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 7r1r_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNQNLLVTKR DGSTERINLD KIHRVLDWAA EGLHNVSISQ VELRSHIQFY DATA SEQUENCE DGIKTSDIHE TIIKAAADLI SRDAPDYQYL AARLAIFHLR KKAYGQFEPP DATA SEQUENCE ALYDHVVKMV EMGKYDNHLL EDYTEEEFKQ MDTFIDHDRD MTFSYAAVKQ DATA SEQUENCE LEGKYLVQNR VTGEIYESAQ FLYILVAACL FSNYPRETRL QYVKRFYDAV DATA SEQUENCE STFKISLPTP IMSGVRTPTR QFSScVLIEC GDSLDSINAT SSAIVKYVSQ DATA SEQUENCE RAGIGINAGR IRALGSPIRG GEAFHTGCIP FYKHFQTAVK SCSQGGVRGG DATA SEQUENCE AATLFYPMWH LEVESLLVLK NNRGVEGNRV RHMDYGVQIN KLMYTRLLKG DATA SEQUENCE EDITLFSPSD VPGLYDAFFA DQEEFERLYT KYEKDDSIRK QRVKAVELFS DATA SEQUENCE LMMQERASTG RIYIQNVDHC NTHSPFDPAI APVRQSNLCL QIALPTKPLN DATA SEQUENCE DVNDENGEIA LcTLSAFNLG AINNLDELEE LAILAVRALD ALLDYQDYPI DATA SEQUENCE PAAKRGAMGR RTLGIGVINF AYYLAKHGKR YSDGSANNLT HKTFEAIQYY DATA SEQUENCE LLKASNELAK EQGACPWFNE TTYAKGILPI DTYKKDLDTI ANEPLHYDWE DATA SEQUENCE ALRESIKTHG LRNSTLSALM PSETSSQISN ATNGIEPPRG YVSIKASKDG DATA SEQUENCE ILRQVVPDYE HLHDAYELLW EMPGNDGYLQ LVGIMQKFID QSISANTNYD DATA SEQUENCE PSRFPSGKVP MQQLLKDLLT AYKFGVKTLY YQNTRDGA 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.303 55.300 0.006 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 N N 1.225 119.928 118.700 0.005 0.000 2.528 2 N HA 0.138 4.878 4.740 0.001 0.000 0.266 2 N C -0.826 174.687 175.510 0.005 0.000 1.528 2 N CA 0.004 53.057 53.050 0.004 0.000 0.959 2 N CB 0.862 39.351 38.487 0.003 0.000 1.430 2 N HN 0.322 nan 8.380 nan 0.000 0.511 3 Q N 0.407 120.212 119.800 0.007 0.000 2.613 3 Q HA 0.269 4.609 4.340 0.001 0.000 0.228 3 Q C 0.951 176.956 176.000 0.009 0.000 1.318 3 Q CA 0.032 55.841 55.803 0.010 0.000 0.907 3 Q CB -0.005 28.741 28.738 0.013 0.000 1.593 3 Q HN 0.131 nan 8.270 nan 0.000 0.559 4 N N 2.053 120.755 118.700 0.004 0.000 2.124 4 N HA 0.096 4.837 4.740 0.001 0.000 0.189 4 N C -0.063 175.442 175.510 -0.009 0.000 1.050 4 N CA 0.443 53.492 53.050 -0.003 0.000 0.848 4 N CB 0.121 38.604 38.487 -0.007 0.000 1.027 4 N HN 0.456 nan 8.380 nan 0.000 0.435 5 L N 0.649 121.864 121.223 -0.012 0.000 1.545 5 L HA -0.103 4.237 4.340 0.001 0.000 0.629 5 L C -1.338 175.498 176.870 -0.057 0.000 1.008 5 L CA -0.275 54.549 54.840 -0.028 0.000 1.322 5 L CB -0.535 41.505 42.059 -0.032 0.000 2.157 5 L HN 0.136 nan 8.230 nan 0.000 1.048 6 L N 4.286 125.478 121.223 -0.052 0.000 2.278 6 L HA 0.454 4.794 4.340 0.001 0.000 0.287 6 L C 0.483 177.292 176.870 -0.102 0.000 1.072 6 L CA -0.696 54.108 54.840 -0.061 0.000 0.819 6 L CB 1.212 43.250 42.059 -0.035 0.000 1.176 6 L HN 0.183 nan 8.230 nan 0.000 0.435 7 V N 2.211 122.051 119.914 -0.124 0.000 2.732 7 V HA 0.250 4.371 4.120 0.001 0.000 0.297 7 V C 0.681 176.706 176.094 -0.115 0.000 1.060 7 V CA -0.312 61.888 62.300 -0.167 0.000 1.038 7 V CB 1.634 33.347 31.823 -0.183 0.000 1.003 7 V HN 0.872 nan 8.190 nan 0.000 0.481 8 T N 3.534 118.020 114.554 -0.113 0.000 2.797 8 T HA 0.513 4.864 4.350 0.001 0.000 0.279 8 T C -0.450 174.211 174.700 -0.066 0.000 0.991 8 T CA -0.868 61.191 62.100 -0.068 0.000 0.979 8 T CB 1.064 69.908 68.868 -0.040 0.000 0.943 8 T HN 0.604 nan 8.240 nan 0.000 0.444 9 K N 2.388 122.763 120.400 -0.043 0.000 2.148 9 K HA 0.444 4.765 4.320 0.001 0.000 0.239 9 K C -0.027 176.564 176.600 -0.015 0.000 1.018 9 K CA -1.079 55.189 56.287 -0.031 0.000 0.923 9 K CB 0.705 33.194 32.500 -0.018 0.000 1.117 9 K HN 0.556 nan 8.250 nan 0.000 0.477 10 R N 1.933 122.430 120.500 -0.005 0.000 2.483 10 R HA -0.034 4.306 4.340 0.001 0.000 0.329 10 R C -0.772 175.528 176.300 0.001 0.000 0.961 10 R CA 0.191 56.292 56.100 0.002 0.000 1.041 10 R CB -0.783 29.522 30.300 0.007 0.000 0.930 10 R HN 0.456 nan 8.270 nan 0.000 0.413 11 D N 2.625 123.026 120.400 0.001 0.000 3.421 11 D HA -0.193 4.447 4.640 0.001 0.000 0.191 11 D C 0.856 177.156 176.300 0.000 0.000 1.267 11 D CA 1.810 55.811 54.000 0.001 0.000 0.702 11 D CB -0.604 40.198 40.800 0.003 0.000 0.925 11 D HN 0.904 nan 8.370 nan 0.000 0.424 12 G N -0.719 108.080 108.800 -0.002 0.000 3.934 12 G HA2 0.182 4.142 3.960 0.001 0.000 0.212 12 G HA3 0.182 4.142 3.960 0.001 0.000 0.212 12 G C 0.806 175.702 174.900 -0.007 0.000 1.126 12 G CA 0.760 45.859 45.100 -0.003 0.000 0.877 12 G HN 0.379 nan 8.290 nan 0.000 0.556 13 S N 0.316 116.011 115.700 -0.008 0.000 3.898 13 S HA -0.282 4.188 4.470 0.001 0.000 0.549 13 S C 1.237 175.826 174.600 -0.018 0.000 2.085 13 S CA 1.747 59.940 58.200 -0.012 0.000 4.077 13 S CB -1.739 61.457 63.200 -0.006 0.000 1.039 13 S HN 1.633 nan 8.310 nan 0.000 0.777 14 T N 1.793 116.337 114.554 -0.016 0.000 2.882 14 T HA 0.295 4.645 4.350 0.001 0.000 0.330 14 T C 0.043 174.728 174.700 -0.024 0.000 1.075 14 T CA 0.979 63.067 62.100 -0.021 0.000 1.129 14 T CB 0.098 68.958 68.868 -0.013 0.000 1.071 14 T HN 0.876 nan 8.240 nan 0.000 0.531 15 E N 0.246 120.428 120.200 -0.031 0.000 2.500 15 E HA 0.215 4.565 4.350 0.001 0.000 0.288 15 E C -0.939 175.638 176.600 -0.039 0.000 1.147 15 E CA -0.885 55.497 56.400 -0.030 0.000 0.916 15 E CB 1.042 30.724 29.700 -0.030 0.000 1.181 15 E HN 0.675 nan 8.360 nan 0.000 0.433 16 R N 1.644 122.125 120.500 -0.031 0.000 2.822 16 R HA 0.316 4.656 4.340 0.001 0.000 0.277 16 R C 0.512 176.782 176.300 -0.050 0.000 1.102 16 R CA -0.331 55.748 56.100 -0.035 0.000 1.207 16 R CB 0.275 30.562 30.300 -0.022 0.000 1.139 16 R HN 0.388 nan 8.270 nan 0.000 0.557 17 I N 1.499 122.036 120.570 -0.055 0.000 2.638 17 I HA 0.002 4.172 4.170 0.001 0.000 0.286 17 I C -0.265 175.826 176.117 -0.044 0.000 1.088 17 I CA 0.150 61.407 61.300 -0.073 0.000 1.397 17 I CB 0.813 38.768 38.000 -0.074 0.000 1.414 17 I HN 0.549 nan 8.210 nan 0.000 0.566 18 N N 6.723 125.396 118.700 -0.044 0.000 2.762 18 N HA 0.240 4.981 4.740 0.001 0.000 0.252 18 N C 0.537 176.060 175.510 0.021 0.000 1.269 18 N CA -0.264 52.784 53.050 -0.004 0.000 0.799 18 N CB 0.639 39.131 38.487 0.008 0.000 1.173 18 N HN 0.499 nan 8.380 nan 0.000 0.516 19 L N -0.065 121.178 121.223 0.034 0.000 2.376 19 L HA 0.018 4.359 4.340 0.001 0.000 0.219 19 L C 1.075 178.030 176.870 0.142 0.000 1.133 19 L CA 0.675 55.572 54.840 0.095 0.000 0.816 19 L CB 0.136 42.256 42.059 0.102 0.000 0.933 19 L HN 0.248 nan 8.230 nan 0.000 0.449 20 D N 0.093 120.547 120.400 0.091 0.000 2.183 20 D HA -0.103 4.537 4.640 0.001 0.000 0.205 20 D C 2.103 178.471 176.300 0.113 0.000 0.962 20 D CA 0.719 54.776 54.000 0.095 0.000 0.849 20 D CB 0.224 41.051 40.800 0.046 0.000 0.978 20 D HN 0.157 nan 8.370 nan 0.000 0.488 21 K N 0.625 121.076 120.400 0.084 0.000 2.009 21 K HA -0.107 4.213 4.320 0.001 0.000 0.210 21 K C 2.262 178.915 176.600 0.090 0.000 1.049 21 K CA 0.778 57.109 56.287 0.074 0.000 0.929 21 K CB -0.113 32.428 32.500 0.068 0.000 0.714 21 K HN 0.102 nan 8.250 nan 0.000 0.440 22 I N -0.179 120.468 120.570 0.127 0.000 2.118 22 I HA -0.356 3.814 4.170 0.001 0.000 0.241 22 I C 2.480 178.694 176.117 0.161 0.000 1.070 22 I CA 1.787 63.185 61.300 0.164 0.000 1.327 22 I CB -0.530 37.616 38.000 0.243 0.000 1.034 22 I HN 0.335 nan 8.210 nan 0.000 0.405 23 H N 1.179 120.310 119.070 0.103 0.000 2.290 23 H HA -0.151 4.406 4.556 0.001 0.000 0.298 23 H C 2.455 177.809 175.328 0.044 0.000 1.087 23 H CA 1.918 58.010 56.048 0.073 0.000 1.291 23 H CB 0.018 29.820 29.762 0.066 0.000 1.369 23 H HN 0.084 nan 8.280 nan 0.000 0.492 24 R N -0.384 120.200 120.500 0.140 0.000 2.115 24 R HA -0.177 4.163 4.340 0.001 0.000 0.239 24 R C 2.417 178.708 176.300 -0.015 0.000 1.133 24 R CA 2.020 58.152 56.100 0.054 0.000 0.935 24 R CB -0.753 29.574 30.300 0.045 0.000 0.853 24 R HN 0.226 nan 8.270 nan 0.000 0.433 25 V N 1.630 121.499 119.914 -0.075 0.000 2.278 25 V HA -0.291 3.829 4.120 0.001 0.000 0.251 25 V C 2.420 178.519 176.094 0.009 0.000 1.062 25 V CA 1.948 64.142 62.300 -0.176 0.000 1.038 25 V CB -0.622 30.968 31.823 -0.387 0.000 0.646 25 V HN 0.280 nan 8.190 nan 0.000 0.447 26 L N -0.010 121.185 121.223 -0.046 0.000 1.976 26 L HA -0.229 4.111 4.340 0.001 0.000 0.209 26 L C 2.495 179.298 176.870 -0.111 0.000 1.071 26 L CA 2.245 57.042 54.840 -0.072 0.000 0.746 26 L CB -0.742 41.243 42.059 -0.123 0.000 0.890 26 L HN 0.394 nan 8.230 nan 0.000 0.432 27 D N -0.831 119.452 120.400 -0.194 0.000 2.133 27 D HA -0.310 4.330 4.640 0.001 0.000 0.192 27 D C 1.839 178.109 176.300 -0.050 0.000 1.001 27 D CA 1.781 55.681 54.000 -0.166 0.000 0.844 27 D CB -0.243 40.455 40.800 -0.170 0.000 0.944 27 D HN 0.376 nan 8.370 nan 0.000 0.447 28 W N 1.461 122.663 121.300 -0.163 0.000 2.311 28 W HA -0.245 4.415 4.660 0.001 0.000 0.326 28 W C 2.393 178.845 176.519 -0.112 0.000 1.239 28 W CA 2.961 60.223 57.345 -0.139 0.000 1.258 28 W CB -1.086 28.260 29.460 -0.191 0.000 1.165 28 W HN 0.043 nan 8.180 nan 0.000 0.466 29 A N 1.037 123.551 122.820 -0.510 0.000 1.927 29 A HA -0.191 4.129 4.320 0.001 0.000 0.220 29 A C 2.158 179.451 177.584 -0.486 0.000 1.185 29 A CA 3.262 54.814 52.037 -0.808 0.000 0.639 29 A CB -1.718 17.086 19.000 -0.328 0.000 0.820 29 A HN 0.721 nan 8.150 nan 0.000 0.451 30 A N -0.892 121.750 122.820 -0.298 0.000 2.067 30 A HA 0.034 4.355 4.320 0.001 0.000 0.219 30 A C 0.903 178.342 177.584 -0.243 0.000 1.158 30 A CA 0.664 52.561 52.037 -0.232 0.000 0.661 30 A CB -0.337 18.553 19.000 -0.183 0.000 0.801 30 A HN 0.382 nan 8.150 nan 0.000 0.452 31 E N -0.104 119.942 120.200 -0.257 0.000 3.072 31 E HA 0.145 4.495 4.350 0.001 0.000 0.241 31 E C 1.270 177.749 176.600 -0.202 0.000 0.962 31 E CA 1.029 57.306 56.400 -0.206 0.000 0.955 31 E CB -0.665 28.921 29.700 -0.190 0.000 0.899 31 E HN 0.810 nan 8.360 nan 0.000 0.547 32 G N 2.767 111.447 108.800 -0.199 0.000 2.176 32 G HA2 -0.277 3.684 3.960 0.001 0.000 0.253 32 G HA3 -0.277 3.684 3.960 0.001 0.000 0.253 32 G C 0.299 175.040 174.900 -0.266 0.000 0.979 32 G CA 0.299 45.281 45.100 -0.196 0.000 0.641 32 G HN 0.404 nan 8.290 nan 0.000 0.530 33 L N 0.928 121.972 121.223 -0.298 0.000 2.399 33 L HA 0.673 5.014 4.340 0.001 0.000 0.265 33 L C 0.442 177.027 176.870 -0.475 0.000 1.089 33 L CA -1.162 53.523 54.840 -0.258 0.000 0.802 33 L CB 0.988 42.946 42.059 -0.167 0.000 1.180 33 L HN 0.069 nan 8.230 nan 0.000 0.454 34 H N 1.510 120.533 119.070 -0.079 0.000 2.495 34 H HA 0.263 4.819 4.556 0.001 0.000 0.348 34 H C -0.307 174.954 175.328 -0.112 0.000 1.113 34 H CA -0.565 55.438 56.048 -0.074 0.000 1.195 34 H CB 1.746 31.487 29.762 -0.035 0.000 1.521 34 H HN 0.677 nan 8.280 nan 0.000 0.509 35 N N -0.239 118.450 118.700 -0.018 0.000 2.882 35 N HA -0.183 4.557 4.740 0.001 0.000 0.249 35 N C -0.575 174.807 175.510 -0.214 0.000 1.079 35 N CA 0.820 53.830 53.050 -0.068 0.000 0.800 35 N CB -0.823 37.645 38.487 -0.032 0.000 1.124 35 N HN 0.347 nan 8.380 nan 0.000 0.557 36 V N -2.792 116.943 119.914 -0.299 0.000 2.459 36 V HA 0.753 4.873 4.120 0.001 0.000 0.295 36 V C 0.383 176.398 176.094 -0.131 0.000 1.029 36 V CA -0.654 61.352 62.300 -0.489 0.000 0.874 36 V CB 2.086 33.472 31.823 -0.727 0.000 0.985 36 V HN 0.073 nan 8.190 nan 0.000 0.438 37 S N 4.044 119.792 115.700 0.080 0.000 2.404 37 S HA 0.507 4.978 4.470 0.001 0.000 0.309 37 S C 0.933 175.574 174.600 0.069 0.000 1.076 37 S CA -0.637 57.603 58.200 0.068 0.000 1.095 37 S CB 0.290 63.539 63.200 0.082 0.000 0.972 37 S HN 0.720 nan 8.310 nan 0.000 0.484 38 I N 4.126 124.701 120.570 0.007 0.000 2.226 38 I HA -0.200 3.970 4.170 0.001 0.000 0.245 38 I C 2.664 178.775 176.117 -0.011 0.000 1.100 38 I CA 1.490 62.779 61.300 -0.019 0.000 1.374 38 I CB -0.404 37.540 38.000 -0.093 0.000 1.057 38 I HN 0.769 nan 8.210 nan 0.000 0.413 39 S N 0.242 115.947 115.700 0.009 0.000 2.359 39 S HA -0.302 4.168 4.470 0.001 0.000 0.224 39 S C 2.062 176.629 174.600 -0.054 0.000 1.035 39 S CA 1.056 59.246 58.200 -0.016 0.000 1.018 39 S CB -0.561 62.638 63.200 -0.002 0.000 0.876 39 S HN 0.366 nan 8.310 nan 0.000 0.448 40 Q N 1.196 120.982 119.800 -0.024 0.000 2.096 40 Q HA -0.084 4.256 4.340 0.001 0.000 0.208 40 Q C 2.472 178.422 176.000 -0.083 0.000 0.993 40 Q CA 1.866 57.645 55.803 -0.041 0.000 0.862 40 Q CB -1.210 27.528 28.738 0.000 0.000 0.915 40 Q HN 0.569 nan 8.270 nan 0.000 0.416 41 V N 0.913 120.790 119.914 -0.063 0.000 2.295 41 V HA -0.262 3.858 4.120 0.001 0.000 0.246 41 V C 2.207 178.211 176.094 -0.151 0.000 1.049 41 V CA 2.146 64.391 62.300 -0.090 0.000 1.024 41 V CB -0.558 31.247 31.823 -0.031 0.000 0.648 41 V HN 0.422 nan 8.190 nan 0.000 0.447 42 E N -0.045 120.034 120.200 -0.202 0.000 2.058 42 E HA -0.226 4.125 4.350 0.001 0.000 0.194 42 E C 2.281 178.582 176.600 -0.498 0.000 0.997 42 E CA 1.437 57.551 56.400 -0.477 0.000 0.801 42 E CB -0.265 29.132 29.700 -0.504 0.000 0.746 42 E HN 0.471 nan 8.360 nan 0.000 0.450 43 L N 0.464 121.519 121.223 -0.279 0.000 1.990 43 L HA -0.258 4.082 4.340 0.001 0.000 0.213 43 L C 2.639 179.404 176.870 -0.176 0.000 1.072 43 L CA 1.493 56.217 54.840 -0.193 0.000 0.755 43 L CB -0.291 41.697 42.059 -0.119 0.000 0.889 43 L HN 0.068 nan 8.230 nan 0.000 0.432 44 R N -0.570 119.834 120.500 -0.159 0.000 2.120 44 R HA -0.131 4.209 4.340 0.001 0.000 0.234 44 R C 2.426 178.632 176.300 -0.157 0.000 1.123 44 R CA 1.655 57.673 56.100 -0.136 0.000 0.975 44 R CB -0.156 30.069 30.300 -0.125 0.000 0.866 44 R HN 0.504 nan 8.270 nan 0.000 0.446 45 S N -1.287 114.287 115.700 -0.211 0.000 2.441 45 S HA 0.006 4.476 4.470 0.001 0.000 0.224 45 S C 1.621 175.773 174.600 -0.747 0.000 1.043 45 S CA 0.193 58.220 58.200 -0.288 0.000 0.948 45 S CB -0.333 62.794 63.200 -0.121 0.000 0.810 45 S HN 0.414 nan 8.310 nan 0.000 0.504 46 H N 0.627 119.173 119.070 -0.873 0.000 2.387 46 H HA 0.066 4.622 4.556 0.001 0.000 0.299 46 H C 1.944 176.942 175.328 -0.551 0.000 1.090 46 H CA 1.146 56.575 56.048 -1.032 0.000 1.332 46 H CB -0.121 29.387 29.762 -0.422 0.000 1.386 46 H HN 0.283 nan 8.280 nan 0.000 0.516 47 I N 1.791 122.245 120.570 -0.194 0.000 2.657 47 I HA -0.241 3.930 4.170 0.001 0.000 0.261 47 I C 1.525 177.617 176.117 -0.042 0.000 1.212 47 I CA 1.432 62.682 61.300 -0.084 0.000 1.453 47 I CB -0.153 37.809 38.000 -0.063 0.000 1.092 47 I HN 0.321 nan 8.210 nan 0.000 0.452 48 Q N -1.047 118.709 119.800 -0.075 0.000 2.198 48 Q HA 0.155 4.495 4.340 0.001 0.000 0.209 48 Q C -0.307 175.876 176.000 0.306 0.000 0.848 48 Q CA -0.291 55.575 55.803 0.105 0.000 0.974 48 Q CB 0.022 28.820 28.738 0.100 0.000 1.115 48 Q HN 0.161 nan 8.270 nan 0.000 0.494 49 F N 2.209 122.183 119.950 0.040 0.000 2.399 49 F HA 0.288 4.815 4.527 0.001 0.000 0.342 49 F C 0.067 175.864 175.800 -0.006 0.000 1.106 49 F CA -1.830 56.115 58.000 -0.092 0.000 1.196 49 F CB 0.109 39.022 39.000 -0.145 0.000 1.163 49 F HN 0.031 nan 8.300 nan 0.000 0.547 50 Y N -0.875 119.510 120.300 0.142 0.000 2.545 50 Y HA 0.417 4.967 4.550 0.001 0.000 0.348 50 Y C 0.713 176.624 175.900 0.020 0.000 1.002 50 Y CA -1.421 56.719 58.100 0.067 0.000 1.039 50 Y CB 0.246 38.734 38.460 0.047 0.000 1.271 50 Y HN 0.460 nan 8.280 nan 0.000 0.467 51 D N 2.373 122.876 120.400 0.173 0.000 2.564 51 D HA -0.210 4.431 4.640 0.001 0.000 0.209 51 D C 1.411 177.725 176.300 0.024 0.000 1.075 51 D CA 2.523 56.567 54.000 0.074 0.000 0.922 51 D CB -0.500 40.347 40.800 0.079 0.000 1.186 51 D HN 0.965 nan 8.370 nan 0.000 0.487 52 G N 0.413 109.273 108.800 0.100 0.000 3.741 52 G HA2 0.293 4.253 3.960 0.001 0.000 0.263 52 G HA3 0.293 4.253 3.960 0.001 0.000 0.263 52 G C 0.460 175.346 174.900 -0.024 0.000 1.175 52 G CA -0.411 44.704 45.100 0.025 0.000 1.642 52 G HN 0.360 nan 8.290 nan 0.000 0.644 53 I N 0.761 121.157 120.570 -0.290 0.000 2.529 53 I HA 0.270 4.440 4.170 0.001 0.000 0.284 53 I C 0.608 176.555 176.117 -0.283 0.000 1.082 53 I CA -0.970 60.047 61.300 -0.472 0.000 1.406 53 I CB 0.745 38.071 38.000 -1.125 0.000 1.405 53 I HN 0.232 nan 8.210 nan 0.000 0.548 54 K N 4.088 124.388 120.400 -0.167 0.000 2.258 54 K HA 0.131 4.451 4.320 0.001 0.000 0.264 54 K C 1.025 177.485 176.600 -0.234 0.000 1.007 54 K CA 0.094 56.293 56.287 -0.146 0.000 0.941 54 K CB 0.482 32.943 32.500 -0.065 0.000 0.966 54 K HN 0.779 nan 8.250 nan 0.000 0.480 55 T N -1.663 112.752 114.554 -0.232 0.000 2.699 55 T HA -0.294 4.056 4.350 0.001 0.000 0.268 55 T C 2.218 176.647 174.700 -0.452 0.000 1.036 55 T CA 1.960 63.846 62.100 -0.356 0.000 1.147 55 T CB -0.614 68.103 68.868 -0.251 0.000 0.862 55 T HN 0.741 nan 8.240 nan 0.000 0.446 56 S N 2.143 117.730 115.700 -0.188 0.000 2.374 56 S HA -0.229 4.241 4.470 0.001 0.000 0.227 56 S C 1.744 176.272 174.600 -0.120 0.000 1.037 56 S CA 1.698 59.881 58.200 -0.029 0.000 1.024 56 S CB -0.876 62.391 63.200 0.111 0.000 0.861 56 S HN 0.553 nan 8.310 nan 0.000 0.456 57 D N 1.716 122.037 120.400 -0.130 0.000 2.144 57 D HA 0.030 4.671 4.640 0.001 0.000 0.200 57 D C 2.102 178.326 176.300 -0.126 0.000 0.978 57 D CA 1.031 54.976 54.000 -0.092 0.000 0.833 57 D CB -0.373 40.395 40.800 -0.053 0.000 0.961 57 D HN 0.427 nan 8.370 nan 0.000 0.470 58 I N 0.826 121.214 120.570 -0.303 0.000 2.151 58 I HA -0.298 3.872 4.170 0.001 0.000 0.243 58 I C 2.141 178.245 176.117 -0.021 0.000 1.080 58 I CA 1.531 62.642 61.300 -0.316 0.000 1.339 58 I CB -1.111 36.552 38.000 -0.561 0.000 1.039 58 I HN 0.225 nan 8.210 nan 0.000 0.409 59 H N 0.580 119.614 119.070 -0.059 0.000 2.321 59 H HA -0.125 4.431 4.556 0.001 0.000 0.300 59 H C 2.277 177.533 175.328 -0.121 0.000 1.087 59 H CA 0.992 56.992 56.048 -0.080 0.000 1.319 59 H CB 0.103 29.731 29.762 -0.223 0.000 1.379 59 H HN 0.296 nan 8.280 nan 0.000 0.501 60 E N 0.410 120.578 120.200 -0.053 0.000 2.085 60 E HA -0.144 4.207 4.350 0.001 0.000 0.194 60 E C 2.309 178.942 176.600 0.054 0.000 0.994 60 E CA 1.492 57.880 56.400 -0.020 0.000 0.801 60 E CB -0.525 29.171 29.700 -0.007 0.000 0.743 60 E HN 0.476 nan 8.360 nan 0.000 0.453 61 T N 2.744 117.357 114.554 0.099 0.000 2.674 61 T HA -0.115 4.235 4.350 0.001 0.000 0.265 61 T C 2.156 176.930 174.700 0.123 0.000 1.039 61 T CA 1.538 63.723 62.100 0.141 0.000 1.150 61 T CB -0.370 68.667 68.868 0.282 0.000 0.864 61 T HN 0.370 nan 8.240 nan 0.000 0.427 62 I N -0.276 120.403 120.570 0.181 0.000 2.315 62 I HA -0.085 4.086 4.170 0.001 0.000 0.248 62 I C 2.220 178.369 176.117 0.053 0.000 1.117 62 I CA 1.577 62.960 61.300 0.138 0.000 1.404 62 I CB -0.731 37.397 38.000 0.214 0.000 1.071 62 I HN 0.178 nan 8.210 nan 0.000 0.419 63 I N 1.457 122.060 120.570 0.054 0.000 2.127 63 I HA -0.277 3.894 4.170 0.001 0.000 0.241 63 I C 2.860 178.908 176.117 -0.116 0.000 1.075 63 I CA 1.653 62.947 61.300 -0.010 0.000 1.334 63 I CB -0.519 37.522 38.000 0.069 0.000 1.040 63 I HN 0.213 nan 8.210 nan 0.000 0.405 64 K N 0.753 121.124 120.400 -0.048 0.000 2.020 64 K HA -0.243 4.078 4.320 0.001 0.000 0.212 64 K C 2.256 178.782 176.600 -0.124 0.000 1.050 64 K CA 1.734 57.978 56.287 -0.073 0.000 0.929 64 K CB -0.341 32.156 32.500 -0.005 0.000 0.714 64 K HN 0.341 nan 8.250 nan 0.000 0.443 65 A N 1.382 124.147 122.820 -0.092 0.000 1.869 65 A HA -0.281 4.040 4.320 0.001 0.000 0.218 65 A C 2.362 179.823 177.584 -0.205 0.000 1.203 65 A CA 2.628 54.589 52.037 -0.126 0.000 0.638 65 A CB -1.017 17.930 19.000 -0.087 0.000 0.831 65 A HN 0.457 nan 8.150 nan 0.000 0.450 66 A N -0.517 122.196 122.820 -0.179 0.000 1.883 66 A HA 0.091 4.412 4.320 0.001 0.000 0.217 66 A C 2.559 179.960 177.584 -0.306 0.000 1.186 66 A CA 2.647 54.567 52.037 -0.196 0.000 0.624 66 A CB -1.188 17.765 19.000 -0.080 0.000 0.822 66 A HN 1.299 nan 8.150 nan 0.000 0.444 67 A N -0.275 122.319 122.820 -0.378 0.000 1.972 67 A HA -0.153 4.167 4.320 0.001 0.000 0.219 67 A C 1.591 179.021 177.584 -0.256 0.000 1.169 67 A CA 1.741 53.521 52.037 -0.429 0.000 0.635 67 A CB -0.541 18.002 19.000 -0.760 0.000 0.810 67 A HN 0.468 nan 8.150 nan 0.000 0.446 68 D N -0.206 120.055 120.400 -0.231 0.000 2.378 68 D HA -0.018 4.622 4.640 0.001 0.000 0.222 68 D C 1.367 177.513 176.300 -0.256 0.000 0.980 68 D CA 0.652 54.539 54.000 -0.187 0.000 0.907 68 D CB -0.060 40.654 40.800 -0.143 0.000 0.899 68 D HN 0.497 nan 8.370 nan 0.000 0.527 69 L N 0.205 121.163 121.223 -0.441 0.000 2.607 69 L HA 0.209 4.549 4.340 0.001 0.000 0.228 69 L C 0.851 177.516 176.870 -0.341 0.000 1.123 69 L CA -0.242 54.240 54.840 -0.597 0.000 0.890 69 L CB 0.224 41.455 42.059 -1.379 0.000 1.103 69 L HN -0.147 nan 8.230 nan 0.000 0.468 70 I N 0.943 121.413 120.570 -0.166 0.000 2.845 70 I HA -0.101 4.069 4.170 0.001 0.000 0.296 70 I C 0.687 176.802 176.117 -0.004 0.000 1.216 70 I CA 0.815 62.125 61.300 0.017 0.000 1.438 70 I CB 0.377 38.370 38.000 -0.010 0.000 1.342 70 I HN 0.279 nan 8.210 nan 0.000 0.577 71 S N 5.126 120.840 115.700 0.023 0.000 2.611 71 S HA 0.419 4.889 4.470 0.001 0.000 0.268 71 S C 0.518 175.059 174.600 -0.097 0.000 1.156 71 S CA -1.169 57.010 58.200 -0.037 0.000 0.817 71 S CB 1.440 64.629 63.200 -0.017 0.000 1.122 71 S HN 0.619 nan 8.310 nan 0.000 0.466 72 R N 0.971 121.351 120.500 -0.199 0.000 2.103 72 R HA -0.120 4.220 4.340 0.001 0.000 0.242 72 R C 0.468 176.626 176.300 -0.238 0.000 1.142 72 R CA 2.282 58.107 56.100 -0.458 0.000 0.960 72 R CB -1.016 28.922 30.300 -0.602 0.000 0.858 72 R HN 0.782 nan 8.270 nan 0.000 0.439 73 D N 0.150 120.504 120.400 -0.077 0.000 2.348 73 D HA 0.115 4.755 4.640 0.001 0.000 0.211 73 D C 0.163 176.482 176.300 0.033 0.000 0.998 73 D CA 0.628 54.635 54.000 0.011 0.000 0.873 73 D CB 0.535 41.340 40.800 0.009 0.000 0.925 73 D HN 0.285 nan 8.370 nan 0.000 0.524 74 A N 1.112 123.960 122.820 0.046 0.000 3.216 74 A HA 0.364 4.684 4.320 0.001 0.000 0.321 74 A C -2.034 175.590 177.584 0.067 0.000 1.042 74 A CA -0.979 51.096 52.037 0.065 0.000 0.838 74 A CB 0.796 19.902 19.000 0.176 0.000 1.136 74 A HN -0.118 nan 8.150 nan 0.000 0.483 75 P HA -0.018 nan 4.420 nan 0.000 0.231 75 P C 0.374 177.687 177.300 0.022 0.000 1.168 75 P CA 0.885 64.005 63.100 0.033 0.000 0.779 75 P CB 0.368 32.110 31.700 0.070 0.000 0.844 76 D N -1.358 119.047 120.400 0.009 0.000 2.310 76 D HA -0.126 4.514 4.640 0.001 0.000 0.212 76 D C 1.576 177.828 176.300 -0.080 0.000 0.965 76 D CA 0.763 54.781 54.000 0.030 0.000 0.879 76 D CB -0.713 40.084 40.800 -0.005 0.000 0.921 76 D HN 0.135 nan 8.370 nan 0.000 0.510 77 Y N 1.828 122.108 120.300 -0.034 0.000 2.151 77 Y HA -0.254 4.297 4.550 0.001 0.000 0.284 77 Y C 2.374 178.196 175.900 -0.129 0.000 1.166 77 Y CA 1.155 59.206 58.100 -0.081 0.000 1.163 77 Y CB -0.571 37.834 38.460 -0.093 0.000 0.974 77 Y HN 0.160 nan 8.280 nan 0.000 0.511 78 Q N -1.331 118.436 119.800 -0.055 0.000 2.096 78 Q HA -0.275 4.065 4.340 0.001 0.000 0.208 78 Q C 1.886 177.743 176.000 -0.237 0.000 0.993 78 Q CA 2.225 57.908 55.803 -0.199 0.000 0.862 78 Q CB -0.836 27.622 28.738 -0.467 0.000 0.915 78 Q HN 0.546 nan 8.270 nan 0.000 0.416 79 Y N 0.508 120.848 120.300 0.067 0.000 2.263 79 Y HA -0.127 4.423 4.550 0.001 0.000 0.292 79 Y C 2.161 178.065 175.900 0.008 0.000 1.130 79 Y CA 0.590 58.717 58.100 0.046 0.000 1.179 79 Y CB -0.545 37.918 38.460 0.004 0.000 0.998 79 Y HN 0.092 nan 8.280 nan 0.000 0.532 80 L N 0.440 121.712 121.223 0.081 0.000 2.012 80 L HA -0.173 4.167 4.340 0.001 0.000 0.210 80 L C 2.365 179.254 176.870 0.032 0.000 1.073 80 L CA 2.090 56.938 54.840 0.014 0.000 0.748 80 L CB -1.124 40.940 42.059 0.009 0.000 0.891 80 L HN 0.134 nan 8.230 nan 0.000 0.431 81 A N -0.365 122.457 122.820 0.005 0.000 1.858 81 A HA -0.135 4.185 4.320 0.001 0.000 0.216 81 A C 2.486 180.149 177.584 0.131 0.000 1.190 81 A CA 2.169 54.142 52.037 -0.108 0.000 0.617 81 A CB -1.378 17.307 19.000 -0.525 0.000 0.827 81 A HN 0.624 nan 8.150 nan 0.000 0.443 82 A N -0.241 122.730 122.820 0.252 0.000 1.873 82 A HA -0.254 4.066 4.320 0.001 0.000 0.218 82 A C 2.254 180.031 177.584 0.322 0.000 1.193 82 A CA 2.003 54.259 52.037 0.365 0.000 0.629 82 A CB -0.575 18.633 19.000 0.347 0.000 0.826 82 A HN 0.554 nan 8.150 nan 0.000 0.447 83 R N -0.823 119.819 120.500 0.238 0.000 2.091 83 R HA -0.079 4.261 4.340 0.001 0.000 0.238 83 R C 2.161 178.674 176.300 0.355 0.000 1.136 83 R CA 1.560 57.787 56.100 0.211 0.000 0.959 83 R CB -0.543 29.676 30.300 -0.135 0.000 0.856 83 R HN 0.550 nan 8.270 nan 0.000 0.437 84 L N -0.051 121.328 121.223 0.260 0.000 1.989 84 L HA -0.228 4.112 4.340 0.001 0.000 0.211 84 L C 2.676 179.782 176.870 0.393 0.000 1.071 84 L CA 1.526 56.553 54.840 0.312 0.000 0.749 84 L CB -0.635 41.523 42.059 0.166 0.000 0.890 84 L HN 0.274 nan 8.230 nan 0.000 0.431 85 A N 0.133 123.159 122.820 0.344 0.000 1.892 85 A HA -0.236 4.084 4.320 0.001 0.000 0.218 85 A C 2.197 179.989 177.584 0.346 0.000 1.188 85 A CA 1.823 54.076 52.037 0.360 0.000 0.631 85 A CB -0.680 18.551 19.000 0.386 0.000 0.822 85 A HN 0.301 nan 8.150 nan 0.000 0.447 86 I N -1.468 119.320 120.570 0.363 0.000 2.163 86 I HA -0.222 3.948 4.170 0.001 0.000 0.243 86 I C 2.329 178.665 176.117 0.366 0.000 1.085 86 I CA 1.405 62.907 61.300 0.336 0.000 1.347 86 I CB -1.511 36.736 38.000 0.411 0.000 1.044 86 I HN 0.481 nan 8.210 nan 0.000 0.408 87 F N 1.579 121.770 119.950 0.401 0.000 2.043 87 F HA -0.342 4.186 4.527 0.001 0.000 0.297 87 F C 2.920 178.826 175.800 0.176 0.000 1.121 87 F CA 2.478 60.708 58.000 0.383 0.000 1.199 87 F CB -0.711 38.520 39.000 0.384 0.000 0.968 87 F HN 0.219 nan 8.300 nan 0.000 0.478 88 H N 0.273 119.459 119.070 0.193 0.000 2.289 88 H HA -0.228 4.329 4.556 0.001 0.000 0.296 88 H C 2.157 177.448 175.328 -0.061 0.000 1.091 88 H CA 2.644 58.677 56.048 -0.025 0.000 1.274 88 H CB -0.785 29.018 29.762 0.068 0.000 1.364 88 H HN 0.405 nan 8.280 nan 0.000 0.490 89 L N -0.217 120.929 121.223 -0.128 0.000 2.189 89 L HA -0.207 4.134 4.340 0.001 0.000 0.214 89 L C 2.666 179.352 176.870 -0.306 0.000 1.097 89 L CA 1.055 55.756 54.840 -0.232 0.000 0.764 89 L CB -0.250 41.762 42.059 -0.078 0.000 0.900 89 L HN 0.318 nan 8.230 nan 0.000 0.436 90 R N -0.021 120.321 120.500 -0.263 0.000 2.062 90 R HA -0.114 4.226 4.340 0.001 0.000 0.229 90 R C 2.182 178.286 176.300 -0.328 0.000 1.128 90 R CA 1.141 57.047 56.100 -0.322 0.000 0.960 90 R CB -0.496 29.618 30.300 -0.310 0.000 0.855 90 R HN 0.349 nan 8.270 nan 0.000 0.432 91 K N 0.879 121.079 120.400 -0.333 0.000 2.057 91 K HA -0.142 4.178 4.320 0.001 0.000 0.207 91 K C 2.110 178.572 176.600 -0.230 0.000 1.049 91 K CA 1.256 57.392 56.287 -0.251 0.000 0.931 91 K CB -0.075 32.275 32.500 -0.251 0.000 0.714 91 K HN 0.024 nan 8.250 nan 0.000 0.440 92 K N -0.074 120.124 120.400 -0.336 0.000 2.209 92 K HA -0.119 4.201 4.320 0.001 0.000 0.204 92 K C 1.709 178.138 176.600 -0.285 0.000 1.048 92 K CA 1.190 57.287 56.287 -0.317 0.000 0.940 92 K CB 0.084 32.316 32.500 -0.447 0.000 0.729 92 K HN 0.146 nan 8.250 nan 0.000 0.451 93 A N -0.777 121.800 122.820 -0.406 0.000 1.973 93 A HA 0.042 4.363 4.320 0.001 0.000 0.210 93 A C 0.913 178.307 177.584 -0.318 0.000 1.200 93 A CA 0.456 52.207 52.037 -0.477 0.000 0.707 93 A CB 0.040 18.516 19.000 -0.873 0.000 0.862 93 A HN 0.300 nan 8.150 nan 0.000 0.461 94 Y N -1.607 118.654 120.300 -0.066 0.000 2.471 94 Y HA 0.404 4.955 4.550 0.001 0.000 0.249 94 Y C 1.820 177.689 175.900 -0.052 0.000 1.116 94 Y CA -0.404 57.667 58.100 -0.048 0.000 1.240 94 Y CB 0.112 38.518 38.460 -0.090 0.000 1.251 94 Y HN 0.401 nan 8.280 nan 0.000 0.527 95 G N 0.534 109.363 108.800 0.048 0.000 2.234 95 G HA2 -0.268 3.692 3.960 0.001 0.000 0.260 95 G HA3 -0.268 3.692 3.960 0.001 0.000 0.260 95 G C 0.251 175.158 174.900 0.012 0.000 0.987 95 G CA 0.748 45.861 45.100 0.022 0.000 0.625 95 G HN 0.467 nan 8.290 nan 0.000 0.532 96 Q N -2.085 117.729 119.800 0.024 0.000 2.991 96 Q HA 0.763 5.103 4.340 0.001 0.000 0.322 96 Q C 0.701 176.696 176.000 -0.009 0.000 0.978 96 Q CA -0.687 55.120 55.803 0.007 0.000 0.787 96 Q CB 0.478 29.231 28.738 0.024 0.000 1.492 96 Q HN 0.419 nan 8.270 nan 0.000 0.498 97 F N 0.185 120.027 119.950 -0.179 0.000 2.530 97 F HA 0.248 4.775 4.527 0.001 0.000 0.292 97 F C 0.398 176.126 175.800 -0.121 0.000 1.109 97 F CA 0.207 58.070 58.000 -0.228 0.000 1.450 97 F CB 0.786 39.617 39.000 -0.282 0.000 1.114 97 F HN 0.378 nan 8.300 nan 0.000 0.560 98 E N 3.852 124.029 120.200 -0.037 0.000 2.166 98 E HA 0.169 4.519 4.350 0.001 0.000 0.279 98 E C -2.337 174.063 176.600 -0.333 0.000 1.095 98 E CA -2.368 53.938 56.400 -0.157 0.000 0.888 98 E CB 0.329 30.024 29.700 -0.008 0.000 1.041 98 E HN 0.107 nan 8.360 nan 0.000 0.414 99 P HA 0.048 nan 4.420 nan 0.000 0.265 99 P C -2.298 174.706 177.300 -0.493 0.000 1.193 99 P CA -0.932 61.583 63.100 -0.974 0.000 0.765 99 P CB -0.311 30.593 31.700 -1.326 0.000 0.823 100 P HA -0.041 nan 4.420 nan 0.000 0.270 100 P C -0.259 177.046 177.300 0.008 0.000 1.216 100 P CA 0.081 63.084 63.100 -0.162 0.000 0.788 100 P CB 0.249 31.879 31.700 -0.117 0.000 0.883 101 A N 1.121 123.953 122.820 0.020 0.000 2.462 101 A HA 0.067 4.388 4.320 0.001 0.000 0.243 101 A C 1.429 179.019 177.584 0.011 0.000 1.076 101 A CA -0.417 51.660 52.037 0.066 0.000 0.773 101 A CB -0.486 18.552 19.000 0.064 0.000 1.010 101 A HN 0.628 nan 8.150 nan 0.000 0.493 102 L N 2.467 123.703 121.223 0.022 0.000 1.997 102 L HA -0.237 4.103 4.340 0.001 0.000 0.216 102 L C 2.044 178.784 176.870 -0.217 0.000 1.074 102 L CA 2.780 57.517 54.840 -0.171 0.000 0.763 102 L CB -1.170 40.889 42.059 0.001 0.000 0.890 102 L HN 0.879 nan 8.230 nan 0.000 0.434 103 Y N 0.601 120.785 120.300 -0.195 0.000 2.097 103 Y HA -0.295 4.256 4.550 0.001 0.000 0.282 103 Y C 2.390 178.131 175.900 -0.265 0.000 1.152 103 Y CA 2.239 60.160 58.100 -0.298 0.000 1.136 103 Y CB -0.521 37.888 38.460 -0.084 0.000 0.975 103 Y HN 0.378 nan 8.280 nan 0.000 0.498 104 D N -1.212 119.077 120.400 -0.186 0.000 2.104 104 D HA -0.251 4.389 4.640 0.001 0.000 0.194 104 D C 2.019 178.165 176.300 -0.257 0.000 0.994 104 D CA 2.016 55.886 54.000 -0.216 0.000 0.830 104 D CB -0.712 40.057 40.800 -0.052 0.000 0.959 104 D HN 0.538 nan 8.370 nan 0.000 0.452 105 H N 1.178 120.058 119.070 -0.316 0.000 2.267 105 H HA -0.107 4.449 4.556 0.001 0.000 0.297 105 H C 2.079 177.223 175.328 -0.307 0.000 1.080 105 H CA 1.875 57.741 56.048 -0.304 0.000 1.278 105 H CB -0.459 29.006 29.762 -0.495 0.000 1.365 105 H HN -0.105 nan 8.280 nan 0.000 0.489 106 V N -0.069 119.527 119.914 -0.529 0.000 2.287 106 V HA -0.273 3.847 4.120 0.001 0.000 0.248 106 V C 2.751 178.568 176.094 -0.463 0.000 1.053 106 V CA 1.647 63.667 62.300 -0.467 0.000 1.027 106 V CB -0.765 30.654 31.823 -0.673 0.000 0.646 106 V HN 0.362 nan 8.190 nan 0.000 0.447 107 V N 0.134 119.690 119.914 -0.596 0.000 2.287 107 V HA -0.349 3.771 4.120 0.001 0.000 0.248 107 V C 2.450 178.351 176.094 -0.321 0.000 1.053 107 V CA 2.592 64.607 62.300 -0.474 0.000 1.027 107 V CB -0.723 30.767 31.823 -0.555 0.000 0.646 107 V HN 0.629 nan 8.190 nan 0.000 0.447 108 K N -0.387 119.821 120.400 -0.320 0.000 2.063 108 K HA -0.198 4.122 4.320 0.001 0.000 0.208 108 K C 2.143 178.549 176.600 -0.323 0.000 1.048 108 K CA 1.780 57.911 56.287 -0.260 0.000 0.928 108 K CB -0.188 32.191 32.500 -0.201 0.000 0.713 108 K HN 0.246 nan 8.250 nan 0.000 0.442 109 M N 0.520 119.843 119.600 -0.461 0.000 2.229 109 M HA -0.100 4.380 4.480 0.001 0.000 0.264 109 M C 2.174 178.262 176.300 -0.353 0.000 1.063 109 M CA 1.029 55.978 55.300 -0.586 0.000 1.114 109 M CB -0.470 31.426 32.600 -1.173 0.000 1.387 109 M HN 0.052 nan 8.290 nan 0.000 0.420 110 V N 0.669 120.454 119.914 -0.214 0.000 2.307 110 V HA -0.235 3.885 4.120 0.001 0.000 0.245 110 V C 2.125 178.146 176.094 -0.121 0.000 1.045 110 V CA 1.747 63.985 62.300 -0.104 0.000 1.024 110 V CB -0.978 30.811 31.823 -0.056 0.000 0.651 110 V HN 0.474 nan 8.190 nan 0.000 0.449 111 E N 0.061 120.174 120.200 -0.145 0.000 2.160 111 E HA -0.202 4.149 4.350 0.001 0.000 0.195 111 E C 1.988 178.507 176.600 -0.135 0.000 0.991 111 E CA 1.356 57.684 56.400 -0.121 0.000 0.810 111 E CB -0.258 29.372 29.700 -0.116 0.000 0.742 111 E HN 0.545 nan 8.360 nan 0.000 0.466 112 M N -0.534 118.949 119.600 -0.195 0.000 2.561 112 M HA 0.124 4.604 4.480 0.001 0.000 0.238 112 M C 1.059 177.240 176.300 -0.198 0.000 1.131 112 M CA 0.552 55.720 55.300 -0.220 0.000 1.046 112 M CB 0.599 32.992 32.600 -0.345 0.000 1.532 112 M HN 0.282 nan 8.290 nan 0.000 0.497 113 G N 0.893 109.599 108.800 -0.155 0.000 2.153 113 G HA2 -0.249 3.711 3.960 0.001 0.000 0.252 113 G HA3 -0.249 3.711 3.960 0.001 0.000 0.252 113 G C 0.943 175.780 174.900 -0.106 0.000 0.994 113 G CA 0.306 45.345 45.100 -0.103 0.000 0.698 113 G HN 0.371 nan 8.290 nan 0.000 0.521 114 K N -1.271 119.014 120.400 -0.191 0.000 2.284 114 K HA 0.182 4.502 4.320 0.001 0.000 0.198 114 K C 0.359 176.962 176.600 0.006 0.000 1.048 114 K CA 0.630 56.812 56.287 -0.176 0.000 0.987 114 K CB 0.360 32.613 32.500 -0.412 0.000 0.800 114 K HN 0.429 nan 8.250 nan 0.000 0.486 115 Y N 1.222 121.472 120.300 -0.083 0.000 2.446 115 Y HA 0.202 4.752 4.550 0.001 0.000 0.338 115 Y C 0.365 176.251 175.900 -0.023 0.000 1.055 115 Y CA -2.520 55.554 58.100 -0.042 0.000 1.101 115 Y CB 0.717 39.125 38.460 -0.087 0.000 1.221 115 Y HN -0.051 nan 8.280 nan 0.000 0.460 116 D N 1.201 121.704 120.400 0.172 0.000 2.455 116 D HA -0.070 4.571 4.640 0.001 0.000 0.241 116 D C 0.663 177.031 176.300 0.113 0.000 1.138 116 D CA 0.313 54.364 54.000 0.086 0.000 0.877 116 D CB 0.693 41.531 40.800 0.065 0.000 1.187 116 D HN 0.801 nan 8.370 nan 0.000 0.451 117 N N 2.469 121.227 118.700 0.098 0.000 2.309 117 N HA -0.166 4.574 4.740 0.001 0.000 0.182 117 N C 1.377 177.042 175.510 0.259 0.000 1.018 117 N CA 0.915 54.056 53.050 0.151 0.000 0.876 117 N CB -0.332 38.234 38.487 0.132 0.000 0.972 117 N HN 0.552 nan 8.380 nan 0.000 0.434 118 H N 0.145 119.274 119.070 0.097 0.000 2.489 118 H HA -0.013 4.544 4.556 0.001 0.000 0.295 118 H C 1.768 177.204 175.328 0.179 0.000 1.082 118 H CA 0.583 56.698 56.048 0.113 0.000 1.295 118 H CB 0.044 29.862 29.762 0.094 0.000 1.380 118 H HN 0.231 nan 8.280 nan 0.000 0.548 119 L N 0.385 121.811 121.223 0.338 0.000 2.042 119 L HA -0.224 4.117 4.340 0.001 0.000 0.210 119 L C 2.204 179.400 176.870 0.544 0.000 1.076 119 L CA 1.055 56.148 54.840 0.422 0.000 0.749 119 L CB -0.181 42.066 42.059 0.313 0.000 0.893 119 L HN 0.302 nan 8.230 nan 0.000 0.432 120 L N -1.161 120.289 121.223 0.379 0.000 2.313 120 L HA -0.118 4.222 4.340 0.001 0.000 0.214 120 L C 2.330 179.374 176.870 0.291 0.000 1.119 120 L CA 0.667 55.745 54.840 0.397 0.000 0.809 120 L CB -0.229 41.958 42.059 0.214 0.000 0.933 120 L HN 0.251 nan 8.230 nan 0.000 0.449 121 E N 0.021 120.337 120.200 0.193 0.000 2.046 121 E HA -0.179 4.172 4.350 0.001 0.000 0.190 121 E C 1.534 178.156 176.600 0.037 0.000 0.982 121 E CA 1.122 57.571 56.400 0.082 0.000 0.800 121 E CB 0.108 29.800 29.700 -0.012 0.000 0.756 121 E HN 0.405 nan 8.360 nan 0.000 0.449 122 D N -0.660 119.762 120.400 0.038 0.000 2.183 122 D HA -0.067 4.573 4.640 0.001 0.000 0.203 122 D C -0.099 175.990 176.300 -0.352 0.000 0.969 122 D CA 1.147 55.058 54.000 -0.149 0.000 0.842 122 D CB 0.112 40.819 40.800 -0.155 0.000 0.957 122 D HN 0.119 nan 8.370 nan 0.000 0.484 123 Y N -0.307 119.973 120.300 -0.034 0.000 2.485 123 Y HA 0.286 4.836 4.550 0.001 0.000 0.345 123 Y C 0.886 176.718 175.900 -0.114 0.000 0.998 123 Y CA -1.103 56.851 58.100 -0.243 0.000 1.059 123 Y CB 1.592 39.571 38.460 -0.802 0.000 1.234 123 Y HN -0.298 nan 8.280 nan 0.000 0.461 124 T N -2.570 111.997 114.554 0.022 0.000 2.847 124 T HA 0.158 4.509 4.350 0.001 0.000 0.279 124 T C 1.038 175.803 174.700 0.108 0.000 0.984 124 T CA -0.544 61.597 62.100 0.069 0.000 0.988 124 T CB 1.345 70.213 68.868 -0.000 0.000 1.040 124 T HN 0.868 nan 8.240 nan 0.000 0.528 125 E N -0.095 120.105 120.200 0.001 0.000 2.153 125 E HA -0.221 4.130 4.350 0.001 0.000 0.194 125 E C 1.757 178.266 176.600 -0.153 0.000 0.988 125 E CA 1.117 57.333 56.400 -0.308 0.000 0.811 125 E CB -0.065 29.107 29.700 -0.880 0.000 0.746 125 E HN 0.707 nan 8.360 nan 0.000 0.466 126 E N 1.054 121.189 120.200 -0.109 0.000 2.110 126 E HA -0.175 4.176 4.350 0.001 0.000 0.193 126 E C 1.722 178.276 176.600 -0.076 0.000 0.988 126 E CA 1.279 57.629 56.400 -0.084 0.000 0.804 126 E CB -0.025 29.634 29.700 -0.068 0.000 0.745 126 E HN 0.370 nan 8.360 nan 0.000 0.458 127 E N -1.156 118.996 120.200 -0.079 0.000 2.106 127 E HA -0.155 4.196 4.350 0.001 0.000 0.192 127 E C 1.814 178.282 176.600 -0.220 0.000 0.984 127 E CA 0.834 57.157 56.400 -0.128 0.000 0.806 127 E CB -0.184 29.477 29.700 -0.066 0.000 0.750 127 E HN 0.275 nan 8.360 nan 0.000 0.458 128 F N 1.439 121.371 119.950 -0.030 0.000 2.146 128 F HA -0.094 4.433 4.527 0.001 0.000 0.298 128 F C 2.217 177.959 175.800 -0.096 0.000 1.096 128 F CA 0.965 58.937 58.000 -0.046 0.000 1.275 128 F CB -0.197 38.882 39.000 0.132 0.000 1.008 128 F HN -0.154 nan 8.300 nan 0.000 0.480 129 K N -0.079 120.364 120.400 0.071 0.000 2.074 129 K HA -0.282 4.039 4.320 0.001 0.000 0.209 129 K C 2.118 178.648 176.600 -0.117 0.000 1.048 129 K CA 1.774 58.050 56.287 -0.018 0.000 0.926 129 K CB -0.378 32.093 32.500 -0.048 0.000 0.713 129 K HN 0.390 nan 8.250 nan 0.000 0.444 130 Q N 0.253 119.932 119.800 -0.202 0.000 2.083 130 Q HA -0.033 4.308 4.340 0.001 0.000 0.198 130 Q C 2.187 177.718 176.000 -0.782 0.000 0.969 130 Q CA 0.904 56.481 55.803 -0.377 0.000 0.838 130 Q CB 0.143 28.692 28.738 -0.315 0.000 0.900 130 Q HN 0.300 nan 8.270 nan 0.000 0.436 131 M N 0.425 119.608 119.600 -0.696 0.000 2.108 131 M HA -0.204 4.276 4.480 0.001 0.000 0.261 131 M C 1.700 177.718 176.300 -0.470 0.000 1.066 131 M CA 1.303 56.142 55.300 -0.768 0.000 1.107 131 M CB -0.461 31.960 32.600 -0.298 0.000 1.356 131 M HN 0.159 nan 8.290 nan 0.000 0.406 132 D N 0.432 120.697 120.400 -0.225 0.000 2.190 132 D HA -0.157 4.483 4.640 0.001 0.000 0.200 132 D C 1.949 178.176 176.300 -0.121 0.000 0.992 132 D CA 2.001 55.949 54.000 -0.086 0.000 0.854 132 D CB -0.093 40.710 40.800 0.005 0.000 0.936 132 D HN 0.454 nan 8.370 nan 0.000 0.462 133 T N -2.434 111.995 114.554 -0.208 0.000 3.035 133 T HA -0.089 4.262 4.350 0.001 0.000 0.268 133 T C 1.786 176.490 174.700 0.006 0.000 1.109 133 T CA 0.443 62.476 62.100 -0.112 0.000 1.119 133 T CB -0.430 68.362 68.868 -0.127 0.000 0.900 133 T HN -0.057 nan 8.240 nan 0.000 0.503 134 F N 1.522 121.399 119.950 -0.122 0.000 2.270 134 F HA 0.459 4.986 4.527 0.001 0.000 0.295 134 F C 1.388 177.049 175.800 -0.232 0.000 1.087 134 F CA -1.716 56.187 58.000 -0.162 0.000 1.365 134 F CB -0.770 38.080 39.000 -0.250 0.000 1.056 134 F HN 0.169 nan 8.300 nan 0.000 0.506 135 I N 1.708 122.175 120.570 -0.172 0.000 2.815 135 I HA -0.094 4.077 4.170 0.001 0.000 0.291 135 I C -0.095 175.958 176.117 -0.107 0.000 1.209 135 I CA 0.612 61.732 61.300 -0.301 0.000 1.431 135 I CB 0.130 37.933 38.000 -0.328 0.000 1.351 135 I HN -0.005 nan 8.210 nan 0.000 0.585 136 D N 5.280 125.673 120.400 -0.011 0.000 2.389 136 D HA 0.172 4.813 4.640 0.001 0.000 0.256 136 D C 0.748 177.038 176.300 -0.016 0.000 1.239 136 D CA -0.395 53.609 54.000 0.007 0.000 0.925 136 D CB 0.595 41.437 40.800 0.070 0.000 1.145 136 D HN 0.380 nan 8.370 nan 0.000 0.542 137 H N 1.862 120.970 119.070 0.063 0.000 2.521 137 H HA -0.044 4.512 4.556 0.001 0.000 0.286 137 H C 0.472 175.850 175.328 0.084 0.000 1.034 137 H CA 0.725 56.788 56.048 0.026 0.000 1.278 137 H CB 0.480 30.194 29.762 -0.079 0.000 1.386 137 H HN 0.479 nan 8.280 nan 0.000 0.567 138 D N 0.650 121.177 120.400 0.212 0.000 2.264 138 D HA -0.094 4.546 4.640 0.001 0.000 0.208 138 D C 2.059 178.434 176.300 0.126 0.000 0.966 138 D CA 0.370 54.492 54.000 0.203 0.000 0.864 138 D CB -0.025 40.879 40.800 0.173 0.000 0.933 138 D HN 0.425 nan 8.370 nan 0.000 0.499 139 R N 0.781 121.316 120.500 0.058 0.000 2.193 139 R HA -0.102 4.239 4.340 0.001 0.000 0.229 139 R C 1.099 177.379 176.300 -0.033 0.000 1.110 139 R CA 0.715 56.782 56.100 -0.055 0.000 0.988 139 R CB -0.299 29.895 30.300 -0.176 0.000 0.871 139 R HN 0.181 nan 8.270 nan 0.000 0.458 140 D N 1.154 121.646 120.400 0.154 0.000 2.190 140 D HA -0.164 4.476 4.640 0.001 0.000 0.200 140 D C 1.458 177.962 176.300 0.341 0.000 0.992 140 D CA 1.246 55.448 54.000 0.336 0.000 0.854 140 D CB -0.094 40.929 40.800 0.370 0.000 0.936 140 D HN 0.083 nan 8.370 nan 0.000 0.462 141 M N -0.042 119.700 119.600 0.238 0.000 2.686 141 M HA -0.046 4.435 4.480 0.001 0.000 0.246 141 M C 1.607 177.970 176.300 0.105 0.000 1.096 141 M CA 0.745 56.161 55.300 0.194 0.000 1.076 141 M CB -0.173 32.510 32.600 0.139 0.000 1.504 141 M HN 0.037 nan 8.290 nan 0.000 0.524 142 T N -3.192 111.385 114.554 0.038 0.000 3.060 142 T HA 0.177 4.528 4.350 0.001 0.000 0.249 142 T C 0.393 175.200 174.700 0.178 0.000 1.079 142 T CA -0.331 61.772 62.100 0.005 0.000 1.013 142 T CB -0.255 68.606 68.868 -0.011 0.000 0.975 142 T HN -0.007 nan 8.240 nan 0.000 0.518 143 F N 3.886 124.042 119.950 0.344 0.000 2.459 143 F HA 0.461 4.988 4.527 0.001 0.000 0.346 143 F C 1.334 177.340 175.800 0.344 0.000 1.128 143 F CA -0.970 57.201 58.000 0.285 0.000 1.268 143 F CB 0.691 39.826 39.000 0.225 0.000 1.161 143 F HN 0.186 nan 8.300 nan 0.000 0.583 144 S N 2.261 118.201 115.700 0.401 0.000 2.672 144 S HA 0.186 4.656 4.470 0.001 0.000 0.276 144 S C 0.773 175.426 174.600 0.089 0.000 1.207 144 S CA -0.668 57.568 58.200 0.059 0.000 1.002 144 S CB 0.640 63.756 63.200 -0.140 0.000 0.998 144 S HN 0.624 nan 8.310 nan 0.000 0.542 145 Y N 1.982 122.230 120.300 -0.087 0.000 2.069 145 Y HA -0.258 4.293 4.550 0.001 0.000 0.278 145 Y C 2.613 178.487 175.900 -0.042 0.000 1.175 145 Y CA 2.141 60.221 58.100 -0.033 0.000 1.134 145 Y CB -1.228 37.205 38.460 -0.045 0.000 0.965 145 Y HN 0.865 nan 8.280 nan 0.000 0.498 146 A N 0.207 122.942 122.820 -0.142 0.000 1.917 146 A HA -0.208 4.112 4.320 0.001 0.000 0.219 146 A C 2.500 179.945 177.584 -0.233 0.000 1.182 146 A CA 2.496 54.404 52.037 -0.215 0.000 0.633 146 A CB -1.596 17.341 19.000 -0.104 0.000 0.819 146 A HN 0.644 nan 8.150 nan 0.000 0.448 147 A N -0.545 122.179 122.820 -0.161 0.000 1.865 147 A HA -0.046 4.274 4.320 0.001 0.000 0.217 147 A C 2.239 179.622 177.584 -0.336 0.000 1.191 147 A CA 1.999 53.915 52.037 -0.201 0.000 0.623 147 A CB -1.156 17.821 19.000 -0.038 0.000 0.826 147 A HN 0.520 nan 8.150 nan 0.000 0.444 148 V N 0.063 119.814 119.914 -0.271 0.000 2.332 148 V HA -0.297 3.823 4.120 0.001 0.000 0.248 148 V C 2.523 178.436 176.094 -0.302 0.000 1.055 148 V CA 2.510 64.633 62.300 -0.295 0.000 1.038 148 V CB -0.778 30.989 31.823 -0.094 0.000 0.651 148 V HN 0.502 nan 8.190 nan 0.000 0.450 149 K N -0.109 120.058 120.400 -0.389 0.000 2.074 149 K HA -0.193 4.127 4.320 0.001 0.000 0.209 149 K C 2.325 178.781 176.600 -0.240 0.000 1.048 149 K CA 1.523 57.606 56.287 -0.339 0.000 0.926 149 K CB -0.370 31.853 32.500 -0.462 0.000 0.713 149 K HN 0.452 nan 8.250 nan 0.000 0.444 150 Q N 0.029 119.672 119.800 -0.262 0.000 2.046 150 Q HA -0.098 4.242 4.340 0.001 0.000 0.200 150 Q C 2.261 178.097 176.000 -0.273 0.000 0.975 150 Q CA 1.283 56.939 55.803 -0.245 0.000 0.836 150 Q CB -0.330 28.224 28.738 -0.308 0.000 0.896 150 Q HN 0.341 nan 8.270 nan 0.000 0.428 151 L N 0.762 121.757 121.223 -0.380 0.000 1.990 151 L HA -0.240 4.101 4.340 0.001 0.000 0.213 151 L C 2.585 179.385 176.870 -0.117 0.000 1.072 151 L CA 1.691 56.348 54.840 -0.304 0.000 0.755 151 L CB -0.604 41.217 42.059 -0.398 0.000 0.889 151 L HN 0.338 nan 8.230 nan 0.000 0.432 152 E N 0.083 120.200 120.200 -0.139 0.000 2.110 152 E HA -0.188 4.163 4.350 0.001 0.000 0.193 152 E C 2.116 178.686 176.600 -0.049 0.000 0.988 152 E CA 1.201 57.551 56.400 -0.082 0.000 0.804 152 E CB -0.089 29.561 29.700 -0.083 0.000 0.745 152 E HN 0.503 nan 8.360 nan 0.000 0.458 153 G N 1.235 109.999 108.800 -0.060 0.000 2.394 153 G HA2 -0.232 3.729 3.960 0.001 0.000 0.215 153 G HA3 -0.232 3.729 3.960 0.001 0.000 0.215 153 G C 1.192 176.105 174.900 0.022 0.000 1.165 153 G CA 1.134 46.218 45.100 -0.026 0.000 0.784 153 G HN 0.345 nan 8.290 nan 0.000 0.535 154 K N -2.656 117.784 120.400 0.067 0.000 3.147 154 K HA 0.427 4.747 4.320 0.001 0.000 0.190 154 K C -0.391 176.391 176.600 0.303 0.000 1.094 154 K CA -0.457 55.919 56.287 0.148 0.000 1.024 154 K CB 0.069 32.656 32.500 0.144 0.000 0.700 154 K HN 0.173 nan 8.250 nan 0.000 0.424 155 Y N 0.532 120.827 120.300 -0.007 0.000 2.965 155 Y HA 0.359 4.909 4.550 0.001 0.000 0.242 155 Y C 0.317 176.228 175.900 0.019 0.000 1.078 155 Y CA -0.480 57.621 58.100 0.003 0.000 1.288 155 Y CB 0.561 39.000 38.460 -0.034 0.000 1.459 155 Y HN -0.046 nan 8.280 nan 0.000 0.438 156 L N 1.443 122.769 121.223 0.171 0.000 2.485 156 L HA 0.108 4.448 4.340 0.001 0.000 0.275 156 L C -0.008 176.936 176.870 0.124 0.000 1.207 156 L CA -0.303 54.610 54.840 0.122 0.000 0.855 156 L CB 0.243 42.333 42.059 0.052 0.000 1.114 156 L HN -0.223 nan 8.230 nan 0.000 0.485 157 V N 3.635 123.659 119.914 0.184 0.000 2.485 157 V HA 0.049 4.170 4.120 0.001 0.000 0.287 157 V C 0.348 176.545 176.094 0.171 0.000 1.022 157 V CA 0.159 62.585 62.300 0.210 0.000 1.067 157 V CB 0.322 32.317 31.823 0.286 0.000 0.967 157 V HN 0.915 nan 8.190 nan 0.000 0.479 158 Q N 3.857 123.723 119.800 0.110 0.000 2.626 158 Q HA 0.475 4.815 4.340 0.001 0.000 0.300 158 Q C -0.784 175.211 176.000 -0.009 0.000 0.988 158 Q CA -1.016 54.726 55.803 -0.102 0.000 0.761 158 Q CB 1.735 30.393 28.738 -0.133 0.000 1.494 158 Q HN 0.519 nan 8.270 nan 0.000 0.439 159 N N 0.372 118.972 118.700 -0.167 0.000 2.426 159 N HA 0.186 4.926 4.740 0.001 0.000 0.257 159 N C -0.227 175.270 175.510 -0.022 0.000 1.002 159 N CA -0.050 53.007 53.050 0.012 0.000 0.942 159 N CB 0.972 39.481 38.487 0.035 0.000 1.112 159 N HN 0.600 nan 8.380 nan 0.000 0.499 160 R N 2.171 122.679 120.500 0.012 0.000 2.299 160 R HA 0.055 4.395 4.340 0.001 0.000 0.197 160 R C 1.304 177.605 176.300 0.001 0.000 0.971 160 R CA 0.373 56.474 56.100 0.002 0.000 1.030 160 R CB 0.418 30.726 30.300 0.013 0.000 0.932 160 R HN 0.436 nan 8.270 nan 0.000 0.477 161 V N -0.667 119.250 119.914 0.006 0.000 2.365 161 V HA -0.167 3.954 4.120 0.001 0.000 0.232 161 V C 2.417 178.509 176.094 -0.003 0.000 1.065 161 V CA 1.958 64.261 62.300 0.005 0.000 1.054 161 V CB -1.024 30.806 31.823 0.012 0.000 0.685 161 V HN 0.383 nan 8.190 nan 0.000 0.480 162 T N -0.968 113.584 114.554 -0.004 0.000 2.778 162 T HA -0.055 4.296 4.350 0.001 0.000 0.269 162 T C 1.710 176.387 174.700 -0.037 0.000 1.050 162 T CA 2.275 64.366 62.100 -0.015 0.000 1.137 162 T CB -0.574 68.288 68.868 -0.010 0.000 0.860 162 T HN 1.508 nan 8.240 nan 0.000 0.468 163 G N 0.933 109.697 108.800 -0.060 0.000 2.195 163 G HA2 -0.230 3.730 3.960 0.001 0.000 0.246 163 G HA3 -0.230 3.730 3.960 0.001 0.000 0.246 163 G C -0.173 174.639 174.900 -0.147 0.000 0.984 163 G CA 0.092 45.146 45.100 -0.077 0.000 0.633 163 G HN 0.718 nan 8.290 nan 0.000 0.525 164 E N -0.079 119.991 120.200 -0.216 0.000 2.452 164 E HA 0.365 4.715 4.350 0.001 0.000 0.261 164 E C -0.072 176.188 176.600 -0.567 0.000 0.987 164 E CA 0.037 56.222 56.400 -0.359 0.000 0.926 164 E CB 0.808 30.258 29.700 -0.415 0.000 0.934 164 E HN 0.285 nan 8.360 nan 0.000 0.452 165 I N 3.211 123.505 120.570 -0.459 0.000 2.336 165 I HA 0.037 4.207 4.170 0.001 0.000 0.292 165 I C -0.176 175.702 176.117 -0.399 0.000 0.991 165 I CA -0.030 61.029 61.300 -0.401 0.000 1.227 165 I CB 0.675 38.529 38.000 -0.243 0.000 1.366 165 I HN 0.529 nan 8.210 nan 0.000 0.466 166 Y N 4.103 124.367 120.300 -0.060 0.000 2.449 166 Y HA 0.235 4.786 4.550 0.001 0.000 0.254 166 Y C 0.869 176.808 175.900 0.065 0.000 1.140 166 Y CA -0.307 57.773 58.100 -0.032 0.000 1.272 166 Y CB -0.031 38.403 38.460 -0.043 0.000 1.114 166 Y HN 0.577 nan 8.280 nan 0.000 0.525 167 E N -0.845 119.448 120.200 0.155 0.000 2.460 167 E HA 0.560 4.910 4.350 0.001 0.000 0.277 167 E C -1.106 175.545 176.600 0.085 0.000 1.010 167 E CA -0.972 55.596 56.400 0.281 0.000 0.838 167 E CB 1.939 31.945 29.700 0.510 0.000 1.448 167 E HN -0.107 nan 8.360 nan 0.000 0.462 168 S N -0.295 115.504 115.700 0.165 0.000 2.566 168 S HA 0.612 5.082 4.470 0.001 0.000 0.298 168 S C 0.914 175.570 174.600 0.093 0.000 1.083 168 S CA -0.055 58.169 58.200 0.039 0.000 0.978 168 S CB 1.478 64.665 63.200 -0.021 0.000 1.073 168 S HN 0.860 nan 8.310 nan 0.000 0.491 169 A N 2.228 125.111 122.820 0.105 0.000 1.927 169 A HA -0.173 4.148 4.320 0.001 0.000 0.220 169 A C 2.122 179.800 177.584 0.155 0.000 1.185 169 A CA 1.949 54.049 52.037 0.105 0.000 0.639 169 A CB -1.032 18.165 19.000 0.328 0.000 0.820 169 A HN 0.815 nan 8.150 nan 0.000 0.451 170 Q N -1.204 118.752 119.800 0.260 0.000 2.124 170 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 170 Q C 1.811 178.046 176.000 0.391 0.000 0.977 170 Q CA 1.155 57.169 55.803 0.351 0.000 0.850 170 Q CB -0.614 28.201 28.738 0.127 0.000 0.901 170 Q HN 0.717 nan 8.270 nan 0.000 0.429 171 F N 0.522 120.647 119.950 0.292 0.000 2.186 171 F HA -0.078 4.450 4.527 0.001 0.000 0.299 171 F C 2.219 178.160 175.800 0.235 0.000 1.090 171 F CA 0.134 58.286 58.000 0.254 0.000 1.307 171 F CB -1.170 37.986 39.000 0.259 0.000 1.019 171 F HN 0.067 nan 8.300 nan 0.000 0.489 172 L N -0.892 120.543 121.223 0.353 0.000 1.955 172 L HA -0.307 4.034 4.340 0.001 0.000 0.213 172 L C 2.511 179.523 176.870 0.237 0.000 1.072 172 L CA 1.753 56.707 54.840 0.190 0.000 0.755 172 L CB -0.795 41.277 42.059 0.021 0.000 0.888 172 L HN 0.001 nan 8.230 nan 0.000 0.432 173 Y N -0.180 120.328 120.300 0.347 0.000 2.040 173 Y HA -0.343 4.207 4.550 0.001 0.000 0.275 173 Y C 2.467 178.637 175.900 0.450 0.000 1.171 173 Y CA 1.821 60.140 58.100 0.365 0.000 1.123 173 Y CB -1.023 37.619 38.460 0.303 0.000 0.963 173 Y HN 0.244 nan 8.280 nan 0.000 0.493 174 I N -0.020 120.944 120.570 0.657 0.000 2.151 174 I HA -0.295 3.875 4.170 0.001 0.000 0.243 174 I C 2.119 178.383 176.117 0.245 0.000 1.080 174 I CA 1.521 63.044 61.300 0.373 0.000 1.339 174 I CB -0.829 37.252 38.000 0.135 0.000 1.039 174 I HN 0.174 nan 8.210 nan 0.000 0.409 175 L N -1.329 120.014 121.223 0.200 0.000 2.217 175 L HA -0.125 4.215 4.340 0.001 0.000 0.211 175 L C 2.405 179.305 176.870 0.050 0.000 1.107 175 L CA 0.454 55.329 54.840 0.059 0.000 0.783 175 L CB -0.662 41.344 42.059 -0.088 0.000 0.919 175 L HN 0.052 nan 8.230 nan 0.000 0.442 176 V N 0.344 120.332 119.914 0.124 0.000 2.343 176 V HA -0.292 3.828 4.120 0.001 0.000 0.247 176 V C 2.845 178.959 176.094 0.033 0.000 1.051 176 V CA 1.775 64.110 62.300 0.058 0.000 1.036 176 V CB -1.046 30.872 31.823 0.159 0.000 0.654 176 V HN 0.467 nan 8.190 nan 0.000 0.451 177 A N 0.489 123.435 122.820 0.210 0.000 1.859 177 A HA -0.237 4.083 4.320 0.001 0.000 0.217 177 A C 2.498 180.162 177.584 0.132 0.000 1.198 177 A CA 2.783 54.941 52.037 0.203 0.000 0.629 177 A CB -1.196 18.035 19.000 0.385 0.000 0.830 177 A HN 0.618 nan 8.150 nan 0.000 0.446 178 A N -1.048 121.823 122.820 0.084 0.000 1.892 178 A HA -0.258 4.062 4.320 0.001 0.000 0.218 178 A C 2.380 180.050 177.584 0.144 0.000 1.188 178 A CA 2.044 54.103 52.037 0.036 0.000 0.631 178 A CB -1.478 17.376 19.000 -0.243 0.000 0.822 178 A HN 0.674 nan 8.150 nan 0.000 0.447 179 C N -0.835 118.473 119.300 0.012 0.000 2.432 179 C HA -0.047 4.413 4.460 0.001 0.000 0.277 179 C C 2.618 177.437 174.990 -0.286 0.000 1.249 179 C CA 0.942 59.915 59.018 -0.075 0.000 1.725 179 C CB -1.464 26.135 27.740 -0.235 0.000 2.028 179 C HN 0.619 nan 8.230 nan 0.000 0.477 180 L N -0.822 120.137 121.223 -0.440 0.000 2.131 180 L HA -0.119 4.222 4.340 0.001 0.000 0.210 180 L C 1.501 177.945 176.870 -0.710 0.000 1.092 180 L CA 1.756 56.193 54.840 -0.671 0.000 0.759 180 L CB -0.493 41.077 42.059 -0.816 0.000 0.903 180 L HN 0.332 nan 8.230 nan 0.000 0.435 181 F N -1.032 118.775 119.950 -0.237 0.000 2.647 181 F HA 0.055 4.583 4.527 0.001 0.000 0.300 181 F C 2.259 178.095 175.800 0.060 0.000 1.106 181 F CA 0.166 58.035 58.000 -0.218 0.000 1.313 181 F CB -0.176 38.589 39.000 -0.393 0.000 1.007 181 F HN 0.009 nan 8.300 nan 0.000 0.536 182 S N -0.035 115.785 115.700 0.201 0.000 2.399 182 S HA -0.208 4.262 4.470 0.001 0.000 0.231 182 S C 1.650 176.303 174.600 0.088 0.000 1.022 182 S CA 1.538 59.834 58.200 0.160 0.000 0.983 182 S CB -0.332 62.972 63.200 0.174 0.000 0.803 182 S HN 0.302 nan 8.310 nan 0.000 0.480 183 N N 0.545 119.336 118.700 0.151 0.000 2.449 183 N HA 0.217 4.957 4.740 0.001 0.000 0.191 183 N C -0.763 174.815 175.510 0.114 0.000 1.161 183 N CA 0.076 53.184 53.050 0.097 0.000 0.863 183 N CB -0.403 38.117 38.487 0.056 0.000 0.980 183 N HN 0.484 nan 8.380 nan 0.000 0.458 184 Y N 1.627 121.949 120.300 0.036 0.000 2.336 184 Y HA 0.173 4.723 4.550 0.001 0.000 0.331 184 Y C -1.558 174.367 175.900 0.042 0.000 1.211 184 Y CA -2.206 55.934 58.100 0.067 0.000 1.346 184 Y CB 0.105 38.664 38.460 0.166 0.000 1.271 184 Y HN 0.041 nan 8.280 nan 0.000 0.538 185 P HA -0.037 nan 4.420 nan 0.000 0.264 185 P C 0.194 177.552 177.300 0.097 0.000 1.183 185 P CA 0.026 63.158 63.100 0.054 0.000 0.763 185 P CB 0.753 32.470 31.700 0.029 0.000 0.807 186 R N 2.799 123.328 120.500 0.048 0.000 2.133 186 R HA -0.201 4.140 4.340 0.001 0.000 0.247 186 R C 1.874 178.213 176.300 0.064 0.000 1.151 186 R CA 1.406 57.534 56.100 0.046 0.000 0.971 186 R CB -0.993 29.315 30.300 0.012 0.000 0.866 186 R HN 0.611 nan 8.270 nan 0.000 0.447 187 E N 0.176 120.409 120.200 0.056 0.000 2.086 187 E HA -0.195 4.155 4.350 0.001 0.000 0.200 187 E C 1.185 177.826 176.600 0.069 0.000 1.012 187 E CA 2.408 58.838 56.400 0.050 0.000 0.812 187 E CB 0.188 29.912 29.700 0.039 0.000 0.743 187 E HN 0.571 nan 8.360 nan 0.000 0.453 188 T N -2.958 111.677 114.554 0.135 0.000 2.955 188 T HA 0.157 4.508 4.350 0.001 0.000 0.251 188 T C 1.581 176.423 174.700 0.236 0.000 1.002 188 T CA 0.091 62.286 62.100 0.157 0.000 0.970 188 T CB 0.089 69.123 68.868 0.276 0.000 1.091 188 T HN 0.020 nan 8.240 nan 0.000 0.495 189 R N 1.421 122.103 120.500 0.304 0.000 2.206 189 R HA -0.122 4.218 4.340 0.001 0.000 0.240 189 R C 2.124 178.531 176.300 0.179 0.000 1.117 189 R CA 2.152 58.423 56.100 0.284 0.000 0.915 189 R CB -0.915 29.536 30.300 0.252 0.000 0.888 189 R HN 0.390 nan 8.270 nan 0.000 0.432 190 L N 0.287 121.613 121.223 0.170 0.000 2.201 190 L HA -0.185 4.156 4.340 0.001 0.000 0.212 190 L C 2.838 179.749 176.870 0.069 0.000 1.105 190 L CA 1.526 56.484 54.840 0.198 0.000 0.775 190 L CB -0.613 41.596 42.059 0.250 0.000 0.913 190 L HN 0.555 nan 8.230 nan 0.000 0.440 191 Q N -0.118 119.652 119.800 -0.049 0.000 2.020 191 Q HA -0.257 4.083 4.340 0.001 0.000 0.202 191 Q C 2.291 178.078 176.000 -0.355 0.000 0.982 191 Q CA 1.979 57.645 55.803 -0.229 0.000 0.838 191 Q CB -0.281 28.300 28.738 -0.261 0.000 0.899 191 Q HN 0.357 nan 8.270 nan 0.000 0.423 192 Y N 0.321 120.414 120.300 -0.345 0.000 2.081 192 Y HA -0.288 4.262 4.550 0.001 0.000 0.280 192 Y C 2.475 177.975 175.900 -0.667 0.000 1.163 192 Y CA 1.444 59.136 58.100 -0.680 0.000 1.135 192 Y CB -0.803 36.944 38.460 -1.189 0.000 0.970 192 Y HN -0.008 nan 8.280 nan 0.000 0.498 193 V N 0.354 120.119 119.914 -0.248 0.000 2.231 193 V HA -0.394 3.726 4.120 0.001 0.000 0.248 193 V C 2.449 178.500 176.094 -0.072 0.000 1.054 193 V CA 2.430 64.693 62.300 -0.062 0.000 1.015 193 V CB -0.726 31.169 31.823 0.120 0.000 0.638 193 V HN 0.371 nan 8.190 nan 0.000 0.444 194 K N -0.215 119.970 120.400 -0.359 0.000 2.020 194 K HA -0.248 4.072 4.320 0.001 0.000 0.212 194 K C 2.401 178.826 176.600 -0.290 0.000 1.050 194 K CA 1.894 57.763 56.287 -0.696 0.000 0.929 194 K CB -0.217 31.315 32.500 -1.615 0.000 0.714 194 K HN 0.369 nan 8.250 nan 0.000 0.443 195 R N -0.425 119.907 120.500 -0.280 0.000 2.094 195 R HA -0.191 4.149 4.340 0.001 0.000 0.239 195 R C 2.402 178.655 176.300 -0.079 0.000 1.137 195 R CA 1.914 57.901 56.100 -0.187 0.000 0.943 195 R CB -0.740 29.434 30.300 -0.210 0.000 0.850 195 R HN 0.269 nan 8.270 nan 0.000 0.433 196 F N 0.862 120.717 119.950 -0.159 0.000 2.075 196 F HA -0.297 4.230 4.527 0.001 0.000 0.297 196 F C 2.454 178.221 175.800 -0.054 0.000 1.113 196 F CA 1.620 59.585 58.000 -0.058 0.000 1.218 196 F CB -0.720 38.306 39.000 0.045 0.000 0.984 196 F HN 0.002 nan 8.300 nan 0.000 0.472 197 Y N 1.525 121.899 120.300 0.124 0.000 2.002 197 Y HA -0.383 4.168 4.550 0.001 0.000 0.268 197 Y C 2.337 178.130 175.900 -0.179 0.000 1.177 197 Y CA 2.288 60.406 58.100 0.030 0.000 1.111 197 Y CB -1.112 37.384 38.460 0.060 0.000 0.952 197 Y HN 0.123 nan 8.280 nan 0.000 0.491 198 D N 0.344 120.547 120.400 -0.328 0.000 2.137 198 D HA -0.311 4.329 4.640 0.001 0.000 0.189 198 D C 2.378 178.364 176.300 -0.523 0.000 0.998 198 D CA 2.052 55.786 54.000 -0.443 0.000 0.839 198 D CB -1.050 39.614 40.800 -0.227 0.000 0.962 198 D HN 0.534 nan 8.370 nan 0.000 0.446 199 A N 0.591 123.159 122.820 -0.420 0.000 1.884 199 A HA -0.240 4.080 4.320 0.001 0.000 0.219 199 A C 2.552 179.806 177.584 -0.551 0.000 1.197 199 A CA 3.314 55.093 52.037 -0.430 0.000 0.637 199 A CB -1.076 17.679 19.000 -0.408 0.000 0.827 199 A HN 0.279 nan 8.150 nan 0.000 0.450 200 V N -1.859 117.626 119.914 -0.715 0.000 2.591 200 V HA -0.088 4.032 4.120 0.001 0.000 0.249 200 V C 2.211 177.634 176.094 -1.118 0.000 1.053 200 V CA 2.124 63.990 62.300 -0.724 0.000 1.068 200 V CB -1.032 30.466 31.823 -0.541 0.000 0.689 200 V HN 0.646 nan 8.190 nan 0.000 0.462 201 S N 1.575 116.484 115.700 -1.319 0.000 2.489 201 S HA -0.081 4.389 4.470 0.001 0.000 0.228 201 S C 1.691 175.525 174.600 -1.276 0.000 0.995 201 S CA 1.043 58.392 58.200 -1.417 0.000 0.934 201 S CB -0.756 61.761 63.200 -1.138 0.000 0.771 201 S HN 0.874 nan 8.310 nan 0.000 0.522 202 T N -1.637 112.325 114.554 -0.986 0.000 3.186 202 T HA 0.359 4.709 4.350 0.001 0.000 0.257 202 T C 0.191 174.510 174.700 -0.635 0.000 1.029 202 T CA -0.664 60.928 62.100 -0.846 0.000 0.916 202 T CB -1.135 67.447 68.868 -0.477 0.000 1.041 202 T HN 0.244 nan 8.240 nan 0.000 0.562 203 F N -0.414 119.375 119.950 -0.268 0.000 3.069 203 F HA -0.217 4.310 4.527 0.001 0.000 0.285 203 F C 1.208 176.946 175.800 -0.104 0.000 0.827 203 F CA 0.258 58.169 58.000 -0.148 0.000 1.108 203 F CB -2.498 36.461 39.000 -0.068 0.000 1.252 203 F HN 0.265 nan 8.300 nan 0.000 0.483 204 K N 0.371 120.736 120.400 -0.058 0.000 2.103 204 K HA 0.236 4.557 4.320 0.001 0.000 0.204 204 K C 0.837 177.460 176.600 0.038 0.000 1.052 204 K CA 1.184 57.462 56.287 -0.016 0.000 0.945 204 K CB 0.202 32.649 32.500 -0.089 0.000 0.722 204 K HN 0.440 nan 8.250 nan 0.000 0.443 205 I N 0.074 120.616 120.570 -0.046 0.000 2.404 205 I HA 0.161 4.331 4.170 0.001 0.000 0.293 205 I C -0.414 175.697 176.117 -0.010 0.000 0.992 205 I CA -0.608 60.670 61.300 -0.038 0.000 1.149 205 I CB 2.105 40.006 38.000 -0.165 0.000 1.315 205 I HN -0.121 nan 8.210 nan 0.000 0.446 206 S N 5.949 121.666 115.700 0.030 0.000 2.549 206 S HA 0.755 5.225 4.470 0.001 0.000 0.297 206 S C -0.629 174.030 174.600 0.098 0.000 1.115 206 S CA -0.497 57.764 58.200 0.102 0.000 1.059 206 S CB 1.102 64.366 63.200 0.107 0.000 1.046 206 S HN 0.334 nan 8.310 nan 0.000 0.506 207 L N 3.591 124.916 121.223 0.170 0.000 2.401 207 L HA 0.496 4.836 4.340 0.001 0.000 0.266 207 L C -2.362 174.584 176.870 0.127 0.000 0.991 207 L CA -2.343 52.574 54.840 0.129 0.000 0.818 207 L CB 2.238 44.384 42.059 0.146 0.000 1.321 207 L HN 0.444 nan 8.230 nan 0.000 0.413 208 P HA -0.004 nan 4.420 nan 0.000 0.266 208 P C 0.482 177.800 177.300 0.030 0.000 1.186 208 P CA 0.105 63.246 63.100 0.067 0.000 0.767 208 P CB 0.485 32.212 31.700 0.044 0.000 0.820 209 T N 3.477 118.069 114.554 0.063 0.000 2.684 209 T HA -0.099 4.251 4.350 0.001 0.000 0.267 209 T C -0.848 173.810 174.700 -0.069 0.000 1.036 209 T CA 1.956 64.051 62.100 -0.008 0.000 1.148 209 T CB -1.781 67.166 68.868 0.131 0.000 0.863 209 T HN 0.534 nan 8.240 nan 0.000 0.436 210 P HA -0.034 nan 4.420 nan 0.000 0.216 210 P C 1.566 178.947 177.300 0.134 0.000 1.153 210 P CA 1.099 64.261 63.100 0.104 0.000 0.858 210 P CB -0.252 31.534 31.700 0.144 0.000 0.789 211 I N -1.155 119.430 120.570 0.025 0.000 2.133 211 I HA -0.210 3.960 4.170 0.001 0.000 0.238 211 I C 2.580 178.600 176.117 -0.161 0.000 1.074 211 I CA 1.458 62.684 61.300 -0.122 0.000 1.342 211 I CB -0.661 37.257 38.000 -0.137 0.000 1.053 211 I HN -0.143 nan 8.210 nan 0.000 0.404 212 M N 0.462 119.916 119.600 -0.244 0.000 2.279 212 M HA -0.120 4.360 4.480 0.001 0.000 0.264 212 M C 2.505 178.594 176.300 -0.351 0.000 1.062 212 M CA 1.683 56.759 55.300 -0.375 0.000 1.099 212 M CB -1.138 30.935 32.600 -0.879 0.000 1.394 212 M HN 0.377 nan 8.290 nan 0.000 0.426 213 S N -0.831 114.694 115.700 -0.292 0.000 2.446 213 S HA 0.088 4.559 4.470 0.001 0.000 0.225 213 S C 1.932 176.563 174.600 0.052 0.000 1.016 213 S CA 0.783 58.924 58.200 -0.099 0.000 0.943 213 S CB -0.485 62.690 63.200 -0.042 0.000 0.786 213 S HN 0.488 nan 8.310 nan 0.000 0.508 214 G N 1.037 109.909 108.800 0.120 0.000 2.720 214 G HA2 0.264 4.225 3.960 0.001 0.000 0.204 214 G HA3 0.264 4.225 3.960 0.001 0.000 0.204 214 G C 0.234 175.324 174.900 0.317 0.000 1.113 214 G CA -0.071 45.211 45.100 0.302 0.000 0.805 214 G HN 0.366 nan 8.290 nan 0.000 0.536 215 V N 2.791 122.724 119.914 0.031 0.000 2.452 215 V HA 0.226 4.347 4.120 0.001 0.000 0.286 215 V C 1.203 177.297 176.094 -0.001 0.000 0.995 215 V CA 1.659 63.885 62.300 -0.123 0.000 1.116 215 V CB -0.273 31.264 31.823 -0.476 0.000 0.954 215 V HN 0.821 nan 8.190 nan 0.000 0.473 216 R N 2.464 123.023 120.500 0.099 0.000 1.703 216 R HA -0.101 4.240 4.340 0.001 0.000 0.358 216 R C 0.327 176.680 176.300 0.088 0.000 0.191 216 R CA 0.618 56.714 56.100 -0.006 0.000 1.436 216 R CB -1.359 28.837 30.300 -0.173 0.000 1.807 216 R HN 0.685 nan 8.270 nan 0.000 0.184 217 T N -1.490 113.183 114.554 0.198 0.000 2.897 217 T HA 0.603 4.953 4.350 0.001 0.000 0.278 217 T C -2.043 172.753 174.700 0.161 0.000 0.981 217 T CA -1.527 60.702 62.100 0.216 0.000 0.973 217 T CB 1.992 70.983 68.868 0.205 0.000 1.092 217 T HN -0.104 nan 8.240 nan 0.000 0.543 218 P HA 0.107 nan 4.420 nan 0.000 0.234 218 P C 0.774 178.062 177.300 -0.020 0.000 1.167 218 P CA 0.408 63.516 63.100 0.014 0.000 0.763 218 P CB -0.218 31.476 31.700 -0.011 0.000 0.835 219 T N -0.039 114.515 114.554 -0.001 0.000 2.698 219 T HA 0.214 4.564 4.350 0.001 0.000 0.295 219 T C 0.866 175.457 174.700 -0.182 0.000 1.007 219 T CA -0.125 61.906 62.100 -0.115 0.000 0.980 219 T CB 0.252 69.037 68.868 -0.139 0.000 1.036 219 T HN -0.150 nan 8.240 nan 0.000 0.526 220 R N 1.151 121.395 120.500 -0.427 0.000 2.508 220 R HA 0.174 4.515 4.340 0.001 0.000 0.420 220 R C -0.884 174.918 176.300 -0.829 0.000 0.866 220 R CA -0.303 55.492 56.100 -0.508 0.000 1.103 220 R CB 0.583 30.730 30.300 -0.254 0.000 1.657 220 R HN 0.516 nan 8.270 nan 0.000 0.562 221 Q N 0.352 119.518 119.800 -1.057 0.000 2.425 221 Q HA 0.361 4.701 4.340 0.001 0.000 0.254 221 Q C -0.213 175.313 176.000 -0.789 0.000 1.032 221 Q CA -0.164 55.219 55.803 -0.700 0.000 0.798 221 Q CB 0.659 29.176 28.738 -0.369 0.000 1.210 221 Q HN 0.045 nan 8.270 nan 0.000 0.491 222 F N -0.733 119.198 119.950 -0.031 0.000 2.724 222 F HA 0.094 4.622 4.527 0.001 0.000 0.310 222 F C 1.032 176.824 175.800 -0.013 0.000 1.107 222 F CA -0.645 57.346 58.000 -0.015 0.000 1.218 222 F CB 0.379 39.374 39.000 -0.009 0.000 1.042 222 F HN 0.130 nan 8.300 nan 0.000 0.540 223 S N -0.619 115.136 115.700 0.091 0.000 2.549 223 S HA 0.169 4.639 4.470 0.001 0.000 0.286 223 S C 0.965 175.596 174.600 0.052 0.000 1.314 223 S CA -0.036 58.202 58.200 0.065 0.000 1.062 223 S CB 1.473 64.728 63.200 0.092 0.000 0.865 223 S HN 0.177 nan 8.310 nan 0.000 0.498 224 S N 1.273 116.988 115.700 0.024 0.000 2.591 224 S HA 0.276 4.746 4.470 0.001 0.000 0.235 224 S C 0.455 175.044 174.600 -0.018 0.000 1.074 224 S CA 0.257 58.469 58.200 0.019 0.000 0.925 224 S CB -0.263 62.952 63.200 0.024 0.000 0.818 224 S HN 1.064 nan 8.310 nan 0.000 0.535 225 c N 1.230 119.795 118.600 -0.060 0.000 3.171 225 c HA 0.869 5.440 4.570 0.001 0.000 0.336 225 c C -0.637 173.349 174.090 -0.173 0.000 1.198 225 c CA -1.472 54.795 56.329 -0.103 0.000 1.319 225 c CB 0.842 43.314 42.510 -0.063 0.000 1.682 225 c HN 0.329 nan 8.230 nan 0.000 0.497 226 V N -0.164 119.600 119.914 -0.249 0.000 2.864 226 V HA 0.934 5.054 4.120 0.001 0.000 0.314 226 V C -1.204 174.780 176.094 -0.183 0.000 1.073 226 V CA -0.740 61.370 62.300 -0.315 0.000 0.956 226 V CB 1.715 33.132 31.823 -0.677 0.000 1.023 226 V HN 0.819 nan 8.190 nan 0.000 0.435 227 L N 4.405 125.542 121.223 -0.144 0.000 2.343 227 L HA 0.658 4.999 4.340 0.001 0.000 0.278 227 L C -0.429 176.386 176.870 -0.092 0.000 0.996 227 L CA 0.050 54.825 54.840 -0.107 0.000 0.831 227 L CB 1.426 43.414 42.059 -0.119 0.000 1.232 227 L HN 0.622 nan 8.230 nan 0.000 0.413 228 I N 2.125 122.646 120.570 -0.081 0.000 2.441 228 I HA 0.442 4.613 4.170 0.001 0.000 0.295 228 I C -0.146 175.924 176.117 -0.077 0.000 0.994 228 I CA -0.554 60.705 61.300 -0.069 0.000 1.144 228 I CB 2.048 40.005 38.000 -0.071 0.000 1.314 228 I HN 0.564 nan 8.210 nan 0.000 0.445 229 E N 5.117 125.281 120.200 -0.059 0.000 2.145 229 E HA 0.342 4.693 4.350 0.001 0.000 0.270 229 E C -1.577 175.006 176.600 -0.028 0.000 0.906 229 E CA -0.616 55.757 56.400 -0.044 0.000 0.761 229 E CB 1.798 31.472 29.700 -0.044 0.000 1.116 229 E HN 0.709 nan 8.360 nan 0.000 0.408 230 C N 4.168 123.459 119.300 -0.016 0.000 2.388 230 C HA 0.783 5.243 4.460 0.001 0.000 0.362 230 C C 0.809 175.824 174.990 0.042 0.000 1.266 230 C CA -0.115 58.915 59.018 0.021 0.000 2.028 230 C CB -0.292 27.483 27.740 0.060 0.000 2.440 230 C HN 0.854 nan 8.230 nan 0.000 0.547 231 G N 2.739 111.566 108.800 0.045 0.000 2.502 231 G HA2 0.334 4.295 3.960 0.001 0.000 0.305 231 G HA3 0.334 4.295 3.960 0.001 0.000 0.305 231 G C -0.516 174.415 174.900 0.052 0.000 1.190 231 G CA -0.135 44.979 45.100 0.023 0.000 0.933 231 G HN 0.775 nan 8.290 nan 0.000 0.503 232 D N -0.409 119.994 120.400 0.005 0.000 2.801 232 D HA 0.332 4.973 4.640 0.001 0.000 0.232 232 D C 0.257 176.569 176.300 0.020 0.000 1.128 232 D CA 0.004 53.997 54.000 -0.012 0.000 1.003 232 D CB -0.447 40.251 40.800 -0.169 0.000 1.110 232 D HN 0.452 nan 8.370 nan 0.000 0.477 233 S N 0.233 116.066 115.700 0.221 0.000 2.537 233 S HA 0.237 4.708 4.470 0.001 0.000 0.271 233 S C 0.933 175.646 174.600 0.189 0.000 1.148 233 S CA -0.893 57.466 58.200 0.266 0.000 0.868 233 S CB 0.760 64.021 63.200 0.101 0.000 1.115 233 S HN 0.100 nan 8.310 nan 0.000 0.461 234 L N 1.311 122.623 121.223 0.149 0.000 2.043 234 L HA -0.127 4.213 4.340 0.001 0.000 0.212 234 L C 2.038 178.922 176.870 0.025 0.000 1.075 234 L CA 1.672 56.501 54.840 -0.018 0.000 0.752 234 L CB -0.650 41.407 42.059 -0.003 0.000 0.891 234 L HN 0.724 nan 8.230 nan 0.000 0.432 235 D N -0.627 119.807 120.400 0.056 0.000 2.116 235 D HA -0.213 4.427 4.640 0.001 0.000 0.193 235 D C 2.354 178.692 176.300 0.063 0.000 0.998 235 D CA 1.783 55.816 54.000 0.055 0.000 0.836 235 D CB -0.124 40.706 40.800 0.051 0.000 0.951 235 D HN 0.169 nan 8.370 nan 0.000 0.449 236 S N -0.263 115.477 115.700 0.066 0.000 2.355 236 S HA -0.077 4.393 4.470 0.001 0.000 0.222 236 S C 2.204 176.870 174.600 0.110 0.000 1.031 236 S CA 0.462 58.707 58.200 0.075 0.000 0.993 236 S CB -0.249 62.992 63.200 0.068 0.000 0.859 236 S HN 0.171 nan 8.310 nan 0.000 0.453 237 I N 1.971 122.600 120.570 0.098 0.000 2.151 237 I HA -0.261 3.910 4.170 0.001 0.000 0.243 237 I C 2.401 178.663 176.117 0.242 0.000 1.080 237 I CA 1.308 62.708 61.300 0.166 0.000 1.339 237 I CB -0.651 37.238 38.000 -0.185 0.000 1.039 237 I HN 0.317 nan 8.210 nan 0.000 0.409 238 N N 1.089 119.874 118.700 0.141 0.000 2.025 238 N HA -0.170 4.571 4.740 0.001 0.000 0.194 238 N C 1.908 177.514 175.510 0.159 0.000 1.044 238 N CA 1.929 55.075 53.050 0.160 0.000 0.851 238 N CB -0.540 38.009 38.487 0.102 0.000 1.036 238 N HN 0.387 nan 8.380 nan 0.000 0.422 239 A N 0.255 123.145 122.820 0.117 0.000 1.883 239 A HA -0.168 4.152 4.320 0.001 0.000 0.217 239 A C 2.403 180.047 177.584 0.100 0.000 1.186 239 A CA 2.316 54.410 52.037 0.094 0.000 0.624 239 A CB -1.307 17.736 19.000 0.072 0.000 0.822 239 A HN 0.362 nan 8.150 nan 0.000 0.444 240 T N -0.386 114.233 114.554 0.107 0.000 2.624 240 T HA -0.218 4.133 4.350 0.001 0.000 0.268 240 T C 2.285 177.033 174.700 0.079 0.000 1.041 240 T CA 2.067 64.195 62.100 0.047 0.000 1.159 240 T CB -0.498 68.358 68.868 -0.019 0.000 0.863 240 T HN 0.582 nan 8.240 nan 0.000 0.434 241 S N 0.385 116.225 115.700 0.234 0.000 2.359 241 S HA -0.168 4.302 4.470 0.001 0.000 0.223 241 S C 2.385 177.060 174.600 0.124 0.000 1.039 241 S CA 1.962 60.302 58.200 0.233 0.000 1.042 241 S CB -0.628 62.756 63.200 0.306 0.000 0.915 241 S HN 0.470 nan 8.310 nan 0.000 0.439 242 S N 1.477 117.246 115.700 0.116 0.000 2.359 242 S HA -0.129 4.341 4.470 0.001 0.000 0.223 242 S C 2.255 176.889 174.600 0.056 0.000 1.039 242 S CA 1.338 59.583 58.200 0.075 0.000 1.042 242 S CB -0.983 62.257 63.200 0.067 0.000 0.915 242 S HN 0.753 nan 8.310 nan 0.000 0.439 243 A N 1.618 124.479 122.820 0.070 0.000 1.892 243 A HA -0.160 4.160 4.320 0.001 0.000 0.218 243 A C 2.076 179.744 177.584 0.140 0.000 1.188 243 A CA 1.696 53.790 52.037 0.096 0.000 0.631 243 A CB -0.936 18.137 19.000 0.122 0.000 0.822 243 A HN 0.517 nan 8.150 nan 0.000 0.447 244 I N -0.392 120.241 120.570 0.106 0.000 2.163 244 I HA -0.262 3.908 4.170 0.001 0.000 0.243 244 I C 2.385 178.558 176.117 0.093 0.000 1.085 244 I CA 1.565 62.926 61.300 0.101 0.000 1.347 244 I CB -0.697 37.333 38.000 0.051 0.000 1.044 244 I HN 0.184 nan 8.210 nan 0.000 0.408 245 V N 1.095 121.044 119.914 0.059 0.000 2.287 245 V HA -0.296 3.825 4.120 0.001 0.000 0.248 245 V C 2.571 178.674 176.094 0.015 0.000 1.053 245 V CA 1.794 64.115 62.300 0.035 0.000 1.027 245 V CB -0.793 31.045 31.823 0.025 0.000 0.646 245 V HN 0.380 nan 8.190 nan 0.000 0.447 246 K N -0.805 119.584 120.400 -0.019 0.000 2.032 246 K HA -0.189 4.132 4.320 0.001 0.000 0.209 246 K C 2.123 178.645 176.600 -0.130 0.000 1.048 246 K CA 1.782 58.003 56.287 -0.110 0.000 0.927 246 K CB -0.609 31.767 32.500 -0.207 0.000 0.712 246 K HN 0.491 nan 8.250 nan 0.000 0.441 247 Y N 0.979 121.277 120.300 -0.004 0.000 2.352 247 Y HA -0.140 4.411 4.550 0.001 0.000 0.292 247 Y C 2.223 178.119 175.900 -0.007 0.000 1.136 247 Y CA 0.741 58.837 58.100 -0.008 0.000 1.227 247 Y CB -0.390 38.068 38.460 -0.003 0.000 0.991 247 Y HN -0.080 nan 8.280 nan 0.000 0.545 248 V N -2.807 117.190 119.914 0.139 0.000 3.406 248 V HA -0.032 4.088 4.120 0.001 0.000 0.263 248 V C 1.953 178.079 176.094 0.054 0.000 1.172 248 V CA 1.150 63.503 62.300 0.088 0.000 1.140 248 V CB -0.691 31.170 31.823 0.063 0.000 0.784 248 V HN 0.385 nan 8.190 nan 0.000 0.467 249 S N 0.062 115.782 115.700 0.034 0.000 2.522 249 S HA -0.050 4.420 4.470 0.001 0.000 0.227 249 S C 1.593 176.195 174.600 0.002 0.000 0.986 249 S CA 0.979 59.184 58.200 0.007 0.000 0.929 249 S CB -0.415 62.777 63.200 -0.014 0.000 0.769 249 S HN 0.722 nan 8.310 nan 0.000 0.529 250 Q N 0.164 119.977 119.800 0.022 0.000 2.175 250 Q HA 0.424 4.764 4.340 0.001 0.000 0.225 250 Q C -0.230 175.800 176.000 0.050 0.000 0.837 250 Q CA -0.342 55.472 55.803 0.019 0.000 1.032 250 Q CB 0.197 28.941 28.738 0.010 0.000 1.137 250 Q HN 0.490 nan 8.270 nan 0.000 0.483 251 R N -1.649 118.882 120.500 0.052 0.000 3.951 251 R HA -0.211 4.129 4.340 0.001 0.000 0.352 251 R C -0.243 176.093 176.300 0.059 0.000 1.178 251 R CA 0.592 56.722 56.100 0.050 0.000 0.949 251 R CB -2.227 28.097 30.300 0.041 0.000 1.452 251 R HN 0.283 nan 8.270 nan 0.000 0.540 252 A N 0.782 123.650 122.820 0.081 0.000 2.371 252 A HA 0.605 4.926 4.320 0.001 0.000 0.257 252 A C 0.961 178.559 177.584 0.024 0.000 1.089 252 A CA 0.360 52.426 52.037 0.049 0.000 0.794 252 A CB 0.547 19.575 19.000 0.047 0.000 1.029 252 A HN 0.305 nan 8.150 nan 0.000 0.488 253 G N 0.772 109.571 108.800 -0.000 0.000 2.372 253 G HA2 0.510 4.471 3.960 0.001 0.000 0.283 253 G HA3 0.510 4.471 3.960 0.001 0.000 0.283 253 G C -0.323 174.563 174.900 -0.024 0.000 1.177 253 G CA -0.392 44.711 45.100 0.005 0.000 0.842 253 G HN 0.507 nan 8.290 nan 0.000 0.503 254 I N 1.323 121.888 120.570 -0.008 0.000 2.441 254 I HA 0.475 4.646 4.170 0.001 0.000 0.295 254 I C 0.639 176.759 176.117 0.005 0.000 0.994 254 I CA -0.938 60.346 61.300 -0.026 0.000 1.144 254 I CB 1.292 39.279 38.000 -0.022 0.000 1.314 254 I HN 0.513 nan 8.210 nan 0.000 0.445 255 G N 6.671 115.479 108.800 0.013 0.000 2.502 255 G HA2 0.705 4.665 3.960 0.001 0.000 0.311 255 G HA3 0.705 4.665 3.960 0.001 0.000 0.311 255 G C -0.774 174.180 174.900 0.091 0.000 1.270 255 G CA -0.285 44.900 45.100 0.141 0.000 0.948 255 G HN 0.443 nan 8.290 nan 0.000 0.487 256 I N 2.164 122.800 120.570 0.110 0.000 2.377 256 I HA 0.233 4.403 4.170 0.001 0.000 0.293 256 I C -0.374 175.828 176.117 0.143 0.000 0.987 256 I CA -0.993 60.304 61.300 -0.005 0.000 1.185 256 I CB 2.071 39.949 38.000 -0.202 0.000 1.341 256 I HN 0.328 nan 8.210 nan 0.000 0.455 257 N N 5.365 124.109 118.700 0.073 0.000 2.439 257 N HA 0.459 5.200 4.740 0.001 0.000 0.249 257 N C -0.193 175.396 175.510 0.132 0.000 1.003 257 N CA -0.258 52.890 53.050 0.163 0.000 0.942 257 N CB 1.600 40.133 38.487 0.076 0.000 1.115 257 N HN 0.721 nan 8.380 nan 0.000 0.505 258 A N 2.378 125.318 122.820 0.200 0.000 2.606 258 A HA 0.363 4.683 4.320 0.001 0.000 0.290 258 A C 1.493 179.279 177.584 0.338 0.000 1.174 258 A CA 0.008 52.194 52.037 0.248 0.000 0.958 258 A CB -0.246 18.912 19.000 0.263 0.000 1.194 258 A HN 0.649 nan 8.150 nan 0.000 0.526 259 G N 0.705 109.722 108.800 0.361 0.000 2.432 259 G HA2 -0.208 3.752 3.960 0.001 0.000 0.219 259 G HA3 -0.208 3.752 3.960 0.001 0.000 0.219 259 G C 1.508 176.594 174.900 0.311 0.000 1.135 259 G CA 0.842 46.199 45.100 0.428 0.000 0.767 259 G HN 0.555 nan 8.290 nan 0.000 0.550 260 R N -0.312 120.227 120.500 0.065 0.000 2.236 260 R HA 0.242 4.582 4.340 0.001 0.000 0.208 260 R C 0.705 177.057 176.300 0.087 0.000 1.036 260 R CA -0.245 55.780 56.100 -0.124 0.000 1.001 260 R CB -0.115 29.988 30.300 -0.329 0.000 0.896 260 R HN 0.311 nan 8.270 nan 0.000 0.464 261 I N 3.639 124.342 120.570 0.221 0.000 2.742 261 I HA -0.109 4.062 4.170 0.001 0.000 0.287 261 I C 0.627 176.950 176.117 0.344 0.000 1.186 261 I CA 0.140 61.623 61.300 0.306 0.000 1.417 261 I CB 0.207 38.459 38.000 0.419 0.000 1.377 261 I HN 0.217 nan 8.210 nan 0.000 0.556 262 R N 5.987 126.587 120.500 0.168 0.000 2.756 262 R HA 0.465 4.805 4.340 0.001 0.000 0.264 262 R C -0.011 176.434 176.300 0.242 0.000 1.026 262 R CA -0.633 55.532 56.100 0.109 0.000 1.121 262 R CB 0.194 30.422 30.300 -0.120 0.000 0.999 262 R HN 0.599 nan 8.270 nan 0.000 0.449 263 A N 3.078 125.978 122.820 0.133 0.000 2.332 263 A HA 0.255 4.575 4.320 0.001 0.000 0.258 263 A C 0.047 177.699 177.584 0.114 0.000 1.087 263 A CA -0.801 51.329 52.037 0.155 0.000 0.802 263 A CB 0.335 19.346 19.000 0.019 0.000 1.042 263 A HN 0.777 nan 8.150 nan 0.000 0.489 264 L N 1.687 122.971 121.223 0.102 0.000 2.578 264 L HA 0.418 4.758 4.340 0.001 0.000 0.279 264 L C 1.161 178.069 176.870 0.064 0.000 1.227 264 L CA 2.058 56.944 54.840 0.076 0.000 0.900 264 L CB 0.108 42.186 42.059 0.031 0.000 1.144 264 L HN 1.641 nan 8.230 nan 0.000 0.496 265 G N 2.107 110.962 108.800 0.092 0.000 2.254 265 G HA2 -0.255 3.706 3.960 0.001 0.000 0.225 265 G HA3 -0.255 3.706 3.960 0.001 0.000 0.225 265 G C 0.501 175.431 174.900 0.050 0.000 1.003 265 G CA 0.106 45.263 45.100 0.095 0.000 0.622 265 G HN 0.859 nan 8.290 nan 0.000 0.507 266 S N 3.014 118.710 115.700 -0.007 0.000 2.579 266 S HA 0.490 4.961 4.470 0.001 0.000 0.275 266 S C -1.815 172.659 174.600 -0.211 0.000 1.345 266 S CA -0.299 57.857 58.200 -0.073 0.000 1.031 266 S CB 1.070 64.231 63.200 -0.064 0.000 0.892 266 S HN 0.368 nan 8.310 nan 0.000 0.529 267 P HA 0.124 nan 4.420 nan 0.000 0.269 267 P C -0.144 176.994 177.300 -0.269 0.000 1.209 267 P CA -0.312 62.655 63.100 -0.222 0.000 0.776 267 P CB 0.194 31.839 31.700 -0.092 0.000 0.876 268 I N 2.374 122.788 120.570 -0.260 0.000 2.664 268 I HA -0.011 4.159 4.170 0.001 0.000 0.284 268 I C 0.827 176.934 176.117 -0.015 0.000 1.154 268 I CA -0.312 60.945 61.300 -0.072 0.000 1.402 268 I CB 0.108 38.162 38.000 0.091 0.000 1.395 268 I HN 0.142 nan 8.210 nan 0.000 0.545 269 R N 6.958 127.455 120.500 -0.005 0.000 3.688 269 R HA 0.235 4.575 4.340 0.001 0.000 0.194 269 R C 0.690 177.006 176.300 0.026 0.000 1.677 269 R CA 0.555 56.642 56.100 -0.021 0.000 1.351 269 R CB -0.864 29.389 30.300 -0.079 0.000 1.338 269 R HN 0.886 nan 8.270 nan 0.000 0.731 270 G N 0.984 109.802 108.800 0.030 0.000 2.371 270 G HA2 -0.161 3.800 3.960 0.001 0.000 0.299 270 G HA3 -0.161 3.800 3.960 0.001 0.000 0.299 270 G C 0.769 175.702 174.900 0.056 0.000 1.014 270 G CA 0.488 45.611 45.100 0.038 0.000 1.097 270 G HN 1.099 nan 8.290 nan 0.000 0.512 271 G N -1.025 107.822 108.800 0.077 0.000 2.391 271 G HA2 -0.174 3.786 3.960 0.001 0.000 0.204 271 G HA3 -0.174 3.786 3.960 0.001 0.000 0.204 271 G C 0.169 175.139 174.900 0.116 0.000 1.012 271 G CA 0.384 45.535 45.100 0.083 0.000 0.651 271 G HN 0.901 nan 8.290 nan 0.000 0.494 272 E N 1.669 121.967 120.200 0.163 0.000 2.070 272 E HA 0.558 4.909 4.350 0.001 0.000 0.282 272 E C 0.479 177.283 176.600 0.341 0.000 1.104 272 E CA 0.285 56.847 56.400 0.269 0.000 0.876 272 E CB 1.046 31.006 29.700 0.434 0.000 1.055 272 E HN 0.599 nan 8.360 nan 0.000 0.401 273 A N 4.602 127.551 122.820 0.215 0.000 2.922 273 A HA 0.165 4.486 4.320 0.001 0.000 0.298 273 A C -0.342 177.371 177.584 0.214 0.000 1.588 273 A CA -0.262 51.908 52.037 0.222 0.000 1.288 273 A CB -0.464 18.626 19.000 0.150 0.000 1.130 273 A HN 0.568 nan 8.150 nan 0.000 0.557 274 F N 0.389 120.399 119.950 0.100 0.000 2.645 274 F HA 0.136 4.663 4.527 0.001 0.000 0.300 274 F C 1.808 177.639 175.800 0.051 0.000 1.115 274 F CA -0.431 57.654 58.000 0.142 0.000 1.355 274 F CB -0.415 38.661 39.000 0.126 0.000 1.026 274 F HN 0.641 nan 8.300 nan 0.000 0.536 275 H N 0.170 119.358 119.070 0.198 0.000 2.357 275 H HA -0.179 4.377 4.556 0.001 0.000 0.296 275 H C 2.297 177.656 175.328 0.050 0.000 1.108 275 H CA 2.259 58.365 56.048 0.096 0.000 1.273 275 H CB -0.529 29.264 29.762 0.052 0.000 1.367 275 H HN 0.297 nan 8.280 nan 0.000 0.498 276 T N -2.024 112.610 114.554 0.133 0.000 3.072 276 T HA 0.247 4.598 4.350 0.001 0.000 0.266 276 T C 1.180 175.860 174.700 -0.032 0.000 1.127 276 T CA 0.722 62.820 62.100 -0.004 0.000 1.107 276 T CB -0.091 68.705 68.868 -0.121 0.000 0.910 276 T HN 0.694 nan 8.240 nan 0.000 0.513 277 G N -0.237 108.603 108.800 0.067 0.000 2.725 277 G HA2 -0.225 3.736 3.960 0.001 0.000 0.220 277 G HA3 -0.225 3.736 3.960 0.001 0.000 0.220 277 G C 0.790 175.728 174.900 0.063 0.000 1.357 277 G CA -0.552 44.603 45.100 0.090 0.000 0.866 277 G HN 0.386 nan 8.290 nan 0.000 0.548 278 C N 0.252 119.557 119.300 0.008 0.000 2.446 278 C HA 0.005 4.466 4.460 0.001 0.000 0.277 278 C C 3.033 177.823 174.990 -0.335 0.000 1.275 278 C CA 1.286 60.240 59.018 -0.107 0.000 1.727 278 C CB -1.577 25.880 27.740 -0.472 0.000 2.010 278 C HN 0.552 nan 8.230 nan 0.000 0.486 279 I N 2.264 122.579 120.570 -0.425 0.000 2.087 279 I HA -0.191 3.979 4.170 0.001 0.000 0.240 279 I C -0.247 175.760 176.117 -0.183 0.000 1.054 279 I CA 2.094 63.193 61.300 -0.336 0.000 1.311 279 I CB -2.839 35.013 38.000 -0.248 0.000 1.024 279 I HN 0.193 nan 8.210 nan 0.000 0.402 280 P HA -0.205 nan 4.420 nan 0.000 0.217 280 P C 1.858 178.957 177.300 -0.335 0.000 1.158 280 P CA 1.897 64.789 63.100 -0.346 0.000 0.887 280 P CB -0.259 31.116 31.700 -0.542 0.000 0.792 281 F N -2.394 117.475 119.950 -0.134 0.000 2.113 281 F HA -0.147 4.380 4.527 0.001 0.000 0.297 281 F C 2.556 178.195 175.800 -0.269 0.000 1.103 281 F CA 0.992 58.839 58.000 -0.256 0.000 1.248 281 F CB -1.858 36.987 39.000 -0.257 0.000 0.999 281 F HN -0.135 nan 8.300 nan 0.000 0.475 282 Y N 0.710 121.006 120.300 -0.007 0.000 2.069 282 Y HA -0.292 4.259 4.550 0.001 0.000 0.278 282 Y C 2.443 178.407 175.900 0.108 0.000 1.175 282 Y CA 1.208 59.398 58.100 0.150 0.000 1.134 282 Y CB -1.394 37.184 38.460 0.197 0.000 0.965 282 Y HN 0.009 nan 8.280 nan 0.000 0.498 283 K N -1.090 119.438 120.400 0.213 0.000 2.074 283 K HA -0.266 4.054 4.320 0.001 0.000 0.209 283 K C 2.056 178.738 176.600 0.136 0.000 1.048 283 K CA 1.855 58.227 56.287 0.143 0.000 0.926 283 K CB -0.393 32.146 32.500 0.064 0.000 0.713 283 K HN 0.338 nan 8.250 nan 0.000 0.444 284 H N -0.831 118.223 119.070 -0.027 0.000 2.387 284 H HA -0.096 4.460 4.556 0.001 0.000 0.299 284 H C 1.410 176.772 175.328 0.057 0.000 1.090 284 H CA 1.773 57.799 56.048 -0.037 0.000 1.332 284 H CB -0.020 29.680 29.762 -0.103 0.000 1.386 284 H HN 0.106 nan 8.280 nan 0.000 0.516 285 F N 0.541 120.561 119.950 0.116 0.000 2.163 285 F HA -0.094 4.434 4.527 0.001 0.000 0.297 285 F C 2.821 178.624 175.800 0.005 0.000 1.094 285 F CA 1.336 59.347 58.000 0.019 0.000 1.290 285 F CB -1.080 37.956 39.000 0.059 0.000 1.017 285 F HN 0.294 nan 8.300 nan 0.000 0.483 286 Q N 0.474 120.414 119.800 0.233 0.000 2.077 286 Q HA -0.236 4.105 4.340 0.001 0.000 0.206 286 Q C 2.180 178.243 176.000 0.105 0.000 0.989 286 Q CA 2.905 58.804 55.803 0.159 0.000 0.853 286 Q CB -0.273 28.572 28.738 0.177 0.000 0.907 286 Q HN 0.522 nan 8.270 nan 0.000 0.418 287 T N -1.995 112.601 114.554 0.070 0.000 2.867 287 T HA 0.001 4.352 4.350 0.001 0.000 0.268 287 T C 1.843 176.544 174.700 0.002 0.000 1.057 287 T CA 1.041 63.163 62.100 0.036 0.000 1.136 287 T CB -0.429 68.460 68.868 0.036 0.000 0.874 287 T HN 0.378 nan 8.240 nan 0.000 0.466 288 A N 1.336 124.135 122.820 -0.036 0.000 1.877 288 A HA 0.065 4.385 4.320 0.001 0.000 0.216 288 A C 2.648 180.250 177.584 0.030 0.000 1.186 288 A CA 1.602 53.627 52.037 -0.020 0.000 0.620 288 A CB -1.177 17.823 19.000 -0.001 0.000 0.822 288 A HN 0.401 nan 8.150 nan 0.000 0.443 289 V N -0.182 119.764 119.914 0.053 0.000 2.287 289 V HA -0.241 3.880 4.120 0.001 0.000 0.248 289 V C 2.238 178.357 176.094 0.041 0.000 1.053 289 V CA 2.463 64.794 62.300 0.051 0.000 1.027 289 V CB -0.553 31.304 31.823 0.057 0.000 0.646 289 V HN 0.507 nan 8.190 nan 0.000 0.447 290 K N 0.494 120.918 120.400 0.040 0.000 2.458 290 K HA 0.046 4.367 4.320 0.001 0.000 0.194 290 K C 1.936 178.549 176.600 0.021 0.000 1.024 290 K CA 0.600 56.903 56.287 0.026 0.000 1.108 290 K CB -0.114 32.402 32.500 0.026 0.000 0.846 290 K HN 0.654 nan 8.250 nan 0.000 0.518 291 S N -0.931 114.782 115.700 0.022 0.000 2.440 291 S HA -0.152 4.318 4.470 0.001 0.000 0.238 291 S C 1.086 175.695 174.600 0.016 0.000 1.010 291 S CA 0.612 58.823 58.200 0.018 0.000 0.972 291 S CB -0.369 62.841 63.200 0.017 0.000 0.774 291 S HN 0.266 nan 8.310 nan 0.000 0.501 292 C N 3.053 122.362 119.300 0.016 0.000 2.808 292 C HA 0.708 5.168 4.460 0.001 0.000 0.261 292 C C 0.228 175.225 174.990 0.012 0.000 1.574 292 C CA -1.092 57.933 59.018 0.013 0.000 1.611 292 C CB -1.434 26.314 27.740 0.013 0.000 2.726 292 C HN 0.530 nan 8.230 nan 0.000 0.528 293 S N -0.639 115.066 115.700 0.009 0.000 2.548 293 S HA 0.471 4.942 4.470 0.001 0.000 0.276 293 S C 0.110 174.709 174.600 -0.001 0.000 1.129 293 S CA -0.590 57.612 58.200 0.004 0.000 0.931 293 S CB 1.533 64.734 63.200 0.001 0.000 1.068 293 S HN 0.279 nan 8.310 nan 0.000 0.480 294 Q N 2.166 121.965 119.800 -0.002 0.000 2.310 294 Q HA -0.278 4.062 4.340 0.001 0.000 0.223 294 Q C 1.944 177.941 176.000 -0.005 0.000 1.090 294 Q CA 2.969 58.770 55.803 -0.003 0.000 0.968 294 Q CB -1.241 27.494 28.738 -0.005 0.000 1.059 294 Q HN 1.031 nan 8.270 nan 0.000 0.497 295 G N -3.904 104.889 108.800 -0.012 0.000 2.651 295 G HA2 0.389 4.350 3.960 0.001 0.000 0.207 295 G HA3 0.389 4.350 3.960 0.001 0.000 0.207 295 G C 0.750 175.647 174.900 -0.006 0.000 1.131 295 G CA 0.541 45.636 45.100 -0.009 0.000 0.816 295 G HN 0.810 nan 8.290 nan 0.000 0.534 296 G N -1.140 107.651 108.800 -0.015 0.000 2.789 296 G HA2 0.082 4.042 3.960 0.001 0.000 0.218 296 G HA3 0.082 4.042 3.960 0.001 0.000 0.218 296 G C 0.564 175.444 174.900 -0.033 0.000 0.980 296 G CA 0.672 45.768 45.100 -0.007 0.000 0.848 296 G HN 1.200 nan 8.290 nan 0.000 0.591 297 V N -3.919 115.949 119.914 -0.076 0.000 3.180 297 V HA 0.505 4.626 4.120 0.001 0.000 0.246 297 V C 0.849 176.853 176.094 -0.150 0.000 1.545 297 V CA 0.184 62.376 62.300 -0.181 0.000 1.138 297 V CB 0.086 31.748 31.823 -0.268 0.000 0.978 297 V HN 0.137 nan 8.190 nan 0.000 0.437 298 R N 2.198 122.649 120.500 -0.081 0.000 2.272 298 R HA 0.530 4.870 4.340 0.001 0.000 0.334 298 R C 0.414 176.701 176.300 -0.022 0.000 1.117 298 R CA 1.152 57.223 56.100 -0.048 0.000 0.966 298 R CB 0.004 30.287 30.300 -0.030 0.000 1.049 298 R HN 0.948 nan 8.270 nan 0.000 0.477 299 G N 1.434 110.227 108.800 -0.011 0.000 2.629 299 G HA2 0.180 4.140 3.960 0.001 0.000 0.686 299 G HA3 0.180 4.140 3.960 0.001 0.000 0.686 299 G C -0.191 174.717 174.900 0.013 0.000 1.232 299 G CA -0.500 44.605 45.100 0.009 0.000 0.803 299 G HN 0.937 nan 8.290 nan 0.000 0.638 300 G N -1.153 107.663 108.800 0.027 0.000 3.316 300 G HA2 0.539 4.500 3.960 0.001 0.000 0.445 300 G HA3 0.539 4.500 3.960 0.001 0.000 0.445 300 G C 0.264 175.186 174.900 0.035 0.000 1.002 300 G CA 0.907 46.026 45.100 0.031 0.000 0.818 300 G HN 2.693 nan 8.290 nan 0.000 0.404 301 A N 1.474 124.319 122.820 0.041 0.000 2.423 301 A HA 1.225 5.545 4.320 0.001 0.000 0.304 301 A C 0.284 177.886 177.584 0.030 0.000 1.104 301 A CA 0.069 52.133 52.037 0.045 0.000 0.757 301 A CB 2.003 21.044 19.000 0.068 0.000 1.313 301 A HN 2.721 nan 8.150 nan 0.000 0.423 302 A N 0.120 122.946 122.820 0.010 0.000 2.604 302 A HA 0.805 5.126 4.320 0.001 0.000 0.295 302 A C -0.678 176.857 177.584 -0.083 0.000 1.067 302 A CA -0.387 51.639 52.037 -0.020 0.000 0.683 302 A CB 1.238 20.220 19.000 -0.030 0.000 1.281 302 A HN 0.980 nan 8.150 nan 0.000 0.407 303 T N 1.597 116.099 114.554 -0.087 0.000 2.841 303 T HA 0.580 4.931 4.350 0.001 0.000 0.285 303 T C -0.888 173.612 174.700 -0.334 0.000 0.991 303 T CA -0.195 61.759 62.100 -0.244 0.000 0.966 303 T CB 1.013 69.795 68.868 -0.143 0.000 0.962 303 T HN 0.651 nan 8.240 nan 0.000 0.438 304 L N 3.899 124.833 121.223 -0.481 0.000 2.322 304 L HA 0.739 5.080 4.340 0.001 0.000 0.281 304 L C -1.517 175.186 176.870 -0.278 0.000 1.014 304 L CA -0.799 53.901 54.840 -0.233 0.000 0.815 304 L CB 0.697 42.668 42.059 -0.147 0.000 1.247 304 L HN 0.527 nan 8.230 nan 0.000 0.421 305 F N 4.288 124.277 119.950 0.065 0.000 2.480 305 F HA 0.620 5.147 4.527 0.001 0.000 0.329 305 F C -0.537 175.353 175.800 0.150 0.000 1.091 305 F CA -0.458 57.562 58.000 0.033 0.000 0.972 305 F CB 1.543 40.571 39.000 0.047 0.000 1.150 305 F HN 0.359 nan 8.300 nan 0.000 0.467 306 Y N 0.295 120.770 120.300 0.292 0.000 2.592 306 Y HA 0.665 5.215 4.550 0.001 0.000 0.334 306 Y C -3.386 172.573 175.900 0.098 0.000 1.136 306 Y CA -3.723 54.493 58.100 0.194 0.000 1.042 306 Y CB 0.639 39.153 38.460 0.089 0.000 1.325 306 Y HN 0.230 nan 8.280 nan 0.000 0.457 307 P HA 0.088 nan 4.420 nan 0.000 0.271 307 P C 0.668 177.845 177.300 -0.206 0.000 1.218 307 P CA -0.257 62.669 63.100 -0.291 0.000 0.780 307 P CB 1.184 32.086 31.700 -1.331 0.000 0.901 308 M N 2.848 122.327 119.600 -0.202 0.000 2.149 308 M HA -0.096 4.385 4.480 0.001 0.000 0.261 308 M C 1.256 177.552 176.300 -0.007 0.000 1.064 308 M CA 1.855 57.115 55.300 -0.067 0.000 1.102 308 M CB -0.303 32.242 32.600 -0.091 0.000 1.369 308 M HN 0.482 nan 8.290 nan 0.000 0.408 309 W N -0.638 120.683 121.300 0.034 0.000 3.180 309 W HA 0.088 4.748 4.660 0.001 0.000 0.254 309 W C 0.349 176.960 176.519 0.153 0.000 1.318 309 W CA -0.411 56.996 57.345 0.103 0.000 1.608 309 W CB -1.511 28.054 29.460 0.175 0.000 1.124 309 W HN 0.135 nan 8.180 nan 0.000 0.694 310 H N 2.437 121.419 119.070 -0.147 0.000 3.038 310 H HA -0.128 4.429 4.556 0.001 0.000 0.338 310 H C 1.129 176.513 175.328 0.093 0.000 1.041 310 H CA 0.870 56.908 56.048 -0.016 0.000 1.394 310 H CB 1.503 31.199 29.762 -0.110 0.000 1.357 310 H HN 0.072 nan 8.280 nan 0.000 0.600 311 L N 4.532 125.669 121.223 -0.143 0.000 2.127 311 L HA -0.166 4.175 4.340 0.001 0.000 0.211 311 L C 1.580 178.504 176.870 0.090 0.000 1.089 311 L CA 1.867 56.698 54.840 -0.015 0.000 0.757 311 L CB -0.366 41.639 42.059 -0.090 0.000 0.899 311 L HN 0.717 nan 8.230 nan 0.000 0.434 312 E N -1.412 118.963 120.200 0.293 0.000 2.403 312 E HA -0.034 4.316 4.350 0.001 0.000 0.188 312 E C 1.992 178.559 176.600 -0.055 0.000 1.056 312 E CA 0.145 56.592 56.400 0.078 0.000 0.892 312 E CB 0.098 29.799 29.700 0.002 0.000 1.049 312 E HN 0.365 nan 8.360 nan 0.000 0.465 313 V N 1.706 121.618 119.914 -0.003 0.000 2.250 313 V HA -0.379 3.742 4.120 0.001 0.000 0.250 313 V C 1.854 177.886 176.094 -0.103 0.000 1.060 313 V CA 2.256 64.503 62.300 -0.088 0.000 1.030 313 V CB -0.073 31.769 31.823 0.032 0.000 0.643 313 V HN 0.340 nan 8.190 nan 0.000 0.445 314 E N -0.242 119.922 120.200 -0.059 0.000 2.204 314 E HA -0.160 4.190 4.350 0.001 0.000 0.195 314 E C 2.243 178.789 176.600 -0.091 0.000 0.990 314 E CA 1.497 57.863 56.400 -0.058 0.000 0.821 314 E CB -0.207 29.471 29.700 -0.037 0.000 0.750 314 E HN 0.674 nan 8.360 nan 0.000 0.477 315 S N 0.698 116.323 115.700 -0.125 0.000 2.446 315 S HA 0.035 4.505 4.470 0.001 0.000 0.225 315 S C 1.997 176.465 174.600 -0.220 0.000 1.016 315 S CA 0.355 58.466 58.200 -0.149 0.000 0.943 315 S CB 0.061 63.171 63.200 -0.150 0.000 0.786 315 S HN 0.162 nan 8.310 nan 0.000 0.508 316 L N 0.628 121.663 121.223 -0.313 0.000 2.095 316 L HA 0.026 4.366 4.340 0.001 0.000 0.204 316 L C 2.001 178.694 176.870 -0.295 0.000 1.080 316 L CA 0.503 55.068 54.840 -0.459 0.000 0.759 316 L CB -0.563 40.960 42.059 -0.893 0.000 0.914 316 L HN 0.246 nan 8.230 nan 0.000 0.439 317 L N 0.193 121.334 121.223 -0.137 0.000 2.189 317 L HA -0.139 4.201 4.340 0.001 0.000 0.214 317 L C 1.945 178.786 176.870 -0.049 0.000 1.097 317 L CA 1.546 56.373 54.840 -0.020 0.000 0.764 317 L CB -0.635 41.425 42.059 0.000 0.000 0.900 317 L HN 0.263 nan 8.230 nan 0.000 0.436 318 V N -5.146 114.719 119.914 -0.083 0.000 3.177 318 V HA 0.170 4.290 4.120 0.001 0.000 0.342 318 V C 1.672 177.724 176.094 -0.070 0.000 1.379 318 V CA -0.033 62.232 62.300 -0.058 0.000 1.191 318 V CB -0.463 31.330 31.823 -0.049 0.000 1.167 318 V HN 0.196 nan 8.190 nan 0.000 0.471 319 L N 0.722 121.872 121.223 -0.122 0.000 2.265 319 L HA -0.015 4.325 4.340 0.001 0.000 0.215 319 L C 2.394 179.273 176.870 0.016 0.000 1.117 319 L CA 1.657 56.444 54.840 -0.089 0.000 0.782 319 L CB -0.296 41.652 42.059 -0.185 0.000 0.914 319 L HN 0.495 nan 8.230 nan 0.000 0.441 320 K N -0.800 119.634 120.400 0.055 0.000 2.372 320 K HA 0.093 4.413 4.320 0.001 0.000 0.200 320 K C 0.338 176.945 176.600 0.013 0.000 1.022 320 K CA -0.243 56.078 56.287 0.056 0.000 1.125 320 K CB -0.315 32.243 32.500 0.097 0.000 0.855 320 K HN 0.046 nan 8.250 nan 0.000 0.524 321 N N 3.449 122.149 118.700 0.001 0.000 2.416 321 N HA -0.080 4.660 4.740 0.001 0.000 0.265 321 N C 0.836 176.338 175.510 -0.014 0.000 1.195 321 N CA -0.067 52.979 53.050 -0.006 0.000 0.943 321 N CB 0.562 39.042 38.487 -0.011 0.000 1.115 321 N HN 0.176 nan 8.380 nan 0.000 0.481 322 N N 4.094 122.787 118.700 -0.011 0.000 2.104 322 N HA -0.238 4.502 4.740 0.001 0.000 0.190 322 N C 0.225 175.727 175.510 -0.013 0.000 1.024 322 N CA 1.215 54.257 53.050 -0.014 0.000 0.853 322 N CB -0.334 38.150 38.487 -0.005 0.000 1.008 322 N HN 0.509 nan 8.380 nan 0.000 0.424 323 R N 1.155 121.649 120.500 -0.011 0.000 2.459 323 R HA 0.338 4.678 4.340 0.001 0.000 0.301 323 R C -0.289 176.001 176.300 -0.016 0.000 1.286 323 R CA 0.379 56.472 56.100 -0.012 0.000 1.046 323 R CB -0.656 29.639 30.300 -0.010 0.000 1.071 323 R HN 0.503 nan 8.270 nan 0.000 0.512 324 G N 0.645 109.434 108.800 -0.018 0.000 2.451 324 G HA2 0.079 4.039 3.960 0.001 0.000 0.292 324 G HA3 0.079 4.039 3.960 0.001 0.000 0.292 324 G C -1.428 173.458 174.900 -0.023 0.000 1.427 324 G CA -0.742 44.345 45.100 -0.023 0.000 0.792 324 G HN 0.296 nan 8.290 nan 0.000 0.498 325 V N 0.948 120.846 119.914 -0.027 0.000 2.529 325 V HA 0.216 4.336 4.120 0.001 0.000 0.292 325 V C 1.586 177.663 176.094 -0.028 0.000 1.028 325 V CA 0.495 62.779 62.300 -0.026 0.000 1.074 325 V CB 1.187 32.992 31.823 -0.030 0.000 0.958 325 V HN 0.802 nan 8.190 nan 0.000 0.481 326 E N 4.734 124.920 120.200 -0.023 0.000 2.147 326 E HA -0.186 4.165 4.350 0.001 0.000 0.199 326 E C 1.919 178.504 176.600 -0.025 0.000 1.005 326 E CA 1.808 58.196 56.400 -0.020 0.000 0.810 326 E CB -0.429 29.264 29.700 -0.012 0.000 0.736 326 E HN 0.978 nan 8.360 nan 0.000 0.460 327 G N -0.053 108.728 108.800 -0.032 0.000 2.572 327 G HA2 -0.162 3.799 3.960 0.001 0.000 0.216 327 G HA3 -0.162 3.799 3.960 0.001 0.000 0.216 327 G C 1.113 175.981 174.900 -0.053 0.000 1.133 327 G CA 0.033 45.108 45.100 -0.041 0.000 0.791 327 G HN 0.244 nan 8.290 nan 0.000 0.538 328 N N 0.300 118.968 118.700 -0.053 0.000 2.380 328 N HA 0.205 4.945 4.740 0.001 0.000 0.255 328 N C -0.567 174.906 175.510 -0.062 0.000 1.158 328 N CA -0.286 52.724 53.050 -0.067 0.000 0.878 328 N CB 0.470 38.917 38.487 -0.066 0.000 1.138 328 N HN -0.072 nan 8.380 nan 0.000 0.509 329 R N 0.729 121.203 120.500 -0.044 0.000 2.548 329 R HA 0.337 4.677 4.340 0.001 0.000 0.280 329 R C -1.281 175.019 176.300 -0.000 0.000 1.061 329 R CA -0.563 55.519 56.100 -0.030 0.000 0.915 329 R CB 1.879 32.157 30.300 -0.036 0.000 1.210 329 R HN -0.181 nan 8.270 nan 0.000 0.442 330 V N 4.848 124.791 119.914 0.047 0.000 2.266 330 V HA 0.308 4.428 4.120 0.001 0.000 0.266 330 V C 1.268 177.431 176.094 0.113 0.000 1.036 330 V CA -0.389 61.983 62.300 0.119 0.000 0.828 330 V CB 0.977 32.956 31.823 0.260 0.000 1.081 330 V HN 0.614 nan 8.190 nan 0.000 0.449 331 R N 0.388 120.843 120.500 -0.074 0.000 2.153 331 R HA 0.056 4.397 4.340 0.001 0.000 0.218 331 R C 0.575 176.767 176.300 -0.180 0.000 1.072 331 R CA 0.692 56.691 56.100 -0.168 0.000 0.990 331 R CB 0.128 30.213 30.300 -0.358 0.000 0.889 331 R HN 0.653 nan 8.270 nan 0.000 0.452 332 H N -0.040 119.079 119.070 0.081 0.000 2.595 332 H HA 0.346 4.902 4.556 0.001 0.000 0.264 332 H C -0.207 175.124 175.328 0.006 0.000 1.503 332 H CA 0.250 56.324 56.048 0.044 0.000 1.142 332 H CB -0.152 29.637 29.762 0.045 0.000 1.554 332 H HN 0.053 nan 8.280 nan 0.000 0.501 333 M N 0.895 120.503 119.600 0.013 0.000 2.325 333 M HA 0.142 4.623 4.480 0.001 0.000 0.285 333 M C -1.183 174.822 176.300 -0.492 0.000 1.119 333 M CA -0.710 54.473 55.300 -0.196 0.000 0.959 333 M CB 2.943 35.391 32.600 -0.253 0.000 1.737 333 M HN 0.011 nan 8.290 nan 0.000 0.486 334 D N 1.470 121.601 120.400 -0.448 0.000 2.329 334 D HA 0.461 5.101 4.640 0.001 0.000 0.246 334 D C -1.212 174.517 176.300 -0.952 0.000 1.111 334 D CA 0.454 54.127 54.000 -0.544 0.000 0.941 334 D CB 0.865 41.503 40.800 -0.269 0.000 1.169 334 D HN 0.264 nan 8.370 nan 0.000 0.441 335 Y N -0.999 119.089 120.300 -0.355 0.000 2.549 335 Y HA 0.562 5.113 4.550 0.001 0.000 0.339 335 Y C 0.903 176.495 175.900 -0.512 0.000 1.053 335 Y CA -1.088 56.798 58.100 -0.356 0.000 1.105 335 Y CB 2.160 40.555 38.460 -0.109 0.000 1.258 335 Y HN 0.335 nan 8.280 nan 0.000 0.478 336 G N 1.077 109.563 108.800 -0.525 0.000 2.728 336 G HA2 0.506 4.466 3.960 0.001 0.000 0.296 336 G HA3 0.506 4.466 3.960 0.001 0.000 0.296 336 G C -1.553 173.167 174.900 -0.299 0.000 1.401 336 G CA -0.569 44.311 45.100 -0.367 0.000 1.007 336 G HN 0.445 nan 8.290 nan 0.000 0.527 337 V N 2.636 122.405 119.914 -0.242 0.000 2.508 337 V HA 0.167 4.287 4.120 0.001 0.000 0.281 337 V C 0.279 176.345 176.094 -0.046 0.000 1.041 337 V CA -0.147 61.977 62.300 -0.294 0.000 1.016 337 V CB 0.894 32.622 31.823 -0.158 0.000 0.984 337 V HN 0.723 nan 8.190 nan 0.000 0.478 338 Q N 5.012 124.814 119.800 0.002 0.000 2.303 338 Q HA 0.674 5.015 4.340 0.001 0.000 0.257 338 Q C -0.845 175.228 176.000 0.123 0.000 0.941 338 Q CA -0.131 55.743 55.803 0.118 0.000 0.931 338 Q CB 1.839 30.722 28.738 0.243 0.000 1.215 338 Q HN 0.662 nan 8.270 nan 0.000 0.437 339 I N 1.895 122.483 120.570 0.031 0.000 2.892 339 I HA 0.482 4.652 4.170 0.001 0.000 0.306 339 I C -0.313 175.712 176.117 -0.154 0.000 1.078 339 I CA -1.050 60.218 61.300 -0.055 0.000 1.032 339 I CB 1.920 39.771 38.000 -0.249 0.000 1.229 339 I HN 0.666 nan 8.210 nan 0.000 0.435 340 N N 2.128 120.711 118.700 -0.195 0.000 3.102 340 N HA 0.351 5.092 4.740 0.001 0.000 0.299 340 N C 0.197 175.641 175.510 -0.111 0.000 1.482 340 N CA -0.834 52.094 53.050 -0.203 0.000 0.785 340 N CB 0.764 38.990 38.487 -0.435 0.000 1.680 340 N HN 0.272 nan 8.380 nan 0.000 0.594 341 K N -0.461 119.915 120.400 -0.041 0.000 2.015 341 K HA -0.120 4.200 4.320 0.001 0.000 0.216 341 K C 1.649 178.257 176.600 0.013 0.000 1.052 341 K CA 1.323 57.605 56.287 -0.007 0.000 0.937 341 K CB -0.671 31.875 32.500 0.077 0.000 0.719 341 K HN 0.526 nan 8.250 nan 0.000 0.446 342 L N 1.458 122.695 121.223 0.023 0.000 2.012 342 L HA -0.211 4.129 4.340 0.001 0.000 0.210 342 L C 2.374 179.276 176.870 0.052 0.000 1.073 342 L CA 1.680 56.557 54.840 0.062 0.000 0.748 342 L CB -0.493 41.638 42.059 0.119 0.000 0.891 342 L HN 0.196 nan 8.230 nan 0.000 0.431 343 M N -1.674 117.939 119.600 0.021 0.000 2.073 343 M HA -0.287 4.193 4.480 0.001 0.000 0.258 343 M C 2.436 178.792 176.300 0.093 0.000 1.070 343 M CA 1.973 57.315 55.300 0.070 0.000 1.103 343 M CB -1.554 31.045 32.600 -0.002 0.000 1.321 343 M HN 0.239 nan 8.290 nan 0.000 0.405 344 Y N 0.912 121.234 120.300 0.036 0.000 2.181 344 Y HA -0.160 4.390 4.550 0.001 0.000 0.288 344 Y C 2.832 178.629 175.900 -0.172 0.000 1.146 344 Y CA 1.749 59.744 58.100 -0.174 0.000 1.164 344 Y CB -1.552 36.707 38.460 -0.336 0.000 0.982 344 Y HN 0.302 nan 8.280 nan 0.000 0.515 345 T N 0.303 114.896 114.554 0.064 0.000 2.684 345 T HA -0.198 4.152 4.350 0.001 0.000 0.267 345 T C 2.046 176.765 174.700 0.033 0.000 1.036 345 T CA 1.442 63.561 62.100 0.032 0.000 1.148 345 T CB -0.152 68.742 68.868 0.043 0.000 0.863 345 T HN 0.196 nan 8.240 nan 0.000 0.436 346 R N 0.708 121.248 120.500 0.066 0.000 2.103 346 R HA -0.048 4.292 4.340 0.001 0.000 0.242 346 R C 2.414 178.741 176.300 0.044 0.000 1.142 346 R CA 0.988 57.138 56.100 0.084 0.000 0.960 346 R CB -1.340 29.047 30.300 0.146 0.000 0.858 346 R HN 0.349 nan 8.270 nan 0.000 0.439 347 L N 1.256 122.464 121.223 -0.025 0.000 1.990 347 L HA -0.166 4.175 4.340 0.001 0.000 0.213 347 L C 2.259 179.072 176.870 -0.096 0.000 1.072 347 L CA 1.687 56.439 54.840 -0.147 0.000 0.755 347 L CB -0.657 41.047 42.059 -0.592 0.000 0.889 347 L HN 0.095 nan 8.230 nan 0.000 0.432 348 L N -0.634 120.538 121.223 -0.085 0.000 2.042 348 L HA -0.226 4.114 4.340 0.001 0.000 0.210 348 L C 2.274 179.132 176.870 -0.021 0.000 1.076 348 L CA 1.504 56.312 54.840 -0.053 0.000 0.749 348 L CB -0.602 41.432 42.059 -0.043 0.000 0.893 348 L HN 0.243 nan 8.230 nan 0.000 0.432 349 K N 0.092 120.489 120.400 -0.004 0.000 2.505 349 K HA 0.102 4.422 4.320 0.001 0.000 0.192 349 K C 1.083 177.692 176.600 0.015 0.000 1.025 349 K CA 0.523 56.816 56.287 0.010 0.000 1.086 349 K CB 0.145 32.657 32.500 0.020 0.000 0.840 349 K HN 0.410 nan 8.250 nan 0.000 0.514 350 G N 2.272 111.079 108.800 0.013 0.000 2.203 350 G HA2 -0.301 3.660 3.960 0.001 0.000 0.263 350 G HA3 -0.301 3.660 3.960 0.001 0.000 0.263 350 G C -0.204 174.717 174.900 0.035 0.000 1.012 350 G CA 0.601 45.714 45.100 0.022 0.000 0.749 350 G HN 0.444 nan 8.290 nan 0.000 0.512 351 E N -0.366 119.861 120.200 0.045 0.000 2.561 351 E HA 0.501 4.852 4.350 0.001 0.000 0.254 351 E C -0.474 176.170 176.600 0.073 0.000 1.213 351 E CA -0.967 55.465 56.400 0.055 0.000 0.995 351 E CB 0.613 30.349 29.700 0.059 0.000 1.233 351 E HN 0.150 nan 8.360 nan 0.000 0.556 352 D N 0.172 120.616 120.400 0.073 0.000 2.294 352 D HA 0.358 4.998 4.640 0.001 0.000 0.250 352 D C -0.581 175.794 176.300 0.125 0.000 1.058 352 D CA -0.163 53.884 54.000 0.079 0.000 0.950 352 D CB 0.844 41.669 40.800 0.041 0.000 1.158 352 D HN 0.198 nan 8.370 nan 0.000 0.453 353 I N 1.215 121.864 120.570 0.131 0.000 2.389 353 I HA 0.151 4.322 4.170 0.001 0.000 0.288 353 I C -0.071 176.125 176.117 0.133 0.000 0.999 353 I CA -0.480 60.941 61.300 0.201 0.000 1.129 353 I CB 1.774 39.904 38.000 0.218 0.000 1.288 353 I HN 0.048 nan 8.210 nan 0.000 0.444 354 T N 7.282 121.922 114.554 0.143 0.000 2.780 354 T HA 0.463 4.813 4.350 0.001 0.000 0.294 354 T C 0.172 174.763 174.700 -0.181 0.000 0.949 354 T CA -0.370 61.617 62.100 -0.188 0.000 1.074 354 T CB 0.577 69.110 68.868 -0.558 0.000 0.910 354 T HN 0.268 nan 8.240 nan 0.000 0.501 355 L N 3.382 124.457 121.223 -0.247 0.000 2.399 355 L HA 0.671 5.012 4.340 0.001 0.000 0.266 355 L C -0.699 175.966 176.870 -0.341 0.000 1.114 355 L CA -0.601 54.186 54.840 -0.089 0.000 0.804 355 L CB 0.502 42.552 42.059 -0.016 0.000 1.146 355 L HN 0.543 nan 8.230 nan 0.000 0.451 356 F N -0.497 119.566 119.950 0.189 0.000 2.635 356 F HA 0.193 4.720 4.527 0.001 0.000 0.314 356 F C 0.059 175.902 175.800 0.072 0.000 1.119 356 F CA -0.644 57.405 58.000 0.082 0.000 1.000 356 F CB 1.969 40.978 39.000 0.016 0.000 1.278 356 F HN 0.308 nan 8.300 nan 0.000 0.446 357 S N 3.941 119.731 115.700 0.150 0.000 2.528 357 S HA 0.316 4.787 4.470 0.001 0.000 0.277 357 S C -1.672 172.994 174.600 0.109 0.000 1.297 357 S CA -1.219 56.959 58.200 -0.037 0.000 1.052 357 S CB 1.074 64.237 63.200 -0.061 0.000 0.917 357 S HN 0.367 nan 8.310 nan 0.000 0.492 358 P HA -0.191 nan 4.420 nan 0.000 0.216 358 P C 1.769 179.111 177.300 0.070 0.000 1.154 358 P CA 1.853 65.116 63.100 0.272 0.000 0.865 358 P CB -0.304 31.552 31.700 0.261 0.000 0.789 359 S N -0.702 114.992 115.700 -0.011 0.000 2.402 359 S HA -0.203 4.268 4.470 0.001 0.000 0.233 359 S C 1.463 176.004 174.600 -0.099 0.000 1.030 359 S CA 1.714 59.868 58.200 -0.077 0.000 1.003 359 S CB -1.208 61.920 63.200 -0.120 0.000 0.813 359 S HN 0.149 nan 8.310 nan 0.000 0.477 360 D N 1.193 121.529 120.400 -0.106 0.000 2.350 360 D HA 0.129 4.770 4.640 0.001 0.000 0.213 360 D C 0.454 176.538 176.300 -0.360 0.000 1.031 360 D CA 0.470 54.366 54.000 -0.174 0.000 0.861 360 D CB 0.591 41.323 40.800 -0.114 0.000 0.926 360 D HN 0.561 nan 8.370 nan 0.000 0.520 361 V N -0.695 118.967 119.914 -0.420 0.000 2.276 361 V HA 0.388 4.508 4.120 0.001 0.000 0.268 361 V C -2.897 172.955 176.094 -0.404 0.000 1.032 361 V CA -2.332 59.465 62.300 -0.837 0.000 0.810 361 V CB 1.054 32.298 31.823 -0.965 0.000 1.060 361 V HN -0.280 nan 8.190 nan 0.000 0.446 362 P HA 0.225 nan 4.420 nan 0.000 0.261 362 P C 1.301 178.673 177.300 0.121 0.000 1.183 362 P CA 1.906 64.990 63.100 -0.028 0.000 0.761 362 P CB 0.827 32.521 31.700 -0.011 0.000 0.785 363 G N 2.927 111.806 108.800 0.132 0.000 2.212 363 G HA2 -0.332 3.628 3.960 0.001 0.000 0.266 363 G HA3 -0.332 3.628 3.960 0.001 0.000 0.266 363 G C 0.851 175.886 174.900 0.226 0.000 0.978 363 G CA 0.221 45.425 45.100 0.173 0.000 0.632 363 G HN 0.533 nan 8.290 nan 0.000 0.537 364 L N -0.803 120.556 121.223 0.226 0.000 2.027 364 L HA -0.006 4.335 4.340 0.001 0.000 0.206 364 L C 2.405 179.551 176.870 0.459 0.000 1.074 364 L CA 2.719 57.679 54.840 0.201 0.000 0.745 364 L CB -0.501 41.528 42.059 -0.049 0.000 0.898 364 L HN 0.482 nan 8.230 nan 0.000 0.433 365 Y N 1.102 121.673 120.300 0.453 0.000 2.145 365 Y HA -0.306 4.244 4.550 0.001 0.000 0.286 365 Y C 2.339 178.649 175.900 0.683 0.000 1.145 365 Y CA 2.042 60.556 58.100 0.691 0.000 1.148 365 Y CB -0.183 38.633 38.460 0.593 0.000 0.981 365 Y HN 0.275 nan 8.280 nan 0.000 0.507 366 D N 0.179 120.974 120.400 0.658 0.000 2.106 366 D HA -0.243 4.397 4.640 0.001 0.000 0.191 366 D C 2.310 178.856 176.300 0.410 0.000 0.997 366 D CA 1.747 56.044 54.000 0.495 0.000 0.834 366 D CB -0.787 40.211 40.800 0.331 0.000 0.956 366 D HN 0.481 nan 8.370 nan 0.000 0.448 367 A N 0.458 123.501 122.820 0.372 0.000 1.908 367 A HA -0.213 4.108 4.320 0.001 0.000 0.218 367 A C 2.123 179.901 177.584 0.323 0.000 1.181 367 A CA 1.244 53.476 52.037 0.325 0.000 0.627 367 A CB -1.111 18.081 19.000 0.320 0.000 0.818 367 A HN 0.239 nan 8.150 nan 0.000 0.445 368 F N -0.084 119.969 119.950 0.172 0.000 2.111 368 F HA -0.256 4.271 4.527 0.001 0.000 0.300 368 F C 1.746 177.201 175.800 -0.576 0.000 1.088 368 F CA 1.956 59.716 58.000 -0.400 0.000 1.243 368 F CB -0.503 38.262 39.000 -0.391 0.000 0.996 368 F HN 0.255 nan 8.300 nan 0.000 0.483 369 F N -1.045 118.820 119.950 -0.142 0.000 2.374 369 F HA 0.234 4.762 4.527 0.001 0.000 0.291 369 F C 2.357 178.090 175.800 -0.112 0.000 1.084 369 F CA 0.803 58.665 58.000 -0.230 0.000 1.413 369 F CB -1.144 37.760 39.000 -0.161 0.000 1.099 369 F HN -0.036 nan 8.300 nan 0.000 0.534 370 A N -1.632 121.284 122.820 0.160 0.000 1.956 370 A HA 0.069 4.390 4.320 0.001 0.000 0.212 370 A C 0.007 177.637 177.584 0.076 0.000 1.188 370 A CA 0.886 52.989 52.037 0.111 0.000 0.675 370 A CB -0.021 19.055 19.000 0.126 0.000 0.845 370 A HN 0.197 nan 8.150 nan 0.000 0.455 371 D N -1.270 119.183 120.400 0.089 0.000 2.602 371 D HA 0.296 4.936 4.640 0.001 0.000 0.245 371 D C 0.374 176.735 176.300 0.101 0.000 1.325 371 D CA -0.387 53.660 54.000 0.079 0.000 0.952 371 D CB 1.147 41.998 40.800 0.086 0.000 1.317 371 D HN -0.043 nan 8.370 nan 0.000 0.577 372 Q N 2.007 121.849 119.800 0.070 0.000 2.172 372 Q HA -0.068 4.273 4.340 0.001 0.000 0.200 372 Q C 1.214 177.297 176.000 0.139 0.000 0.964 372 Q CA 0.932 56.793 55.803 0.097 0.000 0.855 372 Q CB 0.281 29.045 28.738 0.043 0.000 0.918 372 Q HN 0.639 nan 8.270 nan 0.000 0.444 373 E N 0.973 121.226 120.200 0.089 0.000 2.023 373 E HA -0.228 4.123 4.350 0.001 0.000 0.196 373 E C 1.929 178.568 176.600 0.065 0.000 1.003 373 E CA 1.335 57.775 56.400 0.066 0.000 0.809 373 E CB -0.055 29.670 29.700 0.041 0.000 0.755 373 E HN 0.328 nan 8.360 nan 0.000 0.449 374 E N 0.643 120.886 120.200 0.073 0.000 2.058 374 E HA -0.182 4.168 4.350 0.001 0.000 0.194 374 E C 1.909 178.544 176.600 0.059 0.000 0.997 374 E CA 0.938 57.368 56.400 0.051 0.000 0.801 374 E CB -0.534 29.206 29.700 0.067 0.000 0.746 374 E HN 0.218 nan 8.360 nan 0.000 0.450 375 F N 1.297 121.252 119.950 0.009 0.000 2.091 375 F HA -0.214 4.314 4.527 0.001 0.000 0.299 375 F C 2.267 178.063 175.800 -0.008 0.000 1.103 375 F CA 2.314 60.320 58.000 0.010 0.000 1.228 375 F CB -0.398 38.628 39.000 0.042 0.000 0.984 375 F HN 0.138 nan 8.300 nan 0.000 0.477 376 E N 0.152 120.407 120.200 0.091 0.000 2.049 376 E HA -0.305 4.046 4.350 0.001 0.000 0.198 376 E C 2.526 179.064 176.600 -0.104 0.000 1.007 376 E CA 1.803 58.204 56.400 0.001 0.000 0.809 376 E CB -0.345 29.396 29.700 0.069 0.000 0.749 376 E HN 0.388 nan 8.360 nan 0.000 0.450 377 R N 0.061 120.499 120.500 -0.103 0.000 2.082 377 R HA -0.185 4.155 4.340 0.001 0.000 0.234 377 R C 2.486 178.606 176.300 -0.299 0.000 1.136 377 R CA 1.858 57.866 56.100 -0.154 0.000 0.935 377 R CB -0.409 29.823 30.300 -0.113 0.000 0.842 377 R HN 0.234 nan 8.270 nan 0.000 0.430 378 L N -0.600 120.391 121.223 -0.385 0.000 2.083 378 L HA -0.194 4.146 4.340 0.001 0.000 0.209 378 L C 2.438 178.829 176.870 -0.798 0.000 1.083 378 L CA 1.270 55.675 54.840 -0.725 0.000 0.752 378 L CB -0.680 41.053 42.059 -0.544 0.000 0.899 378 L HN 0.236 nan 8.230 nan 0.000 0.433 379 Y N 1.285 121.136 120.300 -0.749 0.000 2.097 379 Y HA -0.324 4.227 4.550 0.001 0.000 0.282 379 Y C 2.944 178.646 175.900 -0.330 0.000 1.152 379 Y CA 2.186 59.909 58.100 -0.629 0.000 1.136 379 Y CB -0.604 37.399 38.460 -0.762 0.000 0.975 379 Y HN 0.308 nan 8.280 nan 0.000 0.498 380 T N -1.529 112.919 114.554 -0.176 0.000 2.777 380 T HA -0.211 4.139 4.350 0.001 0.000 0.266 380 T C 1.898 176.478 174.700 -0.200 0.000 1.040 380 T CA 1.502 63.516 62.100 -0.143 0.000 1.141 380 T CB -0.495 68.330 68.868 -0.072 0.000 0.868 380 T HN 0.266 nan 8.240 nan 0.000 0.444 381 K N 0.498 120.717 120.400 -0.301 0.000 2.015 381 K HA -0.218 4.102 4.320 0.001 0.000 0.216 381 K C 2.082 178.543 176.600 -0.233 0.000 1.052 381 K CA 1.818 57.912 56.287 -0.321 0.000 0.937 381 K CB -0.546 31.657 32.500 -0.495 0.000 0.719 381 K HN 0.358 nan 8.250 nan 0.000 0.446 382 Y N 1.397 121.542 120.300 -0.259 0.000 2.421 382 Y HA -0.082 4.469 4.550 0.001 0.000 0.292 382 Y C 2.061 177.923 175.900 -0.065 0.000 1.136 382 Y CA 0.968 58.897 58.100 -0.285 0.000 1.255 382 Y CB -0.480 37.553 38.460 -0.712 0.000 0.991 382 Y HN 0.311 nan 8.280 nan 0.000 0.552 383 E N 0.128 120.359 120.200 0.052 0.000 2.051 383 E HA -0.216 4.134 4.350 0.001 0.000 0.192 383 E C 1.986 178.598 176.600 0.019 0.000 0.991 383 E CA 1.350 57.775 56.400 0.042 0.000 0.799 383 E CB -0.008 29.621 29.700 -0.118 0.000 0.748 383 E HN 0.245 nan 8.360 nan 0.000 0.449 384 K N 1.097 121.492 120.400 -0.009 0.000 2.025 384 K HA -0.086 4.235 4.320 0.001 0.000 0.207 384 K C 0.572 177.178 176.600 0.011 0.000 1.049 384 K CA 0.618 56.900 56.287 -0.009 0.000 0.933 384 K CB -0.247 32.237 32.500 -0.026 0.000 0.714 384 K HN 0.002 nan 8.250 nan 0.000 0.438 385 D N 1.455 121.874 120.400 0.033 0.000 2.479 385 D HA -0.082 4.558 4.640 0.001 0.000 0.257 385 D C -0.498 175.824 176.300 0.036 0.000 1.230 385 D CA 0.215 54.238 54.000 0.039 0.000 0.912 385 D CB 0.447 41.291 40.800 0.073 0.000 1.130 385 D HN 0.183 nan 8.370 nan 0.000 0.515 386 D N 1.138 121.548 120.400 0.016 0.000 2.349 386 D HA -0.061 4.579 4.640 0.001 0.000 0.224 386 D C 1.624 177.927 176.300 0.006 0.000 1.029 386 D CA 0.133 54.139 54.000 0.009 0.000 0.879 386 D CB 0.207 41.007 40.800 -0.001 0.000 0.906 386 D HN 0.195 nan 8.370 nan 0.000 0.528 387 S N 0.527 116.230 115.700 0.004 0.000 2.402 387 S HA -0.015 4.456 4.470 0.001 0.000 0.229 387 S C 1.058 175.652 174.600 -0.010 0.000 1.021 387 S CA 0.271 58.467 58.200 -0.007 0.000 0.974 387 S CB -0.190 63.002 63.200 -0.015 0.000 0.800 387 S HN 0.298 nan 8.310 nan 0.000 0.484 388 I N 2.822 123.393 120.570 0.001 0.000 2.452 388 I HA 0.128 4.299 4.170 0.001 0.000 0.287 388 I C 0.680 176.829 176.117 0.054 0.000 1.079 388 I CA -0.412 60.895 61.300 0.010 0.000 1.387 388 I CB 0.316 38.318 38.000 0.003 0.000 1.404 388 I HN 0.081 nan 8.210 nan 0.000 0.522 389 R N 7.995 128.513 120.500 0.031 0.000 2.537 389 R HA 0.071 4.411 4.340 0.001 0.000 0.281 389 R C -0.498 175.826 176.300 0.041 0.000 0.988 389 R CA 0.672 56.785 56.100 0.022 0.000 1.077 389 R CB 0.391 30.696 30.300 0.009 0.000 0.932 389 R HN 0.768 nan 8.270 nan 0.000 0.409 390 K N 2.224 122.591 120.400 -0.055 0.000 2.615 390 K HA 0.279 4.599 4.320 0.001 0.000 0.291 390 K C -1.644 174.835 176.600 -0.202 0.000 1.017 390 K CA -1.115 55.036 56.287 -0.226 0.000 0.882 390 K CB 1.493 33.741 32.500 -0.421 0.000 1.522 390 K HN 0.525 nan 8.250 nan 0.000 0.412 391 Q N 0.720 120.361 119.800 -0.265 0.000 2.379 391 Q HA 0.374 4.715 4.340 0.001 0.000 0.278 391 Q C -1.285 174.607 176.000 -0.180 0.000 1.068 391 Q CA -1.016 54.687 55.803 -0.166 0.000 0.816 391 Q CB 2.274 30.951 28.738 -0.102 0.000 1.387 391 Q HN 0.506 nan 8.270 nan 0.000 0.413 392 R N 0.995 121.427 120.500 -0.113 0.000 2.474 392 R HA 0.635 4.976 4.340 0.001 0.000 0.295 392 R C -0.606 175.674 176.300 -0.034 0.000 0.980 392 R CA -0.449 55.604 56.100 -0.079 0.000 0.934 392 R CB 1.498 31.764 30.300 -0.058 0.000 1.101 392 R HN 0.484 nan 8.270 nan 0.000 0.469 393 V N -0.987 118.925 119.914 -0.002 0.000 2.971 393 V HA 0.466 4.586 4.120 0.001 0.000 0.309 393 V C -0.187 175.935 176.094 0.046 0.000 1.130 393 V CA -1.374 60.937 62.300 0.020 0.000 0.964 393 V CB 2.291 34.131 31.823 0.028 0.000 1.029 393 V HN 0.532 nan 8.190 nan 0.000 0.427 394 K N 1.614 122.043 120.400 0.048 0.000 2.383 394 K HA 0.506 4.827 4.320 0.001 0.000 0.286 394 K C 1.432 178.095 176.600 0.105 0.000 1.051 394 K CA 0.496 56.822 56.287 0.065 0.000 0.974 394 K CB 1.354 33.885 32.500 0.051 0.000 0.968 394 K HN 0.962 nan 8.250 nan 0.000 0.475 395 A N 3.806 126.708 122.820 0.137 0.000 1.940 395 A HA -0.221 4.099 4.320 0.001 0.000 0.221 395 A C 1.903 179.654 177.584 0.279 0.000 1.190 395 A CA 2.271 54.448 52.037 0.233 0.000 0.647 395 A CB -0.706 18.427 19.000 0.222 0.000 0.821 395 A HN 0.593 nan 8.150 nan 0.000 0.457 396 V N -0.280 119.733 119.914 0.166 0.000 2.332 396 V HA -0.323 3.797 4.120 0.001 0.000 0.248 396 V C 2.260 178.447 176.094 0.154 0.000 1.055 396 V CA 2.388 64.775 62.300 0.145 0.000 1.038 396 V CB -1.215 30.655 31.823 0.078 0.000 0.651 396 V HN 0.668 nan 8.190 nan 0.000 0.450 397 E N 0.147 120.416 120.200 0.114 0.000 2.072 397 E HA -0.199 4.151 4.350 0.001 0.000 0.191 397 E C 2.141 178.793 176.600 0.087 0.000 0.985 397 E CA 1.315 57.764 56.400 0.083 0.000 0.801 397 E CB -0.254 29.479 29.700 0.054 0.000 0.750 397 E HN 0.447 nan 8.360 nan 0.000 0.452 398 L N 0.133 121.415 121.223 0.100 0.000 2.027 398 L HA -0.132 4.208 4.340 0.001 0.000 0.206 398 L C 1.996 178.864 176.870 -0.003 0.000 1.074 398 L CA 1.600 56.461 54.840 0.034 0.000 0.745 398 L CB -0.391 41.675 42.059 0.012 0.000 0.898 398 L HN 0.014 nan 8.230 nan 0.000 0.433 399 F N -0.410 119.564 119.950 0.041 0.000 2.102 399 F HA -0.225 4.302 4.527 0.001 0.000 0.298 399 F C 2.622 178.449 175.800 0.045 0.000 1.105 399 F CA 1.784 59.813 58.000 0.048 0.000 1.239 399 F CB -0.812 38.224 39.000 0.060 0.000 0.991 399 F HN 0.076 nan 8.300 nan 0.000 0.474 400 S N 0.296 116.122 115.700 0.209 0.000 2.368 400 S HA -0.192 4.278 4.470 0.001 0.000 0.225 400 S C 1.932 176.573 174.600 0.068 0.000 1.030 400 S CA 1.140 59.411 58.200 0.119 0.000 0.999 400 S CB -0.765 62.485 63.200 0.083 0.000 0.844 400 S HN 0.272 nan 8.310 nan 0.000 0.459 401 L N 2.083 123.337 121.223 0.051 0.000 1.989 401 L HA -0.058 4.282 4.340 0.001 0.000 0.211 401 L C 2.343 179.223 176.870 0.017 0.000 1.071 401 L CA 2.013 56.866 54.840 0.022 0.000 0.749 401 L CB -0.712 41.352 42.059 0.008 0.000 0.890 401 L HN 0.389 nan 8.230 nan 0.000 0.431 402 M N -1.755 117.848 119.600 0.005 0.000 2.117 402 M HA -0.244 4.236 4.480 0.001 0.000 0.262 402 M C 2.025 178.349 176.300 0.040 0.000 1.065 402 M CA 1.904 57.206 55.300 0.003 0.000 1.114 402 M CB -0.070 32.495 32.600 -0.057 0.000 1.361 402 M HN 0.307 nan 8.290 nan 0.000 0.408 403 M N 0.113 119.755 119.600 0.070 0.000 2.229 403 M HA -0.177 4.303 4.480 0.001 0.000 0.264 403 M C 2.054 178.377 176.300 0.039 0.000 1.063 403 M CA 1.645 56.993 55.300 0.080 0.000 1.114 403 M CB -1.489 31.177 32.600 0.109 0.000 1.387 403 M HN 0.486 nan 8.290 nan 0.000 0.420 404 Q N 0.280 120.096 119.800 0.026 0.000 2.002 404 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 404 Q C 1.922 177.928 176.000 0.010 0.000 0.988 404 Q CA 1.496 57.303 55.803 0.006 0.000 0.843 404 Q CB 0.146 28.888 28.738 0.006 0.000 0.908 404 Q HN 0.369 nan 8.270 nan 0.000 0.420 405 E N 0.157 120.367 120.200 0.016 0.000 2.110 405 E HA -0.213 4.137 4.350 0.001 0.000 0.193 405 E C 1.901 178.519 176.600 0.029 0.000 0.988 405 E CA 0.888 57.300 56.400 0.019 0.000 0.804 405 E CB -0.276 29.434 29.700 0.017 0.000 0.745 405 E HN 0.327 nan 8.360 nan 0.000 0.458 406 R N 0.788 121.313 120.500 0.041 0.000 2.073 406 R HA -0.124 4.216 4.340 0.001 0.000 0.234 406 R C 2.261 178.603 176.300 0.070 0.000 1.134 406 R CA 1.466 57.604 56.100 0.064 0.000 0.952 406 R CB -0.221 30.139 30.300 0.101 0.000 0.850 406 R HN 0.125 nan 8.270 nan 0.000 0.433 407 A N 0.702 123.551 122.820 0.047 0.000 1.873 407 A HA -0.224 4.096 4.320 0.001 0.000 0.218 407 A C 2.249 179.851 177.584 0.029 0.000 1.193 407 A CA 2.384 54.437 52.037 0.027 0.000 0.629 407 A CB -0.831 18.152 19.000 -0.027 0.000 0.826 407 A HN 0.613 nan 8.150 nan 0.000 0.447 408 S N -0.542 115.168 115.700 0.017 0.000 2.355 408 S HA -0.160 4.310 4.470 0.001 0.000 0.222 408 S C 2.053 176.669 174.600 0.025 0.000 1.031 408 S CA 1.963 60.172 58.200 0.014 0.000 0.993 408 S CB -1.128 62.077 63.200 0.008 0.000 0.859 408 S HN 0.888 nan 8.310 nan 0.000 0.453 409 T N -1.717 112.856 114.554 0.032 0.000 3.044 409 T HA 0.404 4.754 4.350 0.001 0.000 0.255 409 T C 1.744 176.478 174.700 0.057 0.000 1.073 409 T CA 1.186 63.308 62.100 0.037 0.000 1.125 409 T CB -0.437 68.450 68.868 0.033 0.000 0.908 409 T HN 0.996 nan 8.240 nan 0.000 0.480 410 G N 1.995 110.842 108.800 0.077 0.000 2.179 410 G HA2 -0.228 3.733 3.960 0.001 0.000 0.260 410 G HA3 -0.228 3.733 3.960 0.001 0.000 0.260 410 G C 0.725 175.743 174.900 0.198 0.000 0.977 410 G CA 0.217 45.401 45.100 0.141 0.000 0.641 410 G HN 0.595 nan 8.290 nan 0.000 0.533 411 R N -0.156 120.367 120.500 0.040 0.000 2.700 411 R HA 0.398 4.739 4.340 0.001 0.000 0.399 411 R C 0.014 175.967 176.300 -0.579 0.000 1.115 411 R CA -0.298 55.675 56.100 -0.212 0.000 1.058 411 R CB 0.365 30.602 30.300 -0.105 0.000 1.389 411 R HN 0.356 nan 8.270 nan 0.000 0.582 412 I N 2.431 122.812 120.570 -0.315 0.000 2.371 412 I HA 0.265 4.435 4.170 0.001 0.000 0.282 412 I C -0.334 175.707 176.117 -0.126 0.000 1.031 412 I CA -1.419 59.733 61.300 -0.248 0.000 1.180 412 I CB 0.074 38.052 38.000 -0.037 0.000 1.336 412 I HN -0.043 nan 8.210 nan 0.000 0.467 413 Y N 5.663 125.993 120.300 0.050 0.000 2.374 413 Y HA 0.518 5.068 4.550 0.001 0.000 0.322 413 Y C 0.570 176.520 175.900 0.084 0.000 1.275 413 Y CA -1.174 56.979 58.100 0.088 0.000 1.307 413 Y CB 0.770 39.294 38.460 0.107 0.000 1.282 413 Y HN 0.226 nan 8.280 nan 0.000 0.509 414 I N 1.301 122.070 120.570 0.331 0.000 2.648 414 I HA 0.367 4.537 4.170 0.001 0.000 0.304 414 I C -0.412 175.863 176.117 0.264 0.000 1.009 414 I CA -1.495 59.956 61.300 0.251 0.000 1.114 414 I CB 1.482 39.649 38.000 0.279 0.000 1.293 414 I HN 0.665 nan 8.210 nan 0.000 0.449 415 Q N 4.304 124.240 119.800 0.226 0.000 2.269 415 Q HA 0.371 4.711 4.340 0.001 0.000 0.263 415 Q C -1.530 174.558 176.000 0.147 0.000 0.983 415 Q CA -0.610 55.313 55.803 0.201 0.000 0.777 415 Q CB 1.473 30.337 28.738 0.211 0.000 1.273 415 Q HN 0.512 nan 8.270 nan 0.000 0.440 416 N N 4.070 122.867 118.700 0.160 0.000 2.415 416 N HA 0.059 4.799 4.740 0.001 0.000 0.250 416 N C 1.058 176.559 175.510 -0.015 0.000 1.127 416 N CA 0.141 53.259 53.050 0.114 0.000 0.945 416 N CB 1.598 40.189 38.487 0.173 0.000 1.196 416 N HN 0.591 nan 8.380 nan 0.000 0.499 417 V N -0.099 119.722 119.914 -0.155 0.000 2.548 417 V HA -0.155 3.965 4.120 0.001 0.000 0.249 417 V C 1.612 177.590 176.094 -0.194 0.000 1.055 417 V CA 1.278 63.452 62.300 -0.210 0.000 1.065 417 V CB -0.392 31.130 31.823 -0.501 0.000 0.681 417 V HN 0.401 nan 8.190 nan 0.000 0.462 418 D N 0.183 120.436 120.400 -0.246 0.000 2.097 418 D HA -0.254 4.386 4.640 0.001 0.000 0.195 418 D C 1.953 178.267 176.300 0.023 0.000 0.989 418 D CA 2.129 56.051 54.000 -0.130 0.000 0.827 418 D CB -0.899 39.838 40.800 -0.105 0.000 0.966 418 D HN 0.508 nan 8.370 nan 0.000 0.456 419 H N 0.305 119.380 119.070 0.007 0.000 2.319 419 H HA -0.033 4.524 4.556 0.001 0.000 0.299 419 H C 2.484 177.827 175.328 0.026 0.000 1.092 419 H CA 0.889 56.932 56.048 -0.008 0.000 1.302 419 H CB -1.104 28.631 29.762 -0.045 0.000 1.373 419 H HN 0.283 nan 8.280 nan 0.000 0.497 420 C N 0.864 120.246 119.300 0.137 0.000 2.403 420 C HA -0.117 4.343 4.460 0.001 0.000 0.282 420 C C 2.404 177.436 174.990 0.069 0.000 1.297 420 C CA 1.023 60.089 59.018 0.080 0.000 1.785 420 C CB -0.584 27.185 27.740 0.049 0.000 1.963 420 C HN 0.608 nan 8.230 nan 0.000 0.507 421 N N -0.597 118.143 118.700 0.067 0.000 2.510 421 N HA -0.046 4.694 4.740 0.001 0.000 0.186 421 N C 1.900 177.446 175.510 0.059 0.000 1.051 421 N CA 1.549 54.636 53.050 0.062 0.000 0.877 421 N CB -0.387 38.132 38.487 0.054 0.000 1.183 421 N HN 0.651 nan 8.380 nan 0.000 0.443 422 T N -1.811 112.786 114.554 0.071 0.000 2.951 422 T HA -0.106 4.245 4.350 0.001 0.000 0.268 422 T C 0.875 175.625 174.700 0.084 0.000 1.073 422 T CA 1.121 63.257 62.100 0.060 0.000 1.134 422 T CB -0.244 68.659 68.868 0.059 0.000 0.884 422 T HN 0.110 nan 8.240 nan 0.000 0.479 423 H N 1.183 120.237 119.070 -0.025 0.000 2.317 423 H HA 0.641 5.198 4.556 0.001 0.000 0.231 423 H C -0.540 174.767 175.328 -0.034 0.000 1.442 423 H CA -0.789 55.224 56.048 -0.059 0.000 1.336 423 H CB -0.021 29.689 29.762 -0.086 0.000 1.533 423 H HN 0.377 nan 8.280 nan 0.000 0.522 424 S N 1.786 117.412 115.700 -0.123 0.000 2.627 424 S HA 0.435 4.905 4.470 0.001 0.000 0.283 424 S C -2.282 172.201 174.600 -0.196 0.000 1.127 424 S CA -1.441 56.682 58.200 -0.128 0.000 0.863 424 S CB 1.978 65.211 63.200 0.053 0.000 1.121 424 S HN 0.185 nan 8.310 nan 0.000 0.479 425 P HA 0.198 nan 4.420 nan 0.000 0.229 425 P C -0.242 176.733 177.300 -0.543 0.000 1.160 425 P CA 0.596 63.412 63.100 -0.474 0.000 0.777 425 P CB -0.175 31.277 31.700 -0.413 0.000 0.814 426 F N 0.157 120.072 119.950 -0.058 0.000 2.440 426 F HA 0.333 4.860 4.527 0.000 0.000 0.328 426 F C 1.033 176.801 175.800 -0.053 0.000 1.070 426 F CA -1.071 56.905 58.000 -0.040 0.000 1.011 426 F CB 0.383 39.374 39.000 -0.014 0.000 1.226 426 F HN -0.315 nan 8.300 nan 0.000 0.491 427 D N 2.957 123.459 120.400 0.170 0.000 2.325 427 D HA 0.170 4.811 4.640 0.001 0.000 0.251 427 D C -1.791 174.560 176.300 0.084 0.000 1.196 427 D CA -1.988 52.060 54.000 0.079 0.000 0.866 427 D CB 1.538 42.363 40.800 0.042 0.000 1.101 427 D HN 0.100 nan 8.370 nan 0.000 0.476 428 P HA -0.079 nan 4.420 nan 0.000 0.218 428 P C 0.854 178.182 177.300 0.047 0.000 1.149 428 P CA 0.874 64.008 63.100 0.057 0.000 0.817 428 P CB 0.219 31.954 31.700 0.058 0.000 0.785 429 A N -0.870 121.973 122.820 0.039 0.000 2.066 429 A HA -0.065 4.255 4.320 0.001 0.000 0.218 429 A C 1.972 179.566 177.584 0.016 0.000 1.157 429 A CA 1.211 53.267 52.037 0.032 0.000 0.670 429 A CB -1.146 17.869 19.000 0.026 0.000 0.804 429 A HN 0.245 nan 8.150 nan 0.000 0.453 430 I N -3.659 116.916 120.570 0.009 0.000 4.032 430 I HA 0.381 4.552 4.170 0.001 0.000 0.313 430 I C 0.968 177.062 176.117 -0.039 0.000 1.272 430 I CA 0.677 61.966 61.300 -0.018 0.000 1.307 430 I CB 0.486 38.473 38.000 -0.022 0.000 1.155 430 I HN 0.144 nan 8.210 nan 0.000 0.431 431 A N 2.825 125.633 122.820 -0.020 0.000 3.307 431 A HA 0.501 4.821 4.320 0.001 0.000 0.289 431 A C -2.808 174.694 177.584 -0.135 0.000 1.138 431 A CA -0.888 51.092 52.037 -0.096 0.000 0.860 431 A CB -0.178 18.771 19.000 -0.084 0.000 1.318 431 A HN -0.079 nan 8.150 nan 0.000 0.551 432 P HA 0.286 nan 4.420 nan 0.000 0.274 432 P C -0.185 177.011 177.300 -0.174 0.000 1.237 432 P CA 0.015 63.068 63.100 -0.080 0.000 0.793 432 P CB 1.409 33.091 31.700 -0.031 0.000 0.977 433 V N 4.245 124.087 119.914 -0.119 0.000 2.348 433 V HA 0.264 4.385 4.120 0.001 0.000 0.270 433 V C 1.409 177.371 176.094 -0.220 0.000 1.037 433 V CA -0.049 62.149 62.300 -0.170 0.000 0.872 433 V CB 0.374 32.146 31.823 -0.085 0.000 1.002 433 V HN 0.517 nan 8.190 nan 0.000 0.464 434 R N 4.341 124.605 120.500 -0.393 0.000 2.629 434 R HA 0.309 4.649 4.340 0.001 0.000 0.386 434 R C 0.083 176.117 176.300 -0.442 0.000 1.071 434 R CA -0.117 55.542 56.100 -0.736 0.000 1.104 434 R CB 0.749 30.371 30.300 -1.130 0.000 1.370 434 R HN 0.897 nan 8.270 nan 0.000 0.574 435 Q N -1.700 117.863 119.800 -0.395 0.000 3.052 435 Q HA 0.271 4.611 4.340 0.001 0.000 0.309 435 Q C -1.758 173.787 176.000 -0.759 0.000 0.876 435 Q CA -0.655 54.730 55.803 -0.696 0.000 0.796 435 Q CB 1.180 29.561 28.738 -0.594 0.000 1.564 435 Q HN -0.026 nan 8.270 nan 0.000 0.469 436 S N -0.091 114.823 115.700 -1.310 0.000 2.837 436 S HA 0.637 5.107 4.470 0.001 0.000 0.314 436 S C -0.897 173.514 174.600 -0.315 0.000 1.098 436 S CA -0.098 57.766 58.200 -0.561 0.000 0.903 436 S CB 1.074 64.134 63.200 -0.233 0.000 1.310 436 S HN 0.811 nan 8.310 nan 0.000 0.581 437 N N 0.448 119.113 118.700 -0.058 0.000 2.776 437 N HA 0.210 4.951 4.740 0.001 0.000 0.319 437 N C 1.025 176.612 175.510 0.128 0.000 1.316 437 N CA -0.612 52.453 53.050 0.024 0.000 0.890 437 N CB -0.531 37.928 38.487 -0.047 0.000 1.165 437 N HN 0.481 nan 8.380 nan 0.000 0.596 438 L N 0.417 121.674 121.223 0.058 0.000 1.990 438 L HA -0.089 4.251 4.340 0.001 0.000 0.213 438 L C 1.406 178.247 176.870 -0.048 0.000 1.072 438 L CA 1.833 56.704 54.840 0.052 0.000 0.755 438 L CB -0.647 41.432 42.059 0.033 0.000 0.889 438 L HN 0.723 nan 8.230 nan 0.000 0.432 439 C N 0.570 119.727 119.300 -0.238 0.000 2.435 439 C HA 0.355 4.816 4.460 0.001 0.000 0.326 439 C C 1.089 175.491 174.990 -0.981 0.000 1.328 439 C CA -1.048 57.512 59.018 -0.763 0.000 1.741 439 C CB -1.419 25.991 27.740 -0.549 0.000 1.998 439 C HN 0.545 nan 8.230 nan 0.000 0.585 440 L N 1.914 122.842 121.223 -0.492 0.000 3.839 440 L HA -0.262 4.078 4.340 0.001 0.000 0.416 440 L C 2.003 178.736 176.870 -0.229 0.000 1.195 440 L CA 1.518 56.192 54.840 -0.276 0.000 0.946 440 L CB -1.714 40.154 42.059 -0.319 0.000 1.891 440 L HN 0.730 nan 8.230 nan 0.000 0.963 441 Q N -1.082 118.588 119.800 -0.218 0.000 2.396 441 Q HA 0.080 4.420 4.340 0.001 0.000 0.220 441 Q C 0.961 176.911 176.000 -0.084 0.000 0.900 441 Q CA 0.117 55.837 55.803 -0.138 0.000 0.925 441 Q CB 0.702 29.356 28.738 -0.141 0.000 1.065 441 Q HN 0.472 nan 8.270 nan 0.000 0.535 442 I N 2.288 122.806 120.570 -0.087 0.000 2.472 442 I HA 0.412 4.583 4.170 0.001 0.000 0.290 442 I C -0.229 175.845 176.117 -0.072 0.000 1.016 442 I CA -0.368 60.895 61.300 -0.062 0.000 1.348 442 I CB 1.207 39.168 38.000 -0.065 0.000 1.417 442 I HN 0.237 nan 8.210 nan 0.000 0.521 443 A N 8.205 131.005 122.820 -0.034 0.000 2.679 443 A HA 0.759 5.080 4.320 0.001 0.000 0.288 443 A C -0.923 176.656 177.584 -0.009 0.000 1.160 443 A CA -0.403 51.607 52.037 -0.046 0.000 0.763 443 A CB 0.703 19.692 19.000 -0.019 0.000 1.270 443 A HN 0.608 nan 8.150 nan 0.000 0.417 444 L N 1.612 122.773 121.223 -0.103 0.000 2.415 444 L HA 0.574 4.915 4.340 0.001 0.000 0.256 444 L C -2.713 173.968 176.870 -0.315 0.000 1.010 444 L CA -2.487 52.240 54.840 -0.188 0.000 0.826 444 L CB 2.788 44.796 42.059 -0.085 0.000 1.405 444 L HN 0.320 nan 8.230 nan 0.000 0.410 445 P HA 0.226 nan 4.420 nan 0.000 0.271 445 P C -1.078 176.099 177.300 -0.205 0.000 1.216 445 P CA -0.139 62.726 63.100 -0.392 0.000 0.776 445 P CB 0.804 32.211 31.700 -0.489 0.000 0.881 446 T N -0.625 113.833 114.554 -0.161 0.000 2.956 446 T HA 0.632 4.983 4.350 0.001 0.000 0.312 446 T C -0.930 173.726 174.700 -0.072 0.000 1.151 446 T CA -1.076 60.966 62.100 -0.097 0.000 1.024 446 T CB 1.641 70.443 68.868 -0.110 0.000 1.140 446 T HN 0.120 nan 8.240 nan 0.000 0.473 447 K N 2.041 122.421 120.400 -0.033 0.000 2.378 447 K HA 0.620 4.940 4.320 0.001 0.000 0.252 447 K C -2.903 173.692 176.600 -0.008 0.000 0.931 447 K CA -2.432 53.841 56.287 -0.023 0.000 0.794 447 K CB 2.099 34.590 32.500 -0.015 0.000 1.181 447 K HN 0.352 nan 8.250 nan 0.000 0.425 448 P HA 0.019 nan 4.420 nan 0.000 0.268 448 P C -0.877 176.432 177.300 0.015 0.000 1.205 448 P CA -0.337 62.764 63.100 0.003 0.000 0.771 448 P CB 0.464 32.167 31.700 0.004 0.000 0.858 449 L N 3.420 124.657 121.223 0.025 0.000 2.379 449 L HA 0.299 4.639 4.340 0.001 0.000 0.269 449 L C 1.600 178.492 176.870 0.036 0.000 1.084 449 L CA 0.453 55.313 54.840 0.034 0.000 0.802 449 L CB 0.188 42.272 42.059 0.042 0.000 1.175 449 L HN 0.285 nan 8.230 nan 0.000 0.448 450 N N 0.420 119.141 118.700 0.035 0.000 2.250 450 N HA 0.083 4.823 4.740 0.001 0.000 0.190 450 N C -0.779 174.755 175.510 0.040 0.000 1.116 450 N CA 0.236 53.308 53.050 0.035 0.000 0.881 450 N CB 0.551 39.055 38.487 0.029 0.000 1.006 450 N HN 0.762 nan 8.380 nan 0.000 0.491 451 D N -2.280 118.144 120.400 0.041 0.000 2.648 451 D HA 0.051 4.691 4.640 0.001 0.000 0.244 451 D C 0.507 176.833 176.300 0.043 0.000 1.244 451 D CA -0.553 53.472 54.000 0.042 0.000 0.772 451 D CB 0.987 41.808 40.800 0.035 0.000 1.379 451 D HN -0.263 nan 8.370 nan 0.000 0.428 452 V N 2.132 122.073 119.914 0.044 0.000 2.469 452 V HA -0.092 4.028 4.120 0.001 0.000 0.251 452 V C 0.640 176.756 176.094 0.035 0.000 1.064 452 V CA 1.765 64.090 62.300 0.042 0.000 1.066 452 V CB -0.500 31.345 31.823 0.037 0.000 0.667 452 V HN 0.567 nan 8.190 nan 0.000 0.461 453 N N 0.586 119.304 118.700 0.031 0.000 2.279 453 N HA 0.079 4.819 4.740 0.001 0.000 0.226 453 N C 0.001 175.530 175.510 0.031 0.000 1.126 453 N CA -0.029 53.038 53.050 0.028 0.000 0.846 453 N CB -0.099 38.400 38.487 0.021 0.000 1.050 453 N HN 0.516 nan 8.380 nan 0.000 0.502 454 D N 1.634 122.055 120.400 0.034 0.000 2.434 454 D HA -0.040 4.600 4.640 0.001 0.000 0.252 454 D C 0.852 177.175 176.300 0.038 0.000 1.185 454 D CA 0.375 54.396 54.000 0.034 0.000 0.886 454 D CB 0.939 41.759 40.800 0.034 0.000 1.148 454 D HN 0.068 nan 8.370 nan 0.000 0.483 455 E N 2.870 123.092 120.200 0.037 0.000 2.478 455 E HA -0.032 4.319 4.350 0.001 0.000 0.194 455 E C 0.383 177.015 176.600 0.054 0.000 1.045 455 E CA 0.263 56.689 56.400 0.044 0.000 0.868 455 E CB -0.010 29.713 29.700 0.039 0.000 0.885 455 E HN 0.570 nan 8.360 nan 0.000 0.505 456 N N 0.269 118.995 118.700 0.042 0.000 2.230 456 N HA 0.085 4.825 4.740 0.001 0.000 0.202 456 N C 0.594 176.126 175.510 0.035 0.000 1.119 456 N CA -0.166 52.905 53.050 0.035 0.000 0.851 456 N CB 1.010 39.506 38.487 0.015 0.000 0.990 456 N HN -0.026 nan 8.380 nan 0.000 0.497 457 G N 0.340 109.168 108.800 0.046 0.000 2.528 457 G HA2 0.339 4.300 3.960 0.001 0.000 0.289 457 G HA3 0.339 4.300 3.960 0.001 0.000 0.289 457 G C -0.810 174.129 174.900 0.066 0.000 1.192 457 G CA -0.205 44.921 45.100 0.043 0.000 0.921 457 G HN 0.108 nan 8.290 nan 0.000 0.512 458 E N -0.453 119.780 120.200 0.055 0.000 2.278 458 E HA 0.429 4.779 4.350 0.001 0.000 0.272 458 E C -1.317 175.306 176.600 0.038 0.000 0.890 458 E CA -0.564 55.881 56.400 0.074 0.000 0.770 458 E CB 1.837 31.596 29.700 0.100 0.000 1.212 458 E HN 0.315 nan 8.360 nan 0.000 0.415 459 I N 3.168 123.766 120.570 0.046 0.000 2.378 459 I HA 0.466 4.636 4.170 0.001 0.000 0.291 459 I C 0.029 176.149 176.117 0.005 0.000 0.992 459 I CA -0.526 60.787 61.300 0.022 0.000 1.154 459 I CB 1.753 39.790 38.000 0.062 0.000 1.315 459 I HN 0.569 nan 8.210 nan 0.000 0.448 460 A N 7.465 130.264 122.820 -0.035 0.000 2.302 460 A HA 0.802 5.123 4.320 0.001 0.000 0.285 460 A C -0.585 176.969 177.584 -0.050 0.000 1.105 460 A CA -0.263 51.752 52.037 -0.037 0.000 0.816 460 A CB 0.597 19.557 19.000 -0.067 0.000 1.067 460 A HN 0.691 nan 8.150 nan 0.000 0.489 461 L N 0.081 121.293 121.223 -0.019 0.000 2.301 461 L HA 0.392 4.732 4.340 0.001 0.000 0.264 461 L C -0.805 176.053 176.870 -0.019 0.000 1.016 461 L CA -0.833 53.990 54.840 -0.029 0.000 0.821 461 L CB 2.161 44.247 42.059 0.046 0.000 1.346 461 L HN 0.674 nan 8.230 nan 0.000 0.429 462 c N 0.875 119.458 118.600 -0.029 0.000 2.192 462 c HA 0.313 4.883 4.570 0.001 0.000 0.337 462 c C 0.462 174.556 174.090 0.006 0.000 1.103 462 c CA -0.520 55.799 56.329 -0.016 0.000 1.581 462 c CB -0.743 41.750 42.510 -0.027 0.000 2.070 462 c HN 0.561 nan 8.230 nan 0.000 0.485 463 T N 5.645 120.209 114.554 0.015 0.000 2.910 463 T HA 0.451 4.801 4.350 0.001 0.000 0.323 463 T C 0.015 174.715 174.700 0.001 0.000 1.091 463 T CA 0.001 62.112 62.100 0.017 0.000 0.960 463 T CB 0.002 68.886 68.868 0.028 0.000 1.024 463 T HN 0.420 nan 8.240 nan 0.000 0.509 464 L N 1.593 122.814 121.223 -0.003 0.000 2.322 464 L HA 0.903 5.243 4.340 0.001 0.000 0.269 464 L C 0.404 177.258 176.870 -0.026 0.000 1.012 464 L CA -0.859 53.970 54.840 -0.017 0.000 0.815 464 L CB 1.878 43.932 42.059 -0.008 0.000 1.295 464 L HN 0.483 nan 8.230 nan 0.000 0.438 465 S N -0.452 115.210 115.700 -0.063 0.000 2.615 465 S HA 0.862 5.333 4.470 0.001 0.000 0.268 465 S C -1.885 172.604 174.600 -0.186 0.000 1.146 465 S CA -0.208 57.936 58.200 -0.093 0.000 0.818 465 S CB 2.007 65.145 63.200 -0.103 0.000 1.111 465 S HN 0.886 nan 8.310 nan 0.000 0.465 466 A N 1.137 123.832 122.820 -0.208 0.000 2.574 466 A HA 0.793 5.113 4.320 0.001 0.000 0.297 466 A C -1.928 175.499 177.584 -0.261 0.000 1.062 466 A CA -0.553 51.319 52.037 -0.275 0.000 0.686 466 A CB 0.661 19.613 19.000 -0.081 0.000 1.285 466 A HN 0.492 nan 8.150 nan 0.000 0.403 467 F N 1.669 121.615 119.950 -0.006 0.000 2.410 467 F HA 0.346 4.873 4.527 0.001 0.000 0.348 467 F C 0.958 176.750 175.800 -0.014 0.000 1.106 467 F CA -0.847 57.132 58.000 -0.034 0.000 1.163 467 F CB 0.937 39.890 39.000 -0.078 0.000 1.129 467 F HN 0.583 nan 8.300 nan 0.000 0.516 468 N N 4.231 123.047 118.700 0.193 0.000 2.448 468 N HA 0.088 4.829 4.740 0.001 0.000 0.250 468 N C 0.833 176.415 175.510 0.121 0.000 1.136 468 N CA 0.146 53.283 53.050 0.145 0.000 0.953 468 N CB 0.275 38.845 38.487 0.137 0.000 1.251 468 N HN 0.689 nan 8.380 nan 0.000 0.502 469 L N 1.806 123.078 121.223 0.082 0.000 2.351 469 L HA -0.080 4.260 4.340 0.001 0.000 0.220 469 L C 2.046 179.036 176.870 0.199 0.000 1.127 469 L CA 1.249 56.071 54.840 -0.030 0.000 0.786 469 L CB -0.226 41.619 42.059 -0.357 0.000 0.914 469 L HN 0.533 nan 8.230 nan 0.000 0.443 470 G N -0.898 108.083 108.800 0.301 0.000 2.712 470 G HA2 0.127 4.087 3.960 0.001 0.000 0.212 470 G HA3 0.127 4.087 3.960 0.001 0.000 0.212 470 G C 1.327 176.401 174.900 0.290 0.000 1.142 470 G CA 0.564 45.931 45.100 0.443 0.000 0.789 470 G HN 0.424 nan 8.290 nan 0.000 0.535 471 A N 0.096 123.024 122.820 0.180 0.000 2.430 471 A HA 0.588 4.908 4.320 0.001 0.000 0.243 471 A C 0.722 178.350 177.584 0.073 0.000 1.254 471 A CA -0.331 51.779 52.037 0.121 0.000 0.914 471 A CB -0.203 18.861 19.000 0.106 0.000 0.998 471 A HN 0.492 nan 8.150 nan 0.000 0.515 472 I N -4.387 116.232 120.570 0.082 0.000 2.577 472 I HA 0.502 4.672 4.170 0.001 0.000 0.305 472 I C 0.384 176.545 176.117 0.073 0.000 0.986 472 I CA -0.874 60.445 61.300 0.032 0.000 1.189 472 I CB 1.132 39.121 38.000 -0.019 0.000 1.355 472 I HN -0.122 nan 8.210 nan 0.000 0.476 473 N N 2.807 121.529 118.700 0.036 0.000 2.439 473 N HA 0.038 4.778 4.740 0.001 0.000 0.176 473 N C -0.365 175.182 175.510 0.061 0.000 1.029 473 N CA 0.569 53.646 53.050 0.046 0.000 0.886 473 N CB -0.109 38.382 38.487 0.006 0.000 1.057 473 N HN 0.891 nan 8.380 nan 0.000 0.437 474 N N -1.154 117.566 118.700 0.034 0.000 2.357 474 N HA 0.287 5.027 4.740 0.001 0.000 0.284 474 N C 0.188 175.715 175.510 0.028 0.000 1.236 474 N CA -0.646 52.432 53.050 0.047 0.000 0.774 474 N CB 1.425 39.926 38.487 0.023 0.000 1.534 474 N HN -0.260 nan 8.380 nan 0.000 0.478 475 L N -0.419 120.838 121.223 0.056 0.000 2.450 475 L HA -0.086 4.254 4.340 0.001 0.000 0.224 475 L C 0.591 177.508 176.870 0.079 0.000 1.149 475 L CA 0.927 55.799 54.840 0.053 0.000 0.816 475 L CB -0.411 41.713 42.059 0.109 0.000 0.932 475 L HN 0.684 nan 8.230 nan 0.000 0.449 476 D N 0.097 120.532 120.400 0.059 0.000 2.349 476 D HA -0.084 4.556 4.640 0.001 0.000 0.224 476 D C 1.528 177.713 176.300 -0.192 0.000 1.029 476 D CA 0.537 54.535 54.000 -0.004 0.000 0.879 476 D CB 0.163 40.994 40.800 0.051 0.000 0.906 476 D HN 0.517 nan 8.370 nan 0.000 0.528 477 E N 0.228 120.330 120.200 -0.163 0.000 2.482 477 E HA 0.021 4.371 4.350 0.001 0.000 0.196 477 E C 1.902 178.311 176.600 -0.318 0.000 1.047 477 E CA 0.003 56.278 56.400 -0.208 0.000 0.869 477 E CB 0.215 29.825 29.700 -0.149 0.000 0.836 477 E HN 0.297 nan 8.360 nan 0.000 0.520 478 L N 0.970 121.959 121.223 -0.389 0.000 2.291 478 L HA -0.113 4.227 4.340 0.001 0.000 0.214 478 L C 2.585 179.069 176.870 -0.645 0.000 1.120 478 L CA 0.831 55.354 54.840 -0.527 0.000 0.799 478 L CB -0.161 41.669 42.059 -0.382 0.000 0.925 478 L HN 0.173 nan 8.230 nan 0.000 0.446 479 E N 0.596 120.175 120.200 -1.035 0.000 2.051 479 E HA -0.305 4.046 4.350 0.001 0.000 0.192 479 E C 2.006 178.363 176.600 -0.406 0.000 0.991 479 E CA 1.561 57.377 56.400 -0.973 0.000 0.799 479 E CB 0.154 29.163 29.700 -1.152 0.000 0.748 479 E HN 0.337 nan 8.360 nan 0.000 0.449 480 E N 0.684 120.689 120.200 -0.326 0.000 2.047 480 E HA -0.150 4.201 4.350 0.001 0.000 0.191 480 E C 2.140 178.672 176.600 -0.114 0.000 0.987 480 E CA 1.364 57.655 56.400 -0.182 0.000 0.799 480 E CB -0.366 29.231 29.700 -0.171 0.000 0.752 480 E HN 0.383 nan 8.360 nan 0.000 0.449 481 L N 0.056 121.181 121.223 -0.163 0.000 2.046 481 L HA -0.146 4.194 4.340 0.001 0.000 0.208 481 L C 2.576 179.507 176.870 0.102 0.000 1.077 481 L CA 1.149 55.957 54.840 -0.054 0.000 0.747 481 L CB -0.726 41.243 42.059 -0.151 0.000 0.896 481 L HN 0.216 nan 8.230 nan 0.000 0.432 482 A N 0.563 123.368 122.820 -0.024 0.000 1.883 482 A HA -0.209 4.112 4.320 0.001 0.000 0.217 482 A C 2.240 179.917 177.584 0.155 0.000 1.186 482 A CA 1.634 53.776 52.037 0.174 0.000 0.624 482 A CB -0.687 18.355 19.000 0.069 0.000 0.822 482 A HN 0.324 nan 8.150 nan 0.000 0.444 483 I N -0.483 120.132 120.570 0.075 0.000 2.068 483 I HA -0.289 3.882 4.170 0.001 0.000 0.238 483 I C 2.297 178.534 176.117 0.200 0.000 1.046 483 I CA 1.305 62.674 61.300 0.115 0.000 1.306 483 I CB -0.485 37.572 38.000 0.096 0.000 1.023 483 I HN 0.228 nan 8.210 nan 0.000 0.399 484 L N 0.663 122.026 121.223 0.233 0.000 2.079 484 L HA -0.185 4.155 4.340 0.001 0.000 0.210 484 L C 2.766 179.904 176.870 0.447 0.000 1.081 484 L CA 2.157 57.230 54.840 0.388 0.000 0.752 484 L CB -2.000 40.276 42.059 0.361 0.000 0.896 484 L HN 0.268 nan 8.230 nan 0.000 0.433 485 A N -0.488 122.529 122.820 0.328 0.000 1.845 485 A HA -0.153 4.167 4.320 0.001 0.000 0.215 485 A C 2.445 180.127 177.584 0.163 0.000 1.195 485 A CA 2.034 54.224 52.037 0.256 0.000 0.616 485 A CB -0.940 18.160 19.000 0.166 0.000 0.832 485 A HN 0.193 nan 8.150 nan 0.000 0.443 486 V N -0.087 119.908 119.914 0.134 0.000 2.287 486 V HA -0.290 3.830 4.120 0.001 0.000 0.248 486 V C 2.666 178.780 176.094 0.033 0.000 1.053 486 V CA 2.424 64.764 62.300 0.066 0.000 1.027 486 V CB -0.898 30.961 31.823 0.059 0.000 0.646 486 V HN 0.513 nan 8.190 nan 0.000 0.447 487 R N 0.021 120.567 120.500 0.076 0.000 2.096 487 R HA -0.081 4.259 4.340 0.001 0.000 0.235 487 R C 2.405 178.578 176.300 -0.212 0.000 1.127 487 R CA 1.488 57.595 56.100 0.013 0.000 0.968 487 R CB -0.614 29.750 30.300 0.105 0.000 0.861 487 R HN 0.551 nan 8.270 nan 0.000 0.440 488 A N 0.714 123.406 122.820 -0.214 0.000 1.898 488 A HA -0.097 4.224 4.320 0.001 0.000 0.216 488 A C 2.102 179.462 177.584 -0.373 0.000 1.181 488 A CA 1.037 52.721 52.037 -0.588 0.000 0.620 488 A CB -0.454 18.232 19.000 -0.523 0.000 0.819 488 A HN 0.184 nan 8.150 nan 0.000 0.442 489 L N -0.780 120.347 121.223 -0.160 0.000 2.056 489 L HA -0.198 4.142 4.340 0.001 0.000 0.207 489 L C 2.392 179.200 176.870 -0.103 0.000 1.078 489 L CA 1.830 56.605 54.840 -0.108 0.000 0.749 489 L CB -0.574 41.460 42.059 -0.042 0.000 0.901 489 L HN 0.426 nan 8.230 nan 0.000 0.433 490 D N -0.141 120.202 120.400 -0.096 0.000 2.149 490 D HA -0.194 4.447 4.640 0.001 0.000 0.198 490 D C 2.136 178.381 176.300 -0.091 0.000 0.990 490 D CA 1.324 55.280 54.000 -0.072 0.000 0.839 490 D CB 0.160 40.925 40.800 -0.059 0.000 0.948 490 D HN 0.287 nan 8.370 nan 0.000 0.460 491 A N -0.019 122.693 122.820 -0.181 0.000 1.902 491 A HA -0.113 4.207 4.320 0.001 0.000 0.217 491 A C 2.134 179.648 177.584 -0.117 0.000 1.181 491 A CA 1.334 53.258 52.037 -0.188 0.000 0.623 491 A CB -0.935 17.818 19.000 -0.410 0.000 0.818 491 A HN 0.383 nan 8.150 nan 0.000 0.443 492 L N -0.012 121.108 121.223 -0.171 0.000 2.042 492 L HA -0.165 4.175 4.340 0.001 0.000 0.210 492 L C 2.281 179.193 176.870 0.069 0.000 1.076 492 L CA 1.723 56.506 54.840 -0.095 0.000 0.749 492 L CB -0.542 41.426 42.059 -0.152 0.000 0.893 492 L HN 0.426 nan 8.230 nan 0.000 0.432 493 L N -0.476 120.784 121.223 0.062 0.000 2.021 493 L HA -0.311 4.030 4.340 0.001 0.000 0.215 493 L C 2.180 179.175 176.870 0.209 0.000 1.074 493 L CA 1.824 56.754 54.840 0.150 0.000 0.760 493 L CB -0.884 41.229 42.059 0.089 0.000 0.889 493 L HN 0.361 nan 8.230 nan 0.000 0.433 494 D N -1.810 118.672 120.400 0.136 0.000 2.234 494 D HA -0.162 4.478 4.640 0.001 0.000 0.205 494 D C 1.858 178.267 176.300 0.182 0.000 0.962 494 D CA 0.816 54.900 54.000 0.140 0.000 0.855 494 D CB -0.044 40.800 40.800 0.072 0.000 0.951 494 D HN 0.307 nan 8.370 nan 0.000 0.500 495 Y N 1.888 122.216 120.300 0.047 0.000 2.184 495 Y HA -0.105 4.446 4.550 0.001 0.000 0.290 495 Y C 1.158 177.123 175.900 0.109 0.000 1.129 495 Y CA 0.915 59.049 58.100 0.057 0.000 1.144 495 Y CB -0.011 38.449 38.460 -0.001 0.000 0.995 495 Y HN -0.028 nan 8.280 nan 0.000 0.513 496 Q N 0.724 120.676 119.800 0.252 0.000 2.382 496 Q HA 0.208 4.548 4.340 0.001 0.000 0.229 496 Q C -1.057 174.861 176.000 -0.137 0.000 1.006 496 Q CA -0.673 55.202 55.803 0.121 0.000 0.916 496 Q CB 0.788 29.630 28.738 0.175 0.000 1.235 496 Q HN 0.110 nan 8.270 nan 0.000 0.512 497 D N 0.333 120.584 120.400 -0.249 0.000 2.225 497 D HA 0.254 4.895 4.640 0.001 0.000 0.249 497 D C -1.357 174.688 176.300 -0.425 0.000 1.052 497 D CA -0.185 53.679 54.000 -0.227 0.000 0.909 497 D CB 0.655 41.350 40.800 -0.175 0.000 1.186 497 D HN 0.395 nan 8.370 nan 0.000 0.431 498 Y N 1.889 122.183 120.300 -0.010 0.000 2.356 498 Y HA 0.233 4.783 4.550 0.001 0.000 0.334 498 Y C -1.079 174.790 175.900 -0.052 0.000 0.958 498 Y CA -1.615 56.489 58.100 0.006 0.000 1.196 498 Y CB 1.380 39.859 38.460 0.031 0.000 1.137 498 Y HN 0.276 nan 8.280 nan 0.000 0.485 499 P HA -0.118 nan 4.420 nan 0.000 0.216 499 P C 0.022 177.260 177.300 -0.103 0.000 1.150 499 P CA 1.545 64.544 63.100 -0.169 0.000 0.837 499 P CB 0.770 32.212 31.700 -0.430 0.000 0.786 500 I N -0.375 120.179 120.570 -0.026 0.000 2.406 500 I HA 0.227 4.397 4.170 0.001 0.000 0.290 500 I C -1.676 174.496 176.117 0.092 0.000 0.999 500 I CA -2.983 58.339 61.300 0.036 0.000 1.124 500 I CB 1.173 39.222 38.000 0.083 0.000 1.289 500 I HN -0.274 nan 8.210 nan 0.000 0.441 501 P HA -0.244 nan 4.420 nan 0.000 0.219 501 P C 1.501 178.827 177.300 0.043 0.000 1.161 501 P CA 2.282 65.407 63.100 0.042 0.000 0.909 501 P CB 0.336 32.056 31.700 0.034 0.000 0.793 502 A N -1.015 121.844 122.820 0.065 0.000 2.131 502 A HA -0.078 4.242 4.320 0.001 0.000 0.220 502 A C 2.211 179.839 177.584 0.073 0.000 1.158 502 A CA 1.940 54.019 52.037 0.070 0.000 0.665 502 A CB -1.330 17.715 19.000 0.075 0.000 0.795 502 A HN 0.248 nan 8.150 nan 0.000 0.460 503 A N -0.292 122.600 122.820 0.120 0.000 1.935 503 A HA 0.036 4.357 4.320 0.001 0.000 0.214 503 A C 2.031 179.614 177.584 -0.002 0.000 1.178 503 A CA 1.578 53.717 52.037 0.171 0.000 0.640 503 A CB -0.318 18.921 19.000 0.398 0.000 0.825 503 A HN 0.492 nan 8.150 nan 0.000 0.447 504 K N -0.203 120.090 120.400 -0.178 0.000 2.009 504 K HA -0.149 4.171 4.320 0.001 0.000 0.210 504 K C 2.297 178.644 176.600 -0.421 0.000 1.049 504 K CA 1.361 57.226 56.287 -0.704 0.000 0.929 504 K CB -0.207 32.002 32.500 -0.484 0.000 0.714 504 K HN 0.275 nan 8.250 nan 0.000 0.440 505 R N -0.356 120.030 120.500 -0.191 0.000 2.112 505 R HA -0.167 4.173 4.340 0.001 0.000 0.242 505 R C 2.382 178.534 176.300 -0.248 0.000 1.137 505 R CA 1.961 57.985 56.100 -0.127 0.000 0.944 505 R CB -0.934 29.412 30.300 0.077 0.000 0.857 505 R HN 0.505 nan 8.270 nan 0.000 0.435 506 G N -0.050 108.670 108.800 -0.132 0.000 2.408 506 G HA2 -0.186 3.775 3.960 0.001 0.000 0.217 506 G HA3 -0.186 3.775 3.960 0.001 0.000 0.217 506 G C 1.553 176.322 174.900 -0.218 0.000 1.150 506 G CA 0.816 45.842 45.100 -0.122 0.000 0.776 506 G HN 0.451 nan 8.290 nan 0.000 0.542 507 A N 0.862 123.556 122.820 -0.211 0.000 1.858 507 A HA 0.027 4.347 4.320 0.001 0.000 0.216 507 A C 2.428 179.860 177.584 -0.253 0.000 1.190 507 A CA 2.027 53.964 52.037 -0.167 0.000 0.617 507 A CB -0.333 18.614 19.000 -0.087 0.000 0.827 507 A HN 0.285 nan 8.150 nan 0.000 0.443 508 M N -0.440 118.939 119.600 -0.369 0.000 2.254 508 M HA -0.035 4.445 4.480 0.001 0.000 0.265 508 M C 2.286 178.286 176.300 -0.501 0.000 1.066 508 M CA 1.339 56.431 55.300 -0.347 0.000 1.123 508 M CB -1.797 30.614 32.600 -0.314 0.000 1.388 508 M HN 0.474 nan 8.290 nan 0.000 0.425 509 G N 1.356 109.643 108.800 -0.855 0.000 2.433 509 G HA2 -0.192 3.768 3.960 0.001 0.000 0.216 509 G HA3 -0.192 3.768 3.960 0.001 0.000 0.216 509 G C 1.693 176.068 174.900 -0.875 0.000 1.186 509 G CA 0.445 44.527 45.100 -1.697 0.000 0.779 509 G HN 0.518 nan 8.290 nan 0.000 0.543 510 R N -0.614 119.640 120.500 -0.409 0.000 2.437 510 R HA 0.280 4.620 4.340 0.001 0.000 0.257 510 R C 0.244 176.551 176.300 0.011 0.000 0.927 510 R CA -0.444 55.644 56.100 -0.019 0.000 1.078 510 R CB 0.405 30.836 30.300 0.219 0.000 1.161 510 R HN 0.143 nan 8.270 nan 0.000 0.529 511 R N 2.265 122.725 120.500 -0.066 0.000 3.109 511 R HA -0.128 4.212 4.340 0.001 0.000 0.241 511 R C -0.675 175.640 176.300 0.025 0.000 0.882 511 R CA 1.155 57.240 56.100 -0.026 0.000 0.604 511 R CB -2.026 28.252 30.300 -0.038 0.000 1.040 511 R HN 0.351 nan 8.270 nan 0.000 0.480 512 T N -0.729 113.857 114.554 0.053 0.000 2.780 512 T HA 0.597 4.947 4.350 0.001 0.000 0.294 512 T C 0.688 175.422 174.700 0.057 0.000 0.949 512 T CA -0.833 61.319 62.100 0.086 0.000 1.074 512 T CB 1.546 70.498 68.868 0.139 0.000 0.910 512 T HN 0.220 nan 8.240 nan 0.000 0.501 513 L N 2.175 123.425 121.223 0.045 0.000 2.322 513 L HA 0.803 5.144 4.340 0.001 0.000 0.269 513 L C 0.674 177.559 176.870 0.024 0.000 1.012 513 L CA -1.237 53.618 54.840 0.024 0.000 0.815 513 L CB 1.980 44.043 42.059 0.007 0.000 1.295 513 L HN 0.918 nan 8.230 nan 0.000 0.438 514 G N 2.523 111.326 108.800 0.005 0.000 3.418 514 G HA2 0.571 4.531 3.960 0.001 0.000 0.325 514 G HA3 0.571 4.531 3.960 0.001 0.000 0.325 514 G C -0.726 174.154 174.900 -0.033 0.000 1.556 514 G CA -0.193 44.907 45.100 -0.001 0.000 1.047 514 G HN 0.338 nan 8.290 nan 0.000 0.500 515 I N 1.937 122.477 120.570 -0.050 0.000 2.392 515 I HA 0.666 4.837 4.170 0.001 0.000 0.295 515 I C 0.868 176.915 176.117 -0.117 0.000 0.985 515 I CA -0.425 60.787 61.300 -0.147 0.000 1.221 515 I CB 2.042 39.908 38.000 -0.224 0.000 1.366 515 I HN 0.454 nan 8.210 nan 0.000 0.467 516 G N 4.722 113.437 108.800 -0.142 0.000 3.021 516 G HA2 0.691 4.652 3.960 0.001 0.000 0.290 516 G HA3 0.691 4.652 3.960 0.001 0.000 0.290 516 G C -0.779 174.093 174.900 -0.047 0.000 1.291 516 G CA -0.418 44.666 45.100 -0.026 0.000 0.834 516 G HN 0.504 nan 8.290 nan 0.000 0.564 517 V N -1.624 118.324 119.914 0.058 0.000 3.267 517 V HA 0.906 5.027 4.120 0.001 0.000 0.317 517 V C 0.070 176.225 176.094 0.102 0.000 1.131 517 V CA -0.847 61.499 62.300 0.077 0.000 1.031 517 V CB 1.279 33.150 31.823 0.080 0.000 1.159 517 V HN 1.196 nan 8.190 nan 0.000 0.454 518 I N -2.590 118.061 120.570 0.135 0.000 3.102 518 I HA 0.596 4.766 4.170 0.001 0.000 0.310 518 I C 0.057 176.309 176.117 0.225 0.000 1.246 518 I CA -0.660 60.743 61.300 0.172 0.000 0.979 518 I CB 2.066 40.147 38.000 0.134 0.000 1.267 518 I HN 0.914 nan 8.210 nan 0.000 0.451 519 N N 0.235 119.098 118.700 0.271 0.000 2.829 519 N HA -0.239 4.502 4.740 0.001 0.000 0.250 519 N C 0.466 176.248 175.510 0.454 0.000 1.090 519 N CA 0.771 54.020 53.050 0.332 0.000 0.781 519 N CB -0.595 38.057 38.487 0.275 0.000 1.124 519 N HN 0.756 nan 8.380 nan 0.000 0.559 520 F N 1.311 121.426 119.950 0.275 0.000 2.069 520 F HA -0.085 4.443 4.527 0.001 0.000 0.298 520 F C 2.319 178.338 175.800 0.365 0.000 1.113 520 F CA 2.187 60.358 58.000 0.285 0.000 1.214 520 F CB -0.847 38.316 39.000 0.273 0.000 0.978 520 F HN 0.223 nan 8.300 nan 0.000 0.474 521 A N -0.426 122.629 122.820 0.391 0.000 1.873 521 A HA -0.320 4.001 4.320 0.001 0.000 0.218 521 A C 2.233 179.992 177.584 0.291 0.000 1.193 521 A CA 1.988 54.241 52.037 0.360 0.000 0.629 521 A CB -1.901 17.428 19.000 0.548 0.000 0.826 521 A HN 0.633 nan 8.150 nan 0.000 0.447 522 Y N -1.330 119.154 120.300 0.306 0.000 2.181 522 Y HA -0.268 4.282 4.550 0.001 0.000 0.288 522 Y C 2.219 178.178 175.900 0.100 0.000 1.146 522 Y CA 2.040 60.256 58.100 0.194 0.000 1.164 522 Y CB -0.628 38.016 38.460 0.305 0.000 0.982 522 Y HN 0.444 nan 8.280 nan 0.000 0.515 523 Y N 0.412 120.749 120.300 0.061 0.000 2.128 523 Y HA -0.287 4.264 4.550 0.001 0.000 0.284 523 Y C 2.107 177.918 175.900 -0.149 0.000 1.154 523 Y CA 2.068 60.147 58.100 -0.035 0.000 1.149 523 Y CB -0.635 37.882 38.460 0.095 0.000 0.976 523 Y HN 0.178 nan 8.280 nan 0.000 0.505 524 L N -0.364 120.707 121.223 -0.253 0.000 2.127 524 L HA -0.244 4.096 4.340 0.001 0.000 0.211 524 L C 2.705 179.386 176.870 -0.315 0.000 1.089 524 L CA 1.175 55.775 54.840 -0.399 0.000 0.757 524 L CB -0.945 40.776 42.059 -0.563 0.000 0.899 524 L HN 0.417 nan 8.230 nan 0.000 0.434 525 A N 0.486 123.092 122.820 -0.355 0.000 1.897 525 A HA -0.157 4.163 4.320 0.001 0.000 0.215 525 A C 2.226 179.541 177.584 -0.449 0.000 1.181 525 A CA 1.145 52.919 52.037 -0.438 0.000 0.620 525 A CB -0.231 18.314 19.000 -0.758 0.000 0.821 525 A HN 0.378 nan 8.150 nan 0.000 0.443 526 K N -0.489 119.583 120.400 -0.547 0.000 2.209 526 K HA -0.138 4.182 4.320 0.001 0.000 0.204 526 K C 0.875 177.174 176.600 -0.502 0.000 1.048 526 K CA 1.269 57.242 56.287 -0.522 0.000 0.940 526 K CB -0.390 31.770 32.500 -0.566 0.000 0.729 526 K HN 0.664 nan 8.250 nan 0.000 0.451 527 H N 0.200 119.020 119.070 -0.416 0.000 2.529 527 H HA 0.105 4.662 4.556 0.001 0.000 0.277 527 H C 0.694 175.866 175.328 -0.260 0.000 1.004 527 H CA 0.382 56.224 56.048 -0.343 0.000 1.167 527 H CB 0.530 30.032 29.762 -0.433 0.000 1.445 527 H HN 0.465 nan 8.280 nan 0.000 0.554 528 G N 2.306 110.997 108.800 -0.181 0.000 2.273 528 G HA2 -0.276 3.684 3.960 0.001 0.000 0.280 528 G HA3 -0.276 3.684 3.960 0.001 0.000 0.280 528 G C 0.184 175.018 174.900 -0.110 0.000 1.047 528 G CA 0.281 45.294 45.100 -0.145 0.000 0.869 528 G HN 0.256 nan 8.290 nan 0.000 0.502 529 K N -1.052 119.271 120.400 -0.129 0.000 2.245 529 K HA 0.814 5.134 4.320 0.001 0.000 0.234 529 K C 0.482 177.027 176.600 -0.091 0.000 1.021 529 K CA -0.818 55.403 56.287 -0.109 0.000 0.898 529 K CB 1.669 34.088 32.500 -0.135 0.000 1.163 529 K HN 0.248 nan 8.250 nan 0.000 0.459 530 R N -0.760 119.710 120.500 -0.051 0.000 2.836 530 R HA 0.279 4.619 4.340 0.001 0.000 0.269 530 R C 0.467 176.810 176.300 0.073 0.000 1.010 530 R CA -0.471 55.656 56.100 0.045 0.000 0.930 530 R CB 0.902 31.241 30.300 0.066 0.000 1.218 530 R HN 0.496 nan 8.270 nan 0.000 0.473 531 Y N -0.554 119.770 120.300 0.040 0.000 2.269 531 Y HA -0.100 4.450 4.550 0.001 0.000 0.294 531 Y C 2.262 178.210 175.900 0.081 0.000 1.120 531 Y CA 1.542 59.694 58.100 0.087 0.000 1.159 531 Y CB 0.150 38.702 38.460 0.153 0.000 1.024 531 Y HN 0.575 nan 8.280 nan 0.000 0.532 532 S N -0.608 115.229 115.700 0.228 0.000 2.527 532 S HA -0.073 4.398 4.470 0.001 0.000 0.222 532 S C 0.998 175.659 174.600 0.101 0.000 0.985 532 S CA 0.827 59.118 58.200 0.152 0.000 0.921 532 S CB -0.399 62.868 63.200 0.112 0.000 0.772 532 S HN 0.562 nan 8.310 nan 0.000 0.529 533 D N 0.122 120.571 120.400 0.081 0.000 2.360 533 D HA 0.299 4.939 4.640 0.001 0.000 0.210 533 D C 1.433 177.755 176.300 0.037 0.000 1.047 533 D CA 0.569 54.601 54.000 0.053 0.000 0.854 533 D CB -0.578 40.246 40.800 0.041 0.000 0.936 533 D HN 0.478 nan 8.370 nan 0.000 0.514 534 G N 0.406 109.225 108.800 0.032 0.000 2.176 534 G HA2 -0.359 3.601 3.960 0.001 0.000 0.253 534 G HA3 -0.359 3.601 3.960 0.001 0.000 0.253 534 G C 1.211 176.109 174.900 -0.003 0.000 0.979 534 G CA 0.847 45.950 45.100 0.005 0.000 0.641 534 G HN 0.680 nan 8.290 nan 0.000 0.530 535 S N -0.543 115.157 115.700 0.000 0.000 2.447 535 S HA 0.390 4.860 4.470 0.001 0.000 0.233 535 S C 2.159 176.744 174.600 -0.025 0.000 1.006 535 S CA 1.369 59.562 58.200 -0.013 0.000 0.957 535 S CB 0.005 63.197 63.200 -0.014 0.000 0.773 535 S HN 1.732 nan 8.310 nan 0.000 0.507 536 A N 0.939 123.742 122.820 -0.029 0.000 2.348 536 A HA 0.353 4.673 4.320 0.001 0.000 0.224 536 A C 1.627 179.227 177.584 0.026 0.000 1.227 536 A CA -0.019 52.000 52.037 -0.030 0.000 0.885 536 A CB -0.335 18.610 19.000 -0.092 0.000 0.933 536 A HN 0.452 nan 8.150 nan 0.000 0.506 537 N N 1.855 120.563 118.700 0.013 0.000 2.018 537 N HA -0.183 4.557 4.740 0.001 0.000 0.196 537 N C 1.375 176.928 175.510 0.072 0.000 1.043 537 N CA 1.941 55.005 53.050 0.023 0.000 0.856 537 N CB -0.372 38.102 38.487 -0.022 0.000 1.042 537 N HN 0.483 nan 8.380 nan 0.000 0.423 538 N N 0.495 119.222 118.700 0.044 0.000 2.142 538 N HA -0.099 4.641 4.740 0.001 0.000 0.186 538 N C 1.797 177.385 175.510 0.129 0.000 1.023 538 N CA 0.428 53.516 53.050 0.064 0.000 0.852 538 N CB -0.585 37.910 38.487 0.014 0.000 0.998 538 N HN 0.151 nan 8.380 nan 0.000 0.424 539 L N 1.764 123.039 121.223 0.087 0.000 2.013 539 L HA -0.168 4.173 4.340 0.001 0.000 0.212 539 L C 2.001 179.004 176.870 0.223 0.000 1.073 539 L CA 1.815 56.713 54.840 0.097 0.000 0.753 539 L CB -1.303 40.747 42.059 -0.016 0.000 0.890 539 L HN 0.105 nan 8.230 nan 0.000 0.432 540 T N -1.294 113.423 114.554 0.271 0.000 2.652 540 T HA -0.262 4.088 4.350 0.001 0.000 0.267 540 T C 1.862 176.790 174.700 0.380 0.000 1.039 540 T CA 1.605 63.947 62.100 0.402 0.000 1.153 540 T CB -0.589 68.470 68.868 0.317 0.000 0.863 540 T HN 0.524 nan 8.240 nan 0.000 0.428 541 H N 1.466 120.652 119.070 0.193 0.000 2.353 541 H HA -0.042 4.514 4.556 0.001 0.000 0.298 541 H C 2.392 177.787 175.328 0.112 0.000 1.103 541 H CA 1.672 57.838 56.048 0.197 0.000 1.293 541 H CB -0.158 29.682 29.762 0.130 0.000 1.372 541 H HN 0.265 nan 8.280 nan 0.000 0.501 542 K N -0.235 120.367 120.400 0.335 0.000 2.097 542 K HA -0.081 4.240 4.320 0.001 0.000 0.205 542 K C 1.801 178.476 176.600 0.124 0.000 1.050 542 K CA 1.586 58.040 56.287 0.279 0.000 0.938 542 K CB 0.172 32.831 32.500 0.265 0.000 0.718 542 K HN 0.295 nan 8.250 nan 0.000 0.442 543 T N -0.047 114.565 114.554 0.096 0.000 3.014 543 T HA 0.006 4.357 4.350 0.001 0.000 0.263 543 T C 1.384 175.867 174.700 -0.360 0.000 1.078 543 T CA 0.738 62.786 62.100 -0.086 0.000 1.135 543 T CB -0.115 68.727 68.868 -0.043 0.000 0.895 543 T HN 0.109 nan 8.240 nan 0.000 0.480 544 F N 1.235 121.058 119.950 -0.212 0.000 2.473 544 F HA 0.242 4.770 4.527 0.001 0.000 0.294 544 F C 2.410 177.776 175.800 -0.724 0.000 1.103 544 F CA 0.154 57.980 58.000 -0.289 0.000 1.442 544 F CB -0.042 38.897 39.000 -0.101 0.000 1.097 544 F HN 0.129 nan 8.300 nan 0.000 0.547 545 E N 0.876 120.408 120.200 -1.114 0.000 2.051 545 E HA -0.226 4.124 4.350 0.001 0.000 0.192 545 E C 2.356 178.748 176.600 -0.347 0.000 0.991 545 E CA 1.217 56.922 56.400 -1.158 0.000 0.799 545 E CB -0.123 29.165 29.700 -0.687 0.000 0.748 545 E HN 0.304 nan 8.360 nan 0.000 0.449 546 A N 1.275 123.946 122.820 -0.250 0.000 1.883 546 A HA -0.179 4.141 4.320 0.001 0.000 0.217 546 A C 2.214 179.634 177.584 -0.274 0.000 1.186 546 A CA 1.552 53.388 52.037 -0.335 0.000 0.624 546 A CB -0.739 18.219 19.000 -0.070 0.000 0.822 546 A HN 0.338 nan 8.150 nan 0.000 0.444 547 I N -0.877 119.559 120.570 -0.223 0.000 2.118 547 I HA -0.329 3.841 4.170 0.001 0.000 0.241 547 I C 2.794 178.919 176.117 0.013 0.000 1.070 547 I CA 1.988 63.222 61.300 -0.110 0.000 1.327 547 I CB -0.305 37.622 38.000 -0.122 0.000 1.034 547 I HN 0.365 nan 8.210 nan 0.000 0.405 548 Q N 0.056 119.894 119.800 0.064 0.000 2.084 548 Q HA -0.258 4.082 4.340 0.001 0.000 0.202 548 Q C 2.051 178.087 176.000 0.059 0.000 0.978 548 Q CA 1.838 57.764 55.803 0.206 0.000 0.844 548 Q CB -0.560 28.469 28.738 0.485 0.000 0.898 548 Q HN 0.607 nan 8.270 nan 0.000 0.426 549 Y N -0.659 119.457 120.300 -0.308 0.000 2.114 549 Y HA -0.293 4.258 4.550 0.001 0.000 0.284 549 Y C 1.571 177.104 175.900 -0.613 0.000 1.143 549 Y CA 1.966 59.588 58.100 -0.796 0.000 1.135 549 Y CB -0.523 37.160 38.460 -1.296 0.000 0.980 549 Y HN 0.157 nan 8.280 nan 0.000 0.499 550 Y N 0.289 120.359 120.300 -0.383 0.000 2.207 550 Y HA -0.240 4.310 4.550 0.001 0.000 0.287 550 Y C 2.395 178.140 175.900 -0.259 0.000 1.156 550 Y CA 1.437 59.319 58.100 -0.364 0.000 1.182 550 Y CB -0.986 37.319 38.460 -0.257 0.000 0.979 550 Y HN 0.190 nan 8.280 nan 0.000 0.521 551 L N -1.001 120.219 121.223 -0.005 0.000 1.994 551 L HA -0.249 4.092 4.340 0.001 0.000 0.208 551 L C 2.334 179.157 176.870 -0.079 0.000 1.071 551 L CA 1.247 56.106 54.840 0.031 0.000 0.745 551 L CB -0.802 41.323 42.059 0.110 0.000 0.892 551 L HN 0.204 nan 8.230 nan 0.000 0.431 552 L N -0.221 120.908 121.223 -0.157 0.000 2.012 552 L HA -0.264 4.077 4.340 0.001 0.000 0.210 552 L C 2.707 179.409 176.870 -0.280 0.000 1.073 552 L CA 1.471 56.176 54.840 -0.225 0.000 0.748 552 L CB -0.519 41.414 42.059 -0.210 0.000 0.891 552 L HN 0.248 nan 8.230 nan 0.000 0.431 553 K N 0.362 120.508 120.400 -0.424 0.000 2.009 553 K HA -0.237 4.084 4.320 0.001 0.000 0.210 553 K C 2.132 178.623 176.600 -0.182 0.000 1.049 553 K CA 1.705 57.773 56.287 -0.365 0.000 0.929 553 K CB -0.232 31.967 32.500 -0.501 0.000 0.714 553 K HN 0.255 nan 8.250 nan 0.000 0.440 554 A N 0.190 122.943 122.820 -0.112 0.000 1.940 554 A HA -0.177 4.143 4.320 0.001 0.000 0.219 554 A C 2.244 179.793 177.584 -0.059 0.000 1.176 554 A CA 2.202 54.209 52.037 -0.050 0.000 0.631 554 A CB -0.912 18.091 19.000 0.005 0.000 0.814 554 A HN 0.451 nan 8.150 nan 0.000 0.446 555 S N -0.533 115.116 115.700 -0.086 0.000 2.368 555 S HA -0.165 4.306 4.470 0.001 0.000 0.224 555 S C 2.074 176.598 174.600 -0.128 0.000 1.029 555 S CA 1.286 59.426 58.200 -0.098 0.000 0.988 555 S CB -0.561 62.566 63.200 -0.121 0.000 0.838 555 S HN 0.758 nan 8.310 nan 0.000 0.462 556 N N 0.161 118.771 118.700 -0.150 0.000 2.120 556 N HA -0.145 4.596 4.740 0.001 0.000 0.188 556 N C 1.504 176.936 175.510 -0.131 0.000 1.024 556 N CA 1.222 54.184 53.050 -0.146 0.000 0.852 556 N CB -0.105 38.298 38.487 -0.140 0.000 1.003 556 N HN 0.278 nan 8.380 nan 0.000 0.424 557 E N 1.125 121.256 120.200 -0.115 0.000 2.085 557 E HA -0.178 4.172 4.350 0.001 0.000 0.194 557 E C 1.932 178.486 176.600 -0.077 0.000 0.994 557 E CA 0.569 56.911 56.400 -0.096 0.000 0.801 557 E CB -0.518 29.148 29.700 -0.058 0.000 0.743 557 E HN 0.357 nan 8.360 nan 0.000 0.453 558 L N 0.307 121.492 121.223 -0.063 0.000 2.141 558 L HA -0.001 4.339 4.340 0.001 0.000 0.209 558 L C 2.033 178.857 176.870 -0.077 0.000 1.094 558 L CA 1.736 56.546 54.840 -0.050 0.000 0.763 558 L CB -0.570 41.467 42.059 -0.037 0.000 0.908 558 L HN 0.047 nan 8.230 nan 0.000 0.437 559 A N -0.742 122.016 122.820 -0.105 0.000 1.898 559 A HA -0.168 4.152 4.320 0.001 0.000 0.216 559 A C 2.290 179.822 177.584 -0.087 0.000 1.181 559 A CA 1.477 53.443 52.037 -0.118 0.000 0.620 559 A CB -0.419 18.470 19.000 -0.185 0.000 0.819 559 A HN 0.423 nan 8.150 nan 0.000 0.442 560 K N -0.481 119.861 120.400 -0.097 0.000 2.034 560 K HA -0.252 4.068 4.320 0.001 0.000 0.214 560 K C 2.125 178.682 176.600 -0.071 0.000 1.051 560 K CA 1.918 58.141 56.287 -0.106 0.000 0.931 560 K CB -0.224 32.141 32.500 -0.226 0.000 0.715 560 K HN 0.712 nan 8.250 nan 0.000 0.446 561 E N 0.520 120.678 120.200 -0.070 0.000 2.047 561 E HA -0.184 4.167 4.350 0.001 0.000 0.191 561 E C 1.425 177.987 176.600 -0.064 0.000 0.987 561 E CA 1.242 57.607 56.400 -0.057 0.000 0.799 561 E CB 0.301 29.974 29.700 -0.045 0.000 0.752 561 E HN 0.345 nan 8.360 nan 0.000 0.449 562 Q N -1.000 118.759 119.800 -0.070 0.000 2.164 562 Q HA 0.272 4.612 4.340 0.001 0.000 0.226 562 Q C -0.028 175.934 176.000 -0.063 0.000 0.813 562 Q CA 0.257 56.015 55.803 -0.075 0.000 0.978 562 Q CB 2.185 30.868 28.738 -0.092 0.000 1.149 562 Q HN 0.249 nan 8.270 nan 0.000 0.489 563 G N 1.598 110.361 108.800 -0.062 0.000 2.788 563 G HA2 0.040 4.001 3.960 0.001 0.000 0.686 563 G HA3 0.040 4.001 3.960 0.001 0.000 0.686 563 G C -0.440 174.410 174.900 -0.084 0.000 1.147 563 G CA -0.548 44.517 45.100 -0.060 0.000 0.755 563 G HN 0.350 nan 8.290 nan 0.000 0.634 564 A N 1.024 123.777 122.820 -0.112 0.000 2.406 564 A HA 0.627 4.948 4.320 0.001 0.000 0.243 564 A C 1.626 179.180 177.584 -0.051 0.000 1.082 564 A CA 0.530 52.469 52.037 -0.162 0.000 0.786 564 A CB -0.215 18.593 19.000 -0.320 0.000 1.029 564 A HN 2.544 nan 8.150 nan 0.000 0.495 565 C N 0.564 119.859 119.300 -0.008 0.000 2.642 565 C HA 0.351 4.811 4.460 0.001 0.000 0.420 565 C C -1.017 174.023 174.990 0.083 0.000 1.349 565 C CA -1.029 57.999 59.018 0.016 0.000 1.821 565 C CB -0.387 27.380 27.740 0.044 0.000 2.637 565 C HN 0.702 nan 8.230 nan 0.000 0.605 566 P HA -0.164 nan 4.420 nan 0.000 0.219 566 P C 0.698 178.206 177.300 0.346 0.000 1.161 566 P CA 2.038 65.196 63.100 0.097 0.000 0.909 566 P CB -0.134 31.528 31.700 -0.063 0.000 0.793 567 W N -1.738 119.632 121.300 0.117 0.000 3.364 567 W HA 0.306 4.966 4.660 0.001 0.000 0.397 567 W C 1.419 178.037 176.519 0.165 0.000 1.107 567 W CA -1.329 56.089 57.345 0.122 0.000 1.892 567 W CB -1.956 27.566 29.460 0.103 0.000 1.027 567 W HN -0.040 nan 8.180 nan 0.000 0.761 568 F N 2.792 122.878 119.950 0.226 0.000 2.202 568 F HA -0.275 4.253 4.527 0.000 0.000 0.301 568 F C 1.841 177.729 175.800 0.148 0.000 1.082 568 F CA 2.239 60.330 58.000 0.152 0.000 1.313 568 F CB -0.446 38.607 39.000 0.089 0.000 1.024 568 F HN 0.091 nan 8.300 nan 0.000 0.495 569 N N 0.076 118.840 118.700 0.107 0.000 2.417 569 N HA -0.233 4.507 4.740 0.001 0.000 0.187 569 N C 1.088 176.569 175.510 -0.048 0.000 1.027 569 N CA 1.538 54.584 53.050 -0.008 0.000 0.891 569 N CB -0.743 37.791 38.487 0.077 0.000 0.956 569 N HN 0.544 nan 8.380 nan 0.000 0.442 570 E N 0.179 120.392 120.200 0.022 0.000 2.478 570 E HA -0.038 4.312 4.350 0.001 0.000 0.194 570 E C 0.362 176.985 176.600 0.039 0.000 1.045 570 E CA 0.554 56.987 56.400 0.055 0.000 0.868 570 E CB -0.053 29.724 29.700 0.128 0.000 0.885 570 E HN 0.545 nan 8.360 nan 0.000 0.505 571 T N -0.360 114.113 114.554 -0.136 0.000 2.882 571 T HA 0.092 4.442 4.350 0.001 0.000 0.287 571 T C 1.508 176.060 174.700 -0.247 0.000 1.014 571 T CA -0.073 61.881 62.100 -0.243 0.000 1.049 571 T CB 1.552 70.210 68.868 -0.350 0.000 1.001 571 T HN 0.028 nan 8.240 nan 0.000 0.525 572 T N -0.982 113.426 114.554 -0.243 0.000 2.962 572 T HA -0.111 4.239 4.350 0.001 0.000 0.270 572 T C 1.435 176.002 174.700 -0.221 0.000 1.088 572 T CA 0.691 62.659 62.100 -0.220 0.000 1.127 572 T CB -0.853 67.872 68.868 -0.239 0.000 0.883 572 T HN 0.635 nan 8.240 nan 0.000 0.493 573 Y N 2.357 122.540 120.300 -0.195 0.000 2.128 573 Y HA 0.034 4.585 4.550 0.001 0.000 0.284 573 Y C 3.075 178.909 175.900 -0.110 0.000 1.154 573 Y CA 0.747 58.796 58.100 -0.084 0.000 1.149 573 Y CB -1.149 37.319 38.460 0.013 0.000 0.976 573 Y HN 0.333 nan 8.280 nan 0.000 0.505 574 A N 0.010 122.589 122.820 -0.402 0.000 1.948 574 A HA -0.226 4.094 4.320 0.001 0.000 0.220 574 A C 1.945 179.514 177.584 -0.025 0.000 1.177 574 A CA 1.823 53.653 52.037 -0.345 0.000 0.636 574 A CB -0.554 18.037 19.000 -0.682 0.000 0.815 574 A HN 0.429 nan 8.150 nan 0.000 0.449 575 K N -1.121 119.248 120.400 -0.051 0.000 2.504 575 K HA 0.251 4.572 4.320 0.001 0.000 0.199 575 K C 0.834 177.450 176.600 0.027 0.000 1.028 575 K CA 0.391 56.674 56.287 -0.006 0.000 1.164 575 K CB -0.250 32.231 32.500 -0.031 0.000 0.877 575 K HN 0.649 nan 8.250 nan 0.000 0.508 576 G N 1.909 110.752 108.800 0.072 0.000 2.176 576 G HA2 -0.260 3.701 3.960 0.001 0.000 0.252 576 G HA3 -0.260 3.701 3.960 0.001 0.000 0.252 576 G C 0.050 174.994 174.900 0.072 0.000 1.024 576 G CA -0.125 45.036 45.100 0.101 0.000 0.755 576 G HN 0.304 nan 8.290 nan 0.000 0.507 577 I N 0.523 121.102 120.570 0.016 0.000 2.331 577 I HA 0.477 4.647 4.170 0.001 0.000 0.292 577 I C 0.736 176.803 176.117 -0.083 0.000 0.998 577 I CA -0.614 60.663 61.300 -0.040 0.000 1.267 577 I CB 1.184 39.127 38.000 -0.095 0.000 1.386 577 I HN -0.043 nan 8.210 nan 0.000 0.476 578 L N 7.753 128.970 121.223 -0.010 0.000 2.322 578 L HA 0.427 4.767 4.340 0.001 0.000 0.269 578 L C -1.419 175.431 176.870 -0.033 0.000 1.012 578 L CA -1.631 53.230 54.840 0.035 0.000 0.815 578 L CB 1.819 44.020 42.059 0.237 0.000 1.295 578 L HN 0.312 nan 8.230 nan 0.000 0.438 579 P HA -0.195 nan 4.420 nan 0.000 0.216 579 P C 1.409 178.717 177.300 0.014 0.000 1.150 579 P CA 1.544 64.657 63.100 0.022 0.000 0.843 579 P CB -0.078 31.655 31.700 0.056 0.000 0.787 580 I N -3.515 116.950 120.570 -0.176 0.000 3.176 580 I HA -0.041 4.129 4.170 0.001 0.000 0.275 580 I C 0.725 176.859 176.117 0.028 0.000 1.298 580 I CA 1.369 62.560 61.300 -0.182 0.000 1.445 580 I CB -0.651 37.062 38.000 -0.478 0.000 1.075 580 I HN -0.190 nan 8.210 nan 0.000 0.482 581 D N 1.302 121.689 120.400 -0.022 0.000 2.388 581 D HA -0.000 4.640 4.640 0.001 0.000 0.208 581 D C 1.771 177.972 176.300 -0.164 0.000 1.035 581 D CA 1.376 55.329 54.000 -0.078 0.000 0.875 581 D CB 0.493 41.263 40.800 -0.049 0.000 0.984 581 D HN 0.537 nan 8.370 nan 0.000 0.508 582 T N -1.700 112.793 114.554 -0.102 0.000 3.084 582 T HA 0.098 4.449 4.350 0.001 0.000 0.270 582 T C 0.751 175.254 174.700 -0.327 0.000 1.008 582 T CA -0.704 61.316 62.100 -0.134 0.000 0.900 582 T CB -0.657 68.238 68.868 0.045 0.000 1.084 582 T HN 0.085 nan 8.240 nan 0.000 0.538 583 Y N 1.399 121.370 120.300 -0.550 0.000 2.385 583 Y HA 0.577 5.127 4.550 0.001 0.000 0.346 583 Y C 0.434 175.975 175.900 -0.599 0.000 1.270 583 Y CA -1.865 55.607 58.100 -1.048 0.000 1.472 583 Y CB 0.453 38.448 38.460 -0.775 0.000 1.354 583 Y HN -0.098 nan 8.280 nan 0.000 0.611 584 K N 3.091 123.262 120.400 -0.383 0.000 2.378 584 K HA 0.050 4.370 4.320 0.001 0.000 0.288 584 K C 1.019 177.555 176.600 -0.107 0.000 1.057 584 K CA -0.393 55.713 56.287 -0.303 0.000 0.971 584 K CB 0.600 32.866 32.500 -0.390 0.000 0.975 584 K HN 0.739 nan 8.250 nan 0.000 0.475 585 K N 3.458 123.725 120.400 -0.222 0.000 2.077 585 K HA -0.263 4.057 4.320 0.001 0.000 0.213 585 K C 0.273 176.885 176.600 0.020 0.000 1.051 585 K CA 2.375 58.583 56.287 -0.132 0.000 0.929 585 K CB -0.804 31.599 32.500 -0.162 0.000 0.715 585 K HN 0.725 nan 8.250 nan 0.000 0.451 586 D N 1.184 121.585 120.400 0.003 0.000 2.311 586 D HA -0.074 4.566 4.640 0.001 0.000 0.212 586 D C 1.949 178.376 176.300 0.211 0.000 0.972 586 D CA 0.894 54.929 54.000 0.059 0.000 0.887 586 D CB -0.193 40.568 40.800 -0.066 0.000 0.915 586 D HN 0.203 nan 8.370 nan 0.000 0.497 587 L N 0.564 121.920 121.223 0.222 0.000 2.127 587 L HA -0.181 4.160 4.340 0.001 0.000 0.211 587 L C 1.667 178.598 176.870 0.102 0.000 1.089 587 L CA 0.921 55.864 54.840 0.171 0.000 0.757 587 L CB -0.351 41.736 42.059 0.047 0.000 0.899 587 L HN 0.003 nan 8.230 nan 0.000 0.434 588 D N -0.298 120.178 120.400 0.126 0.000 2.158 588 D HA -0.202 4.439 4.640 0.001 0.000 0.197 588 D C 2.216 178.545 176.300 0.050 0.000 0.995 588 D CA 1.998 56.043 54.000 0.075 0.000 0.846 588 D CB -0.268 40.585 40.800 0.088 0.000 0.941 588 D HN 0.411 nan 8.370 nan 0.000 0.456 589 T N -1.291 113.312 114.554 0.082 0.000 3.113 589 T HA -0.051 4.299 4.350 0.001 0.000 0.263 589 T C 1.674 176.415 174.700 0.069 0.000 1.143 589 T CA 0.389 62.537 62.100 0.079 0.000 1.090 589 T CB -0.470 68.464 68.868 0.109 0.000 0.922 589 T HN 0.429 nan 8.240 nan 0.000 0.521 590 I N -2.034 118.562 120.570 0.043 0.000 3.947 590 I HA 0.785 4.956 4.170 0.001 0.000 0.327 590 I C 0.123 176.210 176.117 -0.051 0.000 1.519 590 I CA -1.167 60.119 61.300 -0.023 0.000 1.122 590 I CB 0.300 38.220 38.000 -0.132 0.000 1.146 590 I HN 0.222 nan 8.210 nan 0.000 0.442 591 A N 2.425 125.216 122.820 -0.048 0.000 2.518 591 A HA 0.371 4.691 4.320 0.001 0.000 0.295 591 A C 0.010 177.517 177.584 -0.129 0.000 1.052 591 A CA -0.672 51.319 52.037 -0.077 0.000 0.824 591 A CB 0.601 19.565 19.000 -0.059 0.000 1.325 591 A HN 0.293 nan 8.150 nan 0.000 0.394 592 N N 1.518 120.144 118.700 -0.123 0.000 2.325 592 N HA -0.001 4.740 4.740 0.001 0.000 0.182 592 N C 0.271 175.657 175.510 -0.207 0.000 1.088 592 N CA 0.068 53.037 53.050 -0.134 0.000 0.879 592 N CB 0.183 38.625 38.487 -0.075 0.000 0.983 592 N HN 0.723 nan 8.380 nan 0.000 0.471 593 E N 3.621 123.668 120.200 -0.255 0.000 2.900 593 E HA -0.014 4.336 4.350 0.001 0.000 0.259 593 E C -2.227 174.126 176.600 -0.412 0.000 0.918 593 E CA -0.723 55.511 56.400 -0.277 0.000 0.960 593 E CB 0.495 30.055 29.700 -0.234 0.000 0.908 593 E HN 0.295 nan 8.360 nan 0.000 0.511 594 P HA 0.141 nan 4.420 nan 0.000 0.288 594 P C -0.624 176.414 177.300 -0.437 0.000 1.267 594 P CA -0.450 62.487 63.100 -0.271 0.000 0.815 594 P CB 0.727 32.328 31.700 -0.166 0.000 0.989 595 L N 3.881 124.992 121.223 -0.187 0.000 2.540 595 L HA -0.003 4.338 4.340 0.001 0.000 0.276 595 L C 1.750 178.463 176.870 -0.262 0.000 1.212 595 L CA 0.115 54.905 54.840 -0.083 0.000 0.893 595 L CB -0.205 41.925 42.059 0.118 0.000 1.138 595 L HN 0.472 nan 8.230 nan 0.000 0.491 596 H N 2.622 121.706 119.070 0.022 0.000 2.551 596 H HA 0.175 4.732 4.556 0.001 0.000 0.271 596 H C -0.609 174.358 175.328 -0.601 0.000 0.984 596 H CA 0.166 56.034 56.048 -0.299 0.000 1.164 596 H CB 0.083 29.570 29.762 -0.459 0.000 1.437 596 H HN 0.408 nan 8.280 nan 0.000 0.550 597 Y N 0.179 120.448 120.300 -0.052 0.000 2.524 597 Y HA 0.184 4.734 4.550 0.001 0.000 0.344 597 Y C 0.350 176.087 175.900 -0.271 0.000 1.012 597 Y CA -1.350 56.476 58.100 -0.458 0.000 1.068 597 Y CB 1.318 39.011 38.460 -1.279 0.000 1.249 597 Y HN -0.132 nan 8.280 nan 0.000 0.468 598 D N 1.527 121.829 120.400 -0.164 0.000 2.416 598 D HA 0.014 4.655 4.640 0.001 0.000 0.240 598 D C -0.086 176.295 176.300 0.135 0.000 1.250 598 D CA 0.175 54.208 54.000 0.054 0.000 0.967 598 D CB 0.079 40.929 40.800 0.083 0.000 1.059 598 D HN 0.524 nan 8.370 nan 0.000 0.512 599 W N 1.843 123.248 121.300 0.176 0.000 2.476 599 W HA -0.008 4.652 4.660 0.001 0.000 0.281 599 W C 2.067 178.696 176.519 0.183 0.000 1.230 599 W CA -0.042 57.442 57.345 0.231 0.000 1.287 599 W CB 0.291 29.874 29.460 0.205 0.000 1.108 599 W HN 0.351 nan 8.180 nan 0.000 0.567 600 E N 0.223 120.620 120.200 0.328 0.000 2.072 600 E HA -0.152 4.198 4.350 0.001 0.000 0.191 600 E C 2.238 178.943 176.600 0.175 0.000 0.985 600 E CA 1.386 57.919 56.400 0.222 0.000 0.801 600 E CB -0.965 28.837 29.700 0.171 0.000 0.750 600 E HN 0.237 nan 8.360 nan 0.000 0.452 601 A N 1.742 124.656 122.820 0.157 0.000 1.851 601 A HA -0.194 4.126 4.320 0.001 0.000 0.216 601 A C 2.326 179.984 177.584 0.123 0.000 1.195 601 A CA 1.637 53.750 52.037 0.126 0.000 0.622 601 A CB -0.872 18.198 19.000 0.116 0.000 0.831 601 A HN 0.254 nan 8.150 nan 0.000 0.444 602 L N -0.142 121.157 121.223 0.126 0.000 2.042 602 L HA -0.186 4.155 4.340 0.001 0.000 0.210 602 L C 2.521 179.473 176.870 0.137 0.000 1.076 602 L CA 2.494 57.379 54.840 0.076 0.000 0.749 602 L CB -0.512 41.537 42.059 -0.017 0.000 0.893 602 L HN 0.494 nan 8.230 nan 0.000 0.432 603 R N -0.662 119.961 120.500 0.205 0.000 2.096 603 R HA -0.196 4.145 4.340 0.001 0.000 0.240 603 R C 2.119 178.520 176.300 0.168 0.000 1.139 603 R CA 1.842 58.074 56.100 0.219 0.000 0.952 603 R CB -0.236 30.197 30.300 0.222 0.000 0.854 603 R HN 0.434 nan 8.270 nan 0.000 0.436 604 E N 0.101 120.384 120.200 0.138 0.000 2.051 604 E HA -0.140 4.210 4.350 0.001 0.000 0.192 604 E C 1.984 178.649 176.600 0.108 0.000 0.991 604 E CA 1.149 57.614 56.400 0.108 0.000 0.799 604 E CB -0.482 29.274 29.700 0.093 0.000 0.748 604 E HN 0.229 nan 8.360 nan 0.000 0.449 605 S N 0.310 116.087 115.700 0.128 0.000 2.383 605 S HA -0.108 4.362 4.470 0.001 0.000 0.229 605 S C 2.046 176.746 174.600 0.167 0.000 1.030 605 S CA 0.705 59.015 58.200 0.183 0.000 1.002 605 S CB -0.164 63.110 63.200 0.124 0.000 0.829 605 S HN 0.152 nan 8.310 nan 0.000 0.467 606 I N 0.929 121.574 120.570 0.126 0.000 2.110 606 I HA -0.179 3.991 4.170 0.001 0.000 0.236 606 I C 2.679 178.903 176.117 0.179 0.000 1.068 606 I CA 1.213 62.596 61.300 0.138 0.000 1.333 606 I CB -0.373 37.756 38.000 0.216 0.000 1.054 606 I HN 0.200 nan 8.210 nan 0.000 0.402 607 K N 0.211 120.726 120.400 0.192 0.000 2.107 607 K HA -0.233 4.088 4.320 0.001 0.000 0.211 607 K C 2.122 178.771 176.600 0.082 0.000 1.049 607 K CA 2.335 58.725 56.287 0.172 0.000 0.927 607 K CB -0.293 32.279 32.500 0.121 0.000 0.714 607 K HN 0.377 nan 8.250 nan 0.000 0.452 608 T N -0.370 114.166 114.554 -0.031 0.000 2.770 608 T HA -0.060 4.290 4.350 0.001 0.000 0.258 608 T C 1.455 175.936 174.700 -0.365 0.000 1.039 608 T CA 0.960 62.920 62.100 -0.233 0.000 1.143 608 T CB -0.117 68.505 68.868 -0.409 0.000 0.866 608 T HN 0.347 nan 8.240 nan 0.000 0.428 609 H N 0.083 119.125 119.070 -0.047 0.000 2.622 609 H HA 0.409 4.965 4.556 0.001 0.000 0.269 609 H C 1.535 176.716 175.328 -0.245 0.000 0.977 609 H CA 0.425 56.408 56.048 -0.107 0.000 1.179 609 H CB 0.106 29.811 29.762 -0.095 0.000 1.458 609 H HN 0.510 nan 8.280 nan 0.000 0.531 610 G N 1.415 110.060 108.800 -0.259 0.000 2.750 610 G HA2 -0.261 3.699 3.960 0.001 0.000 0.228 610 G HA3 -0.261 3.699 3.960 0.001 0.000 0.228 610 G C -0.667 173.740 174.900 -0.821 0.000 1.367 610 G CA -0.393 44.141 45.100 -0.943 0.000 0.871 610 G HN 0.208 nan 8.290 nan 0.000 0.560 611 L N -0.214 120.233 121.223 -1.294 0.000 2.334 611 L HA 0.596 4.936 4.340 0.001 0.000 0.276 611 L C 1.552 178.236 176.870 -0.309 0.000 1.014 611 L CA -0.861 53.693 54.840 -0.476 0.000 0.815 611 L CB 1.869 43.825 42.059 -0.171 0.000 1.268 611 L HN 0.761 nan 8.230 nan 0.000 0.428 612 R N 2.092 122.482 120.500 -0.183 0.000 2.075 612 R HA -0.024 4.317 4.340 0.001 0.000 0.232 612 R C -0.133 176.135 176.300 -0.054 0.000 1.126 612 R CA 1.351 57.385 56.100 -0.111 0.000 0.963 612 R CB -0.053 30.196 30.300 -0.085 0.000 0.858 612 R HN 0.704 nan 8.270 nan 0.000 0.435 613 N N -0.877 117.794 118.700 -0.047 0.000 2.362 613 N HA 0.210 4.951 4.740 0.001 0.000 0.298 613 N C -0.376 175.147 175.510 0.021 0.000 1.048 613 N CA -0.308 52.739 53.050 -0.005 0.000 0.858 613 N CB 2.170 40.647 38.487 -0.016 0.000 1.218 613 N HN -0.115 nan 8.380 nan 0.000 0.488 614 S N -0.244 115.504 115.700 0.080 0.000 2.453 614 S HA -0.027 4.443 4.470 0.001 0.000 0.231 614 S C 0.713 175.305 174.600 -0.013 0.000 1.005 614 S CA 0.735 58.975 58.200 0.067 0.000 0.949 614 S CB -0.157 63.125 63.200 0.136 0.000 0.774 614 S HN 0.836 nan 8.310 nan 0.000 0.510 615 T N -1.701 112.877 114.554 0.040 0.000 2.933 615 T HA 0.702 5.053 4.350 0.001 0.000 0.305 615 T C -0.015 174.713 174.700 0.046 0.000 1.092 615 T CA -0.752 61.386 62.100 0.063 0.000 1.008 615 T CB 1.611 70.555 68.868 0.126 0.000 1.102 615 T HN -0.079 nan 8.240 nan 0.000 0.469 616 L N 1.563 122.817 121.223 0.052 0.000 2.806 616 L HA 0.385 4.725 4.340 0.001 0.000 0.242 616 L C 0.980 177.881 176.870 0.051 0.000 1.068 616 L CA 0.078 54.941 54.840 0.038 0.000 0.923 616 L CB 0.639 42.713 42.059 0.025 0.000 1.364 616 L HN 0.925 nan 8.230 nan 0.000 0.511 617 S N -0.107 115.641 115.700 0.079 0.000 2.532 617 S HA 0.897 5.367 4.470 0.001 0.000 0.301 617 S C -0.466 174.170 174.600 0.060 0.000 1.083 617 S CA -0.217 58.031 58.200 0.081 0.000 1.025 617 S CB 2.512 65.798 63.200 0.143 0.000 1.056 617 S HN 0.135 nan 8.310 nan 0.000 0.494 618 A N 2.483 125.327 122.820 0.040 0.000 2.512 618 A HA 0.539 4.859 4.320 0.001 0.000 0.294 618 A C -1.103 176.487 177.584 0.010 0.000 1.054 618 A CA -0.779 51.269 52.037 0.018 0.000 0.756 618 A CB 0.704 19.705 19.000 0.002 0.000 1.293 618 A HN 0.877 nan 8.150 nan 0.000 0.395 619 L N 4.650 125.876 121.223 0.005 0.000 2.282 619 L HA 0.398 4.739 4.340 0.001 0.000 0.287 619 L C 0.473 177.335 176.870 -0.013 0.000 1.075 619 L CA -0.529 54.315 54.840 0.008 0.000 0.839 619 L CB 0.608 42.662 42.059 -0.008 0.000 1.219 619 L HN 0.810 nan 8.230 nan 0.000 0.434 620 M N 3.648 123.244 119.600 -0.007 0.000 2.368 620 M HA 0.676 5.157 4.480 0.001 0.000 0.311 620 M C -2.677 173.640 176.300 0.030 0.000 1.168 620 M CA -2.388 52.900 55.300 -0.020 0.000 1.044 620 M CB -0.121 32.471 32.600 -0.014 0.000 1.506 620 M HN 0.047 nan 8.290 nan 0.000 0.475 621 P HA 0.403 nan 4.420 nan 0.000 0.276 621 P C -1.112 176.248 177.300 0.100 0.000 1.261 621 P CA -0.342 62.823 63.100 0.108 0.000 0.800 621 P CB 0.826 32.623 31.700 0.163 0.000 1.066 622 S N -1.847 113.923 115.700 0.116 0.000 2.392 622 S HA 0.204 4.675 4.470 0.001 0.000 0.246 622 S C 0.335 174.996 174.600 0.101 0.000 0.999 622 S CA -0.564 57.698 58.200 0.103 0.000 1.059 622 S CB 0.917 64.173 63.200 0.093 0.000 1.194 622 S HN 0.412 nan 8.310 nan 0.000 0.421 623 E N 3.344 123.602 120.200 0.097 0.000 2.014 623 E HA -0.005 4.345 4.350 0.001 0.000 0.190 623 E C 1.673 178.307 176.600 0.057 0.000 0.980 623 E CA 2.180 58.626 56.400 0.077 0.000 0.807 623 E CB -0.468 29.278 29.700 0.077 0.000 0.770 623 E HN 0.751 nan 8.360 nan 0.000 0.451 624 T N 0.501 115.094 114.554 0.065 0.000 2.595 624 T HA -0.218 4.132 4.350 0.001 0.000 0.264 624 T C 2.074 176.798 174.700 0.040 0.000 1.058 624 T CA 2.065 64.195 62.100 0.049 0.000 1.166 624 T CB -0.828 68.104 68.868 0.107 0.000 0.863 624 T HN 0.258 nan 8.240 nan 0.000 0.415 625 S N 2.235 117.997 115.700 0.104 0.000 2.368 625 S HA -0.194 4.277 4.470 0.001 0.000 0.226 625 S C 2.404 177.047 174.600 0.073 0.000 1.044 625 S CA 1.602 59.879 58.200 0.129 0.000 1.062 625 S CB -0.974 62.315 63.200 0.148 0.000 0.931 625 S HN 0.424 nan 8.310 nan 0.000 0.440 626 S N 1.782 117.521 115.700 0.065 0.000 2.359 626 S HA -0.186 4.285 4.470 0.001 0.000 0.224 626 S C 2.164 176.766 174.600 0.004 0.000 1.035 626 S CA 1.376 59.606 58.200 0.050 0.000 1.018 626 S CB -0.508 62.734 63.200 0.070 0.000 0.876 626 S HN 0.539 nan 8.310 nan 0.000 0.448 627 Q N 0.271 120.065 119.800 -0.010 0.000 2.096 627 Q HA -0.105 4.236 4.340 0.001 0.000 0.204 627 Q C 2.197 178.145 176.000 -0.086 0.000 0.982 627 Q CA 1.228 57.002 55.803 -0.047 0.000 0.850 627 Q CB -0.351 28.350 28.738 -0.060 0.000 0.901 627 Q HN 0.500 nan 8.270 nan 0.000 0.422 628 I N 0.508 121.016 120.570 -0.102 0.000 2.208 628 I HA -0.225 3.945 4.170 0.001 0.000 0.245 628 I C 1.616 177.634 176.117 -0.165 0.000 1.097 628 I CA 1.276 62.513 61.300 -0.106 0.000 1.363 628 I CB -0.674 37.272 38.000 -0.091 0.000 1.051 628 I HN 0.082 nan 8.210 nan 0.000 0.413 629 S N 0.858 116.418 115.700 -0.234 0.000 2.671 629 S HA 0.018 4.488 4.470 0.001 0.000 0.220 629 S C 0.628 175.030 174.600 -0.330 0.000 0.951 629 S CA -0.197 57.686 58.200 -0.528 0.000 0.932 629 S CB -0.673 62.397 63.200 -0.216 0.000 0.777 629 S HN 0.496 nan 8.310 nan 0.000 0.508 630 N N 1.866 120.457 118.700 -0.181 0.000 2.650 630 N HA -0.216 4.525 4.740 0.001 0.000 0.272 630 N C -0.515 174.948 175.510 -0.078 0.000 1.058 630 N CA 0.806 53.802 53.050 -0.090 0.000 0.765 630 N CB -1.309 37.154 38.487 -0.040 0.000 0.902 630 N HN 0.630 nan 8.380 nan 0.000 0.551 631 A N 0.541 123.341 122.820 -0.035 0.000 2.515 631 A HA 0.755 5.075 4.320 0.001 0.000 0.296 631 A C 0.321 177.955 177.584 0.084 0.000 1.094 631 A CA -0.103 51.941 52.037 0.012 0.000 0.718 631 A CB 0.789 19.811 19.000 0.036 0.000 1.307 631 A HN 0.703 nan 8.150 nan 0.000 0.408 632 T N -0.311 114.343 114.554 0.167 0.000 2.926 632 T HA 0.304 4.655 4.350 0.001 0.000 0.307 632 T C 0.042 174.861 174.700 0.197 0.000 1.059 632 T CA -0.226 61.995 62.100 0.200 0.000 1.122 632 T CB -0.316 68.739 68.868 0.312 0.000 0.972 632 T HN 0.587 nan 8.240 nan 0.000 0.545 633 N N 1.501 120.303 118.700 0.171 0.000 2.488 633 N HA 0.469 5.210 4.740 0.001 0.000 0.274 633 N C 1.430 177.065 175.510 0.210 0.000 1.111 633 N CA -0.034 53.113 53.050 0.161 0.000 0.974 633 N CB 0.629 39.194 38.487 0.130 0.000 1.089 633 N HN 1.031 nan 8.380 nan 0.000 0.465 634 G N 2.352 111.266 108.800 0.190 0.000 2.672 634 G HA2 -0.370 3.590 3.960 0.001 0.000 0.356 634 G HA3 -0.370 3.590 3.960 0.001 0.000 0.356 634 G C 0.773 175.847 174.900 0.291 0.000 1.312 634 G CA 1.227 46.446 45.100 0.199 0.000 0.980 634 G HN 0.786 nan 8.290 nan 0.000 0.540 635 I N -1.682 119.065 120.570 0.294 0.000 3.956 635 I HA 0.446 4.616 4.170 0.001 0.000 0.333 635 I C 0.104 176.610 176.117 0.648 0.000 1.302 635 I CA -0.025 61.546 61.300 0.452 0.000 1.122 635 I CB 0.310 38.411 38.000 0.168 0.000 1.013 635 I HN 0.031 nan 8.210 nan 0.000 0.405 636 E N 4.275 124.741 120.200 0.444 0.000 2.338 636 E HA 0.311 4.662 4.350 0.001 0.000 0.272 636 E C -2.254 174.483 176.600 0.227 0.000 1.029 636 E CA -2.622 53.972 56.400 0.323 0.000 0.872 636 E CB 0.229 30.028 29.700 0.166 0.000 1.015 636 E HN 0.130 nan 8.360 nan 0.000 0.417 637 P HA 0.101 nan 4.420 nan 0.000 0.268 637 P C -2.457 174.766 177.300 -0.129 0.000 1.205 637 P CA -1.117 61.861 63.100 -0.204 0.000 0.771 637 P CB -0.339 30.941 31.700 -0.701 0.000 0.858 638 P HA 0.219 nan 4.420 nan 0.000 0.271 638 P C 1.014 178.199 177.300 -0.193 0.000 1.218 638 P CA -0.153 62.883 63.100 -0.107 0.000 0.780 638 P CB 0.849 32.469 31.700 -0.135 0.000 0.901 639 R N 1.050 121.451 120.500 -0.164 0.000 2.075 639 R HA 0.087 4.427 4.340 0.001 0.000 0.232 639 R C 1.160 177.376 176.300 -0.141 0.000 1.126 639 R CA 1.770 57.775 56.100 -0.158 0.000 0.963 639 R CB -0.290 29.980 30.300 -0.049 0.000 0.858 639 R HN 0.760 nan 8.270 nan 0.000 0.435 640 G N -3.353 105.345 108.800 -0.170 0.000 2.663 640 G HA2 0.211 4.171 3.960 0.001 0.000 0.299 640 G HA3 0.211 4.171 3.960 0.001 0.000 0.299 640 G C -0.820 173.912 174.900 -0.279 0.000 1.372 640 G CA -0.672 44.269 45.100 -0.266 0.000 0.781 640 G HN 0.072 nan 8.290 nan 0.000 0.491 641 Y N -0.928 119.344 120.300 -0.047 0.000 2.457 641 Y HA 0.266 4.816 4.550 0.001 0.000 0.292 641 Y C 1.274 177.087 175.900 -0.145 0.000 1.125 641 Y CA 0.204 58.245 58.100 -0.099 0.000 1.254 641 Y CB 0.148 38.572 38.460 -0.059 0.000 1.012 641 Y HN 0.099 nan 8.280 nan 0.000 0.555 642 V N 0.737 120.656 119.914 0.009 0.000 2.444 642 V HA 0.384 4.504 4.120 0.001 0.000 0.294 642 V C -0.232 175.847 176.094 -0.024 0.000 1.022 642 V CA -1.139 61.143 62.300 -0.030 0.000 0.850 642 V CB 1.532 33.324 31.823 -0.051 0.000 0.992 642 V HN 0.143 nan 8.190 nan 0.000 0.426 643 S N 5.660 121.347 115.700 -0.022 0.000 2.549 643 S HA 0.831 5.302 4.470 0.001 0.000 0.297 643 S C -0.846 173.748 174.600 -0.010 0.000 1.115 643 S CA -0.579 57.612 58.200 -0.015 0.000 1.059 643 S CB 1.517 64.709 63.200 -0.014 0.000 1.046 643 S HN 0.460 nan 8.310 nan 0.000 0.506 644 I N 2.193 122.760 120.570 -0.005 0.000 2.441 644 I HA 0.559 4.730 4.170 0.001 0.000 0.295 644 I C -0.184 175.933 176.117 0.000 0.000 0.994 644 I CA -0.421 60.878 61.300 -0.001 0.000 1.144 644 I CB 2.019 40.018 38.000 -0.001 0.000 1.314 644 I HN 0.677 nan 8.210 nan 0.000 0.445 645 K N 4.417 124.817 120.400 0.001 0.000 2.318 645 K HA 0.873 5.193 4.320 0.001 0.000 0.249 645 K C -1.017 175.585 176.600 0.003 0.000 0.942 645 K CA -0.493 55.793 56.287 -0.001 0.000 0.808 645 K CB 1.911 34.404 32.500 -0.012 0.000 1.189 645 K HN 0.611 nan 8.250 nan 0.000 0.428 646 A N 1.295 124.117 122.820 0.003 0.000 2.282 646 A HA 0.731 5.052 4.320 0.001 0.000 0.319 646 A C -0.559 177.028 177.584 0.005 0.000 1.121 646 A CA -0.047 51.994 52.037 0.007 0.000 0.836 646 A CB 0.869 19.873 19.000 0.007 0.000 1.146 646 A HN 0.760 nan 8.150 nan 0.000 0.494 647 S N -0.414 115.292 115.700 0.010 0.000 2.661 647 S HA 0.486 4.956 4.470 0.001 0.000 0.268 647 S C -0.223 174.386 174.600 0.016 0.000 1.162 647 S CA -0.284 57.921 58.200 0.009 0.000 0.817 647 S CB 0.759 63.964 63.200 0.008 0.000 1.141 647 S HN 0.522 nan 8.310 nan 0.000 0.477 648 K N 0.639 121.049 120.400 0.017 0.000 2.323 648 K HA 0.329 4.649 4.320 0.001 0.000 0.197 648 K C 0.394 177.012 176.600 0.031 0.000 1.043 648 K CA 0.615 56.915 56.287 0.021 0.000 0.997 648 K CB -0.004 32.508 32.500 0.019 0.000 0.807 648 K HN 0.478 nan 8.250 nan 0.000 0.497 649 D N 0.819 121.243 120.400 0.040 0.000 2.319 649 D HA 0.143 4.784 4.640 0.001 0.000 0.230 649 D C 0.705 177.047 176.300 0.070 0.000 1.094 649 D CA 0.672 54.709 54.000 0.062 0.000 0.856 649 D CB 0.455 41.303 40.800 0.081 0.000 0.915 649 D HN 0.289 nan 8.370 nan 0.000 0.517 650 G N 1.007 109.838 108.800 0.050 0.000 2.466 650 G HA2 -0.175 3.785 3.960 0.001 0.000 0.316 650 G HA3 -0.175 3.785 3.960 0.001 0.000 0.316 650 G C -0.727 174.201 174.900 0.046 0.000 1.270 650 G CA -0.957 44.169 45.100 0.044 0.000 0.982 650 G HN 0.151 nan 8.290 nan 0.000 0.506 651 I N 1.446 122.039 120.570 0.039 0.000 2.352 651 I HA 0.339 4.509 4.170 0.001 0.000 0.290 651 I C 0.499 176.653 176.117 0.063 0.000 1.036 651 I CA -0.306 61.014 61.300 0.034 0.000 1.336 651 I CB 0.652 38.660 38.000 0.013 0.000 1.407 651 I HN 0.348 nan 8.210 nan 0.000 0.497 652 L N 7.145 128.403 121.223 0.058 0.000 2.264 652 L HA 0.560 4.901 4.340 0.001 0.000 0.289 652 L C 0.082 176.980 176.870 0.046 0.000 1.044 652 L CA -0.583 54.308 54.840 0.084 0.000 0.807 652 L CB 0.530 42.601 42.059 0.020 0.000 1.192 652 L HN 0.567 nan 8.230 nan 0.000 0.425 653 R N 2.452 122.987 120.500 0.058 0.000 2.604 653 R HA 0.513 4.853 4.340 0.001 0.000 0.287 653 R C -0.818 175.491 176.300 0.014 0.000 0.970 653 R CA -0.629 55.482 56.100 0.019 0.000 0.946 653 R CB 2.273 32.575 30.300 0.002 0.000 1.127 653 R HN 0.602 nan 8.270 nan 0.000 0.473 654 Q N 2.314 122.107 119.800 -0.011 0.000 2.263 654 Q HA 0.279 4.619 4.340 0.001 0.000 0.266 654 Q C -1.541 174.441 176.000 -0.029 0.000 1.002 654 Q CA -0.626 55.162 55.803 -0.024 0.000 0.790 654 Q CB 2.056 30.778 28.738 -0.027 0.000 1.272 654 Q HN 0.377 nan 8.270 nan 0.000 0.435 655 V N 3.934 123.826 119.914 -0.036 0.000 2.546 655 V HA 0.231 4.352 4.120 0.001 0.000 0.284 655 V C 0.719 176.830 176.094 0.029 0.000 1.050 655 V CA -0.653 61.627 62.300 -0.033 0.000 0.981 655 V CB 0.938 32.729 31.823 -0.053 0.000 0.990 655 V HN 0.677 nan 8.190 nan 0.000 0.474 656 V N 3.344 123.288 119.914 0.051 0.000 2.928 656 V HA 0.176 4.296 4.120 0.001 0.000 0.307 656 V C -2.188 174.049 176.094 0.237 0.000 1.105 656 V CA -1.363 60.989 62.300 0.086 0.000 1.223 656 V CB -0.631 31.127 31.823 -0.109 0.000 0.930 656 V HN 0.757 nan 8.190 nan 0.000 0.499 657 P HA 0.134 nan 4.420 nan 0.000 0.264 657 P C 0.080 177.661 177.300 0.469 0.000 1.193 657 P CA 0.660 63.877 63.100 0.196 0.000 0.763 657 P CB 0.077 31.609 31.700 -0.280 0.000 0.810 658 D N 1.687 122.324 120.400 0.394 0.000 2.708 658 D HA -0.274 4.366 4.640 0.001 0.000 0.236 658 D C 0.333 176.909 176.300 0.460 0.000 1.146 658 D CA 0.615 54.880 54.000 0.442 0.000 0.662 658 D CB -1.502 39.591 40.800 0.488 0.000 1.059 658 D HN 0.484 nan 8.370 nan 0.000 0.428 659 Y N 0.408 120.894 120.300 0.310 0.000 2.181 659 Y HA -0.175 4.375 4.550 0.001 0.000 0.288 659 Y C 2.169 178.189 175.900 0.200 0.000 1.146 659 Y CA 2.516 60.775 58.100 0.266 0.000 1.164 659 Y CB -0.204 38.328 38.460 0.120 0.000 0.982 659 Y HN 0.320 nan 8.280 nan 0.000 0.515 660 E N -0.431 119.870 120.200 0.169 0.000 2.082 660 E HA -0.362 3.988 4.350 0.001 0.000 0.215 660 E C 1.714 178.152 176.600 -0.270 0.000 1.048 660 E CA 2.579 58.921 56.400 -0.096 0.000 0.869 660 E CB -0.394 29.184 29.700 -0.203 0.000 0.773 660 E HN 0.767 nan 8.360 nan 0.000 0.466 661 H N -1.355 117.720 119.070 0.008 0.000 2.525 661 H HA 0.185 4.742 4.556 0.001 0.000 0.275 661 H C 1.185 176.396 175.328 -0.195 0.000 0.984 661 H CA 0.810 56.807 56.048 -0.086 0.000 1.264 661 H CB 0.351 30.077 29.762 -0.060 0.000 1.432 661 H HN 0.146 nan 8.280 nan 0.000 0.549 662 L N 1.411 122.615 121.223 -0.032 0.000 2.728 662 L HA 0.053 4.393 4.340 0.001 0.000 0.238 662 L C 1.890 178.710 176.870 -0.084 0.000 1.143 662 L CA -0.150 54.615 54.840 -0.126 0.000 0.937 662 L CB -0.106 41.866 42.059 -0.145 0.000 1.225 662 L HN 0.499 nan 8.230 nan 0.000 0.507 663 H N -0.594 118.357 119.070 -0.199 0.000 2.321 663 H HA -0.207 4.350 4.556 0.001 0.000 0.295 663 H C 0.683 176.037 175.328 0.043 0.000 1.102 663 H CA 1.792 57.669 56.048 -0.286 0.000 1.266 663 H CB -0.405 28.731 29.762 -1.043 0.000 1.363 663 H HN 0.336 nan 8.280 nan 0.000 0.492 664 D N 1.245 121.433 120.400 -0.354 0.000 2.269 664 D HA 0.052 4.692 4.640 0.001 0.000 0.208 664 D C 2.260 178.552 176.300 -0.013 0.000 0.963 664 D CA 1.061 55.015 54.000 -0.077 0.000 0.864 664 D CB -0.147 40.566 40.800 -0.145 0.000 0.936 664 D HN 0.579 nan 8.370 nan 0.000 0.505 665 A N 0.155 122.929 122.820 -0.076 0.000 1.930 665 A HA -0.079 4.241 4.320 0.001 0.000 0.215 665 A C 0.737 178.312 177.584 -0.015 0.000 1.176 665 A CA 0.364 52.344 52.037 -0.095 0.000 0.632 665 A CB -0.510 18.355 19.000 -0.224 0.000 0.819 665 A HN 0.080 nan 8.150 nan 0.000 0.445 666 Y N 0.104 120.474 120.300 0.115 0.000 2.511 666 Y HA 0.246 4.796 4.550 0.001 0.000 0.347 666 Y C 0.804 176.790 175.900 0.144 0.000 1.257 666 Y CA 0.761 58.965 58.100 0.173 0.000 1.469 666 Y CB 0.361 38.999 38.460 0.297 0.000 1.353 666 Y HN 0.416 nan 8.280 nan 0.000 0.617 667 E N 2.786 123.177 120.200 0.319 0.000 2.267 667 E HA 0.367 4.717 4.350 0.001 0.000 0.248 667 E C -1.578 175.063 176.600 0.068 0.000 0.899 667 E CA -0.427 56.080 56.400 0.179 0.000 0.764 667 E CB 0.244 30.051 29.700 0.178 0.000 1.227 667 E HN 0.579 nan 8.360 nan 0.000 0.421 668 L N 4.242 125.461 121.223 -0.008 0.000 2.467 668 L HA 0.056 4.397 4.340 0.001 0.000 0.270 668 L C 1.727 178.471 176.870 -0.210 0.000 1.205 668 L CA -0.298 54.456 54.840 -0.144 0.000 0.828 668 L CB 0.243 42.175 42.059 -0.211 0.000 1.101 668 L HN 0.724 nan 8.230 nan 0.000 0.479 669 L N 1.684 122.689 121.223 -0.365 0.000 2.021 669 L HA -0.213 4.127 4.340 0.001 0.000 0.215 669 L C 1.563 178.061 176.870 -0.620 0.000 1.074 669 L CA 2.058 56.527 54.840 -0.618 0.000 0.760 669 L CB -0.349 41.193 42.059 -0.863 0.000 0.889 669 L HN 0.570 nan 8.230 nan 0.000 0.433 670 W N -0.164 121.082 121.300 -0.089 0.000 3.405 670 W HA 0.132 4.793 4.660 0.001 0.000 0.300 670 W C 1.865 178.362 176.519 -0.037 0.000 1.286 670 W CA -0.058 57.253 57.345 -0.058 0.000 1.762 670 W CB -0.083 29.353 29.460 -0.040 0.000 1.087 670 W HN 0.251 nan 8.180 nan 0.000 0.703 671 E N 0.149 120.398 120.200 0.082 0.000 2.340 671 E HA 0.047 4.398 4.350 0.001 0.000 0.194 671 E C 0.776 177.409 176.600 0.055 0.000 0.996 671 E CA 0.233 56.679 56.400 0.076 0.000 0.869 671 E CB -0.010 29.725 29.700 0.059 0.000 0.835 671 E HN 0.265 nan 8.360 nan 0.000 0.493 672 M N 2.292 121.897 119.600 0.009 0.000 2.219 672 M HA 0.054 4.535 4.480 0.001 0.000 0.353 672 M C -1.771 174.557 176.300 0.047 0.000 1.304 672 M CA -1.387 53.921 55.300 0.014 0.000 1.115 672 M CB 0.416 32.988 32.600 -0.046 0.000 1.664 672 M HN -0.204 nan 8.290 nan 0.000 0.459 673 P HA 0.032 nan 4.420 nan 0.000 0.223 673 P C 0.406 177.741 177.300 0.059 0.000 1.151 673 P CA 0.641 63.772 63.100 0.050 0.000 0.787 673 P CB 0.334 32.059 31.700 0.042 0.000 0.788 674 G N -1.550 107.286 108.800 0.061 0.000 2.427 674 G HA2 0.075 4.035 3.960 0.001 0.000 0.306 674 G HA3 0.075 4.035 3.960 0.001 0.000 0.306 674 G C -0.397 174.522 174.900 0.032 0.000 1.280 674 G CA -0.431 44.712 45.100 0.071 0.000 0.837 674 G HN -0.194 nan 8.290 nan 0.000 0.482 675 N N -0.216 118.508 118.700 0.040 0.000 2.336 675 N HA 0.044 4.784 4.740 0.001 0.000 0.189 675 N C 0.850 176.460 175.510 0.166 0.000 1.113 675 N CA 0.671 53.756 53.050 0.060 0.000 0.858 675 N CB 0.692 39.192 38.487 0.022 0.000 0.970 675 N HN 0.493 nan 8.380 nan 0.000 0.471 676 D N 0.980 121.476 120.400 0.160 0.000 2.097 676 D HA -0.103 4.538 4.640 0.001 0.000 0.195 676 D C 2.122 178.509 176.300 0.144 0.000 0.989 676 D CA 1.418 55.521 54.000 0.172 0.000 0.827 676 D CB -0.380 40.516 40.800 0.160 0.000 0.966 676 D HN 0.194 nan 8.370 nan 0.000 0.456 677 G N 0.159 109.044 108.800 0.143 0.000 2.631 677 G HA2 -0.394 3.566 3.960 0.001 0.000 0.219 677 G HA3 -0.394 3.566 3.960 0.001 0.000 0.219 677 G C 1.530 176.548 174.900 0.198 0.000 1.214 677 G CA 1.341 46.529 45.100 0.146 0.000 0.785 677 G HN 0.358 nan 8.290 nan 0.000 0.596 678 Y N 1.192 121.572 120.300 0.134 0.000 2.163 678 Y HA 0.004 4.554 4.550 0.001 0.000 0.288 678 Y C 2.696 178.661 175.900 0.108 0.000 1.136 678 Y CA 1.501 59.713 58.100 0.186 0.000 1.147 678 Y CB -0.307 38.255 38.460 0.170 0.000 0.987 678 Y HN 0.125 nan 8.280 nan 0.000 0.509 679 L N 0.138 121.538 121.223 0.294 0.000 2.042 679 L HA -0.309 4.032 4.340 0.001 0.000 0.210 679 L C 2.602 179.445 176.870 -0.045 0.000 1.076 679 L CA 1.763 56.692 54.840 0.149 0.000 0.749 679 L CB -0.796 41.419 42.059 0.260 0.000 0.893 679 L HN 0.347 nan 8.230 nan 0.000 0.432 680 Q N -0.060 119.658 119.800 -0.136 0.000 2.045 680 Q HA -0.248 4.092 4.340 0.001 0.000 0.206 680 Q C 2.375 178.213 176.000 -0.270 0.000 0.991 680 Q CA 1.635 57.203 55.803 -0.392 0.000 0.851 680 Q CB -0.264 28.249 28.738 -0.374 0.000 0.911 680 Q HN 0.538 nan 8.270 nan 0.000 0.418 681 L N -0.148 120.971 121.223 -0.173 0.000 2.083 681 L HA -0.176 4.165 4.340 0.001 0.000 0.209 681 L C 2.369 179.060 176.870 -0.298 0.000 1.083 681 L CA 0.709 55.444 54.840 -0.176 0.000 0.752 681 L CB -0.496 41.519 42.059 -0.073 0.000 0.899 681 L HN 0.122 nan 8.230 nan 0.000 0.433 682 V N 0.287 119.991 119.914 -0.351 0.000 2.358 682 V HA -0.176 3.944 4.120 0.001 0.000 0.246 682 V C 2.651 178.600 176.094 -0.241 0.000 1.047 682 V CA 1.921 64.012 62.300 -0.348 0.000 1.035 682 V CB -1.075 30.554 31.823 -0.323 0.000 0.658 682 V HN 0.555 nan 8.190 nan 0.000 0.452 683 G N -0.022 108.673 108.800 -0.175 0.000 2.446 683 G HA2 -0.236 3.724 3.960 0.001 0.000 0.217 683 G HA3 -0.236 3.724 3.960 0.001 0.000 0.217 683 G C 1.582 176.378 174.900 -0.173 0.000 1.168 683 G CA 1.105 46.132 45.100 -0.123 0.000 0.771 683 G HN 0.483 nan 8.290 nan 0.000 0.551 684 I N 0.418 120.868 120.570 -0.201 0.000 2.163 684 I HA -0.225 3.945 4.170 0.001 0.000 0.243 684 I C 2.959 178.962 176.117 -0.189 0.000 1.085 684 I CA 1.263 62.468 61.300 -0.158 0.000 1.347 684 I CB -0.197 37.761 38.000 -0.071 0.000 1.044 684 I HN 0.173 nan 8.210 nan 0.000 0.408 685 M N -0.400 118.978 119.600 -0.371 0.000 2.149 685 M HA -0.265 4.215 4.480 0.001 0.000 0.261 685 M C 2.313 178.462 176.300 -0.253 0.000 1.064 685 M CA 1.662 56.600 55.300 -0.603 0.000 1.102 685 M CB -0.388 31.597 32.600 -1.025 0.000 1.369 685 M HN 0.130 nan 8.290 nan 0.000 0.408 686 Q N 0.883 120.567 119.800 -0.192 0.000 2.364 686 Q HA -0.142 4.198 4.340 0.001 0.000 0.207 686 Q C 1.700 177.718 176.000 0.031 0.000 0.970 686 Q CA 1.494 57.258 55.803 -0.066 0.000 0.888 686 Q CB -0.217 28.492 28.738 -0.048 0.000 0.951 686 Q HN 0.425 nan 8.270 nan 0.000 0.469 687 K N -1.028 119.282 120.400 -0.149 0.000 2.032 687 K HA -0.157 4.163 4.320 0.001 0.000 0.209 687 K C 1.076 177.442 176.600 -0.389 0.000 1.048 687 K CA 1.766 57.814 56.287 -0.398 0.000 0.927 687 K CB -0.173 31.766 32.500 -0.936 0.000 0.712 687 K HN 0.263 nan 8.250 nan 0.000 0.441 688 F N 0.558 120.508 119.950 -0.001 0.000 2.619 688 F HA 0.207 4.734 4.527 0.001 0.000 0.293 688 F C 0.590 176.449 175.800 0.099 0.000 1.119 688 F CA -0.441 57.597 58.000 0.063 0.000 1.445 688 F CB 0.176 39.237 39.000 0.101 0.000 1.119 688 F HN -0.108 nan 8.300 nan 0.000 0.573 689 I N 1.629 122.312 120.570 0.189 0.000 2.556 689 I HA -0.059 4.111 4.170 0.001 0.000 0.284 689 I C 1.114 177.252 176.117 0.035 0.000 1.114 689 I CA 0.026 61.402 61.300 0.126 0.000 1.418 689 I CB 0.281 38.318 38.000 0.061 0.000 1.394 689 I HN 0.133 nan 8.210 nan 0.000 0.552 690 D N 4.418 124.861 120.400 0.072 0.000 2.097 690 D HA -0.142 4.498 4.640 0.001 0.000 0.195 690 D C 1.416 177.719 176.300 0.004 0.000 0.989 690 D CA 1.584 55.607 54.000 0.038 0.000 0.827 690 D CB 0.470 41.331 40.800 0.103 0.000 0.966 690 D HN 0.624 nan 8.370 nan 0.000 0.456 691 Q N -0.218 119.599 119.800 0.029 0.000 3.050 691 Q HA 0.340 4.680 4.340 0.001 0.000 0.256 691 Q C 0.552 176.551 176.000 -0.002 0.000 1.161 691 Q CA -0.294 55.524 55.803 0.024 0.000 0.329 691 Q CB 0.272 29.028 28.738 0.031 0.000 5.721 691 Q HN -0.082 nan 8.270 nan 0.000 0.326 692 S N -1.123 114.571 115.700 -0.010 0.000 2.811 692 S HA 0.665 5.135 4.470 0.001 0.000 0.311 692 S C -1.446 173.132 174.600 -0.036 0.000 1.152 692 S CA -0.707 57.483 58.200 -0.018 0.000 0.864 692 S CB 0.974 64.163 63.200 -0.018 0.000 1.226 692 S HN 0.312 nan 8.310 nan 0.000 0.541 693 I N 1.242 121.786 120.570 -0.043 0.000 2.545 693 I HA 0.328 4.499 4.170 0.001 0.000 0.292 693 I C -0.328 175.756 176.117 -0.054 0.000 1.040 693 I CA -0.317 60.950 61.300 -0.055 0.000 1.068 693 I CB 2.319 40.273 38.000 -0.077 0.000 1.251 693 I HN 0.405 nan 8.210 nan 0.000 0.424 694 S N 5.089 120.741 115.700 -0.080 0.000 3.900 694 S HA 0.401 4.871 4.470 0.001 0.000 0.248 694 S C 0.251 174.909 174.600 0.098 0.000 1.310 694 S CA -0.530 57.593 58.200 -0.129 0.000 0.915 694 S CB -0.375 62.703 63.200 -0.203 0.000 1.588 694 S HN 0.607 nan 8.310 nan 0.000 0.472 695 A N 3.729 126.640 122.820 0.152 0.000 2.310 695 A HA 0.484 4.804 4.320 0.001 0.000 0.299 695 A C 0.330 178.120 177.584 0.342 0.000 1.147 695 A CA -0.773 51.446 52.037 0.304 0.000 0.818 695 A CB 0.487 19.640 19.000 0.255 0.000 1.096 695 A HN 0.702 nan 8.150 nan 0.000 0.495 696 N N -0.027 118.874 118.700 0.335 0.000 2.443 696 N HA 0.584 5.324 4.740 0.001 0.000 0.293 696 N C -0.544 175.006 175.510 0.066 0.000 1.159 696 N CA -0.373 52.784 53.050 0.180 0.000 0.904 696 N CB 1.798 40.330 38.487 0.076 0.000 1.214 696 N HN 0.755 nan 8.380 nan 0.000 0.513 697 T N -1.082 113.526 114.554 0.089 0.000 2.888 697 T HA 0.547 4.897 4.350 0.001 0.000 0.284 697 T C -0.809 173.832 174.700 -0.098 0.000 1.017 697 T CA -0.944 61.160 62.100 0.007 0.000 1.022 697 T CB 0.984 69.978 68.868 0.209 0.000 1.013 697 T HN 0.461 nan 8.240 nan 0.000 0.465 698 N N 0.899 119.374 118.700 -0.375 0.000 2.371 698 N HA 0.564 5.304 4.740 0.001 0.000 0.291 698 N C -1.889 173.400 175.510 -0.369 0.000 1.053 698 N CA -0.728 52.185 53.050 -0.228 0.000 0.870 698 N CB 1.582 39.848 38.487 -0.367 0.000 1.503 698 N HN 0.640 nan 8.380 nan 0.000 0.485 699 Y N -0.427 120.110 120.300 0.395 0.000 2.477 699 Y HA 0.464 5.015 4.550 0.001 0.000 0.347 699 Y C -0.775 175.325 175.900 0.334 0.000 0.981 699 Y CA -0.987 57.329 58.100 0.360 0.000 1.033 699 Y CB 1.957 40.516 38.460 0.164 0.000 1.245 699 Y HN 0.390 nan 8.280 nan 0.000 0.455 700 D N 3.193 123.862 120.400 0.448 0.000 2.481 700 D HA 0.368 5.008 4.640 0.001 0.000 0.246 700 D C -2.310 174.161 176.300 0.286 0.000 1.109 700 D CA -2.679 51.393 54.000 0.120 0.000 0.845 700 D CB 2.405 43.244 40.800 0.066 0.000 1.160 700 D HN 0.146 nan 8.370 nan 0.000 0.534 701 P HA -0.063 nan 4.420 nan 0.000 0.217 701 P C 1.379 178.804 177.300 0.208 0.000 1.150 701 P CA 0.656 63.877 63.100 0.202 0.000 0.832 701 P CB 0.362 32.092 31.700 0.050 0.000 0.787 702 S N 0.095 115.843 115.700 0.079 0.000 2.381 702 S HA -0.226 4.244 4.470 0.001 0.000 0.230 702 S C 1.739 176.364 174.600 0.042 0.000 1.052 702 S CA 1.335 59.560 58.200 0.042 0.000 1.068 702 S CB -0.820 62.375 63.200 -0.009 0.000 0.918 702 S HN 0.252 nan 8.310 nan 0.000 0.448 703 R N -0.064 120.444 120.500 0.015 0.000 2.357 703 R HA 0.060 4.401 4.340 0.001 0.000 0.202 703 R C -0.634 175.383 176.300 -0.472 0.000 1.047 703 R CA 0.499 56.470 56.100 -0.215 0.000 1.034 703 R CB -0.286 29.816 30.300 -0.331 0.000 0.875 703 R HN 0.342 nan 8.270 nan 0.000 0.473 704 F N 0.792 120.769 119.950 0.045 0.000 2.546 704 F HA 0.354 4.882 4.527 0.001 0.000 0.320 704 F C -1.903 173.912 175.800 0.025 0.000 1.076 704 F CA -3.482 54.543 58.000 0.041 0.000 0.928 704 F CB 1.079 40.105 39.000 0.044 0.000 1.189 704 F HN -0.215 nan 8.300 nan 0.000 0.465 705 P HA 0.022 nan 4.420 nan 0.000 0.264 705 P C 0.052 177.418 177.300 0.110 0.000 1.193 705 P CA 0.479 63.646 63.100 0.113 0.000 0.763 705 P CB 0.963 32.719 31.700 0.093 0.000 0.810 706 S N 1.719 117.463 115.700 0.073 0.000 3.382 706 S HA -0.179 4.291 4.470 0.001 0.000 0.293 706 S C 1.168 175.802 174.600 0.056 0.000 1.262 706 S CA 1.187 59.420 58.200 0.054 0.000 0.969 706 S CB -2.213 61.013 63.200 0.042 0.000 1.136 706 S HN 1.130 nan 8.310 nan 0.000 0.635 707 G N 0.897 109.748 108.800 0.086 0.000 2.258 707 G HA2 -0.348 3.612 3.960 0.001 0.000 0.274 707 G HA3 -0.348 3.612 3.960 0.001 0.000 0.274 707 G C -0.303 174.631 174.900 0.056 0.000 1.021 707 G CA 0.959 46.111 45.100 0.087 0.000 0.798 707 G HN 0.929 nan 8.290 nan 0.000 0.507 708 K N -0.350 120.078 120.400 0.048 0.000 2.426 708 K HA 0.647 4.967 4.320 0.001 0.000 0.254 708 K C -0.140 176.343 176.600 -0.195 0.000 0.936 708 K CA -1.217 55.038 56.287 -0.054 0.000 0.801 708 K CB 2.918 35.395 32.500 -0.038 0.000 1.139 708 K HN 0.047 nan 8.250 nan 0.000 0.424 709 V N 3.097 122.777 119.914 -0.389 0.000 2.521 709 V HA 0.127 4.248 4.120 0.001 0.000 0.286 709 V C -1.850 173.969 176.094 -0.458 0.000 1.034 709 V CA -1.449 60.373 62.300 -0.798 0.000 1.045 709 V CB -0.285 31.073 31.823 -0.775 0.000 0.974 709 V HN 0.726 nan 8.190 nan 0.000 0.480 710 P HA 0.185 nan 4.420 nan 0.000 0.271 710 P C 0.492 177.698 177.300 -0.158 0.000 1.216 710 P CA -0.575 62.434 63.100 -0.152 0.000 0.776 710 P CB 0.653 32.342 31.700 -0.017 0.000 0.881 711 M N 2.201 121.748 119.600 -0.089 0.000 2.296 711 M HA -0.159 4.321 4.480 0.001 0.000 0.265 711 M C 1.871 178.160 176.300 -0.018 0.000 1.064 711 M CA 1.778 57.044 55.300 -0.057 0.000 1.109 711 M CB -0.920 31.668 32.600 -0.019 0.000 1.396 711 M HN 0.311 nan 8.290 nan 0.000 0.430 712 Q N -0.059 119.742 119.800 0.001 0.000 2.020 712 Q HA -0.241 4.100 4.340 0.001 0.000 0.202 712 Q C 2.163 178.196 176.000 0.055 0.000 0.982 712 Q CA 2.302 58.125 55.803 0.033 0.000 0.838 712 Q CB -0.390 28.377 28.738 0.049 0.000 0.899 712 Q HN 0.628 nan 8.270 nan 0.000 0.423 713 Q N -0.224 119.609 119.800 0.055 0.000 2.084 713 Q HA -0.095 4.245 4.340 0.001 0.000 0.202 713 Q C 1.931 177.990 176.000 0.100 0.000 0.978 713 Q CA 1.592 57.471 55.803 0.126 0.000 0.844 713 Q CB -0.378 28.479 28.738 0.198 0.000 0.898 713 Q HN 0.519 nan 8.270 nan 0.000 0.426 714 L N -0.464 120.725 121.223 -0.055 0.000 2.042 714 L HA -0.221 4.119 4.340 0.001 0.000 0.210 714 L C 2.315 179.247 176.870 0.102 0.000 1.076 714 L CA 1.216 56.027 54.840 -0.048 0.000 0.749 714 L CB -0.505 41.471 42.059 -0.139 0.000 0.893 714 L HN 0.308 nan 8.230 nan 0.000 0.432 715 L N -0.337 120.939 121.223 0.088 0.000 2.109 715 L HA -0.182 4.159 4.340 0.001 0.000 0.207 715 L C 2.647 179.579 176.870 0.102 0.000 1.086 715 L CA 0.886 55.791 54.840 0.107 0.000 0.760 715 L CB -0.405 41.691 42.059 0.062 0.000 0.910 715 L HN 0.227 nan 8.230 nan 0.000 0.437 716 K N 0.614 121.076 120.400 0.103 0.000 2.026 716 K HA -0.204 4.116 4.320 0.001 0.000 0.208 716 K C 1.575 178.262 176.600 0.145 0.000 1.048 716 K CA 1.883 58.233 56.287 0.105 0.000 0.929 716 K CB -0.249 32.317 32.500 0.110 0.000 0.713 716 K HN 0.103 nan 8.250 nan 0.000 0.439 717 D N 0.413 120.938 120.400 0.209 0.000 2.123 717 D HA -0.165 4.475 4.640 0.001 0.000 0.196 717 D C 1.864 178.303 176.300 0.231 0.000 0.992 717 D CA 1.247 55.398 54.000 0.251 0.000 0.833 717 D CB -0.381 40.638 40.800 0.363 0.000 0.954 717 D HN 0.215 nan 8.370 nan 0.000 0.455 718 L N 0.565 121.924 121.223 0.228 0.000 2.013 718 L HA -0.181 4.159 4.340 0.001 0.000 0.212 718 L C 2.158 179.111 176.870 0.138 0.000 1.073 718 L CA 1.573 56.553 54.840 0.233 0.000 0.753 718 L CB -0.501 41.728 42.059 0.284 0.000 0.890 718 L HN 0.038 nan 8.230 nan 0.000 0.432 719 L N -1.704 119.550 121.223 0.052 0.000 2.093 719 L HA -0.161 4.179 4.340 0.001 0.000 0.208 719 L C 2.335 179.205 176.870 -0.000 0.000 1.085 719 L CA 1.442 56.241 54.840 -0.068 0.000 0.755 719 L CB -1.267 40.733 42.059 -0.099 0.000 0.904 719 L HN 0.244 nan 8.230 nan 0.000 0.435 720 T N 0.369 114.963 114.554 0.068 0.000 2.665 720 T HA -0.261 4.089 4.350 0.001 0.000 0.268 720 T C 2.106 176.910 174.700 0.174 0.000 1.035 720 T CA 1.597 63.761 62.100 0.106 0.000 1.151 720 T CB -0.355 68.644 68.868 0.219 0.000 0.862 720 T HN 0.466 nan 8.240 nan 0.000 0.438 721 A N 0.612 123.560 122.820 0.214 0.000 1.873 721 A HA -0.182 4.139 4.320 0.001 0.000 0.218 721 A C 2.124 179.823 177.584 0.192 0.000 1.193 721 A CA 2.050 54.227 52.037 0.232 0.000 0.629 721 A CB -1.236 17.912 19.000 0.246 0.000 0.826 721 A HN 0.629 nan 8.150 nan 0.000 0.447 722 Y N 0.627 120.937 120.300 0.016 0.000 2.224 722 Y HA -0.211 4.339 4.550 0.001 0.000 0.289 722 Y C 2.382 178.299 175.900 0.029 0.000 1.146 722 Y CA 2.377 60.480 58.100 0.005 0.000 1.182 722 Y CB -0.158 38.075 38.460 -0.377 0.000 0.983 722 Y HN 0.374 nan 8.280 nan 0.000 0.524 723 K N -0.657 119.723 120.400 -0.034 0.000 2.147 723 K HA -0.148 4.172 4.320 0.001 0.000 0.205 723 K C 0.655 177.007 176.600 -0.413 0.000 1.049 723 K CA 1.457 57.588 56.287 -0.261 0.000 0.936 723 K CB -0.394 31.866 32.500 -0.400 0.000 0.722 723 K HN 0.287 nan 8.250 nan 0.000 0.446 724 F N 0.751 120.653 119.950 -0.080 0.000 2.660 724 F HA 0.314 4.841 4.527 0.001 0.000 0.297 724 F C 1.084 176.753 175.800 -0.218 0.000 1.132 724 F CA 0.083 58.012 58.000 -0.119 0.000 1.372 724 F CB 0.529 39.493 39.000 -0.060 0.000 1.003 724 F HN 0.248 nan 8.300 nan 0.000 0.524 725 G N 0.680 109.319 108.800 -0.268 0.000 2.198 725 G HA2 -0.272 3.689 3.960 0.001 0.000 0.260 725 G HA3 -0.272 3.689 3.960 0.001 0.000 0.260 725 G C 0.120 174.891 174.900 -0.215 0.000 1.025 725 G CA 0.102 44.824 45.100 -0.629 0.000 0.769 725 G HN 0.166 nan 8.290 nan 0.000 0.507 726 V N -0.102 119.828 119.914 0.027 0.000 2.529 726 V HA 0.125 4.246 4.120 0.001 0.000 0.292 726 V C 1.792 178.000 176.094 0.191 0.000 1.028 726 V CA 1.129 63.492 62.300 0.105 0.000 1.074 726 V CB 1.259 33.169 31.823 0.146 0.000 0.958 726 V HN 0.492 nan 8.190 nan 0.000 0.481 727 K N 2.232 122.716 120.400 0.140 0.000 2.031 727 K HA -0.015 4.305 4.320 0.001 0.000 0.205 727 K C 0.837 177.534 176.600 0.161 0.000 1.049 727 K CA 1.369 57.754 56.287 0.163 0.000 0.939 727 K CB 0.048 32.610 32.500 0.104 0.000 0.717 727 K HN 0.932 nan 8.250 nan 0.000 0.438 728 T N -2.221 112.414 114.554 0.136 0.000 2.887 728 T HA 0.612 4.962 4.350 0.001 0.000 0.292 728 T C -0.815 173.988 174.700 0.171 0.000 1.087 728 T CA -0.995 61.195 62.100 0.151 0.000 1.009 728 T CB 1.591 70.512 68.868 0.089 0.000 1.203 728 T HN -0.111 nan 8.240 nan 0.000 0.518 729 L N 1.813 123.160 121.223 0.207 0.000 2.441 729 L HA 0.463 4.803 4.340 0.001 0.000 0.270 729 L C -1.010 176.009 176.870 0.248 0.000 0.973 729 L CA -0.919 54.067 54.840 0.242 0.000 0.842 729 L CB 1.919 44.147 42.059 0.282 0.000 1.239 729 L HN 0.724 nan 8.230 nan 0.000 0.406 730 Y N 3.239 123.528 120.300 -0.019 0.000 2.979 730 Y HA 0.318 4.868 4.550 0.001 0.000 0.458 730 Y C 0.308 176.222 175.900 0.022 0.000 1.310 730 Y CA -0.630 57.278 58.100 -0.321 0.000 1.777 730 Y CB 0.117 38.327 38.460 -0.418 0.000 1.606 730 Y HN 0.281 nan 8.280 nan 0.000 0.769 731 Y N 1.725 121.832 120.300 -0.321 0.000 2.812 731 Y HA 0.020 4.571 4.550 0.001 0.000 0.348 731 Y C 0.611 176.555 175.900 0.073 0.000 1.274 731 Y CA 0.584 58.596 58.100 -0.145 0.000 1.489 731 Y CB -0.078 38.224 38.460 -0.262 0.000 1.348 731 Y HN 0.271 nan 8.280 nan 0.000 0.646 732 Q N 2.901 122.896 119.800 0.324 0.000 2.325 732 Q HA 0.326 4.666 4.340 0.001 0.000 0.270 732 Q C -1.525 174.600 176.000 0.209 0.000 1.020 732 Q CA -0.956 55.007 55.803 0.267 0.000 0.785 732 Q CB 0.710 29.620 28.738 0.288 0.000 1.259 732 Q HN 0.645 nan 8.270 nan 0.000 0.452 733 N N 2.240 121.056 118.700 0.193 0.000 2.443 733 N HA 0.430 5.170 4.740 0.001 0.000 0.295 733 N C -1.163 174.559 175.510 0.354 0.000 1.076 733 N CA -0.243 52.935 53.050 0.214 0.000 0.919 733 N CB 1.999 40.634 38.487 0.246 0.000 1.176 733 N HN 0.420 nan 8.380 nan 0.000 0.487 734 T N 1.938 116.636 114.554 0.240 0.000 2.841 734 T HA 0.693 5.043 4.350 0.001 0.000 0.283 734 T C 0.121 174.780 174.700 -0.068 0.000 1.000 734 T CA -0.583 61.604 62.100 0.144 0.000 0.977 734 T CB 1.545 70.463 68.868 0.084 0.000 0.979 734 T HN 0.450 nan 8.240 nan 0.000 0.446 735 R N 0.902 121.155 120.500 -0.412 0.000 4.133 735 R HA -0.035 4.305 4.340 0.001 0.000 0.228 735 R C -1.401 174.026 176.300 -1.455 0.000 0.870 735 R CA -0.278 55.439 56.100 -0.639 0.000 0.769 735 R CB -0.321 29.772 30.300 -0.346 0.000 1.411 735 R HN 0.898 nan 8.270 nan 0.000 0.484 736 D N -1.322 118.434 120.400 -1.073 0.000 2.527 736 D HA 0.277 4.917 4.640 0.001 0.000 0.224 736 D C 0.361 176.284 176.300 -0.628 0.000 1.217 736 D CA 0.157 53.557 54.000 -1.000 0.000 0.819 736 D CB 1.609 42.165 40.800 -0.405 0.000 1.061 736 D HN 0.679 nan 8.370 nan 0.000 0.515 737 G N 0.309 108.812 108.800 -0.496 0.000 4.193 737 G HA2 0.603 4.564 3.960 0.001 0.000 0.265 737 G HA3 0.603 4.564 3.960 0.001 0.000 0.265 737 G C -0.121 174.790 174.900 0.018 0.000 3.257 737 G CA -0.021 45.043 45.100 -0.060 0.000 0.596 737 G HN 0.752 nan 8.290 nan 0.000 0.281 738 A N 0.000 122.967 122.820 0.245 0.000 2.254 738 A HA 0.000 4.320 4.320 0.001 0.000 0.244 738 A CA 0.000 52.186 52.037 0.248 0.000 0.836 738 A CB 0.000 19.056 19.000 0.093 0.000 0.831 738 A HN 0.000 nan 8.150 nan 0.000 0.486