.000 0.423 30 N N 0.812 119.636 118.700 0.206 0.000 2.439 30 N HA 0.088 4.777 4.740 -0.084 0.000 0.249 30 N C 0.579 176.186 175.510 0.163 0.000 1.003 30 N CA -0.180 53.009 53.050 0.231 0.000 0.942 30 N CB 0.741 39.384 38.487 0.261 0.000 1.115 30 N HN 0.191 nan 8.380 nan 0.000 0.505 31 R N 2.216 122.800 120.500 0.142 0.000 2.148 31 R HA -0.045 4.244 4.340 -0.084 0.000 0.227 31 R C 1.959 178.309 176.300 0.083 0.000 1.103 31 R CA 0.904 57.063 56.100 0.099 0.000 0.983 31 R CB 0.148 30.496 30.300 0.079 0.000 0.874 31 R HN 0.551 nan 8.270 nan 0.000 0.451 32 R N -0.038 120.513 120.500 0.086 0.000 2.075 32 R HA 0.014 4.303 4.340 -0.084 0.000 0.226 32 R C 0.239 176.581 176.300 0.071 0.000 1.114 32 R CA 1.049 57.188 56.100 0.065 0.000 0.972 32 R CB 0.189 30.521 30.300 0.053 0.000 0.869 32 R HN -0.061 nan 8.270 nan 0.000 0.437 33 S N 0.676 116.431 115.700 0.091 0.000 2.395 33 S HA 0.307 4.726 4.470 -0.084 0.000 0.207 33 S C -2.008 172.661 174.600 0.115 0.000 1.454 33 S CA -1.606 56.649 58.200 0.091 0.000 1.211 33 S CB 1.695 64.949 63.200 0.089 0.000 1.093 33 S HN 0.137 nan 8.310 nan 0.000 0.472 34 P HA -0.024 nan 4.420 nan 0.000 0.222 34 P C 0.884 178.263 177.300 0.131 0.000 1.147 34 P CA 0.726 63.896 63.100 0.118 0.000 0.790 34 P CB 0.156 31.911 31.700 0.090 0.000 0.780 35 A N -0.568 122.319 122.820 0.113 0.000 2.275 35 A HA 0.171 4.440 4.320 -0.084 0.000 0.212 35 A C 1.274 178.932 177.584 0.124 0.000 1.201 35 A CA -0.210 51.892 52.037 0.109 0.000 0.843 35 A CB -0.706 18.338 19.000 0.074 0.000 0.873 35 A HN 0.125 nan 8.150 nan 0.000 0.492 36 L N 0.525 121.836 121.223 0.146 0.000 2.530 36 L HA 0.315 4.605 4.340 -0.084 0.000 0.273 36 L C 1.419 178.387 176.870 0.163 0.000 1.141 36 L CA 0.924 55.846 54.840 0.138 0.000 0.905 36 L CB 0.081 42.232 42.059 0.154 0.000 1.202 36 L HN 0.558 nan 8.230 nan 0.000 0.473 37 G N 2.432 111.243 108.800 0.019 0.000 2.176 37 G HA2 -0.210 3.700 3.960 -0.084 0.000 0.232 37 G HA3 -0.210 3.700 3.960 -0.084 0.000 0.232 37 G C 0.340 175.242 174.900 0.003 0.000 0.986 37 G CA -0.090 44.885 45.100 -0.207 0.000 0.643 37 G HN 0.857 nan 8.290 nan 0.000 0.522 38 A N 0.237 123.136 122.820 0.132 0.000 2.351 38 A HA 0.907 5.176 4.320 -0.084 0.000 0.257 38 A C 1.038 178.673 177.584 0.086 0.000 1.087 38 A CA 0.973 53.104 52.037 0.156 0.000 0.798 38 A CB 0.556 19.639 19.000 0.138 0.000 1.033 38 A HN 2.060 nan 8.150 nan 0.000 0.488 39 A N 1.168 124.044 122.820 0.094 0.000 2.366 39 A HA 0.451 4.720 4.320 -0.084 0.000 0.250 39 A C 0.877 178.483 177.584 0.037 0.000 1.099 39 A CA 0.209 52.285 52.037 0.065 0.000 0.794 39 A CB -0.218 18.832 19.000 0.082 0.000 1.056 39 A HN 1.264 nan 8.150 nan 0.000 0.499 40 N N -0.853 117.855 118.700 0.013 0.000 2.741 40 N HA -0.130 4.560 4.740 -0.084 0.000 0.250 40 N C -0.313 175.185 175.510 -0.019 0.000 1.115 40 N CA 1.339 54.380 53.050 -0.016 0.000 0.724 40 N CB -0.720 37.758 38.487 -0.015 0.000 1.090 40 N HN 0.722 nan 8.380 nan 0.000 0.558 41 R N -0.090 120.405 120.500 -0.009 0.000 2.902 41 R HA 0.713 5.003 4.340 -0.084 0.000 0.258 41 R C 0.101 176.394 176.300 -0.013 0.000 1.071 41 R CA -0.426 55.669 56.100 -0.008 0.000 1.024 41 R CB 1.125 31.430 30.300 0.009 0.000 1.184 41 R HN 0.111 nan 8.270 nan 0.000 0.492 42 A N 1.663 124.478 122.820 -0.008 0.000 2.483 42 A HA 0.211 4.480 4.320 -0.084 0.000 0.238 42 A C 0.330 177.911 177.584 -0.004 0.000 1.070 42 A CA -0.216 51.818 52.037 -0.004 0.000 0.770 42 A CB 0.035 19.038 19.000 0.006 0.000 1.008 42 A HN 0.561 nan 8.150 nan 0.000 0.497 43 L N 1.313 122.534 121.223 -0.003 0.000 2.461 43 L HA 0.306 4.595 4.340 -0.084 0.000 0.272 43 L C 1.141 178.003 176.870 -0.013 0.000 1.197 43 L CA -0.094 54.739 54.840 -0.011 0.000 0.836 43 L CB 0.528 42.593 42.059 0.009 0.000 1.105 43 L HN 0.842 nan 8.230 nan 0.000 0.477 44 A N 3.947 126.743 122.820 -0.039 0.000 2.407 44 A HA 0.402 4.671 4.320 -0.084 0.000 0.248 44 A C -0.143 177.431 177.584 -0.016 0.000 1.082 44 A CA -0.378 51.655 52.037 -0.007 0.000 0.785 44 A CB 0.249 19.270 19.000 0.036 0.000 1.020 44 A HN 0.600 nan 8.150 nan 0.000 0.489 45 R N 1.481 122.020 120.500 0.065 0.000 2.265 45 R HA 0.140 4.430 4.340 -0.084 0.000 0.328 45 R C -0.325 176.137 176.300 0.270 0.000 0.969 45 R CA -0.385 55.779 56.100 0.107 0.000 0.832 45 R CB 0.779 31.121 30.300 0.070 0.000 1.139 45 R HN 0.957 nan 8.270 nan 0.000 0.457 46 W N 2.297 123.656 121.300 0.098 0.000 2.658 46 W HA 0.189 4.797 4.660 -0.086 0.000 0.263 46 W C 0.335 176.883 176.519 0.048 0.000 1.274 46 W CA 0.270 57.673 57.345 0.095 0.000 1.343 46 W CB 0.104 29.589 29.460 0.042 0.000 1.106 46 W HN 0.259 nan 8.180 nan 0.000 0.615 47 L N -0.344 120.996 121.223 0.195 0.000 2.434 47 L HA 0.353 4.642 4.340 -0.084 0.000 0.260 47 L C -2.212 174.673 176.870 0.026 0.000 0.983 47 L CA -2.160 52.686 54.840 0.009 0.000 0.820 47 L CB 1.970 43.825 42.059 -0.342 0.000 1.361 47 L HN -0.512 nan 8.230 nan 0.000 0.410 48 P HA 0.068 nan 4.420 nan 0.000 0.266 48 P C -0.638 176.677 177.300 0.024 0.000 1.193 48 P CA -0.096 63.035 63.100 0.051 0.000 0.770 48 P CB 0.567 32.320 31.700 0.089 0.000 0.836 49 A N 2.721 125.568 122.820 0.045 0.000 2.425 49 A HA 0.182 4.451 4.320 -0.084 0.000 0.242 49 A C 0.033 177.587 177.584 -0.050 0.000 1.077 49 A CA -0.062 51.967 52.037 -0.013 0.000 0.781 49 A CB 0.010 19.039 19.000 0.047 0.000 1.020 49 A HN 0.575 nan 8.150 nan 0.000 0.494 50 E N 0.418 120.509 120.200 -0.181 0.000 2.235 50 E HA 0.421 4.720 4.350 -0.084 0.000 0.252 50 E C -1.825 174.611 176.600 -0.274 0.000 0.886 50 E CA 0.072 56.428 56.400 -0.073 0.000 0.767 50 E CB 1.253 31.004 29.700 0.085 0.000 1.205 50 E HN 0.642 nan 8.360 nan 0.000 0.421 51 Y N 0.669 120.887 120.300 -0.136 0.000 2.509 51 Y HA 0.097 4.596 4.550 -0.084 0.000 0.341 51 Y C 1.653 177.108 175.900 -0.742 0.000 1.038 51 Y CA -0.665 57.195 58.100 -0.400 0.000 1.089 51 Y CB 1.565 39.847 38.460 -0.296 0.000 1.241 51 Y HN 0.540 nan 8.280 nan 0.000 0.468 52 E N 0.909 120.562 120.200 -0.913 0.000 2.097 52 E HA -0.273 4.027 4.350 -0.084 0.000 0.196 52 E C 0.540 176.944 176.600 -0.327 0.000 1.000 52 E CA 2.114 57.974 56.400 -0.899 0.000 0.804 52 E CB 0.023 29.419 29.700 -0.506 0.000 0.740 52 E HN 0.853 nan 8.360 nan 0.000 0.454 53 D N -1.649 118.611 120.400 -0.233 0.000 2.368 53 D HA 0.120 4.710 4.640 -0.084 0.000 0.218 53 D C 1.195 177.437 176.300 -0.097 0.000 1.112 53 D CA 0.524 54.438 54.000 -0.143 0.000 0.834 53 D CB 0.301 40.998 40.800 -0.173 0.000 0.953 53 D HN 0.356 nan 8.370 nan 0.000 0.505 54 G N 0.349 109.116 108.800 -0.056 0.000 2.196 54 G HA2 -0.342 3.567 3.960 -0.084 0.000 0.268 54 G HA3 -0.342 3.567 3.960 -0.084 0.000 0.268 54 G C 0.729 175.644 174.900 0.024 0.000 0.975 54 G CA 0.966 46.080 45.100 0.023 0.000 0.648 54 G HN 0.460 nan 8.290 nan 0.000 0.538 55 L N -2.432 118.723 121.223 -0.113 0.000 2.666 55 L HA 0.623 4.913 4.340 -0.084 0.000 0.184 55 L C 2.439 178.887 176.870 -0.703 0.000 1.092 55 L CA 1.173 55.860 54.840 -0.255 0.000 0.857 55 L CB -0.094 41.825 42.059 -0.233 0.000 1.281 55 L HN 0.373 nan 8.230 nan 0.000 0.489 56 A N -1.114 121.170 122.820 -0.894 0.000 1.999 56 A HA 0.352 4.622 4.320 -0.084 0.000 0.190 56 A C 0.508 177.440 177.584 -1.085 0.000 1.737 56 A CA -0.318 50.936 52.037 -1.304 0.000 1.257 56 A CB 0.154 18.656 19.000 -0.830 0.000 1.401 56 A HN 0.060 nan 8.150 nan 0.000 0.430 57 L N 3.080 123.876 121.223 -0.713 0.000 2.455 57 L HA 0.235 4.524 4.340 -0.084 0.000 0.272 57 L C -2.119 174.581 176.870 -0.284 0.000 1.174 57 L CA -1.470 52.965 54.840 -0.676 0.000 0.869 57 L CB 0.491 42.124 42.059 -0.710 0.000 1.130 57 L HN 0.231 nan 8.230 nan 0.000 0.474 58 P HA 0.091 nan 4.420 nan 0.000 0.276 58 P C -0.701 176.592 177.300 -0.011 0.000 1.244 58 P CA -0.420 62.650 63.100 -0.051 0.000 0.801 58 P CB 0.650 32.294 31.700 -0.094 0.000 1.006 59 F N 0.632 120.659 119.950 0.128 0.000 2.538 59 F HA 0.326 4.802 4.527 -0.085 0.000 0.371 59 F C 1.874 177.814 175.800 0.234 0.000 1.087 59 F CA 1.879 59.972 58.000 0.156 0.000 1.250 59 F CB 0.078 39.151 39.000 0.122 0.000 1.110 59 F HN 0.699 nan 8.300 nan 0.000 0.570 60 G N 3.114 112.182 108.800 0.446 0.000 2.184 60 G HA2 -0.268 3.642 3.960 -0.084 0.000 0.206 60 G HA3 -0.268 3.642 3.960 -0.084 0.000 0.206 60 G C 0.730 175.877 174.900 0.411 0.000 0.995 60 G CA 0.065 45.394 45.100 0.382 0.000 0.651 60 G HN 0.771 nan 8.290 nan 0.000 0.511 61 W N 1.346 122.729 121.300 0.138 0.000 2.501 61 W HA 0.203 4.812 4.660 -0.084 0.000 0.309 61 W C 0.172 176.727 176.519 0.060 0.000 1.165 61 W CA 1.831 59.205 57.345 0.048 0.000 1.381 61 W CB -0.084 29.287 29.460 -0.149 0.000 1.142 61 W HN 0.154 nan 8.180 nan 0.000 0.509 62 T N 2.615 117.345 114.554 0.293 0.000 2.743 62 T HA 0.097 4.396 4.350 -0.084 0.000 0.293 62 T C 0.773 175.543 174.700 0.116 0.000 0.945 62 T CA -0.315 61.879 62.100 0.155 0.000 1.030 62 T CB 1.844 70.831 68.868 0.198 0.000 0.912 62 T HN -0.052 nan 8.240 nan 0.000 0.483 63 Q N 2.650 122.483 119.800 0.054 0.000 2.045 63 Q HA -0.212 4.077 4.340 -0.084 0.000 0.206 63 Q C 2.376 178.418 176.000 0.071 0.000 0.991 63 Q CA 1.777 57.612 55.803 0.053 0.000 0.851 63 Q CB -0.316 28.433 28.738 0.019 0.000 0.911 63 Q HN 0.757 nan 8.270 nan 0.000 0.418 64 R N 0.192 120.729 120.500 0.062 0.000 2.237 64 R HA 0.039 4.328 4.340 -0.084 0.000 0.219 64 R C 0.118 176.465 176.300 0.078 0.000 1.080 64 R CA 0.684 56.820 56.100 0.059 0.000 0.995 64 R CB -0.077 30.249 30.300 0.044 0.000 0.875 64 R HN -0.063 nan 8.270 nan 0.000 0.462 65 K N 2.443 122.909 120.400 0.110 0.000 2.258 65 K HA 0.085 4.355 4.320 -0.084 0.000 0.284 65 K C -0.212 176.501 176.600 0.187 0.000 1.051 65 K CA -0.011 56.360 56.287 0.140 0.000 0.923 65 K CB 1.647 34.238 32.500 0.152 0.000 1.046 65 K HN 0.254 nan 8.250 nan 0.000 0.474 66 T N 0.174 114.823 114.554 0.159 0.000 2.912 66 T HA 0.358 4.657 4.350 -0.084 0.000 0.280 66 T C -0.020 174.778 174.700 0.164 0.000 0.989 66 T CA -0.979 61.206 62.100 0.142 0.000 0.995 66 T CB 1.537 70.430 68.868 0.041 0.000 1.077 66 T HN 0.546 nan 8.240 nan 0.000 0.531 67 R N 1.110 121.614 120.500 0.007 0.000 2.288 67 R HA 0.305 4.594 4.340 -0.084 0.000 0.326 67 R C -0.198 176.040 176.300 -0.104 0.000 0.959 67 R CA -0.382 55.546 56.100 -0.287 0.000 0.834 67 R CB -0.055 29.782 30.300 -0.771 0.000 1.157 67 R HN 0.832 nan 8.270 nan 0.000 0.470 68 N N 3.088 121.748 118.700 -0.067 0.000 2.714 68 N HA -0.208 4.481 4.740 -0.084 0.000 0.250 68 N C 0.369 175.811 175.510 -0.113 0.000 1.117 68 N CA 1.671 54.703 53.050 -0.030 0.000 0.719 68 N CB -0.914 37.587 38.487 0.024 0.000 1.081 68 N HN 1.072 nan 8.380 nan 0.000 0.557 69 G N -1.906 106.784 108.800 -0.184 0.000 2.141 69 G HA2 -0.257 3.653 3.960 -0.084 0.000 0.231 69 G HA3 -0.257 3.653 3.960 -0.084 0.000 0.231 69 G C -0.157 174.297 174.900 -0.743 0.000 0.984 69 G CA 0.233 45.063 45.100 -0.450 0.000 0.660 69 G HN 0.402 nan 8.290 nan 0.000 0.525 70 F N -0.899 119.057 119.950 0.010 0.000 2.613 70 F HA 0.698 5.174 4.527 -0.084 0.000 0.310 70 F C 0.593 176.405 175.800 0.020 0.000 1.085 70 F CA -1.309 56.700 58.000 0.015 0.000 0.945 70 F CB 1.405 40.415 39.000 0.016 0.000 1.298 70 F HN -0.036 nan 8.300 nan 0.000 0.455 71 R N 0.803 121.450 120.500 0.246 0.000 2.539 71 R HA 0.560 4.850 4.340 -0.084 0.000 0.275 71 R C -1.001 175.374 176.300 0.125 0.000 1.077 71 R CA -0.622 55.569 56.100 0.151 0.000 1.097 71 R CB 1.110 31.475 30.300 0.108 0.000 1.018 71 R HN 0.468 nan 8.270 nan 0.000 0.483 72 V N 1.208 121.189 119.914 0.112 0.000 2.509 72 V HA 0.463 4.533 4.120 -0.084 0.000 0.284 72 V C -1.836 174.260 176.094 0.003 0.000 1.047 72 V CA -2.103 60.249 62.300 0.087 0.000 0.952 72 V CB 0.894 32.810 31.823 0.154 0.000 0.988 72 V HN 0.724 nan 8.190 nan 0.000 0.469 73 P HA 0.270 nan 4.420 nan 0.000 0.272 73 P C -0.210 177.029 177.300 -0.103 0.000 1.223 73 P CA -0.468 62.526 63.100 -0.177 0.000 0.784 73 P CB 0.932 32.399 31.700 -0.388 0.000 0.923 74 L N 1.437 122.613 121.223 -0.079 0.000 2.485 74 L HA 0.010 4.299 4.340 -0.084 0.000 0.275 74 L C 2.069 178.899 176.870 -0.067 0.000 1.207 74 L CA -0.116 54.682 54.840 -0.070 0.000 0.855 74 L CB 0.053 42.073 42.059 -0.065 0.000 1.114 74 L HN 0.487 nan 8.230 nan 0.000 0.485 75 A N 3.023 125.794 122.820 -0.082 0.000 1.883 75 A HA -0.234 4.035 4.320 -0.084 0.000 0.217 75 A C 2.278 179.853 177.584 -0.014 0.000 1.186 75 A CA 1.933 53.939 52.037 -0.052 0.000 0.624 75 A CB -0.413 18.506 19.000 -0.134 0.000 0.822 75 A HN 0.860 nan 8.150 nan 0.000 0.444 76 R N 0.126 120.611 120.500 -0.025 0.000 2.120 76 R HA -0.103 4.186 4.340 -0.084 0.000 0.234 76 R C 2.002 178.325 176.300 0.038 0.000 1.123 76 R CA 2.002 58.123 56.100 0.035 0.000 0.975 76 R CB -0.532 29.824 30.300 0.094 0.000 0.866 76 R HN 0.711 nan 8.270 nan 0.000 0.446 77 E N -0.699 119.506 120.200 0.008 0.000 2.047 77 E HA -0.130 4.170 4.350 -0.084 0.000 0.191 77 E C 1.741 178.340 176.600 -0.002 0.000 0.987 77 E CA 1.494 57.891 56.400 -0.005 0.000 0.799 77 E CB 0.079 29.756 29.700 -0.037 0.000 0.752 77 E HN 0.190 nan 8.360 nan 0.000 0.449 78 V N 0.656 120.564 119.914 -0.009 0.000 2.392 78 V HA -0.271 3.798 4.120 -0.084 0.000 0.249 78 V C 2.435 178.588 176.094 0.098 0.000 1.059 78 V CA 1.893 64.210 62.300 0.030 0.000 1.051 78 V CB -0.583 31.284 31.823 0.074 0.000 0.658 78 V HN 0.286 nan 8.190 nan 0.000 0.455 79 S N 0.445 116.209 115.700 0.108 0.000 2.343 79 S HA -0.221 4.199 4.470 -0.084 0.000 0.219 79 S C 1.956 176.618 174.600 0.104 0.000 1.033 79 S CA 1.918 60.201 58.200 0.138 0.000 1.014 79 S CB -0.437 62.834 63.200 0.117 0.000 0.915 79 S HN 0.673 nan 8.310 nan 0.000 0.435 80 N N 1.289 120.029 118.700 0.066 0.000 2.166 80 N HA -0.051 4.639 4.740 -0.084 0.000 0.186 80 N C 1.623 177.159 175.510 0.045 0.000 1.019 80 N CA 1.107 54.183 53.050 0.045 0.000 0.856 80 N CB -0.291 38.207 38.487 0.019 0.000 0.993 80 N HN 0.548 nan 8.380 nan 0.000 0.426 81 K N -0.213 120.210 120.400 0.039 0.000 2.305 81 K HA 0.152 4.422 4.320 -0.084 0.000 0.199 81 K C 1.368 177.997 176.600 0.048 0.000 1.047 81 K CA 0.550 56.856 56.287 0.032 0.000 0.976 81 K CB 0.556 33.062 32.500 0.009 0.000 0.765 81 K HN 0.160 nan 8.250 nan 0.000 0.474 82 I N -1.029 119.583 120.570 0.070 0.000 4.033 82 I HA -0.103 4.016 4.170 -0.084 0.000 0.296 82 I C 1.679 177.859 176.117 0.106 0.000 1.210 82 I CA 0.181 61.526 61.300 0.075 0.000 1.341 82 I CB 0.702 38.744 38.000 0.069 0.000 1.369 82 I HN -0.238 nan 8.210 nan 0.000 0.453 83 V N 0.956 120.957 119.914 0.144 0.000 2.488 83 V HA 0.077 4.146 4.120 -0.084 0.000 0.246 83 V C 1.523 177.758 176.094 0.235 0.000 1.046 83 V CA 1.110 63.529 62.300 0.198 0.000 1.053 83 V CB -1.324 30.660 31.823 0.268 0.000 0.679 83 V HN 0.392 nan 8.190 nan 0.000 0.458 84 G N -0.401 108.505 108.800 0.177 0.000 2.634 84 G HA2 0.427 4.336 3.960 -0.084 0.000 0.255 84 G HA3 0.427 4.336 3.960 -0.084 0.000 0.255 84 G C -0.849 174.196 174.900 0.242 0.000 1.205 84 G CA 0.277 45.464 45.100 0.145 0.000 0.884 84 G HN 0.620 nan 8.290 nan 0.000 0.549 85 Y N -2.237 118.096 120.300 0.055 0.000 2.638 85 Y HA 0.430 4.929 4.550 -0.085 0.000 0.334 85 Y C -0.256 175.671 175.900 0.044 0.000 1.182 85 Y CA -1.187 56.940 58.100 0.046 0.000 1.102 85 Y CB 0.562 39.052 38.460 0.050 0.000 1.343 85 Y HN 0.288 nan 8.280 nan 0.000 0.463 86 L N 0.281 121.567 121.223 0.105 0.000 2.316 86 L HA 0.201 4.490 4.340 -0.084 0.000 0.207 86 L C 0.078 177.011 176.870 0.105 0.000 1.070 86 L CA 0.446 55.297 54.840 0.019 0.000 0.820 86 L CB 0.227 42.309 42.059 0.038 0.000 0.992 86 L HN 0.656 nan 8.230 nan 0.000 0.466 87 D N 1.081 121.632 120.400 0.253 0.000 2.347 87 D HA 0.049 4.638 4.640 -0.084 0.000 0.235 87 D C 0.616 177.099 176.300 0.305 0.000 1.149 87 D CA 0.004 54.130 54.000 0.210 0.000 0.850 87 D CB 1.103 41.985 40.800 0.137 0.000 1.061 87 D HN 0.009 nan 8.370 nan 0.000 0.487 88 E N 2.251 122.595 120.200 0.239 0.000 2.494 88 E HA -0.001 4.298 4.350 -0.084 0.000 0.193 88 E C 0.009 176.703 176.600 0.158 0.000 1.074 88 E CA 0.136 56.695 56.400 0.264 0.000 0.867 88 E CB 0.370 30.186 29.700 0.193 0.000 0.924 88 E HN 0.507 nan 8.360 nan 0.000 0.502 89 E N 0.064 120.334 120.200 0.117 0.000 2.331 89 E HA 0.224 4.524 4.350 -0.084 0.000 0.272 89 E C 0.964 177.599 176.600 0.058 0.000 1.036 89 E CA -0.025 56.422 56.400 0.078 0.000 0.864 89 E CB 1.119 30.857 29.700 0.063 0.000 1.035 89 E HN 0.258 nan 8.360 nan 0.000 0.408 90 G N 1.953 110.782 108.800 0.048 0.000 2.180 90 G HA2 -0.310 3.600 3.960 -0.084 0.000 0.263 90 G HA3 -0.310 3.600 3.960 -0.084 0.000 0.263 90 G C 0.840 175.751 174.900 0.019 0.000 0.989 90 G CA 0.586 45.705 45.100 0.031 0.000 0.692 90 G HN 0.457 nan 8.290 nan 0.000 0.526 91 V N 0.230 120.162 119.914 0.029 0.000 3.235 91 V HA 0.379 4.448 4.120 -0.084 0.000 0.259 91 V C 1.562 177.678 176.094 0.037 0.000 1.133 91 V CA 0.642 62.945 62.300 0.005 0.000 1.128 91 V CB -0.122 31.706 31.823 0.008 0.000 0.757 91 V HN 0.413 nan 8.190 nan 0.000 0.469 92 L N 1.336 122.594 121.223 0.057 0.000 2.456 92 L HA 0.204 4.493 4.340 -0.084 0.000 0.272 92 L C 0.322 177.225 176.870 0.056 0.000 1.189 92 L CA 0.089 54.971 54.840 0.070 0.000 0.846 92 L CB 0.112 42.216 42.059 0.075 0.000 1.111 92 L HN 0.139 nan 8.230 nan 0.000 0.475 93 D N 2.849 123.289 120.400 0.067 0.000 2.374 93 D HA -0.012 4.577 4.640 -0.084 0.000 0.240 93 D C 0.849 177.167 176.300 0.030 0.000 1.229 93 D CA -0.150 53.877 54.000 0.044 0.000 0.895 93 D CB 1.038 41.873 40.800 0.059 0.000 1.046 93 D HN 0.401 nan 8.370 nan 0.000 0.498 94 Q N 2.300 122.111 119.800 0.018 0.000 2.515 94 Q HA -0.151 4.138 4.340 -0.084 0.000 0.215 94 Q C 0.593 176.594 176.000 0.001 0.000 0.983 94 Q CA 0.773 56.586 55.803 0.016 0.000 0.905 94 Q CB -0.020 28.725 28.738 0.011 0.000 0.961 94 Q HN 0.400 nan 8.270 nan 0.000 0.503 95 N N -0.041 118.644 118.700 -0.025 0.000 2.307 95 N HA 0.054 4.744 4.740 -0.084 0.000 0.248 95 N C -1.159 174.285 175.510 -0.110 0.000 1.322 95 N CA -0.048 52.968 53.050 -0.057 0.000 0.861 95 N CB 0.653 39.098 38.487 -0.070 0.000 1.303 95 N HN -0.153 nan 8.380 nan 0.000 0.498 96 R N 0.561 121.010 120.500 -0.086 0.000 2.515 96 R HA 0.312 4.601 4.340 -0.084 0.000 0.291 96 R C -0.330 176.009 176.300 0.065 0.000 1.046 96 R CA -0.465 55.556 56.100 -0.131 0.000 0.914 96 R CB 1.237 31.336 30.300 -0.335 0.000 1.191 96 R HN 0.280 nan 8.270 nan 0.000 0.435 97 S N 1.430 117.208 115.700 0.129 0.000 2.596 97 S HA 0.050 4.470 4.470 -0.084 0.000 0.260 97 S C 1.203 175.947 174.600 0.240 0.000 1.336 97 S CA -0.566 57.732 58.200 0.163 0.000 0.993 97 S CB 0.681 63.960 63.200 0.132 0.000 0.923 97 S HN 0.547 nan 8.310 nan 0.000 0.567 98 L N 0.565 121.904 121.223 0.193 0.000 2.376 98 L HA 0.167 4.457 4.340 -0.084 0.000 0.219 98 L C 1.869 178.863 176.870 0.208 0.000 1.133 98 L CA 1.116 56.072 54.840 0.194 0.000 0.816 98 L CB -1.195 40.948 42.059 0.139 0.000 0.933 98 L HN 0.811 nan 8.230 nan 0.000 0.449 99 L N -1.446 119.898 121.223 0.201 0.000 2.201 99 L HA -0.162 4.127 4.340 -0.084 0.000 0.212 99 L C 2.214 179.345 176.870 0.435 0.000 1.105 99 L CA 1.513 56.455 54.840 0.171 0.000 0.775 99 L CB -0.892 41.117 42.059 -0.082 0.000 0.913 99 L HN 0.347 nan 8.230 nan 0.000 0.440 100 F N -0.277 119.899 119.950 0.376 0.000 2.046 100 F HA -0.298 4.176 4.527 -0.088 0.000 0.297 100 F C 2.506 178.476 175.800 0.282 0.000 1.123 100 F CA 2.368 60.576 58.000 0.346 0.000 1.199 100 F CB -0.519 38.629 39.000 0.247 0.000 0.972 100 F HN 0.216 nan 8.300 nan 0.000 0.474 101 M N 0.371 120.071 119.600 0.168 0.000 2.080 101 M HA -0.244 4.185 4.480 -0.084 0.000 0.260 101 M C 2.189 178.453 176.300 -0.061 0.000 1.068 101 M CA 2.036 57.331 55.300 -0.009 0.000 1.109 101 M CB -1.135 31.530 32.600 0.109 0.000 1.342 101 M HN 0.370 nan 8.290 nan 0.000 0.405 102 Q N -0.110 119.710 119.800 0.034 0.000 2.124 102 Q HA -0.211 4.078 4.340 -0.084 0.000 0.202 102 Q C 1.907 177.875 176.000 -0.052 0.000 0.977 102 Q CA 2.229 58.028 55.803 -0.007 0.000 0.850 102 Q CB -0.932 27.843 28.738 0.062 0.000 0.901 102 Q HN 0.727 nan 8.270 nan 0.000 0.429 103 W N -0.025 121.182 121.300 -0.155 0.000 2.388 103 W HA -0.088 4.521 4.660 -0.084 0.000 0.294 103 W C 1.599 177.803 176.519 -0.525 0.000 1.212 103 W CA 1.400 58.593 57.345 -0.253 0.000 1.271 103 W CB -0.367 28.972 29.460 -0.201 0.000 1.126 103 W HN 0.322 nan 8.180 nan 0.000 0.535 104 G N 0.397 108.867 108.800 -0.550 0.000 2.440 104 G HA2 -0.379 3.530 3.960 -0.084 0.000 0.218 104 G HA3 -0.379 3.530 3.960 -0.084 0.000 0.218 104 G C 1.406 175.876 174.900 -0.716 0.000 1.154 104 G CA 1.204 45.961 45.100 -0.571 0.000 0.767 104 G HN 0.421 nan 8.290 nan 0.000 0.552 105 Q N -0.392 119.033 119.800 -0.625 0.000 2.119 105 Q HA -0.064 4.225 4.340 -0.084 0.000 0.201 105 Q C 2.531 178.042 176.000 -0.816 0.000 0.972 105 Q CA 0.763 56.124 55.803 -0.736 0.000 0.847 105 Q CB -0.128 28.270 28.738 -0.565 0.000 0.903 105 Q HN 0.387 nan 8.270 nan 0.000 0.433 106 I N 0.322 120.484 120.570 -0.679 0.000 2.099 106 I HA -0.257 3.862 4.170 -0.084 0.000 0.239 106 I C 2.382 178.149 176.117 -0.583 0.000 1.066 106 I CA 1.059 61.968 61.300 -0.652 0.000 1.324 106 I CB -1.097 36.419 38.000 -0.807 0.000 1.037 106 I HN 0.157 nan 8.210 nan 0.000 0.401 107 V N 1.375 120.863 119.914 -0.711 0.000 2.332 107 V HA -0.299 3.770 4.120 -0.084 0.000 0.248 107 V C 2.464 178.532 176.094 -0.042 0.000 1.055 107 V CA 2.201 64.308 62.300 -0.321 0.000 1.038 107 V CB -0.752 30.963 31.823 -0.179 0.000 0.651 107 V HN 0.505 nan 8.190 nan 0.000 0.450 108 D N -0.401 119.821 120.400 -0.297 0.000 2.117 108 D HA -0.238 4.351 4.640 -0.084 0.000 0.197 108 D C 1.923 178.209 176.300 -0.023 0.000 0.987 108 D CA 1.815 55.609 54.000 -0.343 0.000 0.829 108 D CB -0.245 40.049 40.800 -0.844 0.000 0.961 108 D HN 0.689 nan 8.370 nan 0.000 0.460 109 H N -0.524 118.419 119.070 -0.211 0.000 2.495 109 H HA -0.073 4.432 4.556 -0.084 0.000 0.287 109 H C 1.688 176.987 175.328 -0.048 0.000 1.033 109 H CA 0.633 56.599 56.048 -0.136 0.000 1.307 109 H CB 0.340 30.011 29.762 -0.151 0.000 1.401 109 H HN 0.187 nan 8.280 nan 0.000 0.555 110 D N 0.878 121.332 120.400 0.090 0.000 2.144 110 D HA -0.108 4.482 4.640 -0.084 0.000 0.200 110 D C 2.054 178.450 176.300 0.161 0.000 0.978 110 D CA 0.742 54.812 54.000 0.116 0.000 0.833 110 D CB 0.220 41.085 40.800 0.110 0.000 0.961 110 D HN 0.365 nan 8.370 nan 0.000 0.470 111 L N -0.044 121.294 121.223 0.192 0.000 2.168 111 L HA 0.084 4.373 4.340 -0.084 0.000 0.203 111 L C 0.444 177.414 176.870 0.167 0.000 1.078 111 L CA 0.624 55.588 54.840 0.206 0.000 0.780 111 L CB 0.025 42.277 42.059 0.321 0.000 0.939 111 L HN 0.036 nan 8.230 nan 0.000 0.451 112 D N -1.813 118.688 120.400 0.169 0.000 2.736 112 D HA 0.348 4.937 4.640 -0.084 0.000 0.223 112 D C -1.442 174.974 176.300 0.195 0.000 1.231 112 D CA -0.379 53.710 54.000 0.147 0.000 0.818 112 D CB 2.946 43.821 40.800 0.124 0.000 1.587 112 D HN -0.224 nan 8.370 nan 0.000 0.463 113 F N 0.792 120.719 119.950 -0.038 0.000 2.839 113 F HA 0.518 4.995 4.527 -0.083 0.000 0.344 113 F C -1.695 174.067 175.800 -0.064 0.000 1.242 113 F CA -0.887 57.067 58.000 -0.077 0.000 1.091 113 F CB 1.704 40.648 39.000 -0.093 0.000 1.374 113 F HN 0.602 nan 8.300 nan 0.000 0.553 114 A N 7.724 130.394 122.820 -0.251 0.000 2.937 114 A HA 0.657 4.926 4.320 -0.084 0.000 0.338 114 A C -2.691 174.578 177.584 -0.526 0.000 1.273 114 A CA -1.386 50.476 52.037 -0.292 0.000 0.937 114 A CB -0.573 18.434 19.000 0.011 0.000 1.133 114 A HN 0.363 nan 8.150 nan 0.000 0.491 115 P HA 0.180 nan 4.420 nan 0.000 0.272 115 P C -0.109 176.937 177.300 -0.422 0.000 1.223 115 P CA -0.080 62.483 63.100 -0.895 0.000 0.784 115 P CB 0.618 31.614 31.700 -1.173 0.000 0.923 116 E N -0.029 119.988 120.200 -0.305 0.000 2.459 116 E HA 0.087 4.386 4.350 -0.084 0.000 0.264 116 E C 0.410 176.900 176.600 -0.182 0.000 1.055 116 E CA 0.239 56.529 56.400 -0.182 0.000 0.957 116 E CB -0.002 29.610 29.700 -0.147 0.000 0.952 116 E HN 0.506 nan 8.360 nan 0.000 0.448 117 T N -0.483 114.011 114.554 -0.100 0.000 2.918 117 T HA 0.119 4.419 4.350 -0.084 0.000 0.302 117 T C 0.072 174.688 174.700 -0.140 0.000 1.045 117 T CA -0.658 61.373 62.100 -0.115 0.000 1.114 117 T CB 1.011 69.864 68.868 -0.026 0.000 0.965 117 T HN 0.498 nan 8.240 nan 0.000 0.540 118 E N 1.616 121.719 120.200 -0.162 0.000 2.255 118 E HA 0.398 4.698 4.350 -0.084 0.000 0.245 118 E C -0.593 175.931 176.600 -0.128 0.000 0.909 118 E CA -0.651 55.655 56.400 -0.157 0.000 0.747 118 E CB 0.537 30.136 29.700 -0.168 0.000 1.215 118 E HN 0.572 nan 8.360 nan 0.000 0.424 119 L N 3.692 124.853 121.223 -0.103 0.000 3.202 119 L HA 0.540 4.830 4.340 -0.084 0.000 0.278 119 L C 0.359 177.184 176.870 -0.076 0.000 1.268 119 L CA 0.124 54.920 54.840 -0.074 0.000 1.034 119 L CB 1.004 43.040 42.059 -0.038 0.000 1.407 119 L HN 0.525 nan 8.230 nan 0.000 0.581 120 G N -0.566 108.165 108.800 -0.116 0.000 4.757 120 G HA2 0.279 4.189 3.960 -0.084 0.000 0.303 120 G HA3 0.279 4.189 3.960 -0.084 0.000 0.303 120 G C -0.392 174.428 174.900 -0.134 0.000 1.318 120 G CA -0.135 44.884 45.100 -0.134 0.000 1.020 120 G HN 0.234 nan 8.290 nan 0.000 0.589 121 S N 1.752 117.387 115.700 -0.108 0.000 2.423 121 S HA 0.313 4.732 4.470 -0.084 0.000 0.317 121 S C 0.489 175.033 174.600 -0.093 0.000 1.065 121 S CA -0.580 57.561 58.200 -0.098 0.000 1.111 121 S CB 0.595 63.745 63.200 -0.083 0.000 0.968 121 S HN 0.612 nan 8.310 nan 0.000 0.474 122 N N 2.536 121.170 118.700 -0.109 0.000 2.688 122 N HA -0.173 4.517 4.740 -0.084 0.000 0.261 122 N C -0.792 174.630 175.510 -0.147 0.000 1.116 122 N CA 0.579 53.555 53.050 -0.122 0.000 0.689 122 N CB -0.423 38.010 38.487 -0.090 0.000 0.882 122 N HN 0.733 nan 8.380 nan 0.000 0.554 123 E N -0.317 119.777 120.200 -0.176 0.000 2.416 123 E HA 0.490 4.790 4.350 -0.084 0.000 0.273 123 E C 0.312 176.782 176.600 -0.217 0.000 0.935 123 E CA -0.568 55.736 56.400 -0.159 0.000 0.784 123 E CB 0.925 30.578 29.700 -0.080 0.000 1.301 123 E HN 0.323 nan 8.360 nan 0.000 0.454 124 H N 0.455 119.532 119.070 0.012 0.000 2.506 124 H HA 0.115 4.621 4.556 -0.084 0.000 0.289 124 H C 1.354 176.717 175.328 0.059 0.000 1.009 124 H CA 0.744 56.813 56.048 0.036 0.000 1.303 124 H CB 0.452 30.245 29.762 0.052 0.000 1.453 124 H HN 0.394 nan 8.280 nan 0.000 0.526 125 S N 0.840 116.652 115.700 0.187 0.000 2.488 125 S HA -0.126 4.293 4.470 -0.084 0.000 0.246 125 S C 1.817 176.513 174.600 0.160 0.000 0.992 125 S CA 1.039 59.340 58.200 0.168 0.000 0.963 125 S CB -0.062 63.220 63.200 0.137 0.000 0.754 125 S HN 0.390 nan 8.310 nan 0.000 0.519 126 K N -0.023 120.415 120.400 0.063 0.000 2.076 126 K HA -0.035 4.235 4.320 -0.084 0.000 0.204 126 K C 2.389 179.077 176.600 0.147 0.000 1.051 126 K CA 1.675 57.954 56.287 -0.014 0.000 0.949 126 K CB -0.355 32.064 32.500 -0.135 0.000 0.726 126 K HN 0.568 nan 8.250 nan 0.000 0.443 127 T N -1.202 113.427 114.554 0.125 0.000 3.035 127 T HA -0.113 4.186 4.350 -0.084 0.000 0.259 127 T C 1.995 176.784 174.700 0.149 0.000 1.078 127 T CA 0.520 62.696 62.100 0.127 0.000 1.132 127 T CB 0.019 68.940 68.868 0.089 0.000 0.900 127 T HN 0.187 nan 8.240 nan 0.000 0.480 128 Q N -0.142 119.784 119.800 0.210 0.000 2.226 128 Q HA -0.106 4.183 4.340 -0.084 0.000 0.204 128 Q C 2.303 178.438 176.000 0.225 0.000 0.975 128 Q CA 1.531 57.488 55.803 0.257 0.000 0.866 128 Q CB -0.610 28.270 28.738 0.237 0.000 0.915 128 Q HN 0.617 nan 8.270 nan 0.000 0.440 129 c N -0.051 118.693 118.600 0.240 0.000 2.492 129 c HA 0.038 4.557 4.570 -0.084 0.000 0.279 129 c C 2.428 176.584 174.090 0.110 0.000 1.335 129 c CA 0.773 57.214 56.329 0.186 0.000 1.734 129 c CB -0.511 42.182 42.510 0.305 0.000 2.027 129 c HN 0.744 nan 8.230 nan 0.000 0.496 130 E N 0.526 120.830 120.200 0.173 0.000 2.006 130 E HA -0.192 4.107 4.350 -0.084 0.000 0.192 130 E C 2.075 178.657 176.600 -0.029 0.000 0.993 130 E CA 1.392 57.855 56.400 0.106 0.000 0.808 130 E CB -0.197 29.614 29.700 0.186 0.000 0.764 130 E HN 0.602 nan 8.360 nan 0.000 0.449 131 E N -0.775 119.352 120.200 -0.121 0.000 2.049 131 E HA -0.208 4.092 4.350 -0.084 0.000 0.198 131 E C 1.543 177.841 176.600 -0.504 0.000 1.007 131 E CA 1.661 57.813 56.400 -0.412 0.000 0.809 131 E CB -0.054 29.201 29.700 -0.742 0.000 0.749 131 E HN 0.441 nan 8.360 nan 0.000 0.450 132 Y N -1.801 118.517 120.300 0.030 0.000 2.467 132 Y HA 0.212 4.711 4.550 -0.084 0.000 0.250 132 Y C 0.519 176.409 175.900 -0.017 0.000 1.155 132 Y CA -0.613 57.492 58.100 0.008 0.000 1.249 132 Y CB 0.334 38.801 38.460 0.012 0.000 1.146 132 Y HN 0.015 nan 8.280 nan 0.000 0.524 133 c N 1.950 120.585 118.600 0.058 0.000 4.235 133 c HA -0.244 4.276 4.570 -0.084 0.000 0.301 133 c C 0.465 174.552 174.090 -0.006 0.000 1.409 133 c CA -0.486 55.833 56.329 -0.018 0.000 2.024 133 c CB -3.045 39.422 42.510 -0.071 0.000 1.286 133 c HN 0.366 nan 8.230 nan 0.000 0.746 134 I N 1.063 121.659 120.570 0.044 0.000 2.297 134 I HA 0.206 4.325 4.170 -0.084 0.000 0.291 134 I C 0.630 176.747 176.117 -0.000 0.000 1.033 134 I CA 0.291 61.602 61.300 0.018 0.000 1.253 134 I CB 0.782 38.812 38.000 0.051 0.000 1.396 134 I HN 0.434 nan 8.210 nan 0.000 0.476 135 Q N 5.502 125.256 119.800 -0.077 0.000 2.364 135 Q HA 0.486 4.776 4.340 -0.084 0.000 0.267 135 Q C -0.227 175.722 176.000 -0.085 0.000 0.999 135 Q CA -0.060 55.661 55.803 -0.136 0.000 0.886 135 Q CB 1.058 29.571 28.738 -0.374 0.000 1.243 135 Q HN 0.906 nan 8.270 nan 0.000 0.415 136 G N 3.070 111.927 108.800 0.094 0.000 2.270 136 G HA2 0.182 4.091 3.960 -0.084 0.000 0.295 136 G HA3 0.182 4.091 3.960 -0.084 0.000 0.295 136 G C -1.144 173.977 174.900 0.369 0.000 1.732 136 G CA -0.173 45.088 45.100 0.269 0.000 0.909 136 G HN 0.798 nan 8.290 nan 0.000 0.730 137 D N 0.221 120.858 120.400 0.396 0.000 3.798 137 D HA -0.228 4.362 4.640 -0.084 0.000 0.150 137 D C 1.056 177.521 176.300 0.275 0.000 0.953 137 D CA 1.391 55.538 54.000 0.245 0.000 1.089 137 D CB -0.481 40.434 40.800 0.192 0.000 0.535 137 D HN 0.473 nan 8.370 nan 0.000 0.563 138 N N 0.276 119.133 118.700 0.262 0.000 2.461 138 N HA 0.026 4.715 4.740 -0.084 0.000 0.188 138 N C 0.506 176.257 175.510 0.402 0.000 1.134 138 N CA 0.271 53.501 53.050 0.300 0.000 0.878 138 N CB -0.204 38.440 38.487 0.261 0.000 0.972 138 N HN 0.328 nan 8.380 nan 0.000 0.456 139 c N 1.526 120.359 118.600 0.388 0.000 2.303 139 c HA 0.407 4.926 4.570 -0.084 0.000 0.341 139 c C -0.340 173.974 174.090 0.374 0.000 1.244 139 c CA -0.705 55.795 56.329 0.285 0.000 1.765 139 c CB -1.743 40.904 42.510 0.229 0.000 2.379 139 c HN 0.254 nan 8.230 nan 0.000 0.530 140 F N 9.240 129.285 119.950 0.158 0.000 2.622 140 F HA 0.486 4.962 4.527 -0.085 0.000 0.338 140 F C -2.574 173.243 175.800 0.029 0.000 1.334 140 F CA -3.124 54.994 58.000 0.196 0.000 1.179 140 F CB 0.491 39.760 39.000 0.447 0.000 1.471 140 F HN 0.440 nan 8.300 nan 0.000 0.576 141 P HA 0.180 nan 4.420 nan 0.000 0.269 141 P C -0.168 176.861 177.300 -0.452 0.000 1.209 141 P CA 0.207 63.142 63.100 -0.275 0.000 0.776 141 P CB 0.988 32.555 31.700 -0.222 0.000 0.876 142 I N 3.300 123.602 120.570 -0.447 0.000 2.287 142 I HA 0.161 4.280 4.170 -0.084 0.000 0.290 142 I C 0.507 176.325 176.117 -0.499 0.000 1.069 142 I CA -0.462 60.550 61.300 -0.480 0.000 1.237 142 I CB 0.152 37.917 38.000 -0.392 0.000 1.418 142 I HN 0.109 nan 8.210 nan 0.000 0.481 143 M N 5.738 125.094 119.600 -0.407 0.000 2.242 143 M HA 0.317 4.747 4.480 -0.084 0.000 0.344 143 M C -0.228 175.894 176.300 -0.295 0.000 1.140 143 M CA 0.132 55.203 55.300 -0.381 0.000 1.160 143 M CB -0.072 32.397 32.600 -0.218 0.000 1.491 143 M HN 0.230 nan 8.290 nan 0.000 0.459 144 F N 3.520 123.410 119.950 -0.100 0.000 2.375 144 F HA 0.375 4.851 4.527 -0.085 0.000 0.333 144 F C -1.363 174.396 175.800 -0.069 0.000 1.104 144 F CA -1.527 56.422 58.000 -0.085 0.000 1.149 144 F CB 0.553 39.506 39.000 -0.079 0.000 1.190 144 F HN 0.401 nan 8.300 nan 0.000 0.533 145 P HA 0.098 nan 4.420 nan 0.000 0.281 145 P C 0.242 177.569 177.300 0.045 0.000 1.281 145 P CA -0.601 62.533 63.100 0.056 0.000 0.811 145 P CB 1.194 32.910 31.700 0.026 0.000 1.154 146 K N 1.035 121.446 120.400 0.019 0.000 2.089 146 K HA -0.186 4.084 4.320 -0.084 0.000 0.210 146 K C 0.736 177.333 176.600 -0.006 0.000 1.048 146 K CA 1.876 58.168 56.287 0.008 0.000 0.926 146 K CB -0.391 32.109 32.500 0.001 0.000 0.714 146 K HN 0.448 nan 8.250 nan 0.000 0.448 147 N N 1.148 119.840 118.700 -0.013 0.000 2.376 147 N HA 0.009 4.699 4.740 -0.084 0.000 0.249 147 N C -1.007 174.474 175.510 -0.048 0.000 1.140 147 N CA -0.344 52.690 53.050 -0.027 0.000 0.870 147 N CB 0.437 38.911 38.487 -0.022 0.000 1.124 147 N HN 0.145 nan 8.380 nan 0.000 0.505 148 D N 0.851 121.210 120.400 -0.067 0.000 2.249 148 D HA 0.123 4.713 4.640 -0.084 0.000 0.246 148 D C -1.673 174.504 176.300 -0.204 0.000 1.114 148 D CA -2.105 51.813 54.000 -0.136 0.000 0.854 148 D CB 1.899 42.601 40.800 -0.163 0.000 1.132 148 D HN 0.011 nan 8.370 nan 0.000 0.461 149 P HA -0.093 nan 4.420 nan 0.000 0.218 149 P C 0.932 178.067 177.300 -0.275 0.000 1.148 149 P CA 1.085 64.074 63.100 -0.185 0.000 0.822 149 P CB 0.363 31.980 31.700 -0.138 0.000 0.784 150 K N -1.219 118.904 120.400 -0.462 0.000 2.362 150 K HA -0.085 4.184 4.320 -0.084 0.000 0.200 150 K C 1.745 177.940 176.600 -0.675 0.000 1.046 150 K CA 0.498 56.396 56.287 -0.647 0.000 0.952 150 K CB -0.546 31.340 32.500 -1.023 0.000 0.753 150 K HN 0.074 nan 8.250 nan 0.000 0.466 151 L N 1.788 122.671 121.223 -0.566 0.000 2.017 151 L HA -0.180 4.110 4.340 -0.084 0.000 0.208 151 L C 1.682 178.481 176.870 -0.118 0.000 1.073 151 L CA 1.855 56.554 54.840 -0.234 0.000 0.745 151 L CB -0.240 41.748 42.059 -0.119 0.000 0.894 151 L HN -0.006 nan 8.230 nan 0.000 0.432 152 K N -1.545 118.776 120.400 -0.131 0.000 2.148 152 K HA -0.078 4.191 4.320 -0.084 0.000 0.204 152 K C 1.482 178.043 176.600 -0.065 0.000 1.050 152 K CA 1.672 57.912 56.287 -0.078 0.000 0.942 152 K CB -0.139 32.316 32.500 -0.075 0.000 0.724 152 K HN 0.560 nan 8.250 nan 0.000 0.446 153 T N -3.527 110.972 114.554 -0.091 0.000 3.043 153 T HA 0.172 4.472 4.350 -0.084 0.000 0.272 153 T C 1.156 175.831 174.700 -0.043 0.000 0.990 153 T CA -0.352 61.713 62.100 -0.058 0.000 0.897 153 T CB 0.519 69.353 68.868 -0.058 0.000 1.111 153 T HN -0.013 nan 8.240 nan 0.000 0.529 154 Q N 0.271 120.041 119.800 -0.050 0.000 2.113 154 Q HA 0.480 4.770 4.340 -0.084 0.000 0.225 154 Q C 0.797 176.861 176.000 0.106 0.000 0.786 154 Q CA -0.032 55.780 55.803 0.014 0.000 0.989 154 Q CB 1.628 30.366 28.738 -0.000 0.000 1.174 154 Q HN 0.687 nan 8.270 nan 0.000 0.470 155 G N 1.256 110.118 108.800 0.103 0.000 2.472 155 G HA2 -0.210 3.699 3.960 -0.084 0.000 0.205 155 G HA3 -0.210 3.699 3.960 -0.084 0.000 0.205 155 G C -0.037 175.005 174.900 0.235 0.000 1.270 155 G CA -0.357 44.815 45.100 0.120 0.000 0.974 155 G HN -0.003 nan 8.290 nan 0.000 0.542 156 K N -0.483 119.995 120.400 0.129 0.000 2.323 156 K HA 0.278 4.548 4.320 -0.084 0.000 0.197 156 K C 1.238 177.707 176.600 -0.219 0.000 1.043 156 K CA 1.523 57.868 56.287 0.096 0.000 0.997 156 K CB -0.123 32.380 32.500 0.004 0.000 0.807 156 K HN 1.257 nan 8.250 nan 0.000 0.497 157 c N -1.886 116.430 118.600 -0.473 0.000 3.335 157 c HA 0.714 5.234 4.570 -0.084 0.000 0.356 157 c C -0.925 172.642 174.090 -0.872 0.000 1.570 157 c CA -1.240 54.507 56.329 -0.969 0.000 1.271 157 c CB 1.131 43.334 42.510 -0.511 0.000 1.873 157 c HN 0.101 nan 8.230 nan 0.000 0.439 158 M N 3.017 122.169 119.600 -0.747 0.000 2.190 158 M HA 0.468 4.898 4.480 -0.084 0.000 0.312 158 M C -2.475 173.666 176.300 -0.265 0.000 0.990 158 M CA -1.557 53.468 55.300 -0.458 0.000 0.927 158 M CB 2.496 34.883 32.600 -0.355 0.000 1.571 158 M HN 0.624 nan 8.290 nan 0.000 0.427 159 P HA 0.178 nan 4.420 nan 0.000 0.269 159 P C -1.328 175.850 177.300 -0.204 0.000 1.215 159 P CA 0.158 63.117 63.100 -0.234 0.000 0.780 159 P CB 0.761 32.369 31.700 -0.153 0.000 0.898 160 F N 1.932 121.447 119.950 -0.725 0.000 2.639 160 F HA 0.499 4.975 4.527 -0.084 0.000 0.320 160 F C -1.964 173.428 175.800 -0.680 0.000 1.128 160 F CA -0.739 56.967 58.000 -0.490 0.000 1.037 160 F CB 1.143 39.972 39.000 -0.285 0.000 1.288 160 F HN 0.084 nan 8.300 nan 0.000 0.463 161 F N 4.734 124.500 119.950 -0.308 0.000 2.529 161 F HA 0.594 5.070 4.527 -0.085 0.000 0.320 161 F C 0.175 175.851 175.800 -0.206 0.000 1.118 161 F CA -0.960 56.991 58.000 -0.082 0.000 0.915 161 F CB 1.733 40.693 39.000 -0.068 0.000 1.161 161 F HN 0.268 nan 8.300 nan 0.000 0.445 162 R N 1.493 122.147 120.500 0.257 0.000 2.698 162 R HA 0.399 4.688 4.340 -0.084 0.000 0.266 162 R C 0.123 176.504 176.300 0.135 0.000 1.026 162 R CA -0.216 56.041 56.100 0.261 0.000 1.102 162 R CB 0.374 30.834 30.300 0.267 0.000 0.978 162 R HN 0.769 nan 8.270 nan 0.000 0.436 163 A N 1.900 124.801 122.820 0.135 0.000 2.445 163 A HA 0.331 4.601 4.320 -0.084 0.000 0.242 163 A C 0.692 178.322 177.584 0.077 0.000 1.075 163 A CA 0.064 52.132 52.037 0.052 0.000 0.777 163 A CB 0.285 19.329 19.000 0.074 0.000 1.013 163 A HN 0.790 nan 8.150 nan 0.000 0.493 164 G N 0.008 108.790 108.800 -0.030 0.000 2.474 164 G HA2 0.425 4.334 3.960 -0.084 0.000 0.233 164 G HA3 0.425 4.334 3.960 -0.084 0.000 0.233 164 G C -0.308 174.621 174.900 0.047 0.000 1.278 164 G CA 0.408 45.467 45.100 -0.068 0.000 0.861 164 G HN 1.263 nan 8.290 nan 0.000 0.567 165 F N 0.111 119.979 119.950 -0.136 0.000 2.613 165 F HA 0.588 5.064 4.527 -0.085 0.000 0.310 165 F C 0.708 176.431 175.800 -0.129 0.000 1.085 165 F CA -1.021 56.903 58.000 -0.127 0.000 0.945 165 F CB 0.529 39.459 39.000 -0.117 0.000 1.298 165 F HN 0.523 nan 8.300 nan 0.000 0.455 166 V N -0.529 119.383 119.914 -0.004 0.000 2.262 166 V HA -0.288 3.782 4.120 -0.084 0.000 0.232 166 V C 1.865 177.819 176.094 -0.232 0.000 1.009 166 V CA 1.710 63.941 62.300 -0.115 0.000 0.995 166 V CB -1.655 30.139 31.823 -0.047 0.000 0.646 166 V HN 1.087 nan 8.190 nan 0.000 0.472 167 c N 1.640 120.101 118.600 -0.232 0.000 2.386 167 c HA 0.019 4.538 4.570 -0.084 0.000 0.279 167 c C 0.254 174.086 174.090 -0.429 0.000 1.208 167 c CA 1.443 57.554 56.329 -0.363 0.000 1.747 167 c CB -2.808 39.374 42.510 -0.547 0.000 2.046 167 c HN 0.749 nan 8.230 nan 0.000 0.453 168 P HA 0.332 nan 4.420 nan 0.000 0.338 168 P C 0.047 177.014 177.300 -0.554 0.000 1.308 168 P CA 0.664 63.524 63.100 -0.400 0.000 0.753 168 P CB 0.680 32.245 31.700 -0.225 0.000 1.579 169 T N -2.756 111.510 114.554 -0.481 0.000 3.304 169 T HA 0.208 4.507 4.350 -0.084 0.000 0.269 169 T C -1.735 172.794 174.700 -0.286 0.000 0.895 169 T CA 0.421 62.166 62.100 -0.592 0.000 0.948 169 T CB -0.869 67.774 68.868 -0.376 0.000 1.242 169 T HN 0.312 nan 8.240 nan 0.000 0.522 170 P HA 0.316 nan 4.420 nan 0.000 0.204 170 P C -2.361 175.061 177.300 0.203 0.000 1.144 170 P CA 0.463 63.615 63.100 0.086 0.000 0.901 170 P CB -0.721 31.006 31.700 0.044 0.000 0.746 171 P HA 0.437 nan 4.420 nan 0.000 0.298 171 P C -1.575 175.915 177.300 0.316 0.000 1.334 171 P CA -0.580 62.629 63.100 0.182 0.000 0.942 171 P CB 1.656 33.420 31.700 0.105 0.000 1.162 172 Y N 0.244 120.575 120.300 0.051 0.000 2.452 172 Y HA 0.221 4.721 4.550 -0.084 0.000 0.323 172 Y C -1.594 174.277 175.900 -0.050 0.000 1.244 172 Y CA -0.329 57.787 58.100 0.026 0.000 1.158 172 Y CB 1.733 40.252 38.460 0.099 0.000 1.332 172 Y HN 0.531 nan 8.280 nan 0.000 0.456 173 Q N 2.842 122.453 119.800 -0.315 0.000 2.759 173 Q HA 0.684 4.973 4.340 -0.084 0.000 0.225 173 Q C -1.685 174.161 176.000 -0.257 0.000 0.823 173 Q CA -0.496 55.163 55.803 -0.241 0.000 0.828 173 Q CB 1.599 30.230 28.738 -0.178 0.000 1.425 173 Q HN 0.467 nan 8.270 nan 0.000 0.449 174 S N 0.933 116.504 115.700 -0.214 0.000 2.597 174 S HA 0.202 4.621 4.470 -0.084 0.000 0.275 174 S C -0.601 173.964 174.600 -0.059 0.000 1.040 174 S CA -0.014 58.100 58.200 -0.144 0.000 1.187 174 S CB 0.673 63.764 63.200 -0.181 0.000 0.988 174 S HN 0.523 nan 8.310 nan 0.000 0.490 175 L N 1.711 122.915 121.223 -0.032 0.000 2.309 175 L HA 0.907 5.196 4.340 -0.084 0.000 0.261 175 L C -0.582 176.287 176.870 -0.003 0.000 1.021 175 L CA -0.696 54.157 54.840 0.022 0.000 0.823 175 L CB 1.281 43.379 42.059 0.065 0.000 1.366 175 L HN 0.143 nan 8.230 nan 0.000 0.423 176 A N 2.668 125.500 122.820 0.021 0.000 2.511 176 A HA 0.259 4.528 4.320 -0.084 0.000 0.242 176 A C 0.183 177.758 177.584 -0.015 0.000 1.069 176 A CA -0.094 51.950 52.037 0.011 0.000 0.763 176 A CB -0.185 18.888 19.000 0.121 0.000 1.001 176 A HN 0.756 nan 8.150 nan 0.000 0.498 177 R N 2.116 122.512 120.500 -0.174 0.000 2.484 177 R HA 0.071 4.360 4.340 -0.084 0.000 0.293 177 R C -0.919 175.380 176.300 -0.001 0.000 1.023 177 R CA 0.386 56.359 56.100 -0.212 0.000 1.037 177 R CB 0.254 30.196 30.300 -0.598 0.000 0.951 177 R HN 0.670 nan 8.270 nan 0.000 0.418 178 E N 4.306 124.525 120.200 0.031 0.000 2.155 178 E HA 0.120 4.419 4.350 -0.084 0.000 0.264 178 E C -0.777 175.856 176.600 0.055 0.000 0.886 178 E CA -0.950 55.483 56.400 0.056 0.000 0.752 178 E CB 1.827 31.556 29.700 0.049 0.000 1.133 178 E HN 0.529 nan 8.360 nan 0.000 0.414 179 Q N 1.213 121.007 119.800 -0.010 0.000 2.392 179 Q HA 0.286 4.576 4.340 -0.084 0.000 0.262 179 Q C 0.140 176.120 176.000 -0.033 0.000 1.003 179 Q CA 0.178 55.943 55.803 -0.063 0.000 0.888 179 Q CB 0.710 29.257 28.738 -0.319 0.000 1.260 179 Q HN 0.463 nan 8.270 nan 0.000 0.435 180 I N 1.770 122.309 120.570 -0.051 0.000 2.472 180 I HA 0.143 4.263 4.170 -0.084 0.000 0.290 180 I C 0.151 176.227 176.117 -0.068 0.000 1.016 180 I CA -0.590 60.672 61.300 -0.063 0.000 1.348 180 I CB 0.840 38.779 38.000 -0.101 0.000 1.417 180 I HN 0.486 nan 8.210 nan 0.000 0.521 181 N N 4.552 123.229 118.700 -0.039 0.000 2.437 181 N HA 0.356 5.045 4.740 -0.084 0.000 0.259 181 N C 0.200 175.705 175.510 -0.008 0.000 0.983 181 N CA -0.371 52.670 53.050 -0.016 0.000 0.937 181 N CB 1.778 40.267 38.487 0.004 0.000 1.122 181 N HN 0.704 nan 8.380 nan 0.000 0.499 182 A N 2.663 125.480 122.820 -0.006 0.000 2.238 182 A HA 0.187 4.457 4.320 -0.084 0.000 0.208 182 A C 0.621 178.269 177.584 0.107 0.000 1.177 182 A CA 0.426 52.478 52.037 0.026 0.000 0.804 182 A CB -0.344 18.645 19.000 -0.019 0.000 0.823 182 A HN 0.518 nan 8.150 nan 0.000 0.482 183 V N -3.457 116.531 119.914 0.124 0.000 3.158 183 V HA 0.764 4.833 4.120 -0.084 0.000 0.315 183 V C 0.104 176.262 176.094 0.107 0.000 1.148 183 V CA -0.285 62.093 62.300 0.130 0.000 1.042 183 V CB 0.961 32.872 31.823 0.146 0.000 1.101 183 V HN 0.338 nan 8.190 nan 0.000 0.448 184 T N -0.842 113.792 114.554 0.134 0.000 2.884 184 T HA 0.275 4.574 4.350 -0.084 0.000 0.298 184 T C 0.958 175.696 174.700 0.063 0.000 0.998 184 T CA 0.383 62.568 62.100 0.141 0.000 1.124 184 T CB 0.981 70.019 68.868 0.282 0.000 0.931 184 T HN 0.835 nan 8.240 nan 0.000 0.531 185 S N 1.640 117.261 115.700 -0.132 0.000 2.474 185 S HA 0.109 4.528 4.470 -0.084 0.000 0.235 185 S C 0.263 174.741 174.600 -0.203 0.000 0.997 185 S CA 0.285 58.346 58.200 -0.231 0.000 0.949 185 S CB -0.568 62.401 63.200 -0.386 0.000 0.766 185 S HN 0.707 nan 8.310 nan 0.000 0.517 186 F N 1.116 121.164 119.950 0.164 0.000 2.429 186 F HA 0.334 4.809 4.527 -0.086 0.000 0.348 186 F C 0.318 176.261 175.800 0.239 0.000 1.109 186 F CA -1.136 56.993 58.000 0.214 0.000 1.232 186 F CB 0.323 39.454 39.000 0.217 0.000 1.157 186 F HN -0.064 nan 8.300 nan 0.000 0.564 187 L N 4.201 125.719 121.223 0.493 0.000 2.395 187 L HA 0.184 4.473 4.340 -0.084 0.000 0.268 187 L C 0.118 177.217 176.870 0.383 0.000 1.223 187 L CA 0.048 55.153 54.840 0.441 0.000 1.093 187 L CB -1.133 41.269 42.059 0.571 0.000 1.349 187 L HN 0.630 nan 8.230 nan 0.000 0.427 188 D N 1.820 122.416 120.400 0.326 0.000 2.535 188 D HA 0.283 4.872 4.640 -0.084 0.000 0.229 188 D C 0.892 177.342 176.300 0.249 0.000 1.238 188 D CA 0.241 54.402 54.000 0.268 0.000 0.824 188 D CB 0.227 41.179 40.800 0.252 0.000 1.045 188 D HN 0.404 nan 8.370 nan 0.000 0.500 189 A N 0.553 123.517 122.820 0.239 0.000 2.887 189 A HA -0.267 4.002 4.320 -0.084 0.000 0.257 189 A C 1.832 179.554 177.584 0.230 0.000 1.372 189 A CA 1.201 53.371 52.037 0.221 0.000 0.879 189 A CB -2.636 16.560 19.000 0.326 0.000 1.082 189 A HN 0.733 nan 8.150 nan 0.000 0.703 190 S N -0.374 115.455 115.700 0.215 0.000 2.465 190 S HA -0.138 4.281 4.470 -0.084 0.000 0.241 190 S C 1.707 176.389 174.600 0.137 0.000 1.000 190 S CA 1.474 59.791 58.200 0.195 0.000 0.964 190 S CB -0.933 62.377 63.200 0.182 0.000 0.763 190 S HN 1.793 nan 8.310 nan 0.000 0.512 191 L N -0.930 120.354 121.223 0.102 0.000 2.313 191 L HA 0.210 4.500 4.340 -0.084 0.000 0.214 191 L C 1.924 178.856 176.870 0.102 0.000 1.119 191 L CA 0.605 55.513 54.840 0.114 0.000 0.809 191 L CB -0.368 41.744 42.059 0.089 0.000 0.933 191 L HN 0.158 nan 8.230 nan 0.000 0.449 192 V N -0.770 119.093 119.914 -0.084 0.000 2.685 192 V HA -0.070 4.000 4.120 -0.084 0.000 0.244 192 V C 1.736 177.570 176.094 -0.433 0.000 1.054 192 V CA 1.247 63.349 62.300 -0.330 0.000 1.076 192 V CB -0.505 30.886 31.823 -0.720 0.000 0.725 192 V HN 0.428 nan 8.190 nan 0.000 0.467 193 Y N 0.488 120.802 120.300 0.024 0.000 2.458 193 Y HA 0.575 5.068 4.550 -0.096 0.000 0.254 193 Y C 1.350 177.287 175.900 0.061 0.000 1.120 193 Y CA 0.433 58.552 58.100 0.032 0.000 1.282 193 Y CB 0.446 38.915 38.460 0.015 0.000 1.109 193 Y HN 0.319 nan 8.280 nan 0.000 0.526 194 G N -0.061 108.842 108.800 0.172 0.000 2.663 194 G HA2 -0.142 3.768 3.960 -0.084 0.000 0.686 194 G HA3 -0.142 3.768 3.960 -0.084 0.000 0.686 194 G C 0.135 175.123 174.900 0.146 0.000 1.288 194 G CA -0.205 44.977 45.100 0.137 0.000 0.836 194 G HN 0.016 nan 8.290 nan 0.000 0.584 195 S N 0.097 115.871 115.700 0.123 0.000 2.701 195 S HA 0.320 4.740 4.470 -0.084 0.000 0.242 195 S C 0.304 174.961 174.600 0.094 0.000 1.025 195 S CA 0.294 58.565 58.200 0.119 0.000 1.016 195 S CB 0.490 63.763 63.200 0.122 0.000 0.977 195 S HN 0.570 nan 8.310 nan 0.000 0.546 196 E N 1.767 122.017 120.200 0.084 0.000 2.248 196 E HA 0.370 4.669 4.350 -0.084 0.000 0.267 196 E C -2.830 173.802 176.600 0.054 0.000 0.877 196 E CA -2.324 54.113 56.400 0.062 0.000 0.759 196 E CB 1.901 31.632 29.700 0.052 0.000 1.182 196 E HN 0.009 nan 8.360 nan 0.000 0.418 200 A N -0.156 122.698 122.820 0.057 0.000 1.892 200 A HA -0.230 4.039 4.320 -0.084 0.000 0.218 200 A C 2.306 179.896 177.584 0.010 0.000 1.188 200 A CA 2.821 54.907 52.037 0.081 0.000 0.631 200 A CB -1.094 17.961 19.000 0.092 0.000 0.822 200 A HN 0.553 nan 8.150 nan 0.000 0.447 201 S N -1.064 114.619 115.700 -0.029 0.000 2.368 201 S HA -0.190 4.230 4.470 -0.084 0.000 0.224 201 S C 2.211 176.780 174.600 -0.052 0.000 1.029 201 S CA 1.512 59.668 58.200 -0.073 0.000 0.988 201 S CB -0.365 62.801 63.200 -0.057 0.000 0.838 201 S HN 0.616 nan 8.310 nan 0.000 0.462 202 R N 0.273 120.761 120.500 -0.020 0.000 2.105 202 R HA 0.010 4.299 4.340 -0.084 0.000 0.239 202 R C 2.105 178.398 176.300 -0.011 0.000 1.135 202 R CA 1.428 57.520 56.100 -0.012 0.000 0.967 202 R CB -0.335 29.967 30.300 0.002 0.000 0.861 202 R HN 0.438 nan 8.270 nan 0.000 0.442 203 L N 0.373 121.594 121.223 -0.003 0.000 2.291 203 L HA -0.029 4.260 4.340 -0.084 0.000 0.214 203 L C 0.872 177.739 176.870 -0.004 0.000 1.120 203 L CA 0.647 55.487 54.840 0.001 0.000 0.799 203 L CB -0.157 41.916 42.059 0.023 0.000 0.925 203 L HN 0.096 nan 8.230 nan 0.000 0.446 204 R N 0.777 121.256 120.500 -0.035 0.000 2.490 204 R HA 0.097 4.387 4.340 -0.084 0.000 0.278 204 R C 0.184 176.464 176.300 -0.034 0.000 1.069 204 R CA -0.502 55.562 56.100 -0.061 0.000 1.080 204 R CB 0.379 30.546 30.300 -0.220 0.000 1.030 204 R HN -0.090 nan 8.270 nan 0.000 0.491 205 N N 3.428 122.127 118.700 -0.001 0.000 2.555 205 N HA 0.043 4.733 4.740 -0.084 0.000 0.244 205 N C -0.199 175.308 175.510 -0.004 0.000 1.114 205 N CA 0.053 53.109 53.050 0.011 0.000 0.963 205 N CB 0.421 38.933 38.487 0.042 0.000 1.276 205 N HN 0.544 nan 8.380 nan 0.000 0.510 206 L N 1.838 123.049 121.223 -0.021 0.000 2.728 206 L HA 0.161 4.451 4.340 -0.084 0.000 0.235 206 L C 1.181 178.046 176.870 -0.009 0.000 1.197 206 L CA -0.033 54.790 54.840 -0.029 0.000 0.992 206 L CB 0.067 42.097 42.059 -0.049 0.000 1.263 206 L HN 0.363 nan 8.230 nan 0.000 0.484 207 S N -0.984 114.719 115.700 0.005 0.000 2.501 207 S HA 0.070 4.489 4.470 -0.084 0.000 0.220 207 S C 0.759 175.369 174.600 0.017 0.000 0.997 207 S CA 0.075 58.282 58.200 0.012 0.000 0.919 207 S CB 0.204 63.416 63.200 0.020 0.000 0.778 207 S HN 0.521 nan 8.310 nan 0.000 0.523 208 S N 0.910 116.622 115.700 0.020 0.000 2.564 208 S HA 0.475 4.894 4.470 -0.084 0.000 0.274 208 S C -3.080 171.537 174.600 0.027 0.000 1.124 208 S CA -1.361 56.854 58.200 0.025 0.000 0.869 208 S CB 1.665 64.884 63.200 0.032 0.000 1.105 208 S HN -0.039 nan 8.310 nan 0.000 0.472 209 P HA 0.240 nan 4.420 nan 0.000 0.258 209 P C 0.096 177.426 177.300 0.050 0.000 1.559 209 P CA -0.026 63.097 63.100 0.037 0.000 0.855 209 P CB -0.440 31.284 31.700 0.039 0.000 1.594 210 L N -1.528 119.727 121.223 0.052 0.000 2.640 210 L HA 0.320 4.609 4.340 -0.084 0.000 0.230 210 L C 1.498 178.420 176.870 0.086 0.000 1.123 210 L CA 0.310 55.186 54.840 0.060 0.000 0.900 210 L CB -0.613 41.476 42.059 0.050 0.000 1.146 210 L HN 0.090 nan 8.230 nan 0.000 0.484 211 G N 1.425 110.285 108.800 0.101 0.000 2.341 211 G HA2 -0.288 3.622 3.960 -0.084 0.000 0.292 211 G HA3 -0.288 3.622 3.960 -0.084 0.000 0.292 211 G C 0.113 175.185 174.900 0.286 0.000 1.021 211 G CA 0.273 45.478 45.100 0.175 0.000 0.905 211 G HN 0.264 nan 8.290 nan 0.000 0.508 212 L N -0.524 120.827 121.223 0.213 0.000 2.416 212 L HA 0.614 4.903 4.340 -0.084 0.000 0.262 212 L C 1.024 178.049 176.870 0.258 0.000 1.093 212 L CA -1.155 53.842 54.840 0.262 0.000 0.801 212 L CB 0.891 43.036 42.059 0.143 0.000 1.191 212 L HN 0.051 nan 8.230 nan 0.000 0.459 213 M N 1.467 121.225 119.600 0.264 0.000 2.233 213 M HA 0.318 4.748 4.480 -0.084 0.000 0.355 213 M C 0.143 176.475 176.300 0.055 0.000 1.191 213 M CA -0.595 54.772 55.300 0.111 0.000 1.101 213 M CB 1.288 33.895 32.600 0.012 0.000 1.592 213 M HN 0.663 nan 8.290 nan 0.000 0.461 214 A N 3.468 126.297 122.820 0.015 0.000 2.531 214 A HA 0.410 4.680 4.320 -0.084 0.000 0.236 214 A C 0.150 177.702 177.584 -0.052 0.000 1.062 214 A CA -0.333 51.699 52.037 -0.009 0.000 0.760 214 A CB -0.068 18.923 19.000 -0.015 0.000 0.995 214 A HN 0.818 nan 8.150 nan 0.000 0.501 215 V N 1.030 120.896 119.914 -0.079 0.000 3.113 215 V HA 0.541 4.610 4.120 -0.084 0.000 0.316 215 V C 0.257 176.201 176.094 -0.249 0.000 1.125 215 V CA -1.395 60.795 62.300 -0.184 0.000 1.026 215 V CB 1.730 33.416 31.823 -0.229 0.000 1.080 215 V HN 0.868 nan 8.190 nan 0.000 0.444 216 N N 1.913 120.380 118.700 -0.389 0.000 2.468 216 N HA 0.094 4.784 4.740 -0.084 0.000 0.265 216 N C 0.390 175.642 175.510 -0.430 0.000 1.199 216 N CA 0.077 52.877 53.050 -0.417 0.000 0.928 216 N CB 1.328 39.519 38.487 -0.494 0.000 1.059 216 N HN 0.747 nan 8.380 nan 0.000 0.467 217 Q N 2.263 121.961 119.800 -0.169 0.000 2.319 217 Q HA 0.089 4.378 4.340 -0.084 0.000 0.202 217 Q C 0.351 176.406 176.000 0.092 0.000 0.896 217 Q CA 0.487 56.300 55.803 0.015 0.000 0.942 217 Q CB 0.509 29.294 28.738 0.078 0.000 1.083 217 Q HN 0.706 nan 8.270 nan 0.000 0.510 218 E N -0.298 119.919 120.200 0.028 0.000 2.473 218 E HA 0.318 4.617 4.350 -0.084 0.000 0.204 218 E C -0.234 176.460 176.600 0.156 0.000 0.994 218 E CA 0.009 56.495 56.400 0.143 0.000 0.945 218 E CB 1.044 30.889 29.700 0.241 0.000 0.990 218 E HN 0.106 nan 8.360 nan 0.000 0.493 219 A N 0.441 123.270 122.820 0.015 0.000 2.520 219 A HA 0.581 4.851 4.320 -0.084 0.000 0.298 219 A C -2.135 175.402 177.584 -0.079 0.000 1.051 219 A CA -0.643 51.477 52.037 0.139 0.000 0.690 219 A CB 0.800 19.942 19.000 0.238 0.000 1.281 219 A HN 0.132 nan 8.150 nan 0.000 0.402 220 W N 0.320 121.682 121.300 0.103 0.000 2.844 220 W HA 0.538 5.145 4.660 -0.088 0.000 0.340 220 W C -0.585 175.716 176.519 -0.363 0.000 1.093 220 W CA -0.065 57.171 57.345 -0.182 0.000 1.212 220 W CB 1.937 31.323 29.460 -0.124 0.000 1.422 220 W HN 0.658 nan 8.180 nan 0.000 0.515 221 D N 1.268 121.358 120.400 -0.516 0.000 2.557 221 D HA 0.148 4.738 4.640 -0.084 0.000 0.236 221 D C -0.431 175.903 176.300 0.057 0.000 1.154 221 D CA -0.232 53.547 54.000 -0.368 0.000 0.985 221 D CB -0.706 39.667 40.800 -0.712 0.000 1.010 221 D HN 0.494 nan 8.370 nan 0.000 0.516 222 H N 1.084 120.188 119.070 0.056 0.000 2.591 222 H HA -0.166 4.339 4.556 -0.085 0.000 0.325 222 H C 1.542 176.945 175.328 0.125 0.000 1.096 222 H CA 1.129 57.241 56.048 0.106 0.000 1.108 222 H CB -1.088 28.764 29.762 0.150 0.000 1.590 222 H HN 0.633 nan 8.280 nan 0.000 0.399 223 G N -1.397 107.491 108.800 0.147 0.000 2.383 223 G HA2 -0.334 3.576 3.960 -0.084 0.000 0.229 223 G HA3 -0.334 3.576 3.960 -0.084 0.000 0.229 223 G C 0.449 175.468 174.900 0.199 0.000 1.089 223 G CA 0.078 45.222 45.100 0.074 0.000 0.640 223 G HN 0.543 nan 8.290 nan 0.000 0.510 224 L N 1.592 122.892 121.223 0.129 0.000 2.418 224 L HA 0.663 4.953 4.340 -0.084 0.000 0.265 224 L C 1.280 178.133 176.870 -0.028 0.000 1.143 224 L CA -0.335 54.520 54.840 0.025 0.000 0.809 224 L CB 1.007 42.945 42.059 -0.202 0.000 1.124 224 L HN 0.472 nan 8.230 nan 0.000 0.456 225 A N 2.182 124.937 122.820 -0.109 0.000 2.366 225 A HA 0.414 4.684 4.320 -0.084 0.000 0.249 225 A C -0.899 176.401 177.584 -0.474 0.000 1.084 225 A CA 0.102 51.900 52.037 -0.398 0.000 0.794 225 A CB 0.191 19.043 19.000 -0.246 0.000 1.034 225 A HN 0.628 nan 8.150 nan 0.000 0.491 226 Y N -0.545 119.468 120.300 -0.478 0.000 2.562 226 Y HA 0.453 4.952 4.550 -0.085 0.000 0.343 226 Y C 0.092 175.696 175.900 -0.493 0.000 1.025 226 Y CA -1.035 56.786 58.100 -0.466 0.000 1.082 226 Y CB 1.787 39.993 38.460 -0.424 0.000 1.264 226 Y HN 0.528 nan 8.280 nan 0.000 0.478 227 L N 4.010 124.977 121.223 -0.427 0.000 2.426 227 L HA 0.191 4.480 4.340 -0.084 0.000 0.271 227 L C -2.244 174.498 176.870 -0.213 0.000 1.169 227 L CA -1.674 52.948 54.840 -0.364 0.000 0.836 227 L CB 0.102 41.859 42.059 -0.505 0.000 1.112 227 L HN 0.285 nan 8.230 nan 0.000 0.465 228 P HA -0.007 nan 4.420 nan 0.000 0.271 228 P C -0.815 176.473 177.300 -0.020 0.000 1.238 228 P CA -0.015 63.001 63.100 -0.139 0.000 0.794 228 P CB 0.378 32.039 31.700 -0.065 0.000 0.959 229 F N 0.336 120.321 119.950 0.059 0.000 2.371 229 F HA 0.277 4.755 4.527 -0.082 0.000 0.329 229 F C 1.289 177.077 175.800 -0.021 0.000 1.107 229 F CA -0.254 57.749 58.000 0.005 0.000 1.137 229 F CB 0.068 39.039 39.000 -0.048 0.000 1.214 229 F HN 0.167 nan 8.300 nan 0.000 0.536 230 N N 2.190 120.995 118.700 0.176 0.000 2.589 230 N HA 0.085 4.774 4.740 -0.084 0.000 0.232 230 N C -1.233 174.287 175.510 0.015 0.000 1.015 230 N CA -0.264 52.818 53.050 0.055 0.000 0.931 230 N CB -0.479 38.001 38.487 -0.012 0.000 1.150 230 N HN 0.550 nan 8.380 nan 0.000 0.512 231 N N 2.398 121.114 118.700 0.027 0.000 2.549 231 N HA 0.041 4.730 4.740 -0.084 0.000 0.267 231 N C -0.708 174.790 175.510 -0.020 0.000 1.182 231 N CA -0.092 52.953 53.050 -0.009 0.000 1.019 231 N CB 0.348 38.840 38.487 0.009 0.000 1.380 231 N HN 0.456 nan 8.380 nan 0.000 0.505 232 K N 1.531 121.908 120.400 -0.038 0.000 2.543 232 K HA 0.369 4.638 4.320 -0.084 0.000 0.255 232 K C -1.682 174.886 176.600 -0.053 0.000 0.934 232 K CA -0.807 55.457 56.287 -0.038 0.000 0.810 232 K CB 1.121 33.602 32.500 -0.032 0.000 1.315 232 K HN -0.105 nan 8.250 nan 0.000 0.433 233 K N 3.365 123.737 120.400 -0.047 0.000 2.318 233 K HA 0.556 4.825 4.320 -0.084 0.000 0.249 233 K C -2.447 174.121 176.600 -0.054 0.000 0.942 233 K CA -1.932 54.324 56.287 -0.051 0.000 0.808 233 K CB 1.371 33.846 32.500 -0.043 0.000 1.189 233 K HN 0.718 nan 8.250 nan 0.000 0.428 234 P HA 0.174 nan 4.420 nan 0.000 0.285 234 P C -0.586 176.669 177.300 -0.075 0.000 1.259 234 P CA -0.349 62.719 63.100 -0.054 0.000 0.794 234 P CB 1.193 32.862 31.700 -0.052 0.000 0.940 235 S N 3.390 119.054 115.700 -0.059 0.000 2.475 235 S HA 0.309 4.728 4.470 -0.084 0.000 0.281 235 S C -1.175 173.393 174.600 -0.054 0.000 1.198 235 S CA -1.733 56.416 58.200 -0.085 0.000 1.063 235 S CB 0.588 63.731 63.200 -0.094 0.000 0.972 235 S HN 0.353 nan 8.310 nan 0.000 0.486 236 P HA 0.046 nan 4.420 nan 0.000 0.225 236 P C 1.091 178.393 177.300 0.003 0.000 1.156 236 P CA 0.600 63.636 63.100 -0.107 0.000 0.787 236 P CB -0.110 31.309 31.700 -0.468 0.000 0.802 237 c N 0.270 118.872 118.600 0.004 0.000 2.446 237 c HA 0.021 4.540 4.570 -0.084 0.000 0.279 237 c C 2.621 176.735 174.090 0.040 0.000 1.366 237 c CA 0.590 56.956 56.329 0.060 0.000 1.763 237 c CB -1.364 41.146 42.510 -0.001 0.000 1.929 237 c HN 0.336 nan 8.230 nan 0.000 0.509 238 E N -0.108 120.091 120.200 -0.002 0.000 2.112 238 E HA -0.119 4.181 4.350 -0.084 0.000 0.190 238 E C 1.769 178.375 176.600 0.011 0.000 0.979 238 E CA 0.733 57.113 56.400 -0.034 0.000 0.814 238 E CB -0.257 29.402 29.700 -0.068 0.000 0.762 238 E HN 0.693 nan 8.360 nan 0.000 0.460 239 F N 2.036 121.951 119.950 -0.058 0.000 2.161 239 F HA -0.196 4.281 4.527 -0.085 0.000 0.300 239 F C 2.017 177.802 175.800 -0.026 0.000 1.089 239 F CA 1.350 59.338 58.000 -0.021 0.000 1.282 239 F CB 0.004 39.030 39.000 0.044 0.000 1.010 239 F HN 0.006 nan 8.300 nan 0.000 0.485 240 I N -1.861 118.770 120.570 0.103 0.000 3.111 240 I HA 0.042 4.162 4.170 -0.084 0.000 0.272 240 I C -0.078 176.041 176.117 0.004 0.000 1.268 240 I CA 0.762 62.098 61.300 0.060 0.000 1.467 240 I CB -0.659 37.385 38.000 0.074 0.000 1.087 240 I HN 0.111 nan 8.210 nan 0.000 0.467 241 N N 0.352 119.001 118.700 -0.085 0.000 2.699 241 N HA 0.102 4.792 4.740 -0.084 0.000 0.271 241 N C 0.502 175.855 175.510 -0.261 0.000 1.216 241 N CA 0.438 53.341 53.050 -0.245 0.000 0.844 241 N CB 1.106 39.282 38.487 -0.517 0.000 1.462 241 N HN 0.206 nan 8.380 nan 0.000 0.555 242 T N -1.338 113.068 114.554 -0.246 0.000 3.113 242 T HA 0.027 4.327 4.350 -0.084 0.000 0.256 242 T C 1.185 175.764 174.700 -0.203 0.000 1.131 242 T CA 1.030 63.004 62.100 -0.211 0.000 1.074 242 T CB 0.075 68.817 68.868 -0.210 0.000 0.944 242 T HN 0.274 nan 8.240 nan 0.000 0.516 243 T N 1.768 116.175 114.554 -0.246 0.000 2.866 243 T HA 0.335 4.635 4.350 -0.084 0.000 0.250 243 T C 2.509 177.057 174.700 -0.253 0.000 1.033 243 T CA 0.731 62.692 62.100 -0.231 0.000 1.145 243 T CB -0.687 68.034 68.868 -0.244 0.000 0.866 243 T HN 0.503 nan 8.240 nan 0.000 0.434 244 A N 1.094 123.691 122.820 -0.372 0.000 1.978 244 A HA -0.020 4.249 4.320 -0.084 0.000 0.220 244 A C 1.429 178.882 177.584 -0.218 0.000 1.170 244 A CA 1.658 53.488 52.037 -0.344 0.000 0.636 244 A CB -0.672 17.971 19.000 -0.594 0.000 0.810 244 A HN 0.540 nan 8.150 nan 0.000 0.448 245 R N -1.703 118.665 120.500 -0.220 0.000 3.333 245 R HA -0.145 4.145 4.340 -0.084 0.000 0.256 245 R C -1.304 174.868 176.300 -0.213 0.000 1.010 245 R CA 0.484 56.473 56.100 -0.185 0.000 0.680 245 R CB -2.031 28.172 30.300 -0.163 0.000 1.102 245 R HN 0.233 nan 8.270 nan 0.000 0.440 246 V N 2.088 121.891 119.914 -0.186 0.000 2.350 246 V HA 0.349 4.418 4.120 -0.084 0.000 0.276 246 V C -1.679 174.225 176.094 -0.317 0.000 1.028 246 V CA -1.713 60.431 62.300 -0.260 0.000 0.860 246 V CB 1.613 33.398 31.823 -0.064 0.000 0.990 246 V HN 0.213 nan 8.190 nan 0.000 0.453 247 P HA 0.163 nan 4.420 nan 0.000 0.272 247 P C -0.204 176.904 177.300 -0.319 0.000 1.254 247 P CA -0.379 62.467 63.100 -0.424 0.000 0.795 247 P CB 0.472 31.833 31.700 -0.566 0.000 1.022 248 c N -0.168 118.311 118.600 -0.201 0.000 2.500 248 c HA 0.392 4.912 4.570 -0.084 0.000 0.367 248 c C 0.694 174.700 174.090 -0.140 0.000 1.283 248 c CA -0.154 56.062 56.329 -0.189 0.000 2.456 248 c CB -0.846 41.611 42.510 -0.087 0.000 2.457 248 c HN 0.416 nan 8.230 nan 0.000 0.632 249 F N 0.629 120.597 119.950 0.029 0.000 2.368 249 F HA 0.486 4.965 4.527 -0.079 0.000 0.315 249 F C 0.251 175.997 175.800 -0.089 0.000 1.145 249 F CA -0.689 57.298 58.000 -0.022 0.000 1.095 249 F CB 0.484 39.422 39.000 -0.103 0.000 1.286 249 F HN 0.218 nan 8.300 nan 0.000 0.530 250 L N 1.983 123.286 121.223 0.133 0.000 2.294 250 L HA 0.726 5.016 4.340 -0.084 0.000 0.283 250 L C -0.536 176.302 176.870 -0.053 0.000 1.015 250 L CA -0.126 54.719 54.840 0.008 0.000 0.831 250 L CB 0.371 42.442 42.059 0.019 0.000 1.217 250 L HN 0.654 nan 8.230 nan 0.000 0.420 251 A N 2.984 125.734 122.820 -0.117 0.000 2.437 251 A HA 0.686 4.955 4.320 -0.084 0.000 0.292 251 A C 0.957 178.491 177.584 -0.083 0.000 1.173 251 A CA -0.113 51.827 52.037 -0.160 0.000 0.785 251 A CB 0.835 19.582 19.000 -0.423 0.000 1.351 251 A HN 0.795 nan 8.150 nan 0.000 0.431 252 G N -0.906 107.871 108.800 -0.038 0.000 2.470 252 G HA2 0.081 3.990 3.960 -0.084 0.000 0.220 252 G HA3 0.081 3.990 3.960 -0.084 0.000 0.220 252 G C 0.210 175.136 174.900 0.042 0.000 1.121 252 G CA 1.483 46.597 45.100 0.023 0.000 0.766 252 G HN 0.818 nan 8.290 nan 0.000 0.553 253 D N -2.451 117.954 120.400 0.007 0.000 2.362 253 D HA 0.397 4.986 4.640 -0.084 0.000 0.247 253 D C 0.725 176.977 176.300 -0.080 0.000 1.050 253 D CA -0.951 53.036 54.000 -0.021 0.000 0.839 253 D CB 1.231 42.033 40.800 0.004 0.000 1.283 253 D HN -0.124 nan 8.370 nan 0.000 0.477 254 F N 2.992 122.807 119.950 -0.226 0.000 2.087 254 F HA -0.156 4.320 4.527 -0.085 0.000 0.299 254 F C 1.787 177.468 175.800 -0.198 0.000 1.100 254 F CA 1.610 59.498 58.000 -0.186 0.000 1.226 254 F CB 0.169 39.076 39.000 -0.154 0.000 0.983 254 F HN 0.427 nan 8.300 nan 0.000 0.479 255 R N 0.181 120.569 120.500 -0.185 0.000 2.339 255 R HA 0.094 4.383 4.340 -0.084 0.000 0.199 255 R C 2.195 178.429 176.300 -0.111 0.000 1.018 255 R CA 0.418 56.416 56.100 -0.171 0.000 1.036 255 R CB -0.643 29.430 30.300 -0.378 0.000 0.899 255 R HN 0.349 nan 8.270 nan 0.000 0.473 256 A N 0.957 123.658 122.820 -0.198 0.000 1.971 256 A HA -0.232 4.038 4.320 -0.084 0.000 0.222 256 A C 1.919 179.463 177.584 -0.067 0.000 1.182 256 A CA 2.061 53.944 52.037 -0.257 0.000 0.649 256 A CB -0.352 18.224 19.000 -0.708 0.000 0.818 256 A HN 0.288 nan 8.150 nan 0.000 0.458 257 S N -0.568 115.110 115.700 -0.037 0.000 2.593 257 S HA 0.009 4.429 4.470 -0.084 0.000 0.217 257 S C 1.558 176.048 174.600 -0.184 0.000 0.966 257 S CA 0.413 58.627 58.200 0.022 0.000 0.914 257 S CB 0.062 63.322 63.200 0.100 0.000 0.776 257 S HN 0.682 nan 8.310 nan 0.000 0.523 258 E N 1.968 121.954 120.200 -0.357 0.000 2.130 258 E HA -0.215 4.085 4.350 -0.084 0.000 0.196 258 E C 0.370 176.662 176.600 -0.513 0.000 0.998 258 E CA 1.271 57.159 56.400 -0.853 0.000 0.806 258 E CB 0.138 29.562 29.700 -0.459 0.000 0.738 258 E HN 0.747 nan 8.360 nan 0.000 0.459 259 Q N -1.560 118.129 119.800 -0.184 0.000 2.391 259 Q HA 0.300 4.589 4.340 -0.084 0.000 0.279 259 Q C 0.507 176.481 176.000 -0.042 0.000 1.028 259 Q CA -0.399 55.377 55.803 -0.045 0.000 0.836 259 Q CB 0.519 29.303 28.738 0.077 0.000 1.414 259 Q HN -0.008 nan 8.270 nan 0.000 0.397 260 I N 1.006 121.542 120.570 -0.057 0.000 2.335 260 I HA -0.215 3.905 4.170 -0.084 0.000 0.251 260 I C 0.953 177.059 176.117 -0.019 0.000 1.129 260 I CA 1.348 62.619 61.300 -0.049 0.000 1.402 260 I CB 0.167 38.101 38.000 -0.111 0.000 1.069 260 I HN 0.805 nan 8.210 nan 0.000 0.424 261 L N -0.445 120.767 121.223 -0.017 0.000 2.179 261 L HA -0.161 4.129 4.340 -0.084 0.000 0.208 261 L C 2.364 179.246 176.870 0.020 0.000 1.096 261 L CA 0.414 55.255 54.840 0.003 0.000 0.779 261 L CB -0.469 41.594 42.059 0.007 0.000 0.922 261 L HN 0.306 nan 8.230 nan 0.000 0.443 262 L N 0.514 121.747 121.223 0.016 0.000 2.027 262 L HA -0.091 4.198 4.340 -0.084 0.000 0.206 262 L C 2.675 179.614 176.870 0.115 0.000 1.074 262 L CA 1.956 56.819 54.840 0.040 0.000 0.745 262 L CB -0.659 41.419 42.059 0.033 0.000 0.898 262 L HN 0.119 nan 8.230 nan 0.000 0.433 263 A N -1.321 121.552 122.820 0.089 0.000 1.908 263 A HA -0.235 4.034 4.320 -0.084 0.000 0.218 263 A C 2.255 179.846 177.584 0.013 0.000 1.181 263 A CA 2.441 54.529 52.037 0.085 0.000 0.627 263 A CB -1.308 17.791 19.000 0.166 0.000 0.818 263 A HN 0.548 nan 8.150 nan 0.000 0.445 264 T N 0.292 114.856 114.554 0.017 0.000 2.708 264 T HA -0.040 4.259 4.350 -0.084 0.000 0.266 264 T C 2.248 176.960 174.700 0.020 0.000 1.037 264 T CA 1.740 63.840 62.100 -0.000 0.000 1.146 264 T CB -0.520 68.355 68.868 0.011 0.000 0.865 264 T HN 0.624 nan 8.240 nan 0.000 0.435 265 A N 1.271 124.124 122.820 0.055 0.000 1.933 265 A HA -0.191 4.078 4.320 -0.084 0.000 0.218 265 A C 2.145 179.725 177.584 -0.006 0.000 1.175 265 A CA 1.413 53.496 52.037 0.077 0.000 0.628 265 A CB -0.872 18.175 19.000 0.078 0.000 0.814 265 A HN 0.552 nan 8.150 nan 0.000 0.444 266 H N -0.335 118.702 119.070 -0.056 0.000 2.387 266 H HA -0.087 4.421 4.556 -0.081 0.000 0.299 266 H C 2.214 177.447 175.328 -0.157 0.000 1.090 266 H CA 1.928 57.912 56.048 -0.108 0.000 1.332 266 H CB -0.219 29.468 29.762 -0.125 0.000 1.386 266 H HN 0.490 nan 8.280 nan 0.000 0.516 267 T N 1.273 115.789 114.554 -0.063 0.000 2.777 267 T HA -0.085 4.214 4.350 -0.084 0.000 0.266 267 T C 2.452 177.081 174.700 -0.118 0.000 1.040 267 T CA 0.699 62.713 62.100 -0.144 0.000 1.141 267 T CB -0.281 68.493 68.868 -0.156 0.000 0.868 267 T HN 0.196 nan 8.240 nan 0.000 0.444 268 L N 0.444 121.614 121.223 -0.089 0.000 2.046 268 L HA -0.059 4.230 4.340 -0.084 0.000 0.208 268 L C 2.502 179.281 176.870 -0.152 0.000 1.077 268 L CA 1.174 55.943 54.840 -0.118 0.000 0.747 268 L CB -0.673 41.332 42.059 -0.090 0.000 0.896 268 L HN 0.249 nan 8.230 nan 0.000 0.432 269 L N -0.797 120.352 121.223 -0.123 0.000 2.046 269 L HA -0.230 4.059 4.340 -0.084 0.000 0.208 269 L C 2.571 179.360 176.870 -0.135 0.000 1.077 269 L CA 0.761 55.519 54.840 -0.136 0.000 0.747 269 L CB -0.484 41.503 42.059 -0.120 0.000 0.896 269 L HN 0.257 nan 8.230 nan 0.000 0.432 270 L N -0.017 121.128 121.223 -0.129 0.000 2.046 270 L HA -0.172 4.117 4.340 -0.084 0.000 0.208 270 L C 2.706 179.537 176.870 -0.065 0.000 1.077 270 L CA 1.656 56.426 54.840 -0.116 0.000 0.747 270 L CB -0.486 41.491 42.059 -0.136 0.000 0.896 270 L HN 0.072 nan 8.230 nan 0.000 0.432 271 R N -0.544 119.895 120.500 -0.102 0.000 2.073 271 R HA -0.202 4.087 4.340 -0.084 0.000 0.234 271 R C 2.200 178.438 176.300 -0.103 0.000 1.134 271 R CA 1.414 57.454 56.100 -0.100 0.000 0.952 271 R CB -0.402 29.818 30.300 -0.134 0.000 0.850 271 R HN 0.389 nan 8.270 nan 0.000 0.433 272 E N 0.270 120.381 120.200 -0.149 0.000 2.118 272 E HA -0.245 4.054 4.350 -0.084 0.000 0.195 272 E C 1.715 178.233 176.600 -0.138 0.000 0.992 272 E CA 1.780 58.061 56.400 -0.199 0.000 0.804 272 E CB -0.170 29.339 29.700 -0.319 0.000 0.741 272 E HN 0.463 nan 8.360 nan 0.000 0.458 273 H N -0.049 118.947 119.070 -0.123 0.000 2.270 273 H HA -0.041 4.465 4.556 -0.083 0.000 0.299 273 H C 1.744 177.049 175.328 -0.037 0.000 1.077 273 H CA 2.291 58.312 56.048 -0.044 0.000 1.294 273 H CB -0.275 29.505 29.762 0.029 0.000 1.371 273 H HN 0.127 nan 8.280 nan 0.000 0.491 274 N N 0.493 119.186 118.700 -0.012 0.000 2.069 274 N HA -0.177 4.512 4.740 -0.084 0.000 0.191 274 N C 2.077 177.515 175.510 -0.120 0.000 1.031 274 N CA 1.329 54.356 53.050 -0.039 0.000 0.852 274 N CB -0.467 38.050 38.487 0.050 0.000 1.018 274 N HN 0.418 nan 8.380 nan 0.000 0.423 275 R N 0.781 121.209 120.500 -0.121 0.000 2.105 275 R HA -0.033 4.256 4.340 -0.084 0.000 0.239 275 R C 2.056 178.254 176.300 -0.170 0.000 1.135 275 R CA 0.909 56.931 56.100 -0.130 0.000 0.967 275 R CB -0.254 29.962 30.300 -0.140 0.000 0.861 275 R HN 0.216 nan 8.270 nan 0.000 0.442 276 L N -0.069 121.017 121.223 -0.228 0.000 2.141 276 L HA -0.079 4.210 4.340 -0.084 0.000 0.209 276 L C 2.600 179.322 176.870 -0.246 0.000 1.094 276 L CA 1.056 55.739 54.840 -0.263 0.000 0.763 276 L CB -0.369 41.509 42.059 -0.302 0.000 0.908 276 L HN 0.297 nan 8.230 nan 0.000 0.437 277 A N -0.024 122.632 122.820 -0.273 0.000 1.929 277 A HA -0.139 4.131 4.320 -0.084 0.000 0.216 277 A C 2.375 179.902 177.584 -0.095 0.000 1.176 277 A CA 1.034 52.963 52.037 -0.179 0.000 0.628 277 A CB -0.303 18.597 19.000 -0.166 0.000 0.816 277 A HN 0.292 nan 8.150 nan 0.000 0.444 278 R N -0.520 119.923 120.500 -0.096 0.000 2.073 278 R HA -0.050 4.239 4.340 -0.084 0.000 0.229 278 R C 2.057 178.309 176.300 -0.079 0.000 1.120 278 R CA 1.294 57.354 56.100 -0.067 0.000 0.967 278 R CB -0.229 30.037 30.300 -0.056 0.000 0.862 278 R HN 0.607 nan 8.270 nan 0.000 0.436 279 E N 0.720 120.857 120.200 -0.105 0.000 2.106 279 E HA -0.116 4.184 4.350 -0.084 0.000 0.192 279 E C 2.003 178.533 176.600 -0.117 0.000 0.984 279 E CA 0.767 57.103 56.400 -0.107 0.000 0.806 279 E CB 0.074 29.698 29.700 -0.127 0.000 0.750 279 E HN 0.297 nan 8.360 nan 0.000 0.458 280 L N 0.710 121.858 121.223 -0.125 0.000 2.201 280 L HA -0.167 4.122 4.340 -0.084 0.000 0.212 280 L C 2.470 179.238 176.870 -0.171 0.000 1.105 280 L CA 0.772 55.530 54.840 -0.137 0.000 0.775 280 L CB -0.306 41.736 42.059 -0.028 0.000 0.913 280 L HN 0.002 nan 8.230 nan 0.000 0.440 281 K N 1.071 121.412 120.400 -0.099 0.000 1.984 281 K HA -0.149 4.120 4.320 -0.084 0.000 0.209 281 K C 1.979 178.515 176.600 -0.106 0.000 1.046 281 K CA 1.543 57.781 56.287 -0.083 0.000 0.934 281 K CB -0.119 32.360 32.500 -0.034 0.000 0.717 281 K HN 0.017 nan 8.250 nan 0.000 0.438 282 K N 0.160 120.510 120.400 -0.084 0.000 2.052 282 K HA -0.194 4.076 4.320 -0.084 0.000 0.215 282 K C 2.119 178.666 176.600 -0.089 0.000 1.053 282 K CA 2.173 58.418 56.287 -0.070 0.000 0.934 282 K CB -0.427 32.036 32.500 -0.061 0.000 0.717 282 K HN 0.156 nan 8.250 nan 0.000 0.450 283 L N 0.503 121.650 121.223 -0.128 0.000 2.217 283 L HA -0.099 4.191 4.340 -0.084 0.000 0.211 283 L C 0.361 177.093 176.870 -0.231 0.000 1.107 283 L CA 0.656 55.409 54.840 -0.146 0.000 0.783 283 L CB -0.043 41.932 42.059 -0.141 0.000 0.919 283 L HN 0.169 nan 8.230 nan 0.000 0.442 284 N N -1.118 117.356 118.700 -0.376 0.000 2.752 284 N HA 0.180 4.869 4.740 -0.084 0.000 0.260 284 N C -2.125 173.136 175.510 -0.415 0.000 1.562 284 N CA -0.904 51.769 53.050 -0.628 0.000 0.788 284 N CB 1.114 38.599 38.487 -1.669 0.000 1.192 284 N HN -0.137 nan 8.380 nan 0.000 0.503 285 P HA -0.164 nan 4.420 nan 0.000 0.221 285 P C 1.287 178.637 177.300 0.082 0.000 1.145 285 P CA 1.328 64.437 63.100 0.015 0.000 0.795 285 P CB 0.099 31.836 31.700 0.061 0.000 0.775 286 H N -3.856 115.235 119.070 0.035 0.000 2.482 286 H HA -0.012 4.494 4.556 -0.083 0.000 0.286 286 H C 0.335 175.822 175.328 0.264 0.000 1.017 286 H CA -0.052 56.072 56.048 0.126 0.000 1.322 286 H CB -1.238 28.601 29.762 0.128 0.000 1.426 286 H HN 0.057 nan 8.280 nan 0.000 0.546 287 W N 4.682 125.751 121.300 -0.385 0.000 2.343 287 W HA -0.010 4.591 4.660 -0.097 0.000 0.337 287 W C 0.687 177.171 176.519 -0.060 0.000 1.320 287 W CA -0.359 56.869 57.345 -0.196 0.000 1.290 287 W CB -0.355 28.981 29.460 -0.206 0.000 1.206 287 W HN 0.416 nan 8.180 nan 0.000 0.565 288 N N 0.993 119.790 118.700 0.162 0.000 2.328 288 N HA 0.329 5.019 4.740 -0.084 0.000 0.277 288 N C 1.314 176.877 175.510 0.088 0.000 1.286 288 N CA 0.230 53.340 53.050 0.100 0.000 0.949 288 N CB -0.400 38.123 38.487 0.060 0.000 1.136 288 N HN 0.345 nan 8.380 nan 0.000 0.550 289 G N -0.639 108.196 108.800 0.058 0.000 2.524 289 G HA2 -0.341 3.568 3.960 -0.084 0.000 0.215 289 G HA3 -0.341 3.568 3.960 -0.084 0.000 0.215 289 G C 1.212 176.143 174.900 0.051 0.000 1.239 289 G CA 1.300 46.432 45.100 0.054 0.000 0.798 289 G HN 0.752 nan 8.290 nan 0.000 0.557 290 E N 0.629 120.836 120.200 0.011 0.000 2.095 290 E HA -0.281 4.019 4.350 -0.084 0.000 0.212 290 E C 2.311 178.895 176.600 -0.027 0.000 1.044 290 E CA 2.170 58.568 56.400 -0.003 0.000 0.857 290 E CB -0.318 29.366 29.700 -0.027 0.000 0.764 290 E HN 0.349 nan 8.360 nan 0.000 0.462 291 K N -0.003 120.351 120.400 -0.076 0.000 2.074 291 K HA -0.146 4.123 4.320 -0.084 0.000 0.209 291 K C 2.173 178.690 176.600 -0.139 0.000 1.048 291 K CA 1.843 58.007 56.287 -0.205 0.000 0.926 291 K CB -0.556 31.757 32.500 -0.312 0.000 0.713 291 K HN 0.298 nan 8.250 nan 0.000 0.444 292 L N -0.594 120.659 121.223 0.051 0.000 2.017 292 L HA -0.181 4.108 4.340 -0.084 0.000 0.208 292 L C 2.376 179.286 176.870 0.067 0.000 1.073 292 L CA 1.618 56.539 54.840 0.135 0.000 0.745 292 L CB -0.653 41.496 42.059 0.150 0.000 0.894 292 L HN 0.276 nan 8.230 nan 0.000 0.432 293 Y N 0.730 121.005 120.300 -0.042 0.000 2.097 293 Y HA -0.305 4.201 4.550 -0.074 0.000 0.282 293 Y C 2.812 178.625 175.900 -0.145 0.000 1.152 293 Y CA 1.657 59.759 58.100 0.002 0.000 1.136 293 Y CB -0.235 38.204 38.460 -0.035 0.000 0.975 293 Y HN 0.141 nan 8.280 nan 0.000 0.498 294 Q N 0.377 119.967 119.800 -0.350 0.000 2.050 294 Q HA -0.187 4.102 4.340 -0.084 0.000 0.202 294 Q C 2.069 177.673 176.000 -0.660 0.000 0.980 294 Q CA 1.723 57.044 55.803 -0.802 0.000 0.840 294 Q CB -0.430 27.455 28.738 -1.423 0.000 0.898 294 Q HN 0.613 nan 8.270 nan 0.000 0.424 295 E N 0.292 120.257 120.200 -0.392 0.000 2.204 295 E HA -0.071 4.228 4.350 -0.084 0.000 0.194 295 E C 1.751 178.337 176.600 -0.023 0.000 0.989 295 E CA 0.878 57.248 56.400 -0.050 0.000 0.824 295 E CB 0.032 29.821 29.700 0.148 0.000 0.756 295 E HN 0.307 nan 8.360 nan 0.000 0.477 296 A N 1.284 124.023 122.820 -0.135 0.000 1.855 296 A HA -0.113 4.157 4.320 -0.084 0.000 0.213 296 A C 2.199 179.734 177.584 -0.081 0.000 1.195 296 A CA 1.211 53.147 52.037 -0.168 0.000 0.610 296 A CB -0.458 18.306 19.000 -0.393 0.000 0.837 296 A HN 0.132 nan 8.150 nan 0.000 0.444 297 R N 0.207 120.558 120.500 -0.248 0.000 2.162 297 R HA -0.290 3.999 4.340 -0.084 0.000 0.245 297 R C 2.269 178.462 176.300 -0.178 0.000 1.129 297 R CA 2.550 58.327 56.100 -0.539 0.000 0.940 297 R CB -0.379 29.199 30.300 -1.203 0.000 0.875 297 R HN 0.527 nan 8.270 nan 0.000 0.437 298 K N 0.117 120.440 120.400 -0.127 0.000 2.063 298 K HA -0.162 4.108 4.320 -0.084 0.000 0.208 298 K C 2.099 178.884 176.600 0.307 0.000 1.048 298 K CA 2.057 58.401 56.287 0.094 0.000 0.928 298 K CB -0.164 32.421 32.500 0.141 0.000 0.713 298 K HN 0.318 nan 8.250 nan 0.000 0.442 299 I N 0.768 121.492 120.570 0.257 0.000 2.252 299 I HA -0.256 3.864 4.170 -0.084 0.000 0.245 299 I C 2.296 178.498 176.117 0.141 0.000 1.102 299 I CA 0.553 61.981 61.300 0.213 0.000 1.385 299 I CB -0.199 37.775 38.000 -0.043 0.000 1.064 299 I HN 0.224 nan 8.210 nan 0.000 0.414 300 L N 1.127 122.432 121.223 0.137 0.000 2.083 300 L HA -0.066 4.223 4.340 -0.084 0.000 0.209 300 L C 2.325 179.355 176.870 0.268 0.000 1.083 300 L CA 2.012 56.966 54.840 0.190 0.000 0.752 300 L CB -1.079 41.129 42.059 0.247 0.000 0.899 300 L HN 0.178 nan 8.230 nan 0.000 0.433 301 G N -1.271 107.674 108.800 0.241 0.000 2.422 301 G HA2 -0.221 3.689 3.960 -0.084 0.000 0.218 301 G HA3 -0.221 3.689 3.960 -0.084 0.000 0.218 301 G C 1.595 176.591 174.900 0.160 0.000 1.146 301 G CA 0.718 45.953 45.100 0.224 0.000 0.769 301 G HN 0.598 nan 8.290 nan 0.000 0.547 302 A N 0.593 123.499 122.820 0.143 0.000 1.873 302 A HA 0.080 4.349 4.320 -0.084 0.000 0.215 302 A C 2.140 179.571 177.584 -0.254 0.000 1.186 302 A CA 1.536 53.522 52.037 -0.085 0.000 0.616 302 A CB -0.597 18.344 19.000 -0.098 0.000 0.823 302 A HN 0.420 nan 8.150 nan 0.000 0.442 303 F N 0.945 120.785 119.950 -0.183 0.000 2.065 303 F HA -0.228 4.172 4.527 -0.211 0.000 0.298 303 F C 1.949 177.732 175.800 -0.027 0.000 1.112 303 F CA 2.044 59.946 58.000 -0.163 0.000 1.212 303 F CB -0.308 38.630 39.000 -0.102 0.000 0.975 303 F HN 0.194 nan 8.300 nan 0.000 0.476 304 I N 0.175 120.816 120.570 0.118 0.000 2.286 304 I HA -0.325 3.794 4.170 -0.084 0.000 0.248 304 I C 2.376 178.614 176.117 0.202 0.000 1.115 304 I CA 1.503 62.958 61.300 0.258 0.000 1.392 304 I CB -0.661 37.553 38.000 0.357 0.000 1.065 304 I HN 0.332 nan 8.210 nan 0.000 0.418 305 Q N 0.445 120.269 119.800 0.040 0.000 2.119 305 Q HA -0.139 4.151 4.340 -0.084 0.000 0.201 305 Q C 2.365 178.357 176.000 -0.013 0.000 0.972 305 Q CA 1.351 57.169 55.803 0.025 0.000 0.847 305 Q CB 0.005 28.494 28.738 -0.415 0.000 0.903 305 Q HN 0.555 nan 8.270 nan 0.000 0.433 306 I N 0.540 120.891 120.570 -0.365 0.000 2.193 306 I HA -0.244 3.876 4.170 -0.084 0.000 0.240 306 I C 2.118 178.164 176.117 -0.119 0.000 1.084 306 I CA 0.703 61.800 61.300 -0.339 0.000 1.365 306 I CB -0.225 37.378 38.000 -0.662 0.000 1.064 306 I HN 0.196 nan 8.210 nan 0.000 0.410 307 I N 0.711 121.104 120.570 -0.294 0.000 2.208 307 I HA -0.262 3.858 4.170 -0.084 0.000 0.245 307 I C 2.586 178.738 176.117 0.058 0.000 1.097 307 I CA 1.840 62.988 61.300 -0.254 0.000 1.363 307 I CB -1.733 35.846 38.000 -0.702 0.000 1.051 307 I HN 0.279 nan 8.210 nan 0.000 0.413 308 T N 1.089 115.840 114.554 0.329 0.000 2.674 308 T HA -0.140 4.160 4.350 -0.084 0.000 0.265 308 T C 1.749 176.632 174.700 0.305 0.000 1.039 308 T CA 1.505 63.916 62.100 0.519 0.000 1.150 308 T CB -0.369 68.882 68.868 0.639 0.000 0.864 308 T HN 0.102 nan 8.240 nan 0.000 0.427 309 F N 0.653 120.759 119.950 0.261 0.000 2.416 309 F HA 0.267 4.741 4.527 -0.089 0.000 0.296 309 F C 2.514 178.429 175.800 0.192 0.000 1.099 309 F CA 0.306 58.455 58.000 0.249 0.000 1.427 309 F CB -0.136 39.125 39.000 0.434 0.000 1.079 309 F HN -0.048 nan 8.300 nan 0.000 0.536 310 R N -0.070 120.620 120.500 0.318 0.000 2.128 310 R HA -0.026 4.263 4.340 -0.084 0.000 0.211 310 R C 1.128 177.518 176.300 0.149 0.000 1.067 310 R CA 1.285 57.513 56.100 0.213 0.000 1.010 310 R CB 0.049 30.448 30.300 0.164 0.000 0.922 310 R HN 0.120 nan 8.270 nan 0.000 0.457 311 D N -0.945 119.550 120.400 0.159 0.000 2.431 311 D HA -0.073 4.516 4.640 -0.084 0.000 0.235 311 D C 1.370 177.768 176.300 0.162 0.000 0.980 311 D CA 0.585 54.709 54.000 0.206 0.000 0.912 311 D CB -0.271 40.724 40.800 0.326 0.000 1.056 311 D HN 0.116 nan 8.370 nan 0.000 0.494 312 Y N 2.179 122.434 120.300 -0.076 0.000 2.138 312 Y HA 0.012 4.511 4.550 -0.085 0.000 0.286 312 Y C 2.283 178.108 175.900 -0.124 0.000 1.115 312 Y CA 1.170 59.124 58.100 -0.243 0.000 1.105 312 Y CB -0.519 37.831 38.460 -0.182 0.000 1.004 312 Y HN -0.207 nan 8.280 nan 0.000 0.494 313 L N 0.214 121.293 121.223 -0.239 0.000 2.081 313 L HA -0.191 4.099 4.340 -0.084 0.000 0.212 313 L C -0.576 176.144 176.870 -0.250 0.000 1.080 313 L CA 1.463 56.062 54.840 -0.401 0.000 0.754 313 L CB -1.878 39.868 42.059 -0.522 0.000 0.893 313 L HN 0.238 nan 8.230 nan 0.000 0.433 314 P HA -0.160 nan 4.420 nan 0.000 0.218 314 P C 1.606 178.845 177.300 -0.102 0.000 1.149 314 P CA 1.347 64.402 63.100 -0.074 0.000 0.817 314 P CB -0.045 31.644 31.700 -0.018 0.000 0.785 315 I N -5.734 114.753 120.570 -0.138 0.000 3.793 315 I HA 0.059 4.178 4.170 -0.084 0.000 0.315 315 I C 1.282 177.318 176.117 -0.136 0.000 1.275 315 I CA 0.346 61.556 61.300 -0.148 0.000 1.214 315 I CB -0.244 37.649 38.000 -0.179 0.000 1.018 315 I HN -0.239 nan 8.210 nan 0.000 0.439 316 V N 1.215 121.018 119.914 -0.186 0.000 2.492 316 V HA 0.026 4.096 4.120 -0.084 0.000 0.241 316 V C 2.218 178.205 176.094 -0.177 0.000 1.041 316 V CA 1.172 63.366 62.300 -0.175 0.000 1.057 316 V CB 0.111 31.716 31.823 -0.364 0.000 0.711 316 V HN 0.394 nan 8.190 nan 0.000 0.468 317 L N -0.391 120.740 121.223 -0.153 0.000 2.375 317 L HA 0.339 4.629 4.340 -0.084 0.000 0.215 317 L C 1.899 178.745 176.870 -0.039 0.000 1.108 317 L CA 0.856 55.648 54.840 -0.080 0.000 0.830 317 L CB -0.892 41.150 42.059 -0.028 0.000 0.959 317 L HN 0.518 nan 8.230 nan 0.000 0.457 318 G N 1.380 110.147 108.800 -0.055 0.000 2.660 318 G HA2 -0.472 3.438 3.960 -0.084 0.000 0.321 318 G HA3 -0.472 3.438 3.960 -0.084 0.000 0.321 318 G C 1.143 176.038 174.900 -0.008 0.000 1.246 318 G CA 1.163 46.240 45.100 -0.039 0.000 1.000 318 G HN 0.416 nan 8.290 nan 0.000 0.550 319 S N 0.291 115.990 115.700 -0.002 0.000 2.419 319 S HA -0.016 4.403 4.470 -0.084 0.000 0.233 319 S C 1.703 176.323 174.600 0.033 0.000 1.016 319 S CA 2.035 60.240 58.200 0.009 0.000 0.974 319 S CB -0.101 63.101 63.200 0.004 0.000 0.786 319 S HN 0.628 nan 8.310 nan 0.000 0.492 320 E N 0.785 121.027 120.200 0.070 0.000 2.435 320 E HA 0.101 4.400 4.350 -0.084 0.000 0.195 320 E C 1.612 178.333 176.600 0.202 0.000 1.029 320 E CA 0.294 56.790 56.400 0.160 0.000 0.865 320 E CB -0.450 29.406 29.700 0.261 0.000 0.833 320 E HN 0.545 nan 8.360 nan 0.000 0.510 321 M N 1.271 120.942 119.600 0.118 0.000 2.088 321 M HA -0.250 4.180 4.480 -0.084 0.000 0.256 321 M C 1.904 178.274 176.300 0.117 0.000 1.071 321 M CA 1.728 57.097 55.300 0.114 0.000 1.097 321 M CB -0.179 32.452 32.600 0.052 0.000 1.315 321 M HN -0.124 nan 8.290 nan 0.000 0.406 322 Q N 0.020 119.854 119.800 0.055 0.000 2.084 322 Q HA -0.203 4.086 4.340 -0.084 0.000 0.202 322 Q C 2.208 178.177 176.000 -0.052 0.000 0.978 322 Q CA 1.832 57.646 55.803 0.018 0.000 0.844 322 Q CB -0.743 27.993 28.738 -0.003 0.000 0.898 322 Q HN 0.686 nan 8.270 nan 0.000 0.426 323 K N -0.570 119.744 120.400 -0.144 0.000 2.152 323 K HA -0.184 4.085 4.320 -0.084 0.000 0.206 323 K C 1.378 177.614 176.600 -0.608 0.000 1.048 323 K CA 1.467 57.502 56.287 -0.419 0.000 0.933 323 K CB -0.033 32.121 32.500 -0.577 0.000 0.721 323 K HN 0.214 nan 8.250 nan 0.000 0.447 324 W N -0.193 121.126 121.300 0.032 0.000 2.842 324 W HA 0.303 4.912 4.660 -0.086 0.000 0.267 324 W C 0.336 176.898 176.519 0.073 0.000 1.219 324 W CA -0.424 56.950 57.345 0.049 0.000 1.458 324 W CB 0.701 30.200 29.460 0.066 0.000 1.006 324 W HN -0.187 nan 8.180 nan 0.000 0.603 325 I N 2.862 123.588 120.570 0.260 0.000 2.750 325 I HA 0.198 4.317 4.170 -0.084 0.000 0.279 325 I C -2.154 174.062 176.117 0.164 0.000 1.206 325 I CA -1.823 59.616 61.300 0.231 0.000 1.101 325 I CB 0.470 38.632 38.000 0.269 0.000 1.431 325 I HN -0.441 nan 8.210 nan 0.000 0.551 326 P HA 0.283 nan 4.420 nan 0.000 0.274 326 P C -2.488 174.883 177.300 0.119 0.000 1.237 326 P CA -1.281 61.868 63.100 0.083 0.000 0.793 326 P CB -0.296 31.426 31.700 0.037 0.000 0.977 327 P HA -0.115 nan 4.420 nan 0.000 0.266 327 P C -0.245 177.156 177.300 0.169 0.000 1.180 327 P CA 0.481 63.669 63.100 0.147 0.000 0.765 327 P CB -0.136 31.628 31.700 0.107 0.000 0.806 328 Y N 2.788 123.117 120.300 0.047 0.000 2.712 328 Y HA -0.063 4.440 4.550 -0.078 0.000 0.333 328 Y C 1.313 177.207 175.900 -0.010 0.000 1.225 328 Y CA 0.763 58.859 58.100 -0.008 0.000 1.499 328 Y CB 0.386 38.849 38.460 0.006 0.000 1.288 328 Y HN 0.368 nan 8.280 nan 0.000 0.575 329 Q N 3.919 123.497 119.800 -0.371 0.000 2.189 329 Q HA 0.313 4.603 4.340 -0.084 0.000 0.223 329 Q C 0.571 176.218 176.000 -0.588 0.000 0.828 329 Q CA 0.611 56.199 55.803 -0.359 0.000 0.967 329 Q CB 0.746 29.374 28.738 -0.184 0.000 1.139 329 Q HN 1.001 nan 8.270 nan 0.000 0.497 330 G N 1.009 109.051 108.800 -1.264 0.000 2.479 330 G HA2 -0.228 3.682 3.960 -0.084 0.000 0.686 330 G HA3 -0.228 3.682 3.960 -0.084 0.000 0.686 330 G C -1.443 173.267 174.900 -0.317 0.000 1.295 330 G CA -0.840 43.730 45.100 -0.884 0.000 0.922 330 G HN 0.092 nan 8.290 nan 0.000 0.582 331 Y N 1.912 122.132 120.300 -0.133 0.000 2.569 331 Y HA 0.503 5.005 4.550 -0.081 0.000 0.332 331 Y C 0.406 176.286 175.900 -0.033 0.000 1.120 331 Y CA -0.809 57.295 58.100 0.007 0.000 1.416 331 Y CB 0.709 39.186 38.460 0.030 0.000 1.210 331 Y HN 0.614 nan 8.280 nan 0.000 0.528 332 N N 6.069 124.626 118.700 -0.239 0.000 2.558 332 N HA 0.033 4.722 4.740 -0.084 0.000 0.242 332 N C 0.248 175.447 175.510 -0.518 0.000 0.979 332 N CA -0.405 52.431 53.050 -0.357 0.000 0.931 332 N CB 0.169 38.572 38.487 -0.140 0.000 1.122 332 N HN 0.838 nan 8.380 nan 0.000 0.508 333 N N 1.815 120.045 118.700 -0.783 0.000 2.609 333 N HA -0.058 4.632 4.740 -0.084 0.000 0.190 333 N C -0.072 175.338 175.510 -0.166 0.000 1.157 333 N CA 0.241 52.957 53.050 -0.556 0.000 0.918 333 N CB 0.126 38.346 38.487 -0.446 0.000 0.978 333 N HN 0.214 nan 8.380 nan 0.000 0.448 334 S N -0.291 115.328 115.700 -0.135 0.000 2.517 334 S HA 0.157 4.576 4.470 -0.084 0.000 0.214 334 S C 0.659 175.260 174.600 0.001 0.000 0.991 334 S CA -0.478 57.694 58.200 -0.047 0.000 0.906 334 S CB 0.556 63.725 63.200 -0.052 0.000 0.789 334 S HN 0.113 nan 8.310 nan 0.000 0.513 335 V N 3.339 123.263 119.914 0.016 0.000 2.583 335 V HA 0.185 4.254 4.120 -0.084 0.000 0.287 335 V C 0.146 176.304 176.094 0.107 0.000 1.051 335 V CA -0.784 61.553 62.300 0.061 0.000 1.010 335 V CB 0.996 32.865 31.823 0.077 0.000 0.988 335 V HN 0.204 nan 8.190 nan 0.000 0.478 336 D N 6.917 127.379 120.400 0.102 0.000 2.339 336 D HA 0.194 4.783 4.640 -0.084 0.000 0.256 336 D C -1.593 174.780 176.300 0.123 0.000 1.214 336 D CA -1.919 52.153 54.000 0.120 0.000 0.877 336 D CB 1.708 42.590 40.800 0.137 0.000 1.111 336 D HN 0.285 nan 8.370 nan 0.000 0.478 337 P HA 0.115 nan 4.420 nan 0.000 0.267 337 P C 0.175 177.402 177.300 -0.121 0.000 1.289 337 P CA -0.139 62.979 63.100 0.030 0.000 0.866 337 P CB 0.547 32.310 31.700 0.105 0.000 1.309 338 R N 0.353 120.818 120.500 -0.059 0.000 2.694 338 R HA 0.233 4.522 4.340 -0.084 0.000 0.268 338 R C 0.586 176.822 176.300 -0.108 0.000 1.061 338 R CA -0.412 55.630 56.100 -0.096 0.000 1.133 338 R CB 0.417 30.704 30.300 -0.022 0.000 1.020 338 R HN 0.015 nan 8.270 nan 0.000 0.475 339 I N 2.048 122.527 120.570 -0.152 0.000 2.395 339 I HA 0.012 4.131 4.170 -0.084 0.000 0.289 339 I C 0.958 176.942 176.117 -0.222 0.000 1.023 339 I CA 0.219 61.393 61.300 -0.210 0.000 1.350 339 I CB 1.118 39.055 38.000 -0.105 0.000 1.409 339 I HN 0.703 nan 8.210 nan 0.000 0.507 340 S N 5.258 120.695 115.700 -0.440 0.000 2.617 340 S HA 0.158 4.577 4.470 -0.084 0.000 0.269 340 S C 1.035 175.436 174.600 -0.332 0.000 1.292 340 S CA -0.563 57.259 58.200 -0.629 0.000 1.010 340 S CB 1.431 63.590 63.200 -1.736 0.000 0.944 340 S HN 0.640 nan 8.310 nan 0.000 0.536 341 N N 0.767 119.349 118.700 -0.197 0.000 2.084 341 N HA -0.137 4.552 4.740 -0.084 0.000 0.190 341 N C 1.741 177.256 175.510 0.009 0.000 1.030 341 N CA 1.558 54.617 53.050 0.015 0.000 0.849 341 N CB -0.761 37.831 38.487 0.174 0.000 1.012 341 N HN 0.549 nan 8.380 nan 0.000 0.423 342 V N 0.862 120.708 119.914 -0.113 0.000 2.469 342 V HA -0.207 3.862 4.120 -0.084 0.000 0.251 342 V C 2.116 178.081 176.094 -0.216 0.000 1.064 342 V CA 1.579 63.756 62.300 -0.205 0.000 1.066 342 V CB -0.787 30.541 31.823 -0.824 0.000 0.667 342 V HN 0.286 nan 8.190 nan 0.000 0.461 343 F N 2.036 121.710 119.950 -0.460 0.000 2.126 343 F HA -0.213 4.262 4.527 -0.086 0.000 0.299 343 F C 2.688 178.370 175.800 -0.197 0.000 1.096 343 F CA 2.420 60.206 58.000 -0.357 0.000 1.255 343 F CB -0.932 37.805 39.000 -0.437 0.000 0.997 343 F HN 0.395 nan 8.300 nan 0.000 0.479 344 T N -2.291 112.103 114.554 -0.268 0.000 2.996 344 T HA -0.207 4.092 4.350 -0.084 0.000 0.271 344 T C 1.694 176.012 174.700 -0.637 0.000 1.126 344 T CA 1.536 63.368 62.100 -0.445 0.000 1.103 344 T CB -1.032 67.550 68.868 -0.478 0.000 0.870 344 T HN 0.335 nan 8.240 nan 0.000 0.528 345 F N 0.862 120.694 119.950 -0.197 0.000 2.500 345 F HA 0.542 5.019 4.527 -0.083 0.000 0.285 345 F C 2.824 178.614 175.800 -0.016 0.000 1.088 345 F CA 0.045 57.981 58.000 -0.107 0.000 1.432 345 F CB -0.453 38.493 39.000 -0.090 0.000 1.131 345 F HN 0.172 nan 8.300 nan 0.000 0.582 346 A N -0.134 122.702 122.820 0.027 0.000 1.972 346 A HA -0.214 4.055 4.320 -0.084 0.000 0.219 346 A C 1.877 179.513 177.584 0.087 0.000 1.169 346 A CA 1.198 53.242 52.037 0.013 0.000 0.635 346 A CB -1.059 17.877 19.000 -0.107 0.000 0.810 346 A HN 0.385 nan 8.150 nan 0.000 0.446 347 F N 0.649 120.379 119.950 -0.366 0.000 2.748 347 F HA 0.095 4.569 4.527 -0.088 0.000 0.299 347 F C 1.850 177.371 175.800 -0.465 0.000 1.154 347 F CA 0.150 57.897 58.000 -0.423 0.000 1.446 347 F CB -0.380 38.144 39.000 -0.793 0.000 1.112 347 F HN 0.197 nan 8.300 nan 0.000 0.584 348 R N -0.262 120.175 120.500 -0.105 0.000 2.328 348 R HA -0.110 4.180 4.340 -0.084 0.000 0.200 348 R C 1.902 178.135 176.300 -0.112 0.000 0.983 348 R CA 0.587 56.461 56.100 -0.377 0.000 1.062 348 R CB -0.726 29.446 30.300 -0.214 0.000 0.956 348 R HN 0.395 nan 8.270 nan 0.000 0.479 349 F N -1.107 118.897 119.950 0.089 0.000 2.269 349 F HA 0.071 4.546 4.527 -0.086 0.000 0.301 349 F C 1.918 177.782 175.800 0.106 0.000 1.082 349 F CA 0.837 58.890 58.000 0.088 0.000 1.360 349 F CB -1.007 38.022 39.000 0.049 0.000 1.041 349 F HN -0.137 nan 8.300 nan 0.000 0.512 350 G N -0.244 108.026 108.800 -0.883 0.000 2.501 350 G HA2 -0.261 3.648 3.960 -0.084 0.000 0.220 350 G HA3 -0.261 3.648 3.960 -0.084 0.000 0.220 350 G C 1.281 176.161 174.900 -0.033 0.000 1.114 350 G CA 1.051 45.811 45.100 -0.567 0.000 0.757 350 G HN 0.638 nan 8.290 nan 0.000 0.559 351 H N -0.233 118.849 119.070 0.021 0.000 2.457 351 H HA 0.064 4.569 4.556 -0.085 0.000 0.294 351 H C 2.249 177.697 175.328 0.200 0.000 1.064 351 H CA 0.746 56.874 56.048 0.132 0.000 1.330 351 H CB 0.039 29.944 29.762 0.239 0.000 1.395 351 H HN 0.369 nan 8.280 nan 0.000 0.541 352 M N 0.384 120.190 119.600 0.344 0.000 2.563 352 M HA 0.015 4.445 4.480 -0.084 0.000 0.231 352 M C 0.416 176.863 176.300 0.243 0.000 1.136 352 M CA 0.893 56.362 55.300 0.282 0.000 1.026 352 M CB 0.270 33.007 32.600 0.228 0.000 1.597 352 M HN 0.310 nan 8.290 nan 0.000 0.495 353 E N 0.467 120.810 120.200 0.237 0.000 2.498 353 E HA 0.152 4.452 4.350 -0.084 0.000 0.203 353 E C -0.088 176.631 176.600 0.198 0.000 1.013 353 E CA -0.123 56.415 56.400 0.231 0.000 0.927 353 E CB 0.909 30.766 29.700 0.261 0.000 1.012 353 E HN 0.191 nan 8.360 nan 0.000 0.482 354 V N 4.793 124.819 119.914 0.188 0.000 2.488 354 V HA 0.156 4.225 4.120 -0.084 0.000 0.277 354 V C -1.858 174.342 176.094 0.177 0.000 1.046 354 V CA -1.457 60.941 62.300 0.165 0.000 0.986 354 V CB 0.580 32.497 31.823 0.157 0.000 0.989 354 V HN 0.057 nan 8.190 nan 0.000 0.475 355 P HA 0.225 nan 4.420 nan 0.000 0.280 355 P C 0.574 177.954 177.300 0.133 0.000 1.272 355 P CA -0.529 62.661 63.100 0.151 0.000 0.819 355 P CB 1.307 33.085 31.700 0.130 0.000 1.122 356 S N -1.217 114.562 115.700 0.131 0.000 2.522 356 S HA 0.046 4.465 4.470 -0.084 0.000 0.227 356 S C 0.852 175.493 174.600 0.069 0.000 0.986 356 S CA 0.588 58.852 58.200 0.106 0.000 0.929 356 S CB -1.099 62.164 63.200 0.106 0.000 0.769 356 S HN 0.755 nan 8.310 nan 0.000 0.529 357 T N -1.599 112.990 114.554 0.059 0.000 2.883 357 T HA 0.755 5.055 4.350 -0.084 0.000 0.296 357 T C -1.011 173.701 174.700 0.020 0.000 1.117 357 T CA -0.791 61.326 62.100 0.028 0.000 1.006 357 T CB 1.872 70.762 68.868 0.037 0.000 1.191 357 T HN 0.024 nan 8.240 nan 0.000 0.508 358 V N 1.257 121.167 119.914 -0.007 0.000 2.760 358 V HA 0.727 4.796 4.120 -0.084 0.000 0.309 358 V C -0.346 175.744 176.094 -0.005 0.000 1.077 358 V CA -0.736 61.559 62.300 -0.009 0.000 0.910 358 V CB 2.264 34.061 31.823 -0.044 0.000 1.008 358 V HN 1.166 nan 8.190 nan 0.000 0.424 359 S N 2.759 118.465 115.700 0.009 0.000 2.600 359 S HA 0.808 5.228 4.470 -0.084 0.000 0.300 359 S C -0.755 173.846 174.600 0.002 0.000 1.087 359 S CA -0.884 57.328 58.200 0.019 0.000 0.965 359 S CB 1.953 65.177 63.200 0.039 0.000 1.089 359 S HN 0.659 nan 8.310 nan 0.000 0.496 360 R N 1.127 121.646 120.500 0.031 0.000 2.437 360 R HA 0.657 4.946 4.340 -0.084 0.000 0.310 360 R C -1.213 175.118 176.300 0.051 0.000 0.955 360 R CA -0.231 55.867 56.100 -0.004 0.000 0.851 360 R CB 0.782 31.115 30.300 0.056 0.000 1.161 360 R HN 0.468 nan 8.270 nan 0.000 0.446 361 L N 2.384 123.558 121.223 -0.082 0.000 2.362 361 L HA 0.507 4.797 4.340 -0.084 0.000 0.271 361 L C -0.072 176.696 176.870 -0.170 0.000 1.002 361 L CA -1.257 53.520 54.840 -0.105 0.000 0.818 361 L CB 1.864 43.779 42.059 -0.240 0.000 1.298 361 L HN 0.673 nan 8.230 nan 0.000 0.420 362 D N 0.486 120.866 120.400 -0.033 0.000 2.447 362 D HA 0.017 4.606 4.640 -0.084 0.000 0.265 362 D C 0.669 176.833 176.300 -0.227 0.000 1.250 362 D CA -0.374 53.619 54.000 -0.011 0.000 1.046 362 D CB 0.674 41.567 40.800 0.155 0.000 1.095 362 D HN 0.456 nan 8.370 nan 0.000 0.555 363 E N -1.306 118.812 120.200 -0.137 0.000 2.333 363 E HA -0.157 4.142 4.350 -0.084 0.000 0.200 363 E C 0.587 177.085 176.600 -0.169 0.000 1.010 363 E CA 1.171 57.479 56.400 -0.153 0.000 0.841 363 E CB -0.390 29.276 29.700 -0.056 0.000 0.757 363 E HN 0.482 nan 8.360 nan 0.000 0.508 364 N N -1.187 117.415 118.700 -0.162 0.000 2.214 364 N HA 0.108 4.797 4.740 -0.084 0.000 0.214 364 N C -0.823 174.525 175.510 -0.270 0.000 1.132 364 N CA -0.133 52.815 53.050 -0.170 0.000 0.856 364 N CB 0.369 38.854 38.487 -0.003 0.000 1.020 364 N HN 0.071 nan 8.380 nan 0.000 0.509 365 Y N 0.292 120.308 120.300 -0.473 0.000 3.477 365 Y HA -0.269 4.229 4.550 -0.087 0.000 0.216 365 Y C -0.235 175.565 175.900 -0.167 0.000 1.296 365 Y CA 0.327 58.194 58.100 -0.390 0.000 1.535 365 Y CB -1.546 36.505 38.460 -0.681 0.000 1.482 365 Y HN 0.241 nan 8.280 nan 0.000 0.597 366 Q N -0.370 119.408 119.800 -0.036 0.000 2.399 366 Q HA 0.440 4.730 4.340 -0.084 0.000 0.276 366 Q C -2.371 173.648 176.000 0.031 0.000 1.098 366 Q CA -2.316 53.498 55.803 0.019 0.000 0.827 366 Q CB 1.560 30.313 28.738 0.024 0.000 1.386 366 Q HN -0.138 nan 8.270 nan 0.000 0.443 367 P HA -0.159 nan 4.420 nan 0.000 0.252 367 P C -0.884 176.467 177.300 0.084 0.000 1.147 367 P CA 0.657 63.794 63.100 0.061 0.000 0.779 367 P CB 0.003 31.723 31.700 0.032 0.000 0.733 368 W N 6.204 127.471 121.300 -0.055 0.000 2.433 368 W HA 0.464 5.076 4.660 -0.080 0.000 0.331 368 W C 0.625 177.125 176.519 -0.032 0.000 1.110 368 W CA 1.292 58.605 57.345 -0.053 0.000 1.450 368 W CB -0.050 29.369 29.460 -0.069 0.000 1.348 368 W HN 0.800 nan 8.180 nan 0.000 0.415 369 G N 6.142 114.650 108.800 -0.487 0.000 2.795 369 G HA2 -0.243 3.666 3.960 -0.084 0.000 0.664 369 G HA3 -0.243 3.666 3.960 -0.084 0.000 0.664 369 G C -1.748 173.036 174.900 -0.194 0.000 1.381 369 G CA -0.455 44.356 45.100 -0.481 0.000 0.853 369 G HN 0.388 nan 8.290 nan 0.000 0.545 370 P HA 0.158 nan 4.420 nan 0.000 0.231 370 P C 0.542 177.821 177.300 -0.036 0.000 1.168 370 P CA 1.139 64.192 63.100 -0.078 0.000 0.779 370 P CB 0.312 31.967 31.700 -0.075 0.000 0.844 371 E N -0.613 119.574 120.200 -0.023 0.000 3.659 371 E HA 0.414 4.713 4.350 -0.084 0.000 0.217 371 E C 1.066 177.695 176.600 0.048 0.000 1.141 371 E CA -0.292 56.117 56.400 0.013 0.000 1.340 371 E CB 0.118 29.832 29.700 0.022 0.000 1.295 371 E HN 0.014 nan 8.360 nan 0.000 0.434 372 A N 1.060 123.914 122.820 0.056 0.000 1.930 372 A HA -0.108 4.161 4.320 -0.084 0.000 0.217 372 A C 1.090 178.717 177.584 0.071 0.000 1.175 372 A CA 0.821 52.925 52.037 0.111 0.000 0.627 372 A CB 0.073 19.136 19.000 0.106 0.000 0.815 372 A HN 0.356 nan 8.150 nan 0.000 0.443 373 E N -0.078 120.146 120.200 0.041 0.000 2.156 373 E HA 0.573 4.872 4.350 -0.084 0.000 0.279 373 E C -1.449 175.152 176.600 0.002 0.000 0.965 373 E CA -0.413 56.002 56.400 0.024 0.000 0.789 373 E CB 0.598 30.315 29.700 0.029 0.000 1.098 373 E HN 0.381 nan 8.360 nan 0.000 0.397 374 L N 5.444 126.653 121.223 -0.023 0.000 2.370 374 L HA 0.516 4.805 4.340 -0.084 0.000 0.266 374 L C -2.350 174.474 176.870 -0.077 0.000 1.002 374 L CA -2.576 52.227 54.840 -0.061 0.000 0.818 374 L CB 2.117 44.114 42.059 -0.103 0.000 1.325 374 L HN 0.487 nan 8.230 nan 0.000 0.418 375 P HA 0.040 nan 4.420 nan 0.000 0.271 375 P C 0.419 177.611 177.300 -0.179 0.000 1.216 375 P CA -0.390 62.667 63.100 -0.072 0.000 0.776 375 P CB 0.817 32.505 31.700 -0.020 0.000 0.881 376 L N 4.373 125.535 121.223 -0.102 0.000 2.081 376 L HA -0.228 4.061 4.340 -0.084 0.000 0.212 376 L C 2.251 178.775 176.870 -0.575 0.000 1.080 376 L CA 1.964 56.670 54.840 -0.223 0.000 0.754 376 L CB -1.262 40.758 42.059 -0.065 0.000 0.893 376 L HN 0.545 nan 8.230 nan 0.000 0.433 377 H N -1.900 116.904 119.070 -0.443 0.000 2.491 377 H HA -0.056 4.449 4.556 -0.084 0.000 0.290 377 H C 1.506 176.635 175.328 -0.331 0.000 1.050 377 H CA 1.415 57.132 56.048 -0.551 0.000 1.309 377 H CB -1.151 28.679 29.762 0.114 0.000 1.392 377 H HN 0.523 nan 8.280 nan 0.000 0.554 378 T N -0.981 113.085 114.554 -0.813 0.000 3.194 378 T HA 0.189 4.489 4.350 -0.084 0.000 0.251 378 T C 1.504 176.019 174.700 -0.308 0.000 1.132 378 T CA 0.021 61.826 62.100 -0.491 0.000 1.028 378 T CB -0.378 68.226 68.868 -0.439 0.000 0.976 378 T HN 0.349 nan 8.240 nan 0.000 0.535 379 L N -0.490 120.482 121.223 -0.417 0.000 2.906 379 L HA 0.478 4.767 4.340 -0.084 0.000 0.255 379 L C -0.458 176.297 176.870 -0.192 0.000 1.166 379 L CA -0.687 53.969 54.840 -0.306 0.000 0.977 379 L CB 0.115 41.994 42.059 -0.300 0.000 1.313 379 L HN 0.125 nan 8.230 nan 0.000 0.549 380 F N 0.506 120.457 119.950 0.001 0.000 2.504 380 F HA 0.233 4.708 4.527 -0.085 0.000 0.369 380 F C 0.738 176.519 175.800 -0.032 0.000 1.082 380 F CA -0.815 57.141 58.000 -0.074 0.000 1.216 380 F CB -0.251 38.809 39.000 0.099 0.000 1.108 380 F HN -0.036 nan 8.300 nan 0.000 0.554 381 F N 0.687 120.736 119.950 0.166 0.000 3.090 381 F HA -0.318 4.159 4.527 -0.083 0.000 0.282 381 F C 0.508 176.302 175.800 -0.009 0.000 0.923 381 F CA 0.189 58.217 58.000 0.047 0.000 0.977 381 F CB -1.482 37.540 39.000 0.037 0.000 0.954 381 F HN 0.468 nan 8.300 nan 0.000 0.695 382 N N 0.712 119.433 118.700 0.035 0.000 2.546 382 N HA 0.264 4.954 4.740 -0.084 0.000 0.238 382 N C 0.946 176.374 175.510 -0.136 0.000 0.984 382 N CA 0.604 53.611 53.050 -0.071 0.000 0.935 382 N CB 1.005 39.357 38.487 -0.226 0.000 1.122 382 N HN 0.271 nan 8.380 nan 0.000 0.510 383 T N -0.432 114.064 114.554 -0.097 0.000 3.014 383 T HA 0.035 4.334 4.350 -0.084 0.000 0.250 383 T C 1.729 176.380 174.700 -0.083 0.000 1.060 383 T CA -0.348 61.660 62.100 -0.154 0.000 1.040 383 T CB -0.270 68.323 68.868 -0.459 0.000 0.971 383 T HN 0.633 nan 8.240 nan 0.000 0.497 384 W N 1.843 123.089 121.300 -0.091 0.000 2.467 384 W HA 0.194 4.804 4.660 -0.083 0.000 0.275 384 W C 1.342 177.850 176.519 -0.019 0.000 1.239 384 W CA -0.252 57.057 57.345 -0.060 0.000 1.266 384 W CB -0.639 28.782 29.460 -0.065 0.000 1.112 384 W HN 0.033 nan 8.180 nan 0.000 0.576 385 R N 1.235 121.233 120.500 -0.837 0.000 2.285 385 R HA -0.008 4.282 4.340 -0.084 0.000 0.213 385 R C 1.864 177.997 176.300 -0.279 0.000 1.068 385 R CA 0.922 56.553 56.100 -0.781 0.000 1.004 385 R CB -0.463 29.316 30.300 -0.870 0.000 0.873 385 R HN 0.434 nan 8.270 nan 0.000 0.467 386 I N -0.865 119.606 120.570 -0.166 0.000 2.810 386 I HA -0.057 4.063 4.170 -0.084 0.000 0.262 386 I C 2.075 178.182 176.117 -0.017 0.000 1.131 386 I CA 0.443 61.700 61.300 -0.073 0.000 1.453 386 I CB 0.054 38.031 38.000 -0.039 0.000 1.161 386 I HN -0.038 nan 8.210 nan 0.000 0.444 387 I N 0.689 121.251 120.570 -0.012 0.000 2.296 387 I HA -0.158 3.961 4.170 -0.084 0.000 0.242 387 I C 1.404 177.615 176.117 0.157 0.000 1.087 387 I CA 1.305 62.617 61.300 0.020 0.000 1.393 387 I CB -0.006 38.009 38.000 0.025 0.000 1.093 387 I HN 0.041 nan 8.210 nan 0.000 0.421 388 K N 0.249 120.781 120.400 0.220 0.000 2.577 388 K HA 0.023 4.292 4.320 -0.084 0.000 0.210 388 K C -0.456 176.322 176.600 0.297 0.000 1.048 388 K CA 0.164 56.611 56.287 0.267 0.000 1.188 388 K CB 0.223 32.906 32.500 0.305 0.000 0.910 388 K HN 0.043 nan 8.250 nan 0.000 0.483 389 D N -0.863 119.677 120.400 0.234 0.000 3.091 389 D HA 0.124 4.713 4.640 -0.084 0.000 0.306 389 D C 0.142 176.556 176.300 0.190 0.000 1.660 389 D CA 0.438 54.608 54.000 0.284 0.000 0.795 389 D CB 0.451 41.392 40.800 0.235 0.000 1.331 389 D HN 0.178 nan 8.370 nan 0.000 0.490 390 G N -0.354 108.512 108.800 0.109 0.000 2.200 390 G HA2 0.335 4.245 3.960 -0.084 0.000 0.145 390 G HA3 0.335 4.245 3.960 -0.084 0.000 0.145 390 G C 0.939 175.781 174.900 -0.097 0.000 1.021 390 G CA 0.336 45.347 45.100 -0.147 0.000 0.720 390 G HN 1.047 nan 8.290 nan 0.000 0.494 391 G N 0.010 108.874 108.800 0.106 0.000 2.668 391 G HA2 -0.066 3.843 3.960 -0.084 0.000 0.266 391 G HA3 -0.066 3.843 3.960 -0.084 0.000 0.266 391 G C 1.140 176.045 174.900 0.009 0.000 1.328 391 G CA 0.795 46.009 45.100 0.189 0.000 0.911 391 G HN 1.753 nan 8.290 nan 0.000 0.567 392 I N -3.169 117.419 120.570 0.030 0.000 3.603 392 I HA 0.262 4.382 4.170 -0.084 0.000 0.297 392 I C 1.598 177.648 176.117 -0.111 0.000 1.269 392 I CA 1.298 62.571 61.300 -0.045 0.000 1.361 392 I CB -0.029 37.967 38.000 -0.008 0.000 1.063 392 I HN 0.287 nan 8.210 nan 0.000 0.448 393 D N 2.909 123.221 120.400 -0.146 0.000 2.116 393 D HA -0.112 4.477 4.640 -0.084 0.000 0.193 393 D C -0.369 175.789 176.300 -0.238 0.000 0.998 393 D CA 1.733 55.629 54.000 -0.173 0.000 0.836 393 D CB -1.598 39.094 40.800 -0.180 0.000 0.951 393 D HN 0.342 nan 8.370 nan 0.000 0.449 394 P HA -0.062 nan 4.420 nan 0.000 0.218 394 P C 1.542 178.688 177.300 -0.257 0.000 1.149 394 P CA 0.823 63.672 63.100 -0.418 0.000 0.817 394 P CB 0.054 31.305 31.700 -0.749 0.000 0.785 395 L N -1.567 119.537 121.223 -0.199 0.000 2.131 395 L HA -0.082 4.207 4.340 -0.084 0.000 0.206 395 L C 2.276 179.115 176.870 -0.052 0.000 1.087 395 L CA 0.958 55.732 54.840 -0.110 0.000 0.767 395 L CB -0.945 41.058 42.059 -0.093 0.000 0.917 395 L HN -0.169 nan 8.230 nan 0.000 0.441 396 V N -0.023 119.863 119.914 -0.046 0.000 2.490 396 V HA -0.254 3.816 4.120 -0.084 0.000 0.250 396 V C 2.585 178.705 176.094 0.043 0.000 1.061 396 V CA 1.602 63.916 62.300 0.022 0.000 1.064 396 V CB -0.703 31.138 31.823 0.029 0.000 0.670 396 V HN 0.414 nan 8.190 nan 0.000 0.461 397 R N 0.303 120.772 120.500 -0.052 0.000 2.081 397 R HA -0.093 4.196 4.340 -0.084 0.000 0.235 397 R C 2.537 178.876 176.300 0.066 0.000 1.131 397 R CA 1.474 57.533 56.100 -0.070 0.000 0.960 397 R CB -0.861 29.117 30.300 -0.537 0.000 0.856 397 R HN 0.579 nan 8.270 nan 0.000 0.436 398 G N 1.341 110.144 108.800 0.004 0.000 2.440 398 G HA2 -0.237 3.672 3.960 -0.084 0.000 0.218 398 G HA3 -0.237 3.672 3.960 -0.084 0.000 0.218 398 G C 1.453 176.415 174.900 0.103 0.000 1.154 398 G CA 0.456 45.589 45.100 0.056 0.000 0.767 398 G HN 0.136 nan 8.290 nan 0.000 0.552 399 L N -0.243 121.033 121.223 0.088 0.000 2.127 399 L HA -0.037 4.253 4.340 -0.084 0.000 0.211 399 L C 2.816 179.756 176.870 0.117 0.000 1.089 399 L CA 0.612 55.508 54.840 0.094 0.000 0.757 399 L CB -0.212 41.890 42.059 0.073 0.000 0.899 399 L HN 0.231 nan 8.230 nan 0.000 0.434 400 L N -1.331 119.999 121.223 0.178 0.000 2.168 400 L HA -0.006 4.283 4.340 -0.084 0.000 0.203 400 L C 2.629 179.674 176.870 0.292 0.000 1.078 400 L CA 0.869 55.840 54.840 0.218 0.000 0.780 400 L CB -0.492 41.775 42.059 0.347 0.000 0.939 400 L HN 0.144 nan 8.230 nan 0.000 0.451 401 A N -1.000 122.046 122.820 0.378 0.000 2.081 401 A HA 0.047 4.316 4.320 -0.084 0.000 0.214 401 A C 1.048 178.764 177.584 0.219 0.000 1.158 401 A CA 0.560 52.804 52.037 0.346 0.000 0.724 401 A CB 0.040 19.282 19.000 0.403 0.000 0.826 401 A HN 0.033 nan 8.150 nan 0.000 0.463 402 K N 0.678 121.185 120.400 0.178 0.000 2.090 402 K HA 0.491 4.760 4.320 -0.084 0.000 0.249 402 K C -0.570 176.111 176.600 0.134 0.000 0.995 402 K CA -0.229 56.142 56.287 0.139 0.000 0.914 402 K CB 0.777 33.347 32.500 0.116 0.000 1.057 402 K HN 0.201 nan 8.250 nan 0.000 0.462 403 K N 0.400 120.874 120.400 0.122 0.000 2.118 403 K HA 0.355 4.624 4.320 -0.084 0.000 0.254 403 K C -0.046 176.639 176.600 0.143 0.000 0.961 403 K CA -0.522 55.839 56.287 0.124 0.000 0.876 403 K CB 1.501 34.061 32.500 0.101 0.000 1.077 403 K HN 0.415 nan 8.250 nan 0.000 0.440 404 S N 0.905 116.710 115.700 0.176 0.000 2.655 404 S HA 0.127 4.547 4.470 -0.084 0.000 0.265 404 S C -0.209 174.496 174.600 0.175 0.000 1.240 404 S CA -0.630 57.696 58.200 0.210 0.000 0.986 404 S CB 0.665 64.064 63.200 0.331 0.000 0.985 404 S HN 0.439 nan 8.310 nan 0.000 0.562 405 K N 1.053 121.563 120.400 0.182 0.000 2.234 405 K HA 0.339 4.609 4.320 -0.084 0.000 0.282 405 K C -0.729 175.965 176.600 0.156 0.000 1.039 405 K CA -0.582 55.798 56.287 0.155 0.000 0.928 405 K CB 0.420 33.023 32.500 0.171 0.000 1.039 405 K HN 0.427 nan 8.250 nan 0.000 0.470 406 L N 5.086 126.372 121.223 0.106 0.000 2.349 406 L HA 0.208 4.497 4.340 -0.084 0.000 0.275 406 L C 0.043 176.958 176.870 0.075 0.000 1.115 406 L CA -0.104 54.791 54.840 0.090 0.000 0.820 406 L CB 1.040 43.125 42.059 0.043 0.000 1.135 406 L HN 0.755 nan 8.230 nan 0.000 0.445 407 M N 5.130 124.787 119.600 0.095 0.000 2.245 407 M HA 0.137 4.566 4.480 -0.084 0.000 0.344 407 M C -0.887 175.417 176.300 0.006 0.000 1.170 407 M CA 0.569 55.910 55.300 0.069 0.000 1.135 407 M CB 0.201 32.855 32.600 0.091 0.000 1.574 407 M HN 0.853 nan 8.290 nan 0.000 0.452 408 N N 3.325 122.006 118.700 -0.032 0.000 2.425 408 N HA 0.193 4.883 4.740 -0.084 0.000 0.289 408 N C -0.212 175.257 175.510 -0.068 0.000 1.074 408 N CA -0.217 52.794 53.050 -0.066 0.000 0.905 408 N CB 1.416 39.830 38.487 -0.122 0.000 1.586 408 N HN 0.720 nan 8.380 nan 0.000 0.490 409 Q N 0.683 120.452 119.800 -0.052 0.000 2.297 409 Q HA -0.078 4.211 4.340 -0.084 0.000 0.208 409 Q C -0.082 175.897 176.000 -0.036 0.000 0.981 409 Q CA 1.383 57.159 55.803 -0.044 0.000 0.876 409 Q CB 0.309 29.024 28.738 -0.038 0.000 0.921 409 Q HN 0.574 nan 8.270 nan 0.000 0.446 410 D N -0.373 119.997 120.400 -0.051 0.000 2.379 410 D HA 0.066 4.655 4.640 -0.084 0.000 0.208 410 D C -0.089 176.175 176.300 -0.061 0.000 1.065 410 D CA 0.475 54.455 54.000 -0.032 0.000 0.848 410 D CB 0.541 41.325 40.800 -0.028 0.000 0.949 410 D HN 0.069 nan 8.370 nan 0.000 0.509 411 K N 0.726 121.009 120.400 -0.194 0.000 2.752 411 K HA 0.351 4.620 4.320 -0.084 0.000 0.199 411 K C 0.659 177.070 176.600 -0.314 0.000 1.069 411 K CA -0.065 55.872 56.287 -0.583 0.000 1.033 411 K CB 1.586 33.397 32.500 -1.149 0.000 1.229 411 K HN -0.154 nan 8.250 nan 0.000 0.572 412 M N 0.053 119.692 119.600 0.066 0.000 2.155 412 M HA 0.060 4.489 4.480 -0.084 0.000 0.258 412 M C 0.549 177.027 176.300 0.296 0.000 1.092 412 M CA 1.033 56.418 55.300 0.141 0.000 1.153 412 M CB 0.363 33.036 32.600 0.122 0.000 1.316 412 M HN 0.031 nan 8.290 nan 0.000 0.431 413 V N 0.690 120.856 119.914 0.420 0.000 2.444 413 V HA 0.189 4.259 4.120 -0.084 0.000 0.294 413 V C 0.043 176.350 176.094 0.354 0.000 1.022 413 V CA -0.834 61.702 62.300 0.394 0.000 0.850 413 V CB 1.497 33.526 31.823 0.343 0.000 0.992 413 V HN 0.319 nan 8.190 nan 0.000 0.426 414 T N 2.995 117.737 114.554 0.313 0.000 2.937 414 T HA 0.005 4.305 4.350 -0.084 0.000 0.316 414 T C 1.411 176.103 174.700 -0.013 0.000 1.079 414 T CA 0.483 62.619 62.100 0.059 0.000 1.131 414 T CB 0.779 69.746 68.868 0.164 0.000 1.000 414 T HN 0.779 nan 8.240 nan 0.000 0.549 415 S N 3.103 118.715 115.700 -0.147 0.000 2.469 415 S HA -0.067 4.353 4.470 -0.084 0.000 0.238 415 S C 1.894 176.521 174.600 0.046 0.000 0.998 415 S CA 0.486 58.650 58.200 -0.061 0.000 0.957 415 S CB -0.163 62.969 63.200 -0.115 0.000 0.764 415 S HN 0.701 nan 8.310 nan 0.000 0.514 416 E N 1.115 121.373 120.200 0.097 0.000 2.153 416 E HA -0.054 4.245 4.350 -0.084 0.000 0.194 416 E C 1.784 178.599 176.600 0.359 0.000 0.988 416 E CA 0.840 57.370 56.400 0.216 0.000 0.811 416 E CB -0.158 29.668 29.700 0.210 0.000 0.746 416 E HN 0.498 nan 8.360 nan 0.000 0.466 417 L N -0.665 120.714 121.223 0.259 0.000 2.316 417 L HA 0.139 4.428 4.340 -0.084 0.000 0.207 417 L C 2.602 179.544 176.870 0.119 0.000 1.070 417 L CA 0.154 55.117 54.840 0.204 0.000 0.820 417 L CB -0.095 42.041 42.059 0.129 0.000 0.992 417 L HN -0.067 nan 8.230 nan 0.000 0.466 418 R N 0.049 120.615 120.500 0.109 0.000 2.148 418 R HA -0.044 4.246 4.340 -0.084 0.000 0.223 418 R C 1.377 177.724 176.300 0.078 0.000 1.088 418 R CA 1.084 57.237 56.100 0.089 0.000 0.985 418 R CB 0.234 30.585 30.300 0.084 0.000 0.880 418 R HN 0.348 nan 8.270 nan 0.000 0.451 419 N N -0.809 117.936 118.700 0.074 0.000 2.239 419 N HA 0.052 4.741 4.740 -0.084 0.000 0.208 419 N C -0.073 175.496 175.510 0.098 0.000 1.200 419 N CA 0.352 53.434 53.050 0.053 0.000 0.895 419 N CB 0.959 39.445 38.487 -0.002 0.000 1.085 419 N HN 0.041 nan 8.380 nan 0.000 0.500 420 K N 0.754 121.256 120.400 0.171 0.000 2.646 420 K HA 0.242 4.511 4.320 -0.084 0.000 0.206 420 K C -0.336 176.573 176.600 0.515 0.000 1.069 420 K CA -0.323 56.136 56.287 0.286 0.000 1.067 420 K CB 1.004 33.588 32.500 0.141 0.000 0.807 420 K HN -0.077 nan 8.250 nan 0.000 0.482 421 L N 1.296 122.712 121.223 0.321 0.000 2.426 421 L HA 0.266 4.555 4.340 -0.084 0.000 0.271 421 L C -0.577 176.394 176.870 0.169 0.000 1.169 421 L CA -0.015 54.848 54.840 0.038 0.000 0.836 421 L CB 0.228 42.217 42.059 -0.117 0.000 1.112 421 L HN 0.049 nan 8.230 nan 0.000 0.465 422 F N 4.442 124.284 119.950 -0.180 0.000 2.443 422 F HA 0.486 4.962 4.527 -0.085 0.000 0.335 422 F C -0.417 175.313 175.800 -0.115 0.000 1.104 422 F CA -0.299 57.654 58.000 -0.079 0.000 1.013 422 F CB 1.010 39.930 39.000 -0.134 0.000 1.136 422 F HN 0.467 nan 8.300 nan 0.000 0.470 423 Q N 6.923 126.195 119.800 -0.880 0.000 2.340 423 Q HA 0.348 4.638 4.340 -0.084 0.000 0.268 423 Q C -2.573 172.918 176.000 -0.848 0.000 1.031 423 Q CA -2.188 53.204 55.803 -0.684 0.000 0.804 423 Q CB 2.062 30.251 28.738 -0.915 0.000 1.286 423 Q HN 0.406 nan 8.270 nan 0.000 0.448 424 P HA -0.062 nan 4.420 nan 0.000 0.265 424 P C -0.087 176.830 177.300 -0.638 0.000 1.187 424 P CA 0.894 63.644 63.100 -0.584 0.000 0.766 424 P CB 0.440 31.861 31.700 -0.465 0.000 0.820 425 T N -1.161 113.008 114.554 -0.642 0.000 8.466 425 T HA -0.191 4.109 4.350 -0.084 0.000 0.319 425 T C 0.480 174.756 174.700 -0.706 0.000 2.022 425 T CA 1.295 63.008 62.100 -0.645 0.000 3.147 425 T CB -1.887 66.601 68.868 -0.634 0.000 2.153 425 T HN 0.602 nan 8.240 nan 0.000 1.109 426 H N 0.964 119.781 119.070 -0.423 0.000 2.482 426 H HA 0.455 4.960 4.556 -0.085 0.000 0.344 426 H C 1.146 176.228 175.328 -0.410 0.000 1.151 426 H CA -0.343 55.554 56.048 -0.251 0.000 1.300 426 H CB 1.037 30.757 29.762 -0.070 0.000 1.494 426 H HN 0.312 nan 8.280 nan 0.000 0.542 427 K N 1.286 121.689 120.400 0.004 0.000 2.373 427 K HA 0.244 4.513 4.320 -0.084 0.000 0.200 427 K C 0.479 177.347 176.600 0.446 0.000 1.054 427 K CA 0.253 56.644 56.287 0.172 0.000 1.065 427 K CB 0.726 33.401 32.500 0.292 0.000 0.886 427 K HN 0.422 nan 8.250 nan 0.000 0.546 428 I N -1.597 119.177 120.570 0.339 0.000 2.603 428 I HA 0.336 4.455 4.170 -0.084 0.000 0.300 428 I C -0.544 175.874 176.117 0.503 0.000 1.017 428 I CA -1.178 60.378 61.300 0.427 0.000 1.098 428 I CB 1.216 39.362 38.000 0.243 0.000 1.279 428 I HN -0.107 nan 8.210 nan 0.000 0.437 429 H N 3.857 123.224 119.070 0.496 0.000 2.970 429 H HA 0.423 4.929 4.556 -0.085 0.000 0.226 429 H C 0.810 176.325 175.328 0.311 0.000 1.909 429 H CA -0.010 56.353 56.048 0.525 0.000 1.388 429 H CB 0.264 30.331 29.762 0.508 0.000 1.773 429 H HN 0.894 nan 8.280 nan 0.000 0.559 430 G N 0.521 109.511 108.800 0.317 0.000 4.299 430 G HA2 0.102 4.011 3.960 -0.084 0.000 0.290 430 G HA3 0.102 4.011 3.960 -0.084 0.000 0.290 430 G C -0.346 174.539 174.900 -0.025 0.000 1.019 430 G CA -0.210 44.953 45.100 0.105 0.000 0.790 430 G HN 0.168 nan 8.290 nan 0.000 0.452 431 F N 0.478 120.463 119.950 0.059 0.000 2.380 431 F HA 0.542 5.018 4.527 -0.084 0.000 0.319 431 F C 0.059 175.870 175.800 0.019 0.000 1.113 431 F CA -0.800 57.208 58.000 0.013 0.000 1.056 431 F CB 1.454 40.418 39.000 -0.060 0.000 1.289 431 F HN -0.103 nan 8.300 nan 0.000 0.515 432 D N 1.571 122.106 120.400 0.225 0.000 2.454 432 D HA 0.159 4.748 4.640 -0.084 0.000 0.247 432 D C 0.547 176.886 176.300 0.065 0.000 1.129 432 D CA -0.346 53.726 54.000 0.120 0.000 0.877 432 D CB 1.216 42.075 40.800 0.098 0.000 1.082 432 D HN 0.367 nan 8.370 nan 0.000 0.537 433 L N 4.425 125.650 121.223 0.003 0.000 2.127 433 L HA -0.018 4.272 4.340 -0.084 0.000 0.211 433 L C 1.987 178.772 176.870 -0.142 0.000 1.089 433 L CA 2.225 57.005 54.840 -0.101 0.000 0.757 433 L CB -0.514 41.416 42.059 -0.214 0.000 0.899 433 L HN 0.502 nan 8.230 nan 0.000 0.434 434 A N -0.712 122.075 122.820 -0.055 0.000 1.873 434 A HA -0.077 4.192 4.320 -0.084 0.000 0.215 434 A C 2.458 179.968 177.584 -0.124 0.000 1.186 434 A CA 1.701 53.686 52.037 -0.086 0.000 0.616 434 A CB -1.120 18.025 19.000 0.241 0.000 0.823 434 A HN 0.519 nan 8.150 nan 0.000 0.442 435 A N -0.084 122.723 122.820 -0.021 0.000 1.902 435 A HA -0.090 4.179 4.320 -0.084 0.000 0.217 435 A C 2.117 179.642 177.584 -0.099 0.000 1.181 435 A CA 1.561 53.576 52.037 -0.036 0.000 0.623 435 A CB -0.630 18.364 19.000 -0.010 0.000 0.818 435 A HN 0.499 nan 8.150 nan 0.000 0.443 436 I N -0.047 120.491 120.570 -0.052 0.000 2.286 436 I HA -0.291 3.828 4.170 -0.084 0.000 0.248 436 I C 2.228 178.341 176.117 -0.006 0.000 1.115 436 I CA 1.551 62.876 61.300 0.042 0.000 1.392 436 I CB -0.566 37.508 38.000 0.125 0.000 1.065 436 I HN 0.451 nan 8.210 nan 0.000 0.418 437 N N 0.720 119.290 118.700 -0.215 0.000 2.104 437 N HA -0.173 4.516 4.740 -0.084 0.000 0.190 437 N C 1.935 177.324 175.510 -0.201 0.000 1.024 437 N CA 1.039 53.875 53.050 -0.358 0.000 0.853 437 N CB -0.085 37.673 38.487 -1.214 0.000 1.008 437 N HN 0.263 nan 8.380 nan 0.000 0.424 438 L N 0.576 121.699 121.223 -0.168 0.000 2.005 438 L HA -0.192 4.098 4.340 -0.084 0.000 0.207 438 L C 2.653 179.486 176.870 -0.061 0.000 1.072 438 L CA 1.128 55.958 54.840 -0.018 0.000 0.744 438 L CB -0.438 41.662 42.059 0.069 0.000 0.895 438 L HN 0.165 nan 8.230 nan 0.000 0.433 439 Q N 0.206 119.893 119.800 -0.189 0.000 2.096 439 Q HA -0.261 4.028 4.340 -0.084 0.000 0.204 439 Q C 2.231 178.175 176.000 -0.092 0.000 0.982 439 Q CA 1.710 57.283 55.803 -0.382 0.000 0.850 439 Q CB -0.103 27.961 28.738 -1.122 0.000 0.901 439 Q HN 0.106 nan 8.270 nan 0.000 0.422 440 R N -0.628 119.951 120.500 0.132 0.000 2.096 440 R HA -0.109 4.181 4.340 -0.084 0.000 0.235 440 R C 2.309 178.760 176.300 0.251 0.000 1.127 440 R CA 1.653 58.051 56.100 0.495 0.000 0.968 440 R CB -1.268 29.349 30.300 0.528 0.000 0.861 440 R HN 0.499 nan 8.270 nan 0.000 0.440 441 C N 0.120 119.310 119.300 -0.185 0.000 2.425 441 C HA 0.019 4.428 4.460 -0.084 0.000 0.277 441 C C 2.441 177.298 174.990 -0.221 0.000 1.280 441 C CA 0.928 59.483 59.018 -0.771 0.000 1.744 441 C CB -0.744 26.624 27.740 -0.621 0.000 1.989 441 C HN 0.511 nan 8.230 nan 0.000 0.491 442 R N 0.259 120.776 120.500 0.030 0.000 2.093 442 R HA -0.071 4.218 4.340 -0.084 0.000 0.224 442 R C 1.908 178.340 176.300 0.220 0.000 1.101 442 R CA 1.614 57.808 56.100 0.157 0.000 0.979 442 R CB -0.480 29.983 30.300 0.271 0.000 0.877 442 R HN 0.562 nan 8.270 nan 0.000 0.441 443 D N 0.332 120.950 120.400 0.365 0.000 2.178 443 D HA -0.175 4.414 4.640 -0.084 0.000 0.201 443 D C 1.231 177.780 176.300 0.415 0.000 0.980 443 D CA 1.294 55.559 54.000 0.441 0.000 0.842 443 D CB -0.008 41.206 40.800 0.690 0.000 0.948 443 D HN 0.392 nan 8.370 nan 0.000 0.472 444 H N -1.218 117.981 119.070 0.216 0.000 2.533 444 H HA 0.234 4.739 4.556 -0.085 0.000 0.271 444 H C 1.015 176.315 175.328 -0.047 0.000 1.000 444 H CA 0.210 56.376 56.048 0.197 0.000 1.149 444 H CB 0.269 30.255 29.762 0.374 0.000 1.375 444 H HN 0.265 nan 8.280 nan 0.000 0.582 445 G N 1.855 110.510 108.800 -0.241 0.000 2.295 445 G HA2 -0.273 3.636 3.960 -0.084 0.000 0.287 445 G HA3 -0.273 3.636 3.960 -0.084 0.000 0.287 445 G C 0.227 174.972 174.900 -0.259 0.000 1.055 445 G CA -0.128 44.497 45.100 -0.792 0.000 0.922 445 G HN 0.142 nan 8.290 nan 0.000 0.503 446 M N -0.100 119.461 119.600 -0.064 0.000 2.228 446 M HA 0.237 4.666 4.480 -0.084 0.000 0.351 446 M C -1.714 174.666 176.300 0.134 0.000 1.233 446 M CA -1.919 53.430 55.300 0.081 0.000 1.129 446 M CB 0.153 32.737 32.600 -0.026 0.000 1.604 446 M HN -0.016 nan 8.290 nan 0.000 0.457 447 P HA 0.172 nan 4.420 nan 0.000 0.274 447 P C 0.250 177.617 177.300 0.111 0.000 1.237 447 P CA -0.190 62.906 63.100 -0.007 0.000 0.793 447 P CB 0.489 31.931 31.700 -0.430 0.000 0.977 448 G N 0.031 108.843 108.800 0.020 0.000 2.712 448 G HA2 -0.114 3.795 3.960 -0.084 0.000 0.258 448 G HA3 -0.114 3.795 3.960 -0.084 0.000 0.258 448 G C 0.376 175.402 174.900 0.211 0.000 1.241 448 G CA -0.046 45.103 45.100 0.082 0.000 0.923 448 G HN 0.491 nan 8.290 nan 0.000 0.548 449 Y N 0.217 120.556 120.300 0.064 0.000 2.165 449 Y HA -0.190 4.310 4.550 -0.085 0.000 0.286 449 Y C 2.603 178.578 175.900 0.124 0.000 1.155 449 Y CA 2.423 60.586 58.100 0.105 0.000 1.164 449 Y CB -0.064 38.382 38.460 -0.022 0.000 0.978 449 Y HN 0.416 nan 8.280 nan 0.000 0.513 450 N N -0.356 118.328 118.700 -0.028 0.000 2.331 450 N HA -0.130 4.559 4.740 -0.084 0.000 0.180 450 N C 1.939 177.389 175.510 -0.100 0.000 1.019 450 N CA 1.305 54.279 53.050 -0.126 0.000 0.881 450 N CB -0.300 38.173 38.487 -0.022 0.000 0.972 450 N HN 0.331 nan 8.380 nan 0.000 0.435 451 S N -0.206 115.420 115.700 -0.122 0.000 2.382 451 S HA -0.094 4.325 4.470 -0.084 0.000 0.228 451 S C 1.613 176.082 174.600 -0.217 0.000 1.027 451 S CA 0.821 58.883 58.200 -0.229 0.000 0.991 451 S CB -0.274 62.680 63.200 -0.411 0.000 0.823 451 S HN 0.508 nan 8.310 nan 0.000 0.469 452 W N 1.598 122.892 121.300 -0.009 0.000 2.476 452 W HA 0.103 4.713 4.660 -0.083 0.000 0.281 452 W C 2.541 179.078 176.519 0.029 0.000 1.230 452 W CA -0.252 57.111 57.345 0.031 0.000 1.287 452 W CB -0.029 29.420 29.460 -0.018 0.000 1.108 452 W HN 0.063 nan 8.180 nan 0.000 0.567 453 R N 0.120 120.648 120.500 0.047 0.000 2.081 453 R HA -0.073 4.217 4.340 -0.084 0.000 0.235 453 R C 2.355 178.685 176.300 0.050 0.000 1.131 453 R CA 1.572 57.642 56.100 -0.049 0.000 0.960 453 R CB -1.544 28.605 30.300 -0.252 0.000 0.856 453 R HN 0.334 nan 8.270 nan 0.000 0.436 454 G N 0.346 109.168 108.800 0.038 0.000 2.418 454 G HA2 -0.294 3.615 3.960 -0.084 0.000 0.217 454 G HA3 -0.294 3.615 3.960 -0.084 0.000 0.217 454 G C 1.391 176.357 174.900 0.110 0.000 1.158 454 G CA 0.432 45.561 45.100 0.047 0.000 0.771 454 G HN 0.308 nan 8.290 nan 0.000 0.545 455 F N 1.038 121.004 119.950 0.027 0.000 2.161 455 F HA -0.119 4.357 4.527 -0.085 0.000 0.300 455 F C 2.193 178.067 175.800 0.123 0.000 1.089 455 F CA 1.255 59.306 58.000 0.084 0.000 1.282 455 F CB -0.152 38.966 39.000 0.195 0.000 1.010 455 F HN 0.158 nan 8.300 nan 0.000 0.485 456 c N 0.854 119.603 118.600 0.248 0.000 2.626 456 c HA 0.396 4.915 4.570 -0.084 0.000 0.266 456 c C 1.655 175.817 174.090 0.120 0.000 1.317 456 c CA 0.604 57.033 56.329 0.167 0.000 1.716 456 c CB -1.408 41.240 42.510 0.230 0.000 1.819 456 c HN 0.869 nan 8.230 nan 0.000 0.578 457 G N 1.113 109.948 108.800 0.058 0.000 2.198 457 G HA2 -0.225 3.684 3.960 -0.084 0.000 0.257 457 G HA3 -0.225 3.684 3.960 -0.084 0.000 0.257 457 G C -0.269 174.660 174.900 0.048 0.000 1.042 457 G CA 0.125 45.248 45.100 0.038 0.000 0.791 457 G HN 0.531 nan 8.290 nan 0.000 0.502 458 L N 0.264 121.515 121.223 0.048 0.000 2.319 458 L HA 0.721 5.010 4.340 -0.084 0.000 0.267 458 L C 1.246 178.123 176.870 0.012 0.000 1.011 458 L CA -0.702 54.159 54.840 0.035 0.000 0.818 458 L CB 1.834 43.918 42.059 0.041 0.000 1.316 458 L HN 0.357 nan 8.230 nan 0.000 0.432 459 S N 0.290 115.999 115.700 0.014 0.000 2.566 459 S HA 0.108 4.527 4.470 -0.084 0.000 0.280 459 S C -0.307 174.291 174.600 -0.003 0.000 1.343 459 S CA -0.479 57.728 58.200 0.011 0.000 1.036 459 S CB 0.475 63.689 63.200 0.023 0.000 0.866 459 S HN 0.622 nan 8.310 nan 0.000 0.526 460 Q N 2.345 122.147 119.800 0.003 0.000 2.508 460 Q HA 0.344 4.634 4.340 -0.084 0.000 0.247 460 Q C -2.352 173.671 176.000 0.038 0.000 1.047 460 Q CA -2.035 53.769 55.803 0.001 0.000 0.783 460 Q CB 1.291 30.026 28.738 -0.006 0.000 1.172 460 Q HN 0.602 nan 8.270 nan 0.000 0.515 461 P HA -0.037 nan 4.420 nan 0.000 0.266 461 P C -0.288 177.055 177.300 0.072 0.000 1.195 461 P CA -0.022 63.124 63.100 0.077 0.000 0.768 461 P CB 1.163 32.928 31.700 0.108 0.000 0.838 462 K N 0.312 120.744 120.400 0.053 0.000 2.440 462 K HA 0.161 4.430 4.320 -0.084 0.000 0.207 462 K C 0.808 177.432 176.600 0.040 0.000 1.112 462 K CA 0.446 56.762 56.287 0.049 0.000 1.036 462 K CB 0.593 33.120 32.500 0.044 0.000 0.935 462 K HN 0.630 nan 8.250 nan 0.000 0.564 463 T N -2.078 112.496 114.554 0.034 0.000 2.887 463 T HA 0.311 4.610 4.350 -0.084 0.000 0.292 463 T C 0.985 175.695 174.700 0.017 0.000 1.087 463 T CA -0.848 61.266 62.100 0.023 0.000 1.009 463 T CB 1.510 70.391 68.868 0.022 0.000 1.203 463 T HN -0.159 nan 8.240 nan 0.000 0.518 464 L N 1.238 122.466 121.223 0.007 0.000 1.951 464 L HA -0.046 4.243 4.340 -0.084 0.000 0.222 464 L C 2.502 179.377 176.870 0.009 0.000 1.078 464 L CA 2.240 57.081 54.840 0.003 0.000 0.778 464 L CB -1.186 40.872 42.059 -0.002 0.000 0.893 464 L HN 0.890 nan 8.230 nan 0.000 0.436 465 K N -0.198 120.209 120.400 0.010 0.000 2.218 465 K HA -0.113 4.156 4.320 -0.084 0.000 0.205 465 K C 1.897 178.508 176.600 0.018 0.000 1.046 465 K CA 1.519 57.813 56.287 0.012 0.000 0.933 465 K CB -1.047 31.460 32.500 0.012 0.000 0.728 465 K HN 0.568 nan 8.250 nan 0.000 0.454 466 G N 0.330 109.144 108.800 0.023 0.000 2.414 466 G HA2 -0.210 3.700 3.960 -0.084 0.000 0.215 466 G HA3 -0.210 3.700 3.960 -0.084 0.000 0.215 466 G C 1.348 176.272 174.900 0.040 0.000 1.188 466 G CA 0.728 45.848 45.100 0.033 0.000 0.783 466 G HN 0.317 nan 8.290 nan 0.000 0.537 467 L N 0.704 121.949 121.223 0.036 0.000 2.083 467 L HA -0.006 4.283 4.340 -0.084 0.000 0.209 467 L C 2.969 179.850 176.870 0.018 0.000 1.083 467 L CA 1.748 56.607 54.840 0.033 0.000 0.752 467 L CB -0.727 41.336 42.059 0.006 0.000 0.899 467 L HN 0.348 nan 8.230 nan 0.000 0.433 468 Q N -1.416 118.390 119.800 0.011 0.000 2.061 468 Q HA -0.206 4.083 4.340 -0.084 0.000 0.204 468 Q C 1.919 177.927 176.000 0.012 0.000 0.984 468 Q CA 2.306 58.113 55.803 0.006 0.000 0.846 468 Q CB -0.489 28.252 28.738 0.005 0.000 0.902 468 Q HN 0.516 nan 8.270 nan 0.000 0.421 469 T N 0.455 115.021 114.554 0.019 0.000 2.788 469 T HA -0.108 4.191 4.350 -0.084 0.000 0.268 469 T C 2.022 176.740 174.700 0.030 0.000 1.044 469 T CA 1.272 63.385 62.100 0.022 0.000 1.139 469 T CB -0.179 68.704 68.868 0.024 0.000 0.867 469 T HN 0.046 nan 8.240 nan 0.000 0.454 470 V N 1.240 121.180 119.914 0.043 0.000 2.346 470 V HA 0.037 4.107 4.120 -0.084 0.000 0.244 470 V C 2.361 178.483 176.094 0.048 0.000 1.037 470 V CA 1.212 63.550 62.300 0.062 0.000 1.029 470 V CB -0.500 31.391 31.823 0.113 0.000 0.663 470 V HN 0.434 nan 8.190 nan 0.000 0.454 471 L N -0.680 120.559 121.223 0.027 0.000 2.478 471 L HA 0.031 4.321 4.340 -0.084 0.000 0.223 471 L C 1.051 177.919 176.870 -0.002 0.000 1.140 471 L CA 0.519 55.359 54.840 0.000 0.000 0.842 471 L CB -0.582 41.459 42.059 -0.031 0.000 0.953 471 L HN 0.361 nan 8.230 nan 0.000 0.452 472 K N 1.352 121.756 120.400 0.005 0.000 3.096 472 K HA -0.208 4.062 4.320 -0.084 0.000 0.266 472 K C -0.175 176.422 176.600 -0.004 0.000 1.043 472 K CA 0.400 56.689 56.287 0.002 0.000 0.758 472 K CB -1.383 31.119 32.500 0.002 0.000 1.260 472 K HN 0.338 nan 8.250 nan 0.000 0.481 473 N N 0.249 118.945 118.700 -0.006 0.000 2.905 473 N HA 0.098 4.788 4.740 -0.084 0.000 0.255 473 N C 0.178 175.683 175.510 -0.009 0.000 1.199 473 N CA -0.515 52.529 53.050 -0.010 0.000 0.911 473 N CB 1.070 39.547 38.487 -0.016 0.000 1.550 473 N HN -0.019 nan 8.380 nan 0.000 0.599 474 K N 2.154 122.551 120.400 -0.005 0.000 1.985 474 K HA 0.037 4.306 4.320 -0.084 0.000 0.210 474 K C 1.632 178.228 176.600 -0.006 0.000 1.047 474 K CA 1.193 57.477 56.287 -0.004 0.000 0.932 474 K CB 0.174 32.673 32.500 -0.002 0.000 0.716 474 K HN 0.527 nan 8.250 nan 0.000 0.439 475 I N 1.143 121.711 120.570 -0.004 0.000 2.264 475 I HA -0.293 3.826 4.170 -0.084 0.000 0.248 475 I C 2.407 178.521 176.117 -0.005 0.000 1.111 475 I CA 0.779 62.077 61.300 -0.003 0.000 1.382 475 I CB -0.214 37.785 38.000 -0.000 0.000 1.060 475 I HN 0.142 nan 8.210 nan 0.000 0.418 476 L N 1.017 122.234 121.223 -0.009 0.000 2.072 476 L HA -0.057 4.233 4.340 -0.084 0.000 0.205 476 L C 2.561 179.420 176.870 -0.018 0.000 1.079 476 L CA 2.000 56.832 54.840 -0.014 0.000 0.752 476 L CB -0.760 41.284 42.059 -0.025 0.000 0.906 476 L HN 0.155 nan 8.230 nan 0.000 0.436 477 A N -0.395 122.412 122.820 -0.021 0.000 1.908 477 A HA -0.282 3.987 4.320 -0.084 0.000 0.218 477 A C 2.458 180.035 177.584 -0.013 0.000 1.181 477 A CA 2.086 54.109 52.037 -0.023 0.000 0.627 477 A CB -0.642 18.348 19.000 -0.017 0.000 0.818 477 A HN 0.520 nan 8.150 nan 0.000 0.445 478 K N -0.107 120.287 120.400 -0.009 0.000 2.026 478 K HA -0.159 4.111 4.320 -0.084 0.000 0.208 478 K C 2.026 178.620 176.600 -0.009 0.000 1.048 478 K CA 1.692 57.974 56.287 -0.009 0.000 0.929 478 K CB -0.187 32.308 32.500 -0.008 0.000 0.713 478 K HN 0.443 nan 8.250 nan 0.000 0.439 479 K N 0.517 120.914 120.400 -0.004 0.000 2.063 479 K HA -0.137 4.133 4.320 -0.084 0.000 0.208 479 K C 2.155 178.760 176.600 0.009 0.000 1.048 479 K CA 1.516 57.802 56.287 -0.002 0.000 0.928 479 K CB -0.142 32.361 32.500 0.005 0.000 0.713 479 K HN 0.165 nan 8.250 nan 0.000 0.442 480 L N 0.262 121.505 121.223 0.033 0.000 2.056 480 L HA -0.155 4.134 4.340 -0.084 0.000 0.207 480 L C 2.520 179.456 176.870 0.109 0.000 1.078 480 L CA 0.705 55.612 54.840 0.112 0.000 0.749 480 L CB -0.261 41.837 42.059 0.064 0.000 0.901 480 L HN 0.236 nan 8.230 nan 0.000 0.433 481 M N -0.616 119.000 119.600 0.026 0.000 2.132 481 M HA -0.181 4.248 4.480 -0.084 0.000 0.263 481 M C 1.882 178.151 176.300 -0.051 0.000 1.065 481 M CA 1.558 56.851 55.300 -0.012 0.000 1.122 481 M CB -1.093 31.488 32.600 -0.030 0.000 1.365 481 M HN 0.198 nan 8.290 nan 0.000 0.411 482 D N 0.310 120.682 120.400 -0.046 0.000 2.182 482 D HA -0.116 4.474 4.640 -0.084 0.000 0.201 482 D C 2.231 178.470 176.300 -0.101 0.000 0.986 482 D CA 1.127 55.087 54.000 -0.067 0.000 0.847 482 D CB -0.121 40.650 40.800 -0.047 0.000 0.942 482 D HN 0.348 nan 8.370 nan 0.000 0.467 483 L N -1.087 120.065 121.223 -0.118 0.000 2.162 483 L HA -0.081 4.208 4.340 -0.084 0.000 0.205 483 L C 1.977 178.642 176.870 -0.341 0.000 1.086 483 L CA 0.691 55.379 54.840 -0.253 0.000 0.778 483 L CB -0.058 41.785 42.059 -0.360 0.000 0.928 483 L HN 0.003 nan 8.230 nan 0.000 0.446 484 Y N -0.721 119.516 120.300 -0.106 0.000 2.524 484 Y HA 0.042 4.541 4.550 -0.084 0.000 0.270 484 Y C 1.181 176.931 175.900 -0.250 0.000 1.094 484 Y CA -0.374 57.654 58.100 -0.120 0.000 1.276 484 Y CB 0.419 38.829 38.460 -0.084 0.000 1.130 484 Y HN -0.054 nan 8.280 nan 0.000 0.536 485 K N -0.134 120.146 120.400 -0.200 0.000 3.495 485 K HA -0.240 4.030 4.320 -0.084 0.000 0.315 485 K C 0.169 176.470 176.600 -0.498 0.000 1.301 485 K CA 1.441 57.411 56.287 -0.528 0.000 0.985 485 K CB -2.139 29.596 32.500 -1.276 0.000 1.244 485 K HN 0.396 nan 8.250 nan 0.000 0.433 486 T N -1.031 113.411 114.554 -0.187 0.000 3.097 486 T HA 0.417 4.716 4.350 -0.084 0.000 0.332 486 T C -2.637 172.068 174.700 0.008 0.000 1.269 486 T CA -1.172 60.904 62.100 -0.040 0.000 1.076 486 T CB 2.073 70.988 68.868 0.078 0.000 1.209 486 T HN -0.289 nan 8.240 nan 0.000 0.474 487 P HA 0.021 nan 4.420 nan 0.000 0.228 487 P C 0.773 178.118 177.300 0.075 0.000 1.151 487 P CA 0.634 63.757 63.100 0.038 0.000 0.770 487 P CB 0.193 31.956 31.700 0.104 0.000 0.786 488 D N -1.192 119.244 120.400 0.059 0.000 2.264 488 D HA -0.076 4.513 4.640 -0.084 0.000 0.208 488 D C 1.223 177.527 176.300 0.006 0.000 0.966 488 D CA 0.975 55.003 54.000 0.046 0.000 0.864 488 D CB -0.379 40.449 40.800 0.046 0.000 0.933 488 D HN 0.150 nan 8.370 nan 0.000 0.499 489 N N -0.233 118.457 118.700 -0.016 0.000 2.325 489 N HA 0.115 4.804 4.740 -0.084 0.000 0.182 489 N C 0.335 175.695 175.510 -0.250 0.000 1.088 489 N CA -0.104 52.920 53.050 -0.043 0.000 0.879 489 N CB 0.586 39.135 38.487 0.103 0.000 0.983 489 N HN 0.192 nan 8.380 nan 0.000 0.471 490 I N 2.307 122.563 120.570 -0.523 0.000 2.742 490 I HA -0.099 4.020 4.170 -0.084 0.000 0.287 490 I C 0.036 175.884 176.117 -0.447 0.000 1.186 490 I CA 0.259 60.922 61.300 -1.062 0.000 1.417 490 I CB 0.152 37.705 38.000 -0.743 0.000 1.377 490 I HN -0.056 nan 8.210 nan 0.000 0.556 491 D N 6.529 126.713 120.400 -0.361 0.000 2.493 491 D HA -0.078 4.511 4.640 -0.084 0.000 0.240 491 D C 1.209 177.528 176.300 0.032 0.000 1.142 491 D CA 0.030 54.015 54.000 -0.024 0.000 0.872 491 D CB 1.250 42.118 40.800 0.114 0.000 1.173 491 D HN 0.452 nan 8.370 nan 0.000 0.467 492 I N 3.318 123.953 120.570 0.108 0.000 2.236 492 I HA -0.251 3.868 4.170 -0.084 0.000 0.249 492 I C 1.813 177.991 176.117 0.102 0.000 1.102 492 I CA 1.345 62.727 61.300 0.136 0.000 1.365 492 I CB -0.293 37.727 38.000 0.034 0.000 1.051 492 I HN 0.634 nan 8.210 nan 0.000 0.420 493 W N 0.662 121.942 121.300 -0.034 0.000 2.333 493 W HA -0.265 4.344 4.660 -0.086 0.000 0.316 493 W C 2.378 178.920 176.519 0.038 0.000 1.215 493 W CA 2.267 59.625 57.345 0.023 0.000 1.278 493 W CB -0.655 28.837 29.460 0.055 0.000 1.154 493 W HN 0.270 nan 8.180 nan 0.000 0.486 494 I N 0.890 121.392 120.570 -0.114 0.000 2.406 494 I HA 0.089 4.208 4.170 -0.084 0.000 0.249 494 I C 2.402 178.331 176.117 -0.313 0.000 1.122 494 I CA 2.147 63.228 61.300 -0.365 0.000 1.431 494 I CB -1.135 36.841 38.000 -0.040 0.000 1.087 494 I HN 0.066 nan 8.210 nan 0.000 0.424 495 G N -0.109 108.536 108.800 -0.260 0.000 2.402 495 G HA2 -0.171 3.738 3.960 -0.084 0.000 0.216 495 G HA3 -0.171 3.738 3.960 -0.084 0.000 0.216 495 G C 1.691 176.479 174.900 -0.187 0.000 1.162 495 G CA 0.573 45.401 45.100 -0.453 0.000 0.777 495 G HN 0.535 nan 8.290 nan 0.000 0.539 496 G N 0.645 109.442 108.800 -0.004 0.000 2.408 496 G HA2 -0.180 3.730 3.960 -0.084 0.000 0.217 496 G HA3 -0.180 3.730 3.960 -0.084 0.000 0.217 496 G C 1.599 176.452 174.900 -0.078 0.000 1.150 496 G CA 0.921 46.046 45.100 0.042 0.000 0.776 496 G HN 0.526 nan 8.290 nan 0.000 0.542 497 N N 0.388 118.955 118.700 -0.221 0.000 2.467 497 N HA 0.220 4.909 4.740 -0.084 0.000 0.184 497 N C 2.028 177.428 175.510 -0.184 0.000 1.106 497 N CA 0.502 53.412 53.050 -0.233 0.000 0.892 497 N CB 0.121 38.348 38.487 -0.432 0.000 0.969 497 N HN 0.328 nan 8.380 nan 0.000 0.454 498 A N 0.486 123.196 122.820 -0.183 0.000 2.178 498 A HA 0.037 4.306 4.320 -0.084 0.000 0.211 498 A C 0.553 178.085 177.584 -0.087 0.000 1.157 498 A CA 0.225 52.176 52.037 -0.144 0.000 0.780 498 A CB 0.096 18.988 19.000 -0.181 0.000 0.828 498 A HN 0.230 nan 8.150 nan 0.000 0.476 499 E N 1.094 121.261 120.200 -0.055 0.000 2.373 499 E HA 0.238 4.538 4.350 -0.084 0.000 0.267 499 E C -2.432 174.155 176.600 -0.022 0.000 1.032 499 E CA -1.897 54.497 56.400 -0.010 0.000 0.889 499 E CB 0.131 29.854 29.700 0.040 0.000 0.984 499 E HN 0.197 nan 8.360 nan 0.000 0.425 500 P HA -0.035 nan 4.420 nan 0.000 0.269 500 P C -0.546 176.741 177.300 -0.021 0.000 1.215 500 P CA 0.310 63.400 63.100 -0.017 0.000 0.780 500 P CB 0.482 32.177 31.700 -0.009 0.000 0.898 501 M N 1.560 121.143 119.600 -0.028 0.000 2.219 501 M HA 0.115 4.544 4.480 -0.084 0.000 0.353 501 M C 0.344 176.627 176.300 -0.028 0.000 1.304 501 M CA -0.516 54.761 55.300 -0.038 0.000 1.115 501 M CB 0.344 32.919 32.600 -0.042 0.000 1.664 501 M HN 0.140 nan 8.290 nan 0.000 0.459 502 V N 0.413 120.309 119.914 -0.029 0.000 2.999 502 V HA 0.089 4.159 4.120 -0.084 0.000 0.307 502 V C 0.532 176.613 176.094 -0.021 0.000 1.084 502 V CA -0.756 61.536 62.300 -0.013 0.000 1.155 502 V CB 0.359 32.182 31.823 -0.000 0.000 0.975 502 V HN 0.929 nan 8.190 nan 0.000 0.490 503 E N 2.936 123.128 120.200 -0.014 0.000 2.502 503 E HA -0.048 4.251 4.350 -0.084 0.000 0.261 503 E C 0.890 177.473 176.600 -0.029 0.000 0.974 503 E CA 0.772 57.160 56.400 -0.020 0.000 0.936 503 E CB 0.105 29.796 29.700 -0.014 0.000 0.926 503 E HN 0.792 nan 8.360 nan 0.000 0.459 504 R N 0.696 121.172 120.500 -0.040 0.000 4.010 504 R HA -0.231 4.059 4.340 -0.084 0.000 0.409 504 R C 0.475 176.733 176.300 -0.071 0.000 1.120 504 R CA 1.149 57.217 56.100 -0.054 0.000 1.244 504 R CB -1.557 28.715 30.300 -0.046 0.000 1.799 504 R HN 0.699 nan 8.270 nan 0.000 0.559 505 G N -1.271 107.489 108.800 -0.067 0.000 2.938 505 G HA2 0.571 4.480 3.960 -0.084 0.000 0.258 505 G HA3 0.571 4.480 3.960 -0.084 0.000 0.258 505 G C 0.057 174.906 174.900 -0.084 0.000 1.356 505 G CA -0.584 44.465 45.100 -0.084 0.000 1.052 505 G HN 0.048 nan 8.290 nan 0.000 0.550 506 R N -0.518 119.925 120.500 -0.096 0.000 2.616 506 R HA 0.273 4.562 4.340 -0.084 0.000 0.427 506 R C -0.359 175.830 176.300 -0.185 0.000 1.030 506 R CA -0.008 56.055 56.100 -0.062 0.000 1.133 506 R CB 0.562 30.928 30.300 0.111 0.000 1.444 506 R HN 0.495 nan 8.270 nan 0.000 0.578 507 V N -4.236 115.535 119.914 -0.240 0.000 3.159 507 V HA 0.857 4.927 4.120 -0.084 0.000 0.308 507 V C 0.405 176.411 176.094 -0.147 0.000 1.190 507 V CA -1.100 61.031 62.300 -0.282 0.000 1.037 507 V CB 1.615 33.147 31.823 -0.485 0.000 1.060 507 V HN 0.065 nan 8.190 nan 0.000 0.437 508 G N 0.384 109.121 108.800 -0.106 0.000 2.588 508 G HA2 0.533 4.443 3.960 -0.084 0.000 0.278 508 G HA3 0.533 4.443 3.960 -0.084 0.000 0.278 508 G C -1.788 173.100 174.900 -0.021 0.000 1.307 508 G CA -0.676 44.399 45.100 -0.043 0.000 1.016 508 G HN 0.658 nan 8.290 nan 0.000 0.503 509 P HA -0.036 nan 4.420 nan 0.000 0.217 509 P C 2.100 179.431 177.300 0.050 0.000 1.151 509 P CA 0.119 63.253 63.100 0.058 0.000 0.828 509 P CB 0.117 31.862 31.700 0.076 0.000 0.788 510 L N -0.521 120.730 121.223 0.047 0.000 1.994 510 L HA -0.144 4.146 4.340 -0.084 0.000 0.208 510 L C 2.264 179.127 176.870 -0.011 0.000 1.071 510 L CA 1.882 56.748 54.840 0.043 0.000 0.745 510 L CB -1.476 40.626 42.059 0.072 0.000 0.892 510 L HN -0.150 nan 8.230 nan 0.000 0.431 511 L N -0.817 120.384 121.223 -0.037 0.000 2.046 511 L HA -0.184 4.105 4.340 -0.084 0.000 0.208 511 L C 2.682 179.476 176.870 -0.127 0.000 1.077 511 L CA 1.138 55.930 54.840 -0.080 0.000 0.747 511 L CB -1.059 40.936 42.059 -0.107 0.000 0.896 511 L HN 0.389 nan 8.230 nan 0.000 0.432 512 A N -0.472 122.272 122.820 -0.126 0.000 1.917 512 A HA -0.325 3.944 4.320 -0.084 0.000 0.219 512 A C 2.540 179.891 177.584 -0.388 0.000 1.182 512 A CA 2.097 54.047 52.037 -0.144 0.000 0.633 512 A CB -1.324 17.670 19.000 -0.009 0.000 0.819 512 A HN 0.637 nan 8.150 nan 0.000 0.448 513 c N -0.531 117.802 118.600 -0.445 0.000 2.453 513 c HA 0.007 4.527 4.570 -0.084 0.000 0.277 513 c C 2.608 176.262 174.090 -0.728 0.000 1.262 513 c CA 1.157 56.863 56.329 -1.039 0.000 1.718 513 c CB -1.556 40.709 42.510 -0.408 0.000 2.031 513 c HN 0.567 nan 8.230 nan 0.000 0.480 514 L N 0.510 121.597 121.223 -0.227 0.000 2.027 514 L HA -0.094 4.195 4.340 -0.084 0.000 0.206 514 L C 2.736 179.661 176.870 0.092 0.000 1.074 514 L CA 1.498 56.360 54.840 0.036 0.000 0.745 514 L CB -0.676 41.383 42.059 0.000 0.000 0.898 514 L HN 0.381 nan 8.230 nan 0.000 0.433 515 L N -0.450 120.792 121.223 0.033 0.000 2.027 515 L HA -0.106 4.183 4.340 -0.084 0.000 0.206 515 L C 2.754 179.726 176.870 0.170 0.000 1.074 515 L CA 1.386 56.343 54.840 0.196 0.000 0.745 515 L CB -1.331 40.818 42.059 0.150 0.000 0.898 515 L HN 0.297 nan 8.230 nan 0.000 0.433 516 G N -0.112 108.648 108.800 -0.067 0.000 2.529 516 G HA2 -0.302 3.607 3.960 -0.084 0.000 0.219 516 G HA3 -0.302 3.607 3.960 -0.084 0.000 0.219 516 G C 1.735 176.706 174.900 0.118 0.000 1.177 516 G CA 0.917 46.009 45.100 -0.014 0.000 0.773 516 G HN 0.241 nan 8.290 nan 0.000 0.573 517 R N -0.430 120.045 120.500 -0.042 0.000 2.082 517 R HA -0.136 4.154 4.340 -0.084 0.000 0.234 517 R C 2.745 179.148 176.300 0.172 0.000 1.136 517 R CA 1.836 57.996 56.100 0.100 0.000 0.935 517 R CB -0.485 29.781 30.300 -0.056 0.000 0.842 517 R HN 0.402 nan 8.270 nan 0.000 0.430 518 Q N 0.170 120.092 119.800 0.204 0.000 2.029 518 Q HA -0.201 4.089 4.340 -0.084 0.000 0.209 518 Q C 1.784 177.661 176.000 -0.205 0.000 0.999 518 Q CA 2.060 57.798 55.803 -0.108 0.000 0.857 518 Q CB -0.405 27.819 28.738 -0.857 0.000 0.926 518 Q HN 0.248 nan 8.270 nan 0.000 0.415 519 F N 0.632 120.558 119.950 -0.040 0.000 2.171 519 F HA -0.163 4.314 4.527 -0.084 0.000 0.300 519 F C 2.505 178.466 175.800 0.268 0.000 1.090 519 F CA 1.599 59.673 58.000 0.124 0.000 1.293 519 F CB -0.591 38.407 39.000 -0.003 0.000 1.013 519 F HN 0.308 nan 8.300 nan 0.000 0.486 520 Q N 0.680 120.698 119.800 0.364 0.000 2.124 520 Q HA -0.232 4.058 4.340 -0.084 0.000 0.202 520 Q C 1.906 178.011 176.000 0.174 0.000 0.977 520 Q CA 1.742 57.712 55.803 0.277 0.000 0.850 520 Q CB -0.237 28.652 28.738 0.253 0.000 0.901 520 Q HN 0.516 nan 8.270 nan 0.000 0.429 521 Q N 0.103 119.993 119.800 0.151 0.000 2.137 521 Q HA -0.093 4.196 4.340 -0.084 0.000 0.198 521 Q C 2.180 178.247 176.000 0.113 0.000 0.960 521 Q CA 1.277 57.152 55.803 0.119 0.000 0.847 521 Q CB -0.150 28.666 28.738 0.129 0.000 0.915 521 Q HN 0.544 nan 8.270 nan 0.000 0.448 522 I N -1.752 118.881 120.570 0.105 0.000 2.676 522 I HA -0.113 4.007 4.170 -0.084 0.000 0.259 522 I C 2.160 178.376 176.117 0.164 0.000 1.194 522 I CA 1.186 62.569 61.300 0.138 0.000 1.473 522 I CB -0.199 37.877 38.000 0.126 0.000 1.096 522 I HN -0.050 nan 8.210 nan 0.000 0.443 523 R N 1.096 121.591 120.500 -0.009 0.000 2.052 523 R HA -0.095 4.194 4.340 -0.084 0.000 0.224 523 R C 1.810 177.954 176.300 -0.259 0.000 1.165 523 R CA 1.680 57.457 56.100 -0.538 0.000 0.939 523 R CB -0.329 29.402 30.300 -0.947 0.000 0.834 523 R HN 0.299 nan 8.270 nan 0.000 0.435 524 D N -0.410 119.956 120.400 -0.057 0.000 2.221 524 D HA -0.109 4.481 4.640 -0.084 0.000 0.204 524 D C 1.384 177.832 176.300 0.247 0.000 0.982 524 D CA 1.456 55.525 54.000 0.115 0.000 0.857 524 D CB -0.271 40.581 40.800 0.086 0.000 0.934 524 D HN 0.550 nan 8.370 nan 0.000 0.475 525 G N -0.297 108.657 108.800 0.257 0.000 3.189 525 G HA2 -0.035 3.874 3.960 -0.084 0.000 0.225 525 G HA3 -0.035 3.874 3.960 -0.084 0.000 0.225 525 G C -0.096 175.124 174.900 0.533 0.000 1.159 525 G CA -0.276 45.058 45.100 0.390 0.000 0.763 525 G HN 0.033 nan 8.290 nan 0.000 0.549 526 D N -0.111 120.533 120.400 0.407 0.000 2.329 526 D HA 0.236 4.825 4.640 -0.084 0.000 0.232 526 D C 1.468 177.627 176.300 -0.234 0.000 1.088 526 D CA -0.729 53.435 54.000 0.273 0.000 0.835 526 D CB 1.220 42.301 40.800 0.467 0.000 1.078 526 D HN 0.044 nan 8.370 nan 0.000 0.495 527 R N 2.789 122.825 120.500 -0.773 0.000 2.189 527 R HA -0.033 4.257 4.340 -0.084 0.000 0.223 527 R C 0.566 176.334 176.300 -0.886 0.000 1.092 527 R CA 1.160 56.427 56.100 -1.389 0.000 0.989 527 R CB -0.036 29.510 30.300 -1.256 0.000 0.876 527 R HN 0.412 nan 8.270 nan 0.000 0.457 528 F N -0.415 119.394 119.950 -0.234 0.000 2.668 528 F HA 0.175 4.648 4.527 -0.089 0.000 0.297 528 F C 0.270 176.129 175.800 0.099 0.000 1.124 528 F CA -0.837 57.111 58.000 -0.088 0.000 1.353 528 F CB 0.020 38.944 39.000 -0.126 0.000 0.992 528 F HN 0.090 nan 8.300 nan 0.000 0.524 529 W N 3.221 124.550 121.300 0.048 0.000 2.295 529 W HA -0.134 4.495 4.660 -0.050 0.000 0.335 529 W C 1.363 177.965 176.519 0.139 0.000 1.351 529 W CA -0.558 56.832 57.345 0.074 0.000 1.273 529 W CB 0.445 29.839 29.460 -0.109 0.000 1.214 529 W HN 0.530 nan 8.180 nan 0.000 0.563 530 W N 4.706 125.759 121.300 -0.411 0.000 2.321 530 W HA -0.254 4.402 4.660 -0.007 0.000 0.306 530 W C 1.006 177.555 176.519 0.050 0.000 1.217 530 W CA 1.766 59.084 57.345 -0.044 0.000 1.257 530 W CB -0.868 28.424 29.460 -0.280 0.000 1.145 530 W HN 0.541 nan 8.180 nan 0.000 0.509 531 E N 1.367 120.676 120.200 -1.485 0.000 2.489 531 E HA -0.103 4.197 4.350 -0.084 0.000 0.193 531 E C 0.238 176.859 176.600 0.035 0.000 1.057 531 E CA -0.250 55.530 56.400 -1.034 0.000 0.866 531 E CB -0.329 28.594 29.700 -1.296 0.000 0.916 531 E HN 0.079 nan 8.360 nan 0.000 0.500 532 N N 1.806 120.672 118.700 0.278 0.000 2.475 532 N HA 0.051 4.741 4.740 -0.084 0.000 0.267 532 N C -2.648 172.956 175.510 0.156 0.000 1.169 532 N CA -1.683 51.604 53.050 0.394 0.000 0.947 532 N CB 0.845 39.550 38.487 0.364 0.000 1.061 532 N HN -0.200 nan 8.380 nan 0.000 0.466 533 P HA 0.036 nan 4.420 nan 0.000 0.261 533 P C 0.678 177.992 177.300 0.023 0.000 1.165 533 P CA 1.052 64.178 63.100 0.043 0.000 0.759 533 P CB 0.342 32.051 31.700 0.015 0.000 0.772 534 G N 1.175 109.984 108.800 0.014 0.000 2.199 534 G HA2 -0.300 3.610 3.960 -0.084 0.000 0.254 534 G HA3 -0.300 3.610 3.960 -0.084 0.000 0.254 534 G C 0.933 175.805 174.900 -0.046 0.000 0.982 534 G CA 0.253 45.342 45.100 -0.019 0.000 0.632 534 G HN 0.422 nan 8.290 nan 0.000 0.529 535 V N -0.570 119.332 119.914 -0.020 0.000 2.379 535 V HA 0.384 4.453 4.120 -0.084 0.000 0.243 535 V C 1.398 177.361 176.094 -0.218 0.000 1.035 535 V CA 1.803 64.047 62.300 -0.094 0.000 1.035 535 V CB -0.308 31.512 31.823 -0.004 0.000 0.673 535 V HN 0.283 nan 8.190 nan 0.000 0.457 536 F N -0.439 119.543 119.950 0.054 0.000 2.631 536 F HA 0.514 5.025 4.527 -0.027 0.000 0.350 536 F C 0.781 176.564 175.800 -0.029 0.000 1.080 536 F CA -0.593 57.428 58.000 0.035 0.000 1.026 536 F CB 1.287 40.354 39.000 0.111 0.000 1.347 536 F HN -0.078 nan 8.300 nan 0.000 0.501 537 T N -2.309 112.319 114.554 0.124 0.000 2.918 537 T HA 0.216 4.515 4.350 -0.084 0.000 0.283 537 T C 0.763 175.485 174.700 0.037 0.000 1.001 537 T CA -0.643 61.470 62.100 0.021 0.000 1.041 537 T CB 1.242 70.072 68.868 -0.063 0.000 1.028 537 T HN 0.578 nan 8.240 nan 0.000 0.511 538 E N 0.802 121.016 120.200 0.024 0.000 2.130 538 E HA -0.170 4.130 4.350 -0.084 0.000 0.196 538 E C 1.947 178.562 176.600 0.025 0.000 0.998 538 E CA 1.320 57.739 56.400 0.031 0.000 0.806 538 E CB -0.020 29.694 29.700 0.022 0.000 0.738 538 E HN 0.659 nan 8.360 nan 0.000 0.459 539 K N 0.525 120.920 120.400 -0.009 0.000 2.103 539 K HA -0.084 4.185 4.320 -0.084 0.000 0.204 539 K C 2.250 178.821 176.600 -0.049 0.000 1.052 539 K CA 0.651 56.928 56.287 -0.017 0.000 0.945 539 K CB -0.091 32.392 32.500 -0.029 0.000 0.722 539 K HN 0.175 nan 8.250 nan 0.000 0.443 540 Q N 0.497 120.196 119.800 -0.168 0.000 2.124 540 Q HA -0.094 4.195 4.340 -0.084 0.000 0.202 540 Q C 2.072 178.067 176.000 -0.009 0.000 0.977 540 Q CA 1.171 56.766 55.803 -0.348 0.000 0.850 540 Q CB -0.045 28.281 28.738 -0.686 0.000 0.901 540 Q HN 0.214 nan 8.270 nan 0.000 0.429 541 R N 0.591 121.126 120.500 0.058 0.000 2.152 541 R HA -0.127 4.162 4.340 -0.084 0.000 0.232 541 R C 1.314 177.738 176.300 0.207 0.000 1.117 541 R CA 1.154 57.365 56.100 0.186 0.000 0.981 541 R CB -0.038 30.369 30.300 0.178 0.000 0.870 541 R HN 0.370 nan 8.270 nan 0.000 0.451 542 D N -0.442 120.037 120.400 0.131 0.000 2.249 542 D HA -0.007 4.582 4.640 -0.084 0.000 0.205 542 D C 1.581 177.949 176.300 0.113 0.000 0.962 542 D CA 0.810 54.882 54.000 0.120 0.000 0.860 542 D CB 0.240 41.092 40.800 0.086 0.000 0.955 542 D HN 0.057 nan 8.370 nan 0.000 0.505 543 S N 0.646 116.428 115.700 0.136 0.000 2.387 543 S HA 0.007 4.426 4.470 -0.084 0.000 0.226 543 S C 2.232 176.899 174.600 0.112 0.000 1.026 543 S CA 0.322 58.619 58.200 0.163 0.000 0.972 543 S CB 0.048 63.443 63.200 0.325 0.000 0.814 543 S HN 0.212 nan 8.310 nan 0.000 0.477 544 L N 1.280 122.560 121.223 0.096 0.000 2.093 544 L HA -0.103 4.187 4.340 -0.084 0.000 0.208 544 L C 2.600 179.386 176.870 -0.140 0.000 1.085 544 L CA 1.003 55.797 54.840 -0.078 0.000 0.755 544 L CB -0.520 41.397 42.059 -0.236 0.000 0.904 544 L HN 0.256 nan 8.230 nan 0.000 0.435 545 Q N 0.911 120.695 119.800 -0.027 0.000 2.389 545 Q HA -0.221 4.068 4.340 -0.084 0.000 0.213 545 Q C 1.658 177.652 176.000 -0.010 0.000 0.989 545 Q CA 1.588 57.398 55.803 0.012 0.000 0.891 545 Q CB -0.097 28.715 28.738 0.122 0.000 0.923 545 Q HN 0.374 nan 8.270 nan 0.000 0.455 546 K N -0.621 119.771 120.400 -0.013 0.000 2.367 546 K HA 0.117 4.386 4.320 -0.084 0.000 0.194 546 K C 0.160 176.746 176.600 -0.023 0.000 1.027 546 K CA 0.390 56.673 56.287 -0.008 0.000 1.075 546 K CB 0.461 32.965 32.500 0.008 0.000 0.845 546 K HN 0.171 nan 8.250 nan 0.000 0.529 547 V N 0.740 120.631 119.914 -0.038 0.000 2.901 547 V HA 0.100 4.169 4.120 -0.084 0.000 0.307 547 V C 0.045 176.136 176.094 -0.005 0.000 1.084 547 V CA -0.534 61.773 62.300 0.011 0.000 1.184 547 V CB 0.941 32.824 31.823 0.100 0.000 0.941 547 V HN 0.220 nan 8.190 nan 0.000 0.493 548 S N 2.480 118.208 115.700 0.046 0.000 2.556 548 S HA 0.571 4.990 4.470 -0.084 0.000 0.271 548 S C -0.194 174.444 174.600 0.063 0.000 1.135 548 S CA -0.503 57.701 58.200 0.006 0.000 0.858 548 S CB 1.474 64.656 63.200 -0.029 0.000 1.114 548 S HN 0.756 nan 8.310 nan 0.000 0.468 549 F N 2.060 121.935 119.950 -0.126 0.000 2.234 549 F HA -0.025 4.465 4.527 -0.062 0.000 0.299 549 F C 2.385 178.122 175.800 -0.104 0.000 1.087 549 F CA 1.839 59.774 58.000 -0.109 0.000 1.340 549 F CB -0.256 38.507 39.000 -0.395 0.000 1.031 549 F HN 0.678 nan 8.300 nan 0.000 0.500 550 S N 0.379 116.113 115.700 0.057 0.000 2.359 550 S HA -0.298 4.122 4.470 -0.084 0.000 0.222 550 S C 1.950 176.521 174.600 -0.048 0.000 1.038 550 S CA 1.618 59.819 58.200 0.002 0.000 1.051 550 S CB -0.515 62.645 63.200 -0.067 0.000 0.944 550 S HN 0.291 nan 8.310 nan 0.000 0.433 551 R N 1.360 121.819 120.500 -0.068 0.000 2.103 551 R HA -0.075 4.214 4.340 -0.084 0.000 0.242 551 R C 2.179 178.379 176.300 -0.165 0.000 1.142 551 R CA 1.328 57.371 56.100 -0.094 0.000 0.960 551 R CB -1.050 29.203 30.300 -0.079 0.000 0.858 551 R HN 0.415 nan 8.270 nan 0.000 0.439 552 L N 0.054 121.123 121.223 -0.257 0.000 2.079 552 L HA -0.101 4.188 4.340 -0.084 0.000 0.210 552 L C 2.007 178.681 176.870 -0.326 0.000 1.081 552 L CA 1.767 56.351 54.840 -0.427 0.000 0.752 552 L CB -0.249 41.375 42.059 -0.725 0.000 0.896 552 L HN 0.319 nan 8.230 nan 0.000 0.433 553 I N -1.690 118.741 120.570 -0.232 0.000 2.202 553 I HA -0.321 3.798 4.170 -0.084 0.000 0.242 553 I C 2.473 178.544 176.117 -0.077 0.000 1.091 553 I CA 1.163 62.399 61.300 -0.107 0.000 1.368 553 I CB -0.540 37.478 38.000 0.030 0.000 1.058 553 I HN 0.372 nan 8.210 nan 0.000 0.410 554 c N 0.879 119.443 118.600 -0.061 0.000 2.413 554 c HA -0.183 4.336 4.570 -0.084 0.000 0.276 554 c C 2.344 176.398 174.090 -0.060 0.000 1.236 554 c CA 0.894 57.201 56.329 -0.036 0.000 1.735 554 c CB -1.047 41.445 42.510 -0.030 0.000 2.031 554 c HN 0.517 nan 8.230 nan 0.000 0.474 555 D N 0.379 120.716 120.400 -0.106 0.000 2.269 555 D HA -0.034 4.555 4.640 -0.084 0.000 0.208 555 D C 1.168 177.390 176.300 -0.130 0.000 0.963 555 D CA 0.972 54.901 54.000 -0.118 0.000 0.864 555 D CB -0.408 40.294 40.800 -0.162 0.000 0.936 555 D HN 0.565 nan 8.370 nan 0.000 0.505 556 N N -0.136 118.473 118.700 -0.151 0.000 2.299 556 N HA 0.056 4.746 4.740 -0.084 0.000 0.246 556 N C -0.003 175.400 175.510 -0.178 0.000 1.254 556 N CA 0.143 53.094 53.050 -0.166 0.000 0.879 556 N CB 1.654 40.026 38.487 -0.193 0.000 1.214 556 N HN 0.199 nan 8.380 nan 0.000 0.510 557 T N -3.280 111.175 114.554 -0.166 0.000 2.618 557 T HA 0.334 4.634 4.350 -0.084 0.000 0.293 557 T C -0.473 174.122 174.700 -0.175 0.000 1.093 557 T CA -0.492 61.479 62.100 -0.216 0.000 1.061 557 T CB 1.519 70.317 68.868 -0.117 0.000 1.498 557 T HN 0.093 nan 8.240 nan 0.000 0.494 558 H N -0.497 118.535 119.070 -0.063 0.000 2.507 558 H HA 0.533 5.039 4.556 -0.084 0.000 0.281 558 H C -0.492 174.806 175.328 -0.050 0.000 1.160 558 H CA -0.492 55.520 56.048 -0.060 0.000 0.981 558 H CB -0.019 29.693 29.762 -0.083 0.000 1.665 558 H HN 0.273 nan 8.280 nan 0.000 0.554 559 I N 0.928 121.544 120.570 0.076 0.000 2.460 559 I HA 0.140 4.259 4.170 -0.084 0.000 0.298 559 I C 0.843 177.016 176.117 0.093 0.000 0.989 559 I CA -0.264 61.081 61.300 0.074 0.000 1.173 559 I CB 2.022 40.070 38.000 0.080 0.000 1.338 559 I HN 0.266 nan 8.210 nan 0.000 0.456 560 T N 0.056 114.680 114.554 0.116 0.000 3.058 560 T HA 0.278 4.578 4.350 -0.084 0.000 0.278 560 T C 0.295 175.089 174.700 0.156 0.000 0.974 560 T CA -0.353 61.811 62.100 0.108 0.000 0.893 560 T CB 0.010 68.925 68.868 0.078 0.000 1.138 560 T HN 0.407 nan 8.240 nan 0.000 0.529 561 K N 2.399 122.946 120.400 0.246 0.000 2.464 561 K HA 0.641 4.911 4.320 -0.084 0.000 0.252 561 K C -0.844 176.073 176.600 0.529 0.000 1.000 561 K CA -0.713 55.793 56.287 0.365 0.000 0.951 561 K CB 2.200 34.956 32.500 0.426 0.000 1.183 561 K HN 0.294 nan 8.250 nan 0.000 0.445 562 V N -0.158 119.956 119.914 0.333 0.000 3.078 562 V HA 0.664 4.734 4.120 -0.084 0.000 0.311 562 V C -2.747 173.167 176.094 -0.299 0.000 1.138 562 V CA -2.684 59.680 62.300 0.108 0.000 1.007 562 V CB 1.967 33.825 31.823 0.058 0.000 1.045 562 V HN 0.457 nan 8.190 nan 0.000 0.432 563 P HA 0.380 nan 4.420 nan 0.000 0.277 563 P C 0.443 177.507 177.300 -0.393 0.000 1.271 563 P CA -0.371 62.335 63.100 -0.658 0.000 0.795 563 P CB 1.660 32.916 31.700 -0.739 0.000 1.101 564 L N -0.492 120.472 121.223 -0.431 0.000 2.249 564 L HA 0.065 4.355 4.340 -0.084 0.000 0.207 564 L C 1.013 177.521 176.870 -0.604 0.000 1.090 564 L CA 0.856 55.380 54.840 -0.526 0.000 0.802 564 L CB -0.449 41.196 42.059 -0.690 0.000 0.947 564 L HN 0.393 nan 8.230 nan 0.000 0.453 565 H N -0.457 118.514 119.070 -0.165 0.000 2.632 565 H HA 0.351 4.856 4.556 -0.086 0.000 0.258 565 H C 0.898 176.109 175.328 -0.196 0.000 1.278 565 H CA -0.135 55.827 56.048 -0.143 0.000 1.352 565 H CB 1.180 30.885 29.762 -0.094 0.000 1.418 565 H HN 0.047 nan 8.280 nan 0.000 0.513 566 A N 2.472 125.162 122.820 -0.216 0.000 1.948 566 A HA -0.200 4.069 4.320 -0.084 0.000 0.220 566 A C 1.306 178.689 177.584 -0.335 0.000 1.177 566 A CA 1.365 53.183 52.037 -0.365 0.000 0.636 566 A CB -0.517 18.146 19.000 -0.563 0.000 0.815 566 A HN 0.393 nan 8.150 nan 0.000 0.449 567 F N 0.121 120.050 119.950 -0.035 0.000 2.710 567 F HA 0.095 4.571 4.527 -0.086 0.000 0.298 567 F C 1.450 177.229 175.800 -0.036 0.000 1.137 567 F CA 0.519 58.528 58.000 0.015 0.000 1.444 567 F CB -0.392 38.669 39.000 0.101 0.000 1.111 567 F HN 0.490 nan 8.300 nan 0.000 0.580 568 Q N 0.674 120.528 119.800 0.090 0.000 2.227 568 Q HA 0.653 4.942 4.340 -0.084 0.000 0.245 568 Q C -0.142 175.862 176.000 0.007 0.000 0.926 568 Q CA -0.905 54.905 55.803 0.010 0.000 0.895 568 Q CB 1.424 30.155 28.738 -0.012 0.000 1.230 568 Q HN 0.083 nan 8.270 nan 0.000 0.450 569 A N 2.819 125.639 122.820 0.001 0.000 2.566 569 A HA 0.102 4.372 4.320 -0.084 0.000 0.245 569 A C -0.775 176.821 177.584 0.019 0.000 1.056 569 A CA 0.132 52.185 52.037 0.027 0.000 0.757 569 A CB -0.744 18.271 19.000 0.025 0.000 0.979 569 A HN 0.841 nan 8.150 nan 0.000 0.508 570 N N 2.133 120.860 118.700 0.046 0.000 2.295 570 N HA 0.365 5.054 4.740 -0.084 0.000 0.293 570 N C -1.422 174.226 175.510 0.230 0.000 1.040 570 N CA -0.747 52.326 53.050 0.039 0.000 0.840 570 N CB 1.589 39.981 38.487 -0.157 0.000 1.468 570 N HN 0.684 nan 8.380 nan 0.000 0.478 571 N N 1.320 120.166 118.700 0.245 0.000 2.361 571 N HA 0.206 4.895 4.740 -0.084 0.000 0.302 571 N C -1.456 174.249 175.510 0.325 0.000 1.074 571 N CA -0.358 52.858 53.050 0.277 0.000 0.850 571 N CB 1.819 40.403 38.487 0.162 0.000 1.228 571 N HN 0.490 nan 8.380 nan 0.000 0.491 572 Y N 2.660 122.904 120.300 -0.093 0.000 2.320 572 Y HA 0.378 4.876 4.550 -0.086 0.000 0.324 572 Y C -1.250 174.565 175.900 -0.141 0.000 1.190 572 Y CA -1.260 56.576 58.100 -0.440 0.000 1.215 572 Y CB 1.116 38.883 38.460 -1.155 0.000 1.221 572 Y HN 0.478 nan 8.280 nan 0.000 0.486 573 P HA 0.012 nan 4.420 nan 0.000 0.251 573 P C 0.875 177.975 177.300 -0.333 0.000 1.223 573 P CA 0.778 63.089 63.100 -1.314 0.000 0.796 573 P CB 0.180 31.060 31.700 -1.366 0.000 1.068 574 H N 2.125 121.078 119.070 -0.195 0.000 2.265 574 H HA -0.131 4.376 4.556 -0.083 0.000 0.295 574 H C 0.849 176.182 175.328 0.010 0.000 1.084 574 H CA 1.956 57.965 56.048 -0.065 0.000 1.261 574 H CB -0.622 29.122 29.762 -0.030 0.000 1.360 574 H HN 0.009 nan 8.280 nan 0.000 0.487 575 D N -0.447 119.939 120.400 -0.023 0.000 2.324 575 D HA -0.006 4.584 4.640 -0.084 0.000 0.235 575 D C -0.344 175.856 176.300 -0.168 0.000 1.095 575 D CA 0.170 54.057 54.000 -0.188 0.000 0.871 575 D CB -0.206 40.476 40.800 -0.195 0.000 0.906 575 D HN 0.146 nan 8.370 nan 0.000 0.522 576 F N 0.589 120.449 119.950 -0.150 0.000 2.458 576 F HA 0.337 4.816 4.527 -0.081 0.000 0.330 576 F C 0.675 176.430 175.800 -0.074 0.000 1.082 576 F CA -1.201 56.739 58.000 -0.100 0.000 0.995 576 F CB 1.559 40.528 39.000 -0.053 0.000 1.170 576 F HN -0.292 nan 8.300 nan 0.000 0.478 577 V N -1.599 118.373 119.914 0.097 0.000 3.167 577 V HA 0.594 4.664 4.120 -0.084 0.000 0.310 577 V C -1.209 174.936 176.094 0.084 0.000 1.207 577 V CA -0.937 61.396 62.300 0.055 0.000 1.059 577 V CB 1.929 33.741 31.823 -0.018 0.000 1.079 577 V HN 0.609 nan 8.190 nan 0.000 0.446 578 D N 0.142 120.576 120.400 0.057 0.000 2.308 578 D HA 0.272 4.861 4.640 -0.084 0.000 0.251 578 D C 1.115 177.435 176.300 0.033 0.000 1.127 578 D CA 0.016 54.052 54.000 0.060 0.000 0.876 578 D CB 1.687 42.515 40.800 0.046 0.000 1.176 578 D HN 0.770 nan 8.370 nan 0.000 0.446 579 c N 2.053 120.677 118.600 0.040 0.000 2.397 579 c HA -0.158 4.361 4.570 -0.084 0.000 0.282 579 c C 2.578 176.668 174.090 -0.000 0.000 1.252 579 c CA 0.997 57.336 56.329 0.016 0.000 1.811 579 c CB -0.955 41.568 42.510 0.021 0.000 2.027 579 c HN 0.617 nan 8.230 nan 0.000 0.503 580 S N 0.008 115.711 115.700 0.005 0.000 2.447 580 S HA -0.121 4.298 4.470 -0.084 0.000 0.233 580 S C 1.642 176.238 174.600 -0.007 0.000 1.006 580 S CA 1.598 59.797 58.200 -0.001 0.000 0.957 580 S CB -0.467 62.735 63.200 0.003 0.000 0.773 580 S HN 0.902 nan 8.310 nan 0.000 0.507 581 T N -0.242 114.307 114.554 -0.008 0.000 3.312 581 T HA 0.388 4.688 4.350 -0.084 0.000 0.251 581 T C -0.027 174.657 174.700 -0.027 0.000 1.012 581 T CA -0.273 61.818 62.100 -0.015 0.000 0.925 581 T CB -0.349 68.510 68.868 -0.014 0.000 1.049 581 T HN -0.012 nan 8.240 nan 0.000 0.583 582 V N 1.789 121.686 119.914 -0.028 0.000 2.483 582 V HA 0.289 4.358 4.120 -0.084 0.000 0.297 582 V C -0.413 175.661 176.094 -0.033 0.000 1.027 582 V CA -1.213 61.063 62.300 -0.039 0.000 0.855 582 V CB 1.668 33.465 31.823 -0.045 0.000 0.995 582 V HN 0.438 nan 8.190 nan 0.000 0.424 583 D N 4.571 124.953 120.400 -0.031 0.000 2.581 583 D HA 0.042 4.631 4.640 -0.084 0.000 0.238 583 D C 0.248 176.530 176.300 -0.030 0.000 1.145 583 D CA 0.845 54.832 54.000 -0.023 0.000 0.866 583 D CB 0.841 41.632 40.800 -0.015 0.000 1.151 583 D HN 0.442 nan 8.370 nan 0.000 0.500 584 K N 1.104 121.487 120.400 -0.028 0.000 2.209 584 K HA 0.395 4.665 4.320 -0.084 0.000 0.238 584 K C -0.157 176.419 176.600 -0.039 0.000 1.028 584 K CA -0.944 55.317 56.287 -0.042 0.000 0.935 584 K CB 0.812 33.288 32.500 -0.040 0.000 1.162 584 K HN 0.157 nan 8.250 nan 0.000 0.485 585 L N 1.989 123.174 121.223 -0.064 0.000 2.264 585 L HA 0.185 4.474 4.340 -0.084 0.000 0.287 585 L C -1.008 175.833 176.870 -0.047 0.000 1.039 585 L CA -0.234 54.567 54.840 -0.065 0.000 0.829 585 L CB 0.506 42.486 42.059 -0.132 0.000 1.211 585 L HN 0.414 nan 8.230 nan 0.000 0.427 586 D N 4.009 124.421 120.400 0.019 0.000 2.339 586 D HA 0.117 4.706 4.640 -0.084 0.000 0.256 586 D C 0.680 177.060 176.300 0.133 0.000 1.214 586 D CA 0.275 54.310 54.000 0.059 0.000 0.877 586 D CB 0.733 41.582 40.800 0.082 0.000 1.111 586 D HN 0.641 nan 8.370 nan 0.000 0.478 587 L N 2.802 124.072 121.223 0.079 0.000 2.592 587 L HA 0.036 4.326 4.340 -0.084 0.000 0.227 587 L C 2.105 179.186 176.870 0.351 0.000 1.127 587 L CA -0.098 54.831 54.840 0.149 0.000 0.884 587 L CB -0.055 41.940 42.059 -0.108 0.000 1.065 587 L HN 0.347 nan 8.230 nan 0.000 0.457 588 S N 1.245 117.079 115.700 0.224 0.000 2.381 588 S HA -0.159 4.260 4.470 -0.084 0.000 0.230 588 S C -0.692 174.032 174.600 0.206 0.000 1.052 588 S CA 1.622 59.922 58.200 0.166 0.000 1.068 588 S CB -1.247 62.014 63.200 0.102 0.000 0.918 588 S HN 0.357 nan 8.310 nan 0.000 0.448 589 P HA -0.023 nan 4.420 nan 0.000 0.239 589 P C 0.517 177.785 177.300 -0.054 0.000 1.184 589 P CA 0.633 63.750 63.100 0.028 0.000 0.760 589 P CB -0.166 31.457 31.700 -0.129 0.000 0.884 590 W N -0.260 121.092 121.300 0.087 0.000 3.077 590 W HA 0.364 5.002 4.660 -0.037 0.000 0.266 590 W C 0.689 177.222 176.519 0.024 0.000 1.300 590 W CA -0.369 57.055 57.345 0.131 0.000 1.586 590 W CB -0.024 29.518 29.460 0.136 0.000 1.103 590 W HN -0.128 nan 8.180 nan 0.000 0.652 591 A N 1.477 124.378 122.820 0.135 0.000 2.511 591 A HA 0.228 4.497 4.320 -0.084 0.000 0.242 591 A C 0.582 178.207 177.584 0.069 0.000 1.069 591 A CA 0.453 52.495 52.037 0.009 0.000 0.763 591 A CB 0.082 19.095 19.000 0.021 0.000 1.001 591 A HN 0.115 nan 8.150 nan 0.000 0.498 592 S N 2.455 118.206 115.700 0.085 0.000 2.399 592 S HA 0.412 4.832 4.470 -0.084 0.000 0.215 592 S C -0.294 174.414 174.600 0.180 0.000 1.456 592 S CA -0.703 57.626 58.200 0.215 0.000 1.199 592 S CB 0.453 63.935 63.200 0.470 0.000 1.063 592 S HN 0.789 nan 8.310 nan 0.000 0.476 593 R N 2.502 123.059 120.500 0.095 0.000 2.248 593 R HA 0.194 4.484 4.340 -0.084 0.000 0.328 593 R C 0.446 176.775 176.300 0.048 0.000 1.067 593 R CA 0.006 56.134 56.100 0.047 0.000 0.924 593 R CB 0.332 30.647 30.300 0.024 0.000 1.013 593 R HN 0.873 nan 8.270 nan 0.000 0.454 594 E N 3.474 123.692 120.200 0.029 0.000 2.887 594 E HA 0.129 4.428 4.350 -0.084 0.000 0.206 594 E C -0.760 175.844 176.600 0.007 0.000 0.983 594 E CA -0.545 55.875 56.400 0.033 0.000 1.141 594 E CB 0.272 30.009 29.700 0.062 0.000 1.061 594 E HN 0.587 nan 8.360 nan 0.000 0.468 595 N N 0.000 118.696 118.700 -0.007 0.000 1.763 595 N HA 0.000 4.689 4.740 -0.084 0.000 0.220 595 N CA 0.000 53.043 53.050 -0.012 0.000 0.885 595 N CB 0.000 38.470 38.487 -0.028 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667