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 3n8f_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVTcDEQSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLAVPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SSEHSKVQcE EYcVQGDEcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLARDQI NAVTSFLDAS LVYGSEPXLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYPPFN NVKPSPcEFI NTTAHVPcFQ DATA SEQUENCE AGDSRASEQI LLATVHTLLL REHNRLAREL KRLNPHWDGE MLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKNSKLMNQN KMVTSELRNK LFQPTHKVHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQAV LKNKVLAKKL LDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS AVDKLDLSPW ASREN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.585 174.600 -0.025 0.000 1.055 1 S CA 0.000 58.229 58.200 0.049 0.000 1.107 1 S CB 0.000 63.166 63.200 -0.057 0.000 0.593 2 W N 2.582 123.890 121.300 0.012 0.000 2.375 2 W HA 0.782 5.098 4.660 -0.574 0.000 0.336 2 W C 1.022 177.544 176.519 0.003 0.000 1.160 2 W CA -0.422 56.930 57.345 0.012 0.000 1.266 2 W CB 0.516 29.986 29.460 0.016 0.000 1.195 2 W HN 0.030 nan 8.180 nan 0.000 0.599 3 E N 1.041 121.362 120.200 0.202 0.000 2.715 3 E HA 0.118 4.124 4.350 -0.573 0.000 0.224 3 E C -0.511 176.134 176.600 0.074 0.000 0.962 3 E CA -0.002 56.457 56.400 0.099 0.000 1.145 3 E CB 1.047 30.766 29.700 0.031 0.000 1.083 3 E HN 0.189 nan 8.360 nan 0.000 0.506 4 V N 0.325 120.301 119.914 0.103 0.000 2.454 4 V HA 0.388 4.165 4.120 -0.573 0.000 0.255 4 V C 0.823 177.040 176.094 0.204 0.000 1.009 4 V CA 0.642 63.058 62.300 0.194 0.000 1.149 4 V CB 0.360 32.272 31.823 0.147 0.000 1.418 4 V HN 0.431 nan 8.190 nan 0.000 0.567 5 G N 1.211 110.108 108.800 0.163 0.000 2.213 5 G HA2 -0.293 3.323 3.960 -0.573 0.000 0.236 5 G HA3 -0.293 3.323 3.960 -0.573 0.000 0.236 5 G C 0.803 175.743 174.900 0.066 0.000 0.991 5 G CA 0.030 45.206 45.100 0.128 0.000 0.629 5 G HN 0.974 nan 8.290 nan 0.000 0.517 6 c N -1.405 117.223 118.600 0.047 0.000 0.168 6 c HA 0.336 4.562 4.570 -0.573 0.000 0.017 6 c C 2.025 176.122 174.090 0.012 0.000 0.171 6 c CA 2.674 59.009 56.329 0.011 0.000 0.499 6 c CB -0.858 41.638 42.510 -0.024 0.000 3.212 6 c HN 3.012 nan 8.230 nan 0.000 1.118 7 G N -0.307 108.488 108.800 -0.009 0.000 3.322 7 G HA2 0.472 4.089 3.960 -0.573 0.000 0.686 7 G HA3 0.472 4.089 3.960 -0.573 0.000 0.686 7 G C -0.888 174.009 174.900 -0.006 0.000 1.015 7 G CA 0.354 45.450 45.100 -0.007 0.000 0.826 7 G HN 2.525 nan 8.290 nan 0.000 0.538 8 A N 4.800 127.610 122.820 -0.017 0.000 2.319 8 A HA 0.975 4.952 4.320 -0.573 0.000 0.310 8 A C -0.832 176.747 177.584 -0.009 0.000 1.152 8 A CA -0.227 51.804 52.037 -0.010 0.000 0.783 8 A CB 1.936 20.927 19.000 -0.015 0.000 1.184 8 A HN 1.009 nan 8.150 nan 0.000 0.474 9 P HA 0.394 nan 4.420 nan 0.000 0.287 9 P C -0.814 176.495 177.300 0.015 0.000 1.221 9 P CA -0.151 62.955 63.100 0.010 0.000 0.743 9 P CB 0.245 31.959 31.700 0.023 0.000 1.910 10 V N 3.028 122.957 119.914 0.024 0.000 2.387 10 V HA 0.143 3.919 4.120 -0.573 0.000 0.260 10 V C -1.460 174.649 176.094 0.025 0.000 1.054 10 V CA -1.519 60.796 62.300 0.026 0.000 0.967 10 V CB 0.469 32.313 31.823 0.035 0.000 1.036 10 V HN 0.264 nan 8.190 nan 0.000 0.481 11 P HA -0.049 nan 4.420 nan 0.000 0.218 11 P C -0.349 176.963 177.300 0.021 0.000 1.148 11 P CA 1.068 64.178 63.100 0.018 0.000 0.822 11 P CB 0.129 31.837 31.700 0.013 0.000 0.784 12 L N -1.035 120.201 121.223 0.022 0.000 2.427 12 L HA 0.304 4.301 4.340 -0.573 0.000 0.264 12 L C -0.988 175.898 176.870 0.027 0.000 0.989 12 L CA -0.255 54.599 54.840 0.023 0.000 0.865 12 L CB 2.168 44.238 42.059 0.019 0.000 1.209 12 L HN -0.389 nan 8.230 nan 0.000 0.430 13 V N 1.599 121.533 119.914 0.033 0.000 2.488 13 V HA 0.574 4.350 4.120 -0.573 0.000 0.293 13 V C -0.192 175.926 176.094 0.039 0.000 1.027 13 V CA -0.365 61.957 62.300 0.037 0.000 0.862 13 V CB 1.951 33.801 31.823 0.045 0.000 1.008 13 V HN 0.646 nan 8.190 nan 0.000 0.428 14 T N 3.177 117.752 114.554 0.035 0.000 2.912 14 T HA 0.465 4.471 4.350 -0.573 0.000 0.288 14 T C -0.054 174.668 174.700 0.036 0.000 1.030 14 T CA -0.331 61.790 62.100 0.035 0.000 1.020 14 T CB 1.562 70.448 68.868 0.028 0.000 1.056 14 T HN 0.685 nan 8.240 nan 0.000 0.480 15 c N 1.909 120.532 118.600 0.039 0.000 2.520 15 c HA 0.501 4.728 4.570 -0.573 0.000 0.376 15 c C 0.605 174.717 174.090 0.037 0.000 1.268 15 c CA -0.703 55.651 56.329 0.043 0.000 2.414 15 c CB 0.168 42.706 42.510 0.048 0.000 2.521 15 c HN 0.790 nan 8.230 nan 0.000 0.618 16 D N 0.294 120.718 120.400 0.040 0.000 2.256 16 D HA 0.216 4.513 4.640 -0.573 0.000 0.240 16 D C 0.485 176.804 176.300 0.033 0.000 1.062 16 D CA -0.197 53.824 54.000 0.034 0.000 0.832 16 D CB 1.169 41.992 40.800 0.038 0.000 1.135 16 D HN 0.548 nan 8.370 nan 0.000 0.484 17 E N 1.703 121.915 120.200 0.020 0.000 2.107 17 E HA -0.075 3.931 4.350 -0.573 0.000 0.191 17 E C 0.653 177.252 176.600 -0.002 0.000 0.982 17 E CA 1.157 57.563 56.400 0.011 0.000 0.809 17 E CB 0.209 29.911 29.700 0.005 0.000 0.756 17 E HN 0.502 nan 8.360 nan 0.000 0.459 18 Q N -0.011 119.786 119.800 -0.005 0.000 2.141 18 Q HA 0.190 4.186 4.340 -0.573 0.000 0.248 18 Q C -0.772 175.206 176.000 -0.037 0.000 0.834 18 Q CA -0.255 55.532 55.803 -0.026 0.000 1.096 18 Q CB 1.280 30.003 28.738 -0.025 0.000 1.189 18 Q HN 0.061 nan 8.270 nan 0.000 0.471 19 S N -0.062 115.626 115.700 -0.020 0.000 2.489 19 S HA 0.455 4.582 4.470 -0.573 0.000 0.291 19 S C -1.911 172.633 174.600 -0.094 0.000 1.151 19 S CA -1.277 56.895 58.200 -0.046 0.000 1.082 19 S CB 1.217 64.437 63.200 0.034 0.000 1.019 19 S HN 0.001 nan 8.310 nan 0.000 0.492 20 P HA 0.213 nan 4.420 nan 0.000 0.255 20 P C -1.136 175.960 177.300 -0.340 0.000 1.301 20 P CA 0.074 62.961 63.100 -0.355 0.000 0.817 20 P CB -0.377 30.978 31.700 -0.575 0.000 1.259 21 Y N 0.167 120.469 120.300 0.004 0.000 2.393 21 Y HA 0.412 4.618 4.550 -0.574 0.000 0.341 21 Y C 1.206 176.837 175.900 -0.448 0.000 0.988 21 Y CA -1.321 56.657 58.100 -0.203 0.000 1.078 21 Y CB 1.301 39.676 38.460 -0.142 0.000 1.203 21 Y HN -0.262 nan 8.280 nan 0.000 0.453 22 R N 0.634 120.756 120.500 -0.629 0.000 2.756 22 R HA 0.223 4.219 4.340 -0.573 0.000 0.264 22 R C 0.322 176.470 176.300 -0.254 0.000 1.026 22 R CA 0.014 55.704 56.100 -0.683 0.000 1.121 22 R CB 0.080 30.023 30.300 -0.595 0.000 0.999 22 R HN 0.763 nan 8.270 nan 0.000 0.449 23 T N -1.125 113.333 114.554 -0.160 0.000 2.816 23 T HA 0.190 4.197 4.350 -0.573 0.000 0.282 23 T C 1.489 176.179 174.700 -0.016 0.000 0.993 23 T CA -0.907 61.167 62.100 -0.043 0.000 0.994 23 T CB 0.691 69.563 68.868 0.007 0.000 1.025 23 T HN 0.304 nan 8.240 nan 0.000 0.529 24 I N 1.349 121.937 120.570 0.031 0.000 2.406 24 I HA -0.086 3.740 4.170 -0.573 0.000 0.249 24 I C 2.953 179.125 176.117 0.093 0.000 1.122 24 I CA 1.697 63.037 61.300 0.068 0.000 1.431 24 I CB -1.788 36.264 38.000 0.085 0.000 1.087 24 I HN 0.960 nan 8.210 nan 0.000 0.424 25 T N -1.302 113.304 114.554 0.086 0.000 2.915 25 T HA 0.004 4.010 4.350 -0.573 0.000 0.269 25 T C 1.683 176.473 174.700 0.149 0.000 1.071 25 T CA 1.204 63.367 62.100 0.104 0.000 1.132 25 T CB -0.325 68.595 68.868 0.086 0.000 0.878 25 T HN 0.491 nan 8.240 nan 0.000 0.479 26 G N 1.144 110.037 108.800 0.155 0.000 2.159 26 G HA2 -0.172 3.445 3.960 -0.573 0.000 0.227 26 G HA3 -0.172 3.445 3.960 -0.573 0.000 0.227 26 G C -0.329 174.726 174.900 0.260 0.000 0.986 26 G CA -0.015 45.245 45.100 0.267 0.000 0.651 26 G HN 0.597 nan 8.290 nan 0.000 0.523 27 D N -0.681 119.814 120.400 0.159 0.000 2.357 27 D HA 0.412 4.709 4.640 -0.573 0.000 0.242 27 D C 1.575 177.945 176.300 0.115 0.000 1.153 27 D CA 0.740 54.824 54.000 0.140 0.000 0.918 27 D CB 0.867 41.728 40.800 0.101 0.000 1.181 27 D HN 0.742 nan 8.370 nan 0.000 0.435 28 c N 0.753 119.426 118.600 0.122 0.000 4.392 28 c HA -0.162 4.064 4.570 -0.573 0.000 0.280 28 c C 1.966 176.143 174.090 0.144 0.000 1.381 28 c CA 0.105 56.502 56.329 0.114 0.000 1.871 28 c CB -2.604 39.959 42.510 0.089 0.000 1.323 28 c HN 0.768 nan 8.230 nan 0.000 0.772 29 N N 1.830 120.622 118.700 0.154 0.000 2.109 29 N HA -0.096 4.301 4.740 -0.573 0.000 0.188 29 N C 0.493 176.101 175.510 0.164 0.000 1.034 29 N CA 1.442 54.583 53.050 0.153 0.000 0.846 29 N CB -0.109 38.352 38.487 -0.042 0.000 1.010 29 N HN 0.744 nan 8.380 nan 0.000 0.425 30 N N 1.048 119.876 118.700 0.213 0.000 2.434 30 N HA 0.107 4.503 4.740 -0.573 0.000 0.272 30 N C 0.802 176.398 175.510 0.142 0.000 1.040 30 N CA -0.059 53.116 53.050 0.208 0.000 0.956 30 N CB 0.886 39.508 38.487 0.226 0.000 1.108 30 N HN 0.145 nan 8.380 nan 0.000 0.481 31 R N 2.534 123.104 120.500 0.115 0.000 2.057 31 R HA -0.023 3.973 4.340 -0.573 0.000 0.229 31 R C 1.932 178.274 176.300 0.070 0.000 1.136 31 R CA 0.849 56.996 56.100 0.078 0.000 0.952 31 R CB -0.117 30.216 30.300 0.056 0.000 0.848 31 R HN 0.588 nan 8.270 nan 0.000 0.430 32 R N 0.548 121.090 120.500 0.070 0.000 2.103 32 R HA -0.093 3.903 4.340 -0.573 0.000 0.234 32 R C 0.524 176.855 176.300 0.053 0.000 1.132 32 R CA 1.770 57.901 56.100 0.051 0.000 0.925 32 R CB -0.285 30.041 30.300 0.043 0.000 0.842 32 R HN 0.035 nan 8.270 nan 0.000 0.430 33 S N 0.365 116.107 115.700 0.070 0.000 2.475 33 S HA 0.325 4.452 4.470 -0.573 0.000 0.249 33 S C -2.140 172.520 174.600 0.100 0.000 1.298 33 S CA -1.774 56.470 58.200 0.072 0.000 1.125 33 S CB 1.582 64.822 63.200 0.067 0.000 1.054 33 S HN 0.161 nan 8.310 nan 0.000 0.484 34 P HA 0.031 nan 4.420 nan 0.000 0.225 34 P C 0.934 178.307 177.300 0.123 0.000 1.148 34 P CA 0.615 63.779 63.100 0.106 0.000 0.779 34 P CB 0.185 31.933 31.700 0.080 0.000 0.780 35 A N -1.358 121.529 122.820 0.112 0.000 2.147 35 A HA 0.086 4.062 4.320 -0.573 0.000 0.211 35 A C 0.902 178.569 177.584 0.138 0.000 1.160 35 A CA -0.030 52.077 52.037 0.116 0.000 0.781 35 A CB -0.874 18.180 19.000 0.090 0.000 0.842 35 A HN 0.117 nan 8.150 nan 0.000 0.475 36 L N 0.812 122.125 121.223 0.151 0.000 2.500 36 L HA 0.429 4.425 4.340 -0.573 0.000 0.272 36 L C 1.261 178.255 176.870 0.207 0.000 1.149 36 L CA 1.636 56.568 54.840 0.154 0.000 0.897 36 L CB 0.200 42.353 42.059 0.157 0.000 1.178 36 L HN 0.618 nan 8.230 nan 0.000 0.473 37 G N 2.498 111.353 108.800 0.091 0.000 2.179 37 G HA2 -0.143 3.473 3.960 -0.573 0.000 0.220 37 G HA3 -0.143 3.473 3.960 -0.573 0.000 0.220 37 G C 0.391 175.289 174.900 -0.003 0.000 0.990 37 G CA 0.109 45.145 45.100 -0.107 0.000 0.646 37 G HN 1.047 nan 8.290 nan 0.000 0.517 38 A N -0.111 122.779 122.820 0.117 0.000 2.336 38 A HA 0.975 4.952 4.320 -0.573 0.000 0.278 38 A C 0.825 178.463 177.584 0.090 0.000 1.371 38 A CA 0.890 53.016 52.037 0.148 0.000 0.842 38 A CB 0.443 19.524 19.000 0.135 0.000 1.363 38 A HN 2.085 nan 8.150 nan 0.000 0.517 39 A N -1.301 121.575 122.820 0.095 0.000 2.354 39 A HA 0.624 4.601 4.320 -0.573 0.000 0.321 39 A C 0.039 177.659 177.584 0.059 0.000 1.125 39 A CA -0.540 51.544 52.037 0.078 0.000 0.799 39 A CB 0.410 19.468 19.000 0.096 0.000 1.293 39 A HN 1.068 nan 8.150 nan 0.000 0.452 40 N N 0.166 118.893 118.700 0.046 0.000 2.727 40 N HA -0.130 4.266 4.740 -0.573 0.000 0.251 40 N C -0.490 175.030 175.510 0.016 0.000 1.040 40 N CA 1.361 54.424 53.050 0.022 0.000 0.712 40 N CB -0.723 37.775 38.487 0.019 0.000 0.912 40 N HN 0.764 nan 8.380 nan 0.000 0.545 41 R N -0.646 119.866 120.500 0.020 0.000 2.831 41 R HA 0.695 4.692 4.340 -0.573 0.000 0.266 41 R C -0.447 175.868 176.300 0.025 0.000 1.051 41 R CA -0.563 55.552 56.100 0.024 0.000 0.943 41 R CB 0.873 31.197 30.300 0.040 0.000 1.228 41 R HN 0.150 nan 8.270 nan 0.000 0.467 42 A N 1.609 124.450 122.820 0.034 0.000 2.540 42 A HA 0.207 4.183 4.320 -0.573 0.000 0.239 42 A C 0.166 177.776 177.584 0.042 0.000 1.061 42 A CA -0.042 52.020 52.037 0.042 0.000 0.758 42 A CB -0.133 18.896 19.000 0.049 0.000 0.991 42 A HN 0.503 nan 8.150 nan 0.000 0.502 43 L N 1.585 122.836 121.223 0.048 0.000 2.461 43 L HA 0.346 4.343 4.340 -0.573 0.000 0.272 43 L C 1.095 177.978 176.870 0.023 0.000 1.197 43 L CA -0.142 54.718 54.840 0.033 0.000 0.836 43 L CB 0.499 42.595 42.059 0.062 0.000 1.105 43 L HN 0.825 nan 8.230 nan 0.000 0.477 44 A N 3.928 126.742 122.820 -0.011 0.000 2.351 44 A HA 0.477 4.454 4.320 -0.573 0.000 0.257 44 A C -0.128 177.437 177.584 -0.033 0.000 1.087 44 A CA -0.454 51.592 52.037 0.015 0.000 0.798 44 A CB 0.309 19.348 19.000 0.065 0.000 1.033 44 A HN 0.653 nan 8.150 nan 0.000 0.488 45 R N 1.779 122.315 120.500 0.060 0.000 2.310 45 R HA 0.118 4.114 4.340 -0.573 0.000 0.316 45 R C -0.384 176.068 176.300 0.254 0.000 1.004 45 R CA -0.390 55.760 56.100 0.083 0.000 0.900 45 R CB 0.673 31.005 30.300 0.052 0.000 1.152 45 R HN 0.950 nan 8.270 nan 0.000 0.513 46 W N 2.007 123.377 121.300 0.116 0.000 2.519 46 W HA 0.106 4.425 4.660 -0.568 0.000 0.266 46 W C 0.476 177.021 176.519 0.044 0.000 1.253 46 W CA 0.261 57.675 57.345 0.116 0.000 1.274 46 W CB -0.083 29.377 29.460 -0.001 0.000 1.114 46 W HN 0.258 nan 8.180 nan 0.000 0.596 47 L N -0.233 121.085 121.223 0.158 0.000 2.445 47 L HA 0.329 4.325 4.340 -0.573 0.000 0.262 47 L C -2.190 174.656 176.870 -0.040 0.000 0.974 47 L CA -2.080 52.721 54.840 -0.064 0.000 0.822 47 L CB 2.221 43.985 42.059 -0.492 0.000 1.339 47 L HN -0.511 nan 8.230 nan 0.000 0.409 48 P HA 0.062 nan 4.420 nan 0.000 0.265 48 P C -0.508 176.748 177.300 -0.074 0.000 1.187 48 P CA -0.129 62.935 63.100 -0.058 0.000 0.766 48 P CB 0.555 32.219 31.700 -0.059 0.000 0.820 49 A N 2.859 125.630 122.820 -0.082 0.000 2.507 49 A HA 0.074 4.050 4.320 -0.573 0.000 0.235 49 A C 0.190 177.649 177.584 -0.207 0.000 1.070 49 A CA 0.157 52.081 52.037 -0.188 0.000 0.768 49 A CB -0.117 18.754 19.000 -0.214 0.000 1.011 49 A HN 0.585 nan 8.150 nan 0.000 0.502 50 E N 0.780 120.792 120.200 -0.313 0.000 2.437 50 E HA 0.367 4.373 4.350 -0.573 0.000 0.238 50 E C -1.721 174.784 176.600 -0.158 0.000 0.969 50 E CA -0.034 56.316 56.400 -0.085 0.000 0.759 50 E CB 0.914 30.670 29.700 0.092 0.000 1.283 50 E HN 0.614 nan 8.360 nan 0.000 0.416 51 Y N 0.530 120.781 120.300 -0.081 0.000 2.534 51 Y HA 0.145 4.350 4.550 -0.574 0.000 0.329 51 Y C 1.650 177.086 175.900 -0.772 0.000 1.154 51 Y CA -0.878 56.979 58.100 -0.406 0.000 1.192 51 Y CB 1.107 39.395 38.460 -0.287 0.000 1.275 51 Y HN 0.401 nan 8.280 nan 0.000 0.491 52 E N 0.663 120.371 120.200 -0.820 0.000 2.006 52 E HA -0.207 3.800 4.350 -0.573 0.000 0.192 52 E C 1.031 177.459 176.600 -0.286 0.000 0.993 52 E CA 1.693 57.651 56.400 -0.736 0.000 0.808 52 E CB -0.092 29.295 29.700 -0.521 0.000 0.764 52 E HN 0.880 nan 8.360 nan 0.000 0.449 53 D N -1.217 119.034 120.400 -0.248 0.000 2.363 53 D HA -0.011 4.286 4.640 -0.573 0.000 0.226 53 D C 1.237 177.465 176.300 -0.120 0.000 1.020 53 D CA 1.089 54.986 54.000 -0.171 0.000 0.892 53 D CB 0.385 41.054 40.800 -0.219 0.000 0.900 53 D HN 0.487 nan 8.370 nan 0.000 0.531 54 G N 0.026 108.772 108.800 -0.091 0.000 2.234 54 G HA2 -0.282 3.334 3.960 -0.573 0.000 0.235 54 G HA3 -0.282 3.334 3.960 -0.573 0.000 0.235 54 G C 0.904 175.826 174.900 0.035 0.000 0.997 54 G CA 0.385 45.477 45.100 -0.014 0.000 0.623 54 G HN 0.435 nan 8.290 nan 0.000 0.514 55 L N -1.795 119.392 121.223 -0.060 0.000 2.806 55 L HA 0.740 4.737 4.340 -0.573 0.000 0.242 55 L C 2.120 178.675 176.870 -0.525 0.000 1.068 55 L CA 1.062 55.837 54.840 -0.108 0.000 0.923 55 L CB 0.293 42.270 42.059 -0.137 0.000 1.364 55 L HN 0.492 nan 8.230 nan 0.000 0.511 56 A N -0.884 121.426 122.820 -0.850 0.000 2.533 56 A HA 0.388 4.364 4.320 -0.573 0.000 0.180 56 A C 0.267 177.135 177.584 -1.193 0.000 1.566 56 A CA 0.059 51.371 52.037 -1.208 0.000 1.153 56 A CB 0.629 19.194 19.000 -0.725 0.000 1.462 56 A HN -0.059 nan 8.150 nan 0.000 0.523 57 V N 3.249 122.645 119.914 -0.863 0.000 2.461 57 V HA 0.329 4.106 4.120 -0.573 0.000 0.275 57 V C -2.578 173.249 176.094 -0.444 0.000 1.047 57 V CA -1.633 60.205 62.300 -0.770 0.000 0.955 57 V CB 1.124 32.502 31.823 -0.742 0.000 0.988 57 V HN 0.219 nan 8.190 nan 0.000 0.471 58 P HA 0.211 nan 4.420 nan 0.000 0.275 58 P C -0.393 176.899 177.300 -0.013 0.000 1.227 58 P CA -0.403 62.673 63.100 -0.040 0.000 0.781 58 P CB 0.330 32.012 31.700 -0.030 0.000 0.906 59 F N 1.894 121.937 119.950 0.155 0.000 2.602 59 F HA 0.232 4.415 4.527 -0.575 0.000 0.385 59 F C 1.869 177.782 175.800 0.188 0.000 1.063 59 F CA 1.726 59.816 58.000 0.150 0.000 1.233 59 F CB -0.380 38.702 39.000 0.137 0.000 1.067 59 F HN 0.668 nan 8.300 nan 0.000 0.564 60 G N 3.171 112.193 108.800 0.370 0.000 2.142 60 G HA2 -0.323 3.293 3.960 -0.573 0.000 0.225 60 G HA3 -0.323 3.293 3.960 -0.573 0.000 0.225 60 G C 0.291 175.333 174.900 0.238 0.000 1.015 60 G CA 0.204 45.474 45.100 0.285 0.000 0.716 60 G HN 0.847 nan 8.290 nan 0.000 0.508 61 W N 1.026 122.286 121.300 -0.068 0.000 2.560 61 W HA 0.273 4.589 4.660 -0.575 0.000 0.303 61 W C 1.951 178.413 176.519 -0.094 0.000 1.151 61 W CA 2.276 59.494 57.345 -0.211 0.000 1.426 61 W CB -0.167 29.069 29.460 -0.373 0.000 1.135 61 W HN 0.560 nan 8.180 nan 0.000 0.522 62 T N -0.654 114.019 114.554 0.198 0.000 2.849 62 T HA 0.116 4.123 4.350 -0.573 0.000 0.284 62 T C 0.800 175.521 174.700 0.036 0.000 1.004 62 T CA -0.437 61.701 62.100 0.064 0.000 1.021 62 T CB 1.510 70.461 68.868 0.139 0.000 1.013 62 T HN 0.066 nan 8.240 nan 0.000 0.527 63 Q N 0.915 120.716 119.800 0.001 0.000 2.061 63 Q HA -0.040 3.957 4.340 -0.573 0.000 0.195 63 Q C 2.607 178.631 176.000 0.039 0.000 0.967 63 Q CA 1.366 57.176 55.803 0.012 0.000 0.829 63 Q CB -0.408 28.322 28.738 -0.013 0.000 0.900 63 Q HN 0.901 nan 8.270 nan 0.000 0.450 64 R N 1.120 121.642 120.500 0.036 0.000 2.152 64 R HA -0.001 3.995 4.340 -0.573 0.000 0.232 64 R C 0.371 176.706 176.300 0.058 0.000 1.117 64 R CA 0.701 56.824 56.100 0.040 0.000 0.981 64 R CB -0.096 30.221 30.300 0.029 0.000 0.870 64 R HN 0.015 nan 8.270 nan 0.000 0.451 65 K N 1.539 121.987 120.400 0.080 0.000 2.098 65 K HA 0.177 4.153 4.320 -0.573 0.000 0.257 65 K C -0.311 176.377 176.600 0.146 0.000 0.999 65 K CA -0.043 56.308 56.287 0.107 0.000 0.924 65 K CB 1.619 34.189 32.500 0.115 0.000 1.028 65 K HN 0.217 nan 8.250 nan 0.000 0.466 66 T N -1.634 113.016 114.554 0.160 0.000 2.912 66 T HA 0.291 4.297 4.350 -0.573 0.000 0.299 66 T C -0.583 174.219 174.700 0.170 0.000 1.052 66 T CA -1.058 61.132 62.100 0.151 0.000 0.996 66 T CB 1.656 70.561 68.868 0.061 0.000 1.070 66 T HN 0.520 nan 8.240 nan 0.000 0.465 67 R N 2.348 122.878 120.500 0.050 0.000 2.210 67 R HA 0.205 4.201 4.340 -0.573 0.000 0.338 67 R C -0.280 175.952 176.300 -0.114 0.000 1.062 67 R CA -0.116 55.815 56.100 -0.282 0.000 0.902 67 R CB -0.211 29.577 30.300 -0.853 0.000 1.050 67 R HN 0.818 nan 8.270 nan 0.000 0.461 68 N N 3.358 122.001 118.700 -0.094 0.000 2.740 68 N HA -0.198 4.199 4.740 -0.573 0.000 0.248 68 N C 0.568 175.942 175.510 -0.227 0.000 1.062 68 N CA 1.406 54.405 53.050 -0.085 0.000 0.704 68 N CB -1.404 37.070 38.487 -0.021 0.000 0.968 68 N HN 1.045 nan 8.380 nan 0.000 0.547 69 G N -2.388 106.257 108.800 -0.257 0.000 2.179 69 G HA2 -0.305 3.312 3.960 -0.573 0.000 0.260 69 G HA3 -0.305 3.312 3.960 -0.573 0.000 0.260 69 G C -0.210 174.308 174.900 -0.636 0.000 0.977 69 G CA 0.485 45.295 45.100 -0.484 0.000 0.641 69 G HN 0.396 nan 8.290 nan 0.000 0.533 70 F N -0.281 119.681 119.950 0.021 0.000 2.576 70 F HA 0.642 4.825 4.527 -0.573 0.000 0.313 70 F C 0.506 176.327 175.800 0.036 0.000 1.078 70 F CA -1.452 56.564 58.000 0.027 0.000 0.921 70 F CB 1.464 40.480 39.000 0.027 0.000 1.232 70 F HN 0.027 nan 8.300 nan 0.000 0.459 71 R N 2.392 123.039 120.500 0.246 0.000 2.370 71 R HA 0.417 4.413 4.340 -0.573 0.000 0.309 71 R C -0.684 175.698 176.300 0.137 0.000 1.059 71 R CA -0.364 55.831 56.100 0.158 0.000 0.981 71 R CB 0.385 30.753 30.300 0.113 0.000 0.972 71 R HN 0.635 nan 8.270 nan 0.000 0.437 72 V N 3.838 123.836 119.914 0.140 0.000 2.655 72 V HA 0.279 4.056 4.120 -0.573 0.000 0.300 72 V C -1.894 174.229 176.094 0.048 0.000 1.044 72 V CA -1.538 60.836 62.300 0.123 0.000 1.095 72 V CB 0.415 32.346 31.823 0.180 0.000 0.952 72 V HN 0.724 nan 8.190 nan 0.000 0.485 73 P HA 0.394 nan 4.420 nan 0.000 0.278 73 P C -0.230 177.024 177.300 -0.075 0.000 1.238 73 P CA -0.670 62.352 63.100 -0.131 0.000 0.794 73 P CB 0.933 32.430 31.700 -0.339 0.000 0.955 74 L N 1.589 122.780 121.223 -0.054 0.000 2.485 74 L HA 0.026 4.023 4.340 -0.573 0.000 0.275 74 L C 1.984 178.824 176.870 -0.050 0.000 1.207 74 L CA -0.214 54.602 54.840 -0.041 0.000 0.855 74 L CB 0.121 42.157 42.059 -0.039 0.000 1.114 74 L HN 0.490 nan 8.230 nan 0.000 0.485 75 A N 3.176 125.958 122.820 -0.064 0.000 1.877 75 A HA -0.209 3.767 4.320 -0.573 0.000 0.216 75 A C 2.266 179.837 177.584 -0.022 0.000 1.186 75 A CA 1.725 53.730 52.037 -0.053 0.000 0.620 75 A CB -0.376 18.541 19.000 -0.138 0.000 0.822 75 A HN 0.856 nan 8.150 nan 0.000 0.443 76 R N 0.203 120.686 120.500 -0.029 0.000 2.148 76 R HA -0.086 3.910 4.340 -0.573 0.000 0.227 76 R C 1.956 178.283 176.300 0.043 0.000 1.103 76 R CA 1.935 58.054 56.100 0.031 0.000 0.983 76 R CB -0.456 29.892 30.300 0.080 0.000 0.874 76 R HN 0.708 nan 8.270 nan 0.000 0.451 77 E N -0.624 119.585 120.200 0.016 0.000 2.046 77 E HA -0.103 3.904 4.350 -0.573 0.000 0.190 77 E C 1.728 178.328 176.600 0.000 0.000 0.982 77 E CA 1.246 57.649 56.400 0.005 0.000 0.800 77 E CB 0.124 29.813 29.700 -0.019 0.000 0.756 77 E HN 0.188 nan 8.360 nan 0.000 0.449 78 V N 0.921 120.825 119.914 -0.016 0.000 2.282 78 V HA -0.304 3.473 4.120 -0.573 0.000 0.249 78 V C 2.492 178.638 176.094 0.085 0.000 1.057 78 V CA 2.010 64.314 62.300 0.008 0.000 1.032 78 V CB -0.779 31.061 31.823 0.029 0.000 0.645 78 V HN 0.294 nan 8.190 nan 0.000 0.447 79 S N 0.312 116.071 115.700 0.099 0.000 2.354 79 S HA -0.266 3.860 4.470 -0.573 0.000 0.219 79 S C 1.989 176.647 174.600 0.096 0.000 1.035 79 S CA 1.998 60.274 58.200 0.127 0.000 1.037 79 S CB -0.569 62.694 63.200 0.105 0.000 0.956 79 S HN 0.650 nan 8.310 nan 0.000 0.428 80 N N 1.026 119.765 118.700 0.065 0.000 2.184 80 N HA -0.108 4.288 4.740 -0.573 0.000 0.190 80 N C 1.562 177.099 175.510 0.046 0.000 1.011 80 N CA 1.300 54.378 53.050 0.046 0.000 0.867 80 N CB -0.245 38.260 38.487 0.029 0.000 0.993 80 N HN 0.552 nan 8.380 nan 0.000 0.433 81 K N -1.165 119.263 120.400 0.046 0.000 2.348 81 K HA 0.219 4.196 4.320 -0.573 0.000 0.194 81 K C 1.148 177.780 176.600 0.053 0.000 1.052 81 K CA 0.142 56.452 56.287 0.037 0.000 1.004 81 K CB 0.724 33.233 32.500 0.015 0.000 0.873 81 K HN 0.012 nan 8.250 nan 0.000 0.523 82 I N -0.805 119.810 120.570 0.075 0.000 3.443 82 I HA -0.080 3.747 4.170 -0.573 0.000 0.277 82 I C 1.728 177.910 176.117 0.108 0.000 1.169 82 I CA 0.347 61.698 61.300 0.084 0.000 1.419 82 I CB 0.326 38.380 38.000 0.090 0.000 1.331 82 I HN -0.222 nan 8.210 nan 0.000 0.458 83 V N 0.724 120.724 119.914 0.143 0.000 2.239 83 V HA 0.038 3.815 4.120 -0.573 0.000 0.242 83 V C 1.586 177.807 176.094 0.212 0.000 1.038 83 V CA 1.402 63.814 62.300 0.186 0.000 1.002 83 V CB -1.457 30.520 31.823 0.258 0.000 0.641 83 V HN 0.409 nan 8.190 nan 0.000 0.449 84 G N -0.497 108.406 108.800 0.171 0.000 2.667 84 G HA2 0.355 3.972 3.960 -0.573 0.000 0.250 84 G HA3 0.355 3.972 3.960 -0.573 0.000 0.250 84 G C -0.866 174.161 174.900 0.212 0.000 1.212 84 G CA 0.421 45.603 45.100 0.137 0.000 0.874 84 G HN 0.662 nan 8.290 nan 0.000 0.561 85 Y N -2.164 118.173 120.300 0.061 0.000 2.558 85 Y HA 0.518 4.722 4.550 -0.577 0.000 0.333 85 Y C 0.044 175.972 175.900 0.047 0.000 1.125 85 Y CA -1.231 56.899 58.100 0.051 0.000 1.039 85 Y CB 0.812 39.303 38.460 0.053 0.000 1.331 85 Y HN 0.284 nan 8.280 nan 0.000 0.456 86 L N 0.529 121.842 121.223 0.151 0.000 2.130 86 L HA 0.085 4.081 4.340 -0.573 0.000 0.200 86 L C 0.312 177.274 176.870 0.154 0.000 1.075 86 L CA 0.835 55.718 54.840 0.072 0.000 0.768 86 L CB 0.090 42.186 42.059 0.062 0.000 0.933 86 L HN 0.689 nan 8.230 nan 0.000 0.451 87 D N 0.568 121.119 120.400 0.253 0.000 2.336 87 D HA -0.003 4.293 4.640 -0.573 0.000 0.249 87 D C 0.885 177.376 176.300 0.318 0.000 1.213 87 D CA 0.158 54.286 54.000 0.214 0.000 0.870 87 D CB 1.148 42.027 40.800 0.133 0.000 1.076 87 D HN 0.045 nan 8.370 nan 0.000 0.483 88 E N 2.015 122.377 120.200 0.270 0.000 2.285 88 E HA -0.116 3.891 4.350 -0.573 0.000 0.194 88 E C 0.212 176.907 176.600 0.158 0.000 0.997 88 E CA 0.329 56.909 56.400 0.299 0.000 0.845 88 E CB 0.130 29.959 29.700 0.215 0.000 0.782 88 E HN 0.496 nan 8.360 nan 0.000 0.491 89 E N 0.579 120.845 120.200 0.110 0.000 2.493 89 E HA 0.135 4.141 4.350 -0.573 0.000 0.255 89 E C 0.338 176.965 176.600 0.044 0.000 0.999 89 E CA 0.821 57.263 56.400 0.070 0.000 0.934 89 E CB -0.116 29.618 29.700 0.057 0.000 0.940 89 E HN 0.299 nan 8.360 nan 0.000 0.473 90 G N 3.057 111.880 108.800 0.039 0.000 2.289 90 G HA2 -0.212 3.404 3.960 -0.573 0.000 0.280 90 G HA3 -0.212 3.404 3.960 -0.573 0.000 0.280 90 G C 0.538 175.439 174.900 0.001 0.000 1.089 90 G CA 0.324 45.436 45.100 0.022 0.000 0.939 90 G HN 0.940 nan 8.290 nan 0.000 0.499 91 V N -2.787 117.132 119.914 0.008 0.000 3.523 91 V HA 0.499 4.275 4.120 -0.573 0.000 0.255 91 V C 1.546 177.656 176.094 0.026 0.000 1.226 91 V CA 0.455 62.745 62.300 -0.016 0.000 1.092 91 V CB -0.138 31.650 31.823 -0.059 0.000 0.817 91 V HN 0.404 nan 8.190 nan 0.000 0.458 92 L N 3.007 124.260 121.223 0.050 0.000 2.601 92 L HA 0.117 4.113 4.340 -0.573 0.000 0.277 92 L C 0.535 177.440 176.870 0.060 0.000 1.219 92 L CA 0.514 55.394 54.840 0.068 0.000 0.915 92 L CB -0.285 41.817 42.059 0.071 0.000 1.160 92 L HN 0.242 nan 8.230 nan 0.000 0.494 93 D N 3.249 123.695 120.400 0.076 0.000 2.450 93 D HA -0.058 4.238 4.640 -0.573 0.000 0.247 93 D C 0.679 177.005 176.300 0.044 0.000 1.162 93 D CA 0.067 54.104 54.000 0.061 0.000 0.879 93 D CB 1.105 41.957 40.800 0.086 0.000 1.163 93 D HN 0.472 nan 8.370 nan 0.000 0.472 94 Q N 2.548 122.362 119.800 0.023 0.000 2.444 94 Q HA -0.033 3.963 4.340 -0.573 0.000 0.206 94 Q C 0.469 176.472 176.000 0.006 0.000 0.948 94 Q CA 0.413 56.227 55.803 0.018 0.000 0.946 94 Q CB 0.259 29.004 28.738 0.011 0.000 1.027 94 Q HN 0.399 nan 8.270 nan 0.000 0.513 95 N N 0.361 119.052 118.700 -0.015 0.000 2.240 95 N HA 0.056 4.452 4.740 -0.573 0.000 0.240 95 N C -1.057 174.409 175.510 -0.073 0.000 1.277 95 N CA 0.035 53.061 53.050 -0.040 0.000 0.873 95 N CB 0.678 39.128 38.487 -0.061 0.000 1.222 95 N HN -0.106 nan 8.380 nan 0.000 0.507 96 R N 0.585 121.061 120.500 -0.041 0.000 2.533 96 R HA 0.321 4.318 4.340 -0.573 0.000 0.288 96 R C -0.325 176.034 176.300 0.098 0.000 1.039 96 R CA -0.462 55.611 56.100 -0.046 0.000 0.909 96 R CB 1.291 31.486 30.300 -0.176 0.000 1.195 96 R HN 0.179 nan 8.270 nan 0.000 0.438 97 S N 1.560 117.340 115.700 0.134 0.000 2.632 97 S HA 0.253 4.380 4.470 -0.573 0.000 0.267 97 S C 1.541 176.245 174.600 0.174 0.000 1.276 97 S CA -0.758 57.522 58.200 0.132 0.000 0.998 97 S CB 0.908 64.153 63.200 0.074 0.000 0.953 97 S HN 0.644 nan 8.310 nan 0.000 0.547 98 L N 0.380 121.677 121.223 0.123 0.000 2.189 98 L HA -0.124 3.873 4.340 -0.573 0.000 0.214 98 L C 2.374 179.277 176.870 0.055 0.000 1.097 98 L CA 0.935 55.836 54.840 0.102 0.000 0.764 98 L CB -0.511 41.590 42.059 0.071 0.000 0.900 98 L HN 0.756 nan 8.230 nan 0.000 0.436 99 L N -0.999 120.204 121.223 -0.033 0.000 2.131 99 L HA -0.255 3.742 4.340 -0.573 0.000 0.210 99 L C 2.194 179.009 176.870 -0.093 0.000 1.092 99 L CA 1.594 56.294 54.840 -0.234 0.000 0.759 99 L CB -0.609 41.099 42.059 -0.585 0.000 0.903 99 L HN 0.163 nan 8.230 nan 0.000 0.435 100 F N -0.304 119.660 119.950 0.024 0.000 2.095 100 F HA -0.289 3.920 4.527 -0.531 0.000 0.298 100 F C 2.472 178.473 175.800 0.336 0.000 1.104 100 F CA 2.309 60.549 58.000 0.399 0.000 1.232 100 F CB -0.437 38.793 39.000 0.384 0.000 0.987 100 F HN 0.213 nan 8.300 nan 0.000 0.475 101 M N -0.006 119.650 119.600 0.094 0.000 2.086 101 M HA -0.250 3.886 4.480 -0.573 0.000 0.261 101 M C 2.151 178.372 176.300 -0.131 0.000 1.067 101 M CA 2.026 57.284 55.300 -0.071 0.000 1.116 101 M CB -0.683 31.938 32.600 0.035 0.000 1.348 101 M HN 0.310 nan 8.290 nan 0.000 0.407 102 Q N -0.348 119.413 119.800 -0.065 0.000 2.230 102 Q HA -0.166 3.830 4.340 -0.573 0.000 0.202 102 Q C 1.650 177.584 176.000 -0.110 0.000 0.963 102 Q CA 1.658 57.405 55.803 -0.093 0.000 0.866 102 Q CB -0.615 28.094 28.738 -0.048 0.000 0.931 102 Q HN 0.734 nan 8.270 nan 0.000 0.452 103 W N -0.389 120.745 121.300 -0.277 0.000 2.770 103 W HA 0.078 4.442 4.660 -0.493 0.000 0.256 103 W C 1.341 177.552 176.519 -0.513 0.000 1.291 103 W CA 0.973 58.141 57.345 -0.296 0.000 1.396 103 W CB -0.016 29.388 29.460 -0.093 0.000 1.114 103 W HN 0.282 nan 8.180 nan 0.000 0.637 104 G N 0.643 109.127 108.800 -0.527 0.000 2.418 104 G HA2 -0.349 3.267 3.960 -0.573 0.000 0.217 104 G HA3 -0.349 3.267 3.960 -0.573 0.000 0.217 104 G C 1.372 175.912 174.900 -0.600 0.000 1.158 104 G CA 0.990 45.765 45.100 -0.541 0.000 0.771 104 G HN 0.353 nan 8.290 nan 0.000 0.545 105 Q N -0.558 118.897 119.800 -0.574 0.000 2.083 105 Q HA -0.022 3.974 4.340 -0.573 0.000 0.198 105 Q C 2.587 178.180 176.000 -0.679 0.000 0.969 105 Q CA 0.584 55.988 55.803 -0.666 0.000 0.838 105 Q CB -0.081 28.294 28.738 -0.606 0.000 0.900 105 Q HN 0.371 nan 8.270 nan 0.000 0.436 106 I N 0.157 120.355 120.570 -0.620 0.000 2.099 106 I HA -0.256 3.571 4.170 -0.573 0.000 0.239 106 I C 2.352 178.181 176.117 -0.479 0.000 1.066 106 I CA 1.102 62.027 61.300 -0.625 0.000 1.324 106 I CB -1.288 36.157 38.000 -0.925 0.000 1.037 106 I HN 0.123 nan 8.210 nan 0.000 0.401 107 V N 1.436 121.032 119.914 -0.531 0.000 2.332 107 V HA -0.312 3.464 4.120 -0.573 0.000 0.248 107 V C 2.491 178.721 176.094 0.226 0.000 1.055 107 V CA 2.259 64.510 62.300 -0.081 0.000 1.038 107 V CB -0.746 31.155 31.823 0.131 0.000 0.651 107 V HN 0.499 nan 8.190 nan 0.000 0.450 108 D N -0.397 120.099 120.400 0.159 0.000 2.092 108 D HA -0.247 4.049 4.640 -0.573 0.000 0.193 108 D C 1.946 178.382 176.300 0.228 0.000 0.994 108 D CA 1.867 55.996 54.000 0.215 0.000 0.828 108 D CB -0.301 40.326 40.800 -0.288 0.000 0.963 108 D HN 0.672 nan 8.370 nan 0.000 0.450 109 H N -0.489 118.531 119.070 -0.085 0.000 2.521 109 H HA -0.084 4.219 4.556 -0.422 0.000 0.286 109 H C 1.497 176.816 175.328 -0.015 0.000 1.034 109 H CA 0.653 56.654 56.048 -0.078 0.000 1.278 109 H CB 0.348 30.021 29.762 -0.148 0.000 1.386 109 H HN 0.231 nan 8.280 nan 0.000 0.567 110 D N 0.654 121.136 120.400 0.137 0.000 2.234 110 D HA -0.066 4.230 4.640 -0.573 0.000 0.205 110 D C 1.844 178.252 176.300 0.180 0.000 0.962 110 D CA 0.562 54.648 54.000 0.143 0.000 0.855 110 D CB 0.365 41.251 40.800 0.143 0.000 0.951 110 D HN 0.382 nan 8.370 nan 0.000 0.500 111 L N -0.182 121.166 121.223 0.209 0.000 2.500 111 L HA 0.169 4.165 4.340 -0.573 0.000 0.219 111 L C -0.187 176.777 176.870 0.156 0.000 1.057 111 L CA 0.109 55.063 54.840 0.190 0.000 0.854 111 L CB 0.290 42.496 42.059 0.245 0.000 1.078 111 L HN -0.095 nan 8.230 nan 0.000 0.480 112 D N -0.996 119.512 120.400 0.180 0.000 2.753 112 D HA 0.463 4.759 4.640 -0.573 0.000 0.224 112 D C -1.300 175.115 176.300 0.192 0.000 1.213 112 D CA -0.347 53.747 54.000 0.157 0.000 0.833 112 D CB 2.597 43.492 40.800 0.158 0.000 1.607 112 D HN -0.194 nan 8.370 nan 0.000 0.463 113 F N 0.731 120.665 119.950 -0.027 0.000 2.670 113 F HA 0.585 4.772 4.527 -0.567 0.000 0.332 113 F C -1.840 173.948 175.800 -0.019 0.000 1.179 113 F CA -0.919 57.044 58.000 -0.062 0.000 1.076 113 F CB 1.702 40.654 39.000 -0.081 0.000 1.322 113 F HN 0.645 nan 8.300 nan 0.000 0.515 114 A N 7.294 129.885 122.820 -0.381 0.000 2.316 114 A HA 0.762 4.738 4.320 -0.573 0.000 0.324 114 A C -2.821 174.349 177.584 -0.690 0.000 1.375 114 A CA -1.591 50.227 52.037 -0.365 0.000 0.882 114 A CB -0.082 18.924 19.000 0.011 0.000 1.152 114 A HN 0.392 nan 8.150 nan 0.000 0.512 115 P HA 0.170 nan 4.420 nan 0.000 0.271 115 P C -0.052 177.052 177.300 -0.327 0.000 1.216 115 P CA -0.121 62.524 63.100 -0.759 0.000 0.771 115 P CB 0.641 32.056 31.700 -0.474 0.000 0.864 116 E N 0.827 120.890 120.200 -0.230 0.000 2.390 116 E HA 0.082 4.089 4.350 -0.573 0.000 0.261 116 E C -0.158 176.380 176.600 -0.103 0.000 1.076 116 E CA -0.167 56.150 56.400 -0.138 0.000 0.905 116 E CB 0.453 30.066 29.700 -0.144 0.000 0.984 116 E HN 0.246 nan 8.360 nan 0.000 0.427 117 T N 3.206 117.743 114.554 -0.028 0.000 2.776 117 T HA 0.080 4.087 4.350 -0.573 0.000 0.292 117 T C -0.699 173.970 174.700 -0.052 0.000 0.921 117 T CA -0.260 61.852 62.100 0.019 0.000 1.038 117 T CB 0.044 69.000 68.868 0.145 0.000 0.910 117 T HN 0.266 nan 8.240 nan 0.000 0.536 118 E N 4.415 124.551 120.200 -0.107 0.000 2.267 118 E HA 0.304 4.311 4.350 -0.573 0.000 0.241 118 E C 0.129 176.689 176.600 -0.066 0.000 0.950 118 E CA -0.294 56.014 56.400 -0.153 0.000 0.776 118 E CB 0.692 30.266 29.700 -0.210 0.000 1.207 118 E HN 0.504 nan 8.360 nan 0.000 0.436 119 L N 2.080 123.299 121.223 -0.007 0.000 2.672 119 L HA 0.370 4.366 4.340 -0.573 0.000 0.236 119 L C 0.434 177.310 176.870 0.011 0.000 1.186 119 L CA 0.186 55.035 54.840 0.015 0.000 0.977 119 L CB 0.281 42.376 42.059 0.060 0.000 1.203 119 L HN 0.422 nan 8.230 nan 0.000 0.448 120 G N -1.324 107.456 108.800 -0.033 0.000 2.544 120 G HA2 0.615 4.231 3.960 -0.573 0.000 0.313 120 G HA3 0.615 4.231 3.960 -0.573 0.000 0.313 120 G C -1.083 173.769 174.900 -0.080 0.000 1.316 120 G CA -0.225 44.853 45.100 -0.037 0.000 0.944 120 G HN 0.018 nan 8.290 nan 0.000 0.489 121 S N 0.089 115.753 115.700 -0.061 0.000 2.542 121 S HA 0.516 4.642 4.470 -0.573 0.000 0.276 121 S C 0.200 174.756 174.600 -0.073 0.000 1.148 121 S CA 0.179 58.334 58.200 -0.075 0.000 0.886 121 S CB 1.609 64.766 63.200 -0.071 0.000 1.109 121 S HN 1.975 nan 8.310 nan 0.000 0.458 122 S N 1.176 116.827 115.700 -0.082 0.000 3.628 122 S HA -0.213 3.914 4.470 -0.573 0.000 0.373 122 S C -0.400 174.108 174.600 -0.153 0.000 0.968 122 S CA 1.674 59.816 58.200 -0.097 0.000 1.215 122 S CB -1.020 62.131 63.200 -0.082 0.000 0.912 122 S HN 0.816 nan 8.310 nan 0.000 0.495 123 E N 0.427 120.543 120.200 -0.139 0.000 2.343 123 E HA 0.610 4.616 4.350 -0.573 0.000 0.270 123 E C 0.845 177.401 176.600 -0.074 0.000 0.895 123 E CA -0.513 55.795 56.400 -0.153 0.000 0.767 123 E CB 0.893 30.586 29.700 -0.012 0.000 1.248 123 E HN 0.596 nan 8.360 nan 0.000 0.440 124 H N 1.244 120.349 119.070 0.059 0.000 2.654 124 H HA 0.267 4.479 4.556 -0.573 0.000 0.264 124 H C 0.898 176.299 175.328 0.121 0.000 0.954 124 H CA 0.212 56.310 56.048 0.085 0.000 1.199 124 H CB 0.624 30.427 29.762 0.068 0.000 1.446 124 H HN 0.279 nan 8.280 nan 0.000 0.516 125 S N 1.439 117.350 115.700 0.352 0.000 2.406 125 S HA -0.066 4.061 4.470 -0.573 0.000 0.228 125 S C 1.919 176.750 174.600 0.386 0.000 1.020 125 S CA 0.679 59.054 58.200 0.292 0.000 0.965 125 S CB 0.010 63.382 63.200 0.288 0.000 0.798 125 S HN 0.403 nan 8.310 nan 0.000 0.488 126 K N 0.941 121.555 120.400 0.356 0.000 2.097 126 K HA -0.041 3.935 4.320 -0.573 0.000 0.206 126 K C 1.982 178.761 176.600 0.298 0.000 1.049 126 K CA 1.183 57.690 56.287 0.367 0.000 0.933 126 K CB -0.386 32.164 32.500 0.084 0.000 0.717 126 K HN 0.207 nan 8.250 nan 0.000 0.442 127 V N 1.234 121.284 119.914 0.227 0.000 2.379 127 V HA -0.216 3.560 4.120 -0.573 0.000 0.245 127 V C 2.326 178.553 176.094 0.223 0.000 1.044 127 V CA 1.576 63.992 62.300 0.193 0.000 1.036 127 V CB -0.405 31.538 31.823 0.200 0.000 0.664 127 V HN 0.331 nan 8.190 nan 0.000 0.453 128 Q N -1.503 118.453 119.800 0.259 0.000 2.291 128 Q HA -0.193 3.804 4.340 -0.573 0.000 0.205 128 Q C 2.263 178.363 176.000 0.168 0.000 0.970 128 Q CA 1.732 57.694 55.803 0.265 0.000 0.876 128 Q CB -0.191 28.646 28.738 0.165 0.000 0.935 128 Q HN 0.704 nan 8.270 nan 0.000 0.455 129 c N -0.317 118.359 118.600 0.128 0.000 2.522 129 c HA -0.025 4.201 4.570 -0.573 0.000 0.280 129 c C 2.435 176.555 174.090 0.051 0.000 1.303 129 c CA 0.842 57.190 56.329 0.031 0.000 1.709 129 c CB -0.387 42.052 42.510 -0.118 0.000 2.071 129 c HN 0.657 nan 8.230 nan 0.000 0.492 130 E N 0.808 121.076 120.200 0.113 0.000 2.012 130 E HA -0.186 3.820 4.350 -0.573 0.000 0.197 130 E C 2.146 178.704 176.600 -0.070 0.000 1.007 130 E CA 1.939 58.367 56.400 0.046 0.000 0.816 130 E CB -0.158 29.608 29.700 0.110 0.000 0.762 130 E HN 0.581 nan 8.360 nan 0.000 0.451 131 E N -0.572 119.537 120.200 -0.151 0.000 2.028 131 E HA -0.154 3.852 4.350 -0.573 0.000 0.190 131 E C 2.020 178.278 176.600 -0.571 0.000 0.984 131 E CA 1.258 57.374 56.400 -0.473 0.000 0.800 131 E CB -0.314 28.887 29.700 -0.832 0.000 0.758 131 E HN 0.507 nan 8.360 nan 0.000 0.448 132 Y N -0.585 119.719 120.300 0.006 0.000 2.458 132 Y HA 0.180 4.387 4.550 -0.573 0.000 0.256 132 Y C 0.754 176.635 175.900 -0.031 0.000 1.159 132 Y CA -0.433 57.660 58.100 -0.010 0.000 1.261 132 Y CB 0.007 38.462 38.460 -0.008 0.000 1.119 132 Y HN -0.025 nan 8.280 nan 0.000 0.524 133 c N 1.423 120.045 118.600 0.037 0.000 4.028 133 c HA -0.155 4.071 4.570 -0.573 0.000 0.300 133 c C 0.359 174.441 174.090 -0.013 0.000 1.399 133 c CA -0.619 55.697 56.329 -0.022 0.000 2.051 133 c CB -2.998 39.473 42.510 -0.065 0.000 1.318 133 c HN 0.168 nan 8.230 nan 0.000 0.696 134 V N 1.733 121.657 119.914 0.016 0.000 2.333 134 V HA 0.271 4.047 4.120 -0.573 0.000 0.274 134 V C 0.521 176.583 176.094 -0.052 0.000 1.028 134 V CA 0.203 62.494 62.300 -0.015 0.000 0.851 134 V CB 1.615 33.446 31.823 0.014 0.000 1.000 134 V HN 0.635 nan 8.190 nan 0.000 0.456 135 Q N 3.326 123.063 119.800 -0.105 0.000 2.392 135 Q HA 0.539 4.536 4.340 -0.573 0.000 0.262 135 Q C 0.189 176.111 176.000 -0.130 0.000 1.003 135 Q CA 0.723 56.443 55.803 -0.139 0.000 0.888 135 Q CB 1.118 29.677 28.738 -0.298 0.000 1.260 135 Q HN 1.013 nan 8.270 nan 0.000 0.435 136 G N 2.301 111.106 108.800 0.009 0.000 2.337 136 G HA2 0.144 3.760 3.960 -0.573 0.000 0.310 136 G HA3 0.144 3.760 3.960 -0.573 0.000 0.310 136 G C -1.257 173.759 174.900 0.193 0.000 1.534 136 G CA -0.274 44.925 45.100 0.164 0.000 0.982 136 G HN 0.796 nan 8.290 nan 0.000 0.672 137 D N -0.835 119.694 120.400 0.215 0.000 3.798 137 D HA -0.172 4.124 4.640 -0.573 0.000 0.150 137 D C 1.164 177.522 176.300 0.098 0.000 0.953 137 D CA 1.448 55.512 54.000 0.106 0.000 1.089 137 D CB -0.584 40.264 40.800 0.081 0.000 0.535 137 D HN 0.549 nan 8.370 nan 0.000 0.563 138 E N -0.386 119.866 120.200 0.087 0.000 2.472 138 E HA 0.115 4.121 4.350 -0.573 0.000 0.196 138 E C 0.736 177.320 176.600 -0.026 0.000 1.033 138 E CA 0.070 56.528 56.400 0.096 0.000 0.886 138 E CB -0.007 29.814 29.700 0.201 0.000 0.944 138 E HN 0.369 nan 8.360 nan 0.000 0.492 139 c N 2.431 120.946 118.600 -0.141 0.000 2.289 139 c HA 0.307 4.533 4.570 -0.573 0.000 0.340 139 c C -0.323 173.813 174.090 0.076 0.000 1.152 139 c CA -0.710 55.430 56.329 -0.315 0.000 1.650 139 c CB -1.824 40.466 42.510 -0.366 0.000 2.203 139 c HN 0.115 nan 8.230 nan 0.000 0.511 140 F N 10.498 130.465 119.950 0.028 0.000 2.311 140 F HA 0.591 4.774 4.527 -0.572 0.000 0.371 140 F C -2.423 173.449 175.800 0.120 0.000 1.083 140 F CA -3.519 54.570 58.000 0.148 0.000 1.113 140 F CB 0.932 40.129 39.000 0.328 0.000 1.349 140 F HN 0.458 nan 8.300 nan 0.000 0.470 141 P HA 0.384 nan 4.420 nan 0.000 0.282 141 P C -0.522 176.588 177.300 -0.316 0.000 1.259 141 P CA -0.404 62.617 63.100 -0.131 0.000 0.826 141 P CB 2.123 33.759 31.700 -0.107 0.000 1.064 142 I N 2.283 122.657 120.570 -0.326 0.000 2.307 142 I HA 0.221 4.048 4.170 -0.573 0.000 0.287 142 I C 0.907 176.764 176.117 -0.433 0.000 1.054 142 I CA -0.585 60.485 61.300 -0.384 0.000 1.218 142 I CB 0.291 38.092 38.000 -0.332 0.000 1.398 142 I HN 0.092 nan 8.210 nan 0.000 0.475 143 M N 4.952 124.346 119.600 -0.344 0.000 2.226 143 M HA 0.316 4.452 4.480 -0.573 0.000 0.324 143 M C -0.361 175.740 176.300 -0.332 0.000 1.112 143 M CA 0.017 55.107 55.300 -0.350 0.000 1.176 143 M CB 0.260 32.757 32.600 -0.172 0.000 1.430 143 M HN 0.203 nan 8.290 nan 0.000 0.462 144 F N 2.709 122.621 119.950 -0.063 0.000 2.404 144 F HA 0.467 4.649 4.527 -0.574 0.000 0.339 144 F C -1.427 174.345 175.800 -0.047 0.000 1.105 144 F CA -2.298 55.667 58.000 -0.057 0.000 1.087 144 F CB -0.123 38.841 39.000 -0.059 0.000 1.143 144 F HN 0.347 nan 8.300 nan 0.000 0.491 145 P HA 0.091 nan 4.420 nan 0.000 0.275 145 P C -0.661 176.675 177.300 0.060 0.000 1.266 145 P CA -0.744 62.399 63.100 0.072 0.000 0.793 145 P CB 0.807 32.533 31.700 0.043 0.000 1.074 146 K N 0.948 121.365 120.400 0.029 0.000 2.489 146 K HA -0.078 3.899 4.320 -0.573 0.000 0.278 146 K C 0.401 177.002 176.600 0.002 0.000 1.000 146 K CA 0.568 56.864 56.287 0.014 0.000 1.012 146 K CB -0.739 31.765 32.500 0.007 0.000 0.903 146 K HN 0.486 nan 8.250 nan 0.000 0.485 147 N N 1.682 120.376 118.700 -0.011 0.000 2.741 147 N HA -0.228 4.168 4.740 -0.573 0.000 0.250 147 N C -1.094 174.391 175.510 -0.042 0.000 1.115 147 N CA 0.567 53.601 53.050 -0.026 0.000 0.724 147 N CB -0.520 37.956 38.487 -0.018 0.000 1.090 147 N HN 0.616 nan 8.380 nan 0.000 0.558 148 D N 0.632 120.998 120.400 -0.057 0.000 2.304 148 D HA 0.133 4.429 4.640 -0.573 0.000 0.250 148 D C -1.280 174.914 176.300 -0.177 0.000 1.107 148 D CA -1.963 51.968 54.000 -0.113 0.000 0.885 148 D CB 1.107 41.828 40.800 -0.132 0.000 1.192 148 D HN 0.052 nan 8.370 nan 0.000 0.436 149 P HA -0.003 nan 4.420 nan 0.000 0.245 149 P C 0.688 177.830 177.300 -0.263 0.000 1.212 149 P CA 0.318 63.313 63.100 -0.176 0.000 0.774 149 P CB 0.444 32.070 31.700 -0.124 0.000 0.999 150 K N -0.117 120.013 120.400 -0.449 0.000 2.288 150 K HA 0.051 4.028 4.320 -0.573 0.000 0.201 150 K C 2.068 178.298 176.600 -0.616 0.000 1.048 150 K CA 0.577 56.474 56.287 -0.651 0.000 0.956 150 K CB -0.482 31.270 32.500 -1.246 0.000 0.746 150 K HN 0.286 nan 8.250 nan 0.000 0.461 151 L N 1.123 122.044 121.223 -0.504 0.000 2.017 151 L HA -0.200 3.796 4.340 -0.573 0.000 0.208 151 L C 2.223 179.014 176.870 -0.133 0.000 1.073 151 L CA 1.540 56.241 54.840 -0.232 0.000 0.745 151 L CB -0.327 41.663 42.059 -0.114 0.000 0.894 151 L HN 0.111 nan 8.230 nan 0.000 0.432 152 K N -1.032 119.289 120.400 -0.133 0.000 2.211 152 K HA -0.075 3.901 4.320 -0.573 0.000 0.203 152 K C 1.768 178.317 176.600 -0.084 0.000 1.050 152 K CA 1.579 57.814 56.287 -0.087 0.000 0.945 152 K CB -0.041 32.413 32.500 -0.078 0.000 0.732 152 K HN 0.345 nan 8.250 nan 0.000 0.451 153 T N -0.140 114.343 114.554 -0.119 0.000 3.018 153 T HA 0.058 4.065 4.350 -0.573 0.000 0.246 153 T C 1.562 176.211 174.700 -0.085 0.000 1.026 153 T CA 0.292 62.334 62.100 -0.097 0.000 1.081 153 T CB 0.326 69.130 68.868 -0.107 0.000 0.970 153 T HN 0.149 nan 8.240 nan 0.000 0.475 154 Q N 0.077 119.812 119.800 -0.107 0.000 2.580 154 Q HA 0.523 4.519 4.340 -0.573 0.000 0.239 154 Q C 1.225 177.235 176.000 0.016 0.000 0.873 154 Q CA 0.430 56.200 55.803 -0.055 0.000 0.951 154 Q CB 1.368 30.065 28.738 -0.068 0.000 1.172 154 Q HN 0.476 nan 8.270 nan 0.000 0.616 155 G N 0.612 109.467 108.800 0.091 0.000 2.534 155 G HA2 0.005 3.621 3.960 -0.573 0.000 0.142 155 G HA3 0.005 3.621 3.960 -0.573 0.000 0.142 155 G C -0.628 174.433 174.900 0.269 0.000 1.178 155 G CA -0.307 44.868 45.100 0.125 0.000 1.037 155 G HN -0.047 nan 8.290 nan 0.000 0.474 156 K N -0.894 119.602 120.400 0.161 0.000 2.370 156 K HA 0.396 4.373 4.320 -0.573 0.000 0.194 156 K C 0.493 176.939 176.600 -0.256 0.000 1.070 156 K CA 0.915 57.265 56.287 0.104 0.000 0.998 156 K CB 0.527 33.033 32.500 0.010 0.000 0.911 156 K HN 0.835 nan 8.250 nan 0.000 0.533 157 c N -1.563 116.784 118.600 -0.422 0.000 3.241 157 c HA 0.627 4.854 4.570 -0.573 0.000 0.312 157 c C -1.019 172.714 174.090 -0.594 0.000 1.350 157 c CA -1.312 54.594 56.329 -0.705 0.000 1.415 157 c CB 0.989 43.291 42.510 -0.346 0.000 1.770 157 c HN 0.035 nan 8.230 nan 0.000 0.466 158 M N 3.618 122.910 119.600 -0.515 0.000 2.066 158 M HA 0.383 4.520 4.480 -0.573 0.000 0.340 158 M C -2.279 174.046 176.300 0.041 0.000 1.053 158 M CA -1.475 53.733 55.300 -0.152 0.000 0.983 158 M CB 1.517 34.118 32.600 0.001 0.000 1.520 158 M HN 0.555 nan 8.290 nan 0.000 0.428 159 P HA -0.030 nan 4.420 nan 0.000 0.264 159 P C -1.163 176.260 177.300 0.204 0.000 1.179 159 P CA 0.426 63.581 63.100 0.091 0.000 0.763 159 P CB 0.343 32.092 31.700 0.081 0.000 0.806 160 F N 3.283 123.199 119.950 -0.056 0.000 2.689 160 F HA 0.468 4.649 4.527 -0.576 0.000 0.332 160 F C -1.803 173.964 175.800 -0.056 0.000 1.209 160 F CA -0.966 57.016 58.000 -0.031 0.000 1.028 160 F CB 0.841 39.752 39.000 -0.147 0.000 1.291 160 F HN 0.036 nan 8.300 nan 0.000 0.500 161 F N 5.117 124.825 119.950 -0.404 0.000 2.422 161 F HA 0.580 4.762 4.527 -0.575 0.000 0.333 161 F C 0.709 176.297 175.800 -0.354 0.000 1.095 161 F CA -0.566 57.300 58.000 -0.223 0.000 1.038 161 F CB 1.301 40.210 39.000 -0.152 0.000 1.156 161 F HN 0.312 nan 8.300 nan 0.000 0.483 162 R N 1.855 122.414 120.500 0.097 0.000 2.537 162 R HA 0.457 4.453 4.340 -0.573 0.000 0.280 162 R C -0.004 176.324 176.300 0.047 0.000 1.058 162 R CA -0.435 55.733 56.100 0.113 0.000 1.057 162 R CB 0.568 30.950 30.300 0.137 0.000 0.973 162 R HN 0.742 nan 8.270 nan 0.000 0.438 163 A N 2.161 124.988 122.820 0.011 0.000 2.406 163 A HA 0.342 4.319 4.320 -0.573 0.000 0.243 163 A C 0.643 178.237 177.584 0.017 0.000 1.082 163 A CA 0.038 52.058 52.037 -0.029 0.000 0.786 163 A CB 0.254 19.224 19.000 -0.051 0.000 1.029 163 A HN 0.795 nan 8.150 nan 0.000 0.495 164 G N -0.465 108.345 108.800 0.018 0.000 2.554 164 G HA2 0.456 4.072 3.960 -0.573 0.000 0.238 164 G HA3 0.456 4.072 3.960 -0.573 0.000 0.238 164 G C -0.322 174.697 174.900 0.199 0.000 1.259 164 G CA 0.182 45.351 45.100 0.114 0.000 0.843 164 G HN 1.099 nan 8.290 nan 0.000 0.582 165 F N 0.108 120.016 119.950 -0.070 0.000 2.620 165 F HA 0.756 4.938 4.527 -0.575 0.000 0.320 165 F C -0.014 175.764 175.800 -0.036 0.000 1.069 165 F CA -2.048 55.917 58.000 -0.058 0.000 0.953 165 F CB 0.670 39.633 39.000 -0.062 0.000 1.322 165 F HN 0.579 nan 8.300 nan 0.000 0.479 166 V N -2.055 117.842 119.914 -0.028 0.000 3.369 166 V HA 0.464 4.240 4.120 -0.573 0.000 0.309 166 V C 1.065 177.078 176.094 -0.134 0.000 1.069 166 V CA -0.249 61.987 62.300 -0.106 0.000 1.042 166 V CB 0.640 32.448 31.823 -0.025 0.000 1.192 166 V HN 1.602 nan 8.190 nan 0.000 0.447 167 c N -0.951 117.587 118.600 -0.104 0.000 5.680 167 c HA -0.088 4.138 4.570 -0.573 0.000 0.311 167 c C -2.030 172.000 174.090 -0.101 0.000 2.274 167 c CA 1.463 57.735 56.329 -0.095 0.000 2.047 167 c CB -2.572 39.872 42.510 -0.110 0.000 2.998 167 c HN 1.365 nan 8.230 nan 0.000 0.380 168 P HA 0.262 nan 4.420 nan 0.000 0.407 168 P C -0.227 176.848 177.300 -0.376 0.000 1.508 168 P CA 0.381 63.403 63.100 -0.130 0.000 1.451 168 P CB 0.846 32.609 31.700 0.105 0.000 3.077 169 T N 0.120 114.488 114.554 -0.310 0.000 3.023 169 T HA 0.164 4.170 4.350 -0.573 0.000 0.266 169 T C -1.318 173.274 174.700 -0.180 0.000 1.093 169 T CA 0.390 62.243 62.100 -0.411 0.000 1.129 169 T CB -0.824 67.915 68.868 -0.215 0.000 0.899 169 T HN 0.386 nan 8.240 nan 0.000 0.491 170 P HA 0.292 nan 4.420 nan 0.000 0.274 170 P C -2.764 174.651 177.300 0.193 0.000 1.256 170 P CA -1.459 61.677 63.100 0.060 0.000 0.795 170 P CB -0.405 31.297 31.700 0.003 0.000 1.038 171 P HA -0.021 nan 4.420 nan 0.000 0.259 171 P C -0.908 176.440 177.300 0.080 0.000 1.163 171 P CA 1.263 64.426 63.100 0.105 0.000 0.760 171 P CB -0.254 31.440 31.700 -0.010 0.000 0.762 172 Y N 0.785 121.145 120.300 0.101 0.000 2.558 172 Y HA 0.331 4.537 4.550 -0.573 0.000 0.333 172 Y C -0.459 175.434 175.900 -0.013 0.000 1.125 172 Y CA -0.695 57.441 58.100 0.059 0.000 1.039 172 Y CB 2.107 40.629 38.460 0.103 0.000 1.331 172 Y HN 0.282 nan 8.280 nan 0.000 0.456 173 Q N 2.835 122.841 119.800 0.343 0.000 2.330 173 Q HA 0.760 4.757 4.340 -0.573 0.000 0.269 173 Q C -1.435 174.597 176.000 0.054 0.000 1.022 173 Q CA -0.251 55.608 55.803 0.094 0.000 0.796 173 Q CB 1.988 30.736 28.738 0.016 0.000 1.271 173 Q HN 0.772 nan 8.270 nan 0.000 0.450 174 S N 2.352 118.032 115.700 -0.032 0.000 2.735 174 S HA 0.261 4.387 4.470 -0.573 0.000 0.276 174 S C -1.002 173.559 174.600 -0.065 0.000 0.957 174 S CA -0.109 58.055 58.200 -0.059 0.000 0.933 174 S CB 0.282 63.423 63.200 -0.098 0.000 1.182 174 S HN 0.794 nan 8.310 nan 0.000 0.459 175 L N 0.803 121.993 121.223 -0.056 0.000 6.780 175 L HA 0.047 4.043 4.340 -0.573 0.000 0.053 175 L C 0.020 176.871 176.870 -0.032 0.000 1.778 175 L CA 2.489 57.301 54.840 -0.047 0.000 1.657 175 L CB -1.169 40.860 42.059 -0.050 0.000 2.738 175 L HN 1.878 nan 8.230 nan 0.000 1.065 176 A N 0.125 122.939 122.820 -0.010 0.000 2.381 176 A HA 0.663 4.640 4.320 -0.573 0.000 0.299 176 A C -0.296 177.339 177.584 0.086 0.000 1.049 176 A CA -0.566 51.505 52.037 0.056 0.000 0.715 176 A CB 1.066 20.111 19.000 0.075 0.000 1.222 176 A HN 0.490 nan 8.150 nan 0.000 0.428 177 R N 2.031 122.591 120.500 0.100 0.000 2.486 177 R HA 0.049 4.045 4.340 -0.573 0.000 0.303 177 R C -1.023 175.375 176.300 0.163 0.000 0.958 177 R CA 0.725 56.876 56.100 0.085 0.000 1.077 177 R CB 0.104 30.355 30.300 -0.083 0.000 0.921 177 R HN 0.654 nan 8.270 nan 0.000 0.406 178 D N 3.090 123.560 120.400 0.116 0.000 2.362 178 D HA 0.150 4.447 4.640 -0.573 0.000 0.247 178 D C -0.396 175.962 176.300 0.096 0.000 1.050 178 D CA -0.675 53.386 54.000 0.101 0.000 0.839 178 D CB 1.942 42.782 40.800 0.067 0.000 1.283 178 D HN 0.243 nan 8.370 nan 0.000 0.477 179 Q N 1.030 120.880 119.800 0.084 0.000 2.259 179 Q HA 0.410 4.406 4.340 -0.573 0.000 0.249 179 Q C -0.172 175.859 176.000 0.052 0.000 0.914 179 Q CA -0.450 55.375 55.803 0.037 0.000 0.904 179 Q CB 1.842 30.532 28.738 -0.080 0.000 1.213 179 Q HN 0.453 nan 8.270 nan 0.000 0.428 180 I N 1.527 122.105 120.570 0.014 0.000 3.004 180 I HA 0.089 3.915 4.170 -0.573 0.000 0.287 180 I C -0.422 175.686 176.117 -0.016 0.000 1.144 180 I CA 0.306 61.601 61.300 -0.009 0.000 1.353 180 I CB 0.644 38.616 38.000 -0.048 0.000 1.417 180 I HN 0.679 nan 8.210 nan 0.000 0.602 181 N N 3.446 122.141 118.700 -0.008 0.000 2.461 181 N HA 0.543 4.940 4.740 -0.573 0.000 0.284 181 N C -0.242 175.282 175.510 0.024 0.000 1.049 181 N CA -0.244 52.810 53.050 0.007 0.000 0.889 181 N CB 1.524 40.027 38.487 0.027 0.000 1.365 181 N HN 0.659 nan 8.380 nan 0.000 0.499 182 A N 2.486 125.332 122.820 0.043 0.000 2.275 182 A HA 0.227 4.203 4.320 -0.573 0.000 0.212 182 A C 0.217 177.888 177.584 0.145 0.000 1.201 182 A CA 0.311 52.405 52.037 0.095 0.000 0.843 182 A CB -0.231 18.848 19.000 0.131 0.000 0.873 182 A HN 0.440 nan 8.150 nan 0.000 0.492 183 V N -2.669 117.333 119.914 0.145 0.000 2.914 183 V HA 0.688 4.464 4.120 -0.573 0.000 0.314 183 V C 0.097 176.256 176.094 0.109 0.000 1.084 183 V CA -0.350 62.034 62.300 0.140 0.000 0.963 183 V CB 0.815 32.730 31.823 0.153 0.000 1.025 183 V HN 0.354 nan 8.190 nan 0.000 0.432 184 T N 0.219 114.851 114.554 0.130 0.000 2.916 184 T HA 0.151 4.157 4.350 -0.573 0.000 0.303 184 T C 1.006 175.731 174.700 0.041 0.000 1.025 184 T CA 0.476 62.652 62.100 0.128 0.000 1.142 184 T CB 0.831 69.858 68.868 0.266 0.000 0.947 184 T HN 0.914 nan 8.240 nan 0.000 0.544 185 S N 2.001 117.584 115.700 -0.195 0.000 2.555 185 S HA 0.160 4.286 4.470 -0.573 0.000 0.230 185 S C 0.063 174.486 174.600 -0.296 0.000 0.978 185 S CA -0.005 58.012 58.200 -0.305 0.000 0.934 185 S CB -0.558 62.378 63.200 -0.439 0.000 0.766 185 S HN 0.697 nan 8.310 nan 0.000 0.533 186 F N 0.768 120.817 119.950 0.164 0.000 2.399 186 F HA 0.413 4.597 4.527 -0.572 0.000 0.328 186 F C 0.454 176.404 175.800 0.250 0.000 1.084 186 F CA -1.278 56.853 58.000 0.218 0.000 1.053 186 F CB 0.432 39.569 39.000 0.228 0.000 1.209 186 F HN -0.132 nan 8.300 nan 0.000 0.502 187 L N 3.113 124.644 121.223 0.513 0.000 2.536 187 L HA 0.085 4.082 4.340 -0.573 0.000 0.282 187 L C -0.219 176.896 176.870 0.409 0.000 1.174 187 L CA 0.212 55.329 54.840 0.462 0.000 0.989 187 L CB -0.386 42.015 42.059 0.570 0.000 1.311 187 L HN 0.730 nan 8.230 nan 0.000 0.455 188 D N 1.855 122.458 120.400 0.337 0.000 2.594 188 D HA 0.136 4.432 4.640 -0.573 0.000 0.256 188 D C 0.632 177.080 176.300 0.246 0.000 1.393 188 D CA 0.138 54.297 54.000 0.265 0.000 0.797 188 D CB 0.479 41.415 40.800 0.227 0.000 1.110 188 D HN 0.317 nan 8.370 nan 0.000 0.495 189 A N 0.377 123.360 122.820 0.271 0.000 2.739 189 A HA -0.227 3.749 4.320 -0.573 0.000 0.296 189 A C 1.606 179.385 177.584 0.325 0.000 1.488 189 A CA 0.897 53.109 52.037 0.292 0.000 0.746 189 A CB -2.523 16.723 19.000 0.410 0.000 1.047 189 A HN 0.246 nan 8.150 nan 0.000 0.477 190 S N -0.563 115.277 115.700 0.234 0.000 2.382 190 S HA -0.159 3.967 4.470 -0.573 0.000 0.228 190 S C 1.930 176.628 174.600 0.163 0.000 1.027 190 S CA 1.496 59.822 58.200 0.210 0.000 0.991 190 S CB -0.462 62.846 63.200 0.180 0.000 0.823 190 S HN 1.424 nan 8.310 nan 0.000 0.469 191 L N -0.403 120.884 121.223 0.106 0.000 2.456 191 L HA 0.121 4.118 4.340 -0.573 0.000 0.224 191 L C 1.453 178.373 176.870 0.084 0.000 1.148 191 L CA 0.851 55.728 54.840 0.061 0.000 0.825 191 L CB -0.321 41.708 42.059 -0.050 0.000 0.937 191 L HN 0.100 nan 8.230 nan 0.000 0.450 192 V N -1.583 118.333 119.914 0.003 0.000 3.523 192 V HA 0.044 3.820 4.120 -0.573 0.000 0.255 192 V C 1.317 177.153 176.094 -0.430 0.000 1.226 192 V CA 0.600 62.776 62.300 -0.206 0.000 1.092 192 V CB -0.221 31.372 31.823 -0.383 0.000 0.817 192 V HN 0.393 nan 8.190 nan 0.000 0.458 193 Y N 0.522 120.862 120.300 0.066 0.000 2.430 193 Y HA 0.596 4.801 4.550 -0.575 0.000 0.254 193 Y C 1.366 177.312 175.900 0.077 0.000 1.088 193 Y CA 0.437 58.581 58.100 0.073 0.000 1.267 193 Y CB 1.000 39.507 38.460 0.079 0.000 1.204 193 Y HN 0.290 nan 8.280 nan 0.000 0.515 194 G N 0.002 108.914 108.800 0.186 0.000 2.663 194 G HA2 -0.130 3.486 3.960 -0.573 0.000 0.686 194 G HA3 -0.130 3.486 3.960 -0.573 0.000 0.686 194 G C 0.207 175.197 174.900 0.149 0.000 1.288 194 G CA -0.120 45.063 45.100 0.138 0.000 0.836 194 G HN 0.021 nan 8.290 nan 0.000 0.584 195 S N -0.137 115.635 115.700 0.120 0.000 2.687 195 S HA 0.246 4.372 4.470 -0.573 0.000 0.247 195 S C 0.331 174.989 174.600 0.097 0.000 1.050 195 S CA 0.447 58.719 58.200 0.120 0.000 1.063 195 S CB 0.586 63.861 63.200 0.125 0.000 1.039 195 S HN 0.619 nan 8.310 nan 0.000 0.580 196 E N 3.041 123.291 120.200 0.083 0.000 2.133 196 E HA 0.335 4.341 4.350 -0.573 0.000 0.274 196 E C -2.531 174.103 176.600 0.056 0.000 0.930 196 E CA -2.293 54.145 56.400 0.064 0.000 0.770 196 E CB 1.102 30.834 29.700 0.053 0.000 1.104 196 E HN 0.096 nan 8.360 nan 0.000 0.403 200 A N -0.567 122.272 122.820 0.033 0.000 2.015 200 A HA 0.012 3.989 4.320 -0.573 0.000 0.219 200 A C 2.102 179.673 177.584 -0.023 0.000 1.163 200 A CA 1.832 53.895 52.037 0.045 0.000 0.646 200 A CB -0.507 18.544 19.000 0.086 0.000 0.806 200 A HN 0.398 nan 8.150 nan 0.000 0.448 201 S N -1.636 114.038 115.700 -0.042 0.000 2.575 201 S HA 0.089 4.216 4.470 -0.573 0.000 0.215 201 S C 1.779 176.339 174.600 -0.067 0.000 0.966 201 S CA 0.280 58.430 58.200 -0.083 0.000 0.911 201 S CB -0.299 62.861 63.200 -0.067 0.000 0.780 201 S HN 0.633 nan 8.310 nan 0.000 0.514 202 R N 0.119 120.593 120.500 -0.043 0.000 2.254 202 R HA 0.286 4.283 4.340 -0.573 0.000 0.193 202 R C 1.203 177.479 176.300 -0.040 0.000 0.929 202 R CA 0.304 56.384 56.100 -0.033 0.000 1.038 202 R CB 0.001 30.291 30.300 -0.017 0.000 1.009 202 R HN 0.371 nan 8.270 nan 0.000 0.512 203 L N 0.794 121.990 121.223 -0.046 0.000 2.599 203 L HA 0.150 4.146 4.340 -0.573 0.000 0.230 203 L C 0.564 177.390 176.870 -0.074 0.000 1.141 203 L CA 0.405 55.210 54.840 -0.058 0.000 0.877 203 L CB -0.022 42.004 42.059 -0.055 0.000 1.009 203 L HN -0.024 nan 8.230 nan 0.000 0.447 204 R N 0.057 120.506 120.500 -0.085 0.000 2.598 204 R HA 0.219 4.216 4.340 -0.573 0.000 0.279 204 R C -0.218 176.044 176.300 -0.063 0.000 0.984 204 R CA -0.686 55.353 56.100 -0.101 0.000 0.999 204 R CB 0.863 31.041 30.300 -0.204 0.000 1.114 204 R HN -0.174 nan 8.270 nan 0.000 0.493 205 N N 2.371 121.050 118.700 -0.035 0.000 2.767 205 N HA 0.114 4.510 4.740 -0.573 0.000 0.238 205 N C 0.024 175.525 175.510 -0.014 0.000 1.083 205 N CA -0.058 52.985 53.050 -0.012 0.000 0.964 205 N CB 0.350 38.845 38.487 0.014 0.000 1.252 205 N HN 0.527 nan 8.380 nan 0.000 0.512 206 L N 1.026 122.232 121.223 -0.029 0.000 2.627 206 L HA 0.107 4.103 4.340 -0.573 0.000 0.232 206 L C 1.442 178.308 176.870 -0.008 0.000 1.150 206 L CA 0.048 54.871 54.840 -0.028 0.000 0.917 206 L CB -0.139 41.893 42.059 -0.045 0.000 1.104 206 L HN 0.420 nan 8.230 nan 0.000 0.445 207 S N -0.435 115.265 115.700 0.001 0.000 2.387 207 S HA -0.058 4.068 4.470 -0.573 0.000 0.226 207 S C 0.993 175.603 174.600 0.017 0.000 1.026 207 S CA 0.900 59.106 58.200 0.011 0.000 0.972 207 S CB 0.042 63.252 63.200 0.016 0.000 0.814 207 S HN 0.572 nan 8.310 nan 0.000 0.477 208 S N 1.204 116.917 115.700 0.022 0.000 2.538 208 S HA 0.470 4.596 4.470 -0.573 0.000 0.288 208 S C -3.280 171.340 174.600 0.034 0.000 1.108 208 S CA -1.512 56.705 58.200 0.028 0.000 0.971 208 S CB 2.025 65.245 63.200 0.033 0.000 1.041 208 S HN -0.071 nan 8.310 nan 0.000 0.483 209 P HA 0.303 nan 4.420 nan 0.000 0.220 209 P C -0.453 176.884 177.300 0.062 0.000 1.806 209 P CA -0.279 62.850 63.100 0.047 0.000 0.976 209 P CB -0.216 31.511 31.700 0.046 0.000 1.952 210 L N -0.356 120.907 121.223 0.067 0.000 2.959 210 L HA 0.359 4.355 4.340 -0.573 0.000 0.259 210 L C 1.373 178.305 176.870 0.103 0.000 1.185 210 L CA -0.234 54.651 54.840 0.074 0.000 0.998 210 L CB -0.997 41.095 42.059 0.055 0.000 1.337 210 L HN 0.298 nan 8.230 nan 0.000 0.555 211 G N 1.224 110.093 108.800 0.115 0.000 2.370 211 G HA2 -0.242 3.374 3.960 -0.573 0.000 0.293 211 G HA3 -0.242 3.374 3.960 -0.573 0.000 0.293 211 G C -0.403 174.661 174.900 0.273 0.000 0.992 211 G CA 0.156 45.368 45.100 0.187 0.000 1.247 211 G HN 0.133 nan 8.290 nan 0.000 0.505 212 L N 0.097 121.452 121.223 0.220 0.000 2.319 212 L HA 0.840 4.837 4.340 -0.573 0.000 0.267 212 L C 0.395 177.381 176.870 0.194 0.000 1.011 212 L CA -1.394 53.596 54.840 0.250 0.000 0.818 212 L CB 1.895 44.035 42.059 0.134 0.000 1.316 212 L HN 0.344 nan 8.230 nan 0.000 0.432 213 M N 2.269 121.972 119.600 0.172 0.000 2.120 213 M HA 0.522 4.658 4.480 -0.573 0.000 0.354 213 M C 0.012 176.298 176.300 -0.024 0.000 1.287 213 M CA -0.317 54.974 55.300 -0.015 0.000 1.103 213 M CB 0.941 33.443 32.600 -0.162 0.000 1.623 213 M HN 0.632 nan 8.290 nan 0.000 0.471 214 A N 5.234 128.026 122.820 -0.046 0.000 2.566 214 A HA 0.433 4.409 4.320 -0.573 0.000 0.245 214 A C -0.001 177.530 177.584 -0.088 0.000 1.056 214 A CA -0.157 51.851 52.037 -0.049 0.000 0.757 214 A CB -0.740 18.230 19.000 -0.049 0.000 0.979 214 A HN 0.942 nan 8.150 nan 0.000 0.508 215 V N 1.396 121.254 119.914 -0.092 0.000 3.345 215 V HA 0.521 4.297 4.120 -0.573 0.000 0.308 215 V C 0.543 176.505 176.094 -0.220 0.000 1.168 215 V CA -1.477 60.717 62.300 -0.176 0.000 1.024 215 V CB 1.115 32.824 31.823 -0.189 0.000 1.211 215 V HN 0.817 nan 8.190 nan 0.000 0.461 216 N N 0.902 119.380 118.700 -0.369 0.000 2.520 216 N HA 0.177 4.573 4.740 -0.573 0.000 0.273 216 N C 0.501 175.769 175.510 -0.404 0.000 1.155 216 N CA -0.056 52.752 53.050 -0.404 0.000 0.967 216 N CB 1.523 39.700 38.487 -0.516 0.000 1.092 216 N HN 0.747 nan 8.380 nan 0.000 0.457 217 Q N 1.851 121.560 119.800 -0.152 0.000 2.396 217 Q HA 0.070 4.066 4.340 -0.573 0.000 0.209 217 Q C 0.295 176.387 176.000 0.153 0.000 0.906 217 Q CA 0.789 56.625 55.803 0.055 0.000 0.927 217 Q CB 0.637 29.434 28.738 0.097 0.000 1.069 217 Q HN 0.715 nan 8.270 nan 0.000 0.523 218 E N -0.043 120.181 120.200 0.041 0.000 2.453 218 E HA 0.303 4.309 4.350 -0.573 0.000 0.211 218 E C 0.095 176.798 176.600 0.172 0.000 0.897 218 E CA 0.024 56.523 56.400 0.165 0.000 1.063 218 E CB 1.033 30.849 29.700 0.193 0.000 1.080 218 E HN 0.035 nan 8.360 nan 0.000 0.512 219 A N 0.951 123.780 122.820 0.014 0.000 2.355 219 A HA 0.627 4.604 4.320 -0.573 0.000 0.324 219 A C -1.786 175.723 177.584 -0.124 0.000 1.117 219 A CA -0.476 51.637 52.037 0.127 0.000 0.785 219 A CB 0.842 19.977 19.000 0.226 0.000 1.254 219 A HN 0.165 nan 8.150 nan 0.000 0.453 220 W N -0.151 121.294 121.300 0.242 0.000 3.033 220 W HA 0.535 4.853 4.660 -0.569 0.000 0.336 220 W C -1.036 175.394 176.519 -0.148 0.000 1.173 220 W CA -0.104 57.237 57.345 -0.008 0.000 1.185 220 W CB 2.129 31.579 29.460 -0.017 0.000 1.425 220 W HN 0.604 nan 8.180 nan 0.000 0.536 221 D N 0.618 120.945 120.400 -0.121 0.000 2.400 221 D HA 0.211 4.507 4.640 -0.573 0.000 0.272 221 D C -0.483 175.731 176.300 -0.144 0.000 1.220 221 D CA -0.423 53.379 54.000 -0.331 0.000 0.897 221 D CB -0.442 39.968 40.800 -0.650 0.000 1.134 221 D HN 0.602 nan 8.370 nan 0.000 0.507 222 H N 1.350 120.475 119.070 0.092 0.000 2.626 222 H HA -0.203 4.009 4.556 -0.573 0.000 0.317 222 H C 1.439 176.828 175.328 0.102 0.000 1.140 222 H CA 0.858 56.951 56.048 0.075 0.000 1.134 222 H CB -1.109 28.686 29.762 0.054 0.000 1.486 222 H HN 0.658 nan 8.280 nan 0.000 0.417 223 G N -1.250 107.633 108.800 0.138 0.000 2.304 223 G HA2 -0.352 3.264 3.960 -0.573 0.000 0.252 223 G HA3 -0.352 3.264 3.960 -0.573 0.000 0.252 223 G C 0.405 175.409 174.900 0.174 0.000 1.014 223 G CA 0.297 45.426 45.100 0.048 0.000 0.619 223 G HN 0.468 nan 8.290 nan 0.000 0.525 224 L N 1.150 122.470 121.223 0.162 0.000 2.418 224 L HA 0.697 4.693 4.340 -0.573 0.000 0.265 224 L C 1.091 177.945 176.870 -0.027 0.000 1.143 224 L CA -0.249 54.621 54.840 0.051 0.000 0.809 224 L CB 1.264 43.278 42.059 -0.075 0.000 1.124 224 L HN 0.392 nan 8.230 nan 0.000 0.456 225 A N 2.003 124.735 122.820 -0.146 0.000 2.242 225 A HA 0.663 4.640 4.320 -0.573 0.000 0.304 225 A C -1.135 176.086 177.584 -0.605 0.000 1.100 225 A CA -0.210 51.592 52.037 -0.390 0.000 0.860 225 A CB 0.583 19.432 19.000 -0.251 0.000 1.168 225 A HN 0.604 nan 8.150 nan 0.000 0.503 226 Y N -0.914 119.078 120.300 -0.512 0.000 2.570 226 Y HA 0.452 4.658 4.550 -0.575 0.000 0.345 226 Y C -2.146 173.367 175.900 -0.644 0.000 1.014 226 Y CA -2.358 55.381 58.100 -0.602 0.000 1.063 226 Y CB 2.161 40.272 38.460 -0.582 0.000 1.272 226 Y HN 0.444 nan 8.280 nan 0.000 0.477 227 P HA 0.084 nan 4.420 nan 0.000 0.271 227 P C -2.649 174.408 177.300 -0.406 0.000 1.233 227 P CA -1.077 61.713 63.100 -0.516 0.000 0.789 227 P CB 0.006 31.324 31.700 -0.636 0.000 0.951 228 P HA 0.184 nan 4.420 nan 0.000 0.274 228 P C -0.748 176.489 177.300 -0.105 0.000 1.246 228 P CA -0.053 62.921 63.100 -0.209 0.000 0.795 228 P CB 0.247 31.886 31.700 -0.101 0.000 1.006 229 F N 0.375 120.369 119.950 0.073 0.000 2.412 229 F HA 0.214 4.396 4.527 -0.574 0.000 0.348 229 F C 1.383 177.191 175.800 0.014 0.000 1.102 229 F CA -0.267 57.757 58.000 0.041 0.000 1.196 229 F CB -0.226 38.766 39.000 -0.012 0.000 1.144 229 F HN 0.209 nan 8.300 nan 0.000 0.541 230 N N 3.161 121.992 118.700 0.219 0.000 2.421 230 N HA -0.024 4.372 4.740 -0.573 0.000 0.260 230 N C -0.311 175.250 175.510 0.085 0.000 1.173 230 N CA 0.114 53.231 53.050 0.112 0.000 0.960 230 N CB -0.353 38.180 38.487 0.077 0.000 1.273 230 N HN 0.328 nan 8.380 nan 0.000 0.497 231 N N 2.672 121.419 118.700 0.077 0.000 3.111 231 N HA 0.031 4.427 4.740 -0.573 0.000 0.302 231 N C -0.957 174.565 175.510 0.020 0.000 1.317 231 N CA 0.056 53.133 53.050 0.045 0.000 1.151 231 N CB 0.182 38.701 38.487 0.053 0.000 1.456 231 N HN 0.265 nan 8.380 nan 0.000 0.547 232 V N 0.418 120.340 119.914 0.012 0.000 2.409 232 V HA 0.298 4.075 4.120 -0.573 0.000 0.291 232 V C -0.307 175.779 176.094 -0.013 0.000 1.020 232 V CA -0.830 61.469 62.300 -0.002 0.000 0.848 232 V CB 1.702 33.522 31.823 -0.006 0.000 0.990 232 V HN 0.063 nan 8.190 nan 0.000 0.430 233 K N 7.367 127.757 120.400 -0.017 0.000 2.185 233 K HA 0.644 4.621 4.320 -0.573 0.000 0.269 233 K C -2.134 174.448 176.600 -0.031 0.000 0.987 233 K CA -1.487 54.787 56.287 -0.022 0.000 0.865 233 K CB 1.318 33.807 32.500 -0.019 0.000 1.090 233 K HN 0.667 nan 8.250 nan 0.000 0.450 234 P HA 0.136 nan 4.420 nan 0.000 0.276 234 P C -1.227 176.048 177.300 -0.041 0.000 1.252 234 P CA -0.614 62.465 63.100 -0.036 0.000 0.802 234 P CB 1.459 33.125 31.700 -0.057 0.000 1.035 235 S N 0.520 116.208 115.700 -0.020 0.000 2.733 235 S HA 0.435 4.561 4.470 -0.573 0.000 0.294 235 S C -2.035 172.564 174.600 -0.001 0.000 1.149 235 S CA -1.409 56.778 58.200 -0.021 0.000 1.034 235 S CB 1.152 64.345 63.200 -0.012 0.000 1.015 235 S HN 0.109 nan 8.310 nan 0.000 0.486 236 P HA -0.037 nan 4.420 nan 0.000 0.218 236 P C 1.008 178.331 177.300 0.038 0.000 1.146 236 P CA 0.986 64.020 63.100 -0.110 0.000 0.813 236 P CB -0.008 31.355 31.700 -0.562 0.000 0.778 237 c N -1.061 117.587 118.600 0.081 0.000 2.475 237 c HA 0.001 4.227 4.570 -0.573 0.000 0.279 237 c C 2.501 176.641 174.090 0.083 0.000 1.322 237 c CA 0.405 56.802 56.329 0.113 0.000 1.734 237 c CB -1.354 41.194 42.510 0.063 0.000 2.005 237 c HN 0.328 nan 8.230 nan 0.000 0.495 238 E N 0.141 120.375 120.200 0.056 0.000 2.150 238 E HA -0.193 3.814 4.350 -0.573 0.000 0.193 238 E C 1.752 178.396 176.600 0.074 0.000 0.985 238 E CA 0.993 57.417 56.400 0.041 0.000 0.814 238 E CB -0.231 29.485 29.700 0.027 0.000 0.752 238 E HN 0.738 nan 8.360 nan 0.000 0.466 239 F N 1.753 121.694 119.950 -0.016 0.000 2.171 239 F HA -0.152 4.031 4.527 -0.573 0.000 0.300 239 F C 2.087 177.893 175.800 0.009 0.000 1.090 239 F CA 1.396 59.403 58.000 0.012 0.000 1.293 239 F CB -0.056 38.990 39.000 0.077 0.000 1.013 239 F HN -0.027 nan 8.300 nan 0.000 0.486 240 I N -1.806 118.775 120.570 0.018 0.000 3.251 240 I HA 0.056 3.882 4.170 -0.573 0.000 0.277 240 I C -0.029 176.041 176.117 -0.078 0.000 1.268 240 I CA 0.601 61.881 61.300 -0.033 0.000 1.449 240 I CB -0.299 37.733 38.000 0.052 0.000 1.083 240 I HN 0.161 nan 8.210 nan 0.000 0.464 241 N N 0.933 119.546 118.700 -0.144 0.000 2.655 241 N HA 0.079 4.476 4.740 -0.573 0.000 0.277 241 N C 0.408 175.767 175.510 -0.252 0.000 1.177 241 N CA 0.377 53.237 53.050 -0.316 0.000 0.882 241 N CB 1.418 39.461 38.487 -0.741 0.000 1.481 241 N HN 0.210 nan 8.380 nan 0.000 0.547 242 T N -0.889 113.533 114.554 -0.218 0.000 2.978 242 T HA -0.028 3.978 4.350 -0.573 0.000 0.262 242 T C 1.493 176.131 174.700 -0.103 0.000 1.063 242 T CA 1.400 63.413 62.100 -0.146 0.000 1.140 242 T CB -0.281 68.493 68.868 -0.157 0.000 0.886 242 T HN 0.321 nan 8.240 nan 0.000 0.470 243 T N 2.557 117.018 114.554 -0.155 0.000 2.699 243 T HA 0.098 4.104 4.350 -0.573 0.000 0.268 243 T C 1.017 175.698 174.700 -0.031 0.000 1.036 243 T CA 1.289 63.322 62.100 -0.112 0.000 1.147 243 T CB -0.551 68.210 68.868 -0.179 0.000 0.862 243 T HN 0.714 nan 8.240 nan 0.000 0.446 244 A N 3.013 125.750 122.820 -0.138 0.000 2.258 244 A HA 0.509 4.486 4.320 -0.573 0.000 0.316 244 A C -0.442 177.096 177.584 -0.076 0.000 1.279 244 A CA -0.882 51.070 52.037 -0.141 0.000 0.876 244 A CB 0.288 19.153 19.000 -0.225 0.000 1.170 244 A HN 0.521 nan 8.150 nan 0.000 0.520 245 H N 2.006 120.980 119.070 -0.160 0.000 2.685 245 H HA 0.494 4.706 4.556 -0.573 0.000 0.286 245 H C -1.155 174.041 175.328 -0.220 0.000 1.102 245 H CA -1.124 54.824 56.048 -0.166 0.000 1.254 245 H CB -0.035 29.643 29.762 -0.140 0.000 1.397 245 H HN 0.170 nan 8.280 nan 0.000 0.473 246 V N 5.468 125.260 119.914 -0.203 0.000 2.349 246 V HA 0.256 4.032 4.120 -0.573 0.000 0.284 246 V C -2.172 173.711 176.094 -0.352 0.000 1.014 246 V CA -1.710 60.357 62.300 -0.388 0.000 0.826 246 V CB 1.670 33.350 31.823 -0.237 0.000 1.009 246 V HN 0.577 nan 8.190 nan 0.000 0.431 247 P HA 0.235 nan 4.420 nan 0.000 0.275 247 P C 0.050 177.255 177.300 -0.160 0.000 1.266 247 P CA -0.343 62.603 63.100 -0.256 0.000 0.793 247 P CB 0.767 32.333 31.700 -0.223 0.000 1.074 248 c N -0.654 117.923 118.600 -0.038 0.000 2.705 248 c HA 0.288 4.515 4.570 -0.573 0.000 0.348 248 c C 0.858 174.958 174.090 0.017 0.000 1.386 248 c CA -0.100 56.203 56.329 -0.043 0.000 2.361 248 c CB -1.253 41.299 42.510 0.070 0.000 2.486 248 c HN 0.361 nan 8.230 nan 0.000 0.728 249 F N 0.466 120.461 119.950 0.076 0.000 2.379 249 F HA 0.382 4.562 4.527 -0.580 0.000 0.332 249 F C 0.543 176.296 175.800 -0.078 0.000 1.096 249 F CA -0.258 57.710 58.000 -0.052 0.000 1.105 249 F CB 0.456 39.354 39.000 -0.171 0.000 1.189 249 F HN 0.512 nan 8.300 nan 0.000 0.515 250 Q N 1.742 121.617 119.800 0.124 0.000 2.278 250 Q HA 0.693 4.690 4.340 -0.573 0.000 0.257 250 Q C -1.068 174.889 176.000 -0.073 0.000 0.928 250 Q CA -0.458 55.356 55.803 0.019 0.000 0.932 250 Q CB 1.232 29.980 28.738 0.016 0.000 1.221 250 Q HN 0.856 nan 8.270 nan 0.000 0.434 251 A N 2.055 124.824 122.820 -0.086 0.000 2.567 251 A HA 0.652 4.629 4.320 -0.573 0.000 0.289 251 A C 0.550 178.123 177.584 -0.018 0.000 1.177 251 A CA -0.143 51.823 52.037 -0.119 0.000 0.694 251 A CB 0.675 19.464 19.000 -0.352 0.000 1.292 251 A HN 0.793 nan 8.150 nan 0.000 0.425 252 G N -0.941 107.882 108.800 0.039 0.000 2.625 252 G HA2 0.254 3.871 3.960 -0.573 0.000 0.214 252 G HA3 0.254 3.871 3.960 -0.573 0.000 0.214 252 G C 0.101 175.044 174.900 0.072 0.000 1.132 252 G CA 1.473 46.611 45.100 0.064 0.000 0.782 252 G HN 0.848 nan 8.290 nan 0.000 0.538 253 D N -2.394 118.050 120.400 0.073 0.000 2.732 253 D HA 0.463 4.760 4.640 -0.573 0.000 0.229 253 D C 1.198 177.475 176.300 -0.038 0.000 1.152 253 D CA -0.586 53.420 54.000 0.010 0.000 0.854 253 D CB 1.546 42.367 40.800 0.034 0.000 1.590 253 D HN -0.157 nan 8.370 nan 0.000 0.468 254 S N 1.287 116.909 115.700 -0.131 0.000 2.419 254 S HA -0.107 4.019 4.470 -0.573 0.000 0.233 254 S C 1.409 175.964 174.600 -0.076 0.000 1.016 254 S CA 0.939 59.079 58.200 -0.100 0.000 0.974 254 S CB -0.106 63.020 63.200 -0.122 0.000 0.786 254 S HN 0.491 nan 8.310 nan 0.000 0.492 255 R N 0.902 121.316 120.500 -0.143 0.000 2.334 255 R HA 0.348 4.345 4.340 -0.573 0.000 0.220 255 R C 2.067 178.401 176.300 0.058 0.000 0.917 255 R CA 0.439 56.498 56.100 -0.068 0.000 1.073 255 R CB -0.190 29.963 30.300 -0.245 0.000 1.056 255 R HN 0.307 nan 8.270 nan 0.000 0.506 256 A N 0.887 123.745 122.820 0.064 0.000 2.032 256 A HA -0.165 3.811 4.320 -0.573 0.000 0.221 256 A C 1.806 179.418 177.584 0.046 0.000 1.165 256 A CA 1.708 53.771 52.037 0.043 0.000 0.645 256 A CB -0.112 18.710 19.000 -0.296 0.000 0.807 256 A HN 0.202 nan 8.150 nan 0.000 0.453 257 S N -1.120 114.604 115.700 0.040 0.000 2.554 257 S HA 0.074 4.200 4.470 -0.573 0.000 0.226 257 S C 1.412 175.859 174.600 -0.256 0.000 0.980 257 S CA 0.084 58.288 58.200 0.008 0.000 0.939 257 S CB 0.154 63.417 63.200 0.105 0.000 0.832 257 S HN 0.667 nan 8.310 nan 0.000 0.486 258 E N 1.920 121.901 120.200 -0.365 0.000 2.209 258 E HA -0.146 3.860 4.350 -0.573 0.000 0.196 258 E C 0.679 176.982 176.600 -0.496 0.000 0.993 258 E CA 0.949 56.873 56.400 -0.792 0.000 0.819 258 E CB 0.183 29.703 29.700 -0.301 0.000 0.745 258 E HN 0.585 nan 8.360 nan 0.000 0.477 259 Q N -0.686 118.989 119.800 -0.209 0.000 2.426 259 Q HA 0.111 4.107 4.340 -0.573 0.000 0.278 259 Q C 0.884 176.846 176.000 -0.062 0.000 1.007 259 Q CA -0.566 55.196 55.803 -0.068 0.000 0.850 259 Q CB 1.046 29.796 28.738 0.021 0.000 1.427 259 Q HN -0.039 nan 8.270 nan 0.000 0.391 260 I N 2.027 122.551 120.570 -0.077 0.000 2.091 260 I HA -0.331 3.495 4.170 -0.573 0.000 0.239 260 I C 2.169 178.273 176.117 -0.021 0.000 1.061 260 I CA 1.576 62.835 61.300 -0.069 0.000 1.317 260 I CB -0.683 37.249 38.000 -0.114 0.000 1.031 260 I HN 0.692 nan 8.210 nan 0.000 0.401 261 L N -0.181 121.028 121.223 -0.022 0.000 2.093 261 L HA -0.208 3.788 4.340 -0.573 0.000 0.208 261 L C 2.639 179.523 176.870 0.023 0.000 1.085 261 L CA 0.626 55.466 54.840 0.001 0.000 0.755 261 L CB -0.613 41.443 42.059 -0.005 0.000 0.904 261 L HN 0.238 nan 8.230 nan 0.000 0.435 262 L N 0.703 121.930 121.223 0.006 0.000 2.042 262 L HA -0.191 3.806 4.340 -0.573 0.000 0.210 262 L C 2.610 179.543 176.870 0.105 0.000 1.076 262 L CA 2.107 56.956 54.840 0.014 0.000 0.749 262 L CB -0.736 41.310 42.059 -0.021 0.000 0.893 262 L HN 0.163 nan 8.230 nan 0.000 0.432 263 A N -2.144 120.737 122.820 0.102 0.000 2.067 263 A HA -0.138 3.838 4.320 -0.573 0.000 0.219 263 A C 2.175 179.827 177.584 0.114 0.000 1.158 263 A CA 1.942 54.065 52.037 0.144 0.000 0.661 263 A CB -0.930 18.201 19.000 0.218 0.000 0.801 263 A HN 0.542 nan 8.150 nan 0.000 0.452 264 T N -0.640 113.970 114.554 0.093 0.000 2.735 264 T HA -0.072 3.934 4.350 -0.573 0.000 0.256 264 T C 1.752 176.511 174.700 0.099 0.000 1.042 264 T CA 1.488 63.633 62.100 0.075 0.000 1.147 264 T CB -0.384 68.517 68.868 0.056 0.000 0.865 264 T HN 0.116 nan 8.240 nan 0.000 0.421 265 V N 0.956 120.958 119.914 0.146 0.000 3.078 265 V HA -0.117 3.660 4.120 -0.573 0.000 0.265 265 V C 1.979 178.178 176.094 0.174 0.000 1.122 265 V CA 1.496 63.934 62.300 0.231 0.000 1.141 265 V CB -0.786 31.223 31.823 0.309 0.000 0.735 265 V HN 0.620 nan 8.190 nan 0.000 0.498 266 H N -0.492 118.592 119.070 0.023 0.000 2.497 266 H HA -0.038 4.177 4.556 -0.569 0.000 0.282 266 H C 2.190 177.459 175.328 -0.099 0.000 1.003 266 H CA 1.195 57.224 56.048 -0.033 0.000 1.307 266 H CB 0.508 30.245 29.762 -0.042 0.000 1.437 266 H HN 0.380 nan 8.280 nan 0.000 0.544 267 T N 0.357 114.931 114.554 0.033 0.000 3.067 267 T HA 0.033 4.040 4.350 -0.573 0.000 0.257 267 T C 1.856 176.499 174.700 -0.094 0.000 1.105 267 T CA 0.238 62.274 62.100 -0.105 0.000 1.104 267 T CB 0.218 68.994 68.868 -0.153 0.000 0.925 267 T HN 0.242 nan 8.240 nan 0.000 0.498 268 L N 0.317 121.511 121.223 -0.048 0.000 2.131 268 L HA 0.130 4.127 4.340 -0.573 0.000 0.206 268 L C 2.301 179.097 176.870 -0.124 0.000 1.087 268 L CA 0.849 55.626 54.840 -0.106 0.000 0.767 268 L CB -0.475 41.520 42.059 -0.107 0.000 0.917 268 L HN 0.233 nan 8.230 nan 0.000 0.441 269 L N -0.536 120.657 121.223 -0.050 0.000 2.056 269 L HA -0.220 3.777 4.340 -0.573 0.000 0.207 269 L C 2.574 179.391 176.870 -0.088 0.000 1.078 269 L CA 0.965 55.767 54.840 -0.063 0.000 0.749 269 L CB -0.406 41.646 42.059 -0.012 0.000 0.901 269 L HN 0.256 nan 8.230 nan 0.000 0.433 270 L N -0.110 121.063 121.223 -0.083 0.000 2.046 270 L HA -0.176 3.820 4.340 -0.573 0.000 0.208 270 L C 2.803 179.622 176.870 -0.086 0.000 1.077 270 L CA 1.600 56.372 54.840 -0.113 0.000 0.747 270 L CB -0.335 41.634 42.059 -0.150 0.000 0.896 270 L HN 0.063 nan 8.230 nan 0.000 0.432 271 R N -0.791 119.639 120.500 -0.116 0.000 2.096 271 R HA -0.191 3.805 4.340 -0.573 0.000 0.235 271 R C 2.179 178.410 176.300 -0.115 0.000 1.127 271 R CA 1.276 57.305 56.100 -0.118 0.000 0.968 271 R CB -0.258 29.951 30.300 -0.152 0.000 0.861 271 R HN 0.330 nan 8.270 nan 0.000 0.440 272 E N 0.121 120.232 120.200 -0.148 0.000 2.110 272 E HA -0.215 3.791 4.350 -0.573 0.000 0.193 272 E C 1.641 178.165 176.600 -0.126 0.000 0.988 272 E CA 1.595 57.880 56.400 -0.192 0.000 0.804 272 E CB -0.157 29.354 29.700 -0.314 0.000 0.745 272 E HN 0.431 nan 8.360 nan 0.000 0.458 273 H N -0.132 118.863 119.070 -0.125 0.000 2.293 273 H HA -0.032 4.180 4.556 -0.573 0.000 0.300 273 H C 1.616 176.917 175.328 -0.046 0.000 1.082 273 H CA 2.204 58.219 56.048 -0.055 0.000 1.308 273 H CB -0.122 29.635 29.762 -0.007 0.000 1.375 273 H HN 0.111 nan 8.280 nan 0.000 0.495 274 N N 0.191 118.937 118.700 0.076 0.000 2.364 274 N HA -0.124 4.272 4.740 -0.573 0.000 0.183 274 N C 1.922 177.390 175.510 -0.069 0.000 1.022 274 N CA 0.786 53.854 53.050 0.031 0.000 0.883 274 N CB -0.287 38.236 38.487 0.059 0.000 0.965 274 N HN 0.441 nan 8.380 nan 0.000 0.438 275 R N 0.515 120.951 120.500 -0.107 0.000 2.075 275 R HA 0.086 4.083 4.340 -0.573 0.000 0.226 275 R C 1.993 178.196 176.300 -0.161 0.000 1.114 275 R CA 0.568 56.593 56.100 -0.126 0.000 0.972 275 R CB -0.113 30.102 30.300 -0.141 0.000 0.869 275 R HN 0.150 nan 8.270 nan 0.000 0.437 276 L N 0.235 121.329 121.223 -0.216 0.000 2.027 276 L HA -0.070 3.926 4.340 -0.573 0.000 0.206 276 L C 2.692 179.419 176.870 -0.239 0.000 1.074 276 L CA 1.287 55.973 54.840 -0.256 0.000 0.745 276 L CB -0.514 41.359 42.059 -0.310 0.000 0.898 276 L HN 0.274 nan 8.230 nan 0.000 0.433 277 A N -0.066 122.583 122.820 -0.286 0.000 1.972 277 A HA -0.194 3.783 4.320 -0.573 0.000 0.219 277 A C 2.360 179.889 177.584 -0.091 0.000 1.169 277 A CA 1.384 53.303 52.037 -0.197 0.000 0.635 277 A CB -0.415 18.434 19.000 -0.251 0.000 0.810 277 A HN 0.319 nan 8.150 nan 0.000 0.446 278 R N -0.966 119.478 120.500 -0.093 0.000 2.061 278 R HA -0.117 3.880 4.340 -0.573 0.000 0.230 278 R C 2.252 178.507 176.300 -0.076 0.000 1.140 278 R CA 1.462 57.525 56.100 -0.061 0.000 0.940 278 R CB -0.366 29.901 30.300 -0.055 0.000 0.839 278 R HN 0.539 nan 8.270 nan 0.000 0.429 279 E N 0.970 121.109 120.200 -0.101 0.000 2.219 279 E HA -0.165 3.842 4.350 -0.573 0.000 0.198 279 E C 1.568 178.098 176.600 -0.118 0.000 0.998 279 E CA 1.113 57.448 56.400 -0.109 0.000 0.818 279 E CB -0.082 29.539 29.700 -0.132 0.000 0.741 279 E HN 0.274 nan 8.360 nan 0.000 0.477 280 L N -0.417 120.735 121.223 -0.119 0.000 2.509 280 L HA 0.069 4.066 4.340 -0.573 0.000 0.222 280 L C 2.232 179.000 176.870 -0.170 0.000 1.123 280 L CA 0.465 55.228 54.840 -0.129 0.000 0.856 280 L CB -0.078 41.959 42.059 -0.036 0.000 0.985 280 L HN 0.050 nan 8.230 nan 0.000 0.456 281 K N 0.394 120.733 120.400 -0.102 0.000 2.314 281 K HA -0.077 3.900 4.320 -0.573 0.000 0.198 281 K C 2.193 178.721 176.600 -0.120 0.000 1.045 281 K CA 0.310 56.536 56.287 -0.103 0.000 0.988 281 K CB 0.256 32.740 32.500 -0.026 0.000 0.783 281 K HN 0.075 nan 8.250 nan 0.000 0.484 282 R N 0.470 120.908 120.500 -0.104 0.000 2.096 282 R HA -0.062 3.934 4.340 -0.573 0.000 0.235 282 R C 1.921 178.160 176.300 -0.100 0.000 1.127 282 R CA 1.275 57.325 56.100 -0.084 0.000 0.968 282 R CB -0.029 30.228 30.300 -0.071 0.000 0.861 282 R HN 0.200 nan 8.270 nan 0.000 0.440 283 L N -0.459 120.676 121.223 -0.147 0.000 2.168 283 L HA 0.023 4.020 4.340 -0.573 0.000 0.203 283 L C -0.070 176.673 176.870 -0.212 0.000 1.078 283 L CA 0.726 55.475 54.840 -0.151 0.000 0.780 283 L CB -0.017 41.956 42.059 -0.144 0.000 0.939 283 L HN 0.163 nan 8.230 nan 0.000 0.451 284 N N -0.318 118.127 118.700 -0.425 0.000 2.804 284 N HA 0.184 4.581 4.740 -0.573 0.000 0.251 284 N C -2.292 172.837 175.510 -0.635 0.000 1.250 284 N CA -1.254 51.378 53.050 -0.696 0.000 0.820 284 N CB 0.690 38.254 38.487 -1.538 0.000 1.156 284 N HN -0.092 nan 8.380 nan 0.000 0.512 285 P HA -0.128 nan 4.420 nan 0.000 0.236 285 P C 0.512 177.826 177.300 0.024 0.000 1.177 285 P CA 0.952 64.010 63.100 -0.070 0.000 0.773 285 P CB 0.027 31.731 31.700 0.007 0.000 0.878 286 H N -3.205 115.860 119.070 -0.008 0.000 2.546 286 H HA -0.032 4.180 4.556 -0.572 0.000 0.277 286 H C 0.202 175.697 175.328 0.278 0.000 1.004 286 H CA -0.126 55.990 56.048 0.113 0.000 1.231 286 H CB -1.121 28.710 29.762 0.114 0.000 1.382 286 H HN 0.072 nan 8.280 nan 0.000 0.580 287 W N 4.589 125.797 121.300 -0.153 0.000 2.190 287 W HA 0.102 4.418 4.660 -0.574 0.000 0.330 287 W C 0.833 177.348 176.519 -0.007 0.000 1.299 287 W CA -0.948 56.349 57.345 -0.081 0.000 1.215 287 W CB 0.381 29.770 29.460 -0.119 0.000 1.147 287 W HN 0.264 nan 8.180 nan 0.000 0.563 288 D N 0.213 120.724 120.400 0.186 0.000 2.398 288 D HA 0.145 4.441 4.640 -0.573 0.000 0.247 288 D C 1.287 177.644 176.300 0.095 0.000 1.227 288 D CA -0.064 54.000 54.000 0.106 0.000 0.980 288 D CB 0.447 41.280 40.800 0.054 0.000 1.106 288 D HN 0.457 nan 8.370 nan 0.000 0.493 289 G N -0.540 108.301 108.800 0.067 0.000 2.408 289 G HA2 -0.291 3.325 3.960 -0.573 0.000 0.217 289 G HA3 -0.291 3.325 3.960 -0.573 0.000 0.217 289 G C 1.370 176.309 174.900 0.064 0.000 1.150 289 G CA 0.872 46.014 45.100 0.069 0.000 0.776 289 G HN 0.677 nan 8.290 nan 0.000 0.542 290 E N -0.469 119.743 120.200 0.020 0.000 2.107 290 E HA 0.070 4.076 4.350 -0.573 0.000 0.191 290 E C 2.315 178.882 176.600 -0.054 0.000 0.982 290 E CA 0.389 56.793 56.400 0.007 0.000 0.809 290 E CB -0.204 29.475 29.700 -0.034 0.000 0.756 290 E HN 0.367 nan 8.360 nan 0.000 0.459 291 M N 0.218 119.746 119.600 -0.120 0.000 2.460 291 M HA -0.073 4.063 4.480 -0.573 0.000 0.263 291 M C 1.404 177.606 176.300 -0.164 0.000 1.071 291 M CA 0.711 55.843 55.300 -0.279 0.000 1.096 291 M CB 0.169 32.461 32.600 -0.514 0.000 1.408 291 M HN 0.228 nan 8.290 nan 0.000 0.463 292 L N -1.330 119.923 121.223 0.051 0.000 2.034 292 L HA -0.207 3.789 4.340 -0.573 0.000 0.203 292 L C 2.396 179.330 176.870 0.107 0.000 1.074 292 L CA 1.345 56.283 54.840 0.163 0.000 0.748 292 L CB -1.013 41.155 42.059 0.182 0.000 0.905 292 L HN 0.247 nan 8.230 nan 0.000 0.439 293 Y N 0.604 120.923 120.300 0.032 0.000 2.114 293 Y HA -0.347 3.858 4.550 -0.574 0.000 0.282 293 Y C 2.729 178.636 175.900 0.012 0.000 1.165 293 Y CA 1.775 59.947 58.100 0.120 0.000 1.148 293 Y CB -0.203 38.304 38.460 0.079 0.000 0.972 293 Y HN 0.182 nan 8.280 nan 0.000 0.504 294 Q N 0.251 119.890 119.800 -0.267 0.000 2.079 294 Q HA -0.160 3.836 4.340 -0.573 0.000 0.200 294 Q C 2.148 177.928 176.000 -0.367 0.000 0.974 294 Q CA 1.576 57.017 55.803 -0.603 0.000 0.840 294 Q CB -0.297 27.779 28.738 -1.103 0.000 0.898 294 Q HN 0.605 nan 8.270 nan 0.000 0.430 295 E N 0.439 120.556 120.200 -0.138 0.000 2.106 295 E HA -0.063 3.943 4.350 -0.573 0.000 0.192 295 E C 1.849 178.474 176.600 0.042 0.000 0.984 295 E CA 0.993 57.481 56.400 0.146 0.000 0.806 295 E CB -0.080 29.791 29.700 0.285 0.000 0.750 295 E HN 0.287 nan 8.360 nan 0.000 0.458 296 A N 1.357 124.118 122.820 -0.098 0.000 1.969 296 A HA -0.164 3.812 4.320 -0.573 0.000 0.218 296 A C 2.196 179.719 177.584 -0.102 0.000 1.169 296 A CA 1.393 53.306 52.037 -0.206 0.000 0.635 296 A CB -0.406 18.324 19.000 -0.449 0.000 0.810 296 A HN 0.093 nan 8.150 nan 0.000 0.445 297 R N -0.057 120.334 120.500 -0.182 0.000 2.073 297 R HA -0.153 3.843 4.340 -0.573 0.000 0.234 297 R C 2.299 178.506 176.300 -0.156 0.000 1.134 297 R CA 1.889 57.761 56.100 -0.379 0.000 0.952 297 R CB -0.285 29.431 30.300 -0.975 0.000 0.850 297 R HN 0.521 nan 8.270 nan 0.000 0.433 298 K N 0.571 120.954 120.400 -0.029 0.000 2.063 298 K HA -0.164 3.813 4.320 -0.573 0.000 0.208 298 K C 2.109 178.930 176.600 0.368 0.000 1.048 298 K CA 1.696 58.094 56.287 0.185 0.000 0.928 298 K CB -0.217 32.461 32.500 0.297 0.000 0.713 298 K HN 0.315 nan 8.250 nan 0.000 0.442 299 I N 0.762 121.495 120.570 0.271 0.000 2.546 299 I HA -0.204 3.622 4.170 -0.573 0.000 0.255 299 I C 1.925 178.104 176.117 0.104 0.000 1.163 299 I CA 0.566 61.961 61.300 0.157 0.000 1.457 299 I CB 0.111 37.934 38.000 -0.294 0.000 1.092 299 I HN 0.182 nan 8.210 nan 0.000 0.434 300 L N 0.947 122.237 121.223 0.111 0.000 2.109 300 L HA 0.081 4.077 4.340 -0.573 0.000 0.207 300 L C 2.293 179.338 176.870 0.291 0.000 1.086 300 L CA 2.041 56.988 54.840 0.178 0.000 0.760 300 L CB -1.205 40.988 42.059 0.224 0.000 0.910 300 L HN 0.234 nan 8.230 nan 0.000 0.437 301 G N -0.949 108.001 108.800 0.250 0.000 2.421 301 G HA2 -0.269 3.348 3.960 -0.573 0.000 0.216 301 G HA3 -0.269 3.348 3.960 -0.573 0.000 0.216 301 G C 1.640 176.678 174.900 0.230 0.000 1.171 301 G CA 0.818 46.070 45.100 0.254 0.000 0.775 301 G HN 0.596 nan 8.290 nan 0.000 0.543 302 A N 0.642 123.597 122.820 0.225 0.000 1.892 302 A HA -0.075 3.902 4.320 -0.573 0.000 0.218 302 A C 2.176 179.699 177.584 -0.103 0.000 1.188 302 A CA 1.833 53.899 52.037 0.049 0.000 0.631 302 A CB -0.699 18.322 19.000 0.035 0.000 0.822 302 A HN 0.481 nan 8.150 nan 0.000 0.447 303 F N 0.691 120.591 119.950 -0.083 0.000 2.065 303 F HA -0.232 3.947 4.527 -0.580 0.000 0.298 303 F C 2.018 177.854 175.800 0.061 0.000 1.112 303 F CA 2.218 60.182 58.000 -0.060 0.000 1.212 303 F CB -0.262 38.739 39.000 0.001 0.000 0.975 303 F HN 0.204 nan 8.300 nan 0.000 0.476 304 I N 0.002 120.767 120.570 0.326 0.000 2.315 304 I HA -0.283 3.543 4.170 -0.573 0.000 0.248 304 I C 2.344 178.660 176.117 0.332 0.000 1.117 304 I CA 1.272 62.843 61.300 0.452 0.000 1.404 304 I CB -0.661 37.647 38.000 0.514 0.000 1.071 304 I HN 0.338 nan 8.210 nan 0.000 0.419 305 Q N 0.628 120.534 119.800 0.177 0.000 2.079 305 Q HA -0.139 3.858 4.340 -0.573 0.000 0.200 305 Q C 2.385 178.407 176.000 0.037 0.000 0.974 305 Q CA 1.386 57.287 55.803 0.164 0.000 0.840 305 Q CB -0.010 28.657 28.738 -0.117 0.000 0.898 305 Q HN 0.539 nan 8.270 nan 0.000 0.430 306 I N 0.482 120.847 120.570 -0.342 0.000 2.202 306 I HA -0.275 3.551 4.170 -0.573 0.000 0.242 306 I C 2.234 178.251 176.117 -0.166 0.000 1.091 306 I CA 1.095 62.140 61.300 -0.424 0.000 1.368 306 I CB -0.248 37.277 38.000 -0.791 0.000 1.058 306 I HN 0.183 nan 8.210 nan 0.000 0.410 307 I N 0.405 120.820 120.570 -0.257 0.000 2.179 307 I HA -0.266 3.561 4.170 -0.573 0.000 0.242 307 I C 2.596 178.694 176.117 -0.031 0.000 1.088 307 I CA 1.624 62.758 61.300 -0.276 0.000 1.357 307 I CB -0.711 36.911 38.000 -0.631 0.000 1.051 307 I HN 0.265 nan 8.210 nan 0.000 0.409 308 T N 0.947 115.689 114.554 0.313 0.000 2.665 308 T HA -0.215 3.791 4.350 -0.573 0.000 0.268 308 T C 1.633 176.495 174.700 0.270 0.000 1.035 308 T CA 1.806 64.194 62.100 0.480 0.000 1.151 308 T CB -0.408 68.844 68.868 0.641 0.000 0.862 308 T HN 0.145 nan 8.240 nan 0.000 0.438 309 F N 0.372 120.462 119.950 0.234 0.000 2.416 309 F HA 0.271 4.455 4.527 -0.572 0.000 0.296 309 F C 2.555 178.442 175.800 0.144 0.000 1.099 309 F CA 0.348 58.491 58.000 0.237 0.000 1.427 309 F CB -0.036 39.253 39.000 0.481 0.000 1.079 309 F HN -0.074 nan 8.300 nan 0.000 0.536 310 R N -0.348 120.292 120.500 0.233 0.000 2.189 310 R HA -0.008 3.988 4.340 -0.573 0.000 0.203 310 R C 0.745 177.053 176.300 0.013 0.000 1.012 310 R CA 1.134 57.311 56.100 0.129 0.000 1.015 310 R CB 0.138 30.494 30.300 0.094 0.000 0.938 310 R HN 0.119 nan 8.270 nan 0.000 0.472 311 D N -1.531 118.818 120.400 -0.084 0.000 2.482 311 D HA -0.027 4.269 4.640 -0.573 0.000 0.251 311 D C 0.927 177.022 176.300 -0.341 0.000 1.073 311 D CA 0.402 54.271 54.000 -0.219 0.000 0.892 311 D CB 0.035 40.640 40.800 -0.324 0.000 1.202 311 D HN 0.102 nan 8.370 nan 0.000 0.496 312 Y N 1.597 121.628 120.300 -0.448 0.000 2.222 312 Y HA 0.176 4.392 4.550 -0.557 0.000 0.290 312 Y C 2.031 177.862 175.900 -0.114 0.000 1.123 312 Y CA 0.851 58.755 58.100 -0.326 0.000 1.120 312 Y CB -0.498 37.849 38.460 -0.189 0.000 1.060 312 Y HN -0.233 nan 8.280 nan 0.000 0.508 313 L N 0.651 121.685 121.223 -0.315 0.000 2.043 313 L HA -0.200 3.796 4.340 -0.573 0.000 0.212 313 L C -0.583 176.114 176.870 -0.289 0.000 1.075 313 L CA 1.788 56.348 54.840 -0.466 0.000 0.752 313 L CB -1.818 39.894 42.059 -0.577 0.000 0.891 313 L HN 0.254 nan 8.230 nan 0.000 0.432 314 P HA -0.144 nan 4.420 nan 0.000 0.220 314 P C 1.585 178.822 177.300 -0.104 0.000 1.148 314 P CA 1.290 64.331 63.100 -0.099 0.000 0.803 314 P CB -0.085 31.584 31.700 -0.051 0.000 0.782 315 I N -5.653 114.844 120.570 -0.122 0.000 3.728 315 I HA 0.047 3.874 4.170 -0.573 0.000 0.307 315 I C 1.345 177.418 176.117 -0.074 0.000 1.276 315 I CA 0.422 61.653 61.300 -0.115 0.000 1.285 315 I CB -0.254 37.657 38.000 -0.148 0.000 1.038 315 I HN -0.247 nan 8.210 nan 0.000 0.445 316 V N 1.085 120.930 119.914 -0.116 0.000 2.521 316 V HA 0.029 3.805 4.120 -0.573 0.000 0.239 316 V C 2.318 178.319 176.094 -0.155 0.000 1.053 316 V CA 1.002 63.237 62.300 -0.108 0.000 1.073 316 V CB 0.000 31.612 31.823 -0.352 0.000 0.746 316 V HN 0.347 nan 8.190 nan 0.000 0.476 317 L N -0.101 121.019 121.223 -0.171 0.000 2.072 317 L HA 0.226 4.222 4.340 -0.573 0.000 0.205 317 L C 1.740 178.584 176.870 -0.042 0.000 1.079 317 L CA 1.278 56.062 54.840 -0.094 0.000 0.752 317 L CB -1.012 41.011 42.059 -0.059 0.000 0.906 317 L HN 0.591 nan 8.230 nan 0.000 0.436 318 G N -0.068 108.701 108.800 -0.051 0.000 2.527 318 G HA2 -0.372 3.244 3.960 -0.573 0.000 0.268 318 G HA3 -0.372 3.244 3.960 -0.573 0.000 0.268 318 G C 0.782 175.676 174.900 -0.010 0.000 1.175 318 G CA 0.236 45.316 45.100 -0.034 0.000 0.962 318 G HN 0.205 nan 8.290 nan 0.000 0.560 319 S N 1.117 116.813 115.700 -0.007 0.000 2.462 319 S HA -0.079 4.047 4.470 -0.573 0.000 0.243 319 S C 1.678 176.283 174.600 0.007 0.000 1.003 319 S CA 2.016 60.214 58.200 -0.003 0.000 0.970 319 S CB -0.184 63.014 63.200 -0.004 0.000 0.762 319 S HN 0.574 nan 8.310 nan 0.000 0.510 320 E N 0.219 120.441 120.200 0.037 0.000 2.479 320 E HA 0.164 4.170 4.350 -0.573 0.000 0.193 320 E C 1.527 178.201 176.600 0.122 0.000 1.049 320 E CA -0.071 56.382 56.400 0.088 0.000 0.870 320 E CB -0.164 29.649 29.700 0.188 0.000 0.944 320 E HN 0.482 nan 8.360 nan 0.000 0.492 321 M N 1.168 120.810 119.600 0.070 0.000 2.067 321 M HA -0.204 3.932 4.480 -0.573 0.000 0.260 321 M C 1.942 178.287 176.300 0.074 0.000 1.069 321 M CA 1.900 57.246 55.300 0.075 0.000 1.117 321 M CB -0.108 32.509 32.600 0.029 0.000 1.334 321 M HN -0.087 nan 8.290 nan 0.000 0.407 322 Q N -0.363 119.452 119.800 0.025 0.000 2.170 322 Q HA -0.219 3.778 4.340 -0.573 0.000 0.203 322 Q C 2.138 178.103 176.000 -0.058 0.000 0.976 322 Q CA 1.641 57.445 55.803 0.001 0.000 0.858 322 Q CB -0.385 28.343 28.738 -0.016 0.000 0.907 322 Q HN 0.588 nan 8.270 nan 0.000 0.433 323 K N -0.225 120.095 120.400 -0.134 0.000 2.057 323 K HA -0.162 3.815 4.320 -0.573 0.000 0.206 323 K C 1.076 177.393 176.600 -0.470 0.000 1.050 323 K CA 1.279 57.340 56.287 -0.378 0.000 0.935 323 K CB 0.078 32.265 32.500 -0.522 0.000 0.715 323 K HN 0.282 nan 8.250 nan 0.000 0.439 324 W N -0.038 121.278 121.300 0.026 0.000 2.866 324 W HA 0.272 4.592 4.660 -0.567 0.000 0.258 324 W C 0.210 176.768 176.519 0.066 0.000 1.183 324 W CA -0.722 56.648 57.345 0.041 0.000 1.451 324 W CB 0.813 30.305 29.460 0.054 0.000 0.959 324 W HN -0.179 nan 8.180 nan 0.000 0.622 325 I N 2.657 123.396 120.570 0.282 0.000 2.442 325 I HA 0.279 4.105 4.170 -0.573 0.000 0.279 325 I C -2.508 173.709 176.117 0.166 0.000 1.081 325 I CA -2.113 59.332 61.300 0.242 0.000 1.197 325 I CB -0.721 37.432 38.000 0.255 0.000 1.394 325 I HN -0.404 nan 8.210 nan 0.000 0.488 326 P HA 0.324 nan 4.420 nan 0.000 0.274 326 P C -2.367 175.001 177.300 0.114 0.000 1.246 326 P CA -1.118 62.030 63.100 0.080 0.000 0.795 326 P CB -0.219 31.502 31.700 0.036 0.000 1.006 327 P HA -0.040 nan 4.420 nan 0.000 0.269 327 P C -0.692 176.698 177.300 0.149 0.000 1.211 327 P CA 0.172 63.354 63.100 0.137 0.000 0.781 327 P CB 0.069 31.829 31.700 0.099 0.000 0.877 328 Y N 1.556 121.875 120.300 0.031 0.000 2.425 328 Y HA 0.073 4.280 4.550 -0.572 0.000 0.331 328 Y C 0.808 176.699 175.900 -0.015 0.000 1.157 328 Y CA 0.781 58.873 58.100 -0.012 0.000 1.372 328 Y CB 0.434 38.893 38.460 -0.001 0.000 1.253 328 Y HN 0.313 nan 8.280 nan 0.000 0.536 329 Q N 4.954 124.459 119.800 -0.491 0.000 2.805 329 Q HA 0.337 4.333 4.340 -0.573 0.000 0.360 329 Q C 0.216 175.898 176.000 -0.530 0.000 0.832 329 Q CA 0.152 55.724 55.803 -0.385 0.000 1.020 329 Q CB 0.633 29.253 28.738 -0.196 0.000 1.444 329 Q HN 1.121 nan 8.270 nan 0.000 0.391 330 G N 1.271 109.547 108.800 -0.873 0.000 2.542 330 G HA2 -0.339 3.277 3.960 -0.573 0.000 0.235 330 G HA3 -0.339 3.277 3.960 -0.573 0.000 0.235 330 G C -1.318 173.333 174.900 -0.414 0.000 1.286 330 G CA -0.268 44.527 45.100 -0.509 0.000 0.904 330 G HN 0.365 nan 8.290 nan 0.000 0.577 331 Y N 1.582 121.749 120.300 -0.221 0.000 2.485 331 Y HA 0.743 4.948 4.550 -0.575 0.000 0.345 331 Y C -0.467 175.382 175.900 -0.085 0.000 0.998 331 Y CA -1.157 56.882 58.100 -0.101 0.000 1.059 331 Y CB 2.099 40.545 38.460 -0.023 0.000 1.234 331 Y HN 0.701 nan 8.280 nan 0.000 0.461 332 N N 4.294 122.500 118.700 -0.823 0.000 2.531 332 N HA 0.088 4.485 4.740 -0.573 0.000 0.268 332 N C -0.265 174.703 175.510 -0.902 0.000 1.023 332 N CA -0.326 52.330 53.050 -0.656 0.000 0.896 332 N CB 0.799 39.091 38.487 -0.325 0.000 1.233 332 N HN 0.950 nan 8.380 nan 0.000 0.512 333 N N 1.339 119.612 118.700 -0.711 0.000 2.550 333 N HA -0.044 4.352 4.740 -0.573 0.000 0.186 333 N C 0.240 175.659 175.510 -0.151 0.000 1.110 333 N CA 0.535 53.367 53.050 -0.364 0.000 0.912 333 N CB 0.145 38.591 38.487 -0.067 0.000 0.968 333 N HN 0.149 nan 8.380 nan 0.000 0.448 334 S N -0.334 115.269 115.700 -0.160 0.000 2.556 334 S HA 0.153 4.279 4.470 -0.573 0.000 0.216 334 S C 0.424 174.995 174.600 -0.049 0.000 0.970 334 S CA -0.513 57.641 58.200 -0.076 0.000 0.912 334 S CB 0.498 63.655 63.200 -0.072 0.000 0.790 334 S HN 0.241 nan 8.310 nan 0.000 0.504 335 V N 2.678 122.550 119.914 -0.069 0.000 2.509 335 V HA 0.289 4.065 4.120 -0.573 0.000 0.284 335 V C -0.544 175.576 176.094 0.043 0.000 1.047 335 V CA -0.864 61.426 62.300 -0.017 0.000 0.952 335 V CB 1.398 33.199 31.823 -0.036 0.000 0.988 335 V HN 0.118 nan 8.190 nan 0.000 0.469 336 D N 8.258 128.700 120.400 0.071 0.000 2.358 336 D HA 0.226 4.522 4.640 -0.573 0.000 0.258 336 D C -1.732 174.629 176.300 0.101 0.000 1.223 336 D CA -1.509 52.555 54.000 0.105 0.000 0.886 336 D CB 1.890 42.774 40.800 0.140 0.000 1.120 336 D HN 0.463 nan 8.370 nan 0.000 0.482 337 P HA 0.079 nan 4.420 nan 0.000 0.255 337 P C 0.027 177.268 177.300 -0.098 0.000 1.248 337 P CA 0.006 63.138 63.100 0.054 0.000 0.807 337 P CB 0.568 32.374 31.700 0.176 0.000 1.150 338 R N 0.268 120.739 120.500 -0.049 0.000 2.531 338 R HA 0.346 4.342 4.340 -0.573 0.000 0.273 338 R C 0.557 176.796 176.300 -0.102 0.000 1.070 338 R CA -0.794 55.250 56.100 -0.094 0.000 1.112 338 R CB 0.527 30.817 30.300 -0.017 0.000 1.049 338 R HN -0.045 nan 8.270 nan 0.000 0.508 339 I N 2.334 122.818 120.570 -0.144 0.000 2.452 339 I HA 0.006 3.833 4.170 -0.573 0.000 0.287 339 I C 0.876 176.897 176.117 -0.161 0.000 1.079 339 I CA 0.222 61.409 61.300 -0.188 0.000 1.387 339 I CB 0.277 38.215 38.000 -0.105 0.000 1.404 339 I HN 0.707 nan 8.210 nan 0.000 0.522 340 S N 4.804 120.315 115.700 -0.315 0.000 2.603 340 S HA 0.131 4.257 4.470 -0.573 0.000 0.268 340 S C 1.051 175.450 174.600 -0.335 0.000 1.317 340 S CA -0.516 57.386 58.200 -0.497 0.000 1.012 340 S CB 1.425 63.756 63.200 -1.447 0.000 0.926 340 S HN 0.620 nan 8.310 nan 0.000 0.539 341 N N 0.869 119.431 118.700 -0.229 0.000 2.043 341 N HA -0.150 4.246 4.740 -0.573 0.000 0.193 341 N C 1.726 177.221 175.510 -0.024 0.000 1.037 341 N CA 1.769 54.805 53.050 -0.024 0.000 0.851 341 N CB -1.069 37.475 38.487 0.095 0.000 1.027 341 N HN 0.559 nan 8.380 nan 0.000 0.422 342 V N 0.235 119.998 119.914 -0.252 0.000 2.453 342 V HA -0.224 3.553 4.120 -0.573 0.000 0.252 342 V C 2.026 177.997 176.094 -0.206 0.000 1.068 342 V CA 1.802 63.872 62.300 -0.383 0.000 1.070 342 V CB -0.802 30.333 31.823 -1.147 0.000 0.664 342 V HN 0.366 nan 8.190 nan 0.000 0.461 343 F N 1.956 121.666 119.950 -0.401 0.000 2.134 343 F HA -0.164 4.023 4.527 -0.567 0.000 0.299 343 F C 2.678 178.422 175.800 -0.093 0.000 1.097 343 F CA 2.251 60.098 58.000 -0.255 0.000 1.264 343 F CB -0.812 37.998 39.000 -0.317 0.000 1.001 343 F HN 0.382 nan 8.300 nan 0.000 0.479 344 T N -2.285 112.218 114.554 -0.085 0.000 3.139 344 T HA -0.177 3.829 4.350 -0.573 0.000 0.267 344 T C 1.371 175.723 174.700 -0.579 0.000 1.164 344 T CA 1.392 63.303 62.100 -0.314 0.000 1.075 344 T CB -0.961 67.675 68.868 -0.386 0.000 0.904 344 T HN 0.305 nan 8.240 nan 0.000 0.540 345 F N 0.105 119.956 119.950 -0.165 0.000 2.619 345 F HA 0.590 4.789 4.527 -0.546 0.000 0.281 345 F C 2.635 178.454 175.800 0.032 0.000 1.065 345 F CA -0.111 57.853 58.000 -0.060 0.000 1.304 345 F CB -0.523 38.431 39.000 -0.077 0.000 1.059 345 F HN 0.176 nan 8.300 nan 0.000 0.648 346 A N 0.082 122.947 122.820 0.075 0.000 1.902 346 A HA -0.204 3.772 4.320 -0.573 0.000 0.217 346 A C 1.900 179.589 177.584 0.174 0.000 1.181 346 A CA 1.335 53.404 52.037 0.054 0.000 0.623 346 A CB -1.071 17.889 19.000 -0.067 0.000 0.818 346 A HN 0.352 nan 8.150 nan 0.000 0.443 347 F N 0.826 120.612 119.950 -0.274 0.000 2.748 347 F HA 0.094 4.431 4.527 -0.316 0.000 0.299 347 F C 1.888 177.570 175.800 -0.197 0.000 1.154 347 F CA 0.127 58.014 58.000 -0.188 0.000 1.446 347 F CB -0.444 38.152 39.000 -0.674 0.000 1.112 347 F HN 0.193 nan 8.300 nan 0.000 0.584 348 R N -0.321 120.153 120.500 -0.043 0.000 2.339 348 R HA -0.143 3.854 4.340 -0.573 0.000 0.199 348 R C 2.050 178.301 176.300 -0.081 0.000 1.018 348 R CA 0.886 56.852 56.100 -0.222 0.000 1.036 348 R CB -0.841 29.507 30.300 0.080 0.000 0.899 348 R HN 0.449 nan 8.270 nan 0.000 0.473 349 F N -0.620 119.361 119.950 0.053 0.000 2.225 349 F HA -0.092 4.124 4.527 -0.518 0.000 0.302 349 F C 1.892 177.716 175.800 0.040 0.000 1.068 349 F CA 1.169 59.194 58.000 0.041 0.000 1.327 349 F CB -0.833 38.200 39.000 0.055 0.000 1.043 349 F HN -0.113 nan 8.300 nan 0.000 0.506 350 G N -0.415 107.754 108.800 -1.051 0.000 2.470 350 G HA2 -0.251 3.365 3.960 -0.573 0.000 0.220 350 G HA3 -0.251 3.365 3.960 -0.573 0.000 0.220 350 G C 1.155 175.934 174.900 -0.201 0.000 1.121 350 G CA 0.940 45.589 45.100 -0.753 0.000 0.766 350 G HN 0.641 nan 8.290 nan 0.000 0.553 351 H N -0.298 118.751 119.070 -0.033 0.000 2.518 351 H HA 0.058 4.282 4.556 -0.553 0.000 0.292 351 H C 2.168 177.599 175.328 0.171 0.000 1.068 351 H CA 0.734 56.851 56.048 0.115 0.000 1.275 351 H CB 0.024 29.942 29.762 0.260 0.000 1.375 351 H HN 0.356 nan 8.280 nan 0.000 0.563 352 M N -0.138 119.616 119.600 0.257 0.000 2.431 352 M HA 0.040 4.177 4.480 -0.573 0.000 0.237 352 M C 0.520 176.936 176.300 0.194 0.000 1.130 352 M CA 0.684 56.117 55.300 0.222 0.000 1.002 352 M CB 0.552 33.248 32.600 0.160 0.000 1.524 352 M HN 0.279 nan 8.290 nan 0.000 0.482 353 E N 0.311 120.612 120.200 0.167 0.000 2.526 353 E HA 0.131 4.138 4.350 -0.573 0.000 0.208 353 E C -0.121 176.572 176.600 0.156 0.000 0.997 353 E CA -0.105 56.398 56.400 0.171 0.000 0.961 353 E CB 1.065 30.863 29.700 0.163 0.000 1.030 353 E HN 0.173 nan 8.360 nan 0.000 0.483 354 V N 4.420 124.429 119.914 0.158 0.000 2.455 354 V HA 0.168 3.945 4.120 -0.573 0.000 0.273 354 V C -1.995 174.202 176.094 0.172 0.000 1.045 354 V CA -1.506 60.885 62.300 0.152 0.000 0.976 354 V CB 0.292 32.215 31.823 0.166 0.000 0.993 354 V HN 0.028 nan 8.190 nan 0.000 0.475 355 P HA 0.250 nan 4.420 nan 0.000 0.281 355 P C 0.840 178.222 177.300 0.135 0.000 1.264 355 P CA -0.530 62.661 63.100 0.152 0.000 0.824 355 P CB 1.289 33.065 31.700 0.126 0.000 1.092 356 S N -0.217 115.566 115.700 0.138 0.000 2.382 356 S HA -0.047 4.080 4.470 -0.573 0.000 0.228 356 S C 0.931 175.574 174.600 0.072 0.000 1.027 356 S CA 1.289 59.557 58.200 0.113 0.000 0.991 356 S CB -1.386 61.882 63.200 0.114 0.000 0.823 356 S HN 0.752 nan 8.310 nan 0.000 0.469 357 T N -1.085 113.504 114.554 0.058 0.000 2.932 357 T HA 0.737 4.743 4.350 -0.573 0.000 0.289 357 T C -0.890 173.817 174.700 0.011 0.000 1.039 357 T CA -0.864 61.249 62.100 0.022 0.000 1.024 357 T CB 1.905 70.789 68.868 0.027 0.000 1.090 357 T HN 0.025 nan 8.240 nan 0.000 0.496 358 V N 2.844 122.744 119.914 -0.022 0.000 2.444 358 V HA 0.617 4.393 4.120 -0.573 0.000 0.294 358 V C 0.217 176.296 176.094 -0.025 0.000 1.022 358 V CA -0.710 61.576 62.300 -0.025 0.000 0.850 358 V CB 1.564 33.354 31.823 -0.055 0.000 0.992 358 V HN 1.245 nan 8.190 nan 0.000 0.426 359 S N 5.141 120.838 115.700 -0.005 0.000 2.681 359 S HA 0.810 4.936 4.470 -0.573 0.000 0.299 359 S C -0.449 174.144 174.600 -0.011 0.000 1.113 359 S CA -0.952 57.249 58.200 0.003 0.000 1.013 359 S CB 2.154 65.367 63.200 0.022 0.000 1.076 359 S HN 0.670 nan 8.310 nan 0.000 0.534 360 R N 0.790 121.297 120.500 0.011 0.000 2.500 360 R HA 0.527 4.524 4.340 -0.573 0.000 0.299 360 R C -1.694 174.627 176.300 0.035 0.000 1.038 360 R CA -0.421 55.672 56.100 -0.011 0.000 0.903 360 R CB 0.702 31.035 30.300 0.055 0.000 1.177 360 R HN 0.735 nan 8.270 nan 0.000 0.455 361 L N 3.357 124.519 121.223 -0.101 0.000 2.331 361 L HA 0.416 4.412 4.340 -0.573 0.000 0.275 361 L C 0.300 177.066 176.870 -0.173 0.000 1.022 361 L CA -0.953 53.820 54.840 -0.111 0.000 0.812 361 L CB 1.581 43.492 42.059 -0.247 0.000 1.257 361 L HN 0.685 nan 8.230 nan 0.000 0.435 362 D N 0.402 120.790 120.400 -0.020 0.000 2.478 362 D HA 0.026 4.322 4.640 -0.573 0.000 0.269 362 D C 0.427 176.633 176.300 -0.158 0.000 1.232 362 D CA -0.409 53.615 54.000 0.039 0.000 1.059 362 D CB 0.596 41.552 40.800 0.260 0.000 1.104 362 D HN 0.543 nan 8.370 nan 0.000 0.566 363 E N -1.072 119.081 120.200 -0.079 0.000 2.515 363 E HA -0.062 3.945 4.350 -0.573 0.000 0.201 363 E C 0.148 176.700 176.600 -0.080 0.000 1.071 363 E CA 0.328 56.668 56.400 -0.100 0.000 0.880 363 E CB -0.159 29.523 29.700 -0.030 0.000 0.828 363 E HN 0.298 nan 8.360 nan 0.000 0.540 364 N N -0.031 118.608 118.700 -0.101 0.000 2.282 364 N HA 0.053 4.449 4.740 -0.573 0.000 0.240 364 N C -0.772 174.540 175.510 -0.330 0.000 1.182 364 N CA -0.129 52.855 53.050 -0.111 0.000 0.874 364 N CB 0.270 38.781 38.487 0.040 0.000 1.126 364 N HN 0.149 nan 8.380 nan 0.000 0.516 365 Y N -0.230 119.718 120.300 -0.586 0.000 3.825 365 Y HA -0.290 3.915 4.550 -0.574 0.000 0.221 365 Y C 0.344 176.087 175.900 -0.262 0.000 1.195 365 Y CA 0.614 58.384 58.100 -0.551 0.000 1.699 365 Y CB -1.331 36.524 38.460 -1.009 0.000 1.531 365 Y HN 0.147 nan 8.280 nan 0.000 0.640 366 Q N 0.269 120.030 119.800 -0.066 0.000 2.297 366 Q HA 0.431 4.428 4.340 -0.573 0.000 0.268 366 Q C -2.300 173.716 176.000 0.027 0.000 1.045 366 Q CA -2.025 53.782 55.803 0.007 0.000 0.861 366 Q CB 1.581 30.333 28.738 0.024 0.000 1.344 366 Q HN -0.116 nan 8.270 nan 0.000 0.452 367 P HA -0.089 nan 4.420 nan 0.000 0.265 367 P C -0.667 176.701 177.300 0.113 0.000 1.187 367 P CA 0.334 63.474 63.100 0.066 0.000 0.766 367 P CB 0.264 31.988 31.700 0.041 0.000 0.820 368 W N 5.176 126.442 121.300 -0.056 0.000 2.120 368 W HA 0.465 4.783 4.660 -0.570 0.000 0.371 368 W C 0.616 177.113 176.519 -0.036 0.000 0.865 368 W CA 1.121 58.434 57.345 -0.053 0.000 1.529 368 W CB -0.335 29.086 29.460 -0.065 0.000 1.623 368 W HN 0.824 nan 8.180 nan 0.000 0.325 369 G N 5.043 113.678 108.800 -0.275 0.000 2.615 369 G HA2 -0.275 3.341 3.960 -0.573 0.000 0.218 369 G HA3 -0.275 3.341 3.960 -0.573 0.000 0.218 369 G C -1.391 173.406 174.900 -0.172 0.000 1.339 369 G CA -0.298 44.589 45.100 -0.356 0.000 0.884 369 G HN 0.285 nan 8.290 nan 0.000 0.559 370 P HA 0.130 nan 4.420 nan 0.000 0.221 370 P C 0.814 178.084 177.300 -0.050 0.000 1.155 370 P CA 1.538 64.585 63.100 -0.089 0.000 0.812 370 P CB 0.107 31.754 31.700 -0.088 0.000 0.801 371 E N -0.591 119.582 120.200 -0.045 0.000 2.609 371 E HA 0.365 4.371 4.350 -0.573 0.000 0.208 371 E C 1.384 177.992 176.600 0.014 0.000 1.013 371 E CA -0.291 56.102 56.400 -0.011 0.000 1.093 371 E CB 0.246 29.945 29.700 -0.002 0.000 1.129 371 E HN 0.070 nan 8.360 nan 0.000 0.450 372 A N 1.797 124.632 122.820 0.026 0.000 1.881 372 A HA -0.259 3.718 4.320 -0.573 0.000 0.219 372 A C 1.409 179.022 177.584 0.047 0.000 1.215 372 A CA 1.367 53.449 52.037 0.075 0.000 0.648 372 A CB -0.195 18.847 19.000 0.071 0.000 0.832 372 A HN 0.328 nan 8.150 nan 0.000 0.455 373 E N 0.196 120.409 120.200 0.023 0.000 2.001 373 E HA 0.466 4.473 4.350 -0.573 0.000 0.279 373 E C -1.237 175.355 176.600 -0.013 0.000 1.045 373 E CA -0.336 56.069 56.400 0.009 0.000 0.833 373 E CB 0.130 29.841 29.700 0.018 0.000 1.077 373 E HN 0.455 nan 8.360 nan 0.000 0.397 374 L N 6.424 127.623 121.223 -0.039 0.000 2.289 374 L HA 0.416 4.413 4.340 -0.573 0.000 0.285 374 L C -2.101 174.710 176.870 -0.098 0.000 1.049 374 L CA -2.478 52.313 54.840 -0.082 0.000 0.804 374 L CB 1.144 43.128 42.059 -0.125 0.000 1.195 374 L HN 0.415 nan 8.230 nan 0.000 0.428 375 P HA -0.090 nan 4.420 nan 0.000 0.262 375 P C 0.512 177.676 177.300 -0.228 0.000 1.182 375 P CA -0.056 62.973 63.100 -0.119 0.000 0.761 375 P CB 0.637 32.262 31.700 -0.125 0.000 0.795 376 L N 4.620 125.754 121.223 -0.148 0.000 2.265 376 L HA -0.180 3.817 4.340 -0.573 0.000 0.215 376 L C 2.059 178.578 176.870 -0.585 0.000 1.117 376 L CA 1.901 56.589 54.840 -0.253 0.000 0.782 376 L CB -1.042 40.971 42.059 -0.078 0.000 0.914 376 L HN 0.521 nan 8.230 nan 0.000 0.441 377 H N -2.666 116.176 119.070 -0.381 0.000 2.502 377 H HA -0.007 4.204 4.556 -0.575 0.000 0.283 377 H C 1.863 176.995 175.328 -0.327 0.000 1.015 377 H CA 1.188 57.008 56.048 -0.379 0.000 1.298 377 H CB -0.928 28.889 29.762 0.092 0.000 1.411 377 H HN 0.374 nan 8.280 nan 0.000 0.556 378 T N -1.638 112.435 114.554 -0.802 0.000 3.194 378 T HA 0.137 4.143 4.350 -0.573 0.000 0.251 378 T C 1.213 175.716 174.700 -0.328 0.000 1.132 378 T CA 0.211 62.000 62.100 -0.518 0.000 1.028 378 T CB -0.320 68.258 68.868 -0.483 0.000 0.976 378 T HN 0.456 nan 8.240 nan 0.000 0.535 379 L N -0.830 120.117 121.223 -0.460 0.000 2.701 379 L HA 0.456 4.453 4.340 -0.573 0.000 0.238 379 L C -0.239 176.484 176.870 -0.246 0.000 1.106 379 L CA -0.542 54.080 54.840 -0.363 0.000 0.898 379 L CB 0.088 41.927 42.059 -0.368 0.000 1.188 379 L HN 0.174 nan 8.230 nan 0.000 0.508 380 F N 0.876 120.861 119.950 0.057 0.000 2.541 380 F HA 0.150 4.329 4.527 -0.579 0.000 0.378 380 F C 0.578 176.418 175.800 0.067 0.000 1.068 380 F CA -0.707 57.304 58.000 0.019 0.000 1.199 380 F CB -0.835 38.321 39.000 0.260 0.000 1.091 380 F HN -0.063 nan 8.300 nan 0.000 0.555 381 F N 0.850 120.905 119.950 0.176 0.000 3.027 381 F HA -0.304 3.886 4.527 -0.561 0.000 0.276 381 F C 0.376 176.169 175.800 -0.012 0.000 0.967 381 F CA 0.112 58.145 58.000 0.054 0.000 0.929 381 F CB -1.306 37.724 39.000 0.050 0.000 0.873 381 F HN 0.524 nan 8.300 nan 0.000 0.787 382 N N 0.841 119.557 118.700 0.026 0.000 2.621 382 N HA 0.289 4.685 4.740 -0.573 0.000 0.237 382 N C 0.799 176.226 175.510 -0.139 0.000 0.997 382 N CA 0.408 53.423 53.050 -0.058 0.000 0.918 382 N CB 1.005 39.383 38.487 -0.182 0.000 1.122 382 N HN 0.271 nan 8.380 nan 0.000 0.510 383 T N -0.719 113.771 114.554 -0.107 0.000 3.022 383 T HA 0.025 4.031 4.350 -0.573 0.000 0.250 383 T C 1.740 176.362 174.700 -0.130 0.000 1.060 383 T CA -0.354 61.617 62.100 -0.215 0.000 1.013 383 T CB -0.247 68.367 68.868 -0.422 0.000 0.982 383 T HN 0.627 nan 8.240 nan 0.000 0.508 384 W N 2.116 123.337 121.300 -0.132 0.000 2.436 384 W HA 0.140 4.458 4.660 -0.570 0.000 0.284 384 W C 1.224 177.709 176.519 -0.057 0.000 1.225 384 W CA -0.129 57.155 57.345 -0.101 0.000 1.271 384 W CB -0.600 28.805 29.460 -0.093 0.000 1.114 384 W HN 0.023 nan 8.180 nan 0.000 0.559 385 R N 1.775 121.757 120.500 -0.864 0.000 2.328 385 R HA -0.050 3.947 4.340 -0.573 0.000 0.207 385 R C 1.940 178.050 176.300 -0.317 0.000 1.056 385 R CA 1.457 57.075 56.100 -0.802 0.000 1.016 385 R CB -0.539 29.243 30.300 -0.862 0.000 0.872 385 R HN 0.667 nan 8.270 nan 0.000 0.471 386 I N -4.529 115.927 120.570 -0.191 0.000 3.971 386 I HA 0.122 3.949 4.170 -0.573 0.000 0.303 386 I C 1.485 177.592 176.117 -0.016 0.000 1.233 386 I CA 0.144 61.397 61.300 -0.078 0.000 1.346 386 I CB -0.076 37.910 38.000 -0.025 0.000 1.273 386 I HN -0.222 nan 8.210 nan 0.000 0.448 387 I N 2.102 122.631 120.570 -0.069 0.000 2.353 387 I HA -0.087 3.740 4.170 -0.573 0.000 0.248 387 I C 2.215 178.396 176.117 0.106 0.000 1.119 387 I CA 1.411 62.698 61.300 -0.021 0.000 1.417 387 I CB -0.162 37.828 38.000 -0.016 0.000 1.078 387 I HN 0.136 nan 8.210 nan 0.000 0.421 388 K N -0.776 119.699 120.400 0.124 0.000 2.367 388 K HA 0.122 4.098 4.320 -0.573 0.000 0.195 388 K C 0.207 176.929 176.600 0.204 0.000 1.060 388 K CA 0.415 56.818 56.287 0.194 0.000 1.022 388 K CB 0.350 33.034 32.500 0.307 0.000 0.894 388 K HN 0.076 nan 8.250 nan 0.000 0.540 389 D N 0.033 120.515 120.400 0.136 0.000 3.008 389 D HA 0.224 4.520 4.640 -0.573 0.000 0.312 389 D C 0.424 176.824 176.300 0.167 0.000 1.361 389 D CA 0.160 54.279 54.000 0.198 0.000 0.858 389 D CB 0.163 41.003 40.800 0.067 0.000 1.098 389 D HN 0.318 nan 8.370 nan 0.000 0.482 390 G N -0.338 108.539 108.800 0.128 0.000 2.184 390 G HA2 0.105 3.721 3.960 -0.573 0.000 0.206 390 G HA3 0.105 3.721 3.960 -0.573 0.000 0.206 390 G C 0.909 175.722 174.900 -0.144 0.000 0.995 390 G CA 0.024 45.088 45.100 -0.060 0.000 0.651 390 G HN 1.123 nan 8.290 nan 0.000 0.511 391 G N -0.295 108.479 108.800 -0.042 0.000 2.642 391 G HA2 0.015 3.631 3.960 -0.573 0.000 0.231 391 G HA3 0.015 3.631 3.960 -0.573 0.000 0.231 391 G C 0.929 175.806 174.900 -0.038 0.000 1.338 391 G CA 0.702 45.808 45.100 0.011 0.000 0.883 391 G HN 1.762 nan 8.290 nan 0.000 0.570 392 I N -3.007 117.552 120.570 -0.018 0.000 3.968 392 I HA 0.376 4.202 4.170 -0.573 0.000 0.328 392 I C 1.431 177.492 176.117 -0.093 0.000 1.290 392 I CA 1.211 62.488 61.300 -0.038 0.000 1.163 392 I CB 0.229 38.235 38.000 0.010 0.000 1.024 392 I HN 0.317 nan 8.210 nan 0.000 0.413 393 D N 3.381 123.717 120.400 -0.106 0.000 2.117 393 D HA -0.087 4.209 4.640 -0.573 0.000 0.197 393 D C -0.614 175.538 176.300 -0.247 0.000 0.987 393 D CA 1.694 55.615 54.000 -0.132 0.000 0.829 393 D CB -0.992 39.768 40.800 -0.066 0.000 0.961 393 D HN 0.393 nan 8.370 nan 0.000 0.460 394 P HA -0.043 nan 4.420 nan 0.000 0.230 394 P C 1.058 178.189 177.300 -0.283 0.000 1.158 394 P CA 0.852 63.678 63.100 -0.457 0.000 0.769 394 P CB 0.177 31.378 31.700 -0.832 0.000 0.807 395 L N -1.469 119.634 121.223 -0.200 0.000 2.316 395 L HA 0.043 4.039 4.340 -0.573 0.000 0.207 395 L C 2.525 179.361 176.870 -0.057 0.000 1.070 395 L CA 0.405 55.177 54.840 -0.113 0.000 0.820 395 L CB -0.749 41.259 42.059 -0.086 0.000 0.992 395 L HN -0.277 nan 8.230 nan 0.000 0.466 396 V N 0.208 120.095 119.914 -0.045 0.000 2.594 396 V HA -0.264 3.512 4.120 -0.573 0.000 0.253 396 V C 2.600 178.709 176.094 0.024 0.000 1.069 396 V CA 1.696 64.009 62.300 0.022 0.000 1.082 396 V CB -0.630 31.206 31.823 0.022 0.000 0.680 396 V HN 0.382 nan 8.190 nan 0.000 0.469 397 R N -0.053 120.389 120.500 -0.095 0.000 2.090 397 R HA -0.056 3.941 4.340 -0.573 0.000 0.228 397 R C 2.389 178.656 176.300 -0.055 0.000 1.110 397 R CA 1.250 57.226 56.100 -0.207 0.000 0.973 397 R CB -0.532 29.422 30.300 -0.578 0.000 0.869 397 R HN 0.564 nan 8.270 nan 0.000 0.440 398 G N 0.557 109.326 108.800 -0.052 0.000 2.408 398 G HA2 -0.202 3.415 3.960 -0.573 0.000 0.217 398 G HA3 -0.202 3.415 3.960 -0.573 0.000 0.217 398 G C 1.379 176.325 174.900 0.077 0.000 1.150 398 G CA 0.280 45.390 45.100 0.016 0.000 0.776 398 G HN 0.166 nan 8.290 nan 0.000 0.542 399 L N -0.077 121.186 121.223 0.068 0.000 2.012 399 L HA -0.084 3.913 4.340 -0.573 0.000 0.210 399 L C 2.871 179.806 176.870 0.109 0.000 1.073 399 L CA 0.889 55.771 54.840 0.070 0.000 0.748 399 L CB -0.370 41.722 42.059 0.055 0.000 0.891 399 L HN 0.204 nan 8.230 nan 0.000 0.431 400 L N -0.962 120.384 121.223 0.204 0.000 2.109 400 L HA -0.080 3.916 4.340 -0.573 0.000 0.207 400 L C 2.629 179.748 176.870 0.415 0.000 1.086 400 L CA 1.003 56.025 54.840 0.303 0.000 0.760 400 L CB -0.614 41.740 42.059 0.492 0.000 0.910 400 L HN 0.193 nan 8.230 nan 0.000 0.437 401 A N -1.307 121.764 122.820 0.419 0.000 2.095 401 A HA 0.086 4.063 4.320 -0.573 0.000 0.212 401 A C 0.984 178.705 177.584 0.228 0.000 1.162 401 A CA 0.444 52.704 52.037 0.373 0.000 0.753 401 A CB 0.165 19.370 19.000 0.342 0.000 0.840 401 A HN 0.030 nan 8.150 nan 0.000 0.468 402 K N 1.338 121.841 120.400 0.172 0.000 2.164 402 K HA 0.320 4.296 4.320 -0.573 0.000 0.258 402 K C -1.107 175.565 176.600 0.120 0.000 0.951 402 K CA -0.795 55.568 56.287 0.127 0.000 0.844 402 K CB 0.955 33.513 32.500 0.097 0.000 1.099 402 K HN 0.125 nan 8.250 nan 0.000 0.435 403 N N 0.752 119.518 118.700 0.110 0.000 2.482 403 N HA 0.067 4.464 4.740 -0.573 0.000 0.260 403 N C 0.055 175.637 175.510 0.121 0.000 1.236 403 N CA 0.168 53.285 53.050 0.111 0.000 0.938 403 N CB 0.782 39.326 38.487 0.095 0.000 1.128 403 N HN 0.548 nan 8.380 nan 0.000 0.448 404 S N 0.317 116.105 115.700 0.148 0.000 2.713 404 S HA 0.293 4.419 4.470 -0.573 0.000 0.277 404 S C 0.152 174.845 174.600 0.155 0.000 1.168 404 S CA -0.829 57.471 58.200 0.166 0.000 0.994 404 S CB 1.384 64.724 63.200 0.234 0.000 1.054 404 S HN 0.468 nan 8.310 nan 0.000 0.555 405 K N 0.324 120.821 120.400 0.161 0.000 2.322 405 K HA 0.272 4.248 4.320 -0.573 0.000 0.283 405 K C -0.872 175.818 176.600 0.150 0.000 1.042 405 K CA -0.417 55.957 56.287 0.146 0.000 0.958 405 K CB 0.253 32.851 32.500 0.164 0.000 0.984 405 K HN 0.631 nan 8.250 nan 0.000 0.473 406 L N 5.708 126.994 121.223 0.105 0.000 2.290 406 L HA 0.172 4.168 4.340 -0.573 0.000 0.284 406 L C 0.243 177.158 176.870 0.074 0.000 1.078 406 L CA -0.490 54.407 54.840 0.095 0.000 0.815 406 L CB 1.001 43.093 42.059 0.055 0.000 1.162 406 L HN 0.726 nan 8.230 nan 0.000 0.435 407 M N 5.858 125.520 119.600 0.104 0.000 2.284 407 M HA 0.012 4.148 4.480 -0.573 0.000 0.351 407 M C -0.769 175.545 176.300 0.024 0.000 1.443 407 M CA 0.921 56.267 55.300 0.077 0.000 1.031 407 M CB -0.144 32.519 32.600 0.105 0.000 1.893 407 M HN 0.647 nan 8.290 nan 0.000 0.456 408 N N 3.639 122.332 118.700 -0.012 0.000 2.225 408 N HA 0.250 4.646 4.740 -0.573 0.000 0.298 408 N C 0.045 175.533 175.510 -0.036 0.000 1.076 408 N CA -0.289 52.737 53.050 -0.041 0.000 0.792 408 N CB 1.609 40.037 38.487 -0.098 0.000 1.498 408 N HN 0.661 nan 8.380 nan 0.000 0.474 409 Q N 0.750 120.533 119.800 -0.028 0.000 2.083 409 Q HA 0.048 4.045 4.340 -0.573 0.000 0.198 409 Q C 0.744 176.738 176.000 -0.010 0.000 0.969 409 Q CA 1.152 56.943 55.803 -0.020 0.000 0.838 409 Q CB 0.161 28.890 28.738 -0.016 0.000 0.900 409 Q HN 0.523 nan 8.270 nan 0.000 0.436 410 N N 0.605 119.292 118.700 -0.023 0.000 2.494 410 N HA -0.022 4.374 4.740 -0.573 0.000 0.182 410 N C -0.350 175.143 175.510 -0.027 0.000 1.076 410 N CA 0.835 53.878 53.050 -0.012 0.000 0.908 410 N CB 0.376 38.852 38.487 -0.018 0.000 0.967 410 N HN 0.131 nan 8.380 nan 0.000 0.449 411 K N 0.250 120.582 120.400 -0.112 0.000 2.723 411 K HA 0.327 4.303 4.320 -0.573 0.000 0.229 411 K C 0.342 176.877 176.600 -0.107 0.000 1.022 411 K CA -0.075 56.022 56.287 -0.316 0.000 1.045 411 K CB 1.447 33.398 32.500 -0.915 0.000 1.227 411 K HN -0.096 nan 8.250 nan 0.000 0.516 412 M N 0.263 119.966 119.600 0.172 0.000 2.384 412 M HA 0.101 4.238 4.480 -0.573 0.000 0.258 412 M C 0.407 176.868 176.300 0.268 0.000 1.130 412 M CA 0.867 56.264 55.300 0.162 0.000 1.187 412 M CB 0.561 33.226 32.600 0.108 0.000 1.307 412 M HN 0.076 nan 8.290 nan 0.000 0.468 413 V N 0.328 120.464 119.914 0.369 0.000 2.577 413 V HA 0.210 3.986 4.120 -0.573 0.000 0.303 413 V C -0.065 176.202 176.094 0.289 0.000 1.042 413 V CA -0.889 61.620 62.300 0.348 0.000 0.872 413 V CB 1.685 33.713 31.823 0.342 0.000 0.998 413 V HN 0.279 nan 8.190 nan 0.000 0.423 414 T N 2.654 117.361 114.554 0.256 0.000 2.906 414 T HA 0.024 4.031 4.350 -0.573 0.000 0.320 414 T C 1.401 176.064 174.700 -0.061 0.000 1.088 414 T CA 0.585 62.690 62.100 0.007 0.000 1.120 414 T CB 0.761 69.707 68.868 0.129 0.000 1.000 414 T HN 0.829 nan 8.240 nan 0.000 0.550 415 S N 2.941 118.521 115.700 -0.201 0.000 2.447 415 S HA -0.051 4.076 4.470 -0.573 0.000 0.233 415 S C 1.834 176.445 174.600 0.018 0.000 1.006 415 S CA 0.469 58.607 58.200 -0.103 0.000 0.957 415 S CB -0.078 63.030 63.200 -0.153 0.000 0.773 415 S HN 0.719 nan 8.310 nan 0.000 0.507 416 E N 1.060 121.307 120.200 0.078 0.000 2.208 416 E HA 0.046 4.052 4.350 -0.573 0.000 0.193 416 E C 1.788 178.586 176.600 0.329 0.000 0.988 416 E CA 0.578 57.103 56.400 0.208 0.000 0.828 416 E CB -0.111 29.719 29.700 0.217 0.000 0.763 416 E HN 0.494 nan 8.360 nan 0.000 0.478 417 L N -0.298 121.062 121.223 0.229 0.000 2.253 417 L HA 0.091 4.087 4.340 -0.573 0.000 0.205 417 L C 2.592 179.520 176.870 0.097 0.000 1.078 417 L CA 0.310 55.257 54.840 0.180 0.000 0.805 417 L CB -0.027 42.115 42.059 0.140 0.000 0.963 417 L HN -0.066 nan 8.230 nan 0.000 0.459 418 R N -0.370 120.183 120.500 0.088 0.000 2.246 418 R HA -0.003 3.993 4.340 -0.573 0.000 0.199 418 R C 1.177 177.511 176.300 0.057 0.000 0.984 418 R CA 0.659 56.800 56.100 0.068 0.000 1.015 418 R CB 0.328 30.670 30.300 0.070 0.000 0.930 418 R HN 0.312 nan 8.270 nan 0.000 0.475 419 N N -0.563 118.172 118.700 0.057 0.000 2.325 419 N HA 0.075 4.471 4.740 -0.573 0.000 0.220 419 N C -0.161 175.387 175.510 0.064 0.000 1.176 419 N CA 0.485 53.556 53.050 0.034 0.000 0.861 419 N CB 0.866 39.345 38.487 -0.013 0.000 1.230 419 N HN -0.017 nan 8.380 nan 0.000 0.479 420 K N 0.693 121.174 120.400 0.134 0.000 2.758 420 K HA 0.258 4.234 4.320 -0.573 0.000 0.208 420 K C -0.645 176.235 176.600 0.467 0.000 1.091 420 K CA -0.357 56.065 56.287 0.225 0.000 1.059 420 K CB 0.972 33.505 32.500 0.054 0.000 0.801 420 K HN -0.079 nan 8.250 nan 0.000 0.470 421 L N 1.501 122.897 121.223 0.288 0.000 2.410 421 L HA 0.238 4.234 4.340 -0.573 0.000 0.273 421 L C -0.547 176.458 176.870 0.226 0.000 1.144 421 L CA -0.036 54.845 54.840 0.069 0.000 0.863 421 L CB 0.037 42.039 42.059 -0.095 0.000 1.140 421 L HN 0.076 nan 8.230 nan 0.000 0.463 422 F N 4.339 124.316 119.950 0.044 0.000 2.410 422 F HA 0.424 4.604 4.527 -0.579 0.000 0.348 422 F C 0.100 175.937 175.800 0.063 0.000 1.106 422 F CA -0.109 57.936 58.000 0.075 0.000 1.163 422 F CB 0.910 39.981 39.000 0.119 0.000 1.129 422 F HN 0.585 nan 8.300 nan 0.000 0.516 423 Q N 7.804 127.320 119.800 -0.473 0.000 2.316 423 Q HA 0.403 4.399 4.340 -0.573 0.000 0.264 423 Q C -2.098 173.512 176.000 -0.650 0.000 0.987 423 Q CA -2.193 53.348 55.803 -0.436 0.000 0.852 423 Q CB 2.126 30.451 28.738 -0.689 0.000 1.287 423 Q HN 0.301 nan 8.270 nan 0.000 0.448 424 P HA -0.159 nan 4.420 nan 0.000 0.215 424 P C 0.562 177.522 177.300 -0.567 0.000 1.157 424 P CA 1.602 64.331 63.100 -0.619 0.000 0.868 424 P CB 0.263 31.647 31.700 -0.526 0.000 0.788 425 T N -1.286 112.905 114.554 -0.605 0.000 2.720 425 T HA -0.118 3.888 4.350 -0.573 0.000 0.268 425 T C 1.019 175.272 174.700 -0.746 0.000 1.037 425 T CA 1.338 63.014 62.100 -0.707 0.000 1.144 425 T CB -0.738 67.584 68.868 -0.910 0.000 0.864 425 T HN 0.235 nan 8.240 nan 0.000 0.444 426 H N 0.233 119.029 119.070 -0.456 0.000 2.645 426 H HA 0.448 4.659 4.556 -0.575 0.000 0.308 426 H C 1.004 175.984 175.328 -0.580 0.000 1.495 426 H CA -0.467 55.363 56.048 -0.363 0.000 1.518 426 H CB 1.063 30.779 29.762 -0.077 0.000 1.752 426 H HN 0.080 nan 8.280 nan 0.000 0.797 427 K N 0.260 120.558 120.400 -0.169 0.000 2.399 427 K HA 0.145 4.122 4.320 -0.573 0.000 0.196 427 K C 0.400 177.144 176.600 0.241 0.000 1.103 427 K CA 0.162 56.411 56.287 -0.063 0.000 0.986 427 K CB 0.851 33.442 32.500 0.151 0.000 0.952 427 K HN 0.300 nan 8.250 nan 0.000 0.541 428 V N 0.121 120.094 119.914 0.098 0.000 2.686 428 V HA 0.211 3.987 4.120 -0.573 0.000 0.295 428 V C 0.008 176.210 176.094 0.181 0.000 1.057 428 V CA -0.603 61.794 62.300 0.161 0.000 1.012 428 V CB 0.922 32.740 31.823 -0.009 0.000 1.006 428 V HN 0.180 nan 8.190 nan 0.000 0.477 429 H N 3.448 122.729 119.070 0.352 0.000 2.726 429 H HA 0.490 4.701 4.556 -0.574 0.000 0.244 429 H C 0.809 176.256 175.328 0.198 0.000 1.669 429 H CA 0.575 56.873 56.048 0.416 0.000 1.293 429 H CB 0.805 30.854 29.762 0.478 0.000 1.640 429 H HN 1.072 nan 8.280 nan 0.000 0.553 430 G N 2.114 111.014 108.800 0.167 0.000 5.068 430 G HA2 0.031 3.648 3.960 -0.573 0.000 0.218 430 G HA3 0.031 3.648 3.960 -0.573 0.000 0.218 430 G C -0.405 174.425 174.900 -0.116 0.000 0.891 430 G CA -0.310 44.793 45.100 0.004 0.000 0.776 430 G HN 0.170 nan 8.290 nan 0.000 0.284 431 F N 0.951 120.917 119.950 0.027 0.000 2.378 431 F HA 0.534 4.719 4.527 -0.569 0.000 0.319 431 F C 0.333 176.137 175.800 0.007 0.000 1.155 431 F CA -0.436 57.566 58.000 0.004 0.000 1.157 431 F CB 1.189 40.162 39.000 -0.045 0.000 1.252 431 F HN -0.079 nan 8.300 nan 0.000 0.550 432 D N 1.708 122.240 120.400 0.220 0.000 2.344 432 D HA 0.161 4.458 4.640 -0.573 0.000 0.239 432 D C 0.427 176.748 176.300 0.035 0.000 1.064 432 D CA -0.382 53.680 54.000 0.104 0.000 0.829 432 D CB 1.588 42.442 40.800 0.089 0.000 1.129 432 D HN 0.384 nan 8.370 nan 0.000 0.506 433 L N 4.924 126.128 121.223 -0.031 0.000 2.072 433 L HA 0.107 4.103 4.340 -0.573 0.000 0.205 433 L C 2.014 178.754 176.870 -0.218 0.000 1.079 433 L CA 2.012 56.758 54.840 -0.155 0.000 0.752 433 L CB -0.684 41.227 42.059 -0.248 0.000 0.906 433 L HN 0.542 nan 8.230 nan 0.000 0.436 434 A N -0.550 122.207 122.820 -0.106 0.000 1.902 434 A HA -0.064 3.912 4.320 -0.573 0.000 0.217 434 A C 2.411 179.877 177.584 -0.196 0.000 1.181 434 A CA 1.713 53.666 52.037 -0.140 0.000 0.623 434 A CB -1.037 18.100 19.000 0.230 0.000 0.818 434 A HN 0.529 nan 8.150 nan 0.000 0.443 435 A N -0.520 122.256 122.820 -0.073 0.000 1.897 435 A HA 0.026 4.002 4.320 -0.573 0.000 0.215 435 A C 2.128 179.627 177.584 -0.142 0.000 1.181 435 A CA 1.277 53.270 52.037 -0.073 0.000 0.620 435 A CB -0.506 18.481 19.000 -0.021 0.000 0.821 435 A HN 0.532 nan 8.150 nan 0.000 0.443 436 I N -0.076 120.435 120.570 -0.099 0.000 2.493 436 I HA -0.246 3.580 4.170 -0.573 0.000 0.254 436 I C 1.954 178.048 176.117 -0.038 0.000 1.160 436 I CA 1.237 62.528 61.300 -0.016 0.000 1.445 436 I CB -0.248 37.800 38.000 0.078 0.000 1.086 436 I HN 0.446 nan 8.210 nan 0.000 0.433 437 N N 0.135 118.685 118.700 -0.250 0.000 2.216 437 N HA -0.130 4.266 4.740 -0.573 0.000 0.183 437 N C 1.813 177.213 175.510 -0.183 0.000 1.017 437 N CA 0.922 53.756 53.050 -0.360 0.000 0.861 437 N CB 0.085 37.901 38.487 -1.117 0.000 0.986 437 N HN 0.297 nan 8.380 nan 0.000 0.428 438 L N 0.851 121.965 121.223 -0.182 0.000 2.095 438 L HA -0.091 3.905 4.340 -0.573 0.000 0.204 438 L C 2.488 179.336 176.870 -0.035 0.000 1.080 438 L CA 0.741 55.564 54.840 -0.028 0.000 0.759 438 L CB -0.327 41.759 42.059 0.045 0.000 0.914 438 L HN 0.157 nan 8.230 nan 0.000 0.439 439 Q N -0.012 119.665 119.800 -0.205 0.000 2.135 439 Q HA -0.245 3.752 4.340 -0.573 0.000 0.204 439 Q C 2.324 178.305 176.000 -0.032 0.000 0.981 439 Q CA 1.375 56.945 55.803 -0.387 0.000 0.856 439 Q CB -0.276 27.703 28.738 -1.265 0.000 0.902 439 Q HN 0.235 nan 8.270 nan 0.000 0.425 440 R N 0.384 120.991 120.500 0.179 0.000 2.152 440 R HA -0.068 3.928 4.340 -0.573 0.000 0.232 440 R C 2.202 178.801 176.300 0.498 0.000 1.117 440 R CA 1.167 57.606 56.100 0.564 0.000 0.981 440 R CB -0.755 29.875 30.300 0.550 0.000 0.870 440 R HN 0.270 nan 8.270 nan 0.000 0.451 441 C N -0.397 118.969 119.300 0.109 0.000 2.436 441 C HA -0.020 4.096 4.460 -0.573 0.000 0.277 441 C C 2.427 177.411 174.990 -0.010 0.000 1.241 441 C CA 0.970 59.776 59.018 -0.354 0.000 1.721 441 C CB -0.832 26.738 27.740 -0.282 0.000 2.043 441 C HN 0.508 nan 8.230 nan 0.000 0.472 442 R N 0.797 121.392 120.500 0.157 0.000 2.127 442 R HA -0.156 3.841 4.340 -0.573 0.000 0.238 442 R C 1.780 178.304 176.300 0.373 0.000 1.134 442 R CA 1.839 58.109 56.100 0.283 0.000 0.975 442 R CB -0.462 30.060 30.300 0.370 0.000 0.865 442 R HN 0.583 nan 8.270 nan 0.000 0.447 443 D N -0.144 120.533 120.400 0.461 0.000 2.117 443 D HA -0.145 4.151 4.640 -0.573 0.000 0.198 443 D C 1.663 178.196 176.300 0.388 0.000 0.982 443 D CA 1.382 55.673 54.000 0.485 0.000 0.828 443 D CB 0.105 41.273 40.800 0.614 0.000 0.967 443 D HN 0.331 nan 8.370 nan 0.000 0.464 444 H N -1.289 117.954 119.070 0.289 0.000 2.273 444 H HA 0.169 4.385 4.556 -0.567 0.000 0.311 444 H C 1.603 177.003 175.328 0.121 0.000 1.057 444 H CA 1.399 57.599 56.048 0.254 0.000 1.360 444 H CB 0.016 29.990 29.762 0.353 0.000 1.414 444 H HN 0.265 nan 8.280 nan 0.000 0.516 445 G N -0.233 108.616 108.800 0.081 0.000 2.487 445 G HA2 0.285 3.901 3.960 -0.573 0.000 0.212 445 G HA3 0.285 3.901 3.960 -0.573 0.000 0.212 445 G C -0.507 174.212 174.900 -0.302 0.000 1.988 445 G CA 0.036 45.052 45.100 -0.140 0.000 0.724 445 G HN 0.215 nan 8.290 nan 0.000 0.755 446 M N 1.508 121.062 119.600 -0.077 0.000 2.284 446 M HA 0.468 4.605 4.480 -0.573 0.000 0.229 446 M C -2.955 173.431 176.300 0.142 0.000 0.984 446 M CA -1.754 53.559 55.300 0.021 0.000 1.016 446 M CB 1.917 34.438 32.600 -0.131 0.000 2.379 446 M HN -0.019 nan 8.290 nan 0.000 0.459 447 P HA 0.257 nan 4.420 nan 0.000 0.265 447 P C 0.459 177.894 177.300 0.225 0.000 1.193 447 P CA 0.251 63.411 63.100 0.101 0.000 0.765 447 P CB 0.530 32.089 31.700 -0.236 0.000 0.823 448 G N 1.516 110.372 108.800 0.093 0.000 2.680 448 G HA2 -0.179 3.437 3.960 -0.573 0.000 0.274 448 G HA3 -0.179 3.437 3.960 -0.573 0.000 0.274 448 G C 0.501 175.551 174.900 0.250 0.000 1.292 448 G CA -0.116 45.058 45.100 0.124 0.000 1.007 448 G HN 0.493 nan 8.290 nan 0.000 0.578 449 Y N 0.178 120.517 120.300 0.065 0.000 2.207 449 Y HA -0.169 4.036 4.550 -0.575 0.000 0.287 449 Y C 2.609 178.581 175.900 0.121 0.000 1.156 449 Y CA 2.430 60.586 58.100 0.093 0.000 1.182 449 Y CB -0.068 38.388 38.460 -0.007 0.000 0.979 449 Y HN 0.400 nan 8.280 nan 0.000 0.521 450 N N -0.483 118.200 118.700 -0.028 0.000 2.250 450 N HA -0.113 4.283 4.740 -0.573 0.000 0.181 450 N C 1.951 177.397 175.510 -0.106 0.000 1.017 450 N CA 1.330 54.303 53.050 -0.129 0.000 0.866 450 N CB -0.395 38.071 38.487 -0.035 0.000 0.985 450 N HN 0.315 nan 8.380 nan 0.000 0.429 451 S N -0.026 115.608 115.700 -0.111 0.000 2.365 451 S HA -0.159 3.967 4.470 -0.573 0.000 0.225 451 S C 1.616 176.065 174.600 -0.252 0.000 1.039 451 S CA 1.191 59.247 58.200 -0.239 0.000 1.033 451 S CB -0.530 62.424 63.200 -0.409 0.000 0.887 451 S HN 0.524 nan 8.310 nan 0.000 0.447 452 W N 1.439 122.726 121.300 -0.022 0.000 2.584 452 W HA 0.185 4.509 4.660 -0.558 0.000 0.264 452 W C 2.459 178.975 176.519 -0.005 0.000 1.264 452 W CA -0.417 56.938 57.345 0.016 0.000 1.306 452 W CB 0.003 29.457 29.460 -0.011 0.000 1.110 452 W HN 0.063 nan 8.180 nan 0.000 0.606 453 R N -0.028 120.477 120.500 0.008 0.000 2.092 453 R HA -0.033 3.964 4.340 -0.573 0.000 0.231 453 R C 2.287 178.601 176.300 0.023 0.000 1.119 453 R CA 1.461 57.510 56.100 -0.086 0.000 0.970 453 R CB -1.333 28.779 30.300 -0.315 0.000 0.864 453 R HN 0.332 nan 8.270 nan 0.000 0.440 454 G N -0.137 108.675 108.800 0.019 0.000 2.403 454 G HA2 -0.255 3.361 3.960 -0.573 0.000 0.216 454 G HA3 -0.255 3.361 3.960 -0.573 0.000 0.216 454 G C 1.356 176.302 174.900 0.076 0.000 1.154 454 G CA 0.004 45.118 45.100 0.023 0.000 0.784 454 G HN 0.235 nan 8.290 nan 0.000 0.538 455 F N 1.357 121.299 119.950 -0.012 0.000 2.120 455 F HA -0.189 3.996 4.527 -0.570 0.000 0.300 455 F C 2.273 178.124 175.800 0.085 0.000 1.095 455 F CA 1.451 59.475 58.000 0.041 0.000 1.249 455 F CB -0.128 38.971 39.000 0.164 0.000 0.995 455 F HN 0.186 nan 8.300 nan 0.000 0.480 456 c N 0.273 119.013 118.600 0.233 0.000 2.697 456 c HA 0.420 4.646 4.570 -0.573 0.000 0.267 456 c C 1.573 175.736 174.090 0.123 0.000 1.278 456 c CA 0.411 56.851 56.329 0.186 0.000 1.708 456 c CB -1.200 41.461 42.510 0.253 0.000 1.860 456 c HN 0.831 nan 8.230 nan 0.000 0.589 457 G N 1.395 110.231 108.800 0.059 0.000 2.298 457 G HA2 -0.228 3.389 3.960 -0.573 0.000 0.287 457 G HA3 -0.228 3.389 3.960 -0.573 0.000 0.287 457 G C -0.365 174.560 174.900 0.041 0.000 1.075 457 G CA 0.033 45.151 45.100 0.029 0.000 0.960 457 G HN 0.534 nan 8.290 nan 0.000 0.502 458 L N -0.095 121.154 121.223 0.043 0.000 2.313 458 L HA 0.621 4.618 4.340 -0.573 0.000 0.268 458 L C 1.022 177.897 176.870 0.009 0.000 1.010 458 L CA -1.117 53.744 54.840 0.034 0.000 0.814 458 L CB 1.754 43.842 42.059 0.047 0.000 1.304 458 L HN 0.186 nan 8.230 nan 0.000 0.441 459 S N 0.910 116.619 115.700 0.015 0.000 2.596 459 S HA 0.044 4.170 4.470 -0.573 0.000 0.298 459 S C -0.353 174.244 174.600 -0.005 0.000 1.255 459 S CA -0.287 57.920 58.200 0.012 0.000 1.083 459 S CB -0.127 63.090 63.200 0.029 0.000 0.837 459 S HN 0.418 nan 8.310 nan 0.000 0.499 460 Q N 3.378 123.171 119.800 -0.011 0.000 2.331 460 Q HA 0.333 4.329 4.340 -0.573 0.000 0.257 460 Q C -2.083 173.931 176.000 0.022 0.000 0.957 460 Q CA -1.660 54.129 55.803 -0.024 0.000 0.923 460 Q CB 0.770 29.491 28.738 -0.028 0.000 1.212 460 Q HN 0.411 nan 8.270 nan 0.000 0.443 461 P HA 0.196 nan 4.420 nan 0.000 0.333 461 P C 0.171 177.508 177.300 0.063 0.000 1.343 461 P CA -0.240 62.906 63.100 0.076 0.000 0.761 461 P CB 0.676 32.449 31.700 0.121 0.000 1.701 462 K N -3.276 117.162 120.400 0.062 0.000 2.116 462 K HA 0.098 4.074 4.320 -0.573 0.000 0.125 462 K C -0.144 176.485 176.600 0.049 0.000 2.138 462 K CA 0.718 57.037 56.287 0.053 0.000 1.184 462 K CB -0.414 32.112 32.500 0.043 0.000 2.323 462 K HN 0.623 nan 8.250 nan 0.000 0.469 463 T N -1.494 113.086 114.554 0.044 0.000 2.901 463 T HA 0.465 4.472 4.350 -0.573 0.000 0.293 463 T C 1.132 175.850 174.700 0.030 0.000 1.084 463 T CA -0.744 61.377 62.100 0.034 0.000 1.008 463 T CB 1.961 70.847 68.868 0.030 0.000 1.170 463 T HN -0.018 nan 8.240 nan 0.000 0.509 464 L N 0.361 121.596 121.223 0.020 0.000 2.081 464 L HA -0.058 3.939 4.340 -0.573 0.000 0.212 464 L C 2.546 179.428 176.870 0.019 0.000 1.080 464 L CA 1.675 56.524 54.840 0.015 0.000 0.754 464 L CB -0.226 41.838 42.059 0.009 0.000 0.893 464 L HN 0.812 nan 8.230 nan 0.000 0.433 465 K N -1.168 119.244 120.400 0.021 0.000 2.262 465 K HA 0.013 3.989 4.320 -0.573 0.000 0.200 465 K C 1.832 178.449 176.600 0.029 0.000 1.049 465 K CA 0.724 57.025 56.287 0.022 0.000 0.979 465 K CB -0.003 32.509 32.500 0.019 0.000 0.773 465 K HN 0.373 nan 8.250 nan 0.000 0.474 466 G N 0.781 109.602 108.800 0.034 0.000 2.498 466 G HA2 -0.184 3.432 3.960 -0.573 0.000 0.219 466 G HA3 -0.184 3.432 3.960 -0.573 0.000 0.219 466 G C 1.213 176.148 174.900 0.058 0.000 1.119 466 G CA 0.518 45.644 45.100 0.044 0.000 0.766 466 G HN 0.231 nan 8.290 nan 0.000 0.552 467 L N -0.851 120.404 121.223 0.052 0.000 2.316 467 L HA 0.274 4.270 4.340 -0.573 0.000 0.207 467 L C 2.820 179.712 176.870 0.037 0.000 1.070 467 L CA 0.772 55.645 54.840 0.055 0.000 0.820 467 L CB -0.146 41.935 42.059 0.037 0.000 0.992 467 L HN 0.148 nan 8.230 nan 0.000 0.466 468 Q N -0.353 119.463 119.800 0.027 0.000 2.112 468 Q HA -0.218 3.778 4.340 -0.573 0.000 0.206 468 Q C 1.805 177.819 176.000 0.023 0.000 0.987 468 Q CA 1.849 57.664 55.803 0.020 0.000 0.858 468 Q CB -0.289 28.459 28.738 0.017 0.000 0.905 468 Q HN 0.616 nan 8.270 nan 0.000 0.420 469 A N -0.504 122.334 122.820 0.029 0.000 2.251 469 A HA 0.106 4.082 4.320 -0.573 0.000 0.209 469 A C 1.733 179.340 177.584 0.039 0.000 1.187 469 A CA 0.188 52.243 52.037 0.030 0.000 0.823 469 A CB 0.370 19.387 19.000 0.028 0.000 0.846 469 A HN 0.185 nan 8.150 nan 0.000 0.486 470 V N -0.796 119.148 119.914 0.050 0.000 2.922 470 V HA 0.062 3.838 4.120 -0.573 0.000 0.242 470 V C 1.851 177.980 176.094 0.059 0.000 1.094 470 V CA 1.155 63.497 62.300 0.070 0.000 1.106 470 V CB 0.050 31.942 31.823 0.114 0.000 0.799 470 V HN 0.602 nan 8.190 nan 0.000 0.474 471 L N -0.954 120.292 121.223 0.037 0.000 2.585 471 L HA 0.279 4.276 4.340 -0.573 0.000 0.226 471 L C 0.802 177.678 176.870 0.011 0.000 1.113 471 L CA 0.083 54.932 54.840 0.015 0.000 0.876 471 L CB -0.349 41.703 42.059 -0.012 0.000 1.072 471 L HN 0.202 nan 8.230 nan 0.000 0.468 472 K N 1.721 122.130 120.400 0.016 0.000 3.148 472 K HA -0.207 3.770 4.320 -0.573 0.000 0.267 472 K C -0.213 176.391 176.600 0.007 0.000 0.996 472 K CA 0.434 56.728 56.287 0.012 0.000 0.737 472 K CB -1.411 31.096 32.500 0.012 0.000 1.308 472 K HN 0.376 nan 8.250 nan 0.000 0.470 473 N N 0.184 118.887 118.700 0.005 0.000 2.578 473 N HA 0.129 4.525 4.740 -0.573 0.000 0.282 473 N C 0.001 175.514 175.510 0.004 0.000 1.119 473 N CA -0.595 52.457 53.050 0.003 0.000 0.948 473 N CB 1.185 39.671 38.487 -0.001 0.000 1.546 473 N HN 0.009 nan 8.380 nan 0.000 0.525 474 K N 1.194 121.598 120.400 0.006 0.000 2.116 474 K HA 0.043 4.019 4.320 -0.573 0.000 0.203 474 K C 1.568 178.171 176.600 0.006 0.000 1.052 474 K CA 0.975 57.266 56.287 0.007 0.000 0.952 474 K CB 0.376 32.881 32.500 0.007 0.000 0.729 474 K HN 0.259 nan 8.250 nan 0.000 0.446 475 V N 1.589 121.507 119.914 0.006 0.000 2.379 475 V HA -0.198 3.578 4.120 -0.573 0.000 0.245 475 V C 2.119 178.218 176.094 0.008 0.000 1.044 475 V CA 1.207 63.512 62.300 0.008 0.000 1.036 475 V CB -0.333 31.495 31.823 0.009 0.000 0.664 475 V HN 0.233 nan 8.190 nan 0.000 0.453 476 L N 1.022 122.248 121.223 0.005 0.000 2.141 476 L HA 0.003 3.999 4.340 -0.573 0.000 0.209 476 L C 2.408 179.278 176.870 0.001 0.000 1.094 476 L CA 2.158 57.000 54.840 0.003 0.000 0.763 476 L CB -0.968 41.087 42.059 -0.005 0.000 0.908 476 L HN 0.206 nan 8.230 nan 0.000 0.437 477 A N -0.492 122.328 122.820 -0.001 0.000 1.877 477 A HA -0.231 3.746 4.320 -0.573 0.000 0.216 477 A C 2.349 179.936 177.584 0.006 0.000 1.186 477 A CA 1.923 53.960 52.037 0.000 0.000 0.620 477 A CB -0.498 18.504 19.000 0.004 0.000 0.822 477 A HN 0.476 nan 8.150 nan 0.000 0.443 478 K N -0.188 120.216 120.400 0.006 0.000 2.001 478 K HA -0.189 3.787 4.320 -0.573 0.000 0.214 478 K C 2.153 178.757 176.600 0.006 0.000 1.050 478 K CA 1.973 58.262 56.287 0.004 0.000 0.934 478 K CB -0.243 32.259 32.500 0.003 0.000 0.718 478 K HN 0.410 nan 8.250 nan 0.000 0.443 479 K N 0.749 121.156 120.400 0.011 0.000 2.103 479 K HA -0.147 3.830 4.320 -0.573 0.000 0.207 479 K C 2.181 178.799 176.600 0.031 0.000 1.048 479 K CA 1.207 57.503 56.287 0.015 0.000 0.930 479 K CB -0.148 32.364 32.500 0.021 0.000 0.716 479 K HN 0.103 nan 8.250 nan 0.000 0.444 480 L N 0.483 121.737 121.223 0.051 0.000 2.027 480 L HA -0.162 3.835 4.340 -0.573 0.000 0.206 480 L C 1.794 178.761 176.870 0.163 0.000 1.074 480 L CA 0.914 55.827 54.840 0.121 0.000 0.745 480 L CB -0.235 41.861 42.059 0.061 0.000 0.898 480 L HN 0.207 nan 8.230 nan 0.000 0.433 481 L N -4.905 116.361 121.223 0.072 0.000 2.653 481 L HA 0.225 4.221 4.340 -0.573 0.000 0.231 481 L C 1.222 178.079 176.870 -0.022 0.000 1.153 481 L CA 0.604 55.469 54.840 0.043 0.000 0.933 481 L CB -0.556 41.510 42.059 0.012 0.000 1.175 481 L HN -0.088 nan 8.230 nan 0.000 0.473 482 D N 0.312 120.700 120.400 -0.021 0.000 2.234 482 D HA 0.034 4.331 4.640 -0.573 0.000 0.205 482 D C 1.946 178.198 176.300 -0.080 0.000 0.962 482 D CA 1.197 55.168 54.000 -0.048 0.000 0.855 482 D CB 0.345 41.126 40.800 -0.031 0.000 0.951 482 D HN 0.445 nan 8.370 nan 0.000 0.500 483 L N -1.439 119.723 121.223 -0.102 0.000 2.445 483 L HA 0.031 4.027 4.340 -0.573 0.000 0.207 483 L C 1.809 178.525 176.870 -0.258 0.000 1.053 483 L CA 0.179 54.895 54.840 -0.207 0.000 0.841 483 L CB -0.011 41.858 42.059 -0.317 0.000 1.074 483 L HN -0.068 nan 8.230 nan 0.000 0.479 484 Y N 0.357 120.622 120.300 -0.058 0.000 2.314 484 Y HA -0.059 4.147 4.550 -0.574 0.000 0.294 484 Y C 1.502 177.313 175.900 -0.148 0.000 1.119 484 Y CA 0.320 58.383 58.100 -0.060 0.000 1.179 484 Y CB 0.101 38.543 38.460 -0.031 0.000 1.025 484 Y HN 0.005 nan 8.280 nan 0.000 0.541 485 K N -1.330 119.026 120.400 -0.074 0.000 3.612 485 K HA -0.216 3.760 4.320 -0.573 0.000 0.274 485 K C 0.323 176.724 176.600 -0.332 0.000 1.123 485 K CA 1.327 57.408 56.287 -0.344 0.000 1.059 485 K CB -1.514 30.541 32.500 -0.741 0.000 1.330 485 K HN 0.295 nan 8.250 nan 0.000 0.477 486 T N -0.798 113.689 114.554 -0.112 0.000 2.993 486 T HA 0.383 4.389 4.350 -0.573 0.000 0.312 486 T C -2.548 172.180 174.700 0.047 0.000 1.115 486 T CA -1.749 60.353 62.100 0.004 0.000 1.027 486 T CB 1.841 70.783 68.868 0.123 0.000 1.116 486 T HN -0.283 nan 8.240 nan 0.000 0.464 487 P HA -0.089 nan 4.420 nan 0.000 0.218 487 P C 0.943 178.294 177.300 0.085 0.000 1.146 487 P CA 0.952 64.095 63.100 0.073 0.000 0.820 487 P CB 0.208 31.975 31.700 0.113 0.000 0.778 488 D N -0.963 119.480 120.400 0.072 0.000 2.123 488 D HA -0.136 4.161 4.640 -0.573 0.000 0.196 488 D C 1.390 177.698 176.300 0.014 0.000 0.992 488 D CA 1.135 55.166 54.000 0.052 0.000 0.833 488 D CB -0.654 40.173 40.800 0.046 0.000 0.954 488 D HN 0.170 nan 8.370 nan 0.000 0.455 489 N N 0.178 118.878 118.700 -0.000 0.000 2.467 489 N HA 0.053 4.449 4.740 -0.573 0.000 0.184 489 N C 0.342 175.705 175.510 -0.244 0.000 1.106 489 N CA -0.041 52.994 53.050 -0.025 0.000 0.892 489 N CB 0.216 38.773 38.487 0.117 0.000 0.969 489 N HN 0.287 nan 8.380 nan 0.000 0.454 490 I N 2.011 122.265 120.570 -0.527 0.000 2.742 490 I HA -0.106 3.720 4.170 -0.573 0.000 0.287 490 I C 0.294 176.174 176.117 -0.395 0.000 1.186 490 I CA 0.327 61.017 61.300 -1.017 0.000 1.417 490 I CB 0.167 37.786 38.000 -0.635 0.000 1.377 490 I HN -0.106 nan 8.210 nan 0.000 0.556 491 D N 6.880 127.100 120.400 -0.300 0.000 2.443 491 D HA 0.067 4.363 4.640 -0.573 0.000 0.239 491 D C 1.440 177.778 176.300 0.063 0.000 1.136 491 D CA 0.045 54.050 54.000 0.007 0.000 0.879 491 D CB 1.408 42.291 40.800 0.138 0.000 1.195 491 D HN 0.422 nan 8.370 nan 0.000 0.443 492 I N 0.570 121.199 120.570 0.099 0.000 2.118 492 I HA -0.295 3.531 4.170 -0.573 0.000 0.241 492 I C 2.376 178.587 176.117 0.157 0.000 1.070 492 I CA 1.223 62.600 61.300 0.127 0.000 1.327 492 I CB -0.297 37.691 38.000 -0.020 0.000 1.034 492 I HN 0.605 nan 8.210 nan 0.000 0.405 493 W N 1.716 123.032 121.300 0.027 0.000 2.290 493 W HA -0.329 3.976 4.660 -0.592 0.000 0.323 493 W C 2.367 178.934 176.519 0.079 0.000 1.260 493 W CA 2.294 59.692 57.345 0.089 0.000 1.266 493 W CB -0.437 29.110 29.460 0.144 0.000 1.149 493 W HN 0.137 nan 8.180 nan 0.000 0.482 494 I N 0.670 121.326 120.570 0.143 0.000 2.333 494 I HA 0.031 3.857 4.170 -0.573 0.000 0.246 494 I C 2.558 178.571 176.117 -0.174 0.000 1.106 494 I CA 2.217 63.463 61.300 -0.090 0.000 1.411 494 I CB -1.203 36.897 38.000 0.166 0.000 1.082 494 I HN 0.078 nan 8.210 nan 0.000 0.420 495 G N -0.146 108.545 108.800 -0.180 0.000 2.440 495 G HA2 -0.234 3.383 3.960 -0.573 0.000 0.218 495 G HA3 -0.234 3.383 3.960 -0.573 0.000 0.218 495 G C 1.674 176.391 174.900 -0.305 0.000 1.154 495 G CA 0.730 45.553 45.100 -0.461 0.000 0.767 495 G HN 0.553 nan 8.290 nan 0.000 0.552 496 G N 0.625 109.419 108.800 -0.010 0.000 2.404 496 G HA2 -0.178 3.438 3.960 -0.573 0.000 0.215 496 G HA3 -0.178 3.438 3.960 -0.573 0.000 0.215 496 G C 1.652 176.526 174.900 -0.043 0.000 1.174 496 G CA 0.901 46.045 45.100 0.074 0.000 0.780 496 G HN 0.513 nan 8.290 nan 0.000 0.537 497 N N 0.612 119.213 118.700 -0.165 0.000 2.520 497 N HA 0.122 4.519 4.740 -0.573 0.000 0.185 497 N C 2.143 177.562 175.510 -0.152 0.000 1.068 497 N CA 0.668 53.597 53.050 -0.202 0.000 0.911 497 N CB 0.007 38.232 38.487 -0.436 0.000 0.961 497 N HN 0.344 nan 8.380 nan 0.000 0.446 498 A N 0.540 123.268 122.820 -0.153 0.000 2.072 498 A HA 0.004 3.980 4.320 -0.573 0.000 0.216 498 A C 0.661 178.202 177.584 -0.072 0.000 1.156 498 A CA 0.408 52.373 52.037 -0.121 0.000 0.701 498 A CB 0.020 18.923 19.000 -0.161 0.000 0.816 498 A HN 0.268 nan 8.150 nan 0.000 0.458 499 E N 1.286 121.460 120.200 -0.045 0.000 2.398 499 E HA 0.213 4.219 4.350 -0.573 0.000 0.263 499 E C -2.269 174.332 176.600 0.002 0.000 1.046 499 E CA -1.761 54.642 56.400 0.005 0.000 0.908 499 E CB 0.237 29.972 29.700 0.058 0.000 0.963 499 E HN 0.320 nan 8.360 nan 0.000 0.431 500 P HA -0.002 nan 4.420 nan 0.000 0.274 500 P C -0.583 176.723 177.300 0.010 0.000 1.246 500 P CA 0.025 63.130 63.100 0.008 0.000 0.795 500 P CB 0.601 32.307 31.700 0.011 0.000 1.006 501 M N 0.763 120.366 119.600 0.006 0.000 2.235 501 M HA 0.176 4.313 4.480 -0.573 0.000 0.351 501 M C 0.510 176.812 176.300 0.004 0.000 1.178 501 M CA -0.863 54.438 55.300 0.002 0.000 1.143 501 M CB 0.913 33.514 32.600 0.002 0.000 1.530 501 M HN 0.136 nan 8.290 nan 0.000 0.461 502 V N 0.214 120.130 119.914 0.003 0.000 2.843 502 V HA 0.135 3.911 4.120 -0.573 0.000 0.305 502 V C 0.285 176.378 176.094 -0.003 0.000 1.065 502 V CA -0.747 61.557 62.300 0.008 0.000 1.116 502 V CB 0.390 32.225 31.823 0.020 0.000 0.968 502 V HN 0.955 nan 8.190 nan 0.000 0.487 503 E N 3.840 124.039 120.200 -0.002 0.000 2.558 503 E HA -0.030 3.976 4.350 -0.573 0.000 0.255 503 E C 0.412 177.001 176.600 -0.018 0.000 0.968 503 E CA 0.022 56.417 56.400 -0.009 0.000 0.939 503 E CB 0.102 29.797 29.700 -0.008 0.000 0.921 503 E HN 0.710 nan 8.360 nan 0.000 0.477 504 R N 1.446 121.931 120.500 -0.026 0.000 3.422 504 R HA -0.171 3.825 4.340 -0.573 0.000 0.267 504 R C -0.268 176.003 176.300 -0.048 0.000 1.074 504 R CA 0.965 57.041 56.100 -0.039 0.000 0.718 504 R CB -1.970 28.308 30.300 -0.037 0.000 1.157 504 R HN 0.744 nan 8.270 nan 0.000 0.440 505 G N -1.420 107.355 108.800 -0.042 0.000 2.975 505 G HA2 0.634 4.250 3.960 -0.573 0.000 0.291 505 G HA3 0.634 4.250 3.960 -0.573 0.000 0.291 505 G C 0.194 175.078 174.900 -0.026 0.000 1.334 505 G CA -0.578 44.494 45.100 -0.047 0.000 0.843 505 G HN 0.058 nan 8.290 nan 0.000 0.548 506 R N -0.967 119.526 120.500 -0.011 0.000 2.531 506 R HA 0.271 4.268 4.340 -0.573 0.000 0.316 506 R C 0.494 176.770 176.300 -0.039 0.000 0.955 506 R CA 0.190 56.324 56.100 0.056 0.000 1.120 506 R CB 0.396 30.871 30.300 0.291 0.000 1.361 506 R HN 0.570 nan 8.270 nan 0.000 0.534 507 V N -3.336 116.492 119.914 -0.144 0.000 3.164 507 V HA 0.970 4.747 4.120 -0.573 0.000 0.313 507 V C 0.303 176.348 176.094 -0.080 0.000 1.188 507 V CA -0.921 61.266 62.300 -0.187 0.000 1.058 507 V CB 1.590 33.184 31.823 -0.382 0.000 1.110 507 V HN 0.035 nan 8.190 nan 0.000 0.453 508 G N -1.029 107.742 108.800 -0.049 0.000 2.705 508 G HA2 0.632 4.249 3.960 -0.573 0.000 0.299 508 G HA3 0.632 4.249 3.960 -0.573 0.000 0.299 508 G C -2.148 172.774 174.900 0.037 0.000 1.315 508 G CA -1.324 43.780 45.100 0.005 0.000 1.045 508 G HN 0.586 nan 8.290 nan 0.000 0.517 509 P HA -0.160 nan 4.420 nan 0.000 0.216 509 P C 2.108 179.480 177.300 0.121 0.000 1.167 509 P CA 0.810 63.972 63.100 0.104 0.000 0.914 509 P CB 0.121 31.881 31.700 0.100 0.000 0.793 510 L N -1.006 120.287 121.223 0.117 0.000 1.994 510 L HA -0.138 3.859 4.340 -0.573 0.000 0.208 510 L C 2.300 179.217 176.870 0.077 0.000 1.071 510 L CA 1.843 56.755 54.840 0.119 0.000 0.745 510 L CB -1.567 40.580 42.059 0.147 0.000 0.892 510 L HN -0.096 nan 8.230 nan 0.000 0.431 511 L N -0.633 120.616 121.223 0.043 0.000 2.083 511 L HA -0.169 3.827 4.340 -0.573 0.000 0.209 511 L C 2.640 179.482 176.870 -0.047 0.000 1.083 511 L CA 1.066 55.898 54.840 -0.012 0.000 0.752 511 L CB -0.860 41.166 42.059 -0.056 0.000 0.899 511 L HN 0.418 nan 8.230 nan 0.000 0.433 512 A N -0.685 122.118 122.820 -0.028 0.000 1.948 512 A HA -0.313 3.663 4.320 -0.573 0.000 0.220 512 A C 2.516 180.040 177.584 -0.100 0.000 1.177 512 A CA 1.999 54.032 52.037 -0.006 0.000 0.636 512 A CB -1.206 17.850 19.000 0.094 0.000 0.815 512 A HN 0.625 nan 8.150 nan 0.000 0.449 513 c N -0.599 117.924 118.600 -0.128 0.000 2.473 513 c HA 0.012 4.239 4.570 -0.573 0.000 0.279 513 c C 2.584 176.375 174.090 -0.498 0.000 1.250 513 c CA 1.172 57.185 56.329 -0.527 0.000 1.713 513 c CB -1.554 40.906 42.510 -0.084 0.000 2.066 513 c HN 0.578 nan 8.230 nan 0.000 0.474 514 L N 0.579 121.749 121.223 -0.089 0.000 2.042 514 L HA -0.162 3.835 4.340 -0.573 0.000 0.210 514 L C 2.696 179.678 176.870 0.186 0.000 1.076 514 L CA 1.606 56.523 54.840 0.129 0.000 0.749 514 L CB -0.612 41.498 42.059 0.085 0.000 0.893 514 L HN 0.439 nan 8.230 nan 0.000 0.432 515 L N -0.831 120.459 121.223 0.111 0.000 2.027 515 L HA -0.108 3.888 4.340 -0.573 0.000 0.206 515 L C 2.703 179.729 176.870 0.260 0.000 1.074 515 L CA 1.407 56.408 54.840 0.268 0.000 0.745 515 L CB -1.124 41.019 42.059 0.139 0.000 0.898 515 L HN 0.298 nan 8.230 nan 0.000 0.433 516 G N -0.330 108.481 108.800 0.019 0.000 2.476 516 G HA2 -0.272 3.345 3.960 -0.573 0.000 0.218 516 G HA3 -0.272 3.345 3.960 -0.573 0.000 0.218 516 G C 1.712 176.647 174.900 0.060 0.000 1.164 516 G CA 0.666 45.792 45.100 0.045 0.000 0.768 516 G HN 0.241 nan 8.290 nan 0.000 0.560 517 R N -0.268 120.115 120.500 -0.196 0.000 2.080 517 R HA -0.138 3.859 4.340 -0.573 0.000 0.236 517 R C 2.695 179.017 176.300 0.037 0.000 1.137 517 R CA 1.780 57.807 56.100 -0.122 0.000 0.943 517 R CB -0.516 29.572 30.300 -0.354 0.000 0.846 517 R HN 0.429 nan 8.270 nan 0.000 0.431 518 Q N 0.334 120.185 119.800 0.086 0.000 2.077 518 Q HA -0.170 3.826 4.340 -0.573 0.000 0.206 518 Q C 1.777 177.666 176.000 -0.185 0.000 0.989 518 Q CA 1.878 57.599 55.803 -0.136 0.000 0.853 518 Q CB -0.325 27.948 28.738 -0.776 0.000 0.907 518 Q HN 0.235 nan 8.270 nan 0.000 0.418 519 F N 0.689 120.624 119.950 -0.026 0.000 2.216 519 F HA -0.143 4.022 4.527 -0.603 0.000 0.300 519 F C 2.503 178.477 175.800 0.289 0.000 1.085 519 F CA 1.599 59.663 58.000 0.108 0.000 1.326 519 F CB -0.421 38.549 39.000 -0.049 0.000 1.027 519 F HN 0.332 nan 8.300 nan 0.000 0.497 520 Q N 0.401 120.408 119.800 0.346 0.000 2.049 520 Q HA -0.215 3.782 4.340 -0.573 0.000 0.198 520 Q C 2.026 178.112 176.000 0.143 0.000 0.971 520 Q CA 1.489 57.447 55.803 0.259 0.000 0.833 520 Q CB -0.256 28.618 28.738 0.227 0.000 0.896 520 Q HN 0.470 nan 8.270 nan 0.000 0.434 521 Q N 0.554 120.418 119.800 0.106 0.000 2.084 521 Q HA -0.155 3.841 4.340 -0.573 0.000 0.202 521 Q C 2.284 178.336 176.000 0.087 0.000 0.978 521 Q CA 1.874 57.720 55.803 0.072 0.000 0.844 521 Q CB -0.315 28.462 28.738 0.066 0.000 0.898 521 Q HN 0.669 nan 8.270 nan 0.000 0.426 522 I N -2.055 118.571 120.570 0.094 0.000 2.676 522 I HA -0.125 3.701 4.170 -0.573 0.000 0.259 522 I C 2.397 178.626 176.117 0.186 0.000 1.194 522 I CA 0.977 62.365 61.300 0.148 0.000 1.473 522 I CB -0.231 37.835 38.000 0.110 0.000 1.096 522 I HN 0.021 nan 8.210 nan 0.000 0.443 523 R N 1.465 121.974 120.500 0.014 0.000 2.057 523 R HA -0.097 3.899 4.340 -0.573 0.000 0.224 523 R C 1.662 177.844 176.300 -0.197 0.000 1.136 523 R CA 1.689 57.521 56.100 -0.446 0.000 0.968 523 R CB -0.143 29.591 30.300 -0.943 0.000 0.863 523 R HN 0.245 nan 8.270 nan 0.000 0.433 524 D N -0.511 119.859 120.400 -0.050 0.000 2.309 524 D HA -0.065 4.232 4.640 -0.573 0.000 0.212 524 D C 1.374 177.717 176.300 0.071 0.000 0.968 524 D CA 1.329 55.335 54.000 0.010 0.000 0.882 524 D CB -0.032 40.750 40.800 -0.029 0.000 0.918 524 D HN 0.546 nan 8.370 nan 0.000 0.503 525 G N -0.627 108.270 108.800 0.162 0.000 2.921 525 G HA2 -0.064 3.552 3.960 -0.573 0.000 0.213 525 G HA3 -0.064 3.552 3.960 -0.573 0.000 0.213 525 G C 0.228 175.453 174.900 0.541 0.000 1.143 525 G CA -0.266 44.988 45.100 0.257 0.000 0.764 525 G HN 0.060 nan 8.290 nan 0.000 0.542 526 D N 0.462 121.169 120.400 0.513 0.000 2.325 526 D HA 0.139 4.435 4.640 -0.573 0.000 0.251 526 D C 1.450 177.929 176.300 0.298 0.000 1.196 526 D CA -0.491 53.788 54.000 0.465 0.000 0.866 526 D CB 0.942 42.059 40.800 0.529 0.000 1.101 526 D HN 0.101 nan 8.370 nan 0.000 0.476 527 R N 2.904 123.404 120.500 -0.001 0.000 2.235 527 R HA -0.040 3.957 4.340 -0.573 0.000 0.213 527 R C 0.591 176.556 176.300 -0.558 0.000 1.059 527 R CA 0.840 56.559 56.100 -0.635 0.000 0.997 527 R CB 0.035 29.895 30.300 -0.734 0.000 0.884 527 R HN 0.428 nan 8.270 nan 0.000 0.462 528 F N -0.836 119.048 119.950 -0.109 0.000 2.639 528 F HA 0.158 4.341 4.527 -0.573 0.000 0.302 528 F C 0.444 176.299 175.800 0.092 0.000 1.097 528 F CA -0.826 57.130 58.000 -0.073 0.000 1.294 528 F CB 0.050 38.976 39.000 -0.123 0.000 1.027 528 F HN 0.073 nan 8.300 nan 0.000 0.550 529 W N 3.079 124.451 121.300 0.120 0.000 2.391 529 W HA -0.171 4.140 4.660 -0.582 0.000 0.339 529 W C 1.230 177.821 176.519 0.120 0.000 1.252 529 W CA -0.252 57.169 57.345 0.127 0.000 1.304 529 W CB 0.432 29.897 29.460 0.008 0.000 1.179 529 W HN 0.501 nan 8.180 nan 0.000 0.567 530 W N 4.269 125.269 121.300 -0.501 0.000 2.468 530 W HA -0.119 4.197 4.660 -0.573 0.000 0.262 530 W C 0.795 177.286 176.519 -0.047 0.000 1.241 530 W CA 1.144 58.441 57.345 -0.079 0.000 1.232 530 W CB -0.727 28.607 29.460 -0.210 0.000 1.124 530 W HN 0.481 nan 8.180 nan 0.000 0.597 531 E N 0.619 120.187 120.200 -1.054 0.000 2.415 531 E HA -0.081 3.926 4.350 -0.573 0.000 0.197 531 E C 0.254 176.816 176.600 -0.062 0.000 1.007 531 E CA -0.255 55.664 56.400 -0.802 0.000 0.890 531 E CB -0.128 28.897 29.700 -1.125 0.000 0.891 531 E HN 0.028 nan 8.360 nan 0.000 0.496 532 N N 2.293 121.088 118.700 0.159 0.000 2.447 532 N HA 0.007 4.404 4.740 -0.573 0.000 0.263 532 N C -2.653 172.888 175.510 0.051 0.000 1.226 532 N CA -1.304 51.881 53.050 0.225 0.000 0.906 532 N CB 0.657 39.252 38.487 0.179 0.000 1.060 532 N HN -0.250 nan 8.380 nan 0.000 0.468 533 P HA 0.132 nan 4.420 nan 0.000 0.264 533 P C 0.608 177.866 177.300 -0.070 0.000 1.193 533 P CA 0.483 63.577 63.100 -0.012 0.000 0.763 533 P CB 0.707 32.403 31.700 -0.007 0.000 0.810 534 G N 1.517 110.266 108.800 -0.085 0.000 2.541 534 G HA2 -0.249 3.367 3.960 -0.573 0.000 0.201 534 G HA3 -0.249 3.367 3.960 -0.573 0.000 0.201 534 G C 0.785 175.571 174.900 -0.191 0.000 1.026 534 G CA 0.186 45.203 45.100 -0.139 0.000 0.687 534 G HN 0.473 nan 8.290 nan 0.000 0.492 535 V N -2.356 117.422 119.914 -0.227 0.000 2.878 535 V HA 0.640 4.417 4.120 -0.573 0.000 0.250 535 V C 0.856 176.607 176.094 -0.572 0.000 1.075 535 V CA 0.817 62.890 62.300 -0.379 0.000 1.096 535 V CB -0.408 31.180 31.823 -0.392 0.000 0.724 535 V HN 0.316 nan 8.190 nan 0.000 0.467 536 F N -0.182 119.736 119.950 -0.053 0.000 2.565 536 F HA 0.659 4.840 4.527 -0.575 0.000 0.313 536 F C 0.452 176.177 175.800 -0.125 0.000 1.091 536 F CA -0.870 57.068 58.000 -0.102 0.000 0.915 536 F CB 1.766 40.756 39.000 -0.017 0.000 1.208 536 F HN -0.301 nan 8.300 nan 0.000 0.453 537 T N 1.564 116.128 114.554 0.017 0.000 2.918 537 T HA 0.011 4.018 4.350 -0.573 0.000 0.302 537 T C 1.359 176.056 174.700 -0.005 0.000 1.045 537 T CA -0.099 61.980 62.100 -0.035 0.000 1.114 537 T CB 0.726 69.532 68.868 -0.102 0.000 0.965 537 T HN 0.819 nan 8.240 nan 0.000 0.540 538 E N 2.517 122.717 120.200 -0.000 0.000 2.160 538 E HA -0.200 3.806 4.350 -0.573 0.000 0.195 538 E C 1.612 178.221 176.600 0.014 0.000 0.991 538 E CA 1.383 57.793 56.400 0.017 0.000 0.810 538 E CB 0.059 29.766 29.700 0.012 0.000 0.742 538 E HN 0.537 nan 8.360 nan 0.000 0.466 539 K N 0.143 120.537 120.400 -0.010 0.000 2.026 539 K HA -0.160 3.816 4.320 -0.573 0.000 0.208 539 K C 2.443 179.034 176.600 -0.015 0.000 1.048 539 K CA 1.785 58.067 56.287 -0.009 0.000 0.929 539 K CB -0.077 32.410 32.500 -0.022 0.000 0.713 539 K HN 0.221 nan 8.250 nan 0.000 0.439 540 Q N 0.256 120.003 119.800 -0.088 0.000 2.152 540 Q HA -0.191 3.806 4.340 -0.573 0.000 0.206 540 Q C 2.146 178.128 176.000 -0.030 0.000 0.985 540 Q CA 1.386 57.108 55.803 -0.135 0.000 0.863 540 Q CB -0.163 28.312 28.738 -0.438 0.000 0.904 540 Q HN 0.248 nan 8.270 nan 0.000 0.422 541 R N 0.558 121.065 120.500 0.012 0.000 2.091 541 R HA -0.149 3.847 4.340 -0.573 0.000 0.238 541 R C 1.666 178.039 176.300 0.122 0.000 1.136 541 R CA 1.566 57.736 56.100 0.117 0.000 0.959 541 R CB -0.136 30.284 30.300 0.200 0.000 0.856 541 R HN 0.304 nan 8.270 nan 0.000 0.437 542 D N -0.282 120.170 120.400 0.087 0.000 2.178 542 D HA -0.079 4.218 4.640 -0.573 0.000 0.201 542 D C 1.797 178.128 176.300 0.052 0.000 0.980 542 D CA 1.126 55.171 54.000 0.074 0.000 0.842 542 D CB -0.089 40.746 40.800 0.058 0.000 0.948 542 D HN 0.055 nan 8.370 nan 0.000 0.472 543 S N 0.036 115.771 115.700 0.057 0.000 2.387 543 S HA 0.024 4.150 4.470 -0.573 0.000 0.226 543 S C 2.079 176.687 174.600 0.013 0.000 1.026 543 S CA 0.252 58.487 58.200 0.059 0.000 0.972 543 S CB -0.059 63.221 63.200 0.134 0.000 0.814 543 S HN 0.227 nan 8.310 nan 0.000 0.477 544 L N 1.282 122.493 121.223 -0.020 0.000 2.275 544 L HA -0.115 3.881 4.340 -0.573 0.000 0.215 544 L C 2.541 179.277 176.870 -0.223 0.000 1.119 544 L CA 0.973 55.723 54.840 -0.150 0.000 0.790 544 L CB -0.400 41.489 42.059 -0.282 0.000 0.919 544 L HN 0.345 nan 8.230 nan 0.000 0.443 545 Q N -0.399 119.329 119.800 -0.120 0.000 2.230 545 Q HA -0.133 3.863 4.340 -0.573 0.000 0.202 545 Q C 1.891 177.846 176.000 -0.076 0.000 0.963 545 Q CA 0.870 56.614 55.803 -0.098 0.000 0.866 545 Q CB 0.167 28.926 28.738 0.034 0.000 0.931 545 Q HN 0.298 nan 8.270 nan 0.000 0.452 546 K N 0.513 120.885 120.400 -0.048 0.000 2.439 546 K HA -0.006 3.970 4.320 -0.573 0.000 0.197 546 K C 0.895 177.469 176.600 -0.043 0.000 1.041 546 K CA 0.276 56.543 56.287 -0.033 0.000 0.970 546 K CB -0.390 32.101 32.500 -0.015 0.000 0.773 546 K HN 0.187 nan 8.250 nan 0.000 0.479 547 V N 0.043 119.921 119.914 -0.060 0.000 3.051 547 V HA 0.289 4.065 4.120 -0.573 0.000 0.306 547 V C 0.258 176.325 176.094 -0.045 0.000 1.083 547 V CA -0.636 61.651 62.300 -0.022 0.000 1.104 547 V CB 1.231 33.076 31.823 0.037 0.000 1.027 547 V HN 0.279 nan 8.190 nan 0.000 0.483 548 S N 1.802 117.516 115.700 0.023 0.000 2.615 548 S HA 0.531 4.657 4.470 -0.573 0.000 0.269 548 S C -0.157 174.529 174.600 0.143 0.000 1.161 548 S CA -0.259 57.949 58.200 0.013 0.000 0.817 548 S CB 1.229 64.427 63.200 -0.003 0.000 1.131 548 S HN 0.850 nan 8.310 nan 0.000 0.467 549 F N 1.913 121.850 119.950 -0.022 0.000 2.206 549 F HA 0.019 4.204 4.527 -0.570 0.000 0.298 549 F C 2.479 178.283 175.800 0.007 0.000 1.090 549 F CA 1.978 59.996 58.000 0.031 0.000 1.323 549 F CB -0.478 38.437 39.000 -0.142 0.000 1.028 549 F HN 0.647 nan 8.300 nan 0.000 0.492 550 S N 0.440 116.228 115.700 0.148 0.000 2.380 550 S HA -0.263 3.863 4.470 -0.573 0.000 0.229 550 S C 2.101 176.682 174.600 -0.032 0.000 1.043 550 S CA 1.347 59.575 58.200 0.047 0.000 1.038 550 S CB -0.426 62.773 63.200 -0.003 0.000 0.872 550 S HN 0.330 nan 8.310 nan 0.000 0.456 551 R N 0.477 120.953 120.500 -0.040 0.000 2.119 551 R HA 0.175 4.171 4.340 -0.573 0.000 0.222 551 R C 2.245 178.450 176.300 -0.158 0.000 1.088 551 R CA 0.461 56.517 56.100 -0.074 0.000 0.984 551 R CB -1.016 29.257 30.300 -0.044 0.000 0.884 551 R HN 0.387 nan 8.270 nan 0.000 0.447 552 L N 1.891 122.979 121.223 -0.226 0.000 2.137 552 L HA -0.174 3.822 4.340 -0.573 0.000 0.213 552 L C 2.039 178.667 176.870 -0.404 0.000 1.085 552 L CA 1.651 56.237 54.840 -0.424 0.000 0.760 552 L CB -0.253 41.405 42.059 -0.668 0.000 0.893 552 L HN 0.215 nan 8.230 nan 0.000 0.434 553 I N -5.765 114.598 120.570 -0.345 0.000 3.035 553 I HA -0.060 3.766 4.170 -0.573 0.000 0.271 553 I C 2.138 178.166 176.117 -0.148 0.000 1.190 553 I CA 0.484 61.645 61.300 -0.232 0.000 1.472 553 I CB -1.041 36.869 38.000 -0.150 0.000 1.116 553 I HN 0.061 nan 8.210 nan 0.000 0.443 554 c N 2.040 120.568 118.600 -0.120 0.000 2.446 554 c HA -0.032 4.194 4.570 -0.573 0.000 0.279 554 c C 1.949 175.971 174.090 -0.113 0.000 1.366 554 c CA 0.900 57.178 56.329 -0.085 0.000 1.763 554 c CB -1.042 41.435 42.510 -0.054 0.000 1.929 554 c HN 0.560 nan 8.230 nan 0.000 0.509 555 D N 0.193 120.505 120.400 -0.145 0.000 2.354 555 D HA 0.027 4.324 4.640 -0.573 0.000 0.209 555 D C 1.119 177.311 176.300 -0.179 0.000 1.015 555 D CA 0.716 54.625 54.000 -0.151 0.000 0.867 555 D CB -0.268 40.437 40.800 -0.158 0.000 0.933 555 D HN 0.458 nan 8.370 nan 0.000 0.520 556 N N -0.456 118.122 118.700 -0.204 0.000 2.184 556 N HA 0.090 4.487 4.740 -0.573 0.000 0.234 556 N C -0.434 174.931 175.510 -0.241 0.000 1.282 556 N CA 0.174 53.093 53.050 -0.217 0.000 0.877 556 N CB 1.760 40.118 38.487 -0.215 0.000 1.184 556 N HN -0.001 nan 8.380 nan 0.000 0.510 557 T N -1.816 112.578 114.554 -0.267 0.000 2.754 557 T HA 0.326 4.332 4.350 -0.573 0.000 0.296 557 T C -0.223 174.252 174.700 -0.373 0.000 1.205 557 T CA -0.457 61.473 62.100 -0.284 0.000 1.009 557 T CB 1.515 70.297 68.868 -0.142 0.000 1.368 557 T HN 0.031 nan 8.240 nan 0.000 0.509 558 H N 0.095 119.147 119.070 -0.030 0.000 2.487 558 H HA 0.399 4.612 4.556 -0.572 0.000 0.290 558 H C 0.482 175.792 175.328 -0.030 0.000 1.081 558 H CA -0.411 55.616 56.048 -0.034 0.000 1.116 558 H CB -0.279 29.451 29.762 -0.054 0.000 1.560 558 H HN 0.397 nan 8.280 nan 0.000 0.548 559 I N -0.312 120.284 120.570 0.043 0.000 2.471 559 I HA 0.186 4.012 4.170 -0.573 0.000 0.286 559 I C 0.649 176.819 176.117 0.090 0.000 1.079 559 I CA -0.036 61.300 61.300 0.060 0.000 1.398 559 I CB 1.402 39.437 38.000 0.058 0.000 1.403 559 I HN 0.052 nan 8.210 nan 0.000 0.530 560 T N 1.149 115.781 114.554 0.130 0.000 3.016 560 T HA 0.280 4.286 4.350 -0.573 0.000 0.271 560 T C 0.440 175.239 174.700 0.165 0.000 0.968 560 T CA -0.353 61.818 62.100 0.119 0.000 0.891 560 T CB 0.179 69.103 68.868 0.094 0.000 1.149 560 T HN 0.540 nan 8.240 nan 0.000 0.524 561 K N 2.585 123.144 120.400 0.265 0.000 2.394 561 K HA 0.664 4.641 4.320 -0.573 0.000 0.260 561 K C -0.756 176.144 176.600 0.500 0.000 0.967 561 K CA -0.517 55.979 56.287 0.348 0.000 0.855 561 K CB 2.616 35.374 32.500 0.431 0.000 1.101 561 K HN 0.305 nan 8.250 nan 0.000 0.433 562 V N -0.216 119.919 119.914 0.369 0.000 3.078 562 V HA 0.662 4.438 4.120 -0.573 0.000 0.311 562 V C -2.769 173.205 176.094 -0.201 0.000 1.138 562 V CA -2.604 59.848 62.300 0.253 0.000 1.007 562 V CB 2.187 34.096 31.823 0.143 0.000 1.045 562 V HN 0.467 nan 8.190 nan 0.000 0.432 563 P HA 0.282 nan 4.420 nan 0.000 0.276 563 P C 0.172 177.308 177.300 -0.274 0.000 1.244 563 P CA -0.254 62.465 63.100 -0.635 0.000 0.801 563 P CB 1.600 32.876 31.700 -0.706 0.000 1.006 564 L N 1.028 122.116 121.223 -0.224 0.000 2.418 564 L HA 0.090 4.087 4.340 -0.573 0.000 0.218 564 L C 0.734 177.319 176.870 -0.474 0.000 1.125 564 L CA 1.178 55.849 54.840 -0.281 0.000 0.835 564 L CB -0.909 40.998 42.059 -0.253 0.000 0.953 564 L HN 0.393 nan 8.230 nan 0.000 0.454 565 H N -0.976 118.053 119.070 -0.069 0.000 2.866 565 H HA 0.412 4.624 4.556 -0.574 0.000 0.287 565 H C 0.606 175.920 175.328 -0.023 0.000 1.106 565 H CA 0.264 56.307 56.048 -0.008 0.000 1.396 565 H CB 1.204 30.968 29.762 0.003 0.000 1.469 565 H HN 0.036 nan 8.280 nan 0.000 0.500 566 A N 2.371 125.227 122.820 0.060 0.000 2.206 566 A HA 0.008 3.985 4.320 -0.573 0.000 0.211 566 A C 0.980 178.465 177.584 -0.165 0.000 1.158 566 A CA 0.466 52.460 52.037 -0.071 0.000 0.761 566 A CB -0.400 18.544 19.000 -0.093 0.000 0.801 566 A HN 0.437 nan 8.150 nan 0.000 0.473 567 F N 0.036 120.006 119.950 0.033 0.000 2.727 567 F HA 0.149 4.322 4.527 -0.590 0.000 0.302 567 F C 1.252 177.073 175.800 0.034 0.000 1.097 567 F CA 0.286 58.326 58.000 0.067 0.000 1.330 567 F CB 0.350 39.416 39.000 0.109 0.000 1.084 567 F HN 0.407 nan 8.300 nan 0.000 0.578 568 Q N 0.253 120.138 119.800 0.142 0.000 2.387 568 Q HA 0.729 4.725 4.340 -0.573 0.000 0.273 568 Q C -0.783 175.244 176.000 0.045 0.000 1.089 568 Q CA -1.319 54.516 55.803 0.052 0.000 0.824 568 Q CB 2.081 30.825 28.738 0.009 0.000 1.367 568 Q HN -0.010 nan 8.270 nan 0.000 0.443 569 A N 3.221 126.061 122.820 0.034 0.000 2.476 569 A HA 0.334 4.310 4.320 -0.573 0.000 0.275 569 A C -0.819 176.804 177.584 0.065 0.000 1.133 569 A CA -0.197 51.877 52.037 0.061 0.000 0.797 569 A CB -0.897 18.134 19.000 0.052 0.000 1.081 569 A HN 0.784 nan 8.150 nan 0.000 0.510 570 N N 2.156 120.920 118.700 0.106 0.000 2.416 570 N HA 0.348 4.745 4.740 -0.573 0.000 0.276 570 N C -1.376 174.306 175.510 0.286 0.000 1.261 570 N CA -0.866 52.262 53.050 0.129 0.000 0.790 570 N CB 0.964 39.479 38.487 0.046 0.000 1.554 570 N HN 0.484 nan 8.380 nan 0.000 0.481 571 N N -0.383 118.491 118.700 0.290 0.000 2.361 571 N HA 0.215 4.611 4.740 -0.573 0.000 0.302 571 N C -1.411 174.308 175.510 0.349 0.000 1.074 571 N CA -0.382 52.846 53.050 0.298 0.000 0.850 571 N CB 1.942 40.525 38.487 0.159 0.000 1.228 571 N HN 0.511 nan 8.380 nan 0.000 0.491 572 Y N 3.006 123.273 120.300 -0.055 0.000 2.304 572 Y HA 0.254 4.460 4.550 -0.573 0.000 0.328 572 Y C -1.120 174.729 175.900 -0.086 0.000 1.123 572 Y CA -1.065 56.851 58.100 -0.307 0.000 1.218 572 Y CB 1.002 38.927 38.460 -0.892 0.000 1.207 572 Y HN 0.517 nan 8.280 nan 0.000 0.495 573 P HA -0.055 nan 4.420 nan 0.000 0.230 573 P C 0.977 178.066 177.300 -0.353 0.000 1.168 573 P CA 1.241 63.723 63.100 -1.031 0.000 0.793 573 P CB 0.212 31.444 31.700 -0.780 0.000 0.851 574 H N 1.446 120.421 119.070 -0.159 0.000 2.251 574 H HA -0.126 4.086 4.556 -0.573 0.000 0.294 574 H C 1.422 176.752 175.328 0.004 0.000 1.078 574 H CA 2.404 58.416 56.048 -0.060 0.000 1.246 574 H CB -0.241 29.507 29.762 -0.023 0.000 1.358 574 H HN -0.050 nan 8.280 nan 0.000 0.488 575 D N -0.353 120.201 120.400 0.256 0.000 2.371 575 D HA -0.064 4.233 4.640 -0.573 0.000 0.221 575 D C -0.378 175.911 176.300 -0.018 0.000 0.986 575 D CA 0.459 54.547 54.000 0.147 0.000 0.899 575 D CB -0.044 40.845 40.800 0.148 0.000 0.902 575 D HN 0.181 nan 8.370 nan 0.000 0.530 576 F N 0.799 120.690 119.950 -0.099 0.000 2.394 576 F HA 0.227 4.409 4.527 -0.574 0.000 0.340 576 F C 0.749 176.489 175.800 -0.101 0.000 1.105 576 F CA -0.937 57.010 58.000 -0.089 0.000 1.124 576 F CB 1.339 40.285 39.000 -0.091 0.000 1.145 576 F HN -0.310 nan 8.300 nan 0.000 0.505 577 V N -0.727 119.228 119.914 0.069 0.000 3.141 577 V HA 0.572 4.348 4.120 -0.573 0.000 0.312 577 V C -0.954 175.178 176.094 0.064 0.000 1.157 577 V CA -1.157 61.158 62.300 0.026 0.000 1.041 577 V CB 1.736 33.541 31.823 -0.030 0.000 1.071 577 V HN 0.585 nan 8.190 nan 0.000 0.441 578 D N 0.003 120.427 120.400 0.041 0.000 2.372 578 D HA 0.265 4.561 4.640 -0.573 0.000 0.243 578 D C 0.990 177.308 176.300 0.030 0.000 1.121 578 D CA 0.240 54.270 54.000 0.049 0.000 0.898 578 D CB 1.422 42.241 40.800 0.033 0.000 1.202 578 D HN 0.726 nan 8.370 nan 0.000 0.428 579 c N 1.289 119.910 118.600 0.036 0.000 2.403 579 c HA -0.175 4.051 4.570 -0.573 0.000 0.282 579 c C 2.686 176.774 174.090 -0.003 0.000 1.297 579 c CA 1.221 57.559 56.329 0.014 0.000 1.785 579 c CB -1.469 41.048 42.510 0.012 0.000 1.963 579 c HN 0.782 nan 8.230 nan 0.000 0.507 580 S N 1.744 117.445 115.700 0.001 0.000 2.370 580 S HA -0.147 3.980 4.470 -0.573 0.000 0.226 580 S C 1.842 176.435 174.600 -0.012 0.000 1.033 580 S CA 1.440 59.637 58.200 -0.006 0.000 1.011 580 S CB -0.558 62.641 63.200 -0.002 0.000 0.852 580 S HN 0.675 nan 8.310 nan 0.000 0.457 581 A N 0.836 123.648 122.820 -0.014 0.000 2.235 581 A HA 0.486 4.463 4.320 -0.573 0.000 0.208 581 A C 0.610 178.176 177.584 -0.031 0.000 1.172 581 A CA -0.052 51.973 52.037 -0.021 0.000 0.786 581 A CB -0.310 18.676 19.000 -0.023 0.000 0.804 581 A HN 0.369 nan 8.150 nan 0.000 0.479 582 V N 2.081 121.976 119.914 -0.031 0.000 2.394 582 V HA 0.156 3.932 4.120 -0.573 0.000 0.282 582 V C -0.786 175.287 176.094 -0.035 0.000 1.031 582 V CA -1.211 61.065 62.300 -0.041 0.000 0.881 582 V CB 1.272 33.070 31.823 -0.042 0.000 0.982 582 V HN 0.363 nan 8.190 nan 0.000 0.451 583 D N 4.850 125.228 120.400 -0.037 0.000 2.487 583 D HA 0.093 4.389 4.640 -0.573 0.000 0.243 583 D C 0.193 176.476 176.300 -0.030 0.000 1.154 583 D CA 0.442 54.425 54.000 -0.029 0.000 0.876 583 D CB 0.775 41.558 40.800 -0.028 0.000 1.161 583 D HN 0.479 nan 8.370 nan 0.000 0.478 584 K N 0.804 121.188 120.400 -0.027 0.000 2.098 584 K HA 0.391 4.367 4.320 -0.573 0.000 0.244 584 K C -0.077 176.505 176.600 -0.030 0.000 1.014 584 K CA -1.052 55.215 56.287 -0.034 0.000 0.917 584 K CB 0.917 33.396 32.500 -0.034 0.000 1.072 584 K HN 0.187 nan 8.250 nan 0.000 0.477 585 L N 1.997 123.195 121.223 -0.042 0.000 2.268 585 L HA 0.138 4.135 4.340 -0.573 0.000 0.289 585 L C -0.640 176.209 176.870 -0.034 0.000 1.064 585 L CA 0.006 54.821 54.840 -0.041 0.000 0.824 585 L CB 0.285 42.302 42.059 -0.071 0.000 1.202 585 L HN 0.423 nan 8.230 nan 0.000 0.433 586 D N 4.729 125.132 120.400 0.004 0.000 2.344 586 D HA 0.057 4.354 4.640 -0.573 0.000 0.253 586 D C 0.736 177.081 176.300 0.075 0.000 1.255 586 D CA 0.231 54.248 54.000 0.028 0.000 0.894 586 D CB 0.775 41.600 40.800 0.042 0.000 1.067 586 D HN 0.670 nan 8.370 nan 0.000 0.492 587 L N 2.919 124.161 121.223 0.032 0.000 2.611 587 L HA -0.056 3.941 4.340 -0.573 0.000 0.229 587 L C 2.324 179.324 176.870 0.217 0.000 1.137 587 L CA -0.021 54.847 54.840 0.046 0.000 0.901 587 L CB -0.025 41.942 42.059 -0.154 0.000 1.098 587 L HN 0.351 nan 8.230 nan 0.000 0.456 588 S N 0.330 116.128 115.700 0.163 0.000 2.359 588 S HA -0.106 4.020 4.470 -0.573 0.000 0.224 588 S C -0.510 174.199 174.600 0.182 0.000 1.035 588 S CA 0.874 59.155 58.200 0.134 0.000 1.018 588 S CB -1.774 61.472 63.200 0.076 0.000 0.876 588 S HN 0.243 nan 8.310 nan 0.000 0.448 589 P HA 0.007 nan 4.420 nan 0.000 0.231 589 P C -0.005 177.312 177.300 0.028 0.000 1.158 589 P CA 0.706 63.848 63.100 0.071 0.000 0.763 589 P CB -0.388 31.298 31.700 -0.024 0.000 0.805 590 W N -0.332 121.005 121.300 0.061 0.000 3.353 590 W HA 0.401 4.717 4.660 -0.573 0.000 0.304 590 W C 0.709 177.262 176.519 0.057 0.000 1.273 590 W CA -0.328 57.083 57.345 0.110 0.000 1.773 590 W CB -0.486 29.044 29.460 0.117 0.000 1.095 590 W HN -0.174 nan 8.180 nan 0.000 0.676 591 A N 0.666 123.588 122.820 0.170 0.000 2.309 591 A HA 0.555 4.531 4.320 -0.573 0.000 0.298 591 A C 0.409 178.051 177.584 0.098 0.000 1.165 591 A CA -0.257 51.808 52.037 0.046 0.000 0.821 591 A CB 0.898 19.910 19.000 0.019 0.000 1.102 591 A HN -0.023 nan 8.150 nan 0.000 0.500 592 S N 2.252 118.028 115.700 0.126 0.000 2.399 592 S HA 0.217 4.344 4.470 -0.573 0.000 0.198 592 S C 0.107 174.882 174.600 0.292 0.000 1.294 592 S CA -0.575 57.763 58.200 0.230 0.000 1.237 592 S CB -0.436 62.977 63.200 0.354 0.000 1.286 592 S HN 0.771 nan 8.310 nan 0.000 0.404 593 R N 1.550 122.147 120.500 0.161 0.000 2.486 593 R HA -0.090 3.907 4.340 -0.573 0.000 0.304 593 R C 1.460 177.730 176.300 -0.049 0.000 0.913 593 R CA 0.780 56.894 56.100 0.023 0.000 1.124 593 R CB 0.260 30.561 30.300 0.002 0.000 0.891 593 R HN 0.748 nan 8.270 nan 0.000 0.410 594 E N 3.626 123.665 120.200 -0.269 0.000 2.038 594 E HA -0.247 3.759 4.350 -0.573 0.000 0.195 594 E C 0.096 176.667 176.600 -0.049 0.000 1.000 594 E CA 1.286 57.605 56.400 -0.135 0.000 0.803 594 E CB 0.152 29.719 29.700 -0.221 0.000 0.750 594 E HN 0.554 nan 8.360 nan 0.000 0.448 595 N N 0.000 118.660 118.700 -0.066 0.000 1.763 595 N HA 0.000 4.396 4.740 -0.573 0.000 0.220 595 N CA 0.000 53.032 53.050 -0.030 0.000 0.885 595 N CB 0.000 38.469 38.487 -0.031 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667