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 5r1r_1_C 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 AIALPTKPLN 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 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 N N 1.188 119.892 118.700 0.007 0.000 2.537 2 N HA 0.103 4.843 4.740 -0.000 0.000 0.239 2 N C -0.878 174.636 175.510 0.007 0.000 1.402 2 N CA 0.047 53.100 53.050 0.006 0.000 1.311 2 N CB 0.718 39.208 38.487 0.004 0.000 1.386 2 N HN 0.348 nan 8.380 nan 0.000 0.561 3 Q N 0.477 120.282 119.800 0.009 0.000 2.489 3 Q HA 0.266 4.606 4.340 -0.000 0.000 0.231 3 Q C 0.974 176.980 176.000 0.011 0.000 1.273 3 Q CA 0.133 55.943 55.803 0.012 0.000 0.898 3 Q CB 0.037 28.785 28.738 0.015 0.000 1.545 3 Q HN 0.140 nan 8.270 nan 0.000 0.538 4 N N 2.226 120.929 118.700 0.006 0.000 2.178 4 N HA 0.122 4.862 4.740 -0.000 0.000 0.189 4 N C -0.069 175.437 175.510 -0.007 0.000 1.048 4 N CA 0.369 53.419 53.050 -0.001 0.000 0.855 4 N CB 0.159 38.642 38.487 -0.007 0.000 1.028 4 N HN 0.446 nan 8.380 nan 0.000 0.441 5 L N 0.763 121.978 121.223 -0.013 0.000 1.576 5 L HA -0.105 4.235 4.340 -0.000 0.000 0.651 5 L C -1.388 175.444 176.870 -0.063 0.000 1.027 5 L CA -0.287 54.533 54.840 -0.033 0.000 1.359 5 L CB -0.676 41.360 42.059 -0.039 0.000 2.192 5 L HN 0.133 nan 8.230 nan 0.000 1.036 6 L N 3.908 125.097 121.223 -0.058 0.000 2.278 6 L HA 0.453 4.793 4.340 -0.000 0.000 0.287 6 L C 0.509 177.314 176.870 -0.108 0.000 1.072 6 L CA -0.673 54.128 54.840 -0.066 0.000 0.819 6 L CB 0.946 42.981 42.059 -0.039 0.000 1.176 6 L HN 0.141 nan 8.230 nan 0.000 0.435 7 V N 1.966 121.804 119.914 -0.128 0.000 2.649 7 V HA 0.284 4.404 4.120 -0.000 0.000 0.292 7 V C 0.672 176.693 176.094 -0.122 0.000 1.055 7 V CA -0.350 61.847 62.300 -0.172 0.000 1.023 7 V CB 1.490 33.198 31.823 -0.192 0.000 0.992 7 V HN 0.853 nan 8.190 nan 0.000 0.480 8 T N 4.462 118.942 114.554 -0.124 0.000 2.797 8 T HA 0.491 4.841 4.350 -0.000 0.000 0.279 8 T C -0.410 174.243 174.700 -0.078 0.000 0.991 8 T CA -0.804 61.248 62.100 -0.079 0.000 0.979 8 T CB 0.853 69.689 68.868 -0.054 0.000 0.943 8 T HN 0.659 nan 8.240 nan 0.000 0.444 9 K N 2.829 123.197 120.400 -0.054 0.000 2.168 9 K HA 0.449 4.769 4.320 -0.000 0.000 0.239 9 K C -0.054 176.530 176.600 -0.027 0.000 0.999 9 K CA -1.128 55.132 56.287 -0.044 0.000 0.900 9 K CB 0.839 33.321 32.500 -0.030 0.000 1.111 9 K HN 0.559 nan 8.250 nan 0.000 0.452 10 R N 2.015 122.504 120.500 -0.018 0.000 2.770 10 R HA -0.067 4.272 4.340 -0.000 0.000 0.361 10 R C -0.824 175.472 176.300 -0.006 0.000 0.860 10 R CA 0.330 56.425 56.100 -0.009 0.000 1.071 10 R CB -1.003 29.296 30.300 -0.002 0.000 0.907 10 R HN 0.460 nan 8.270 nan 0.000 0.403 11 D N 2.441 122.838 120.400 -0.006 0.000 3.137 11 D HA -0.197 4.443 4.640 -0.000 0.000 0.196 11 D C 0.929 177.227 176.300 -0.004 0.000 1.270 11 D CA 1.829 55.827 54.000 -0.004 0.000 0.716 11 D CB -0.610 40.190 40.800 -0.001 0.000 0.891 11 D HN 0.882 nan 8.370 nan 0.000 0.396 12 G N -0.660 108.135 108.800 -0.007 0.000 3.601 12 G HA2 0.181 4.141 3.960 -0.000 0.000 0.192 12 G HA3 0.181 4.141 3.960 -0.000 0.000 0.192 12 G C 0.751 175.645 174.900 -0.011 0.000 1.184 12 G CA 0.753 45.848 45.100 -0.007 0.000 0.891 12 G HN 0.403 nan 8.290 nan 0.000 0.706 13 S N 0.281 115.973 115.700 -0.014 0.000 3.645 13 S HA -0.269 4.201 4.470 -0.000 0.000 0.570 13 S C 1.169 175.754 174.600 -0.024 0.000 2.436 13 S CA 1.673 59.862 58.200 -0.018 0.000 4.077 13 S CB -1.682 61.511 63.200 -0.011 0.000 0.856 13 S HN 1.679 nan 8.310 nan 0.000 0.996 14 T N 1.690 116.230 114.554 -0.022 0.000 2.819 14 T HA 0.260 4.610 4.350 -0.000 0.000 0.320 14 T C 0.035 174.718 174.700 -0.028 0.000 1.044 14 T CA 1.119 63.203 62.100 -0.025 0.000 1.135 14 T CB -0.034 68.824 68.868 -0.017 0.000 1.089 14 T HN 0.875 nan 8.240 nan 0.000 0.502 15 E N 0.475 120.654 120.200 -0.035 0.000 2.500 15 E HA 0.220 4.570 4.350 -0.000 0.000 0.288 15 E C -0.969 175.606 176.600 -0.042 0.000 1.147 15 E CA -0.895 55.485 56.400 -0.033 0.000 0.916 15 E CB 1.080 30.759 29.700 -0.034 0.000 1.181 15 E HN 0.690 nan 8.360 nan 0.000 0.433 16 R N 1.827 122.307 120.500 -0.033 0.000 2.726 16 R HA 0.331 4.671 4.340 -0.000 0.000 0.272 16 R C 0.573 176.843 176.300 -0.050 0.000 1.097 16 R CA -0.446 55.632 56.100 -0.036 0.000 1.198 16 R CB 0.316 30.603 30.300 -0.022 0.000 1.114 16 R HN 0.392 nan 8.270 nan 0.000 0.550 17 I N 1.588 122.125 120.570 -0.055 0.000 2.836 17 I HA -0.063 4.107 4.170 -0.000 0.000 0.285 17 I C -0.054 176.040 176.117 -0.039 0.000 1.174 17 I CA 0.448 61.706 61.300 -0.070 0.000 1.405 17 I CB 0.550 38.510 38.000 -0.067 0.000 1.385 17 I HN 0.584 nan 8.210 nan 0.000 0.594 18 N N 6.446 125.123 118.700 -0.038 0.000 2.727 18 N HA 0.215 4.955 4.740 -0.000 0.000 0.252 18 N C 0.427 175.956 175.510 0.032 0.000 1.283 18 N CA -0.244 52.807 53.050 0.002 0.000 0.782 18 N CB 0.619 39.112 38.487 0.009 0.000 1.199 18 N HN 0.490 nan 8.380 nan 0.000 0.520 19 L N -0.147 121.109 121.223 0.055 0.000 2.478 19 L HA 0.057 4.397 4.340 -0.000 0.000 0.223 19 L C 0.940 177.908 176.870 0.163 0.000 1.140 19 L CA 0.604 55.525 54.840 0.135 0.000 0.842 19 L CB 0.172 42.329 42.059 0.164 0.000 0.953 19 L HN 0.196 nan 8.230 nan 0.000 0.452 20 D N -0.131 120.331 120.400 0.104 0.000 2.271 20 D HA -0.075 4.564 4.640 -0.000 0.000 0.206 20 D C 2.069 178.437 176.300 0.113 0.000 0.967 20 D CA 0.612 54.673 54.000 0.101 0.000 0.867 20 D CB 0.356 41.187 40.800 0.052 0.000 0.960 20 D HN 0.147 nan 8.370 nan 0.000 0.509 21 K N 0.518 120.970 120.400 0.086 0.000 2.001 21 K HA -0.024 4.296 4.320 -0.000 0.000 0.208 21 K C 2.205 178.845 176.600 0.068 0.000 1.048 21 K CA 0.599 56.925 56.287 0.064 0.000 0.932 21 K CB -0.020 32.515 32.500 0.058 0.000 0.715 21 K HN 0.068 nan 8.250 nan 0.000 0.437 22 I N 0.062 120.697 120.570 0.109 0.000 2.151 22 I HA -0.338 3.831 4.170 -0.000 0.000 0.243 22 I C 2.463 178.656 176.117 0.127 0.000 1.080 22 I CA 1.634 63.014 61.300 0.133 0.000 1.339 22 I CB -0.473 37.666 38.000 0.231 0.000 1.039 22 I HN 0.323 nan 8.210 nan 0.000 0.409 23 H N 1.180 120.303 119.070 0.087 0.000 2.319 23 H HA -0.141 4.415 4.556 -0.000 0.000 0.299 23 H C 2.460 177.805 175.328 0.029 0.000 1.092 23 H CA 1.873 57.955 56.048 0.057 0.000 1.302 23 H CB 0.019 29.812 29.762 0.052 0.000 1.373 23 H HN 0.071 nan 8.280 nan 0.000 0.497 24 R N -0.370 120.183 120.500 0.088 0.000 2.097 24 R HA -0.167 4.173 4.340 -0.000 0.000 0.236 24 R C 2.414 178.683 176.300 -0.051 0.000 1.135 24 R CA 1.969 58.080 56.100 0.019 0.000 0.934 24 R CB -0.621 29.693 30.300 0.023 0.000 0.846 24 R HN 0.228 nan 8.270 nan 0.000 0.431 25 V N 1.563 121.408 119.914 -0.115 0.000 2.252 25 V HA -0.299 3.821 4.120 -0.000 0.000 0.249 25 V C 2.428 178.511 176.094 -0.019 0.000 1.056 25 V CA 1.977 64.147 62.300 -0.216 0.000 1.022 25 V CB -0.639 30.916 31.823 -0.448 0.000 0.641 25 V HN 0.302 nan 8.190 nan 0.000 0.445 26 L N 0.072 121.250 121.223 -0.076 0.000 1.989 26 L HA -0.253 4.087 4.340 -0.000 0.000 0.211 26 L C 2.507 179.299 176.870 -0.130 0.000 1.071 26 L CA 2.278 57.065 54.840 -0.088 0.000 0.749 26 L CB -0.709 41.272 42.059 -0.130 0.000 0.890 26 L HN 0.443 nan 8.230 nan 0.000 0.431 27 D N -0.857 119.408 120.400 -0.226 0.000 2.133 27 D HA -0.311 4.329 4.640 -0.000 0.000 0.192 27 D C 1.852 178.114 176.300 -0.063 0.000 1.001 27 D CA 1.777 55.664 54.000 -0.189 0.000 0.844 27 D CB -0.248 40.431 40.800 -0.201 0.000 0.944 27 D HN 0.386 nan 8.370 nan 0.000 0.447 28 W N 1.423 122.616 121.300 -0.178 0.000 2.311 28 W HA -0.214 4.446 4.660 -0.000 0.000 0.326 28 W C 2.361 178.811 176.519 -0.115 0.000 1.239 28 W CA 2.846 60.104 57.345 -0.145 0.000 1.258 28 W CB -1.020 28.327 29.460 -0.189 0.000 1.165 28 W HN 0.034 nan 8.180 nan 0.000 0.466 29 A N 0.872 123.388 122.820 -0.506 0.000 1.986 29 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 29 A C 2.103 179.413 177.584 -0.457 0.000 1.171 29 A CA 2.817 54.392 52.037 -0.771 0.000 0.640 29 A CB -1.575 17.244 19.000 -0.301 0.000 0.811 29 A HN 0.649 nan 8.150 nan 0.000 0.451 30 A N -0.889 121.753 122.820 -0.297 0.000 2.067 30 A HA 0.111 4.431 4.320 -0.000 0.000 0.217 30 A C 0.849 178.285 177.584 -0.247 0.000 1.156 30 A CA 0.334 52.229 52.037 -0.238 0.000 0.683 30 A CB -0.234 18.651 19.000 -0.193 0.000 0.808 30 A HN 0.349 nan 8.150 nan 0.000 0.455 31 E N -0.166 119.874 120.200 -0.267 0.000 2.820 31 E HA 0.203 4.552 4.350 -0.000 0.000 0.251 31 E C 1.335 177.812 176.600 -0.206 0.000 0.944 31 E CA 1.028 57.300 56.400 -0.214 0.000 0.955 31 E CB -0.305 29.274 29.700 -0.203 0.000 0.904 31 E HN 0.752 nan 8.360 nan 0.000 0.513 32 G N 2.810 111.496 108.800 -0.189 0.000 2.253 32 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.251 32 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.251 32 G C 0.351 175.120 174.900 -0.218 0.000 0.998 32 G CA 0.332 45.331 45.100 -0.169 0.000 0.621 32 G HN 0.413 nan 8.290 nan 0.000 0.524 33 L N 1.157 122.227 121.223 -0.254 0.000 2.421 33 L HA 0.628 4.968 4.340 -0.000 0.000 0.263 33 L C 0.576 177.198 176.870 -0.413 0.000 1.122 33 L CA -1.005 53.707 54.840 -0.213 0.000 0.804 33 L CB 0.827 42.793 42.059 -0.155 0.000 1.150 33 L HN 0.100 nan 8.230 nan 0.000 0.457 34 H N 1.408 120.432 119.070 -0.076 0.000 2.572 34 H HA 0.239 4.794 4.556 -0.000 0.000 0.359 34 H C -0.266 175.001 175.328 -0.102 0.000 1.134 34 H CA -0.590 55.417 56.048 -0.068 0.000 1.187 34 H CB 1.729 31.473 29.762 -0.030 0.000 1.597 34 H HN 0.644 nan 8.280 nan 0.000 0.524 35 N N -0.105 118.591 118.700 -0.007 0.000 2.776 35 N HA -0.184 4.556 4.740 -0.000 0.000 0.250 35 N C -0.714 174.685 175.510 -0.185 0.000 1.112 35 N CA 0.850 53.870 53.050 -0.050 0.000 0.733 35 N CB -0.822 37.662 38.487 -0.006 0.000 1.097 35 N HN 0.338 nan 8.380 nan 0.000 0.558 36 V N -3.230 116.514 119.914 -0.284 0.000 2.495 36 V HA 0.751 4.871 4.120 -0.000 0.000 0.298 36 V C 0.351 176.336 176.094 -0.182 0.000 1.031 36 V CA -0.716 61.279 62.300 -0.509 0.000 0.871 36 V CB 2.162 33.528 31.823 -0.762 0.000 0.988 36 V HN 0.046 nan 8.190 nan 0.000 0.432 37 S N 3.940 119.650 115.700 0.018 0.000 2.404 37 S HA 0.513 4.983 4.470 -0.000 0.000 0.309 37 S C 1.007 175.641 174.600 0.057 0.000 1.076 37 S CA -0.629 57.601 58.200 0.051 0.000 1.095 37 S CB 0.213 63.462 63.200 0.082 0.000 0.972 37 S HN 0.719 nan 8.310 nan 0.000 0.484 38 I N 3.806 124.376 120.570 0.000 0.000 2.163 38 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 38 I C 2.650 178.771 176.117 0.006 0.000 1.085 38 I CA 1.594 62.888 61.300 -0.010 0.000 1.347 38 I CB -0.455 37.508 38.000 -0.061 0.000 1.044 38 I HN 0.738 nan 8.210 nan 0.000 0.408 39 S N 0.217 115.927 115.700 0.017 0.000 2.359 39 S HA -0.294 4.176 4.470 -0.000 0.000 0.224 39 S C 2.023 176.601 174.600 -0.037 0.000 1.035 39 S CA 1.027 59.221 58.200 -0.011 0.000 1.018 39 S CB -0.554 62.644 63.200 -0.004 0.000 0.876 39 S HN 0.375 nan 8.310 nan 0.000 0.448 40 Q N 1.260 121.056 119.800 -0.007 0.000 2.029 40 Q HA -0.093 4.247 4.340 -0.000 0.000 0.209 40 Q C 2.530 178.503 176.000 -0.045 0.000 0.999 40 Q CA 1.951 57.744 55.803 -0.016 0.000 0.857 40 Q CB -1.252 27.501 28.738 0.026 0.000 0.926 40 Q HN 0.557 nan 8.270 nan 0.000 0.415 41 V N 1.109 121.013 119.914 -0.017 0.000 2.287 41 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 41 V C 2.249 178.293 176.094 -0.083 0.000 1.053 41 V CA 2.239 64.518 62.300 -0.035 0.000 1.027 41 V CB -0.613 31.225 31.823 0.025 0.000 0.646 41 V HN 0.426 nan 8.190 nan 0.000 0.447 42 E N -0.054 120.066 120.200 -0.133 0.000 2.038 42 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 42 E C 2.275 178.657 176.600 -0.364 0.000 1.000 42 E CA 1.505 57.695 56.400 -0.349 0.000 0.803 42 E CB -0.291 29.128 29.700 -0.468 0.000 0.750 42 E HN 0.476 nan 8.360 nan 0.000 0.448 43 L N 0.521 121.609 121.223 -0.225 0.000 1.978 43 L HA -0.275 4.064 4.340 -0.000 0.000 0.218 43 L C 2.624 179.416 176.870 -0.130 0.000 1.075 43 L CA 1.594 56.342 54.840 -0.153 0.000 0.767 43 L CB -0.375 41.626 42.059 -0.097 0.000 0.890 43 L HN 0.072 nan 8.230 nan 0.000 0.434 44 R N -0.553 119.877 120.500 -0.117 0.000 2.193 44 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 44 R C 2.319 178.543 176.300 -0.127 0.000 1.110 44 R CA 1.544 57.580 56.100 -0.106 0.000 0.988 44 R CB -0.172 30.069 30.300 -0.098 0.000 0.871 44 R HN 0.523 nan 8.270 nan 0.000 0.458 45 S N -1.498 114.101 115.700 -0.167 0.000 2.502 45 S HA 0.050 4.520 4.470 -0.000 0.000 0.228 45 S C 1.575 175.730 174.600 -0.742 0.000 1.061 45 S CA -0.091 57.945 58.200 -0.274 0.000 0.935 45 S CB -0.236 62.899 63.200 -0.110 0.000 0.809 45 S HN 0.374 nan 8.310 nan 0.000 0.510 46 H N 0.752 119.342 119.070 -0.799 0.000 2.387 46 H HA 0.048 4.603 4.556 -0.000 0.000 0.299 46 H C 1.916 176.928 175.328 -0.528 0.000 1.090 46 H CA 1.303 56.807 56.048 -0.906 0.000 1.332 46 H CB -0.129 29.438 29.762 -0.325 0.000 1.386 46 H HN 0.264 nan 8.280 nan 0.000 0.516 47 I N 1.798 122.263 120.570 -0.175 0.000 2.657 47 I HA -0.248 3.922 4.170 -0.000 0.000 0.261 47 I C 1.524 177.614 176.117 -0.045 0.000 1.212 47 I CA 1.487 62.740 61.300 -0.078 0.000 1.453 47 I CB -0.199 37.769 38.000 -0.054 0.000 1.092 47 I HN 0.351 nan 8.210 nan 0.000 0.452 48 Q N -1.293 118.452 119.800 -0.091 0.000 2.198 48 Q HA 0.173 4.513 4.340 -0.000 0.000 0.209 48 Q C -0.386 175.788 176.000 0.290 0.000 0.848 48 Q CA -0.303 55.548 55.803 0.081 0.000 0.974 48 Q CB 0.045 28.831 28.738 0.080 0.000 1.115 48 Q HN 0.143 nan 8.270 nan 0.000 0.494 49 F N 2.260 122.248 119.950 0.064 0.000 2.412 49 F HA 0.313 4.840 4.527 -0.000 0.000 0.348 49 F C -0.018 175.801 175.800 0.032 0.000 1.102 49 F CA -1.930 56.035 58.000 -0.058 0.000 1.196 49 F CB 0.144 39.055 39.000 -0.149 0.000 1.144 49 F HN 0.036 nan 8.300 nan 0.000 0.541 50 Y N -0.627 119.763 120.300 0.150 0.000 2.512 50 Y HA 0.426 4.976 4.550 0.000 0.000 0.348 50 Y C 0.732 176.647 175.900 0.024 0.000 0.990 50 Y CA -1.517 56.625 58.100 0.070 0.000 1.033 50 Y CB 0.235 38.724 38.460 0.050 0.000 1.259 50 Y HN 0.491 nan 8.280 nan 0.000 0.461 51 D N 2.534 123.011 120.400 0.128 0.000 2.865 51 D HA -0.231 4.409 4.640 -0.000 0.000 0.271 51 D C 1.379 177.660 176.300 -0.033 0.000 1.158 51 D CA 2.547 56.571 54.000 0.040 0.000 1.048 51 D CB -0.485 40.355 40.800 0.067 0.000 1.380 51 D HN 0.991 nan 8.370 nan 0.000 0.520 52 G N 0.563 109.386 108.800 0.038 0.000 3.541 52 G HA2 0.299 4.259 3.960 -0.000 0.000 0.253 52 G HA3 0.299 4.259 3.960 -0.000 0.000 0.253 52 G C 0.489 175.340 174.900 -0.081 0.000 1.017 52 G CA -0.368 44.720 45.100 -0.020 0.000 1.832 52 G HN 0.390 nan 8.290 nan 0.000 0.649 53 I N 0.536 120.895 120.570 -0.351 0.000 2.519 53 I HA 0.333 4.503 4.170 -0.000 0.000 0.287 53 I C 0.573 176.508 176.117 -0.304 0.000 1.047 53 I CA -1.064 59.921 61.300 -0.525 0.000 1.381 53 I CB 0.910 38.233 38.000 -1.129 0.000 1.417 53 I HN 0.207 nan 8.210 nan 0.000 0.540 54 K N 4.043 124.331 120.400 -0.187 0.000 2.168 54 K HA 0.173 4.493 4.320 -0.000 0.000 0.258 54 K C 0.821 177.279 176.600 -0.237 0.000 1.010 54 K CA 0.029 56.220 56.287 -0.160 0.000 0.929 54 K CB 0.769 33.220 32.500 -0.081 0.000 0.998 54 K HN 0.775 nan 8.250 nan 0.000 0.479 55 T N -1.939 112.472 114.554 -0.238 0.000 2.759 55 T HA -0.257 4.093 4.350 -0.000 0.000 0.269 55 T C 2.198 176.612 174.700 -0.476 0.000 1.042 55 T CA 1.818 63.706 62.100 -0.353 0.000 1.140 55 T CB -0.588 68.114 68.868 -0.277 0.000 0.864 55 T HN 0.732 nan 8.240 nan 0.000 0.455 56 S N 2.052 117.600 115.700 -0.253 0.000 2.387 56 S HA -0.214 4.256 4.470 -0.000 0.000 0.230 56 S C 1.686 176.203 174.600 -0.138 0.000 1.035 56 S CA 1.563 59.694 58.200 -0.114 0.000 1.014 56 S CB -0.770 62.459 63.200 0.047 0.000 0.836 56 S HN 0.508 nan 8.310 nan 0.000 0.466 57 D N 1.527 121.850 120.400 -0.128 0.000 2.194 57 D HA 0.088 4.728 4.640 -0.000 0.000 0.204 57 D C 2.066 178.326 176.300 -0.066 0.000 0.964 57 D CA 0.816 54.777 54.000 -0.064 0.000 0.846 57 D CB -0.277 40.505 40.800 -0.030 0.000 0.962 57 D HN 0.431 nan 8.370 nan 0.000 0.490 58 I N 0.742 121.179 120.570 -0.220 0.000 2.163 58 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 58 I C 2.132 178.309 176.117 0.100 0.000 1.085 58 I CA 1.422 62.603 61.300 -0.198 0.000 1.347 58 I CB -1.094 36.636 38.000 -0.449 0.000 1.044 58 I HN 0.215 nan 8.210 nan 0.000 0.408 59 H N 0.643 119.691 119.070 -0.037 0.000 2.321 59 H HA -0.123 4.433 4.556 -0.000 0.000 0.300 59 H C 2.267 177.532 175.328 -0.104 0.000 1.087 59 H CA 0.908 56.918 56.048 -0.064 0.000 1.319 59 H CB 0.159 29.802 29.762 -0.197 0.000 1.379 59 H HN 0.299 nan 8.280 nan 0.000 0.501 60 E N 0.424 120.611 120.200 -0.022 0.000 2.058 60 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 60 E C 2.315 178.955 176.600 0.067 0.000 0.997 60 E CA 1.380 57.778 56.400 -0.002 0.000 0.801 60 E CB -0.525 29.180 29.700 0.009 0.000 0.746 60 E HN 0.463 nan 8.360 nan 0.000 0.450 61 T N 2.716 117.340 114.554 0.117 0.000 2.708 61 T HA -0.122 4.227 4.350 -0.000 0.000 0.266 61 T C 2.184 176.960 174.700 0.128 0.000 1.037 61 T CA 1.555 63.744 62.100 0.149 0.000 1.146 61 T CB -0.407 68.632 68.868 0.286 0.000 0.865 61 T HN 0.384 nan 8.240 nan 0.000 0.435 62 I N -0.262 120.420 120.570 0.186 0.000 2.286 62 I HA -0.099 4.070 4.170 -0.000 0.000 0.248 62 I C 2.213 178.366 176.117 0.059 0.000 1.115 62 I CA 1.516 62.900 61.300 0.141 0.000 1.392 62 I CB -0.686 37.432 38.000 0.197 0.000 1.065 62 I HN 0.170 nan 8.210 nan 0.000 0.418 63 I N 1.447 122.051 120.570 0.057 0.000 2.076 63 I HA -0.290 3.880 4.170 -0.000 0.000 0.237 63 I C 2.853 178.911 176.117 -0.098 0.000 1.059 63 I CA 1.793 63.093 61.300 -0.000 0.000 1.317 63 I CB -0.551 37.490 38.000 0.070 0.000 1.037 63 I HN 0.205 nan 8.210 nan 0.000 0.398 64 K N 0.719 121.091 120.400 -0.045 0.000 2.020 64 K HA -0.252 4.068 4.320 -0.000 0.000 0.212 64 K C 2.253 178.784 176.600 -0.114 0.000 1.050 64 K CA 1.757 57.999 56.287 -0.074 0.000 0.929 64 K CB -0.407 32.089 32.500 -0.008 0.000 0.714 64 K HN 0.363 nan 8.250 nan 0.000 0.443 65 A N 1.468 124.243 122.820 -0.075 0.000 1.896 65 A HA -0.307 4.013 4.320 -0.000 0.000 0.220 65 A C 2.371 179.858 177.584 -0.161 0.000 1.206 65 A CA 2.666 54.643 52.037 -0.100 0.000 0.647 65 A CB -1.049 17.914 19.000 -0.061 0.000 0.828 65 A HN 0.457 nan 8.150 nan 0.000 0.455 66 A N -0.609 122.132 122.820 -0.132 0.000 1.883 66 A HA 0.115 4.435 4.320 -0.000 0.000 0.217 66 A C 2.576 180.009 177.584 -0.252 0.000 1.186 66 A CA 2.600 54.562 52.037 -0.124 0.000 0.624 66 A CB -1.201 17.779 19.000 -0.033 0.000 0.822 66 A HN 1.312 nan 8.150 nan 0.000 0.444 67 A N -0.037 122.575 122.820 -0.346 0.000 1.908 67 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 67 A C 1.658 179.091 177.584 -0.253 0.000 1.181 67 A CA 1.883 53.661 52.037 -0.432 0.000 0.627 67 A CB -0.637 17.945 19.000 -0.696 0.000 0.818 67 A HN 0.468 nan 8.150 nan 0.000 0.445 68 D N -0.208 120.060 120.400 -0.221 0.000 2.350 68 D HA -0.045 4.595 4.640 -0.000 0.000 0.216 68 D C 1.487 177.630 176.300 -0.262 0.000 0.968 68 D CA 0.688 54.578 54.000 -0.185 0.000 0.894 68 D CB -0.141 40.572 40.800 -0.144 0.000 0.909 68 D HN 0.491 nan 8.370 nan 0.000 0.520 69 L N 0.281 121.237 121.223 -0.446 0.000 2.567 69 L HA 0.178 4.518 4.340 -0.000 0.000 0.225 69 L C 0.849 177.446 176.870 -0.454 0.000 1.119 69 L CA -0.221 54.220 54.840 -0.665 0.000 0.871 69 L CB 0.190 41.353 42.059 -1.494 0.000 1.036 69 L HN -0.126 nan 8.230 nan 0.000 0.459 70 I N 1.015 121.443 120.570 -0.235 0.000 2.826 70 I HA -0.123 4.047 4.170 -0.000 0.000 0.295 70 I C 0.685 176.771 176.117 -0.052 0.000 1.213 70 I CA 0.746 62.020 61.300 -0.044 0.000 1.436 70 I CB 0.268 38.243 38.000 -0.042 0.000 1.348 70 I HN 0.277 nan 8.210 nan 0.000 0.570 71 S N 5.516 121.207 115.700 -0.016 0.000 2.643 71 S HA 0.445 4.915 4.470 -0.000 0.000 0.270 71 S C 0.501 175.031 174.600 -0.117 0.000 1.166 71 S CA -1.153 57.009 58.200 -0.063 0.000 0.815 71 S CB 1.537 64.709 63.200 -0.046 0.000 1.139 71 S HN 0.631 nan 8.310 nan 0.000 0.472 72 R N 0.779 121.147 120.500 -0.220 0.000 2.092 72 R HA -0.020 4.320 4.340 -0.000 0.000 0.231 72 R C 0.528 176.673 176.300 -0.258 0.000 1.119 72 R CA 1.979 57.785 56.100 -0.490 0.000 0.970 72 R CB -0.969 28.885 30.300 -0.743 0.000 0.864 72 R HN 0.755 nan 8.270 nan 0.000 0.440 73 D N 0.917 121.258 120.400 -0.098 0.000 2.323 73 D HA 0.054 4.694 4.640 -0.000 0.000 0.209 73 D C 0.266 176.586 176.300 0.033 0.000 0.973 73 D CA 0.868 54.866 54.000 -0.005 0.000 0.874 73 D CB 0.346 41.144 40.800 -0.004 0.000 0.930 73 D HN 0.301 nan 8.370 nan 0.000 0.521 74 A N 0.818 123.670 122.820 0.054 0.000 3.082 74 A HA 0.391 4.710 4.320 -0.000 0.000 0.328 74 A C -2.108 175.545 177.584 0.116 0.000 1.089 74 A CA -1.041 51.059 52.037 0.105 0.000 0.802 74 A CB 0.867 20.013 19.000 0.243 0.000 1.138 74 A HN -0.116 nan 8.150 nan 0.000 0.474 75 P HA 0.010 nan 4.420 nan 0.000 0.227 75 P C 0.401 177.733 177.300 0.054 0.000 1.161 75 P CA 0.834 63.965 63.100 0.052 0.000 0.788 75 P CB 0.370 32.114 31.700 0.074 0.000 0.822 76 D N -1.536 118.896 120.400 0.053 0.000 2.350 76 D HA -0.124 4.515 4.640 -0.000 0.000 0.216 76 D C 1.433 177.707 176.300 -0.044 0.000 0.968 76 D CA 0.800 54.843 54.000 0.071 0.000 0.894 76 D CB -0.704 40.114 40.800 0.030 0.000 0.909 76 D HN 0.173 nan 8.370 nan 0.000 0.520 77 Y N 1.719 122.003 120.300 -0.027 0.000 2.207 77 Y HA -0.222 4.328 4.550 0.000 0.000 0.287 77 Y C 2.377 178.202 175.900 -0.125 0.000 1.156 77 Y CA 1.133 59.189 58.100 -0.074 0.000 1.182 77 Y CB -0.431 37.975 38.460 -0.090 0.000 0.979 77 Y HN 0.174 nan 8.280 nan 0.000 0.521 78 Q N -1.390 118.379 119.800 -0.051 0.000 2.096 78 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 78 Q C 1.635 177.478 176.000 -0.261 0.000 0.982 78 Q CA 2.090 57.777 55.803 -0.195 0.000 0.850 78 Q CB -0.897 27.616 28.738 -0.375 0.000 0.901 78 Q HN 0.510 nan 8.270 nan 0.000 0.422 79 Y N 0.831 121.173 120.300 0.070 0.000 2.220 79 Y HA -0.123 4.427 4.550 0.000 0.000 0.291 79 Y C 2.184 178.091 175.900 0.012 0.000 1.129 79 Y CA 0.632 58.762 58.100 0.050 0.000 1.161 79 Y CB -0.556 37.909 38.460 0.008 0.000 0.997 79 Y HN 0.094 nan 8.280 nan 0.000 0.522 80 L N 0.386 121.657 121.223 0.081 0.000 2.012 80 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 80 L C 2.345 179.233 176.870 0.030 0.000 1.073 80 L CA 2.105 56.950 54.840 0.008 0.000 0.748 80 L CB -1.026 41.015 42.059 -0.029 0.000 0.891 80 L HN 0.141 nan 8.230 nan 0.000 0.431 81 A N -0.537 122.286 122.820 0.005 0.000 1.873 81 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 81 A C 2.467 180.124 177.584 0.121 0.000 1.186 81 A CA 1.819 53.795 52.037 -0.101 0.000 0.616 81 A CB -1.265 17.428 19.000 -0.511 0.000 0.823 81 A HN 0.598 nan 8.150 nan 0.000 0.442 82 A N -0.069 122.903 122.820 0.253 0.000 1.873 82 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 82 A C 2.247 180.024 177.584 0.322 0.000 1.193 82 A CA 1.920 54.178 52.037 0.368 0.000 0.629 82 A CB -0.558 18.651 19.000 0.347 0.000 0.826 82 A HN 0.534 nan 8.150 nan 0.000 0.447 83 R N -0.732 119.917 120.500 0.248 0.000 2.091 83 R HA -0.071 4.269 4.340 -0.000 0.000 0.238 83 R C 2.145 178.660 176.300 0.359 0.000 1.136 83 R CA 1.542 57.782 56.100 0.234 0.000 0.959 83 R CB -0.542 29.714 30.300 -0.075 0.000 0.856 83 R HN 0.549 nan 8.270 nan 0.000 0.437 84 L N -0.122 121.256 121.223 0.258 0.000 2.012 84 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 84 L C 2.660 179.746 176.870 0.360 0.000 1.073 84 L CA 1.474 56.484 54.840 0.283 0.000 0.748 84 L CB -0.613 41.533 42.059 0.145 0.000 0.891 84 L HN 0.277 nan 8.230 nan 0.000 0.431 85 A N 0.078 123.099 122.820 0.335 0.000 1.908 85 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 85 A C 2.212 180.007 177.584 0.352 0.000 1.181 85 A CA 1.581 53.835 52.037 0.361 0.000 0.627 85 A CB -0.604 18.618 19.000 0.370 0.000 0.818 85 A HN 0.300 nan 8.150 nan 0.000 0.445 86 I N -1.482 119.308 120.570 0.367 0.000 2.163 86 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 86 I C 2.362 178.707 176.117 0.379 0.000 1.085 86 I CA 1.563 63.069 61.300 0.343 0.000 1.347 86 I CB -1.392 36.857 38.000 0.415 0.000 1.044 86 I HN 0.484 nan 8.210 nan 0.000 0.408 87 F N 1.696 121.889 119.950 0.404 0.000 2.069 87 F HA -0.330 4.197 4.527 -0.000 0.000 0.298 87 F C 2.884 178.807 175.800 0.206 0.000 1.113 87 F CA 2.429 60.663 58.000 0.390 0.000 1.214 87 F CB -0.688 38.517 39.000 0.343 0.000 0.978 87 F HN 0.184 nan 8.300 nan 0.000 0.474 88 H N 0.318 119.543 119.070 0.258 0.000 2.319 88 H HA -0.206 4.349 4.556 -0.000 0.000 0.297 88 H C 2.106 177.447 175.328 0.022 0.000 1.097 88 H CA 2.618 58.723 56.048 0.095 0.000 1.285 88 H CB -0.708 29.156 29.762 0.170 0.000 1.368 88 H HN 0.404 nan 8.280 nan 0.000 0.495 89 L N -0.294 120.869 121.223 -0.100 0.000 2.191 89 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 89 L C 2.728 179.431 176.870 -0.279 0.000 1.103 89 L CA 0.916 55.624 54.840 -0.220 0.000 0.769 89 L CB -0.256 41.753 42.059 -0.082 0.000 0.908 89 L HN 0.280 nan 8.230 nan 0.000 0.438 90 R N 0.251 120.615 120.500 -0.227 0.000 2.061 90 R HA -0.126 4.214 4.340 -0.000 0.000 0.230 90 R C 2.191 178.327 176.300 -0.272 0.000 1.140 90 R CA 1.193 57.132 56.100 -0.270 0.000 0.940 90 R CB -0.597 29.548 30.300 -0.259 0.000 0.839 90 R HN 0.329 nan 8.270 nan 0.000 0.429 91 K N 0.984 121.217 120.400 -0.278 0.000 2.044 91 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 91 K C 2.156 178.645 176.600 -0.184 0.000 1.049 91 K CA 1.701 57.870 56.287 -0.197 0.000 0.927 91 K CB -0.154 32.237 32.500 -0.180 0.000 0.713 91 K HN 0.001 nan 8.250 nan 0.000 0.443 92 K N 0.143 120.372 120.400 -0.286 0.000 2.113 92 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 92 K C 1.738 178.183 176.600 -0.258 0.000 1.047 92 K CA 1.615 57.729 56.287 -0.289 0.000 0.928 92 K CB -0.033 32.211 32.500 -0.427 0.000 0.716 92 K HN 0.199 nan 8.250 nan 0.000 0.446 93 A N -1.227 121.371 122.820 -0.371 0.000 2.063 93 A HA 0.075 4.395 4.320 -0.000 0.000 0.211 93 A C 1.037 178.436 177.584 -0.309 0.000 1.177 93 A CA 0.445 52.227 52.037 -0.424 0.000 0.759 93 A CB -0.035 18.532 19.000 -0.722 0.000 0.857 93 A HN 0.352 nan 8.150 nan 0.000 0.468 94 Y N -1.896 118.376 120.300 -0.047 0.000 2.430 94 Y HA 0.399 4.949 4.550 0.000 0.000 0.254 94 Y C 1.898 177.774 175.900 -0.039 0.000 1.088 94 Y CA -0.298 57.782 58.100 -0.033 0.000 1.267 94 Y CB 0.141 38.556 38.460 -0.075 0.000 1.204 94 Y HN 0.388 nan 8.280 nan 0.000 0.515 95 G N 0.360 109.200 108.800 0.066 0.000 2.253 95 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.251 95 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.251 95 G C 0.199 175.112 174.900 0.023 0.000 0.998 95 G CA 0.523 45.644 45.100 0.034 0.000 0.621 95 G HN 0.451 nan 8.290 nan 0.000 0.524 96 Q N -1.781 118.039 119.800 0.033 0.000 2.882 96 Q HA 0.772 5.112 4.340 -0.000 0.000 0.315 96 Q C 0.645 176.640 176.000 -0.009 0.000 1.004 96 Q CA -0.756 55.055 55.803 0.013 0.000 0.777 96 Q CB 0.586 29.338 28.738 0.023 0.000 1.506 96 Q HN 0.395 nan 8.270 nan 0.000 0.489 97 F N 0.188 120.029 119.950 -0.182 0.000 2.446 97 F HA 0.246 4.772 4.527 -0.000 0.000 0.292 97 F C 0.368 176.091 175.800 -0.130 0.000 1.096 97 F CA 0.229 58.089 58.000 -0.235 0.000 1.438 97 F CB 0.779 39.602 39.000 -0.294 0.000 1.107 97 F HN 0.380 nan 8.300 nan 0.000 0.546 98 E N 3.596 123.738 120.200 -0.097 0.000 2.217 98 E HA 0.170 4.520 4.350 -0.000 0.000 0.279 98 E C -2.325 174.050 176.600 -0.375 0.000 1.068 98 E CA -2.295 53.977 56.400 -0.214 0.000 0.882 98 E CB 0.393 30.064 29.700 -0.048 0.000 1.039 98 E HN 0.108 nan 8.360 nan 0.000 0.418 99 P HA 0.061 nan 4.420 nan 0.000 0.268 99 P C -2.273 174.719 177.300 -0.512 0.000 1.204 99 P CA -0.916 61.603 63.100 -0.968 0.000 0.768 99 P CB -0.232 30.653 31.700 -1.358 0.000 0.842 100 P HA -0.010 nan 4.420 nan 0.000 0.271 100 P C -0.343 176.958 177.300 0.003 0.000 1.233 100 P CA -0.006 62.993 63.100 -0.169 0.000 0.795 100 P CB 0.293 31.927 31.700 -0.110 0.000 0.936 101 A N 0.929 123.763 122.820 0.024 0.000 2.407 101 A HA 0.087 4.407 4.320 -0.000 0.000 0.248 101 A C 1.373 178.978 177.584 0.035 0.000 1.082 101 A CA -0.423 51.658 52.037 0.073 0.000 0.785 101 A CB -0.443 18.596 19.000 0.064 0.000 1.020 101 A HN 0.621 nan 8.150 nan 0.000 0.489 102 L N 2.010 123.261 121.223 0.047 0.000 2.013 102 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 102 L C 1.999 178.761 176.870 -0.180 0.000 1.073 102 L CA 2.593 57.358 54.840 -0.125 0.000 0.753 102 L CB -1.265 40.810 42.059 0.026 0.000 0.890 102 L HN 0.865 nan 8.230 nan 0.000 0.432 103 Y N 0.618 120.807 120.300 -0.184 0.000 2.128 103 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 103 Y C 2.375 178.118 175.900 -0.262 0.000 1.154 103 Y CA 2.199 60.115 58.100 -0.307 0.000 1.149 103 Y CB -0.437 37.955 38.460 -0.114 0.000 0.976 103 Y HN 0.357 nan 8.280 nan 0.000 0.505 104 D N -1.187 119.140 120.400 -0.121 0.000 2.123 104 D HA -0.256 4.384 4.640 -0.000 0.000 0.196 104 D C 1.987 178.157 176.300 -0.217 0.000 0.992 104 D CA 2.053 55.958 54.000 -0.158 0.000 0.833 104 D CB -0.635 40.150 40.800 -0.025 0.000 0.954 104 D HN 0.545 nan 8.370 nan 0.000 0.455 105 H N 0.908 119.805 119.070 -0.289 0.000 2.293 105 H HA -0.078 4.478 4.556 -0.000 0.000 0.300 105 H C 2.065 177.215 175.328 -0.297 0.000 1.082 105 H CA 1.623 57.500 56.048 -0.286 0.000 1.308 105 H CB -0.327 29.155 29.762 -0.466 0.000 1.375 105 H HN -0.112 nan 8.280 nan 0.000 0.495 106 V N -0.135 119.507 119.914 -0.454 0.000 2.287 106 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 106 V C 2.665 178.487 176.094 -0.452 0.000 1.053 106 V CA 1.578 63.629 62.300 -0.415 0.000 1.027 106 V CB -0.715 30.718 31.823 -0.650 0.000 0.646 106 V HN 0.344 nan 8.190 nan 0.000 0.447 107 V N 0.050 119.608 119.914 -0.593 0.000 2.233 107 V HA -0.369 3.750 4.120 -0.000 0.000 0.247 107 V C 2.442 178.335 176.094 -0.335 0.000 1.050 107 V CA 2.660 64.670 62.300 -0.483 0.000 1.010 107 V CB -0.726 30.770 31.823 -0.546 0.000 0.637 107 V HN 0.588 nan 8.190 nan 0.000 0.444 108 K N -0.637 119.567 120.400 -0.327 0.000 2.044 108 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 108 K C 2.175 178.564 176.600 -0.350 0.000 1.049 108 K CA 1.893 58.012 56.287 -0.280 0.000 0.927 108 K CB -0.185 32.179 32.500 -0.226 0.000 0.713 108 K HN 0.241 nan 8.250 nan 0.000 0.443 109 M N 0.429 119.730 119.600 -0.499 0.000 2.213 109 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 109 M C 2.166 178.231 176.300 -0.391 0.000 1.062 109 M CA 1.098 56.017 55.300 -0.634 0.000 1.105 109 M CB -0.538 31.323 32.600 -1.231 0.000 1.385 109 M HN 0.049 nan 8.290 nan 0.000 0.417 110 V N 0.440 120.208 119.914 -0.243 0.000 2.453 110 V HA -0.209 3.910 4.120 -0.000 0.000 0.247 110 V C 2.116 178.131 176.094 -0.132 0.000 1.048 110 V CA 1.506 63.733 62.300 -0.123 0.000 1.049 110 V CB -0.893 30.887 31.823 -0.072 0.000 0.672 110 V HN 0.486 nan 8.190 nan 0.000 0.457 111 E N 0.189 120.292 120.200 -0.162 0.000 2.150 111 E HA -0.152 4.197 4.350 -0.000 0.000 0.193 111 E C 2.027 178.540 176.600 -0.145 0.000 0.985 111 E CA 1.201 57.521 56.400 -0.132 0.000 0.814 111 E CB -0.235 29.388 29.700 -0.129 0.000 0.752 111 E HN 0.534 nan 8.360 nan 0.000 0.466 112 M N -0.323 119.153 119.600 -0.206 0.000 2.618 112 M HA 0.102 4.582 4.480 -0.000 0.000 0.240 112 M C 1.118 177.294 176.300 -0.207 0.000 1.123 112 M CA 0.705 55.865 55.300 -0.234 0.000 1.060 112 M CB 0.455 32.833 32.600 -0.369 0.000 1.535 112 M HN 0.309 nan 8.290 nan 0.000 0.507 113 G N 0.806 109.508 108.800 -0.164 0.000 2.143 113 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.248 113 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.248 113 G C 0.926 175.762 174.900 -0.108 0.000 0.991 113 G CA 0.262 45.297 45.100 -0.109 0.000 0.689 113 G HN 0.362 nan 8.290 nan 0.000 0.522 114 K N -1.207 119.080 120.400 -0.188 0.000 2.323 114 K HA 0.218 4.538 4.320 -0.000 0.000 0.197 114 K C 0.224 176.816 176.600 -0.015 0.000 1.043 114 K CA 0.539 56.720 56.287 -0.176 0.000 0.997 114 K CB 0.451 32.710 32.500 -0.402 0.000 0.807 114 K HN 0.421 nan 8.250 nan 0.000 0.497 115 Y N 1.129 121.382 120.300 -0.078 0.000 2.468 115 Y HA 0.212 4.762 4.550 -0.000 0.000 0.342 115 Y C 0.319 176.209 175.900 -0.017 0.000 1.021 115 Y CA -2.519 55.559 58.100 -0.036 0.000 1.079 115 Y CB 0.783 39.199 38.460 -0.072 0.000 1.226 115 Y HN -0.060 nan 8.280 nan 0.000 0.460 116 D N 1.270 121.787 120.400 0.193 0.000 2.488 116 D HA -0.082 4.558 4.640 -0.000 0.000 0.238 116 D C 0.701 177.080 176.300 0.133 0.000 1.138 116 D CA 0.387 54.451 54.000 0.107 0.000 0.873 116 D CB 0.688 41.545 40.800 0.095 0.000 1.183 116 D HN 0.813 nan 8.370 nan 0.000 0.458 117 N N 2.376 121.144 118.700 0.113 0.000 2.396 117 N HA -0.149 4.591 4.740 -0.000 0.000 0.180 117 N C 1.383 177.050 175.510 0.262 0.000 1.028 117 N CA 0.852 53.994 53.050 0.155 0.000 0.893 117 N CB -0.278 38.286 38.487 0.127 0.000 0.967 117 N HN 0.540 nan 8.380 nan 0.000 0.440 118 H N 0.015 119.149 119.070 0.106 0.000 2.489 118 H HA 0.006 4.562 4.556 -0.000 0.000 0.293 118 H C 1.722 177.163 175.328 0.188 0.000 1.066 118 H CA 0.568 56.691 56.048 0.125 0.000 1.305 118 H CB 0.110 29.942 29.762 0.117 0.000 1.386 118 H HN 0.240 nan 8.280 nan 0.000 0.551 119 L N 0.331 121.762 121.223 0.347 0.000 2.046 119 L HA -0.218 4.121 4.340 -0.000 0.000 0.208 119 L C 2.211 179.410 176.870 0.548 0.000 1.077 119 L CA 0.998 56.091 54.840 0.421 0.000 0.747 119 L CB -0.146 42.103 42.059 0.317 0.000 0.896 119 L HN 0.281 nan 8.230 nan 0.000 0.432 120 L N -1.140 120.314 121.223 0.386 0.000 2.179 120 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 120 L C 2.416 179.462 176.870 0.294 0.000 1.096 120 L CA 0.854 55.930 54.840 0.394 0.000 0.779 120 L CB -0.343 41.828 42.059 0.186 0.000 0.922 120 L HN 0.229 nan 8.230 nan 0.000 0.443 121 E N 0.231 120.544 120.200 0.189 0.000 2.031 121 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 121 E C 1.639 178.268 176.600 0.049 0.000 0.994 121 E CA 1.460 57.909 56.400 0.081 0.000 0.800 121 E CB -0.027 29.661 29.700 -0.019 0.000 0.752 121 E HN 0.433 nan 8.360 nan 0.000 0.447 122 D N -0.819 119.614 120.400 0.054 0.000 2.219 122 D HA -0.071 4.568 4.640 -0.000 0.000 0.205 122 D C -0.132 175.963 176.300 -0.342 0.000 0.970 122 D CA 1.161 55.088 54.000 -0.122 0.000 0.851 122 D CB 0.064 40.798 40.800 -0.110 0.000 0.943 122 D HN 0.142 nan 8.370 nan 0.000 0.488 123 Y N -0.546 119.742 120.300 -0.020 0.000 2.462 123 Y HA 0.280 4.830 4.550 -0.000 0.000 0.346 123 Y C 0.689 176.558 175.900 -0.052 0.000 0.976 123 Y CA -1.181 56.792 58.100 -0.211 0.000 1.044 123 Y CB 1.700 39.690 38.460 -0.784 0.000 1.230 123 Y HN -0.316 nan 8.280 nan 0.000 0.455 124 T N -2.159 112.438 114.554 0.072 0.000 2.899 124 T HA 0.161 4.510 4.350 -0.000 0.000 0.284 124 T C 1.092 175.907 174.700 0.192 0.000 1.004 124 T CA -0.491 61.684 62.100 0.125 0.000 1.043 124 T CB 1.471 70.359 68.868 0.033 0.000 1.013 124 T HN 0.895 nan 8.240 nan 0.000 0.518 125 E N 0.396 120.657 120.200 0.101 0.000 2.114 125 E HA -0.302 4.048 4.350 -0.000 0.000 0.199 125 E C 1.748 178.285 176.600 -0.105 0.000 1.008 125 E CA 1.729 57.983 56.400 -0.243 0.000 0.810 125 E CB -0.135 29.101 29.700 -0.773 0.000 0.739 125 E HN 0.778 nan 8.360 nan 0.000 0.456 126 E N 0.698 120.852 120.200 -0.077 0.000 2.110 126 E HA -0.183 4.166 4.350 -0.000 0.000 0.193 126 E C 1.755 178.330 176.600 -0.043 0.000 0.988 126 E CA 1.442 57.807 56.400 -0.059 0.000 0.804 126 E CB -0.033 29.638 29.700 -0.049 0.000 0.745 126 E HN 0.400 nan 8.360 nan 0.000 0.458 127 E N -1.267 118.911 120.200 -0.036 0.000 2.072 127 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 127 E C 1.775 178.271 176.600 -0.173 0.000 0.985 127 E CA 0.870 57.219 56.400 -0.084 0.000 0.801 127 E CB -0.173 29.513 29.700 -0.023 0.000 0.750 127 E HN 0.275 nan 8.360 nan 0.000 0.452 128 F N 1.477 121.424 119.950 -0.006 0.000 2.186 128 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 128 F C 2.231 177.978 175.800 -0.088 0.000 1.090 128 F CA 1.002 58.980 58.000 -0.036 0.000 1.307 128 F CB -0.184 38.901 39.000 0.141 0.000 1.019 128 F HN -0.144 nan 8.300 nan 0.000 0.489 129 K N -0.008 120.443 120.400 0.085 0.000 2.074 129 K HA -0.280 4.040 4.320 -0.000 0.000 0.209 129 K C 2.133 178.669 176.600 -0.107 0.000 1.048 129 K CA 1.789 58.070 56.287 -0.010 0.000 0.926 129 K CB -0.437 32.039 32.500 -0.041 0.000 0.713 129 K HN 0.394 nan 8.250 nan 0.000 0.444 130 Q N 0.184 119.875 119.800 -0.182 0.000 2.083 130 Q HA -0.053 4.287 4.340 -0.000 0.000 0.198 130 Q C 2.183 177.735 176.000 -0.747 0.000 0.969 130 Q CA 1.080 56.679 55.803 -0.339 0.000 0.838 130 Q CB 0.118 28.697 28.738 -0.265 0.000 0.900 130 Q HN 0.306 nan 8.270 nan 0.000 0.436 131 M N 0.254 119.428 119.600 -0.711 0.000 2.117 131 M HA -0.180 4.300 4.480 -0.000 0.000 0.262 131 M C 1.691 177.659 176.300 -0.553 0.000 1.065 131 M CA 1.174 55.942 55.300 -0.887 0.000 1.114 131 M CB -0.455 31.906 32.600 -0.397 0.000 1.361 131 M HN 0.141 nan 8.290 nan 0.000 0.408 132 D N 0.694 120.937 120.400 -0.262 0.000 2.158 132 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 132 D C 2.012 178.233 176.300 -0.131 0.000 0.995 132 D CA 2.106 56.046 54.000 -0.100 0.000 0.846 132 D CB -0.092 40.711 40.800 0.004 0.000 0.941 132 D HN 0.452 nan 8.370 nan 0.000 0.456 133 T N -2.230 112.202 114.554 -0.203 0.000 2.962 133 T HA -0.115 4.235 4.350 -0.000 0.000 0.270 133 T C 1.881 176.595 174.700 0.024 0.000 1.088 133 T CA 0.612 62.656 62.100 -0.093 0.000 1.127 133 T CB -0.501 68.319 68.868 -0.079 0.000 0.883 133 T HN -0.037 nan 8.240 nan 0.000 0.493 134 F N 1.632 121.514 119.950 -0.115 0.000 2.187 134 F HA 0.426 4.953 4.527 -0.000 0.000 0.295 134 F C 1.454 177.119 175.800 -0.225 0.000 1.091 134 F CA -1.620 56.291 58.000 -0.149 0.000 1.308 134 F CB -1.110 37.766 39.000 -0.207 0.000 1.030 134 F HN 0.167 nan 8.300 nan 0.000 0.487 135 I N 1.750 122.194 120.570 -0.209 0.000 2.948 135 I HA -0.142 4.028 4.170 -0.000 0.000 0.303 135 I C 0.074 176.110 176.117 -0.134 0.000 1.224 135 I CA 0.772 61.866 61.300 -0.344 0.000 1.442 135 I CB 0.062 37.849 38.000 -0.355 0.000 1.328 135 I HN 0.025 nan 8.210 nan 0.000 0.578 136 D N 5.250 125.619 120.400 -0.052 0.000 2.389 136 D HA 0.164 4.804 4.640 -0.000 0.000 0.256 136 D C 0.749 177.009 176.300 -0.066 0.000 1.239 136 D CA -0.404 53.583 54.000 -0.021 0.000 0.925 136 D CB 0.553 41.388 40.800 0.059 0.000 1.145 136 D HN 0.406 nan 8.370 nan 0.000 0.542 137 H N 1.712 120.812 119.070 0.049 0.000 2.521 137 H HA -0.054 4.502 4.556 -0.000 0.000 0.286 137 H C 0.522 175.898 175.328 0.079 0.000 1.034 137 H CA 0.703 56.759 56.048 0.014 0.000 1.278 137 H CB 0.484 30.183 29.762 -0.106 0.000 1.386 137 H HN 0.454 nan 8.280 nan 0.000 0.567 138 D N 0.786 121.303 120.400 0.194 0.000 2.263 138 D HA -0.106 4.534 4.640 -0.000 0.000 0.208 138 D C 2.069 178.446 176.300 0.129 0.000 0.971 138 D CA 0.461 54.578 54.000 0.196 0.000 0.867 138 D CB -0.056 40.842 40.800 0.163 0.000 0.929 138 D HN 0.405 nan 8.370 nan 0.000 0.492 139 R N 0.673 121.210 120.500 0.062 0.000 2.241 139 R HA -0.101 4.239 4.340 -0.000 0.000 0.224 139 R C 1.106 177.393 176.300 -0.021 0.000 1.101 139 R CA 0.688 56.762 56.100 -0.044 0.000 0.995 139 R CB -0.249 29.964 30.300 -0.145 0.000 0.870 139 R HN 0.187 nan 8.270 nan 0.000 0.463 140 D N 1.029 121.529 120.400 0.166 0.000 2.182 140 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 140 D C 1.430 177.942 176.300 0.353 0.000 0.986 140 D CA 1.169 55.384 54.000 0.359 0.000 0.847 140 D CB -0.040 40.985 40.800 0.376 0.000 0.942 140 D HN 0.051 nan 8.370 nan 0.000 0.467 141 M N -0.129 119.616 119.600 0.242 0.000 2.686 141 M HA -0.041 4.439 4.480 -0.000 0.000 0.246 141 M C 1.608 177.975 176.300 0.111 0.000 1.096 141 M CA 0.756 56.173 55.300 0.194 0.000 1.076 141 M CB -0.230 32.447 32.600 0.129 0.000 1.504 141 M HN 0.030 nan 8.290 nan 0.000 0.524 142 T N -3.373 111.207 114.554 0.044 0.000 3.044 142 T HA 0.175 4.525 4.350 -0.000 0.000 0.250 142 T C 0.421 175.231 174.700 0.183 0.000 1.081 142 T CA -0.311 61.793 62.100 0.007 0.000 1.040 142 T CB -0.303 68.550 68.868 -0.025 0.000 0.962 142 T HN -0.003 nan 8.240 nan 0.000 0.506 143 F N 3.908 124.082 119.950 0.372 0.000 2.459 143 F HA 0.442 4.969 4.527 -0.000 0.000 0.346 143 F C 1.306 177.324 175.800 0.363 0.000 1.128 143 F CA -0.934 57.257 58.000 0.319 0.000 1.268 143 F CB 0.628 39.776 39.000 0.247 0.000 1.161 143 F HN 0.175 nan 8.300 nan 0.000 0.583 144 S N 2.656 118.606 115.700 0.416 0.000 2.616 144 S HA 0.194 4.664 4.470 -0.000 0.000 0.277 144 S C 0.811 175.467 174.600 0.093 0.000 1.234 144 S CA -0.699 57.539 58.200 0.065 0.000 1.028 144 S CB 0.674 63.802 63.200 -0.120 0.000 0.988 144 S HN 0.633 nan 8.310 nan 0.000 0.522 145 Y N 2.548 122.798 120.300 -0.084 0.000 2.062 145 Y HA -0.308 4.242 4.550 -0.000 0.000 0.276 145 Y C 2.573 178.450 175.900 -0.038 0.000 1.189 145 Y CA 2.398 60.478 58.100 -0.033 0.000 1.130 145 Y CB -1.202 37.231 38.460 -0.046 0.000 0.959 145 Y HN 0.891 nan 8.280 nan 0.000 0.499 146 A N 0.110 122.838 122.820 -0.154 0.000 1.908 146 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 146 A C 2.499 179.943 177.584 -0.233 0.000 1.181 146 A CA 2.336 54.231 52.037 -0.237 0.000 0.627 146 A CB -1.592 17.340 19.000 -0.114 0.000 0.818 146 A HN 0.659 nan 8.150 nan 0.000 0.445 147 A N -0.475 122.256 122.820 -0.149 0.000 1.883 147 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 147 A C 2.233 179.632 177.584 -0.309 0.000 1.186 147 A CA 2.060 53.994 52.037 -0.172 0.000 0.624 147 A CB -1.082 17.927 19.000 0.015 0.000 0.822 147 A HN 0.502 nan 8.150 nan 0.000 0.444 148 V N -0.192 119.571 119.914 -0.253 0.000 2.407 148 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 148 V C 2.499 178.415 176.094 -0.296 0.000 1.055 148 V CA 2.359 64.489 62.300 -0.283 0.000 1.049 148 V CB -0.706 31.064 31.823 -0.089 0.000 0.662 148 V HN 0.457 nan 8.190 nan 0.000 0.455 149 K N -0.076 120.095 120.400 -0.382 0.000 2.063 149 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 149 K C 2.318 178.772 176.600 -0.245 0.000 1.048 149 K CA 1.404 57.485 56.287 -0.343 0.000 0.928 149 K CB -0.350 31.876 32.500 -0.456 0.000 0.713 149 K HN 0.407 nan 8.250 nan 0.000 0.442 150 Q N 0.076 119.714 119.800 -0.270 0.000 2.016 150 Q HA -0.058 4.282 4.340 -0.000 0.000 0.200 150 Q C 2.273 178.081 176.000 -0.320 0.000 0.978 150 Q CA 1.336 56.975 55.803 -0.273 0.000 0.833 150 Q CB -0.436 28.097 28.738 -0.341 0.000 0.895 150 Q HN 0.303 nan 8.270 nan 0.000 0.427 151 L N 0.896 121.868 121.223 -0.419 0.000 1.997 151 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 151 L C 2.576 179.365 176.870 -0.134 0.000 1.074 151 L CA 1.884 56.529 54.840 -0.325 0.000 0.763 151 L CB -0.663 41.163 42.059 -0.389 0.000 0.890 151 L HN 0.328 nan 8.230 nan 0.000 0.434 152 E N 0.209 120.318 120.200 -0.151 0.000 2.110 152 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 152 E C 2.170 178.737 176.600 -0.055 0.000 0.988 152 E CA 1.258 57.605 56.400 -0.088 0.000 0.804 152 E CB -0.133 29.517 29.700 -0.083 0.000 0.745 152 E HN 0.495 nan 8.360 nan 0.000 0.458 153 G N 1.043 109.803 108.800 -0.067 0.000 2.396 153 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.214 153 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.214 153 G C 1.282 176.191 174.900 0.015 0.000 1.166 153 G CA 0.987 46.068 45.100 -0.032 0.000 0.793 153 G HN 0.349 nan 8.290 nan 0.000 0.533 154 K N -2.330 118.102 120.400 0.053 0.000 2.665 154 K HA 0.439 4.759 4.320 -0.000 0.000 0.194 154 K C 0.060 176.853 176.600 0.322 0.000 1.135 154 K CA -0.381 55.996 56.287 0.150 0.000 1.089 154 K CB 0.214 32.800 32.500 0.144 0.000 0.817 154 K HN 0.164 nan 8.250 nan 0.000 0.506 155 Y N 0.842 121.137 120.300 -0.008 0.000 2.846 155 Y HA 0.378 4.927 4.550 -0.000 0.000 0.258 155 Y C 0.476 176.390 175.900 0.023 0.000 1.077 155 Y CA -0.769 57.335 58.100 0.006 0.000 1.270 155 Y CB 0.442 38.884 38.460 -0.029 0.000 1.476 155 Y HN -0.099 nan 8.280 nan 0.000 0.460 156 L N 1.287 122.614 121.223 0.174 0.000 2.485 156 L HA 0.086 4.425 4.340 -0.000 0.000 0.275 156 L C 0.010 176.954 176.870 0.124 0.000 1.207 156 L CA -0.289 54.625 54.840 0.123 0.000 0.855 156 L CB 0.253 42.342 42.059 0.051 0.000 1.114 156 L HN -0.230 nan 8.230 nan 0.000 0.485 157 V N 3.743 123.766 119.914 0.181 0.000 2.485 157 V HA 0.061 4.181 4.120 -0.000 0.000 0.287 157 V C 0.337 176.526 176.094 0.158 0.000 1.022 157 V CA 0.184 62.606 62.300 0.204 0.000 1.067 157 V CB 0.498 32.488 31.823 0.279 0.000 0.967 157 V HN 0.926 nan 8.190 nan 0.000 0.479 158 Q N 3.945 123.801 119.800 0.094 0.000 2.626 158 Q HA 0.464 4.804 4.340 -0.000 0.000 0.300 158 Q C -0.865 175.111 176.000 -0.040 0.000 0.988 158 Q CA -1.003 54.714 55.803 -0.143 0.000 0.761 158 Q CB 1.740 30.392 28.738 -0.143 0.000 1.494 158 Q HN 0.509 nan 8.270 nan 0.000 0.439 159 N N 0.416 119.008 118.700 -0.179 0.000 2.426 159 N HA 0.203 4.943 4.740 -0.000 0.000 0.257 159 N C -0.158 175.334 175.510 -0.030 0.000 1.002 159 N CA -0.062 52.991 53.050 0.006 0.000 0.942 159 N CB 0.981 39.501 38.487 0.055 0.000 1.112 159 N HN 0.625 nan 8.380 nan 0.000 0.499 160 R N 2.021 122.523 120.500 0.004 0.000 2.276 160 R HA 0.015 4.355 4.340 -0.000 0.000 0.203 160 R C 1.492 177.790 176.300 -0.002 0.000 1.017 160 R CA 0.616 56.715 56.100 -0.003 0.000 1.010 160 R CB 0.345 30.651 30.300 0.009 0.000 0.900 160 R HN 0.437 nan 8.270 nan 0.000 0.469 161 V N -0.184 119.732 119.914 0.004 0.000 2.251 161 V HA -0.202 3.918 4.120 -0.000 0.000 0.237 161 V C 2.534 178.626 176.094 -0.003 0.000 1.040 161 V CA 2.191 64.493 62.300 0.004 0.000 1.005 161 V CB -1.203 30.627 31.823 0.011 0.000 0.645 161 V HN 0.398 nan 8.190 nan 0.000 0.458 162 T N -1.293 113.259 114.554 -0.004 0.000 2.759 162 T HA 0.023 4.373 4.350 -0.000 0.000 0.269 162 T C 1.736 176.416 174.700 -0.034 0.000 1.042 162 T CA 2.344 64.436 62.100 -0.013 0.000 1.140 162 T CB -0.352 68.511 68.868 -0.007 0.000 0.864 162 T HN 1.440 nan 8.240 nan 0.000 0.455 163 G N 0.888 109.653 108.800 -0.058 0.000 2.213 163 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.226 163 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.226 163 G C -0.141 174.673 174.900 -0.143 0.000 0.992 163 G CA 0.036 45.093 45.100 -0.073 0.000 0.632 163 G HN 0.702 nan 8.290 nan 0.000 0.511 164 E N 0.167 120.245 120.200 -0.203 0.000 2.529 164 E HA 0.277 4.627 4.350 -0.000 0.000 0.259 164 E C -0.109 176.146 176.600 -0.575 0.000 0.966 164 E CA 0.240 56.429 56.400 -0.353 0.000 0.937 164 E CB 0.724 30.189 29.700 -0.392 0.000 0.923 164 E HN 0.333 nan 8.360 nan 0.000 0.468 165 I N 3.473 123.759 120.570 -0.474 0.000 2.336 165 I HA 0.029 4.199 4.170 -0.000 0.000 0.292 165 I C -0.088 175.764 176.117 -0.442 0.000 0.991 165 I CA -0.030 61.015 61.300 -0.426 0.000 1.227 165 I CB 0.697 38.548 38.000 -0.249 0.000 1.366 165 I HN 0.522 nan 8.210 nan 0.000 0.466 166 Y N 3.967 124.230 120.300 -0.062 0.000 2.497 166 Y HA 0.212 4.762 4.550 -0.000 0.000 0.265 166 Y C 0.910 176.847 175.900 0.062 0.000 1.111 166 Y CA -0.307 57.770 58.100 -0.039 0.000 1.288 166 Y CB -0.033 38.394 38.460 -0.055 0.000 1.082 166 Y HN 0.556 nan 8.280 nan 0.000 0.536 167 E N -0.608 119.703 120.200 0.186 0.000 2.450 167 E HA 0.571 4.921 4.350 -0.000 0.000 0.272 167 E C -0.977 175.675 176.600 0.086 0.000 0.967 167 E CA -1.002 55.580 56.400 0.302 0.000 0.818 167 E CB 2.010 32.033 29.700 0.539 0.000 1.401 167 E HN -0.098 nan 8.360 nan 0.000 0.450 168 S N -0.538 115.260 115.700 0.163 0.000 2.566 168 S HA 0.583 5.053 4.470 -0.000 0.000 0.298 168 S C 0.893 175.547 174.600 0.090 0.000 1.083 168 S CA -0.066 58.155 58.200 0.036 0.000 0.978 168 S CB 1.476 64.659 63.200 -0.029 0.000 1.073 168 S HN 0.820 nan 8.310 nan 0.000 0.491 169 A N 2.317 125.188 122.820 0.085 0.000 1.927 169 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 169 A C 2.118 179.783 177.584 0.135 0.000 1.185 169 A CA 1.903 53.985 52.037 0.076 0.000 0.639 169 A CB -0.998 18.148 19.000 0.243 0.000 0.820 169 A HN 0.813 nan 8.150 nan 0.000 0.451 170 Q N -1.256 118.695 119.800 0.250 0.000 2.170 170 Q HA -0.096 4.244 4.340 -0.000 0.000 0.203 170 Q C 1.784 178.020 176.000 0.393 0.000 0.976 170 Q CA 1.115 57.131 55.803 0.355 0.000 0.858 170 Q CB -0.587 28.230 28.738 0.131 0.000 0.907 170 Q HN 0.714 nan 8.270 nan 0.000 0.433 171 F N 0.409 120.516 119.950 0.262 0.000 2.206 171 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 171 F C 2.192 178.118 175.800 0.211 0.000 1.090 171 F CA 0.078 58.209 58.000 0.218 0.000 1.323 171 F CB -1.116 37.994 39.000 0.183 0.000 1.028 171 F HN 0.069 nan 8.300 nan 0.000 0.492 172 L N -0.888 120.544 121.223 0.348 0.000 1.955 172 L HA -0.307 4.033 4.340 -0.000 0.000 0.213 172 L C 2.496 179.507 176.870 0.235 0.000 1.072 172 L CA 1.779 56.731 54.840 0.187 0.000 0.755 172 L CB -0.826 41.236 42.059 0.005 0.000 0.888 172 L HN -0.004 nan 8.230 nan 0.000 0.432 173 Y N -0.269 120.234 120.300 0.339 0.000 2.081 173 Y HA -0.320 4.230 4.550 -0.000 0.000 0.280 173 Y C 2.426 178.596 175.900 0.449 0.000 1.163 173 Y CA 1.823 60.139 58.100 0.360 0.000 1.135 173 Y CB -0.895 37.756 38.460 0.319 0.000 0.970 173 Y HN 0.275 nan 8.280 nan 0.000 0.498 174 I N -0.256 120.694 120.570 0.632 0.000 2.226 174 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 174 I C 2.026 178.277 176.117 0.224 0.000 1.100 174 I CA 1.478 62.990 61.300 0.354 0.000 1.374 174 I CB -0.534 37.516 38.000 0.083 0.000 1.057 174 I HN 0.142 nan 8.210 nan 0.000 0.413 175 L N -1.333 120.000 121.223 0.184 0.000 2.179 175 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 175 L C 2.438 179.334 176.870 0.042 0.000 1.096 175 L CA 0.473 55.337 54.840 0.040 0.000 0.779 175 L CB -0.685 41.311 42.059 -0.107 0.000 0.922 175 L HN 0.050 nan 8.230 nan 0.000 0.443 176 V N 0.521 120.510 119.914 0.126 0.000 2.332 176 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 176 V C 2.840 178.973 176.094 0.065 0.000 1.055 176 V CA 1.892 64.245 62.300 0.087 0.000 1.038 176 V CB -1.036 30.910 31.823 0.204 0.000 0.651 176 V HN 0.477 nan 8.190 nan 0.000 0.450 177 A N 0.328 123.286 122.820 0.229 0.000 1.841 177 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 177 A C 2.500 180.158 177.584 0.125 0.000 1.199 177 A CA 2.617 54.788 52.037 0.224 0.000 0.621 177 A CB -1.189 18.040 19.000 0.383 0.000 0.835 177 A HN 0.608 nan 8.150 nan 0.000 0.445 178 A N -0.874 121.982 122.820 0.060 0.000 1.884 178 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 178 A C 2.380 180.017 177.584 0.089 0.000 1.197 178 A CA 2.071 54.099 52.037 -0.014 0.000 0.637 178 A CB -1.530 17.272 19.000 -0.329 0.000 0.827 178 A HN 0.678 nan 8.150 nan 0.000 0.450 179 C N -0.710 118.574 119.300 -0.025 0.000 2.413 179 C HA -0.099 4.361 4.460 -0.000 0.000 0.277 179 C C 2.616 177.398 174.990 -0.347 0.000 1.228 179 C CA 1.069 60.003 59.018 -0.139 0.000 1.731 179 C CB -1.599 25.973 27.740 -0.281 0.000 2.042 179 C HN 0.631 nan 8.230 nan 0.000 0.468 180 L N -0.941 120.011 121.223 -0.452 0.000 2.187 180 L HA -0.127 4.213 4.340 -0.000 0.000 0.213 180 L C 1.551 178.001 176.870 -0.701 0.000 1.100 180 L CA 1.625 56.071 54.840 -0.656 0.000 0.765 180 L CB -0.500 41.090 42.059 -0.782 0.000 0.904 180 L HN 0.333 nan 8.230 nan 0.000 0.437 181 F N -1.066 118.718 119.950 -0.277 0.000 2.668 181 F HA 0.062 4.588 4.527 -0.000 0.000 0.301 181 F C 2.273 178.079 175.800 0.009 0.000 1.106 181 F CA 0.180 58.014 58.000 -0.277 0.000 1.289 181 F CB -0.095 38.644 39.000 -0.435 0.000 1.006 181 F HN 0.008 nan 8.300 nan 0.000 0.535 182 S N 0.074 115.872 115.700 0.164 0.000 2.383 182 S HA -0.239 4.231 4.470 -0.000 0.000 0.229 182 S C 1.660 176.303 174.600 0.071 0.000 1.030 182 S CA 1.719 60.003 58.200 0.139 0.000 1.002 182 S CB -0.388 62.912 63.200 0.167 0.000 0.829 182 S HN 0.316 nan 8.310 nan 0.000 0.467 183 N N 0.542 119.318 118.700 0.127 0.000 2.449 183 N HA 0.218 4.958 4.740 -0.000 0.000 0.191 183 N C -0.727 174.853 175.510 0.117 0.000 1.161 183 N CA 0.104 53.207 53.050 0.089 0.000 0.863 183 N CB -0.391 38.130 38.487 0.057 0.000 0.980 183 N HN 0.478 nan 8.380 nan 0.000 0.458 184 Y N 1.460 121.764 120.300 0.007 0.000 2.326 184 Y HA 0.203 4.753 4.550 -0.000 0.000 0.333 184 Y C -1.597 174.318 175.900 0.025 0.000 1.240 184 Y CA -2.407 55.716 58.100 0.038 0.000 1.365 184 Y CB 0.072 38.609 38.460 0.129 0.000 1.289 184 Y HN 0.020 nan 8.280 nan 0.000 0.548 185 P HA -0.020 nan 4.420 nan 0.000 0.264 185 P C 0.240 177.594 177.300 0.090 0.000 1.183 185 P CA 0.055 63.182 63.100 0.045 0.000 0.763 185 P CB 0.718 32.430 31.700 0.021 0.000 0.807 186 R N 2.857 123.383 120.500 0.043 0.000 2.117 186 R HA -0.203 4.137 4.340 -0.000 0.000 0.243 186 R C 1.835 178.173 176.300 0.065 0.000 1.143 186 R CA 1.403 57.528 56.100 0.042 0.000 0.968 186 R CB -0.955 29.349 30.300 0.008 0.000 0.863 186 R HN 0.606 nan 8.270 nan 0.000 0.444 187 E N 0.336 120.570 120.200 0.057 0.000 2.114 187 E HA -0.189 4.161 4.350 -0.000 0.000 0.199 187 E C 1.098 177.745 176.600 0.078 0.000 1.008 187 E CA 2.260 58.692 56.400 0.054 0.000 0.810 187 E CB 0.202 29.928 29.700 0.042 0.000 0.739 187 E HN 0.569 nan 8.360 nan 0.000 0.456 188 T N -3.228 111.413 114.554 0.145 0.000 2.959 188 T HA 0.167 4.517 4.350 -0.000 0.000 0.254 188 T C 1.563 176.431 174.700 0.280 0.000 1.003 188 T CA 0.017 62.234 62.100 0.194 0.000 0.950 188 T CB 0.089 69.150 68.868 0.322 0.000 1.090 188 T HN 0.001 nan 8.240 nan 0.000 0.503 189 R N 1.383 122.065 120.500 0.303 0.000 2.168 189 R HA -0.074 4.266 4.340 -0.000 0.000 0.242 189 R C 2.095 178.510 176.300 0.192 0.000 1.123 189 R CA 2.038 58.310 56.100 0.286 0.000 0.928 189 R CB -0.840 29.598 30.300 0.230 0.000 0.873 189 R HN 0.389 nan 8.270 nan 0.000 0.434 190 L N 0.383 121.712 121.223 0.177 0.000 2.291 190 L HA -0.136 4.204 4.340 -0.000 0.000 0.214 190 L C 2.747 179.666 176.870 0.082 0.000 1.120 190 L CA 1.226 56.189 54.840 0.205 0.000 0.799 190 L CB -0.534 41.682 42.059 0.262 0.000 0.925 190 L HN 0.543 nan 8.230 nan 0.000 0.446 191 Q N -0.258 119.522 119.800 -0.034 0.000 2.079 191 Q HA -0.227 4.112 4.340 -0.000 0.000 0.200 191 Q C 2.196 177.991 176.000 -0.341 0.000 0.974 191 Q CA 1.641 57.314 55.803 -0.216 0.000 0.840 191 Q CB -0.172 28.427 28.738 -0.231 0.000 0.898 191 Q HN 0.372 nan 8.270 nan 0.000 0.430 192 Y N 0.340 120.448 120.300 -0.320 0.000 2.145 192 Y HA -0.227 4.323 4.550 -0.000 0.000 0.286 192 Y C 2.475 177.982 175.900 -0.655 0.000 1.145 192 Y CA 1.300 59.017 58.100 -0.639 0.000 1.148 192 Y CB -0.568 37.231 38.460 -1.100 0.000 0.981 192 Y HN -0.046 nan 8.280 nan 0.000 0.507 193 V N 0.506 120.272 119.914 -0.247 0.000 2.252 193 V HA -0.396 3.724 4.120 -0.000 0.000 0.249 193 V C 2.442 178.539 176.094 0.005 0.000 1.056 193 V CA 2.430 64.701 62.300 -0.049 0.000 1.022 193 V CB -0.650 31.253 31.823 0.132 0.000 0.641 193 V HN 0.374 nan 8.190 nan 0.000 0.445 194 K N -0.212 120.060 120.400 -0.213 0.000 2.002 194 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 194 K C 2.415 178.879 176.600 -0.227 0.000 1.048 194 K CA 1.682 57.661 56.287 -0.514 0.000 0.930 194 K CB -0.220 31.423 32.500 -1.429 0.000 0.714 194 K HN 0.337 nan 8.250 nan 0.000 0.438 195 R N -0.402 119.945 120.500 -0.254 0.000 2.094 195 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 195 R C 2.392 178.648 176.300 -0.074 0.000 1.137 195 R CA 2.012 58.003 56.100 -0.181 0.000 0.943 195 R CB -0.649 29.521 30.300 -0.217 0.000 0.850 195 R HN 0.279 nan 8.270 nan 0.000 0.433 196 F N 0.601 120.454 119.950 -0.162 0.000 2.134 196 F HA -0.273 4.254 4.527 -0.000 0.000 0.299 196 F C 2.379 178.143 175.800 -0.061 0.000 1.097 196 F CA 1.519 59.474 58.000 -0.075 0.000 1.264 196 F CB -0.547 38.447 39.000 -0.009 0.000 1.001 196 F HN 0.024 nan 8.300 nan 0.000 0.479 197 Y N 1.290 121.649 120.300 0.099 0.000 2.081 197 Y HA -0.325 4.225 4.550 -0.000 0.000 0.280 197 Y C 2.246 178.041 175.900 -0.175 0.000 1.163 197 Y CA 2.260 60.376 58.100 0.027 0.000 1.135 197 Y CB -0.968 37.552 38.460 0.100 0.000 0.970 197 Y HN 0.060 nan 8.280 nan 0.000 0.498 198 D N 0.411 120.610 120.400 -0.335 0.000 2.106 198 D HA -0.242 4.398 4.640 -0.000 0.000 0.191 198 D C 2.382 178.374 176.300 -0.514 0.000 0.997 198 D CA 1.849 55.583 54.000 -0.444 0.000 0.834 198 D CB -0.904 39.762 40.800 -0.222 0.000 0.956 198 D HN 0.514 nan 8.370 nan 0.000 0.448 199 A N 0.745 123.314 122.820 -0.419 0.000 1.859 199 A HA -0.218 4.101 4.320 -0.000 0.000 0.217 199 A C 2.554 179.818 177.584 -0.533 0.000 1.198 199 A CA 3.128 54.915 52.037 -0.417 0.000 0.629 199 A CB -1.148 17.628 19.000 -0.374 0.000 0.830 199 A HN 0.248 nan 8.150 nan 0.000 0.446 200 V N -1.239 118.251 119.914 -0.708 0.000 2.358 200 V HA -0.171 3.948 4.120 -0.000 0.000 0.246 200 V C 2.384 177.817 176.094 -1.101 0.000 1.047 200 V CA 2.515 64.372 62.300 -0.739 0.000 1.035 200 V CB -1.484 29.952 31.823 -0.645 0.000 0.658 200 V HN 0.698 nan 8.190 nan 0.000 0.452 201 S N 1.809 116.717 115.700 -1.320 0.000 2.447 201 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 201 S C 1.707 175.591 174.600 -1.194 0.000 1.006 201 S CA 1.407 58.810 58.200 -1.329 0.000 0.957 201 S CB -1.111 61.430 63.200 -1.098 0.000 0.773 201 S HN 0.946 nan 8.310 nan 0.000 0.507 202 T N -1.885 112.098 114.554 -0.952 0.000 3.243 202 T HA 0.404 4.753 4.350 -0.000 0.000 0.264 202 T C 0.114 174.447 174.700 -0.612 0.000 1.000 202 T CA -0.739 60.862 62.100 -0.831 0.000 0.901 202 T CB -1.180 67.411 68.868 -0.462 0.000 1.083 202 T HN 0.226 nan 8.240 nan 0.000 0.559 203 F N -0.399 119.401 119.950 -0.251 0.000 3.100 203 F HA -0.222 4.305 4.527 0.000 0.000 0.284 203 F C 1.215 176.958 175.800 -0.094 0.000 0.875 203 F CA 0.247 58.164 58.000 -0.139 0.000 1.039 203 F CB -2.459 36.504 39.000 -0.062 0.000 1.111 203 F HN 0.292 nan 8.300 nan 0.000 0.575 204 K N 0.267 120.644 120.400 -0.038 0.000 2.116 204 K HA 0.260 4.580 4.320 -0.000 0.000 0.203 204 K C 0.738 177.366 176.600 0.046 0.000 1.052 204 K CA 1.099 57.387 56.287 0.003 0.000 0.952 204 K CB 0.218 32.681 32.500 -0.061 0.000 0.729 204 K HN 0.432 nan 8.250 nan 0.000 0.446 205 I N 0.172 120.714 120.570 -0.046 0.000 2.406 205 I HA 0.160 4.330 4.170 -0.000 0.000 0.290 205 I C -0.444 175.655 176.117 -0.031 0.000 0.999 205 I CA -0.518 60.748 61.300 -0.057 0.000 1.124 205 I CB 2.138 40.032 38.000 -0.176 0.000 1.289 205 I HN -0.137 nan 8.210 nan 0.000 0.441 206 S N 6.002 121.710 115.700 0.013 0.000 2.617 206 S HA 0.739 5.209 4.470 -0.000 0.000 0.283 206 S C -0.549 174.095 174.600 0.073 0.000 1.189 206 S CA -0.466 57.786 58.200 0.086 0.000 1.036 206 S CB 0.995 64.257 63.200 0.103 0.000 1.014 206 S HN 0.337 nan 8.310 nan 0.000 0.522 207 L N 3.474 124.785 121.223 0.147 0.000 2.401 207 L HA 0.501 4.841 4.340 -0.000 0.000 0.266 207 L C -2.293 174.650 176.870 0.123 0.000 0.991 207 L CA -2.308 52.602 54.840 0.116 0.000 0.818 207 L CB 2.356 44.498 42.059 0.140 0.000 1.321 207 L HN 0.447 nan 8.230 nan 0.000 0.413 208 P HA 0.057 nan 4.420 nan 0.000 0.268 208 P C 0.449 177.768 177.300 0.033 0.000 1.208 208 P CA -0.141 63.002 63.100 0.072 0.000 0.777 208 P CB 0.569 32.298 31.700 0.049 0.000 0.875 209 T N 2.780 117.376 114.554 0.069 0.000 2.635 209 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 209 T C -0.803 173.851 174.700 -0.076 0.000 1.040 209 T CA 2.352 64.451 62.100 -0.000 0.000 1.156 209 T CB -1.743 67.220 68.868 0.159 0.000 0.863 209 T HN 0.554 nan 8.240 nan 0.000 0.430 210 P HA -0.021 nan 4.420 nan 0.000 0.216 210 P C 1.523 178.921 177.300 0.164 0.000 1.150 210 P CA 1.102 64.266 63.100 0.107 0.000 0.837 210 P CB -0.205 31.580 31.700 0.142 0.000 0.786 211 I N -1.057 119.542 120.570 0.048 0.000 2.110 211 I HA -0.203 3.967 4.170 -0.000 0.000 0.236 211 I C 2.695 178.743 176.117 -0.116 0.000 1.068 211 I CA 1.333 62.584 61.300 -0.083 0.000 1.333 211 I CB -0.683 37.244 38.000 -0.122 0.000 1.054 211 I HN -0.176 nan 8.210 nan 0.000 0.402 212 M N 0.643 120.118 119.600 -0.208 0.000 2.108 212 M HA -0.218 4.262 4.480 -0.000 0.000 0.257 212 M C 2.580 178.681 176.300 -0.333 0.000 1.071 212 M CA 2.303 57.386 55.300 -0.360 0.000 1.093 212 M CB -1.504 30.497 32.600 -0.998 0.000 1.345 212 M HN 0.419 nan 8.290 nan 0.000 0.403 213 S N -0.887 114.630 115.700 -0.305 0.000 2.414 213 S HA 0.043 4.513 4.470 -0.000 0.000 0.227 213 S C 1.998 176.639 174.600 0.068 0.000 1.022 213 S CA 0.924 59.074 58.200 -0.084 0.000 0.958 213 S CB -0.738 62.443 63.200 -0.032 0.000 0.797 213 S HN 0.520 nan 8.310 nan 0.000 0.493 214 G N 1.339 110.233 108.800 0.156 0.000 2.570 214 G HA2 0.221 4.181 3.960 -0.000 0.000 0.209 214 G HA3 0.221 4.181 3.960 -0.000 0.000 0.209 214 G C 0.296 175.428 174.900 0.386 0.000 1.168 214 G CA 0.055 45.359 45.100 0.339 0.000 0.831 214 G HN 0.393 nan 8.290 nan 0.000 0.564 215 V N 2.935 122.976 119.914 0.213 0.000 2.486 215 V HA 0.173 4.293 4.120 -0.000 0.000 0.290 215 V C 1.228 177.353 176.094 0.052 0.000 0.991 215 V CA 1.748 64.063 62.300 0.024 0.000 1.142 215 V CB -0.364 31.271 31.823 -0.313 0.000 0.926 215 V HN 0.855 nan 8.190 nan 0.000 0.472 216 R N 2.329 122.894 120.500 0.108 0.000 1.824 216 R HA -0.110 4.230 4.340 -0.000 0.000 0.369 216 R C 0.320 176.670 176.300 0.083 0.000 0.207 216 R CA 0.674 56.764 56.100 -0.016 0.000 1.427 216 R CB -1.602 28.574 30.300 -0.207 0.000 1.829 216 R HN 0.730 nan 8.270 nan 0.000 0.191 217 T N -1.608 113.066 114.554 0.200 0.000 2.923 217 T HA 0.612 4.962 4.350 -0.000 0.000 0.281 217 T C -2.001 172.793 174.700 0.155 0.000 0.995 217 T CA -1.471 60.759 62.100 0.217 0.000 0.985 217 T CB 2.075 71.064 68.868 0.202 0.000 1.114 217 T HN -0.113 nan 8.240 nan 0.000 0.548 218 P HA 0.089 nan 4.420 nan 0.000 0.230 218 P C 0.830 178.109 177.300 -0.034 0.000 1.158 218 P CA 0.494 63.599 63.100 0.009 0.000 0.769 218 P CB -0.254 31.440 31.700 -0.011 0.000 0.807 219 T N -0.010 114.529 114.554 -0.024 0.000 2.701 219 T HA 0.155 4.505 4.350 -0.000 0.000 0.303 219 T C 0.930 175.492 174.700 -0.230 0.000 1.030 219 T CA 0.012 62.027 62.100 -0.141 0.000 1.010 219 T CB 0.192 68.959 68.868 -0.169 0.000 1.007 219 T HN -0.137 nan 8.240 nan 0.000 0.532 220 R N 1.306 121.534 120.500 -0.452 0.000 2.534 220 R HA 0.187 4.527 4.340 -0.000 0.000 0.438 220 R C -0.858 174.965 176.300 -0.796 0.000 0.913 220 R CA -0.313 55.468 56.100 -0.531 0.000 1.130 220 R CB 0.606 30.735 30.300 -0.285 0.000 1.611 220 R HN 0.495 nan 8.270 nan 0.000 0.571 221 Q N 0.218 119.431 119.800 -0.979 0.000 2.400 221 Q HA 0.375 4.715 4.340 -0.000 0.000 0.255 221 Q C -0.152 175.380 176.000 -0.781 0.000 1.008 221 Q CA -0.175 55.233 55.803 -0.658 0.000 0.841 221 Q CB 0.709 29.235 28.738 -0.353 0.000 1.220 221 Q HN 0.030 nan 8.270 nan 0.000 0.474 222 F N -0.987 118.941 119.950 -0.037 0.000 2.781 222 F HA 0.091 4.617 4.527 -0.000 0.000 0.322 222 F C 0.889 176.681 175.800 -0.013 0.000 1.108 222 F CA -0.586 57.403 58.000 -0.018 0.000 1.179 222 F CB 0.371 39.363 39.000 -0.012 0.000 1.072 222 F HN 0.156 nan 8.300 nan 0.000 0.545 223 S N -0.542 115.217 115.700 0.097 0.000 2.546 223 S HA 0.109 4.579 4.470 -0.000 0.000 0.290 223 S C 1.040 175.670 174.600 0.051 0.000 1.290 223 S CA -0.019 58.223 58.200 0.070 0.000 1.069 223 S CB 1.477 64.743 63.200 0.110 0.000 0.846 223 S HN 0.161 nan 8.310 nan 0.000 0.495 224 S N 1.333 117.046 115.700 0.023 0.000 2.506 224 S HA 0.255 4.725 4.470 -0.000 0.000 0.230 224 S C 0.462 175.050 174.600 -0.020 0.000 1.066 224 S CA 0.374 58.584 58.200 0.016 0.000 0.940 224 S CB -0.191 63.021 63.200 0.020 0.000 0.818 224 S HN 1.018 nan 8.310 nan 0.000 0.518 225 c N 1.129 119.691 118.600 -0.063 0.000 3.082 225 c HA 0.883 5.453 4.570 -0.000 0.000 0.324 225 c C -0.479 173.500 174.090 -0.185 0.000 1.210 225 c CA -1.547 54.719 56.329 -0.104 0.000 1.366 225 c CB 0.773 43.242 42.510 -0.069 0.000 1.756 225 c HN 0.280 nan 8.230 nan 0.000 0.485 226 V N -0.299 119.461 119.914 -0.257 0.000 3.046 226 V HA 0.936 5.056 4.120 -0.000 0.000 0.316 226 V C -1.196 174.789 176.094 -0.182 0.000 1.104 226 V CA -0.811 61.296 62.300 -0.321 0.000 1.006 226 V CB 1.757 33.182 31.823 -0.663 0.000 1.058 226 V HN 0.817 nan 8.190 nan 0.000 0.440 227 L N 3.447 124.582 121.223 -0.147 0.000 2.372 227 L HA 0.660 5.000 4.340 -0.000 0.000 0.274 227 L C -0.484 176.329 176.870 -0.094 0.000 0.988 227 L CA 0.104 54.879 54.840 -0.109 0.000 0.833 227 L CB 1.492 43.479 42.059 -0.119 0.000 1.236 227 L HN 0.619 nan 8.230 nan 0.000 0.410 228 I N 2.062 122.582 120.570 -0.084 0.000 2.530 228 I HA 0.475 4.645 4.170 -0.000 0.000 0.297 228 I C -0.262 175.809 176.117 -0.076 0.000 1.011 228 I CA -0.630 60.629 61.300 -0.068 0.000 1.107 228 I CB 2.183 40.142 38.000 -0.068 0.000 1.285 228 I HN 0.561 nan 8.210 nan 0.000 0.436 229 E N 4.833 125.000 120.200 -0.055 0.000 2.165 229 E HA 0.325 4.675 4.350 -0.000 0.000 0.266 229 E C -1.643 174.947 176.600 -0.016 0.000 0.889 229 E CA -0.606 55.771 56.400 -0.039 0.000 0.756 229 E CB 1.889 31.564 29.700 -0.042 0.000 1.131 229 E HN 0.706 nan 8.360 nan 0.000 0.411 230 C N 4.446 123.748 119.300 0.002 0.000 2.369 230 C HA 0.721 5.181 4.460 -0.000 0.000 0.358 230 C C 0.864 175.892 174.990 0.063 0.000 1.274 230 C CA -0.105 58.943 59.018 0.051 0.000 1.935 230 C CB -0.593 27.217 27.740 0.117 0.000 2.431 230 C HN 0.838 nan 8.230 nan 0.000 0.545 231 G N 3.207 112.039 108.800 0.054 0.000 2.528 231 G HA2 0.301 4.261 3.960 -0.000 0.000 0.289 231 G HA3 0.301 4.261 3.960 -0.000 0.000 0.289 231 G C -0.395 174.537 174.900 0.053 0.000 1.192 231 G CA -0.150 44.966 45.100 0.026 0.000 0.921 231 G HN 0.795 nan 8.290 nan 0.000 0.512 232 D N -0.428 119.970 120.400 -0.004 0.000 2.688 232 D HA 0.335 4.975 4.640 -0.000 0.000 0.228 232 D C 0.231 176.522 176.300 -0.015 0.000 1.116 232 D CA 0.053 54.029 54.000 -0.041 0.000 1.023 232 D CB -0.485 40.200 40.800 -0.192 0.000 1.100 232 D HN 0.467 nan 8.370 nan 0.000 0.487 233 S N 0.610 116.445 115.700 0.225 0.000 2.543 233 S HA 0.222 4.692 4.470 -0.000 0.000 0.274 233 S C 0.901 175.617 174.600 0.192 0.000 1.149 233 S CA -0.927 57.432 58.200 0.266 0.000 0.866 233 S CB 0.679 63.939 63.200 0.101 0.000 1.111 233 S HN 0.108 nan 8.310 nan 0.000 0.457 234 L N 1.118 122.419 121.223 0.130 0.000 2.042 234 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 234 L C 2.063 178.938 176.870 0.008 0.000 1.076 234 L CA 1.708 56.522 54.840 -0.043 0.000 0.749 234 L CB -0.733 41.309 42.059 -0.029 0.000 0.893 234 L HN 0.720 nan 8.230 nan 0.000 0.432 235 D N -0.483 119.944 120.400 0.046 0.000 2.116 235 D HA -0.217 4.423 4.640 -0.000 0.000 0.193 235 D C 2.368 178.703 176.300 0.059 0.000 0.998 235 D CA 1.802 55.831 54.000 0.049 0.000 0.836 235 D CB -0.136 40.693 40.800 0.048 0.000 0.951 235 D HN 0.149 nan 8.370 nan 0.000 0.449 236 S N -0.492 115.246 115.700 0.065 0.000 2.368 236 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 236 S C 2.176 176.845 174.600 0.115 0.000 1.029 236 S CA 0.406 58.653 58.200 0.078 0.000 0.988 236 S CB -0.221 63.023 63.200 0.074 0.000 0.838 236 S HN 0.166 nan 8.310 nan 0.000 0.462 237 I N 2.013 122.637 120.570 0.089 0.000 2.118 237 I HA -0.255 3.915 4.170 -0.000 0.000 0.241 237 I C 2.350 178.599 176.117 0.221 0.000 1.070 237 I CA 1.298 62.678 61.300 0.134 0.000 1.327 237 I CB -0.597 37.263 38.000 -0.234 0.000 1.034 237 I HN 0.293 nan 8.210 nan 0.000 0.405 238 N N 1.088 119.865 118.700 0.129 0.000 2.036 238 N HA -0.195 4.544 4.740 -0.000 0.000 0.195 238 N C 1.888 177.491 175.510 0.156 0.000 1.037 238 N CA 1.906 55.049 53.050 0.155 0.000 0.855 238 N CB -0.606 37.939 38.487 0.096 0.000 1.033 238 N HN 0.408 nan 8.380 nan 0.000 0.423 239 A N 0.367 123.258 122.820 0.119 0.000 1.883 239 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 239 A C 2.392 180.041 177.584 0.108 0.000 1.186 239 A CA 2.404 54.500 52.037 0.097 0.000 0.624 239 A CB -1.320 17.725 19.000 0.075 0.000 0.822 239 A HN 0.381 nan 8.150 nan 0.000 0.444 240 T N -0.368 114.263 114.554 0.129 0.000 2.607 240 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 240 T C 2.273 177.042 174.700 0.115 0.000 1.049 240 T CA 2.041 64.193 62.100 0.087 0.000 1.162 240 T CB -0.595 68.307 68.868 0.056 0.000 0.863 240 T HN 0.567 nan 8.240 nan 0.000 0.424 241 S N 0.488 116.351 115.700 0.271 0.000 2.365 241 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 241 S C 2.399 177.074 174.600 0.125 0.000 1.039 241 S CA 1.912 60.258 58.200 0.243 0.000 1.033 241 S CB -0.648 62.715 63.200 0.272 0.000 0.887 241 S HN 0.445 nan 8.310 nan 0.000 0.447 242 S N 1.249 117.019 115.700 0.117 0.000 2.359 242 S HA -0.074 4.396 4.470 -0.000 0.000 0.224 242 S C 2.233 176.867 174.600 0.057 0.000 1.035 242 S CA 1.226 59.471 58.200 0.075 0.000 1.018 242 S CB -0.877 62.364 63.200 0.069 0.000 0.876 242 S HN 0.734 nan 8.310 nan 0.000 0.448 243 A N 1.616 124.478 122.820 0.071 0.000 1.873 243 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 243 A C 2.071 179.734 177.584 0.131 0.000 1.193 243 A CA 1.701 53.795 52.037 0.094 0.000 0.629 243 A CB -0.960 18.114 19.000 0.123 0.000 0.826 243 A HN 0.499 nan 8.150 nan 0.000 0.447 244 I N -0.450 120.183 120.570 0.105 0.000 2.151 244 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 244 I C 2.393 178.566 176.117 0.093 0.000 1.080 244 I CA 1.603 62.962 61.300 0.099 0.000 1.339 244 I CB -0.521 37.506 38.000 0.046 0.000 1.039 244 I HN 0.189 nan 8.210 nan 0.000 0.409 245 V N 0.921 120.871 119.914 0.059 0.000 2.287 245 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 245 V C 2.539 178.642 176.094 0.016 0.000 1.053 245 V CA 1.756 64.078 62.300 0.036 0.000 1.027 245 V CB -0.743 31.096 31.823 0.025 0.000 0.646 245 V HN 0.374 nan 8.190 nan 0.000 0.447 246 K N -0.813 119.575 120.400 -0.021 0.000 2.032 246 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 246 K C 2.118 178.642 176.600 -0.127 0.000 1.048 246 K CA 1.808 58.029 56.287 -0.111 0.000 0.927 246 K CB -0.600 31.774 32.500 -0.211 0.000 0.712 246 K HN 0.482 nan 8.250 nan 0.000 0.441 247 Y N 1.130 121.429 120.300 -0.002 0.000 2.242 247 Y HA -0.157 4.392 4.550 -0.000 0.000 0.291 247 Y C 2.355 178.251 175.900 -0.006 0.000 1.137 247 Y CA 0.839 58.935 58.100 -0.006 0.000 1.181 247 Y CB -0.563 37.896 38.460 -0.003 0.000 0.989 247 Y HN -0.095 nan 8.280 nan 0.000 0.527 248 V N -2.480 117.522 119.914 0.146 0.000 2.809 248 V HA -0.137 3.983 4.120 -0.000 0.000 0.256 248 V C 2.193 178.322 176.094 0.058 0.000 1.080 248 V CA 1.461 63.816 62.300 0.090 0.000 1.102 248 V CB -1.140 30.721 31.823 0.063 0.000 0.705 248 V HN 0.424 nan 8.190 nan 0.000 0.475 249 S N 0.500 116.221 115.700 0.036 0.000 2.442 249 S HA -0.209 4.261 4.470 -0.000 0.000 0.236 249 S C 1.748 176.351 174.600 0.005 0.000 1.007 249 S CA 1.556 59.761 58.200 0.008 0.000 0.965 249 S CB -0.561 62.630 63.200 -0.015 0.000 0.773 249 S HN 0.750 nan 8.310 nan 0.000 0.504 250 Q N -0.018 119.796 119.800 0.023 0.000 2.201 250 Q HA 0.421 4.761 4.340 -0.000 0.000 0.217 250 Q C -0.039 175.993 176.000 0.053 0.000 0.860 250 Q CA -0.284 55.533 55.803 0.023 0.000 0.984 250 Q CB 0.170 28.918 28.738 0.017 0.000 1.095 250 Q HN 0.516 nan 8.270 nan 0.000 0.477 251 R N -1.838 118.695 120.500 0.055 0.000 3.989 251 R HA -0.203 4.137 4.340 -0.000 0.000 0.377 251 R C -0.262 176.074 176.300 0.059 0.000 1.158 251 R CA 0.545 56.675 56.100 0.052 0.000 1.035 251 R CB -2.153 28.171 30.300 0.041 0.000 1.557 251 R HN 0.285 nan 8.270 nan 0.000 0.551 252 A N 0.721 123.588 122.820 0.079 0.000 2.351 252 A HA 0.622 4.942 4.320 -0.000 0.000 0.257 252 A C 0.902 178.498 177.584 0.020 0.000 1.087 252 A CA 0.344 52.407 52.037 0.043 0.000 0.798 252 A CB 0.567 19.585 19.000 0.030 0.000 1.033 252 A HN 0.289 nan 8.150 nan 0.000 0.488 253 G N 0.726 109.523 108.800 -0.006 0.000 2.372 253 G HA2 0.509 4.468 3.960 -0.000 0.000 0.283 253 G HA3 0.509 4.468 3.960 -0.000 0.000 0.283 253 G C -0.282 174.602 174.900 -0.027 0.000 1.177 253 G CA -0.397 44.703 45.100 -0.001 0.000 0.842 253 G HN 0.507 nan 8.290 nan 0.000 0.503 254 I N 1.438 122.001 120.570 -0.012 0.000 2.412 254 I HA 0.493 4.663 4.170 -0.000 0.000 0.296 254 I C 0.670 176.788 176.117 0.001 0.000 0.987 254 I CA -0.856 60.426 61.300 -0.029 0.000 1.180 254 I CB 1.277 39.261 38.000 -0.025 0.000 1.340 254 I HN 0.503 nan 8.210 nan 0.000 0.455 255 G N 6.660 115.468 108.800 0.013 0.000 2.487 255 G HA2 0.726 4.686 3.960 -0.000 0.000 0.314 255 G HA3 0.726 4.686 3.960 -0.000 0.000 0.314 255 G C -0.826 174.127 174.900 0.087 0.000 1.267 255 G CA -0.327 44.859 45.100 0.143 0.000 0.937 255 G HN 0.458 nan 8.290 nan 0.000 0.481 256 I N 2.085 122.728 120.570 0.122 0.000 2.406 256 I HA 0.249 4.419 4.170 -0.000 0.000 0.290 256 I C -0.621 175.581 176.117 0.142 0.000 0.999 256 I CA -1.061 60.233 61.300 -0.011 0.000 1.124 256 I CB 2.266 40.134 38.000 -0.219 0.000 1.289 256 I HN 0.351 nan 8.210 nan 0.000 0.441 257 N N 5.323 124.062 118.700 0.065 0.000 2.426 257 N HA 0.511 5.251 4.740 -0.000 0.000 0.257 257 N C -0.279 175.310 175.510 0.133 0.000 1.002 257 N CA -0.313 52.830 53.050 0.154 0.000 0.942 257 N CB 1.663 40.192 38.487 0.069 0.000 1.112 257 N HN 0.728 nan 8.380 nan 0.000 0.499 258 A N 2.341 125.287 122.820 0.210 0.000 2.616 258 A HA 0.382 4.702 4.320 -0.000 0.000 0.294 258 A C 1.368 179.170 177.584 0.363 0.000 1.091 258 A CA -0.049 52.145 52.037 0.262 0.000 0.971 258 A CB -0.293 18.852 19.000 0.243 0.000 1.222 258 A HN 0.661 nan 8.150 nan 0.000 0.521 259 G N 0.549 109.577 108.800 0.381 0.000 2.443 259 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.219 259 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.219 259 G C 1.403 176.500 174.900 0.329 0.000 1.131 259 G CA 0.625 45.996 45.100 0.452 0.000 0.775 259 G HN 0.558 nan 8.290 nan 0.000 0.547 260 R N -0.306 120.246 120.500 0.086 0.000 2.297 260 R HA 0.285 4.625 4.340 -0.000 0.000 0.197 260 R C 0.510 176.860 176.300 0.083 0.000 0.943 260 R CA -0.247 55.785 56.100 -0.114 0.000 1.038 260 R CB 0.034 30.122 30.300 -0.353 0.000 0.957 260 R HN 0.288 nan 8.270 nan 0.000 0.484 261 I N 3.923 124.634 120.570 0.235 0.000 2.664 261 I HA -0.068 4.102 4.170 -0.000 0.000 0.284 261 I C 0.667 176.985 176.117 0.335 0.000 1.154 261 I CA -0.024 61.461 61.300 0.309 0.000 1.402 261 I CB 0.192 38.461 38.000 0.448 0.000 1.395 261 I HN 0.213 nan 8.210 nan 0.000 0.545 262 R N 5.948 126.530 120.500 0.136 0.000 2.698 262 R HA 0.417 4.757 4.340 -0.000 0.000 0.266 262 R C 0.050 176.484 176.300 0.224 0.000 1.026 262 R CA -0.572 55.575 56.100 0.079 0.000 1.102 262 R CB 0.240 30.446 30.300 -0.156 0.000 0.978 262 R HN 0.604 nan 8.270 nan 0.000 0.436 263 A N 3.399 126.303 122.820 0.139 0.000 2.346 263 A HA 0.219 4.539 4.320 -0.000 0.000 0.252 263 A C 0.079 177.736 177.584 0.121 0.000 1.089 263 A CA -0.733 51.409 52.037 0.175 0.000 0.797 263 A CB 0.250 19.280 19.000 0.049 0.000 1.047 263 A HN 0.785 nan 8.150 nan 0.000 0.494 264 L N 1.274 122.558 121.223 0.101 0.000 2.513 264 L HA 0.471 4.811 4.340 -0.000 0.000 0.272 264 L C 1.101 178.006 176.870 0.058 0.000 1.187 264 L CA 1.906 56.789 54.840 0.073 0.000 0.895 264 L CB 0.180 42.257 42.059 0.030 0.000 1.147 264 L HN 1.571 nan 8.230 nan 0.000 0.483 265 G N 2.118 110.965 108.800 0.078 0.000 2.307 265 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.210 265 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.210 265 G C 0.482 175.392 174.900 0.017 0.000 1.005 265 G CA 0.052 45.201 45.100 0.082 0.000 0.634 265 G HN 0.838 nan 8.290 nan 0.000 0.496 266 S N 3.488 119.167 115.700 -0.035 0.000 2.566 266 S HA 0.437 4.907 4.470 -0.000 0.000 0.280 266 S C -1.817 172.631 174.600 -0.254 0.000 1.343 266 S CA -0.027 58.115 58.200 -0.097 0.000 1.036 266 S CB 0.939 64.093 63.200 -0.077 0.000 0.866 266 S HN 0.432 nan 8.310 nan 0.000 0.526 267 P HA 0.106 nan 4.420 nan 0.000 0.268 267 P C -0.011 177.141 177.300 -0.248 0.000 1.205 267 P CA -0.304 62.661 63.100 -0.224 0.000 0.771 267 P CB 0.176 31.828 31.700 -0.081 0.000 0.858 268 I N 2.566 123.006 120.570 -0.217 0.000 2.752 268 I HA -0.052 4.117 4.170 -0.000 0.000 0.286 268 I C 0.800 176.931 176.117 0.022 0.000 1.180 268 I CA -0.225 61.071 61.300 -0.006 0.000 1.404 268 I CB 0.098 38.201 38.000 0.173 0.000 1.389 268 I HN 0.185 nan 8.210 nan 0.000 0.549 269 R N 7.065 127.583 120.500 0.030 0.000 3.247 269 R HA 0.235 4.575 4.340 -0.000 0.000 0.212 269 R C 0.599 176.926 176.300 0.044 0.000 1.604 269 R CA 0.576 56.678 56.100 0.004 0.000 1.279 269 R CB -0.656 29.613 30.300 -0.050 0.000 1.277 269 R HN 0.892 nan 8.270 nan 0.000 0.669 270 G N 1.804 110.630 108.800 0.043 0.000 2.247 270 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.265 270 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.265 270 G C 0.832 175.770 174.900 0.064 0.000 0.861 270 G CA 0.601 45.730 45.100 0.048 0.000 1.289 270 G HN 1.104 nan 8.290 nan 0.000 0.403 271 G N 0.207 109.056 108.800 0.082 0.000 2.424 271 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.207 271 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.207 271 G C 0.255 175.223 174.900 0.114 0.000 1.061 271 G CA 0.374 45.524 45.100 0.083 0.000 0.657 271 G HN 0.948 nan 8.290 nan 0.000 0.508 272 E N 1.702 122.000 120.200 0.163 0.000 2.129 272 E HA 0.557 4.907 4.350 -0.000 0.000 0.283 272 E C 0.393 177.179 176.600 0.311 0.000 1.080 272 E CA 0.330 56.883 56.400 0.255 0.000 0.867 272 E CB 1.184 31.149 29.700 0.443 0.000 1.056 272 E HN 0.662 nan 8.360 nan 0.000 0.404 273 A N 4.510 127.444 122.820 0.190 0.000 2.923 273 A HA 0.211 4.530 4.320 -0.000 0.000 0.306 273 A C -0.396 177.300 177.584 0.186 0.000 1.542 273 A CA -0.357 51.809 52.037 0.214 0.000 1.225 273 A CB -0.447 18.641 19.000 0.147 0.000 1.147 273 A HN 0.583 nan 8.150 nan 0.000 0.542 274 F N 0.444 120.460 119.950 0.108 0.000 2.645 274 F HA 0.135 4.662 4.527 -0.000 0.000 0.300 274 F C 1.830 177.653 175.800 0.039 0.000 1.115 274 F CA -0.304 57.776 58.000 0.133 0.000 1.355 274 F CB -0.329 38.738 39.000 0.113 0.000 1.026 274 F HN 0.650 nan 8.300 nan 0.000 0.536 275 H N 0.027 119.212 119.070 0.192 0.000 2.357 275 H HA -0.176 4.380 4.556 -0.000 0.000 0.296 275 H C 2.348 177.707 175.328 0.051 0.000 1.108 275 H CA 2.300 58.406 56.048 0.095 0.000 1.273 275 H CB -0.536 29.257 29.762 0.052 0.000 1.367 275 H HN 0.298 nan 8.280 nan 0.000 0.498 276 T N -1.859 112.772 114.554 0.128 0.000 3.007 276 T HA 0.193 4.543 4.350 -0.000 0.000 0.270 276 T C 1.255 175.932 174.700 -0.037 0.000 1.107 276 T CA 0.808 62.903 62.100 -0.008 0.000 1.118 276 T CB -0.178 68.614 68.868 -0.127 0.000 0.889 276 T HN 0.700 nan 8.240 nan 0.000 0.506 277 G N -0.190 108.647 108.800 0.062 0.000 2.693 277 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.226 277 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.226 277 G C 0.861 175.799 174.900 0.062 0.000 1.354 277 G CA -0.446 44.711 45.100 0.095 0.000 0.873 277 G HN 0.416 nan 8.290 nan 0.000 0.562 278 C N 0.290 119.595 119.300 0.008 0.000 2.446 278 C HA 0.028 4.488 4.460 -0.000 0.000 0.277 278 C C 3.045 177.829 174.990 -0.344 0.000 1.275 278 C CA 1.297 60.255 59.018 -0.099 0.000 1.727 278 C CB -1.516 25.979 27.740 -0.410 0.000 2.010 278 C HN 0.529 nan 8.230 nan 0.000 0.486 279 I N 1.973 122.292 120.570 -0.418 0.000 2.118 279 I HA -0.154 4.016 4.170 -0.000 0.000 0.241 279 I C -0.322 175.689 176.117 -0.175 0.000 1.070 279 I CA 2.006 63.100 61.300 -0.343 0.000 1.327 279 I CB -2.856 34.991 38.000 -0.255 0.000 1.034 279 I HN 0.189 nan 8.210 nan 0.000 0.405 280 P HA -0.171 nan 4.420 nan 0.000 0.216 280 P C 1.841 178.934 177.300 -0.345 0.000 1.150 280 P CA 1.676 64.569 63.100 -0.345 0.000 0.843 280 P CB -0.157 31.223 31.700 -0.533 0.000 0.787 281 F N -2.660 117.231 119.950 -0.098 0.000 2.128 281 F HA -0.125 4.402 4.527 0.001 0.000 0.295 281 F C 2.383 178.083 175.800 -0.167 0.000 1.100 281 F CA 0.949 58.825 58.000 -0.207 0.000 1.260 281 F CB -1.775 37.088 39.000 -0.228 0.000 1.009 281 F HN -0.118 nan 8.300 nan 0.000 0.476 282 Y N 0.739 121.077 120.300 0.064 0.000 2.114 282 Y HA -0.276 4.273 4.550 -0.001 0.000 0.282 282 Y C 2.426 178.433 175.900 0.179 0.000 1.165 282 Y CA 1.142 59.378 58.100 0.227 0.000 1.148 282 Y CB -1.312 37.297 38.460 0.249 0.000 0.972 282 Y HN 0.009 nan 8.280 nan 0.000 0.504 283 K N -1.066 119.492 120.400 0.264 0.000 2.074 283 K HA -0.258 4.062 4.320 -0.000 0.000 0.209 283 K C 2.064 178.771 176.600 0.177 0.000 1.048 283 K CA 1.820 58.214 56.287 0.178 0.000 0.926 283 K CB -0.364 32.188 32.500 0.086 0.000 0.713 283 K HN 0.331 nan 8.250 nan 0.000 0.444 284 H N -0.838 118.245 119.070 0.022 0.000 2.389 284 H HA -0.076 4.479 4.556 -0.001 0.000 0.299 284 H C 1.446 176.838 175.328 0.107 0.000 1.081 284 H CA 1.723 57.774 56.048 0.006 0.000 1.345 284 H CB -0.066 29.655 29.762 -0.068 0.000 1.393 284 H HN 0.096 nan 8.280 nan 0.000 0.520 285 F N 0.746 120.758 119.950 0.105 0.000 2.146 285 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 285 F C 2.819 178.624 175.800 0.008 0.000 1.096 285 F CA 1.398 59.408 58.000 0.016 0.000 1.275 285 F CB -1.018 38.022 39.000 0.066 0.000 1.008 285 F HN 0.302 nan 8.300 nan 0.000 0.480 286 Q N 0.234 120.185 119.800 0.251 0.000 2.030 286 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 286 Q C 2.264 178.334 176.000 0.116 0.000 0.986 286 Q CA 2.854 58.760 55.803 0.171 0.000 0.843 286 Q CB -0.246 28.606 28.738 0.191 0.000 0.904 286 Q HN 0.532 nan 8.270 nan 0.000 0.420 287 T N -1.737 112.871 114.554 0.091 0.000 2.833 287 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 287 T C 1.821 176.531 174.700 0.017 0.000 1.054 287 T CA 1.164 63.297 62.100 0.055 0.000 1.135 287 T CB -0.433 68.472 68.868 0.060 0.000 0.869 287 T HN 0.357 nan 8.240 nan 0.000 0.466 288 A N 1.244 124.052 122.820 -0.020 0.000 1.877 288 A HA 0.073 4.393 4.320 -0.000 0.000 0.216 288 A C 2.664 180.268 177.584 0.033 0.000 1.186 288 A CA 1.582 53.610 52.037 -0.015 0.000 0.620 288 A CB -1.154 17.845 19.000 -0.003 0.000 0.822 288 A HN 0.403 nan 8.150 nan 0.000 0.443 289 V N -0.233 119.714 119.914 0.056 0.000 2.332 289 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 289 V C 2.223 178.344 176.094 0.045 0.000 1.055 289 V CA 2.418 64.749 62.300 0.053 0.000 1.038 289 V CB -0.529 31.329 31.823 0.058 0.000 0.651 289 V HN 0.487 nan 8.190 nan 0.000 0.450 290 K N 0.410 120.836 120.400 0.044 0.000 2.458 290 K HA 0.055 4.375 4.320 -0.000 0.000 0.194 290 K C 1.984 178.600 176.600 0.026 0.000 1.024 290 K CA 0.601 56.907 56.287 0.031 0.000 1.108 290 K CB -0.120 32.400 32.500 0.032 0.000 0.846 290 K HN 0.653 nan 8.250 nan 0.000 0.518 291 S N -0.885 114.831 115.700 0.027 0.000 2.383 291 S HA -0.183 4.287 4.470 -0.000 0.000 0.229 291 S C 1.251 175.862 174.600 0.019 0.000 1.030 291 S CA 0.892 59.106 58.200 0.023 0.000 1.002 291 S CB -0.418 62.794 63.200 0.021 0.000 0.829 291 S HN 0.281 nan 8.310 nan 0.000 0.467 292 C N 3.302 122.613 119.300 0.019 0.000 2.508 292 C HA 0.720 5.180 4.460 -0.000 0.000 0.330 292 C C 0.467 175.465 174.990 0.014 0.000 1.435 292 C CA -0.883 58.144 59.018 0.015 0.000 1.712 292 C CB -1.619 26.130 27.740 0.014 0.000 2.741 292 C HN 0.607 nan 8.230 nan 0.000 0.562 293 S N -0.766 114.941 115.700 0.011 0.000 2.575 293 S HA 0.491 4.961 4.470 -0.000 0.000 0.278 293 S C 0.113 174.714 174.600 0.001 0.000 1.139 293 S CA -0.478 57.726 58.200 0.007 0.000 0.954 293 S CB 1.522 64.726 63.200 0.006 0.000 1.054 293 S HN 0.278 nan 8.310 nan 0.000 0.483 294 Q N 2.511 122.312 119.800 0.001 0.000 2.564 294 Q HA -0.289 4.051 4.340 -0.000 0.000 0.234 294 Q C 1.849 177.848 176.000 -0.002 0.000 1.112 294 Q CA 3.065 58.868 55.803 -0.000 0.000 1.012 294 Q CB -1.404 27.332 28.738 -0.002 0.000 0.979 294 Q HN 1.061 nan 8.270 nan 0.000 0.557 295 G N -4.024 104.771 108.800 -0.008 0.000 2.724 295 G HA2 0.414 4.374 3.960 -0.000 0.000 0.205 295 G HA3 0.414 4.374 3.960 -0.000 0.000 0.205 295 G C 0.750 175.647 174.900 -0.003 0.000 1.112 295 G CA 0.589 45.686 45.100 -0.006 0.000 0.793 295 G HN 0.903 nan 8.290 nan 0.000 0.526 296 G N -1.037 107.756 108.800 -0.011 0.000 2.507 296 G HA2 0.031 3.991 3.960 -0.000 0.000 0.205 296 G HA3 0.031 3.991 3.960 -0.000 0.000 0.205 296 G C 0.640 175.522 174.900 -0.029 0.000 0.996 296 G CA 0.645 45.743 45.100 -0.003 0.000 0.776 296 G HN 1.215 nan 8.290 nan 0.000 0.532 297 V N -3.673 116.200 119.914 -0.068 0.000 3.221 297 V HA 0.513 4.633 4.120 -0.000 0.000 0.254 297 V C 0.753 176.763 176.094 -0.139 0.000 1.586 297 V CA 0.507 62.707 62.300 -0.167 0.000 1.074 297 V CB 0.207 31.875 31.823 -0.258 0.000 0.912 297 V HN 0.182 nan 8.190 nan 0.000 0.426 298 R N 1.926 122.382 120.500 -0.073 0.000 2.235 298 R HA 0.557 4.897 4.340 -0.000 0.000 0.338 298 R C 0.319 176.609 176.300 -0.017 0.000 1.087 298 R CA 1.050 57.124 56.100 -0.043 0.000 0.948 298 R CB 0.162 30.446 30.300 -0.026 0.000 1.099 298 R HN 0.955 nan 8.270 nan 0.000 0.483 299 G N 1.528 110.324 108.800 -0.007 0.000 2.619 299 G HA2 0.214 4.173 3.960 -0.000 0.000 0.686 299 G HA3 0.214 4.173 3.960 -0.000 0.000 0.686 299 G C -0.160 174.750 174.900 0.017 0.000 1.256 299 G CA -0.456 44.652 45.100 0.013 0.000 0.826 299 G HN 1.017 nan 8.290 nan 0.000 0.619 300 G N -1.280 107.538 108.800 0.030 0.000 3.129 300 G HA2 0.537 4.497 3.960 -0.000 0.000 0.385 300 G HA3 0.537 4.497 3.960 -0.000 0.000 0.385 300 G C 0.234 175.157 174.900 0.039 0.000 1.046 300 G CA 0.904 46.024 45.100 0.034 0.000 0.933 300 G HN 2.640 nan 8.290 nan 0.000 0.424 301 A N 1.308 124.154 122.820 0.044 0.000 2.350 301 A HA 1.182 5.502 4.320 -0.000 0.000 0.324 301 A C 0.371 177.975 177.584 0.033 0.000 1.118 301 A CA 0.313 52.380 52.037 0.050 0.000 0.783 301 A CB 1.923 20.966 19.000 0.071 0.000 1.236 301 A HN 2.620 nan 8.150 nan 0.000 0.457 302 A N 0.729 123.558 122.820 0.014 0.000 2.606 302 A HA 0.856 5.176 4.320 -0.000 0.000 0.293 302 A C -0.579 176.961 177.584 -0.073 0.000 1.082 302 A CA -0.473 51.553 52.037 -0.019 0.000 0.685 302 A CB 1.359 20.338 19.000 -0.035 0.000 1.284 302 A HN 0.914 nan 8.150 nan 0.000 0.408 303 T N 1.436 115.939 114.554 -0.086 0.000 2.841 303 T HA 0.555 4.905 4.350 -0.000 0.000 0.285 303 T C -0.938 173.586 174.700 -0.293 0.000 0.991 303 T CA -0.163 61.798 62.100 -0.232 0.000 0.966 303 T CB 1.007 69.778 68.868 -0.162 0.000 0.962 303 T HN 0.601 nan 8.240 nan 0.000 0.438 304 L N 3.898 124.857 121.223 -0.441 0.000 2.307 304 L HA 0.697 5.037 4.340 -0.000 0.000 0.284 304 L C -1.435 175.271 176.870 -0.273 0.000 1.023 304 L CA -0.754 53.950 54.840 -0.226 0.000 0.810 304 L CB 0.551 42.503 42.059 -0.178 0.000 1.231 304 L HN 0.540 nan 8.230 nan 0.000 0.423 305 F N 4.627 124.591 119.950 0.023 0.000 2.443 305 F HA 0.558 5.085 4.527 0.001 0.000 0.335 305 F C -0.466 175.402 175.800 0.112 0.000 1.104 305 F CA -0.442 57.557 58.000 -0.002 0.000 1.013 305 F CB 1.353 40.379 39.000 0.043 0.000 1.136 305 F HN 0.329 nan 8.300 nan 0.000 0.470 306 Y N 0.992 121.482 120.300 0.315 0.000 2.571 306 Y HA 0.698 5.248 4.550 -0.001 0.000 0.341 306 Y C -3.323 172.656 175.900 0.132 0.000 1.076 306 Y CA -3.963 54.274 58.100 0.228 0.000 1.029 306 Y CB 0.697 39.235 38.460 0.130 0.000 1.308 306 Y HN 0.239 nan 8.280 nan 0.000 0.461 307 P HA 0.040 nan 4.420 nan 0.000 0.269 307 P C 0.589 177.804 177.300 -0.142 0.000 1.209 307 P CA -0.182 62.803 63.100 -0.191 0.000 0.776 307 P CB 1.232 32.226 31.700 -1.177 0.000 0.876 308 M N 3.236 122.756 119.600 -0.134 0.000 2.213 308 M HA -0.071 4.409 4.480 -0.000 0.000 0.263 308 M C 1.279 177.595 176.300 0.026 0.000 1.062 308 M CA 1.707 56.997 55.300 -0.018 0.000 1.105 308 M CB -0.319 32.245 32.600 -0.059 0.000 1.385 308 M HN 0.473 nan 8.290 nan 0.000 0.417 309 W N -0.517 120.817 121.300 0.056 0.000 3.180 309 W HA 0.096 4.756 4.660 0.000 0.000 0.254 309 W C 0.280 176.882 176.519 0.138 0.000 1.318 309 W CA -0.473 56.930 57.345 0.096 0.000 1.608 309 W CB -1.468 28.083 29.460 0.151 0.000 1.124 309 W HN 0.128 nan 8.180 nan 0.000 0.694 310 H N 2.438 121.439 119.070 -0.114 0.000 3.038 310 H HA -0.125 4.431 4.556 -0.000 0.000 0.338 310 H C 1.120 176.498 175.328 0.083 0.000 1.041 310 H CA 0.845 56.883 56.048 -0.017 0.000 1.394 310 H CB 1.479 31.167 29.762 -0.124 0.000 1.357 310 H HN 0.059 nan 8.280 nan 0.000 0.600 311 L N 4.539 125.696 121.223 -0.109 0.000 2.081 311 L HA -0.190 4.149 4.340 -0.000 0.000 0.212 311 L C 1.522 178.458 176.870 0.110 0.000 1.080 311 L CA 1.926 56.767 54.840 0.002 0.000 0.754 311 L CB -0.346 41.671 42.059 -0.070 0.000 0.893 311 L HN 0.729 nan 8.230 nan 0.000 0.433 312 E N -1.581 118.812 120.200 0.322 0.000 2.394 312 E HA -0.007 4.343 4.350 -0.000 0.000 0.191 312 E C 1.910 178.457 176.600 -0.089 0.000 1.044 312 E CA 0.035 56.472 56.400 0.063 0.000 0.939 312 E CB 0.102 29.788 29.700 -0.024 0.000 1.089 312 E HN 0.302 nan 8.360 nan 0.000 0.456 313 V N 1.631 121.519 119.914 -0.043 0.000 2.380 313 V HA -0.331 3.789 4.120 -0.000 0.000 0.251 313 V C 1.840 177.859 176.094 -0.125 0.000 1.063 313 V CA 2.129 64.349 62.300 -0.134 0.000 1.055 313 V CB -0.087 31.735 31.823 -0.001 0.000 0.657 313 V HN 0.332 nan 8.190 nan 0.000 0.455 314 E N -0.578 119.574 120.200 -0.079 0.000 2.204 314 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 314 E C 2.305 178.845 176.600 -0.101 0.000 0.989 314 E CA 1.309 57.667 56.400 -0.071 0.000 0.824 314 E CB -0.125 29.546 29.700 -0.047 0.000 0.756 314 E HN 0.606 nan 8.360 nan 0.000 0.477 315 S N 0.886 116.504 115.700 -0.136 0.000 2.406 315 S HA 0.020 4.490 4.470 -0.000 0.000 0.224 315 S C 2.035 176.497 174.600 -0.229 0.000 1.030 315 S CA 0.356 58.461 58.200 -0.159 0.000 0.958 315 S CB 0.019 63.120 63.200 -0.164 0.000 0.811 315 S HN 0.163 nan 8.310 nan 0.000 0.489 316 L N 0.964 121.990 121.223 -0.328 0.000 1.994 316 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 316 L C 2.057 178.743 176.870 -0.308 0.000 1.071 316 L CA 0.801 55.358 54.840 -0.472 0.000 0.745 316 L CB -0.656 40.855 42.059 -0.913 0.000 0.892 316 L HN 0.279 nan 8.230 nan 0.000 0.431 317 L N 0.066 121.200 121.223 -0.148 0.000 2.263 317 L HA -0.138 4.202 4.340 -0.000 0.000 0.216 317 L C 1.942 178.776 176.870 -0.061 0.000 1.111 317 L CA 1.489 56.313 54.840 -0.027 0.000 0.773 317 L CB -0.797 41.259 42.059 -0.004 0.000 0.906 317 L HN 0.278 nan 8.230 nan 0.000 0.439 318 V N -5.244 114.612 119.914 -0.096 0.000 3.121 318 V HA 0.175 4.295 4.120 -0.000 0.000 0.344 318 V C 1.679 177.724 176.094 -0.081 0.000 1.390 318 V CA -0.018 62.241 62.300 -0.068 0.000 1.177 318 V CB -0.331 31.459 31.823 -0.056 0.000 1.163 318 V HN 0.192 nan 8.190 nan 0.000 0.484 319 L N 0.491 121.632 121.223 -0.138 0.000 2.131 319 L HA -0.013 4.327 4.340 -0.000 0.000 0.210 319 L C 2.453 179.326 176.870 0.005 0.000 1.092 319 L CA 1.613 56.388 54.840 -0.107 0.000 0.759 319 L CB -0.295 41.620 42.059 -0.240 0.000 0.903 319 L HN 0.446 nan 8.230 nan 0.000 0.435 320 K N -0.571 119.859 120.400 0.050 0.000 2.404 320 K HA 0.045 4.365 4.320 -0.000 0.000 0.194 320 K C 0.378 176.983 176.600 0.010 0.000 1.023 320 K CA -0.163 56.157 56.287 0.056 0.000 1.094 320 K CB -0.419 32.137 32.500 0.094 0.000 0.841 320 K HN 0.087 nan 8.250 nan 0.000 0.523 321 N N 3.600 122.297 118.700 -0.004 0.000 2.427 321 N HA -0.073 4.667 4.740 -0.000 0.000 0.269 321 N C 0.895 176.396 175.510 -0.016 0.000 1.235 321 N CA -0.072 52.972 53.050 -0.009 0.000 0.934 321 N CB 0.498 38.976 38.487 -0.015 0.000 1.121 321 N HN 0.148 nan 8.380 nan 0.000 0.480 322 N N 3.973 122.665 118.700 -0.012 0.000 2.149 322 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 322 N C 0.209 175.712 175.510 -0.012 0.000 1.019 322 N CA 1.110 54.152 53.050 -0.014 0.000 0.857 322 N CB -0.250 38.234 38.487 -0.005 0.000 0.997 322 N HN 0.486 nan 8.380 nan 0.000 0.426 323 R N 1.095 121.588 120.500 -0.011 0.000 2.351 323 R HA 0.357 4.697 4.340 -0.000 0.000 0.321 323 R C -0.322 175.968 176.300 -0.016 0.000 1.182 323 R CA 0.343 56.436 56.100 -0.011 0.000 1.011 323 R CB -0.513 29.782 30.300 -0.010 0.000 1.048 323 R HN 0.485 nan 8.270 nan 0.000 0.490 324 G N 0.883 109.673 108.800 -0.018 0.000 2.356 324 G HA2 0.066 4.025 3.960 -0.000 0.000 0.294 324 G HA3 0.066 4.025 3.960 -0.000 0.000 0.294 324 G C -1.493 173.394 174.900 -0.022 0.000 1.423 324 G CA -0.752 44.335 45.100 -0.023 0.000 0.806 324 G HN 0.328 nan 8.290 nan 0.000 0.527 325 V N 0.968 120.866 119.914 -0.026 0.000 2.529 325 V HA 0.239 4.359 4.120 -0.000 0.000 0.292 325 V C 1.590 177.668 176.094 -0.026 0.000 1.028 325 V CA 0.474 62.759 62.300 -0.025 0.000 1.074 325 V CB 1.205 33.011 31.823 -0.029 0.000 0.958 325 V HN 0.805 nan 8.190 nan 0.000 0.481 326 E N 4.729 124.917 120.200 -0.020 0.000 2.114 326 E HA -0.192 4.157 4.350 -0.000 0.000 0.199 326 E C 1.974 178.561 176.600 -0.021 0.000 1.008 326 E CA 1.824 58.214 56.400 -0.016 0.000 0.810 326 E CB -0.554 29.141 29.700 -0.007 0.000 0.739 326 E HN 0.990 nan 8.360 nan 0.000 0.456 327 G N 0.383 109.167 108.800 -0.028 0.000 2.448 327 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 327 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 327 G C 1.102 175.972 174.900 -0.051 0.000 1.127 327 G CA 0.511 45.588 45.100 -0.039 0.000 0.766 327 G HN 0.284 nan 8.290 nan 0.000 0.552 328 N N 0.168 118.837 118.700 -0.051 0.000 2.453 328 N HA 0.236 4.976 4.740 -0.000 0.000 0.270 328 N C -0.568 174.905 175.510 -0.062 0.000 1.195 328 N CA -0.300 52.709 53.050 -0.067 0.000 0.902 328 N CB 0.514 38.960 38.487 -0.069 0.000 1.186 328 N HN -0.064 nan 8.380 nan 0.000 0.510 329 R N 0.647 121.122 120.500 -0.041 0.000 2.564 329 R HA 0.364 4.704 4.340 -0.000 0.000 0.284 329 R C -1.321 174.983 176.300 0.008 0.000 1.031 329 R CA -0.612 55.471 56.100 -0.027 0.000 0.904 329 R CB 1.832 32.113 30.300 -0.032 0.000 1.199 329 R HN -0.173 nan 8.270 nan 0.000 0.443 330 V N 4.761 124.708 119.914 0.056 0.000 2.315 330 V HA 0.306 4.426 4.120 -0.000 0.000 0.265 330 V C 1.082 177.253 176.094 0.129 0.000 1.019 330 V CA -0.492 61.890 62.300 0.136 0.000 0.824 330 V CB 0.945 32.941 31.823 0.288 0.000 1.072 330 V HN 0.622 nan 8.190 nan 0.000 0.448 331 R N 0.336 120.798 120.500 -0.064 0.000 2.240 331 R HA 0.121 4.461 4.340 -0.000 0.000 0.203 331 R C 0.610 176.787 176.300 -0.205 0.000 1.011 331 R CA 0.535 56.541 56.100 -0.157 0.000 1.007 331 R CB 0.135 30.256 30.300 -0.298 0.000 0.911 331 R HN 0.631 nan 8.270 nan 0.000 0.468 332 H N 0.207 119.334 119.070 0.094 0.000 2.591 332 H HA 0.369 4.924 4.556 -0.001 0.000 0.302 332 H C -0.170 175.169 175.328 0.020 0.000 1.163 332 H CA 0.184 56.266 56.048 0.056 0.000 1.049 332 H CB -0.007 29.788 29.762 0.055 0.000 1.543 332 H HN 0.053 nan 8.280 nan 0.000 0.523 333 M N 0.750 120.369 119.600 0.032 0.000 2.365 333 M HA 0.176 4.656 4.480 -0.000 0.000 0.287 333 M C -1.153 174.879 176.300 -0.447 0.000 1.154 333 M CA -0.749 54.450 55.300 -0.167 0.000 0.941 333 M CB 3.030 35.500 32.600 -0.216 0.000 1.704 333 M HN -0.030 nan 8.290 nan 0.000 0.479 334 D N 1.378 121.517 120.400 -0.435 0.000 2.283 334 D HA 0.469 5.109 4.640 -0.000 0.000 0.248 334 D C -1.223 174.536 176.300 -0.901 0.000 1.072 334 D CA 0.335 54.024 54.000 -0.518 0.000 0.929 334 D CB 0.934 41.589 40.800 -0.242 0.000 1.182 334 D HN 0.271 nan 8.370 nan 0.000 0.433 335 Y N -0.773 119.335 120.300 -0.319 0.000 2.487 335 Y HA 0.553 5.103 4.550 -0.001 0.000 0.337 335 Y C 1.004 176.609 175.900 -0.491 0.000 1.076 335 Y CA -1.006 56.895 58.100 -0.332 0.000 1.115 335 Y CB 2.057 40.460 38.460 -0.095 0.000 1.235 335 Y HN 0.342 nan 8.280 nan 0.000 0.468 336 G N 1.249 109.738 108.800 -0.518 0.000 2.814 336 G HA2 0.499 4.458 3.960 -0.000 0.000 0.300 336 G HA3 0.499 4.458 3.960 -0.000 0.000 0.300 336 G C -1.539 173.170 174.900 -0.319 0.000 1.406 336 G CA -0.552 44.287 45.100 -0.435 0.000 1.041 336 G HN 0.454 nan 8.290 nan 0.000 0.532 337 V N 2.813 122.600 119.914 -0.211 0.000 2.455 337 V HA 0.162 4.282 4.120 -0.000 0.000 0.273 337 V C 0.349 176.436 176.094 -0.011 0.000 1.045 337 V CA -0.194 61.970 62.300 -0.226 0.000 0.976 337 V CB 0.948 32.711 31.823 -0.101 0.000 0.993 337 V HN 0.712 nan 8.190 nan 0.000 0.475 338 Q N 4.935 124.754 119.800 0.032 0.000 2.296 338 Q HA 0.631 4.971 4.340 -0.000 0.000 0.257 338 Q C -0.826 175.236 176.000 0.105 0.000 0.942 338 Q CA -0.062 55.807 55.803 0.110 0.000 0.939 338 Q CB 1.608 30.470 28.738 0.206 0.000 1.198 338 Q HN 0.650 nan 8.270 nan 0.000 0.429 339 I N 2.274 122.848 120.570 0.007 0.000 2.785 339 I HA 0.447 4.617 4.170 -0.000 0.000 0.302 339 I C -0.346 175.671 176.117 -0.167 0.000 1.069 339 I CA -1.004 60.258 61.300 -0.063 0.000 1.045 339 I CB 1.946 39.817 38.000 -0.216 0.000 1.236 339 I HN 0.666 nan 8.210 nan 0.000 0.429 340 N N 2.739 121.325 118.700 -0.189 0.000 2.831 340 N HA 0.350 5.090 4.740 -0.000 0.000 0.276 340 N C 0.182 175.622 175.510 -0.117 0.000 1.416 340 N CA -0.846 52.082 53.050 -0.203 0.000 0.799 340 N CB 0.950 39.183 38.487 -0.423 0.000 1.554 340 N HN 0.289 nan 8.380 nan 0.000 0.541 341 K N -0.357 120.010 120.400 -0.055 0.000 2.015 341 K HA -0.141 4.179 4.320 -0.000 0.000 0.216 341 K C 1.656 178.258 176.600 0.004 0.000 1.052 341 K CA 1.389 57.659 56.287 -0.028 0.000 0.937 341 K CB -0.637 31.900 32.500 0.062 0.000 0.719 341 K HN 0.535 nan 8.250 nan 0.000 0.446 342 L N 1.376 122.607 121.223 0.014 0.000 2.043 342 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 342 L C 2.386 179.284 176.870 0.046 0.000 1.075 342 L CA 1.649 56.520 54.840 0.051 0.000 0.752 342 L CB -0.386 41.736 42.059 0.104 0.000 0.891 342 L HN 0.209 nan 8.230 nan 0.000 0.432 343 M N -1.799 117.811 119.600 0.017 0.000 2.065 343 M HA -0.268 4.212 4.480 -0.000 0.000 0.259 343 M C 2.429 178.801 176.300 0.120 0.000 1.069 343 M CA 1.924 57.265 55.300 0.068 0.000 1.110 343 M CB -1.489 31.105 32.600 -0.010 0.000 1.328 343 M HN 0.222 nan 8.290 nan 0.000 0.405 344 Y N 1.076 121.415 120.300 0.065 0.000 2.128 344 Y HA -0.194 4.356 4.550 -0.000 0.000 0.284 344 Y C 2.834 178.646 175.900 -0.147 0.000 1.154 344 Y CA 1.923 59.937 58.100 -0.144 0.000 1.149 344 Y CB -1.632 36.626 38.460 -0.337 0.000 0.976 344 Y HN 0.314 nan 8.280 nan 0.000 0.505 345 T N 0.323 114.922 114.554 0.075 0.000 2.720 345 T HA -0.192 4.157 4.350 -0.000 0.000 0.268 345 T C 2.018 176.746 174.700 0.045 0.000 1.037 345 T CA 1.376 63.500 62.100 0.041 0.000 1.144 345 T CB -0.164 68.731 68.868 0.046 0.000 0.864 345 T HN 0.210 nan 8.240 nan 0.000 0.444 346 R N 0.686 121.234 120.500 0.080 0.000 2.103 346 R HA -0.049 4.291 4.340 -0.000 0.000 0.242 346 R C 2.403 178.745 176.300 0.070 0.000 1.142 346 R CA 0.969 57.129 56.100 0.099 0.000 0.960 346 R CB -1.286 29.106 30.300 0.153 0.000 0.858 346 R HN 0.344 nan 8.270 nan 0.000 0.439 347 L N 1.267 122.504 121.223 0.024 0.000 1.989 347 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 347 L C 2.278 179.104 176.870 -0.073 0.000 1.071 347 L CA 1.668 56.450 54.840 -0.097 0.000 0.749 347 L CB -0.727 41.016 42.059 -0.527 0.000 0.890 347 L HN 0.093 nan 8.230 nan 0.000 0.431 348 L N -0.532 120.648 121.223 -0.071 0.000 2.042 348 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 348 L C 2.228 179.090 176.870 -0.013 0.000 1.076 348 L CA 1.585 56.399 54.840 -0.044 0.000 0.749 348 L CB -0.647 41.391 42.059 -0.036 0.000 0.893 348 L HN 0.284 nan 8.230 nan 0.000 0.432 349 K N 0.107 120.510 120.400 0.004 0.000 2.458 349 K HA 0.107 4.426 4.320 -0.000 0.000 0.194 349 K C 1.101 177.714 176.600 0.021 0.000 1.024 349 K CA 0.531 56.827 56.287 0.015 0.000 1.108 349 K CB 0.144 32.659 32.500 0.025 0.000 0.846 349 K HN 0.416 nan 8.250 nan 0.000 0.518 350 G N 2.349 111.161 108.800 0.021 0.000 2.233 350 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.270 350 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.270 350 G C -0.221 174.704 174.900 0.042 0.000 1.011 350 G CA 0.599 45.717 45.100 0.029 0.000 0.762 350 G HN 0.447 nan 8.290 nan 0.000 0.511 351 E N -0.265 119.967 120.200 0.052 0.000 2.330 351 E HA 0.480 4.829 4.350 -0.000 0.000 0.256 351 E C -0.345 176.302 176.600 0.078 0.000 1.146 351 E CA -0.931 55.505 56.400 0.060 0.000 0.945 351 E CB 0.610 30.349 29.700 0.065 0.000 1.182 351 E HN 0.174 nan 8.360 nan 0.000 0.480 352 D N 0.192 120.637 120.400 0.075 0.000 2.312 352 D HA 0.347 4.987 4.640 -0.000 0.000 0.248 352 D C -0.474 175.897 176.300 0.118 0.000 1.086 352 D CA -0.115 53.932 54.000 0.077 0.000 0.948 352 D CB 0.793 41.617 40.800 0.041 0.000 1.162 352 D HN 0.198 nan 8.370 nan 0.000 0.446 353 I N 0.751 121.392 120.570 0.119 0.000 2.433 353 I HA 0.176 4.346 4.170 -0.000 0.000 0.292 353 I C -0.076 176.104 176.117 0.104 0.000 1.001 353 I CA -0.495 60.910 61.300 0.176 0.000 1.119 353 I CB 1.919 40.031 38.000 0.187 0.000 1.289 353 I HN 0.044 nan 8.210 nan 0.000 0.438 354 T N 7.142 121.772 114.554 0.126 0.000 2.767 354 T HA 0.512 4.862 4.350 -0.000 0.000 0.288 354 T C -0.070 174.499 174.700 -0.218 0.000 0.963 354 T CA -0.422 61.560 62.100 -0.197 0.000 1.019 354 T CB 0.653 69.212 68.868 -0.516 0.000 0.923 354 T HN 0.257 nan 8.240 nan 0.000 0.468 355 L N 3.848 124.890 121.223 -0.300 0.000 2.325 355 L HA 0.681 5.021 4.340 -0.000 0.000 0.279 355 L C -0.799 175.847 176.870 -0.374 0.000 1.054 355 L CA -0.706 54.057 54.840 -0.128 0.000 0.804 355 L CB 0.673 42.712 42.059 -0.033 0.000 1.200 355 L HN 0.530 nan 8.230 nan 0.000 0.436 356 F N -0.141 119.909 119.950 0.167 0.000 2.613 356 F HA 0.334 4.861 4.527 0.000 0.000 0.310 356 F C 0.256 176.080 175.800 0.041 0.000 1.085 356 F CA -0.711 57.322 58.000 0.055 0.000 0.945 356 F CB 2.179 41.168 39.000 -0.019 0.000 1.298 356 F HN 0.319 nan 8.300 nan 0.000 0.455 357 S N 2.816 118.600 115.700 0.140 0.000 2.545 357 S HA 0.331 4.801 4.470 -0.000 0.000 0.275 357 S C -1.808 172.845 174.600 0.090 0.000 1.299 357 S CA -1.341 56.833 58.200 -0.044 0.000 1.048 357 S CB 1.138 64.301 63.200 -0.062 0.000 0.938 357 S HN 0.348 nan 8.310 nan 0.000 0.496 358 P HA -0.152 nan 4.420 nan 0.000 0.216 358 P C 1.737 179.069 177.300 0.055 0.000 1.150 358 P CA 1.608 64.851 63.100 0.239 0.000 0.843 358 P CB -0.226 31.617 31.700 0.240 0.000 0.787 359 S N -0.595 115.091 115.700 -0.024 0.000 2.383 359 S HA -0.194 4.276 4.470 -0.000 0.000 0.229 359 S C 1.501 176.039 174.600 -0.105 0.000 1.030 359 S CA 1.649 59.797 58.200 -0.085 0.000 1.002 359 S CB -1.260 61.865 63.200 -0.126 0.000 0.829 359 S HN 0.116 nan 8.310 nan 0.000 0.467 360 D N 1.294 121.625 120.400 -0.114 0.000 2.349 360 D HA 0.111 4.751 4.640 -0.000 0.000 0.215 360 D C 0.518 176.594 176.300 -0.374 0.000 1.016 360 D CA 0.538 54.428 54.000 -0.182 0.000 0.870 360 D CB 0.477 41.204 40.800 -0.121 0.000 0.917 360 D HN 0.561 nan 8.370 nan 0.000 0.524 361 V N -0.992 118.666 119.914 -0.427 0.000 2.320 361 V HA 0.391 4.511 4.120 -0.000 0.000 0.268 361 V C -2.867 172.989 176.094 -0.396 0.000 1.021 361 V CA -2.388 59.413 62.300 -0.832 0.000 0.813 361 V CB 0.952 32.165 31.823 -1.017 0.000 1.054 361 V HN -0.290 nan 8.190 nan 0.000 0.444 362 P HA 0.164 nan 4.420 nan 0.000 0.259 362 P C 1.350 178.722 177.300 0.120 0.000 1.163 362 P CA 2.114 65.200 63.100 -0.024 0.000 0.760 362 P CB 0.581 32.284 31.700 0.005 0.000 0.762 363 G N 2.727 111.606 108.800 0.131 0.000 2.245 363 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.264 363 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.264 363 G C 0.912 175.946 174.900 0.225 0.000 0.985 363 G CA 0.269 45.472 45.100 0.171 0.000 0.625 363 G HN 0.536 nan 8.290 nan 0.000 0.536 364 L N -0.762 120.591 121.223 0.215 0.000 1.994 364 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 364 L C 2.427 179.567 176.870 0.450 0.000 1.071 364 L CA 2.877 57.823 54.840 0.176 0.000 0.745 364 L CB -0.592 41.412 42.059 -0.091 0.000 0.892 364 L HN 0.475 nan 8.230 nan 0.000 0.431 365 Y N 1.139 121.711 120.300 0.452 0.000 2.097 365 Y HA -0.341 4.209 4.550 -0.001 0.000 0.282 365 Y C 2.430 178.752 175.900 0.703 0.000 1.152 365 Y CA 2.180 60.701 58.100 0.701 0.000 1.136 365 Y CB -0.226 38.588 38.460 0.591 0.000 0.975 365 Y HN 0.324 nan 8.280 nan 0.000 0.498 366 D N 0.038 120.826 120.400 0.648 0.000 2.104 366 D HA -0.228 4.412 4.640 -0.000 0.000 0.194 366 D C 2.305 178.861 176.300 0.427 0.000 0.994 366 D CA 1.611 55.905 54.000 0.490 0.000 0.830 366 D CB -0.768 40.229 40.800 0.329 0.000 0.959 366 D HN 0.489 nan 8.370 nan 0.000 0.452 367 A N 0.743 123.797 122.820 0.389 0.000 1.908 367 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 367 A C 2.098 179.905 177.584 0.372 0.000 1.181 367 A CA 1.139 53.385 52.037 0.347 0.000 0.627 367 A CB -1.086 18.109 19.000 0.325 0.000 0.818 367 A HN 0.209 nan 8.150 nan 0.000 0.445 368 F N -0.049 120.041 119.950 0.234 0.000 2.111 368 F HA -0.247 4.280 4.527 -0.000 0.000 0.300 368 F C 1.725 177.227 175.800 -0.497 0.000 1.088 368 F CA 1.774 59.583 58.000 -0.317 0.000 1.243 368 F CB -0.556 38.248 39.000 -0.327 0.000 0.996 368 F HN 0.259 nan 8.300 nan 0.000 0.483 369 F N -1.002 118.887 119.950 -0.101 0.000 2.317 369 F HA 0.241 4.767 4.527 -0.001 0.000 0.290 369 F C 2.409 178.160 175.800 -0.081 0.000 1.075 369 F CA 0.827 58.709 58.000 -0.198 0.000 1.380 369 F CB -1.300 37.611 39.000 -0.148 0.000 1.093 369 F HN -0.065 nan 8.300 nan 0.000 0.524 370 A N -1.589 121.351 122.820 0.200 0.000 1.984 370 A HA 0.026 4.346 4.320 -0.000 0.000 0.214 370 A C 0.103 177.744 177.584 0.095 0.000 1.173 370 A CA 1.129 53.245 52.037 0.130 0.000 0.673 370 A CB -0.132 18.948 19.000 0.134 0.000 0.830 370 A HN 0.223 nan 8.150 nan 0.000 0.453 371 D N -1.480 118.986 120.400 0.109 0.000 2.602 371 D HA 0.290 4.930 4.640 -0.000 0.000 0.245 371 D C 0.388 176.759 176.300 0.119 0.000 1.325 371 D CA -0.397 53.660 54.000 0.095 0.000 0.952 371 D CB 1.130 41.988 40.800 0.097 0.000 1.317 371 D HN -0.053 nan 8.370 nan 0.000 0.577 372 Q N 1.991 121.841 119.800 0.083 0.000 2.123 372 Q HA -0.079 4.261 4.340 -0.000 0.000 0.199 372 Q C 1.274 177.366 176.000 0.152 0.000 0.966 372 Q CA 1.021 56.887 55.803 0.105 0.000 0.845 372 Q CB 0.236 29.002 28.738 0.047 0.000 0.907 372 Q HN 0.635 nan 8.270 nan 0.000 0.439 373 E N 0.931 121.191 120.200 0.100 0.000 2.033 373 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 373 E C 1.932 178.578 176.600 0.076 0.000 1.011 373 E CA 1.409 57.854 56.400 0.076 0.000 0.815 373 E CB -0.105 29.624 29.700 0.048 0.000 0.755 373 E HN 0.328 nan 8.360 nan 0.000 0.451 374 E N 0.659 120.909 120.200 0.085 0.000 2.058 374 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 374 E C 1.909 178.551 176.600 0.070 0.000 0.997 374 E CA 0.987 57.425 56.400 0.062 0.000 0.801 374 E CB -0.566 29.181 29.700 0.078 0.000 0.746 374 E HN 0.230 nan 8.360 nan 0.000 0.450 375 F N 1.353 121.316 119.950 0.022 0.000 2.065 375 F HA -0.241 4.285 4.527 -0.000 0.000 0.298 375 F C 2.308 178.113 175.800 0.008 0.000 1.112 375 F CA 2.401 60.415 58.000 0.025 0.000 1.212 375 F CB -0.433 38.604 39.000 0.062 0.000 0.975 375 F HN 0.166 nan 8.300 nan 0.000 0.476 376 E N 0.093 120.377 120.200 0.141 0.000 2.058 376 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 376 E C 2.513 179.076 176.600 -0.062 0.000 0.997 376 E CA 1.669 58.100 56.400 0.052 0.000 0.801 376 E CB -0.336 29.425 29.700 0.102 0.000 0.746 376 E HN 0.415 nan 8.360 nan 0.000 0.450 377 R N 0.060 120.513 120.500 -0.078 0.000 2.082 377 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 377 R C 2.502 178.632 176.300 -0.284 0.000 1.136 377 R CA 1.825 57.842 56.100 -0.138 0.000 0.935 377 R CB -0.383 29.853 30.300 -0.107 0.000 0.842 377 R HN 0.249 nan 8.270 nan 0.000 0.430 378 L N -0.581 120.424 121.223 -0.363 0.000 2.083 378 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 378 L C 2.428 178.848 176.870 -0.751 0.000 1.083 378 L CA 1.266 55.691 54.840 -0.691 0.000 0.752 378 L CB -0.689 41.073 42.059 -0.496 0.000 0.899 378 L HN 0.258 nan 8.230 nan 0.000 0.433 379 Y N 1.427 121.310 120.300 -0.696 0.000 2.097 379 Y HA -0.324 4.226 4.550 -0.001 0.000 0.282 379 Y C 2.989 178.707 175.900 -0.303 0.000 1.152 379 Y CA 2.265 60.009 58.100 -0.593 0.000 1.136 379 Y CB -0.611 37.395 38.460 -0.757 0.000 0.975 379 Y HN 0.297 nan 8.280 nan 0.000 0.498 380 T N -1.373 113.084 114.554 -0.162 0.000 2.746 380 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 380 T C 1.924 176.509 174.700 -0.191 0.000 1.039 380 T CA 1.587 63.608 62.100 -0.133 0.000 1.142 380 T CB -0.539 68.293 68.868 -0.059 0.000 0.866 380 T HN 0.301 nan 8.240 nan 0.000 0.444 381 K N 0.341 120.567 120.400 -0.290 0.000 2.015 381 K HA -0.224 4.096 4.320 -0.000 0.000 0.216 381 K C 2.118 178.597 176.600 -0.201 0.000 1.052 381 K CA 1.868 57.972 56.287 -0.305 0.000 0.937 381 K CB -0.492 31.704 32.500 -0.508 0.000 0.719 381 K HN 0.351 nan 8.250 nan 0.000 0.446 382 Y N 1.393 121.535 120.300 -0.264 0.000 2.403 382 Y HA -0.103 4.447 4.550 -0.000 0.000 0.291 382 Y C 2.059 177.906 175.900 -0.087 0.000 1.143 382 Y CA 1.006 58.922 58.100 -0.307 0.000 1.257 382 Y CB -0.419 37.604 38.460 -0.727 0.000 0.984 382 Y HN 0.318 nan 8.280 nan 0.000 0.550 383 E N -0.047 120.178 120.200 0.041 0.000 2.072 383 E HA -0.195 4.154 4.350 -0.000 0.000 0.191 383 E C 1.934 178.544 176.600 0.016 0.000 0.985 383 E CA 1.174 57.596 56.400 0.036 0.000 0.801 383 E CB -0.005 29.627 29.700 -0.113 0.000 0.750 383 E HN 0.246 nan 8.360 nan 0.000 0.452 384 K N 0.928 121.324 120.400 -0.008 0.000 2.103 384 K HA -0.053 4.267 4.320 -0.000 0.000 0.204 384 K C 0.489 177.094 176.600 0.008 0.000 1.052 384 K CA 0.427 56.709 56.287 -0.009 0.000 0.945 384 K CB -0.003 32.481 32.500 -0.026 0.000 0.722 384 K HN -0.034 nan 8.250 nan 0.000 0.443 385 D N 1.427 121.845 120.400 0.030 0.000 2.368 385 D HA -0.065 4.575 4.640 -0.000 0.000 0.268 385 D C -0.453 175.865 176.300 0.031 0.000 1.298 385 D CA 0.230 54.251 54.000 0.035 0.000 0.938 385 D CB 0.535 41.377 40.800 0.070 0.000 1.101 385 D HN 0.173 nan 8.370 nan 0.000 0.509 386 D N 1.046 121.454 120.400 0.013 0.000 2.347 386 D HA -0.098 4.542 4.640 -0.000 0.000 0.215 386 D C 1.750 178.052 176.300 0.004 0.000 0.976 386 D CA 0.341 54.345 54.000 0.007 0.000 0.884 386 D CB 0.252 41.051 40.800 -0.001 0.000 0.915 386 D HN 0.219 nan 8.370 nan 0.000 0.526 387 S N 0.783 116.484 115.700 0.001 0.000 2.383 387 S HA -0.056 4.414 4.470 -0.000 0.000 0.227 387 S C 1.106 175.698 174.600 -0.013 0.000 1.026 387 S CA 0.372 58.566 58.200 -0.010 0.000 0.981 387 S CB -0.272 62.918 63.200 -0.017 0.000 0.818 387 S HN 0.278 nan 8.310 nan 0.000 0.472 388 I N 2.805 123.370 120.570 -0.009 0.000 2.517 388 I HA 0.108 4.278 4.170 -0.000 0.000 0.285 388 I C 0.729 176.875 176.117 0.048 0.000 1.106 388 I CA -0.315 60.981 61.300 -0.005 0.000 1.402 388 I CB 0.234 38.218 38.000 -0.028 0.000 1.399 388 I HN 0.105 nan 8.210 nan 0.000 0.535 389 R N 7.974 128.492 120.500 0.030 0.000 2.502 389 R HA 0.093 4.433 4.340 -0.000 0.000 0.292 389 R C -0.462 175.865 176.300 0.044 0.000 0.998 389 R CA 0.467 56.580 56.100 0.022 0.000 1.056 389 R CB 0.388 30.693 30.300 0.008 0.000 0.939 389 R HN 0.745 nan 8.270 nan 0.000 0.411 390 K N 2.465 122.835 120.400 -0.050 0.000 2.548 390 K HA 0.319 4.638 4.320 -0.000 0.000 0.282 390 K C -1.550 174.930 176.600 -0.201 0.000 1.006 390 K CA -1.101 55.051 56.287 -0.226 0.000 0.892 390 K CB 1.701 33.956 32.500 -0.409 0.000 1.499 390 K HN 0.500 nan 8.250 nan 0.000 0.433 391 Q N 0.775 120.416 119.800 -0.266 0.000 2.345 391 Q HA 0.361 4.701 4.340 -0.000 0.000 0.275 391 Q C -1.297 174.597 176.000 -0.177 0.000 1.063 391 Q CA -0.980 54.724 55.803 -0.164 0.000 0.819 391 Q CB 2.267 30.942 28.738 -0.105 0.000 1.356 391 Q HN 0.515 nan 8.270 nan 0.000 0.418 392 R N 1.062 121.495 120.500 -0.112 0.000 2.532 392 R HA 0.618 4.958 4.340 -0.000 0.000 0.295 392 R C -0.642 175.636 176.300 -0.037 0.000 0.968 392 R CA -0.509 55.543 56.100 -0.080 0.000 0.916 392 R CB 1.592 31.856 30.300 -0.059 0.000 1.124 392 R HN 0.498 nan 8.270 nan 0.000 0.463 393 V N -1.311 118.599 119.914 -0.008 0.000 2.888 393 V HA 0.460 4.580 4.120 -0.000 0.000 0.309 393 V C -0.143 175.975 176.094 0.040 0.000 1.114 393 V CA -1.326 60.982 62.300 0.013 0.000 0.940 393 V CB 2.238 34.071 31.823 0.016 0.000 1.021 393 V HN 0.554 nan 8.190 nan 0.000 0.426 394 K N 2.191 122.616 120.400 0.042 0.000 2.436 394 K HA 0.436 4.756 4.320 -0.000 0.000 0.282 394 K C 1.481 178.140 176.600 0.097 0.000 1.044 394 K CA 0.553 56.877 56.287 0.061 0.000 1.028 394 K CB 1.357 33.886 32.500 0.049 0.000 0.919 394 K HN 1.008 nan 8.250 nan 0.000 0.474 395 A N 3.965 126.865 122.820 0.133 0.000 1.948 395 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 395 A C 1.895 179.653 177.584 0.291 0.000 1.177 395 A CA 1.883 54.058 52.037 0.231 0.000 0.636 395 A CB -0.473 18.676 19.000 0.249 0.000 0.815 395 A HN 0.587 nan 8.150 nan 0.000 0.449 396 V N -0.082 119.939 119.914 0.178 0.000 2.332 396 V HA -0.312 3.807 4.120 -0.000 0.000 0.248 396 V C 2.306 178.493 176.094 0.155 0.000 1.055 396 V CA 2.333 64.727 62.300 0.156 0.000 1.038 396 V CB -1.138 30.735 31.823 0.083 0.000 0.651 396 V HN 0.659 nan 8.190 nan 0.000 0.450 397 E N 0.147 120.413 120.200 0.109 0.000 2.051 397 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 397 E C 2.160 178.807 176.600 0.079 0.000 0.991 397 E CA 1.474 57.921 56.400 0.077 0.000 0.799 397 E CB -0.312 29.418 29.700 0.049 0.000 0.748 397 E HN 0.412 nan 8.360 nan 0.000 0.449 398 L N 0.252 121.521 121.223 0.078 0.000 1.989 398 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 398 L C 2.061 178.912 176.870 -0.031 0.000 1.071 398 L CA 1.660 56.503 54.840 0.005 0.000 0.749 398 L CB -0.488 41.549 42.059 -0.038 0.000 0.890 398 L HN 0.037 nan 8.230 nan 0.000 0.431 399 F N -0.409 119.564 119.950 0.037 0.000 2.069 399 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 399 F C 2.641 178.467 175.800 0.043 0.000 1.113 399 F CA 1.932 59.958 58.000 0.044 0.000 1.214 399 F CB -0.854 38.177 39.000 0.052 0.000 0.978 399 F HN 0.076 nan 8.300 nan 0.000 0.474 400 S N 0.282 116.112 115.700 0.216 0.000 2.370 400 S HA -0.215 4.255 4.470 -0.000 0.000 0.226 400 S C 1.935 176.579 174.600 0.073 0.000 1.033 400 S CA 1.272 59.545 58.200 0.122 0.000 1.011 400 S CB -0.796 62.454 63.200 0.084 0.000 0.852 400 S HN 0.273 nan 8.310 nan 0.000 0.457 401 L N 1.665 122.919 121.223 0.052 0.000 2.042 401 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 401 L C 2.295 179.178 176.870 0.021 0.000 1.076 401 L CA 1.789 56.643 54.840 0.023 0.000 0.749 401 L CB -0.579 41.484 42.059 0.007 0.000 0.893 401 L HN 0.342 nan 8.230 nan 0.000 0.432 402 M N -1.828 117.781 119.600 0.016 0.000 2.086 402 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 402 M C 2.060 178.395 176.300 0.059 0.000 1.067 402 M CA 1.803 57.115 55.300 0.021 0.000 1.116 402 M CB -0.031 32.552 32.600 -0.027 0.000 1.348 402 M HN 0.288 nan 8.290 nan 0.000 0.407 403 M N -0.130 119.525 119.600 0.091 0.000 2.229 403 M HA -0.188 4.292 4.480 -0.000 0.000 0.264 403 M C 2.002 178.333 176.300 0.052 0.000 1.063 403 M CA 1.618 56.977 55.300 0.097 0.000 1.114 403 M CB -1.551 31.121 32.600 0.120 0.000 1.387 403 M HN 0.448 nan 8.290 nan 0.000 0.420 404 Q N 0.251 120.073 119.800 0.036 0.000 2.002 404 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 404 Q C 1.956 177.966 176.000 0.016 0.000 0.988 404 Q CA 1.431 57.242 55.803 0.013 0.000 0.843 404 Q CB 0.131 28.875 28.738 0.010 0.000 0.908 404 Q HN 0.368 nan 8.270 nan 0.000 0.420 405 E N 0.230 120.442 120.200 0.021 0.000 2.118 405 E HA -0.229 4.120 4.350 -0.000 0.000 0.195 405 E C 1.916 178.534 176.600 0.030 0.000 0.992 405 E CA 1.028 57.441 56.400 0.020 0.000 0.804 405 E CB -0.286 29.425 29.700 0.017 0.000 0.741 405 E HN 0.318 nan 8.360 nan 0.000 0.458 406 R N 0.703 121.230 120.500 0.045 0.000 2.083 406 R HA -0.130 4.210 4.340 -0.000 0.000 0.237 406 R C 2.242 178.589 176.300 0.078 0.000 1.137 406 R CA 1.514 57.654 56.100 0.068 0.000 0.951 406 R CB -0.194 30.171 30.300 0.108 0.000 0.851 406 R HN 0.131 nan 8.270 nan 0.000 0.434 407 A N 0.527 123.382 122.820 0.058 0.000 1.865 407 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 407 A C 2.223 179.829 177.584 0.037 0.000 1.191 407 A CA 2.120 54.183 52.037 0.043 0.000 0.623 407 A CB -0.736 18.257 19.000 -0.011 0.000 0.826 407 A HN 0.589 nan 8.150 nan 0.000 0.444 408 S N -0.340 115.373 115.700 0.021 0.000 2.368 408 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 408 S C 2.032 176.646 174.600 0.023 0.000 1.029 408 S CA 1.943 60.152 58.200 0.015 0.000 0.988 408 S CB -1.077 62.127 63.200 0.008 0.000 0.838 408 S HN 0.866 nan 8.310 nan 0.000 0.462 409 T N -2.058 112.513 114.554 0.028 0.000 3.031 409 T HA 0.432 4.782 4.350 -0.000 0.000 0.254 409 T C 1.792 176.518 174.700 0.043 0.000 1.060 409 T CA 1.125 63.243 62.100 0.030 0.000 1.135 409 T CB -0.415 68.468 68.868 0.026 0.000 0.896 409 T HN 0.967 nan 8.240 nan 0.000 0.472 410 G N 2.158 110.997 108.800 0.065 0.000 2.205 410 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.261 410 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.261 410 G C 0.809 175.818 174.900 0.181 0.000 0.980 410 G CA 0.209 45.380 45.100 0.118 0.000 0.632 410 G HN 0.607 nan 8.290 nan 0.000 0.533 411 R N -0.070 120.448 120.500 0.031 0.000 2.652 411 R HA 0.403 4.743 4.340 -0.000 0.000 0.372 411 R C 0.099 176.019 176.300 -0.634 0.000 1.104 411 R CA -0.301 55.650 56.100 -0.248 0.000 1.072 411 R CB 0.365 30.603 30.300 -0.104 0.000 1.367 411 R HN 0.363 nan 8.270 nan 0.000 0.577 412 I N 2.496 122.869 120.570 -0.329 0.000 2.337 412 I HA 0.258 4.428 4.170 -0.000 0.000 0.285 412 I C -0.287 175.748 176.117 -0.136 0.000 1.041 412 I CA -1.411 59.734 61.300 -0.259 0.000 1.199 412 I CB -0.050 37.926 38.000 -0.040 0.000 1.370 412 I HN -0.054 nan 8.210 nan 0.000 0.470 413 Y N 6.120 126.449 120.300 0.049 0.000 2.374 413 Y HA 0.537 5.087 4.550 0.000 0.000 0.322 413 Y C 0.371 176.319 175.900 0.081 0.000 1.275 413 Y CA -1.305 56.844 58.100 0.083 0.000 1.307 413 Y CB 0.736 39.252 38.460 0.093 0.000 1.282 413 Y HN 0.290 nan 8.280 nan 0.000 0.509 414 I N 1.052 121.823 120.570 0.334 0.000 2.562 414 I HA 0.354 4.524 4.170 -0.000 0.000 0.301 414 I C -0.602 175.676 176.117 0.270 0.000 1.003 414 I CA -0.763 60.693 61.300 0.259 0.000 1.127 414 I CB 1.875 40.046 38.000 0.285 0.000 1.304 414 I HN 0.560 nan 8.210 nan 0.000 0.446 415 Q N 4.898 124.840 119.800 0.236 0.000 2.275 415 Q HA 0.395 4.735 4.340 -0.000 0.000 0.266 415 Q C -1.474 174.619 176.000 0.154 0.000 1.002 415 Q CA -0.693 55.240 55.803 0.217 0.000 0.761 415 Q CB 1.152 30.038 28.738 0.246 0.000 1.255 415 Q HN 0.516 nan 8.270 nan 0.000 0.446 416 N N 4.099 122.904 118.700 0.176 0.000 2.508 416 N HA 0.040 4.779 4.740 -0.000 0.000 0.253 416 N C 1.109 176.633 175.510 0.023 0.000 1.145 416 N CA 0.136 53.275 53.050 0.149 0.000 0.973 416 N CB 1.460 40.096 38.487 0.248 0.000 1.305 416 N HN 0.576 nan 8.380 nan 0.000 0.506 417 V N -0.219 119.612 119.914 -0.138 0.000 2.667 417 V HA -0.181 3.939 4.120 -0.000 0.000 0.252 417 V C 1.503 177.480 176.094 -0.196 0.000 1.065 417 V CA 1.388 63.555 62.300 -0.220 0.000 1.083 417 V CB -0.383 31.089 31.823 -0.585 0.000 0.692 417 V HN 0.368 nan 8.190 nan 0.000 0.468 418 D N 0.021 120.288 120.400 -0.222 0.000 2.084 418 D HA -0.235 4.405 4.640 -0.000 0.000 0.196 418 D C 1.989 178.312 176.300 0.038 0.000 0.985 418 D CA 2.022 55.955 54.000 -0.112 0.000 0.826 418 D CB -0.934 39.812 40.800 -0.090 0.000 0.978 418 D HN 0.481 nan 8.370 nan 0.000 0.456 419 H N 0.266 119.342 119.070 0.011 0.000 2.321 419 H HA -0.085 4.471 4.556 -0.000 0.000 0.295 419 H C 2.389 177.737 175.328 0.032 0.000 1.102 419 H CA 1.013 57.057 56.048 -0.007 0.000 1.266 419 H CB -1.082 28.650 29.762 -0.050 0.000 1.363 419 H HN 0.292 nan 8.280 nan 0.000 0.492 420 C N 0.793 120.183 119.300 0.151 0.000 2.409 420 C HA -0.061 4.399 4.460 -0.000 0.000 0.288 420 C C 2.286 177.328 174.990 0.086 0.000 1.395 420 C CA 0.681 59.757 59.018 0.097 0.000 1.792 420 C CB -0.633 27.149 27.740 0.070 0.000 1.847 420 C HN 0.578 nan 8.230 nan 0.000 0.534 421 N N -0.390 118.360 118.700 0.083 0.000 2.460 421 N HA -0.045 4.695 4.740 -0.000 0.000 0.193 421 N C 1.938 177.491 175.510 0.072 0.000 1.080 421 N CA 1.492 54.589 53.050 0.078 0.000 0.869 421 N CB -0.346 38.184 38.487 0.072 0.000 1.201 421 N HN 0.639 nan 8.380 nan 0.000 0.457 422 T N -1.800 112.803 114.554 0.081 0.000 2.951 422 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 422 T C 0.820 175.576 174.700 0.093 0.000 1.073 422 T CA 1.126 63.268 62.100 0.070 0.000 1.134 422 T CB -0.226 68.683 68.868 0.069 0.000 0.884 422 T HN 0.096 nan 8.240 nan 0.000 0.479 423 H N 1.207 120.266 119.070 -0.017 0.000 2.317 423 H HA 0.645 5.200 4.556 -0.000 0.000 0.231 423 H C -0.553 174.758 175.328 -0.029 0.000 1.442 423 H CA -0.763 55.254 56.048 -0.052 0.000 1.336 423 H CB 0.035 29.748 29.762 -0.080 0.000 1.533 423 H HN 0.393 nan 8.280 nan 0.000 0.522 424 S N 1.946 117.575 115.700 -0.118 0.000 2.651 424 S HA 0.448 4.918 4.470 -0.000 0.000 0.279 424 S C -2.418 172.072 174.600 -0.184 0.000 1.148 424 S CA -1.428 56.698 58.200 -0.123 0.000 0.837 424 S CB 1.990 65.221 63.200 0.051 0.000 1.138 424 S HN 0.190 nan 8.310 nan 0.000 0.478 425 P HA 0.272 nan 4.420 nan 0.000 0.241 425 P C -0.549 176.414 177.300 -0.562 0.000 1.191 425 P CA 0.379 63.235 63.100 -0.407 0.000 0.771 425 P CB -0.263 31.236 31.700 -0.336 0.000 0.929 426 F N 0.070 120.016 119.950 -0.008 0.000 2.522 426 F HA 0.358 4.885 4.527 -0.000 0.000 0.324 426 F C 0.789 176.573 175.800 -0.027 0.000 1.077 426 F CA -1.413 56.584 58.000 -0.007 0.000 0.944 426 F CB 0.760 39.763 39.000 0.006 0.000 1.175 426 F HN -0.326 nan 8.300 nan 0.000 0.468 427 D N 3.601 124.110 120.400 0.182 0.000 2.343 427 D HA 0.186 4.825 4.640 -0.000 0.000 0.255 427 D C -1.814 174.543 176.300 0.094 0.000 1.187 427 D CA -2.068 51.986 54.000 0.089 0.000 0.875 427 D CB 1.692 42.519 40.800 0.046 0.000 1.136 427 D HN 0.109 nan 8.370 nan 0.000 0.469 428 P HA -0.056 nan 4.420 nan 0.000 0.218 428 P C 0.894 178.225 177.300 0.051 0.000 1.149 428 P CA 0.895 64.035 63.100 0.067 0.000 0.817 428 P CB 0.171 31.914 31.700 0.071 0.000 0.785 429 A N -0.841 122.004 122.820 0.043 0.000 1.969 429 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 429 A C 2.018 179.611 177.584 0.015 0.000 1.169 429 A CA 1.427 53.484 52.037 0.034 0.000 0.635 429 A CB -1.236 17.780 19.000 0.026 0.000 0.810 429 A HN 0.206 nan 8.150 nan 0.000 0.445 430 I N -2.829 117.745 120.570 0.006 0.000 3.883 430 I HA 0.311 4.481 4.170 -0.000 0.000 0.305 430 I C 0.932 177.019 176.117 -0.050 0.000 1.247 430 I CA 0.809 62.094 61.300 -0.025 0.000 1.350 430 I CB 0.566 38.550 38.000 -0.027 0.000 1.194 430 I HN 0.177 nan 8.210 nan 0.000 0.441 431 A N 2.373 125.174 122.820 -0.031 0.000 3.307 431 A HA 0.480 4.800 4.320 -0.000 0.000 0.289 431 A C -2.782 174.730 177.584 -0.119 0.000 1.138 431 A CA -0.862 51.111 52.037 -0.107 0.000 0.860 431 A CB -0.195 18.731 19.000 -0.123 0.000 1.318 431 A HN -0.119 nan 8.150 nan 0.000 0.551 432 P HA 0.340 nan 4.420 nan 0.000 0.274 432 P C -0.256 176.956 177.300 -0.148 0.000 1.246 432 P CA -0.110 62.953 63.100 -0.061 0.000 0.795 432 P CB 1.389 33.071 31.700 -0.030 0.000 1.006 433 V N 3.324 123.182 119.914 -0.093 0.000 2.328 433 V HA 0.295 4.415 4.120 -0.000 0.000 0.278 433 V C 1.259 177.245 176.094 -0.181 0.000 1.021 433 V CA -0.150 62.068 62.300 -0.136 0.000 0.838 433 V CB 0.516 32.316 31.823 -0.039 0.000 0.999 433 V HN 0.492 nan 8.190 nan 0.000 0.447 434 R N 4.587 124.880 120.500 -0.344 0.000 2.700 434 R HA 0.336 4.676 4.340 -0.000 0.000 0.399 434 R C 0.049 176.129 176.300 -0.367 0.000 1.115 434 R CA -0.121 55.606 56.100 -0.622 0.000 1.058 434 R CB 0.696 30.364 30.300 -1.053 0.000 1.389 434 R HN 0.915 nan 8.270 nan 0.000 0.582 435 Q N -2.149 117.443 119.800 -0.347 0.000 3.107 435 Q HA 0.233 4.573 4.340 -0.000 0.000 0.319 435 Q C -1.761 173.820 176.000 -0.698 0.000 0.868 435 Q CA -0.700 54.690 55.803 -0.687 0.000 0.825 435 Q CB 0.872 29.228 28.738 -0.638 0.000 1.553 435 Q HN -0.014 nan 8.270 nan 0.000 0.489 436 S N -0.281 114.726 115.700 -1.156 0.000 2.921 436 S HA 0.645 5.115 4.470 -0.000 0.000 0.315 436 S C -1.174 173.272 174.600 -0.258 0.000 1.087 436 S CA -0.072 57.852 58.200 -0.460 0.000 0.877 436 S CB 1.151 64.277 63.200 -0.124 0.000 1.340 436 S HN 0.815 nan 8.310 nan 0.000 0.622 437 N N 0.506 119.196 118.700 -0.017 0.000 2.741 437 N HA 0.227 4.967 4.740 -0.000 0.000 0.310 437 N C 1.025 176.614 175.510 0.133 0.000 1.295 437 N CA -0.614 52.462 53.050 0.044 0.000 0.893 437 N CB -0.290 38.173 38.487 -0.039 0.000 1.247 437 N HN 0.494 nan 8.380 nan 0.000 0.596 438 L N 0.888 122.144 121.223 0.055 0.000 1.991 438 L HA -0.181 4.159 4.340 -0.000 0.000 0.221 438 L C 1.956 178.778 176.870 -0.080 0.000 1.079 438 L CA 2.119 56.979 54.840 0.033 0.000 0.778 438 L CB -0.980 41.089 42.059 0.016 0.000 0.893 438 L HN 0.849 nan 8.230 nan 0.000 0.437 439 C N -1.377 117.751 119.300 -0.287 0.000 2.480 439 C HA 0.411 4.870 4.460 -0.000 0.000 0.317 439 C C 1.077 175.462 174.990 -1.009 0.000 1.300 439 C CA -1.115 57.363 59.018 -0.900 0.000 1.706 439 C CB -1.562 25.731 27.740 -0.746 0.000 1.840 439 C HN 0.521 nan 8.230 nan 0.000 0.596 440 L N -0.609 120.346 121.223 -0.448 0.000 3.660 440 L HA -0.291 4.049 4.340 -0.000 0.000 0.440 440 L C 1.265 178.012 176.870 -0.204 0.000 1.262 440 L CA 1.054 55.758 54.840 -0.227 0.000 0.837 440 L CB -2.264 39.655 42.059 -0.232 0.000 1.689 440 L HN 0.746 nan 8.230 nan 0.000 0.890 441 A N -1.435 121.276 122.820 -0.183 0.000 2.141 441 A HA 0.356 4.676 4.320 -0.000 0.000 0.201 441 A C 0.898 178.440 177.584 -0.070 0.000 1.344 441 A CA 0.022 51.984 52.037 -0.124 0.000 0.971 441 A CB 0.669 19.579 19.000 -0.150 0.000 1.035 441 A HN 0.209 nan 8.150 nan 0.000 0.480 442 I N 1.021 121.548 120.570 -0.071 0.000 2.428 442 I HA 0.536 4.706 4.170 -0.000 0.000 0.289 442 I C 0.225 176.311 176.117 -0.052 0.000 1.019 442 I CA -0.295 60.977 61.300 -0.048 0.000 1.351 442 I CB 0.911 38.878 38.000 -0.054 0.000 1.412 442 I HN 0.230 nan 8.210 nan 0.000 0.513 443 A N 8.281 131.091 122.820 -0.016 0.000 2.651 443 A HA 0.773 5.093 4.320 -0.000 0.000 0.290 443 A C -0.872 176.725 177.584 0.022 0.000 1.185 443 A CA -0.392 51.633 52.037 -0.020 0.000 0.746 443 A CB 0.677 19.684 19.000 0.012 0.000 1.213 443 A HN 0.621 nan 8.150 nan 0.000 0.429 444 L N 1.610 122.791 121.223 -0.069 0.000 2.409 444 L HA 0.580 4.920 4.340 -0.000 0.000 0.255 444 L C -2.681 174.024 176.870 -0.275 0.000 1.027 444 L CA -2.553 52.203 54.840 -0.141 0.000 0.834 444 L CB 2.764 44.779 42.059 -0.073 0.000 1.426 444 L HN 0.313 nan 8.230 nan 0.000 0.411 445 P HA 0.200 nan 4.420 nan 0.000 0.271 445 P C -1.015 176.163 177.300 -0.203 0.000 1.216 445 P CA -0.127 62.745 63.100 -0.379 0.000 0.776 445 P CB 0.750 32.147 31.700 -0.506 0.000 0.881 446 T N -0.352 114.104 114.554 -0.163 0.000 2.900 446 T HA 0.694 5.044 4.350 -0.000 0.000 0.303 446 T C -0.883 173.770 174.700 -0.079 0.000 1.142 446 T CA -1.072 60.967 62.100 -0.102 0.000 1.007 446 T CB 1.792 70.593 68.868 -0.112 0.000 1.156 446 T HN 0.134 nan 8.240 nan 0.000 0.490 447 K N 1.755 122.131 120.400 -0.041 0.000 2.427 447 K HA 0.618 4.938 4.320 -0.000 0.000 0.252 447 K C -2.967 173.626 176.600 -0.011 0.000 0.931 447 K CA -2.294 53.976 56.287 -0.029 0.000 0.793 447 K CB 2.202 34.688 32.500 -0.023 0.000 1.211 447 K HN 0.350 nan 8.250 nan 0.000 0.426 448 P HA 0.049 nan 4.420 nan 0.000 0.269 448 P C -0.942 176.368 177.300 0.017 0.000 1.215 448 P CA -0.414 62.689 63.100 0.006 0.000 0.780 448 P CB 0.468 32.173 31.700 0.008 0.000 0.898 449 L N 3.125 124.364 121.223 0.028 0.000 2.334 449 L HA 0.336 4.676 4.340 -0.000 0.000 0.275 449 L C 1.500 178.393 176.870 0.039 0.000 1.036 449 L CA 0.361 55.223 54.840 0.036 0.000 0.807 449 L CB 0.371 42.457 42.059 0.045 0.000 1.231 449 L HN 0.271 nan 8.230 nan 0.000 0.438 450 N N 0.714 119.436 118.700 0.036 0.000 2.254 450 N HA 0.063 4.803 4.740 -0.000 0.000 0.190 450 N C -0.585 174.948 175.510 0.039 0.000 1.107 450 N CA 0.353 53.425 53.050 0.036 0.000 0.869 450 N CB 0.655 39.159 38.487 0.028 0.000 0.983 450 N HN 0.693 nan 8.380 nan 0.000 0.487 451 D N -1.234 119.191 120.400 0.041 0.000 2.683 451 D HA -0.041 4.599 4.640 -0.000 0.000 0.246 451 D C 0.460 176.786 176.300 0.043 0.000 1.238 451 D CA -0.439 53.586 54.000 0.041 0.000 0.759 451 D CB 1.429 42.250 40.800 0.034 0.000 1.349 451 D HN -0.249 nan 8.370 nan 0.000 0.426 452 V N 2.482 122.422 119.914 0.043 0.000 2.392 452 V HA -0.140 3.980 4.120 -0.000 0.000 0.249 452 V C 1.130 177.245 176.094 0.035 0.000 1.059 452 V CA 1.751 64.076 62.300 0.041 0.000 1.051 452 V CB -0.450 31.394 31.823 0.036 0.000 0.658 452 V HN 0.493 nan 8.190 nan 0.000 0.455 453 N N 0.590 119.308 118.700 0.030 0.000 2.295 453 N HA 0.061 4.801 4.740 -0.000 0.000 0.221 453 N C 0.055 175.583 175.510 0.029 0.000 1.129 453 N CA -0.005 53.061 53.050 0.027 0.000 0.836 453 N CB -0.160 38.339 38.487 0.020 0.000 1.040 453 N HN 0.519 nan 8.380 nan 0.000 0.494 454 D N 1.790 122.210 120.400 0.033 0.000 2.472 454 D HA -0.053 4.587 4.640 -0.000 0.000 0.248 454 D C 0.915 177.237 176.300 0.036 0.000 1.174 454 D CA 0.390 54.409 54.000 0.033 0.000 0.883 454 D CB 0.925 41.745 40.800 0.034 0.000 1.149 454 D HN 0.101 nan 8.370 nan 0.000 0.488 455 E N 2.898 123.118 120.200 0.034 0.000 2.435 455 E HA -0.067 4.283 4.350 -0.000 0.000 0.195 455 E C 0.420 177.051 176.600 0.051 0.000 1.029 455 E CA 0.378 56.803 56.400 0.041 0.000 0.865 455 E CB -0.019 29.703 29.700 0.037 0.000 0.833 455 E HN 0.554 nan 8.360 nan 0.000 0.510 456 N N 0.377 119.101 118.700 0.039 0.000 2.251 456 N HA 0.103 4.843 4.740 -0.000 0.000 0.217 456 N C 0.349 175.876 175.510 0.029 0.000 1.124 456 N CA -0.130 52.939 53.050 0.032 0.000 0.843 456 N CB 1.048 39.542 38.487 0.012 0.000 1.024 456 N HN -0.028 nan 8.380 nan 0.000 0.501 457 G N 0.152 108.977 108.800 0.042 0.000 2.462 457 G HA2 0.413 4.373 3.960 -0.000 0.000 0.319 457 G HA3 0.413 4.373 3.960 -0.000 0.000 0.319 457 G C -1.014 173.921 174.900 0.058 0.000 1.171 457 G CA -0.305 44.818 45.100 0.038 0.000 0.920 457 G HN 0.107 nan 8.290 nan 0.000 0.499 458 E N 0.169 120.397 120.200 0.047 0.000 2.260 458 E HA 0.454 4.804 4.350 -0.000 0.000 0.266 458 E C -1.196 175.424 176.600 0.034 0.000 0.887 458 E CA -0.564 55.876 56.400 0.066 0.000 0.777 458 E CB 1.776 31.527 29.700 0.084 0.000 1.205 458 E HN 0.323 nan 8.360 nan 0.000 0.414 459 I N 3.171 123.766 120.570 0.042 0.000 2.378 459 I HA 0.468 4.638 4.170 -0.000 0.000 0.291 459 I C -0.036 176.083 176.117 0.003 0.000 0.992 459 I CA -0.599 60.714 61.300 0.021 0.000 1.154 459 I CB 1.784 39.822 38.000 0.064 0.000 1.315 459 I HN 0.563 nan 8.210 nan 0.000 0.448 460 A N 7.471 130.269 122.820 -0.037 0.000 2.316 460 A HA 0.820 5.139 4.320 -0.000 0.000 0.284 460 A C -0.572 176.979 177.584 -0.055 0.000 1.115 460 A CA -0.308 51.705 52.037 -0.040 0.000 0.812 460 A CB 0.661 19.621 19.000 -0.067 0.000 1.064 460 A HN 0.691 nan 8.150 nan 0.000 0.489 461 L N 0.029 121.238 121.223 -0.023 0.000 2.256 461 L HA 0.444 4.783 4.340 -0.000 0.000 0.261 461 L C -0.825 176.031 176.870 -0.022 0.000 1.022 461 L CA -0.845 53.974 54.840 -0.034 0.000 0.828 461 L CB 2.139 44.222 42.059 0.041 0.000 1.374 461 L HN 0.652 nan 8.230 nan 0.000 0.436 462 c N 0.696 119.279 118.600 -0.028 0.000 2.203 462 c HA 0.386 4.955 4.570 -0.000 0.000 0.325 462 c C 0.288 174.382 174.090 0.006 0.000 1.156 462 c CA -0.527 55.793 56.329 -0.016 0.000 1.597 462 c CB -0.205 42.288 42.510 -0.027 0.000 2.148 462 c HN 0.565 nan 8.230 nan 0.000 0.472 463 T N 5.668 120.231 114.554 0.014 0.000 2.853 463 T HA 0.509 4.859 4.350 -0.000 0.000 0.317 463 T C -0.061 174.638 174.700 -0.002 0.000 1.059 463 T CA -0.054 62.055 62.100 0.015 0.000 0.954 463 T CB 0.061 68.944 68.868 0.025 0.000 0.994 463 T HN 0.417 nan 8.240 nan 0.000 0.479 464 L N 1.480 122.699 121.223 -0.005 0.000 2.313 464 L HA 0.939 5.279 4.340 -0.000 0.000 0.268 464 L C 0.406 177.258 176.870 -0.030 0.000 1.010 464 L CA -0.866 53.963 54.840 -0.019 0.000 0.814 464 L CB 1.823 43.876 42.059 -0.010 0.000 1.304 464 L HN 0.480 nan 8.230 nan 0.000 0.441 465 S N -0.772 114.890 115.700 -0.063 0.000 2.627 465 S HA 0.842 5.312 4.470 -0.000 0.000 0.268 465 S C -1.919 172.571 174.600 -0.184 0.000 1.130 465 S CA -0.179 57.961 58.200 -0.099 0.000 0.819 465 S CB 1.872 65.005 63.200 -0.113 0.000 1.100 465 S HN 0.944 nan 8.310 nan 0.000 0.465 466 A N 1.108 123.798 122.820 -0.217 0.000 2.574 466 A HA 0.807 5.127 4.320 -0.000 0.000 0.297 466 A C -1.917 175.507 177.584 -0.267 0.000 1.062 466 A CA -0.548 51.337 52.037 -0.253 0.000 0.686 466 A CB 0.668 19.632 19.000 -0.059 0.000 1.285 466 A HN 0.484 nan 8.150 nan 0.000 0.403 467 F N 1.621 121.569 119.950 -0.003 0.000 2.396 467 F HA 0.377 4.904 4.527 -0.000 0.000 0.343 467 F C 0.910 176.708 175.800 -0.004 0.000 1.104 467 F CA -0.715 57.269 58.000 -0.027 0.000 1.161 467 F CB 1.060 40.017 39.000 -0.073 0.000 1.146 467 F HN 0.582 nan 8.300 nan 0.000 0.522 468 N N 3.853 122.676 118.700 0.205 0.000 2.439 468 N HA 0.127 4.867 4.740 -0.000 0.000 0.243 468 N C 0.609 176.204 175.510 0.143 0.000 1.088 468 N CA 0.082 53.230 53.050 0.163 0.000 0.940 468 N CB 0.468 39.049 38.487 0.157 0.000 1.180 468 N HN 0.686 nan 8.380 nan 0.000 0.505 469 L N 2.131 123.422 121.223 0.113 0.000 2.456 469 L HA 0.037 4.376 4.340 -0.000 0.000 0.224 469 L C 2.066 179.082 176.870 0.244 0.000 1.148 469 L CA 0.844 55.691 54.840 0.012 0.000 0.825 469 L CB -0.107 41.768 42.059 -0.307 0.000 0.937 469 L HN 0.562 nan 8.230 nan 0.000 0.450 470 G N -0.612 108.394 108.800 0.344 0.000 2.623 470 G HA2 0.016 3.976 3.960 -0.000 0.000 0.214 470 G HA3 0.016 3.976 3.960 -0.000 0.000 0.214 470 G C 1.464 176.563 174.900 0.332 0.000 1.138 470 G CA 0.633 46.031 45.100 0.496 0.000 0.794 470 G HN 0.428 nan 8.290 nan 0.000 0.535 471 A N 0.058 123.005 122.820 0.211 0.000 2.348 471 A HA 0.553 4.873 4.320 -0.000 0.000 0.224 471 A C 0.957 178.595 177.584 0.091 0.000 1.227 471 A CA -0.266 51.858 52.037 0.145 0.000 0.885 471 A CB -0.197 18.880 19.000 0.128 0.000 0.933 471 A HN 0.512 nan 8.150 nan 0.000 0.506 472 I N -3.992 116.635 120.570 0.095 0.000 2.566 472 I HA 0.451 4.621 4.170 -0.000 0.000 0.303 472 I C 0.458 176.619 176.117 0.074 0.000 0.983 472 I CA -0.829 60.496 61.300 0.042 0.000 1.235 472 I CB 0.896 38.892 38.000 -0.008 0.000 1.386 472 I HN -0.111 nan 8.210 nan 0.000 0.494 473 N N 2.885 121.606 118.700 0.036 0.000 2.428 473 N HA 0.035 4.775 4.740 -0.000 0.000 0.181 473 N C -0.289 175.253 175.510 0.053 0.000 1.028 473 N CA 0.616 53.690 53.050 0.040 0.000 0.877 473 N CB -0.229 38.259 38.487 0.002 0.000 1.064 473 N HN 0.885 nan 8.380 nan 0.000 0.434 474 N N -0.995 117.720 118.700 0.026 0.000 2.405 474 N HA 0.315 5.054 4.740 -0.000 0.000 0.285 474 N C 0.154 175.675 175.510 0.018 0.000 1.262 474 N CA -0.652 52.419 53.050 0.035 0.000 0.773 474 N CB 1.546 40.041 38.487 0.013 0.000 1.490 474 N HN -0.240 nan 8.380 nan 0.000 0.486 475 L N -0.410 120.838 121.223 0.043 0.000 2.362 475 L HA -0.039 4.300 4.340 -0.000 0.000 0.219 475 L C 0.638 177.547 176.870 0.065 0.000 1.134 475 L CA 0.803 55.666 54.840 0.039 0.000 0.807 475 L CB -0.364 41.748 42.059 0.089 0.000 0.927 475 L HN 0.682 nan 8.230 nan 0.000 0.447 476 D N 0.254 120.687 120.400 0.055 0.000 2.363 476 D HA -0.101 4.539 4.640 -0.000 0.000 0.220 476 D C 1.567 177.758 176.300 -0.183 0.000 0.994 476 D CA 0.622 54.626 54.000 0.007 0.000 0.890 476 D CB 0.150 40.986 40.800 0.060 0.000 0.906 476 D HN 0.511 nan 8.370 nan 0.000 0.530 477 E N 0.187 120.291 120.200 -0.160 0.000 2.482 477 E HA 0.018 4.368 4.350 -0.000 0.000 0.196 477 E C 1.936 178.356 176.600 -0.299 0.000 1.047 477 E CA 0.002 56.283 56.400 -0.199 0.000 0.869 477 E CB 0.186 29.803 29.700 -0.139 0.000 0.836 477 E HN 0.291 nan 8.360 nan 0.000 0.520 478 L N 1.013 122.006 121.223 -0.383 0.000 2.217 478 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 478 L C 2.610 179.107 176.870 -0.621 0.000 1.107 478 L CA 0.910 55.441 54.840 -0.515 0.000 0.783 478 L CB -0.189 41.623 42.059 -0.412 0.000 0.919 478 L HN 0.196 nan 8.230 nan 0.000 0.442 479 E N 0.607 120.191 120.200 -1.027 0.000 2.058 479 E HA -0.314 4.036 4.350 -0.000 0.000 0.194 479 E C 2.000 178.369 176.600 -0.385 0.000 0.997 479 E CA 1.682 57.509 56.400 -0.954 0.000 0.801 479 E CB 0.143 29.188 29.700 -1.090 0.000 0.746 479 E HN 0.336 nan 8.360 nan 0.000 0.450 480 E N 0.547 120.565 120.200 -0.303 0.000 2.072 480 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 480 E C 2.091 178.639 176.600 -0.086 0.000 0.985 480 E CA 1.227 57.530 56.400 -0.162 0.000 0.801 480 E CB -0.281 29.326 29.700 -0.154 0.000 0.750 480 E HN 0.395 nan 8.360 nan 0.000 0.452 481 L N -0.068 121.084 121.223 -0.117 0.000 2.093 481 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 481 L C 2.551 179.544 176.870 0.205 0.000 1.085 481 L CA 0.968 55.825 54.840 0.029 0.000 0.755 481 L CB -0.664 41.394 42.059 -0.002 0.000 0.904 481 L HN 0.192 nan 8.230 nan 0.000 0.435 482 A N 0.767 123.634 122.820 0.078 0.000 1.883 482 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 482 A C 2.245 179.928 177.584 0.164 0.000 1.186 482 A CA 1.629 53.797 52.037 0.219 0.000 0.624 482 A CB -0.708 18.348 19.000 0.092 0.000 0.822 482 A HN 0.306 nan 8.150 nan 0.000 0.444 483 I N -0.637 119.989 120.570 0.093 0.000 2.068 483 I HA -0.310 3.860 4.170 -0.000 0.000 0.238 483 I C 2.350 178.594 176.117 0.211 0.000 1.046 483 I CA 1.328 62.705 61.300 0.129 0.000 1.306 483 I CB -0.466 37.604 38.000 0.117 0.000 1.023 483 I HN 0.232 nan 8.210 nan 0.000 0.399 484 L N 0.681 122.053 121.223 0.248 0.000 2.012 484 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 484 L C 2.744 179.869 176.870 0.424 0.000 1.073 484 L CA 2.302 57.378 54.840 0.393 0.000 0.748 484 L CB -1.816 40.456 42.059 0.354 0.000 0.891 484 L HN 0.288 nan 8.230 nan 0.000 0.431 485 A N -0.804 122.201 122.820 0.309 0.000 1.865 485 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 485 A C 2.435 180.095 177.584 0.127 0.000 1.191 485 A CA 2.186 54.351 52.037 0.213 0.000 0.623 485 A CB -1.020 18.010 19.000 0.051 0.000 0.826 485 A HN 0.215 nan 8.150 nan 0.000 0.444 486 V N -0.151 119.827 119.914 0.108 0.000 2.255 486 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 486 V C 2.657 178.759 176.094 0.013 0.000 1.051 486 V CA 2.470 64.798 62.300 0.047 0.000 1.018 486 V CB -0.906 30.944 31.823 0.046 0.000 0.641 486 V HN 0.536 nan 8.190 nan 0.000 0.445 487 R N 0.066 120.596 120.500 0.050 0.000 2.094 487 R HA -0.181 4.159 4.340 -0.000 0.000 0.239 487 R C 2.445 178.586 176.300 -0.265 0.000 1.137 487 R CA 1.762 57.844 56.100 -0.030 0.000 0.943 487 R CB -0.781 29.569 30.300 0.084 0.000 0.850 487 R HN 0.551 nan 8.270 nan 0.000 0.433 488 A N 0.783 123.429 122.820 -0.290 0.000 1.908 488 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 488 A C 2.165 179.529 177.584 -0.368 0.000 1.181 488 A CA 1.271 52.950 52.037 -0.596 0.000 0.627 488 A CB -0.550 18.125 19.000 -0.541 0.000 0.818 488 A HN 0.211 nan 8.150 nan 0.000 0.445 489 L N -1.040 120.080 121.223 -0.171 0.000 2.056 489 L HA -0.174 4.165 4.340 -0.000 0.000 0.207 489 L C 2.398 179.200 176.870 -0.114 0.000 1.078 489 L CA 1.755 56.524 54.840 -0.119 0.000 0.749 489 L CB -0.619 41.407 42.059 -0.056 0.000 0.901 489 L HN 0.423 nan 8.230 nan 0.000 0.433 490 D N 0.006 120.341 120.400 -0.108 0.000 2.123 490 D HA -0.210 4.430 4.640 -0.000 0.000 0.196 490 D C 2.143 178.380 176.300 -0.106 0.000 0.992 490 D CA 1.422 55.370 54.000 -0.085 0.000 0.833 490 D CB 0.160 40.916 40.800 -0.073 0.000 0.954 490 D HN 0.288 nan 8.370 nan 0.000 0.455 491 A N -0.057 122.644 122.820 -0.198 0.000 1.877 491 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 491 A C 2.142 179.647 177.584 -0.131 0.000 1.186 491 A CA 1.354 53.266 52.037 -0.208 0.000 0.620 491 A CB -0.960 17.783 19.000 -0.428 0.000 0.822 491 A HN 0.383 nan 8.150 nan 0.000 0.443 492 L N -0.016 121.100 121.223 -0.178 0.000 2.043 492 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 492 L C 2.300 179.207 176.870 0.061 0.000 1.075 492 L CA 1.746 56.528 54.840 -0.097 0.000 0.752 492 L CB -0.515 41.443 42.059 -0.168 0.000 0.891 492 L HN 0.434 nan 8.230 nan 0.000 0.432 493 L N -0.500 120.755 121.223 0.053 0.000 2.051 493 L HA -0.301 4.039 4.340 -0.000 0.000 0.214 493 L C 2.025 179.017 176.870 0.203 0.000 1.076 493 L CA 1.834 56.758 54.840 0.141 0.000 0.758 493 L CB -0.832 41.273 42.059 0.076 0.000 0.890 493 L HN 0.404 nan 8.230 nan 0.000 0.433 494 D N -2.097 118.382 120.400 0.131 0.000 2.333 494 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 494 D C 1.821 178.229 176.300 0.181 0.000 0.984 494 D CA 0.618 54.702 54.000 0.139 0.000 0.873 494 D CB 0.058 40.900 40.800 0.071 0.000 0.935 494 D HN 0.325 nan 8.370 nan 0.000 0.521 495 Y N 2.130 122.455 120.300 0.043 0.000 2.243 495 Y HA -0.078 4.472 4.550 -0.000 0.000 0.293 495 Y C 1.274 177.239 175.900 0.107 0.000 1.124 495 Y CA 0.734 58.864 58.100 0.051 0.000 1.159 495 Y CB 0.122 38.575 38.460 -0.011 0.000 1.008 495 Y HN -0.057 nan 8.280 nan 0.000 0.527 496 Q N 0.590 120.520 119.800 0.216 0.000 2.318 496 Q HA 0.238 4.577 4.340 -0.000 0.000 0.222 496 Q C -1.065 174.842 176.000 -0.155 0.000 1.003 496 Q CA -0.712 55.151 55.803 0.099 0.000 0.936 496 Q CB 0.797 29.641 28.738 0.177 0.000 1.204 496 Q HN 0.096 nan 8.270 nan 0.000 0.524 497 D N -0.106 120.131 120.400 -0.272 0.000 2.217 497 D HA 0.303 4.943 4.640 -0.000 0.000 0.248 497 D C -1.368 174.668 176.300 -0.441 0.000 1.008 497 D CA -0.268 53.587 54.000 -0.240 0.000 0.914 497 D CB 0.808 41.507 40.800 -0.168 0.000 1.182 497 D HN 0.408 nan 8.370 nan 0.000 0.451 498 Y N 1.158 121.451 120.300 -0.011 0.000 2.345 498 Y HA 0.247 4.796 4.550 -0.000 0.000 0.331 498 Y C -1.213 174.658 175.900 -0.049 0.000 0.959 498 Y CA -1.593 56.511 58.100 0.008 0.000 1.204 498 Y CB 1.547 40.026 38.460 0.032 0.000 1.135 498 Y HN 0.231 nan 8.280 nan 0.000 0.477 499 P HA -0.076 nan 4.420 nan 0.000 0.218 499 P C -0.021 177.221 177.300 -0.096 0.000 1.149 499 P CA 1.452 64.461 63.100 -0.152 0.000 0.817 499 P CB 0.861 32.327 31.700 -0.389 0.000 0.785 500 I N -0.288 120.273 120.570 -0.015 0.000 2.466 500 I HA 0.221 4.391 4.170 -0.000 0.000 0.289 500 I C -1.776 174.393 176.117 0.087 0.000 1.026 500 I CA -2.878 58.443 61.300 0.035 0.000 1.078 500 I CB 1.481 39.526 38.000 0.075 0.000 1.249 500 I HN -0.294 nan 8.210 nan 0.000 0.429 501 P HA -0.245 nan 4.420 nan 0.000 0.219 501 P C 1.526 178.849 177.300 0.038 0.000 1.158 501 P CA 2.164 65.287 63.100 0.037 0.000 0.895 501 P CB 0.347 32.065 31.700 0.030 0.000 0.792 502 A N -0.825 122.031 122.820 0.061 0.000 2.076 502 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 502 A C 2.249 179.874 177.584 0.068 0.000 1.160 502 A CA 1.980 54.057 52.037 0.067 0.000 0.653 502 A CB -1.345 17.698 19.000 0.073 0.000 0.801 502 A HN 0.250 nan 8.150 nan 0.000 0.455 503 A N -0.414 122.472 122.820 0.110 0.000 1.935 503 A HA 0.024 4.344 4.320 -0.000 0.000 0.214 503 A C 2.039 179.602 177.584 -0.034 0.000 1.178 503 A CA 1.599 53.727 52.037 0.151 0.000 0.640 503 A CB -0.312 18.915 19.000 0.380 0.000 0.825 503 A HN 0.500 nan 8.150 nan 0.000 0.447 504 K N -0.235 120.040 120.400 -0.209 0.000 2.002 504 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 504 K C 2.317 178.663 176.600 -0.423 0.000 1.048 504 K CA 1.288 57.158 56.287 -0.695 0.000 0.930 504 K CB -0.197 32.032 32.500 -0.450 0.000 0.714 504 K HN 0.281 nan 8.250 nan 0.000 0.438 505 R N -0.338 120.045 120.500 -0.195 0.000 2.136 505 R HA -0.172 4.168 4.340 -0.000 0.000 0.242 505 R C 2.392 178.541 176.300 -0.251 0.000 1.131 505 R CA 1.990 58.013 56.100 -0.128 0.000 0.937 505 R CB -1.033 29.313 30.300 0.077 0.000 0.863 505 R HN 0.494 nan 8.270 nan 0.000 0.435 506 G N 0.029 108.755 108.800 -0.124 0.000 2.418 506 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 506 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 506 G C 1.548 176.321 174.900 -0.212 0.000 1.158 506 G CA 0.927 45.959 45.100 -0.112 0.000 0.771 506 G HN 0.470 nan 8.290 nan 0.000 0.545 507 A N 0.493 123.186 122.820 -0.212 0.000 1.873 507 A HA 0.101 4.421 4.320 -0.000 0.000 0.215 507 A C 2.418 179.856 177.584 -0.244 0.000 1.186 507 A CA 1.836 53.777 52.037 -0.161 0.000 0.616 507 A CB -0.283 18.674 19.000 -0.072 0.000 0.823 507 A HN 0.282 nan 8.150 nan 0.000 0.442 508 M N -0.363 119.017 119.600 -0.366 0.000 2.254 508 M HA -0.029 4.451 4.480 -0.000 0.000 0.265 508 M C 2.261 178.252 176.300 -0.514 0.000 1.066 508 M CA 1.302 56.390 55.300 -0.354 0.000 1.123 508 M CB -1.824 30.578 32.600 -0.329 0.000 1.388 508 M HN 0.458 nan 8.290 nan 0.000 0.425 509 G N 1.341 109.621 108.800 -0.866 0.000 2.434 509 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.214 509 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.214 509 G C 1.660 176.075 174.900 -0.808 0.000 1.202 509 G CA 0.428 44.506 45.100 -1.703 0.000 0.788 509 G HN 0.532 nan 8.290 nan 0.000 0.539 510 R N -0.764 119.522 120.500 -0.357 0.000 2.404 510 R HA 0.324 4.663 4.340 -0.000 0.000 0.237 510 R C 0.400 176.711 176.300 0.018 0.000 0.907 510 R CA -0.406 55.699 56.100 0.010 0.000 1.063 510 R CB 0.360 30.803 30.300 0.238 0.000 1.134 510 R HN 0.109 nan 8.270 nan 0.000 0.529 511 R N 2.184 122.648 120.500 -0.061 0.000 3.301 511 R HA -0.118 4.222 4.340 -0.000 0.000 0.249 511 R C -0.667 175.646 176.300 0.020 0.000 0.964 511 R CA 1.210 57.294 56.100 -0.027 0.000 0.653 511 R CB -2.058 28.218 30.300 -0.040 0.000 1.043 511 R HN 0.435 nan 8.270 nan 0.000 0.454 512 T N -0.911 113.673 114.554 0.050 0.000 2.794 512 T HA 0.584 4.934 4.350 -0.000 0.000 0.296 512 T C 0.713 175.443 174.700 0.050 0.000 0.949 512 T CA -0.667 61.482 62.100 0.082 0.000 1.101 512 T CB 1.539 70.484 68.868 0.129 0.000 0.905 512 T HN 0.210 nan 8.240 nan 0.000 0.516 513 L N 2.011 123.258 121.223 0.039 0.000 2.323 513 L HA 0.811 5.151 4.340 -0.000 0.000 0.265 513 L C 0.577 177.459 176.870 0.021 0.000 1.012 513 L CA -1.289 53.562 54.840 0.019 0.000 0.820 513 L CB 2.268 44.328 42.059 0.000 0.000 1.334 513 L HN 0.918 nan 8.230 nan 0.000 0.427 514 G N 2.245 111.047 108.800 0.004 0.000 3.171 514 G HA2 0.596 4.556 3.960 -0.000 0.000 0.305 514 G HA3 0.596 4.556 3.960 -0.000 0.000 0.305 514 G C -0.842 174.041 174.900 -0.027 0.000 1.584 514 G CA -0.161 44.940 45.100 0.002 0.000 1.070 514 G HN 0.337 nan 8.290 nan 0.000 0.535 515 I N 2.022 122.568 120.570 -0.041 0.000 2.359 515 I HA 0.674 4.844 4.170 -0.000 0.000 0.294 515 I C 0.892 176.964 176.117 -0.075 0.000 0.987 515 I CA -0.448 60.776 61.300 -0.127 0.000 1.225 515 I CB 2.059 39.929 38.000 -0.216 0.000 1.366 515 I HN 0.452 nan 8.210 nan 0.000 0.466 516 G N 4.784 113.530 108.800 -0.090 0.000 3.166 516 G HA2 0.741 4.701 3.960 -0.000 0.000 0.267 516 G HA3 0.741 4.701 3.960 -0.000 0.000 0.267 516 G C -0.878 174.035 174.900 0.022 0.000 1.256 516 G CA -0.431 44.682 45.100 0.022 0.000 0.859 516 G HN 0.517 nan 8.290 nan 0.000 0.590 517 V N -1.698 118.274 119.914 0.096 0.000 3.113 517 V HA 0.907 5.027 4.120 -0.000 0.000 0.316 517 V C -0.263 175.911 176.094 0.133 0.000 1.125 517 V CA -1.025 61.346 62.300 0.117 0.000 1.026 517 V CB 1.394 33.287 31.823 0.116 0.000 1.080 517 V HN 1.183 nan 8.190 nan 0.000 0.444 518 I N -1.707 118.959 120.570 0.159 0.000 2.994 518 I HA 0.636 4.806 4.170 -0.000 0.000 0.306 518 I C -0.014 176.246 176.117 0.239 0.000 1.195 518 I CA -0.692 60.718 61.300 0.185 0.000 1.001 518 I CB 2.118 40.204 38.000 0.143 0.000 1.244 518 I HN 0.906 nan 8.210 nan 0.000 0.437 519 N N 0.700 119.572 118.700 0.286 0.000 2.882 519 N HA -0.239 4.501 4.740 -0.000 0.000 0.249 519 N C 0.450 176.231 175.510 0.452 0.000 1.079 519 N CA 0.747 54.009 53.050 0.355 0.000 0.800 519 N CB -0.642 38.041 38.487 0.327 0.000 1.124 519 N HN 0.775 nan 8.380 nan 0.000 0.557 520 F N 1.284 121.401 119.950 0.277 0.000 2.095 520 F HA -0.091 4.435 4.527 -0.000 0.000 0.298 520 F C 2.298 178.307 175.800 0.348 0.000 1.104 520 F CA 2.179 60.347 58.000 0.280 0.000 1.232 520 F CB -0.696 38.468 39.000 0.272 0.000 0.987 520 F HN 0.225 nan 8.300 nan 0.000 0.475 521 A N -0.494 122.572 122.820 0.410 0.000 1.892 521 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 521 A C 2.197 179.950 177.584 0.281 0.000 1.188 521 A CA 1.944 54.212 52.037 0.386 0.000 0.631 521 A CB -1.850 17.495 19.000 0.576 0.000 0.822 521 A HN 0.630 nan 8.150 nan 0.000 0.447 522 Y N -1.293 119.180 120.300 0.289 0.000 2.224 522 Y HA -0.249 4.301 4.550 -0.000 0.000 0.289 522 Y C 2.183 178.130 175.900 0.077 0.000 1.146 522 Y CA 1.863 60.074 58.100 0.185 0.000 1.182 522 Y CB -0.647 37.990 38.460 0.296 0.000 0.983 522 Y HN 0.444 nan 8.280 nan 0.000 0.524 523 Y N 0.335 120.593 120.300 -0.071 0.000 2.114 523 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 523 Y C 2.130 177.890 175.900 -0.234 0.000 1.143 523 Y CA 2.085 60.093 58.100 -0.153 0.000 1.135 523 Y CB -0.615 37.824 38.460 -0.035 0.000 0.980 523 Y HN 0.143 nan 8.280 nan 0.000 0.499 524 L N -0.274 120.748 121.223 -0.334 0.000 2.127 524 L HA -0.248 4.092 4.340 -0.000 0.000 0.211 524 L C 2.689 179.358 176.870 -0.336 0.000 1.089 524 L CA 1.215 55.794 54.840 -0.435 0.000 0.757 524 L CB -1.036 40.678 42.059 -0.576 0.000 0.899 524 L HN 0.413 nan 8.230 nan 0.000 0.434 525 A N 0.406 123.005 122.820 -0.369 0.000 1.929 525 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 525 A C 2.270 179.594 177.584 -0.434 0.000 1.176 525 A CA 1.063 52.841 52.037 -0.432 0.000 0.628 525 A CB -0.200 18.353 19.000 -0.745 0.000 0.816 525 A HN 0.357 nan 8.150 nan 0.000 0.444 526 K N -0.480 119.603 120.400 -0.527 0.000 2.147 526 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 526 K C 1.102 177.389 176.600 -0.521 0.000 1.049 526 K CA 1.318 57.291 56.287 -0.523 0.000 0.936 526 K CB -0.432 31.712 32.500 -0.593 0.000 0.722 526 K HN 0.652 nan 8.250 nan 0.000 0.446 527 H N 0.120 118.924 119.070 -0.443 0.000 2.526 527 H HA 0.092 4.648 4.556 -0.000 0.000 0.274 527 H C 0.710 175.873 175.328 -0.275 0.000 0.999 527 H CA 0.483 56.310 56.048 -0.368 0.000 1.157 527 H CB 0.457 29.936 29.762 -0.473 0.000 1.407 527 H HN 0.479 nan 8.280 nan 0.000 0.568 528 G N 2.180 110.866 108.800 -0.191 0.000 2.273 528 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 528 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 528 G C 0.138 174.970 174.900 -0.114 0.000 1.047 528 G CA 0.215 45.225 45.100 -0.151 0.000 0.869 528 G HN 0.217 nan 8.290 nan 0.000 0.502 529 K N -1.077 119.243 120.400 -0.134 0.000 2.245 529 K HA 0.818 5.138 4.320 -0.000 0.000 0.234 529 K C 0.497 177.037 176.600 -0.100 0.000 1.021 529 K CA -0.820 55.399 56.287 -0.114 0.000 0.898 529 K CB 1.654 34.071 32.500 -0.139 0.000 1.163 529 K HN 0.257 nan 8.250 nan 0.000 0.459 530 R N -0.874 119.591 120.500 -0.058 0.000 2.855 530 R HA 0.312 4.652 4.340 -0.000 0.000 0.266 530 R C 0.456 176.791 176.300 0.059 0.000 1.034 530 R CA -0.414 55.706 56.100 0.033 0.000 0.944 530 R CB 0.826 31.168 30.300 0.070 0.000 1.219 530 R HN 0.500 nan 8.270 nan 0.000 0.474 531 Y N -0.923 119.414 120.300 0.062 0.000 2.347 531 Y HA -0.034 4.516 4.550 0.000 0.000 0.294 531 Y C 2.140 178.099 175.900 0.099 0.000 1.117 531 Y CA 1.262 59.430 58.100 0.113 0.000 1.184 531 Y CB 0.334 38.901 38.460 0.178 0.000 1.047 531 Y HN 0.572 nan 8.280 nan 0.000 0.546 532 S N -0.703 115.141 115.700 0.241 0.000 2.527 532 S HA -0.070 4.400 4.470 -0.000 0.000 0.222 532 S C 0.989 175.655 174.600 0.109 0.000 0.985 532 S CA 0.825 59.121 58.200 0.162 0.000 0.921 532 S CB -0.319 62.954 63.200 0.123 0.000 0.772 532 S HN 0.544 nan 8.310 nan 0.000 0.529 533 D N 0.064 120.517 120.400 0.087 0.000 2.379 533 D HA 0.301 4.941 4.640 -0.000 0.000 0.208 533 D C 1.412 177.736 176.300 0.040 0.000 1.065 533 D CA 0.564 54.599 54.000 0.057 0.000 0.848 533 D CB -0.515 40.312 40.800 0.045 0.000 0.949 533 D HN 0.483 nan 8.370 nan 0.000 0.509 534 G N 0.472 109.294 108.800 0.037 0.000 2.176 534 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.253 534 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.253 534 G C 1.199 176.099 174.900 0.001 0.000 0.979 534 G CA 0.796 45.903 45.100 0.010 0.000 0.641 534 G HN 0.659 nan 8.290 nan 0.000 0.530 535 S N -0.550 115.152 115.700 0.003 0.000 2.474 535 S HA 0.380 4.850 4.470 -0.000 0.000 0.235 535 S C 2.130 176.717 174.600 -0.022 0.000 0.997 535 S CA 1.370 59.563 58.200 -0.010 0.000 0.949 535 S CB 0.025 63.217 63.200 -0.014 0.000 0.766 535 S HN 1.729 nan 8.310 nan 0.000 0.517 536 A N 0.915 123.720 122.820 -0.025 0.000 2.348 536 A HA 0.357 4.677 4.320 -0.000 0.000 0.224 536 A C 1.634 179.236 177.584 0.031 0.000 1.227 536 A CA -0.055 51.967 52.037 -0.026 0.000 0.885 536 A CB -0.352 18.593 19.000 -0.091 0.000 0.933 536 A HN 0.428 nan 8.150 nan 0.000 0.506 537 N N 1.785 120.496 118.700 0.019 0.000 2.007 537 N HA -0.189 4.550 4.740 -0.000 0.000 0.197 537 N C 1.409 176.967 175.510 0.079 0.000 1.050 537 N CA 1.971 55.038 53.050 0.027 0.000 0.856 537 N CB -0.344 38.133 38.487 -0.016 0.000 1.050 537 N HN 0.453 nan 8.380 nan 0.000 0.423 538 N N 0.424 119.156 118.700 0.055 0.000 2.084 538 N HA -0.108 4.632 4.740 -0.000 0.000 0.190 538 N C 1.749 177.344 175.510 0.141 0.000 1.030 538 N CA 0.486 53.583 53.050 0.079 0.000 0.849 538 N CB -0.707 37.796 38.487 0.027 0.000 1.012 538 N HN 0.164 nan 8.380 nan 0.000 0.423 539 L N 1.475 122.758 121.223 0.100 0.000 2.042 539 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 539 L C 1.921 178.929 176.870 0.229 0.000 1.076 539 L CA 1.800 56.706 54.840 0.112 0.000 0.749 539 L CB -1.288 40.775 42.059 0.006 0.000 0.893 539 L HN 0.122 nan 8.230 nan 0.000 0.432 540 T N -1.258 113.459 114.554 0.271 0.000 2.684 540 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 540 T C 1.841 176.761 174.700 0.366 0.000 1.036 540 T CA 1.570 63.909 62.100 0.399 0.000 1.148 540 T CB -0.557 68.492 68.868 0.301 0.000 0.863 540 T HN 0.522 nan 8.240 nan 0.000 0.436 541 H N 1.502 120.688 119.070 0.192 0.000 2.319 541 H HA -0.062 4.494 4.556 -0.000 0.000 0.297 541 H C 2.459 177.860 175.328 0.121 0.000 1.097 541 H CA 1.825 57.989 56.048 0.194 0.000 1.285 541 H CB -0.179 29.660 29.762 0.128 0.000 1.368 541 H HN 0.261 nan 8.280 nan 0.000 0.495 542 K N -0.338 120.253 120.400 0.318 0.000 2.032 542 K HA -0.111 4.209 4.320 -0.000 0.000 0.209 542 K C 2.080 178.742 176.600 0.102 0.000 1.048 542 K CA 1.867 58.311 56.287 0.262 0.000 0.927 542 K CB 0.017 32.667 32.500 0.250 0.000 0.712 542 K HN 0.309 nan 8.250 nan 0.000 0.441 543 T N 0.309 114.917 114.554 0.091 0.000 2.821 543 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 543 T C 1.561 176.045 174.700 -0.360 0.000 1.046 543 T CA 1.204 63.248 62.100 -0.093 0.000 1.139 543 T CB -0.221 68.607 68.868 -0.066 0.000 0.871 543 T HN 0.141 nan 8.240 nan 0.000 0.454 544 F N 1.110 120.918 119.950 -0.237 0.000 2.416 544 F HA 0.176 4.703 4.527 -0.000 0.000 0.296 544 F C 2.491 177.827 175.800 -0.773 0.000 1.099 544 F CA 0.369 58.172 58.000 -0.329 0.000 1.427 544 F CB -0.119 38.806 39.000 -0.124 0.000 1.079 544 F HN 0.147 nan 8.300 nan 0.000 0.536 545 E N 0.746 120.257 120.200 -1.149 0.000 2.072 545 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 545 E C 2.346 178.741 176.600 -0.342 0.000 0.985 545 E CA 1.080 56.827 56.400 -1.088 0.000 0.801 545 E CB -0.099 29.270 29.700 -0.551 0.000 0.750 545 E HN 0.313 nan 8.360 nan 0.000 0.452 546 A N 1.320 123.985 122.820 -0.258 0.000 1.858 546 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 546 A C 2.202 179.614 177.584 -0.286 0.000 1.190 546 A CA 1.454 53.295 52.037 -0.328 0.000 0.617 546 A CB -0.731 18.231 19.000 -0.064 0.000 0.827 546 A HN 0.318 nan 8.150 nan 0.000 0.443 547 I N -0.849 119.566 120.570 -0.258 0.000 2.118 547 I HA -0.330 3.840 4.170 -0.000 0.000 0.241 547 I C 2.820 178.920 176.117 -0.028 0.000 1.070 547 I CA 2.058 63.253 61.300 -0.174 0.000 1.327 547 I CB -0.239 37.633 38.000 -0.213 0.000 1.034 547 I HN 0.409 nan 8.210 nan 0.000 0.405 548 Q N -0.064 119.753 119.800 0.029 0.000 2.079 548 Q HA -0.250 4.090 4.340 -0.000 0.000 0.200 548 Q C 2.079 178.109 176.000 0.050 0.000 0.974 548 Q CA 1.765 57.678 55.803 0.185 0.000 0.840 548 Q CB -0.538 28.481 28.738 0.468 0.000 0.898 548 Q HN 0.581 nan 8.270 nan 0.000 0.430 549 Y N -0.525 119.585 120.300 -0.317 0.000 2.097 549 Y HA -0.304 4.246 4.550 -0.000 0.000 0.282 549 Y C 1.568 177.122 175.900 -0.577 0.000 1.152 549 Y CA 2.042 59.663 58.100 -0.799 0.000 1.136 549 Y CB -0.553 37.107 38.460 -1.334 0.000 0.975 549 Y HN 0.176 nan 8.280 nan 0.000 0.498 550 Y N 0.190 120.251 120.300 -0.397 0.000 2.274 550 Y HA -0.222 4.328 4.550 -0.000 0.000 0.290 550 Y C 2.373 178.112 175.900 -0.267 0.000 1.145 550 Y CA 1.382 59.255 58.100 -0.379 0.000 1.203 550 Y CB -0.888 37.417 38.460 -0.258 0.000 0.984 550 Y HN 0.202 nan 8.280 nan 0.000 0.533 551 L N -1.120 120.095 121.223 -0.014 0.000 2.056 551 L HA -0.223 4.117 4.340 -0.000 0.000 0.207 551 L C 2.223 179.050 176.870 -0.072 0.000 1.078 551 L CA 1.128 55.985 54.840 0.029 0.000 0.749 551 L CB -0.623 41.498 42.059 0.103 0.000 0.901 551 L HN 0.200 nan 8.230 nan 0.000 0.433 552 L N -0.425 120.711 121.223 -0.146 0.000 2.093 552 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 552 L C 2.651 179.367 176.870 -0.257 0.000 1.085 552 L CA 1.193 55.918 54.840 -0.191 0.000 0.755 552 L CB -0.465 41.509 42.059 -0.142 0.000 0.904 552 L HN 0.227 nan 8.230 nan 0.000 0.435 553 K N 0.499 120.660 120.400 -0.398 0.000 2.026 553 K HA -0.190 4.129 4.320 -0.000 0.000 0.208 553 K C 2.182 178.675 176.600 -0.177 0.000 1.048 553 K CA 1.369 57.444 56.287 -0.354 0.000 0.929 553 K CB -0.112 32.087 32.500 -0.502 0.000 0.713 553 K HN 0.251 nan 8.250 nan 0.000 0.439 554 A N 0.320 123.072 122.820 -0.113 0.000 1.908 554 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 554 A C 2.216 179.765 177.584 -0.058 0.000 1.181 554 A CA 2.199 54.206 52.037 -0.049 0.000 0.627 554 A CB -0.907 18.097 19.000 0.007 0.000 0.818 554 A HN 0.405 nan 8.150 nan 0.000 0.445 555 S N -0.628 115.022 115.700 -0.084 0.000 2.402 555 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 555 S C 2.048 176.572 174.600 -0.127 0.000 1.021 555 S CA 1.213 59.354 58.200 -0.098 0.000 0.974 555 S CB -0.567 62.562 63.200 -0.119 0.000 0.800 555 S HN 0.745 nan 8.310 nan 0.000 0.484 556 N N 0.253 118.868 118.700 -0.142 0.000 2.106 556 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 556 N C 1.459 176.891 175.510 -0.130 0.000 1.029 556 N CA 1.115 54.080 53.050 -0.141 0.000 0.848 556 N CB -0.097 38.311 38.487 -0.131 0.000 1.007 556 N HN 0.256 nan 8.380 nan 0.000 0.423 557 E N 1.136 121.267 120.200 -0.115 0.000 2.130 557 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 557 E C 1.922 178.478 176.600 -0.074 0.000 0.998 557 E CA 0.548 56.891 56.400 -0.095 0.000 0.806 557 E CB -0.453 29.213 29.700 -0.058 0.000 0.738 557 E HN 0.349 nan 8.360 nan 0.000 0.459 558 L N 0.306 121.490 121.223 -0.064 0.000 2.156 558 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 558 L C 2.074 178.896 176.870 -0.080 0.000 1.095 558 L CA 1.671 56.479 54.840 -0.055 0.000 0.770 558 L CB -0.621 41.411 42.059 -0.045 0.000 0.914 558 L HN 0.046 nan 8.230 nan 0.000 0.439 559 A N -0.733 122.023 122.820 -0.107 0.000 1.898 559 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 559 A C 2.277 179.812 177.584 -0.080 0.000 1.181 559 A CA 1.533 53.500 52.037 -0.117 0.000 0.620 559 A CB -0.410 18.479 19.000 -0.185 0.000 0.819 559 A HN 0.415 nan 8.150 nan 0.000 0.442 560 K N -0.437 119.911 120.400 -0.086 0.000 2.020 560 K HA -0.253 4.067 4.320 -0.000 0.000 0.212 560 K C 2.149 178.711 176.600 -0.063 0.000 1.050 560 K CA 1.876 58.112 56.287 -0.086 0.000 0.929 560 K CB -0.266 32.111 32.500 -0.204 0.000 0.714 560 K HN 0.738 nan 8.250 nan 0.000 0.443 561 E N 0.858 121.017 120.200 -0.067 0.000 2.031 561 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 561 E C 1.214 177.774 176.600 -0.067 0.000 0.994 561 E CA 1.379 57.743 56.400 -0.059 0.000 0.800 561 E CB 0.241 29.910 29.700 -0.051 0.000 0.752 561 E HN 0.357 nan 8.360 nan 0.000 0.447 562 Q N -0.699 119.056 119.800 -0.075 0.000 2.139 562 Q HA 0.303 4.642 4.340 -0.000 0.000 0.219 562 Q C -0.273 175.687 176.000 -0.067 0.000 0.805 562 Q CA 0.152 55.908 55.803 -0.079 0.000 1.024 562 Q CB 2.004 30.681 28.738 -0.102 0.000 1.163 562 Q HN 0.286 nan 8.270 nan 0.000 0.485 563 G N 1.468 110.231 108.800 -0.062 0.000 2.895 563 G HA2 0.033 3.993 3.960 -0.000 0.000 0.686 563 G HA3 0.033 3.993 3.960 -0.000 0.000 0.686 563 G C -0.310 174.542 174.900 -0.079 0.000 1.108 563 G CA -0.549 44.517 45.100 -0.058 0.000 0.761 563 G HN 0.385 nan 8.290 nan 0.000 0.611 564 A N 1.720 124.478 122.820 -0.104 0.000 2.448 564 A HA 0.593 4.913 4.320 -0.000 0.000 0.239 564 A C 1.697 179.252 177.584 -0.048 0.000 1.080 564 A CA 0.548 52.493 52.037 -0.153 0.000 0.779 564 A CB -0.264 18.561 19.000 -0.292 0.000 1.026 564 A HN 2.545 nan 8.150 nan 0.000 0.499 565 C N 0.535 119.829 119.300 -0.010 0.000 2.657 565 C HA 0.306 4.766 4.460 -0.000 0.000 0.420 565 C C -1.012 174.029 174.990 0.085 0.000 1.323 565 C CA -0.918 58.110 59.018 0.016 0.000 1.894 565 C CB -0.548 27.215 27.740 0.039 0.000 2.681 565 C HN 0.709 nan 8.230 nan 0.000 0.613 566 P HA -0.153 nan 4.420 nan 0.000 0.219 566 P C 0.691 178.189 177.300 0.330 0.000 1.158 566 P CA 2.023 65.168 63.100 0.075 0.000 0.895 566 P CB -0.106 31.508 31.700 -0.144 0.000 0.792 567 W N -1.982 119.386 121.300 0.113 0.000 3.213 567 W HA 0.321 4.981 4.660 -0.000 0.000 0.430 567 W C 1.314 177.929 176.519 0.160 0.000 0.975 567 W CA -1.362 56.053 57.345 0.117 0.000 2.015 567 W CB -1.875 27.640 29.460 0.092 0.000 1.047 567 W HN -0.053 nan 8.180 nan 0.000 0.797 568 F N 2.826 122.914 119.950 0.231 0.000 2.202 568 F HA -0.292 4.235 4.527 -0.000 0.000 0.301 568 F C 1.864 177.758 175.800 0.157 0.000 1.082 568 F CA 2.262 60.357 58.000 0.158 0.000 1.313 568 F CB -0.442 38.613 39.000 0.092 0.000 1.024 568 F HN 0.103 nan 8.300 nan 0.000 0.495 569 N N 0.092 118.846 118.700 0.091 0.000 2.348 569 N HA -0.231 4.509 4.740 -0.000 0.000 0.185 569 N C 1.066 176.543 175.510 -0.055 0.000 1.019 569 N CA 1.610 54.649 53.050 -0.017 0.000 0.880 569 N CB -0.793 37.737 38.487 0.072 0.000 0.965 569 N HN 0.538 nan 8.380 nan 0.000 0.437 570 E N 0.111 120.324 120.200 0.021 0.000 2.489 570 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 570 E C 0.228 176.870 176.600 0.070 0.000 1.057 570 E CA 0.442 56.876 56.400 0.055 0.000 0.866 570 E CB -0.046 29.720 29.700 0.110 0.000 0.916 570 E HN 0.542 nan 8.360 nan 0.000 0.500 571 T N -0.626 113.870 114.554 -0.098 0.000 2.899 571 T HA 0.105 4.455 4.350 -0.000 0.000 0.284 571 T C 1.498 176.078 174.700 -0.200 0.000 1.004 571 T CA -0.154 61.839 62.100 -0.178 0.000 1.043 571 T CB 1.588 70.291 68.868 -0.275 0.000 1.013 571 T HN 0.023 nan 8.240 nan 0.000 0.518 572 T N -1.152 113.289 114.554 -0.189 0.000 2.962 572 T HA -0.101 4.248 4.350 -0.000 0.000 0.270 572 T C 1.419 176.000 174.700 -0.199 0.000 1.088 572 T CA 0.665 62.652 62.100 -0.188 0.000 1.127 572 T CB -0.874 67.861 68.868 -0.222 0.000 0.883 572 T HN 0.637 nan 8.240 nan 0.000 0.493 573 Y N 2.244 122.438 120.300 -0.178 0.000 2.128 573 Y HA 0.059 4.609 4.550 -0.000 0.000 0.284 573 Y C 3.057 178.911 175.900 -0.075 0.000 1.154 573 Y CA 0.933 59.000 58.100 -0.055 0.000 1.149 573 Y CB -0.980 37.514 38.460 0.058 0.000 0.976 573 Y HN 0.330 nan 8.280 nan 0.000 0.505 574 A N -0.094 122.522 122.820 -0.341 0.000 1.978 574 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 574 A C 1.906 179.476 177.584 -0.024 0.000 1.170 574 A CA 1.657 53.503 52.037 -0.317 0.000 0.636 574 A CB -0.501 18.084 19.000 -0.693 0.000 0.810 574 A HN 0.410 nan 8.150 nan 0.000 0.448 575 K N -1.200 119.172 120.400 -0.046 0.000 2.469 575 K HA 0.257 4.577 4.320 -0.000 0.000 0.201 575 K C 0.869 177.483 176.600 0.023 0.000 1.028 575 K CA 0.392 56.675 56.287 -0.007 0.000 1.170 575 K CB -0.179 32.302 32.500 -0.032 0.000 0.874 575 K HN 0.622 nan 8.250 nan 0.000 0.507 576 G N 1.761 110.599 108.800 0.064 0.000 2.153 576 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 576 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 576 G C 0.111 175.040 174.900 0.049 0.000 0.994 576 G CA -0.125 45.026 45.100 0.085 0.000 0.698 576 G HN 0.293 nan 8.290 nan 0.000 0.521 577 I N 0.617 121.177 120.570 -0.016 0.000 2.365 577 I HA 0.508 4.678 4.170 -0.000 0.000 0.291 577 I C 0.746 176.769 176.117 -0.155 0.000 1.004 577 I CA -0.504 60.749 61.300 -0.078 0.000 1.311 577 I CB 1.144 39.074 38.000 -0.118 0.000 1.401 577 I HN -0.034 nan 8.210 nan 0.000 0.491 578 L N 7.370 128.540 121.223 -0.088 0.000 2.323 578 L HA 0.433 4.773 4.340 -0.000 0.000 0.265 578 L C -1.595 175.218 176.870 -0.096 0.000 1.012 578 L CA -1.632 53.164 54.840 -0.074 0.000 0.820 578 L CB 1.919 44.070 42.059 0.152 0.000 1.334 578 L HN 0.280 nan 8.230 nan 0.000 0.427 579 P HA -0.203 nan 4.420 nan 0.000 0.216 579 P C 1.569 178.859 177.300 -0.017 0.000 1.153 579 P CA 1.586 64.683 63.100 -0.005 0.000 0.858 579 P CB -0.118 31.599 31.700 0.030 0.000 0.789 580 I N -3.032 117.401 120.570 -0.227 0.000 2.800 580 I HA -0.150 4.019 4.170 -0.000 0.000 0.266 580 I C 0.760 176.884 176.117 0.011 0.000 1.249 580 I CA 1.773 62.946 61.300 -0.212 0.000 1.458 580 I CB -0.739 36.958 38.000 -0.505 0.000 1.093 580 I HN -0.139 nan 8.210 nan 0.000 0.466 581 D N 1.313 121.686 120.400 -0.044 0.000 2.338 581 D HA -0.023 4.617 4.640 -0.000 0.000 0.208 581 D C 1.955 178.150 176.300 -0.174 0.000 0.997 581 D CA 1.587 55.530 54.000 -0.095 0.000 0.880 581 D CB 0.270 41.029 40.800 -0.069 0.000 0.980 581 D HN 0.562 nan 8.370 nan 0.000 0.509 582 T N -1.670 112.820 114.554 -0.105 0.000 3.085 582 T HA 0.093 4.443 4.350 -0.000 0.000 0.264 582 T C 0.780 175.290 174.700 -0.317 0.000 1.019 582 T CA -0.709 61.316 62.100 -0.124 0.000 0.910 582 T CB -0.701 68.198 68.868 0.052 0.000 1.059 582 T HN 0.104 nan 8.240 nan 0.000 0.542 583 Y N 1.427 121.407 120.300 -0.533 0.000 2.459 583 Y HA 0.552 5.102 4.550 -0.000 0.000 0.349 583 Y C 0.448 176.005 175.900 -0.573 0.000 1.266 583 Y CA -1.875 55.645 58.100 -0.967 0.000 1.483 583 Y CB 0.445 38.482 38.460 -0.706 0.000 1.362 583 Y HN -0.131 nan 8.280 nan 0.000 0.628 584 K N 3.497 123.679 120.400 -0.363 0.000 2.402 584 K HA 0.019 4.339 4.320 -0.000 0.000 0.285 584 K C 1.059 177.592 176.600 -0.112 0.000 1.054 584 K CA -0.243 55.873 56.287 -0.285 0.000 1.001 584 K CB 0.537 32.827 32.500 -0.349 0.000 0.946 584 K HN 0.759 nan 8.250 nan 0.000 0.473 585 K N 3.521 123.785 120.400 -0.227 0.000 2.077 585 K HA -0.279 4.041 4.320 -0.000 0.000 0.213 585 K C 0.345 176.953 176.600 0.013 0.000 1.051 585 K CA 2.473 58.669 56.287 -0.151 0.000 0.929 585 K CB -0.808 31.591 32.500 -0.169 0.000 0.715 585 K HN 0.723 nan 8.250 nan 0.000 0.451 586 D N 1.218 121.620 120.400 0.004 0.000 2.271 586 D HA -0.096 4.543 4.640 -0.000 0.000 0.207 586 D C 1.974 178.402 176.300 0.213 0.000 0.983 586 D CA 1.176 55.213 54.000 0.062 0.000 0.878 586 D CB -0.168 40.594 40.800 -0.065 0.000 0.920 586 D HN 0.213 nan 8.370 nan 0.000 0.479 587 L N 0.603 121.963 121.223 0.228 0.000 2.127 587 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 587 L C 1.710 178.640 176.870 0.100 0.000 1.089 587 L CA 0.961 55.903 54.840 0.168 0.000 0.757 587 L CB -0.438 41.654 42.059 0.055 0.000 0.899 587 L HN 0.046 nan 8.230 nan 0.000 0.434 588 D N -0.219 120.258 120.400 0.129 0.000 2.133 588 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 588 D C 2.201 178.529 176.300 0.046 0.000 0.997 588 D CA 2.057 56.100 54.000 0.073 0.000 0.840 588 D CB -0.385 40.467 40.800 0.086 0.000 0.947 588 D HN 0.412 nan 8.370 nan 0.000 0.452 589 T N -1.074 113.527 114.554 0.077 0.000 3.098 589 T HA -0.066 4.283 4.350 -0.000 0.000 0.266 589 T C 1.625 176.364 174.700 0.066 0.000 1.145 589 T CA 0.454 62.599 62.100 0.075 0.000 1.092 589 T CB -0.572 68.360 68.868 0.108 0.000 0.908 589 T HN 0.445 nan 8.240 nan 0.000 0.526 590 I N -2.279 118.313 120.570 0.037 0.000 3.966 590 I HA 0.790 4.960 4.170 -0.000 0.000 0.324 590 I C 0.055 176.139 176.117 -0.055 0.000 1.517 590 I CA -1.173 60.111 61.300 -0.027 0.000 1.117 590 I CB 0.338 38.254 38.000 -0.140 0.000 1.190 590 I HN 0.215 nan 8.210 nan 0.000 0.466 591 A N 2.519 125.308 122.820 -0.052 0.000 2.521 591 A HA 0.351 4.671 4.320 -0.000 0.000 0.298 591 A C -0.086 177.417 177.584 -0.135 0.000 1.044 591 A CA -0.662 51.325 52.037 -0.083 0.000 0.911 591 A CB 0.475 19.433 19.000 -0.069 0.000 1.376 591 A HN 0.314 nan 8.150 nan 0.000 0.392 592 N N 1.492 120.118 118.700 -0.123 0.000 2.280 592 N HA 0.014 4.754 4.740 -0.000 0.000 0.192 592 N C 0.193 175.587 175.510 -0.193 0.000 1.109 592 N CA -0.036 52.934 53.050 -0.134 0.000 0.855 592 N CB 0.400 38.842 38.487 -0.074 0.000 0.974 592 N HN 0.714 nan 8.380 nan 0.000 0.482 593 E N 3.515 123.567 120.200 -0.246 0.000 2.652 593 E HA 0.043 4.392 4.350 -0.000 0.000 0.255 593 E C -2.186 174.189 176.600 -0.376 0.000 0.952 593 E CA -1.019 55.232 56.400 -0.247 0.000 0.947 593 E CB 0.567 30.162 29.700 -0.176 0.000 0.912 593 E HN 0.267 nan 8.360 nan 0.000 0.489 594 P HA 0.110 nan 4.420 nan 0.000 0.282 594 P C -0.577 176.472 177.300 -0.419 0.000 1.249 594 P CA -0.328 62.607 63.100 -0.276 0.000 0.806 594 P CB 0.644 32.230 31.700 -0.191 0.000 0.984 595 L N 3.478 124.598 121.223 -0.171 0.000 2.499 595 L HA 0.031 4.371 4.340 -0.000 0.000 0.273 595 L C 1.709 178.443 176.870 -0.226 0.000 1.195 595 L CA 0.054 54.866 54.840 -0.047 0.000 0.882 595 L CB -0.159 41.987 42.059 0.145 0.000 1.133 595 L HN 0.484 nan 8.230 nan 0.000 0.483 596 H N 2.315 121.398 119.070 0.022 0.000 2.586 596 H HA 0.182 4.738 4.556 -0.000 0.000 0.273 596 H C -0.585 174.384 175.328 -0.597 0.000 0.997 596 H CA 0.115 55.986 56.048 -0.295 0.000 1.177 596 H CB 0.231 29.722 29.762 -0.452 0.000 1.471 596 H HN 0.410 nan 8.280 nan 0.000 0.538 597 Y N 0.424 120.682 120.300 -0.070 0.000 2.509 597 Y HA 0.193 4.743 4.550 -0.000 0.000 0.341 597 Y C 0.443 176.188 175.900 -0.257 0.000 1.038 597 Y CA -1.290 56.533 58.100 -0.463 0.000 1.089 597 Y CB 1.281 38.990 38.460 -1.252 0.000 1.241 597 Y HN -0.127 nan 8.280 nan 0.000 0.468 598 D N 1.485 121.801 120.400 -0.140 0.000 2.435 598 D HA 0.022 4.662 4.640 -0.000 0.000 0.230 598 D C -0.126 176.261 176.300 0.145 0.000 1.215 598 D CA 0.133 54.171 54.000 0.064 0.000 0.947 598 D CB 0.076 40.926 40.800 0.083 0.000 1.048 598 D HN 0.544 nan 8.370 nan 0.000 0.512 599 W N 1.817 123.219 121.300 0.170 0.000 2.523 599 W HA -0.000 4.660 4.660 -0.000 0.000 0.278 599 W C 2.063 178.690 176.519 0.179 0.000 1.236 599 W CA -0.093 57.388 57.345 0.226 0.000 1.306 599 W CB 0.359 29.936 29.460 0.196 0.000 1.101 599 W HN 0.346 nan 8.180 nan 0.000 0.577 600 E N 0.242 120.644 120.200 0.336 0.000 2.072 600 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 600 E C 2.249 178.957 176.600 0.181 0.000 0.985 600 E CA 1.402 57.938 56.400 0.226 0.000 0.801 600 E CB -0.992 28.811 29.700 0.172 0.000 0.750 600 E HN 0.226 nan 8.360 nan 0.000 0.452 601 A N 1.771 124.688 122.820 0.163 0.000 1.851 601 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 601 A C 2.330 179.995 177.584 0.135 0.000 1.195 601 A CA 1.674 53.791 52.037 0.133 0.000 0.622 601 A CB -0.904 18.168 19.000 0.120 0.000 0.831 601 A HN 0.251 nan 8.150 nan 0.000 0.444 602 L N -0.108 121.201 121.223 0.143 0.000 2.043 602 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 602 L C 2.525 179.489 176.870 0.157 0.000 1.075 602 L CA 2.534 57.432 54.840 0.097 0.000 0.752 602 L CB -0.531 41.541 42.059 0.021 0.000 0.891 602 L HN 0.505 nan 8.230 nan 0.000 0.432 603 R N -0.661 119.969 120.500 0.217 0.000 2.094 603 R HA -0.199 4.141 4.340 -0.000 0.000 0.239 603 R C 2.143 178.549 176.300 0.176 0.000 1.137 603 R CA 1.899 58.132 56.100 0.223 0.000 0.943 603 R CB -0.277 30.154 30.300 0.217 0.000 0.850 603 R HN 0.423 nan 8.270 nan 0.000 0.433 604 E N 0.184 120.472 120.200 0.146 0.000 2.051 604 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 604 E C 1.991 178.669 176.600 0.130 0.000 0.991 604 E CA 1.207 57.679 56.400 0.120 0.000 0.799 604 E CB -0.509 29.252 29.700 0.102 0.000 0.748 604 E HN 0.246 nan 8.360 nan 0.000 0.449 605 S N 0.307 116.095 115.700 0.147 0.000 2.383 605 S HA -0.125 4.345 4.470 -0.000 0.000 0.229 605 S C 2.052 176.771 174.600 0.198 0.000 1.030 605 S CA 0.816 59.137 58.200 0.203 0.000 1.002 605 S CB -0.175 63.097 63.200 0.121 0.000 0.829 605 S HN 0.167 nan 8.310 nan 0.000 0.467 606 I N 0.766 121.427 120.570 0.151 0.000 2.163 606 I HA -0.154 4.016 4.170 -0.000 0.000 0.240 606 I C 2.692 178.926 176.117 0.195 0.000 1.081 606 I CA 1.123 62.519 61.300 0.159 0.000 1.353 606 I CB -0.345 37.806 38.000 0.252 0.000 1.054 606 I HN 0.206 nan 8.210 nan 0.000 0.407 607 K N 0.366 120.887 120.400 0.202 0.000 2.044 607 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 607 K C 2.121 178.776 176.600 0.092 0.000 1.049 607 K CA 2.235 58.630 56.287 0.179 0.000 0.927 607 K CB -0.263 32.314 32.500 0.128 0.000 0.713 607 K HN 0.345 nan 8.250 nan 0.000 0.443 608 T N 0.150 114.699 114.554 -0.009 0.000 2.564 608 T HA -0.119 4.231 4.350 -0.000 0.000 0.259 608 T C 1.621 176.124 174.700 -0.328 0.000 1.087 608 T CA 1.206 63.176 62.100 -0.217 0.000 1.184 608 T CB -0.340 68.279 68.868 -0.415 0.000 0.864 608 T HN 0.374 nan 8.240 nan 0.000 0.403 609 H N 0.664 119.714 119.070 -0.033 0.000 2.544 609 H HA 0.366 4.922 4.556 -0.000 0.000 0.269 609 H C 1.591 176.784 175.328 -0.225 0.000 0.970 609 H CA 0.520 56.511 56.048 -0.094 0.000 1.219 609 H CB -0.238 29.472 29.762 -0.088 0.000 1.421 609 H HN 0.571 nan 8.280 nan 0.000 0.555 610 G N 1.123 109.783 108.800 -0.234 0.000 2.741 610 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.222 610 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.222 610 G C -0.776 173.653 174.900 -0.785 0.000 1.364 610 G CA -0.424 44.128 45.100 -0.913 0.000 0.866 610 G HN 0.211 nan 8.290 nan 0.000 0.555 611 L N -0.058 120.440 121.223 -1.208 0.000 2.346 611 L HA 0.553 4.893 4.340 -0.000 0.000 0.276 611 L C 1.555 178.231 176.870 -0.323 0.000 1.006 611 L CA -0.894 53.653 54.840 -0.488 0.000 0.817 611 L CB 1.873 43.789 42.059 -0.238 0.000 1.272 611 L HN 0.762 nan 8.230 nan 0.000 0.421 612 R N 2.369 122.751 120.500 -0.195 0.000 2.083 612 R HA -0.085 4.255 4.340 -0.000 0.000 0.237 612 R C -0.090 176.170 176.300 -0.066 0.000 1.137 612 R CA 1.609 57.638 56.100 -0.119 0.000 0.951 612 R CB -0.138 30.107 30.300 -0.092 0.000 0.851 612 R HN 0.684 nan 8.270 nan 0.000 0.434 613 N N -1.065 117.600 118.700 -0.059 0.000 2.362 613 N HA 0.207 4.947 4.740 -0.000 0.000 0.298 613 N C -0.361 175.149 175.510 -0.001 0.000 1.048 613 N CA -0.266 52.772 53.050 -0.019 0.000 0.858 613 N CB 2.146 40.614 38.487 -0.033 0.000 1.218 613 N HN -0.107 nan 8.380 nan 0.000 0.488 614 S N -0.277 115.464 115.700 0.068 0.000 2.461 614 S HA -0.008 4.462 4.470 -0.000 0.000 0.228 614 S C 0.604 175.177 174.600 -0.046 0.000 1.005 614 S CA 0.633 58.873 58.200 0.066 0.000 0.942 614 S CB -0.100 63.233 63.200 0.221 0.000 0.776 614 S HN 0.825 nan 8.310 nan 0.000 0.514 615 T N -1.615 112.948 114.554 0.016 0.000 2.933 615 T HA 0.696 5.046 4.350 -0.000 0.000 0.305 615 T C -0.051 174.662 174.700 0.021 0.000 1.092 615 T CA -0.729 61.390 62.100 0.031 0.000 1.008 615 T CB 1.595 70.534 68.868 0.119 0.000 1.102 615 T HN -0.062 nan 8.240 nan 0.000 0.469 616 L N 1.501 122.740 121.223 0.027 0.000 2.902 616 L HA 0.382 4.722 4.340 -0.000 0.000 0.254 616 L C 0.818 177.717 176.870 0.049 0.000 1.115 616 L CA -0.019 54.837 54.840 0.026 0.000 0.947 616 L CB 0.775 42.841 42.059 0.012 0.000 1.369 616 L HN 0.926 nan 8.230 nan 0.000 0.538 617 S N -0.139 115.607 115.700 0.076 0.000 2.536 617 S HA 0.907 5.377 4.470 -0.000 0.000 0.298 617 S C -0.558 174.084 174.600 0.070 0.000 1.083 617 S CA -0.261 57.992 58.200 0.089 0.000 0.995 617 S CB 2.701 65.991 63.200 0.151 0.000 1.058 617 S HN 0.104 nan 8.310 nan 0.000 0.488 618 A N 2.437 125.289 122.820 0.054 0.000 2.530 618 A HA 0.547 4.867 4.320 -0.000 0.000 0.297 618 A C -1.216 176.382 177.584 0.023 0.000 1.059 618 A CA -0.772 51.283 52.037 0.030 0.000 0.782 618 A CB 0.711 19.718 19.000 0.011 0.000 1.301 618 A HN 0.891 nan 8.150 nan 0.000 0.394 619 L N 3.930 125.162 121.223 0.014 0.000 2.288 619 L HA 0.377 4.717 4.340 -0.000 0.000 0.283 619 L C -0.092 176.767 176.870 -0.019 0.000 1.072 619 L CA -0.236 54.612 54.840 0.013 0.000 0.862 619 L CB 0.449 42.511 42.059 0.006 0.000 1.245 619 L HN 0.638 nan 8.230 nan 0.000 0.432 620 M N 3.949 123.539 119.600 -0.017 0.000 2.359 620 M HA 0.487 4.967 4.480 -0.000 0.000 0.322 620 M C -2.067 174.236 176.300 0.005 0.000 1.166 620 M CA -1.763 53.513 55.300 -0.039 0.000 1.067 620 M CB 1.238 33.822 32.600 -0.027 0.000 1.523 620 M HN 0.187 nan 8.290 nan 0.000 0.467 621 P HA 0.326 nan 4.420 nan 0.000 0.277 621 P C -1.109 176.235 177.300 0.073 0.000 1.271 621 P CA -0.405 62.739 63.100 0.073 0.000 0.795 621 P CB 0.641 32.407 31.700 0.110 0.000 1.101 622 S N -2.553 113.204 115.700 0.095 0.000 2.666 622 S HA 0.130 4.600 4.470 -0.000 0.000 0.165 622 S C 0.548 175.204 174.600 0.092 0.000 0.865 622 S CA -0.586 57.668 58.200 0.089 0.000 1.038 622 S CB 0.015 63.265 63.200 0.082 0.000 1.507 622 S HN 0.432 nan 8.310 nan 0.000 0.422 623 E N 2.943 123.198 120.200 0.092 0.000 2.038 623 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 623 E C 1.650 178.285 176.600 0.058 0.000 1.000 623 E CA 2.688 59.134 56.400 0.076 0.000 0.803 623 E CB -0.379 29.367 29.700 0.077 0.000 0.750 623 E HN 0.742 nan 8.360 nan 0.000 0.448 624 T N -0.090 114.504 114.554 0.067 0.000 2.668 624 T HA -0.165 4.185 4.350 -0.000 0.000 0.262 624 T C 2.094 176.825 174.700 0.051 0.000 1.045 624 T CA 1.772 63.903 62.100 0.052 0.000 1.152 624 T CB -0.676 68.252 68.868 0.100 0.000 0.864 624 T HN 0.328 nan 8.240 nan 0.000 0.419 625 S N 2.234 118.003 115.700 0.115 0.000 2.370 625 S HA -0.142 4.328 4.470 -0.000 0.000 0.226 625 S C 2.340 176.989 174.600 0.081 0.000 1.033 625 S CA 1.394 59.677 58.200 0.138 0.000 1.011 625 S CB -0.840 62.459 63.200 0.167 0.000 0.852 625 S HN 0.385 nan 8.310 nan 0.000 0.457 626 S N 2.052 117.793 115.700 0.069 0.000 2.370 626 S HA -0.165 4.305 4.470 -0.000 0.000 0.226 626 S C 2.134 176.738 174.600 0.007 0.000 1.033 626 S CA 1.313 59.545 58.200 0.053 0.000 1.011 626 S CB -0.510 62.735 63.200 0.074 0.000 0.852 626 S HN 0.565 nan 8.310 nan 0.000 0.457 627 Q N 0.380 120.175 119.800 -0.007 0.000 2.077 627 Q HA -0.118 4.222 4.340 -0.000 0.000 0.206 627 Q C 2.209 178.162 176.000 -0.079 0.000 0.989 627 Q CA 1.217 56.993 55.803 -0.045 0.000 0.853 627 Q CB -0.399 28.305 28.738 -0.057 0.000 0.907 627 Q HN 0.498 nan 8.270 nan 0.000 0.418 628 I N 0.585 121.104 120.570 -0.085 0.000 2.208 628 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 628 I C 1.761 177.785 176.117 -0.155 0.000 1.097 628 I CA 1.303 62.562 61.300 -0.068 0.000 1.363 628 I CB -0.699 37.296 38.000 -0.009 0.000 1.051 628 I HN 0.088 nan 8.210 nan 0.000 0.413 629 S N 0.522 116.076 115.700 -0.243 0.000 2.593 629 S HA 0.004 4.474 4.470 -0.000 0.000 0.217 629 S C 0.616 175.006 174.600 -0.349 0.000 0.966 629 S CA -0.125 57.747 58.200 -0.548 0.000 0.914 629 S CB -0.518 62.557 63.200 -0.208 0.000 0.776 629 S HN 0.521 nan 8.310 nan 0.000 0.523 630 N N 1.582 120.173 118.700 -0.182 0.000 2.641 630 N HA -0.196 4.544 4.740 -0.000 0.000 0.267 630 N C -0.625 174.838 175.510 -0.078 0.000 1.087 630 N CA 0.788 53.783 53.050 -0.091 0.000 0.731 630 N CB -1.317 37.144 38.487 -0.045 0.000 0.886 630 N HN 0.588 nan 8.380 nan 0.000 0.547 631 A N 0.765 123.567 122.820 -0.030 0.000 2.454 631 A HA 0.758 5.078 4.320 -0.000 0.000 0.302 631 A C 0.401 178.039 177.584 0.089 0.000 1.079 631 A CA -0.094 51.959 52.037 0.027 0.000 0.731 631 A CB 0.811 19.844 19.000 0.055 0.000 1.299 631 A HN 0.754 nan 8.150 nan 0.000 0.413 632 T N -0.185 114.470 114.554 0.169 0.000 2.900 632 T HA 0.256 4.606 4.350 -0.000 0.000 0.307 632 T C 0.049 174.864 174.700 0.192 0.000 1.065 632 T CA -0.180 62.038 62.100 0.198 0.000 1.105 632 T CB -0.327 68.725 68.868 0.306 0.000 0.979 632 T HN 0.583 nan 8.240 nan 0.000 0.544 633 N N 1.648 120.448 118.700 0.165 0.000 2.442 633 N HA 0.459 5.199 4.740 -0.000 0.000 0.265 633 N C 1.422 177.052 175.510 0.200 0.000 1.138 633 N CA 0.038 53.182 53.050 0.157 0.000 0.956 633 N CB 0.618 39.180 38.487 0.124 0.000 1.067 633 N HN 1.038 nan 8.380 nan 0.000 0.474 634 G N 2.727 111.639 108.800 0.186 0.000 2.698 634 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.346 634 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.346 634 G C 0.762 175.828 174.900 0.278 0.000 1.287 634 G CA 1.116 46.331 45.100 0.192 0.000 0.990 634 G HN 0.770 nan 8.290 nan 0.000 0.545 635 I N -1.453 119.278 120.570 0.268 0.000 3.956 635 I HA 0.441 4.610 4.170 -0.000 0.000 0.333 635 I C 0.093 176.575 176.117 0.609 0.000 1.302 635 I CA -0.035 61.500 61.300 0.391 0.000 1.122 635 I CB 0.303 38.346 38.000 0.072 0.000 1.013 635 I HN 0.056 nan 8.210 nan 0.000 0.405 636 E N 4.414 124.861 120.200 0.412 0.000 2.313 636 E HA 0.298 4.648 4.350 -0.000 0.000 0.276 636 E C -2.263 174.458 176.600 0.202 0.000 1.031 636 E CA -2.392 54.177 56.400 0.282 0.000 0.857 636 E CB 0.240 30.021 29.700 0.136 0.000 1.040 636 E HN 0.128 nan 8.360 nan 0.000 0.408 637 P HA 0.084 nan 4.420 nan 0.000 0.265 637 P C -2.407 174.816 177.300 -0.129 0.000 1.193 637 P CA -1.069 61.915 63.100 -0.193 0.000 0.765 637 P CB -0.389 30.924 31.700 -0.646 0.000 0.823 638 P HA 0.166 nan 4.420 nan 0.000 0.269 638 P C 1.011 178.194 177.300 -0.194 0.000 1.209 638 P CA -0.055 62.981 63.100 -0.106 0.000 0.776 638 P CB 0.875 32.498 31.700 -0.130 0.000 0.876 639 R N 0.967 121.366 120.500 -0.168 0.000 2.075 639 R HA 0.100 4.440 4.340 -0.000 0.000 0.232 639 R C 1.173 177.397 176.300 -0.128 0.000 1.126 639 R CA 1.681 57.685 56.100 -0.159 0.000 0.963 639 R CB -0.251 30.016 30.300 -0.055 0.000 0.858 639 R HN 0.753 nan 8.270 nan 0.000 0.435 640 G N -3.291 105.418 108.800 -0.152 0.000 2.687 640 G HA2 0.214 4.174 3.960 -0.000 0.000 0.291 640 G HA3 0.214 4.174 3.960 -0.000 0.000 0.291 640 G C -0.798 173.957 174.900 -0.241 0.000 1.420 640 G CA -0.677 44.293 45.100 -0.217 0.000 0.796 640 G HN 0.059 nan 8.290 nan 0.000 0.485 641 Y N -0.861 119.415 120.300 -0.040 0.000 2.373 641 Y HA 0.218 4.768 4.550 -0.000 0.000 0.293 641 Y C 1.351 177.168 175.900 -0.138 0.000 1.129 641 Y CA 0.432 58.480 58.100 -0.086 0.000 1.226 641 Y CB 0.110 38.550 38.460 -0.034 0.000 1.000 641 Y HN 0.097 nan 8.280 nan 0.000 0.549 642 V N 0.549 120.475 119.914 0.020 0.000 2.487 642 V HA 0.372 4.492 4.120 -0.000 0.000 0.298 642 V C -0.247 175.835 176.094 -0.020 0.000 1.028 642 V CA -1.138 61.146 62.300 -0.027 0.000 0.860 642 V CB 1.597 33.389 31.823 -0.052 0.000 0.991 642 V HN 0.126 nan 8.190 nan 0.000 0.427 643 S N 5.889 121.577 115.700 -0.020 0.000 2.509 643 S HA 0.825 5.295 4.470 -0.000 0.000 0.297 643 S C -0.852 173.743 174.600 -0.008 0.000 1.118 643 S CA -0.537 57.656 58.200 -0.013 0.000 1.074 643 S CB 1.347 64.540 63.200 -0.013 0.000 1.038 643 S HN 0.478 nan 8.310 nan 0.000 0.498 644 I N 2.259 122.827 120.570 -0.003 0.000 2.474 644 I HA 0.582 4.752 4.170 -0.000 0.000 0.294 644 I C -0.280 175.839 176.117 0.002 0.000 1.005 644 I CA -0.511 60.789 61.300 0.000 0.000 1.113 644 I CB 2.150 40.150 38.000 0.001 0.000 1.289 644 I HN 0.641 nan 8.210 nan 0.000 0.436 645 K N 4.104 124.506 120.400 0.003 0.000 2.375 645 K HA 0.861 5.181 4.320 -0.000 0.000 0.249 645 K C -1.148 175.455 176.600 0.005 0.000 0.942 645 K CA -0.486 55.802 56.287 0.001 0.000 0.806 645 K CB 2.038 34.532 32.500 -0.009 0.000 1.227 645 K HN 0.611 nan 8.250 nan 0.000 0.430 646 A N 1.366 124.189 122.820 0.005 0.000 2.295 646 A HA 0.734 5.054 4.320 -0.000 0.000 0.318 646 A C -0.535 177.053 177.584 0.006 0.000 1.134 646 A CA -0.166 51.876 52.037 0.008 0.000 0.827 646 A CB 1.009 20.014 19.000 0.008 0.000 1.136 646 A HN 0.662 nan 8.150 nan 0.000 0.493 647 S N -0.410 115.297 115.700 0.011 0.000 2.688 647 S HA 0.496 4.966 4.470 -0.000 0.000 0.275 647 S C -0.029 174.581 174.600 0.017 0.000 1.175 647 S CA -0.312 57.893 58.200 0.010 0.000 0.818 647 S CB 0.920 64.124 63.200 0.007 0.000 1.157 647 S HN 0.553 nan 8.310 nan 0.000 0.482 648 K N 0.737 121.148 120.400 0.018 0.000 2.314 648 K HA 0.308 4.627 4.320 -0.000 0.000 0.198 648 K C 0.408 177.027 176.600 0.032 0.000 1.045 648 K CA 0.691 56.991 56.287 0.022 0.000 0.988 648 K CB -0.009 32.502 32.500 0.019 0.000 0.783 648 K HN 0.423 nan 8.250 nan 0.000 0.484 649 D N 0.782 121.207 120.400 0.041 0.000 2.325 649 D HA 0.154 4.794 4.640 -0.000 0.000 0.225 649 D C 0.662 177.007 176.300 0.074 0.000 1.096 649 D CA 0.662 54.700 54.000 0.064 0.000 0.844 649 D CB 0.445 41.295 40.800 0.083 0.000 0.925 649 D HN 0.292 nan 8.370 nan 0.000 0.513 650 G N 0.905 109.738 108.800 0.054 0.000 2.422 650 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.607 650 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.607 650 G C -0.712 174.217 174.900 0.049 0.000 1.270 650 G CA -1.006 44.122 45.100 0.047 0.000 0.992 650 G HN 0.137 nan 8.290 nan 0.000 0.499 651 I N 1.092 121.686 120.570 0.039 0.000 2.471 651 I HA 0.297 4.467 4.170 -0.000 0.000 0.286 651 I C 0.550 176.706 176.117 0.065 0.000 1.079 651 I CA -0.163 61.157 61.300 0.035 0.000 1.398 651 I CB 0.556 38.564 38.000 0.013 0.000 1.403 651 I HN 0.302 nan 8.210 nan 0.000 0.530 652 L N 7.569 128.828 121.223 0.060 0.000 2.257 652 L HA 0.518 4.858 4.340 -0.000 0.000 0.290 652 L C 0.106 177.006 176.870 0.049 0.000 1.044 652 L CA -0.508 54.383 54.840 0.085 0.000 0.810 652 L CB 0.564 42.633 42.059 0.017 0.000 1.193 652 L HN 0.578 nan 8.230 nan 0.000 0.425 653 R N 2.575 123.113 120.500 0.063 0.000 2.664 653 R HA 0.554 4.894 4.340 -0.000 0.000 0.286 653 R C -0.846 175.462 176.300 0.014 0.000 0.967 653 R CA -0.694 55.417 56.100 0.020 0.000 0.933 653 R CB 2.412 32.711 30.300 -0.002 0.000 1.146 653 R HN 0.550 nan 8.270 nan 0.000 0.468 654 Q N 1.898 121.691 119.800 -0.012 0.000 2.263 654 Q HA 0.304 4.644 4.340 -0.000 0.000 0.266 654 Q C -1.543 174.438 176.000 -0.032 0.000 1.002 654 Q CA -0.648 55.140 55.803 -0.025 0.000 0.790 654 Q CB 2.210 30.932 28.738 -0.026 0.000 1.272 654 Q HN 0.384 nan 8.270 nan 0.000 0.435 655 V N 3.897 123.788 119.914 -0.039 0.000 2.465 655 V HA 0.253 4.373 4.120 -0.000 0.000 0.279 655 V C 0.607 176.716 176.094 0.025 0.000 1.045 655 V CA -0.764 61.517 62.300 -0.032 0.000 0.938 655 V CB 0.936 32.724 31.823 -0.058 0.000 0.986 655 V HN 0.684 nan 8.190 nan 0.000 0.467 656 V N 3.431 123.370 119.914 0.043 0.000 2.843 656 V HA 0.132 4.252 4.120 -0.000 0.000 0.305 656 V C -2.139 174.077 176.094 0.203 0.000 1.120 656 V CA -1.220 61.121 62.300 0.068 0.000 1.254 656 V CB -0.728 31.016 31.823 -0.132 0.000 0.901 656 V HN 0.770 nan 8.190 nan 0.000 0.503 657 P HA 0.061 nan 4.420 nan 0.000 0.261 657 P C 0.208 177.720 177.300 0.354 0.000 1.173 657 P CA 0.926 64.072 63.100 0.076 0.000 0.760 657 P CB 0.014 31.410 31.700 -0.508 0.000 0.783 658 D N 1.843 122.442 120.400 0.331 0.000 2.689 658 D HA -0.275 4.365 4.640 -0.000 0.000 0.237 658 D C 0.396 176.965 176.300 0.449 0.000 1.148 658 D CA 0.605 54.853 54.000 0.413 0.000 0.656 658 D CB -1.472 39.612 40.800 0.474 0.000 1.050 658 D HN 0.467 nan 8.370 nan 0.000 0.426 659 Y N 0.519 121.005 120.300 0.310 0.000 2.128 659 Y HA -0.229 4.320 4.550 -0.000 0.000 0.284 659 Y C 2.223 178.247 175.900 0.207 0.000 1.154 659 Y CA 2.713 60.974 58.100 0.268 0.000 1.149 659 Y CB -0.283 38.247 38.460 0.117 0.000 0.976 659 Y HN 0.328 nan 8.280 nan 0.000 0.505 660 E N -0.664 119.614 120.200 0.131 0.000 2.113 660 E HA -0.363 3.987 4.350 -0.000 0.000 0.210 660 E C 1.603 178.047 176.600 -0.259 0.000 1.040 660 E CA 2.572 58.896 56.400 -0.128 0.000 0.847 660 E CB -0.357 29.191 29.700 -0.254 0.000 0.755 660 E HN 0.788 nan 8.360 nan 0.000 0.459 661 H N -1.719 117.377 119.070 0.043 0.000 2.595 661 H HA 0.237 4.793 4.556 -0.000 0.000 0.265 661 H C 0.922 176.169 175.328 -0.135 0.000 0.953 661 H CA 0.617 56.642 56.048 -0.039 0.000 1.197 661 H CB 0.502 30.247 29.762 -0.028 0.000 1.438 661 H HN 0.117 nan 8.280 nan 0.000 0.531 662 L N 1.509 122.746 121.223 0.024 0.000 2.857 662 L HA 0.082 4.422 4.340 -0.000 0.000 0.249 662 L C 1.710 178.570 176.870 -0.018 0.000 1.172 662 L CA -0.165 54.635 54.840 -0.067 0.000 0.980 662 L CB -0.025 41.985 42.059 -0.083 0.000 1.299 662 L HN 0.468 nan 8.230 nan 0.000 0.535 663 H N -0.808 118.157 119.070 -0.175 0.000 2.353 663 H HA -0.174 4.381 4.556 -0.000 0.000 0.298 663 H C 0.647 176.038 175.328 0.106 0.000 1.103 663 H CA 1.686 57.593 56.048 -0.235 0.000 1.293 663 H CB -0.303 28.858 29.762 -1.001 0.000 1.372 663 H HN 0.328 nan 8.280 nan 0.000 0.501 664 D N 1.151 121.347 120.400 -0.340 0.000 2.277 664 D HA 0.077 4.717 4.640 -0.000 0.000 0.208 664 D C 2.254 178.547 176.300 -0.012 0.000 0.962 664 D CA 1.036 54.978 54.000 -0.097 0.000 0.865 664 D CB -0.098 40.583 40.800 -0.198 0.000 0.939 664 D HN 0.556 nan 8.370 nan 0.000 0.510 665 A N 0.125 122.907 122.820 -0.063 0.000 1.970 665 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 665 A C 0.699 178.274 177.584 -0.014 0.000 1.170 665 A CA 0.398 52.382 52.037 -0.090 0.000 0.645 665 A CB -0.500 18.370 19.000 -0.215 0.000 0.816 665 A HN 0.088 nan 8.150 nan 0.000 0.447 666 Y N 0.271 120.645 120.300 0.125 0.000 2.457 666 Y HA 0.272 4.822 4.550 0.000 0.000 0.341 666 Y C 0.747 176.731 175.900 0.142 0.000 1.240 666 Y CA 0.489 58.694 58.100 0.174 0.000 1.437 666 Y CB 0.408 39.039 38.460 0.284 0.000 1.328 666 Y HN 0.417 nan 8.280 nan 0.000 0.588 667 E N 3.608 124.002 120.200 0.323 0.000 2.141 667 E HA 0.371 4.721 4.350 -0.000 0.000 0.259 667 E C -1.453 175.201 176.600 0.090 0.000 0.883 667 E CA -0.449 56.067 56.400 0.192 0.000 0.744 667 E CB 0.352 30.171 29.700 0.199 0.000 1.150 667 E HN 0.609 nan 8.360 nan 0.000 0.420 668 L N 4.248 125.472 121.223 0.000 0.000 2.473 668 L HA 0.051 4.390 4.340 -0.000 0.000 0.268 668 L C 1.650 178.405 176.870 -0.191 0.000 1.215 668 L CA -0.339 54.421 54.840 -0.133 0.000 0.823 668 L CB 0.270 42.204 42.059 -0.209 0.000 1.099 668 L HN 0.743 nan 8.230 nan 0.000 0.483 669 L N 1.363 122.380 121.223 -0.343 0.000 2.021 669 L HA -0.203 4.137 4.340 -0.000 0.000 0.215 669 L C 1.603 178.139 176.870 -0.558 0.000 1.074 669 L CA 2.050 56.539 54.840 -0.585 0.000 0.760 669 L CB -0.390 41.147 42.059 -0.870 0.000 0.889 669 L HN 0.554 nan 8.230 nan 0.000 0.433 670 W N -0.139 121.111 121.300 -0.084 0.000 3.292 670 W HA 0.108 4.769 4.660 0.001 0.000 0.263 670 W C 1.913 178.414 176.519 -0.031 0.000 1.318 670 W CA 0.035 57.348 57.345 -0.052 0.000 1.663 670 W CB -0.109 29.330 29.460 -0.035 0.000 1.114 670 W HN 0.259 nan 8.180 nan 0.000 0.706 671 E N 0.307 120.568 120.200 0.102 0.000 2.385 671 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 671 E C 0.817 177.459 176.600 0.070 0.000 1.013 671 E CA 0.281 56.735 56.400 0.090 0.000 0.866 671 E CB -0.092 29.650 29.700 0.071 0.000 0.832 671 E HN 0.273 nan 8.360 nan 0.000 0.500 672 M N 2.452 122.069 119.600 0.029 0.000 2.246 672 M HA 0.031 4.510 4.480 -0.000 0.000 0.350 672 M C -1.724 174.615 176.300 0.065 0.000 1.406 672 M CA -1.263 54.055 55.300 0.030 0.000 1.089 672 M CB 0.311 32.888 32.600 -0.038 0.000 1.782 672 M HN -0.185 nan 8.290 nan 0.000 0.457 673 P HA 0.020 nan 4.420 nan 0.000 0.223 673 P C 0.439 177.785 177.300 0.077 0.000 1.151 673 P CA 0.682 63.820 63.100 0.063 0.000 0.787 673 P CB 0.324 32.055 31.700 0.052 0.000 0.788 674 G N -1.560 107.292 108.800 0.085 0.000 2.490 674 G HA2 0.096 4.056 3.960 -0.000 0.000 0.308 674 G HA3 0.096 4.056 3.960 -0.000 0.000 0.308 674 G C -0.403 174.537 174.900 0.066 0.000 1.286 674 G CA -0.423 44.741 45.100 0.106 0.000 0.825 674 G HN -0.197 nan 8.290 nan 0.000 0.479 675 N N 0.199 118.946 118.700 0.080 0.000 2.299 675 N HA 0.044 4.784 4.740 -0.000 0.000 0.187 675 N C 0.867 176.483 175.510 0.178 0.000 1.099 675 N CA 0.239 53.339 53.050 0.083 0.000 0.867 675 N CB 0.650 39.163 38.487 0.043 0.000 0.974 675 N HN 0.490 nan 8.380 nan 0.000 0.477 676 D N 1.304 121.806 120.400 0.171 0.000 2.092 676 D HA -0.130 4.510 4.640 -0.000 0.000 0.193 676 D C 1.975 178.362 176.300 0.145 0.000 0.994 676 D CA 1.339 55.444 54.000 0.174 0.000 0.828 676 D CB -0.243 40.654 40.800 0.161 0.000 0.963 676 D HN 0.238 nan 8.370 nan 0.000 0.450 677 G N 0.518 109.403 108.800 0.143 0.000 2.586 677 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.218 677 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.218 677 G C 1.571 176.588 174.900 0.194 0.000 1.216 677 G CA 1.286 46.471 45.100 0.142 0.000 0.786 677 G HN 0.338 nan 8.290 nan 0.000 0.583 678 Y N 1.286 121.666 120.300 0.133 0.000 2.097 678 Y HA -0.108 4.442 4.550 0.000 0.000 0.282 678 Y C 2.708 178.665 175.900 0.096 0.000 1.152 678 Y CA 1.810 60.016 58.100 0.177 0.000 1.136 678 Y CB -0.359 38.188 38.460 0.146 0.000 0.975 678 Y HN 0.133 nan 8.280 nan 0.000 0.498 679 L N 0.180 121.542 121.223 0.232 0.000 2.043 679 L HA -0.315 4.025 4.340 -0.000 0.000 0.212 679 L C 2.627 179.452 176.870 -0.075 0.000 1.075 679 L CA 1.760 56.652 54.840 0.087 0.000 0.752 679 L CB -0.793 41.398 42.059 0.221 0.000 0.891 679 L HN 0.369 nan 8.230 nan 0.000 0.432 680 Q N -0.119 119.595 119.800 -0.143 0.000 2.030 680 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 680 Q C 2.429 178.264 176.000 -0.275 0.000 0.986 680 Q CA 1.523 57.091 55.803 -0.391 0.000 0.843 680 Q CB -0.214 28.292 28.738 -0.386 0.000 0.904 680 Q HN 0.525 nan 8.270 nan 0.000 0.420 681 L N 0.004 121.120 121.223 -0.178 0.000 2.042 681 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 681 L C 2.420 179.103 176.870 -0.312 0.000 1.076 681 L CA 0.982 55.716 54.840 -0.177 0.000 0.749 681 L CB -0.655 41.369 42.059 -0.059 0.000 0.893 681 L HN 0.156 nan 8.230 nan 0.000 0.432 682 V N 0.316 119.999 119.914 -0.384 0.000 2.287 682 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 682 V C 2.692 178.627 176.094 -0.266 0.000 1.053 682 V CA 2.078 64.146 62.300 -0.386 0.000 1.027 682 V CB -1.373 30.229 31.823 -0.369 0.000 0.646 682 V HN 0.584 nan 8.190 nan 0.000 0.447 683 G N -0.023 108.663 108.800 -0.189 0.000 2.476 683 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 683 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 683 G C 1.571 176.367 174.900 -0.173 0.000 1.164 683 G CA 1.365 46.388 45.100 -0.129 0.000 0.768 683 G HN 0.503 nan 8.290 nan 0.000 0.560 684 I N 0.467 120.916 120.570 -0.200 0.000 2.179 684 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 684 I C 2.972 178.979 176.117 -0.183 0.000 1.088 684 I CA 1.238 62.446 61.300 -0.154 0.000 1.357 684 I CB -0.233 37.722 38.000 -0.074 0.000 1.051 684 I HN 0.201 nan 8.210 nan 0.000 0.409 685 M N -0.271 119.105 119.600 -0.374 0.000 2.108 685 M HA -0.253 4.227 4.480 -0.000 0.000 0.261 685 M C 2.338 178.497 176.300 -0.235 0.000 1.066 685 M CA 1.654 56.590 55.300 -0.607 0.000 1.107 685 M CB -0.514 31.404 32.600 -1.137 0.000 1.356 685 M HN 0.120 nan 8.290 nan 0.000 0.406 686 Q N 1.150 120.834 119.800 -0.193 0.000 2.291 686 Q HA -0.158 4.182 4.340 -0.000 0.000 0.206 686 Q C 1.743 177.753 176.000 0.016 0.000 0.976 686 Q CA 1.607 57.370 55.803 -0.067 0.000 0.875 686 Q CB -0.247 28.459 28.738 -0.053 0.000 0.927 686 Q HN 0.427 nan 8.270 nan 0.000 0.450 687 K N -1.005 119.300 120.400 -0.157 0.000 2.044 687 K HA -0.175 4.145 4.320 -0.000 0.000 0.210 687 K C 1.095 177.459 176.600 -0.392 0.000 1.049 687 K CA 1.829 57.874 56.287 -0.403 0.000 0.927 687 K CB -0.189 31.722 32.500 -0.981 0.000 0.713 687 K HN 0.286 nan 8.250 nan 0.000 0.443 688 F N 0.483 120.439 119.950 0.010 0.000 2.698 688 F HA 0.192 4.719 4.527 -0.000 0.000 0.295 688 F C 0.562 176.428 175.800 0.110 0.000 1.124 688 F CA -0.381 57.665 58.000 0.076 0.000 1.426 688 F CB 0.225 39.299 39.000 0.122 0.000 1.120 688 F HN -0.108 nan 8.300 nan 0.000 0.583 689 I N 1.369 122.059 120.570 0.199 0.000 2.441 689 I HA -0.016 4.154 4.170 -0.000 0.000 0.287 689 I C 1.038 177.182 176.117 0.045 0.000 1.049 689 I CA -0.075 61.311 61.300 0.143 0.000 1.381 689 I CB 0.489 38.542 38.000 0.087 0.000 1.409 689 I HN 0.105 nan 8.210 nan 0.000 0.523 690 D N 4.058 124.504 120.400 0.076 0.000 2.117 690 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 690 D C 1.323 177.628 176.300 0.008 0.000 0.987 690 D CA 1.424 55.448 54.000 0.039 0.000 0.829 690 D CB 0.545 41.401 40.800 0.093 0.000 0.961 690 D HN 0.605 nan 8.370 nan 0.000 0.460 691 Q N -0.168 119.652 119.800 0.033 0.000 3.076 691 Q HA 0.337 4.677 4.340 -0.000 0.000 0.212 691 Q C 0.448 176.453 176.000 0.007 0.000 1.168 691 Q CA -0.349 55.474 55.803 0.032 0.000 0.333 691 Q CB 0.306 29.067 28.738 0.038 0.000 5.777 691 Q HN -0.082 nan 8.270 nan 0.000 0.315 692 S N -1.087 114.613 115.700 0.001 0.000 2.810 692 S HA 0.681 5.151 4.470 -0.000 0.000 0.315 692 S C -1.345 173.238 174.600 -0.028 0.000 1.138 692 S CA -0.686 57.508 58.200 -0.009 0.000 0.889 692 S CB 0.886 64.082 63.200 -0.007 0.000 1.236 692 S HN 0.324 nan 8.310 nan 0.000 0.548 693 I N 1.205 121.752 120.570 -0.038 0.000 2.582 693 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 693 I C -0.326 175.758 176.117 -0.055 0.000 1.066 693 I CA -0.283 60.984 61.300 -0.054 0.000 1.053 693 I CB 2.303 40.254 38.000 -0.082 0.000 1.241 693 I HN 0.401 nan 8.210 nan 0.000 0.421 694 S N 5.000 120.651 115.700 -0.082 0.000 3.455 694 S HA 0.421 4.891 4.470 -0.000 0.000 0.288 694 S C 0.202 174.851 174.600 0.081 0.000 1.231 694 S CA -0.463 57.661 58.200 -0.126 0.000 1.031 694 S CB -0.374 62.687 63.200 -0.232 0.000 1.570 694 S HN 0.593 nan 8.310 nan 0.000 0.519 695 A N 4.092 126.997 122.820 0.142 0.000 2.306 695 A HA 0.522 4.842 4.320 -0.000 0.000 0.314 695 A C 0.286 178.065 177.584 0.325 0.000 1.164 695 A CA -0.792 51.411 52.037 0.277 0.000 0.822 695 A CB 0.568 19.696 19.000 0.214 0.000 1.130 695 A HN 0.693 nan 8.150 nan 0.000 0.496 696 N N 0.120 119.026 118.700 0.344 0.000 2.430 696 N HA 0.561 5.301 4.740 -0.000 0.000 0.298 696 N C -0.650 174.909 175.510 0.082 0.000 1.130 696 N CA -0.253 52.902 53.050 0.176 0.000 0.894 696 N CB 1.892 40.413 38.487 0.056 0.000 1.209 696 N HN 0.755 nan 8.380 nan 0.000 0.503 697 T N -0.852 113.745 114.554 0.072 0.000 2.823 697 T HA 0.528 4.878 4.350 -0.000 0.000 0.279 697 T C -0.719 173.875 174.700 -0.177 0.000 0.998 697 T CA -0.953 61.126 62.100 -0.035 0.000 0.994 697 T CB 0.845 69.793 68.868 0.132 0.000 0.960 697 T HN 0.402 nan 8.240 nan 0.000 0.448 698 N N 1.302 119.746 118.700 -0.426 0.000 2.258 698 N HA 0.599 5.339 4.740 -0.000 0.000 0.299 698 N C -1.809 173.460 175.510 -0.403 0.000 1.047 698 N CA -0.745 52.136 53.050 -0.280 0.000 0.814 698 N CB 1.456 39.725 38.487 -0.363 0.000 1.413 698 N HN 0.639 nan 8.380 nan 0.000 0.478 699 Y N -0.516 120.026 120.300 0.403 0.000 2.442 699 Y HA 0.392 4.942 4.550 -0.000 0.000 0.344 699 Y C -0.809 175.268 175.900 0.295 0.000 0.976 699 Y CA -1.006 57.304 58.100 0.349 0.000 1.040 699 Y CB 1.922 40.471 38.460 0.148 0.000 1.228 699 Y HN 0.409 nan 8.280 nan 0.000 0.451 700 D N 4.121 124.785 120.400 0.441 0.000 2.425 700 D HA 0.356 4.996 4.640 -0.000 0.000 0.240 700 D C -2.211 174.257 176.300 0.281 0.000 1.080 700 D CA -2.705 51.353 54.000 0.097 0.000 0.836 700 D CB 2.317 43.127 40.800 0.018 0.000 1.125 700 D HN 0.145 nan 8.370 nan 0.000 0.525 701 P HA -0.095 nan 4.420 nan 0.000 0.218 701 P C 1.289 178.711 177.300 0.204 0.000 1.148 701 P CA 0.789 64.009 63.100 0.200 0.000 0.822 701 P CB 0.296 32.023 31.700 0.044 0.000 0.784 702 S N -0.081 115.665 115.700 0.076 0.000 2.392 702 S HA -0.187 4.283 4.470 -0.000 0.000 0.232 702 S C 1.749 176.364 174.600 0.025 0.000 1.041 702 S CA 1.165 59.386 58.200 0.035 0.000 1.026 702 S CB -0.725 62.466 63.200 -0.015 0.000 0.845 702 S HN 0.261 nan 8.310 nan 0.000 0.465 703 R N -0.114 120.384 120.500 -0.003 0.000 2.339 703 R HA 0.127 4.466 4.340 -0.000 0.000 0.199 703 R C -0.643 175.361 176.300 -0.493 0.000 1.018 703 R CA 0.450 56.402 56.100 -0.247 0.000 1.036 703 R CB -0.138 29.939 30.300 -0.373 0.000 0.899 703 R HN 0.360 nan 8.270 nan 0.000 0.473 704 F N 1.035 121.007 119.950 0.035 0.000 2.532 704 F HA 0.351 4.879 4.527 0.000 0.000 0.321 704 F C -1.896 173.915 175.800 0.017 0.000 1.089 704 F CA -3.383 54.636 58.000 0.031 0.000 0.926 704 F CB 1.148 40.166 39.000 0.030 0.000 1.168 704 F HN -0.210 nan 8.300 nan 0.000 0.459 705 P HA 0.001 nan 4.420 nan 0.000 0.263 705 P C 0.085 177.447 177.300 0.103 0.000 1.195 705 P CA 0.543 63.706 63.100 0.106 0.000 0.762 705 P CB 0.957 32.709 31.700 0.087 0.000 0.799 706 S N 1.989 117.730 115.700 0.069 0.000 3.382 706 S HA -0.172 4.298 4.470 -0.000 0.000 0.293 706 S C 1.187 175.819 174.600 0.053 0.000 1.262 706 S CA 1.219 59.449 58.200 0.050 0.000 0.969 706 S CB -2.102 61.121 63.200 0.038 0.000 1.136 706 S HN 1.113 nan 8.310 nan 0.000 0.635 707 G N 0.766 109.616 108.800 0.083 0.000 2.233 707 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.270 707 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.270 707 G C -0.288 174.646 174.900 0.056 0.000 1.011 707 G CA 1.038 46.189 45.100 0.085 0.000 0.762 707 G HN 0.885 nan 8.290 nan 0.000 0.511 708 K N -0.250 120.177 120.400 0.045 0.000 2.376 708 K HA 0.653 4.973 4.320 -0.000 0.000 0.257 708 K C -0.135 176.343 176.600 -0.203 0.000 0.939 708 K CA -1.196 55.056 56.287 -0.058 0.000 0.809 708 K CB 2.924 35.399 32.500 -0.041 0.000 1.121 708 K HN 0.046 nan 8.250 nan 0.000 0.425 709 V N 3.212 122.876 119.914 -0.417 0.000 2.470 709 V HA 0.132 4.252 4.120 -0.000 0.000 0.276 709 V C -1.772 174.032 176.094 -0.482 0.000 1.040 709 V CA -1.543 60.254 62.300 -0.838 0.000 1.008 709 V CB -0.298 31.029 31.823 -0.827 0.000 0.990 709 V HN 0.746 nan 8.190 nan 0.000 0.477 710 P HA 0.133 nan 4.420 nan 0.000 0.271 710 P C 0.517 177.714 177.300 -0.171 0.000 1.216 710 P CA -0.462 62.539 63.100 -0.166 0.000 0.771 710 P CB 0.743 32.425 31.700 -0.029 0.000 0.864 711 M N 2.592 122.132 119.600 -0.100 0.000 2.279 711 M HA -0.181 4.299 4.480 -0.000 0.000 0.264 711 M C 1.927 178.209 176.300 -0.031 0.000 1.062 711 M CA 1.800 57.060 55.300 -0.066 0.000 1.099 711 M CB -0.832 31.754 32.600 -0.024 0.000 1.394 711 M HN 0.296 nan 8.290 nan 0.000 0.426 712 Q N -0.030 119.762 119.800 -0.012 0.000 2.061 712 Q HA -0.242 4.097 4.340 -0.000 0.000 0.204 712 Q C 2.147 178.168 176.000 0.035 0.000 0.984 712 Q CA 2.296 58.111 55.803 0.019 0.000 0.846 712 Q CB -0.384 28.374 28.738 0.034 0.000 0.902 712 Q HN 0.654 nan 8.270 nan 0.000 0.421 713 Q N -0.288 119.529 119.800 0.029 0.000 2.084 713 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 713 Q C 1.919 177.957 176.000 0.064 0.000 0.978 713 Q CA 1.574 57.429 55.803 0.086 0.000 0.844 713 Q CB -0.332 28.487 28.738 0.136 0.000 0.898 713 Q HN 0.524 nan 8.270 nan 0.000 0.426 714 L N -0.417 120.757 121.223 -0.081 0.000 2.012 714 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 714 L C 2.328 179.257 176.870 0.098 0.000 1.073 714 L CA 1.242 56.055 54.840 -0.045 0.000 0.748 714 L CB -0.578 41.403 42.059 -0.129 0.000 0.891 714 L HN 0.279 nan 8.230 nan 0.000 0.431 715 L N -0.297 120.972 121.223 0.076 0.000 2.109 715 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 715 L C 2.644 179.564 176.870 0.084 0.000 1.086 715 L CA 0.926 55.819 54.840 0.088 0.000 0.760 715 L CB -0.461 41.621 42.059 0.039 0.000 0.910 715 L HN 0.209 nan 8.230 nan 0.000 0.437 716 K N 0.533 120.986 120.400 0.088 0.000 2.057 716 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 716 K C 1.581 178.263 176.600 0.135 0.000 1.049 716 K CA 1.765 58.108 56.287 0.094 0.000 0.931 716 K CB -0.204 32.358 32.500 0.103 0.000 0.714 716 K HN 0.135 nan 8.250 nan 0.000 0.440 717 D N 0.239 120.757 120.400 0.197 0.000 2.144 717 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 717 D C 1.816 178.249 176.300 0.223 0.000 0.978 717 D CA 0.973 55.119 54.000 0.245 0.000 0.833 717 D CB -0.243 40.769 40.800 0.355 0.000 0.961 717 D HN 0.203 nan 8.370 nan 0.000 0.470 718 L N 0.589 121.941 121.223 0.215 0.000 2.017 718 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 718 L C 2.149 179.096 176.870 0.128 0.000 1.073 718 L CA 1.476 56.450 54.840 0.224 0.000 0.745 718 L CB -0.538 41.685 42.059 0.274 0.000 0.894 718 L HN -0.000 nan 8.230 nan 0.000 0.432 719 L N -1.419 119.827 121.223 0.039 0.000 2.017 719 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 719 L C 2.370 179.232 176.870 -0.013 0.000 1.073 719 L CA 1.762 56.551 54.840 -0.084 0.000 0.745 719 L CB -1.417 40.581 42.059 -0.101 0.000 0.894 719 L HN 0.252 nan 8.230 nan 0.000 0.432 720 T N 0.283 114.867 114.554 0.051 0.000 2.624 720 T HA -0.308 4.042 4.350 -0.000 0.000 0.268 720 T C 2.049 176.837 174.700 0.146 0.000 1.041 720 T CA 1.709 63.861 62.100 0.087 0.000 1.159 720 T CB -0.453 68.540 68.868 0.208 0.000 0.863 720 T HN 0.482 nan 8.240 nan 0.000 0.434 721 A N 0.548 123.485 122.820 0.194 0.000 1.873 721 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 721 A C 2.120 179.807 177.584 0.173 0.000 1.193 721 A CA 2.069 54.235 52.037 0.216 0.000 0.629 721 A CB -1.249 17.891 19.000 0.233 0.000 0.826 721 A HN 0.621 nan 8.150 nan 0.000 0.447 722 Y N 0.609 120.914 120.300 0.008 0.000 2.165 722 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 722 Y C 2.408 178.325 175.900 0.028 0.000 1.155 722 Y CA 2.491 60.594 58.100 0.004 0.000 1.164 722 Y CB -0.229 37.996 38.460 -0.390 0.000 0.978 722 Y HN 0.355 nan 8.280 nan 0.000 0.513 723 K N -0.659 119.714 120.400 -0.045 0.000 2.152 723 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 723 K C 0.643 176.974 176.600 -0.448 0.000 1.048 723 K CA 1.628 57.750 56.287 -0.274 0.000 0.933 723 K CB -0.408 31.833 32.500 -0.432 0.000 0.721 723 K HN 0.313 nan 8.250 nan 0.000 0.447 724 F N 0.312 120.210 119.950 -0.088 0.000 2.730 724 F HA 0.308 4.835 4.527 -0.001 0.000 0.295 724 F C 1.173 176.836 175.800 -0.228 0.000 1.143 724 F CA 0.064 57.989 58.000 -0.125 0.000 1.367 724 F CB 0.645 39.603 39.000 -0.069 0.000 0.970 724 F HN 0.246 nan 8.300 nan 0.000 0.514 725 G N 0.266 108.888 108.800 -0.297 0.000 2.153 725 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 725 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 725 G C 0.253 174.962 174.900 -0.318 0.000 0.994 725 G CA 0.164 44.873 45.100 -0.651 0.000 0.698 725 G HN 0.165 nan 8.290 nan 0.000 0.521 726 V N 0.247 120.131 119.914 -0.050 0.000 2.540 726 V HA 0.078 4.198 4.120 -0.000 0.000 0.297 726 V C 1.796 177.985 176.094 0.157 0.000 1.024 726 V CA 1.492 63.830 62.300 0.063 0.000 1.105 726 V CB 1.149 33.042 31.823 0.117 0.000 0.938 726 V HN 0.497 nan 8.190 nan 0.000 0.482 727 K N 2.335 122.809 120.400 0.124 0.000 2.044 727 K HA 0.010 4.330 4.320 -0.000 0.000 0.204 727 K C 0.832 177.534 176.600 0.170 0.000 1.049 727 K CA 1.277 57.662 56.287 0.164 0.000 0.945 727 K CB 0.078 32.642 32.500 0.107 0.000 0.724 727 K HN 0.917 nan 8.250 nan 0.000 0.440 728 T N -2.238 112.402 114.554 0.143 0.000 2.887 728 T HA 0.626 4.975 4.350 -0.000 0.000 0.292 728 T C -0.855 173.949 174.700 0.174 0.000 1.087 728 T CA -0.994 61.203 62.100 0.161 0.000 1.009 728 T CB 1.561 70.494 68.868 0.108 0.000 1.203 728 T HN -0.101 nan 8.240 nan 0.000 0.518 729 L N 1.875 123.224 121.223 0.209 0.000 2.441 729 L HA 0.466 4.805 4.340 -0.000 0.000 0.270 729 L C -0.958 176.060 176.870 0.247 0.000 0.973 729 L CA -0.956 54.028 54.840 0.239 0.000 0.842 729 L CB 1.916 44.143 42.059 0.279 0.000 1.239 729 L HN 0.729 nan 8.230 nan 0.000 0.406 730 Y N 3.235 123.519 120.300 -0.026 0.000 2.979 730 Y HA 0.309 4.859 4.550 0.001 0.000 0.458 730 Y C 0.253 176.156 175.900 0.006 0.000 1.310 730 Y CA -0.540 57.356 58.100 -0.341 0.000 1.777 730 Y CB 0.133 38.347 38.460 -0.410 0.000 1.606 730 Y HN 0.279 nan 8.280 nan 0.000 0.769 731 Y N 1.867 121.896 120.300 -0.451 0.000 2.861 731 Y HA 0.024 4.574 4.550 0.000 0.000 0.344 731 Y C 0.619 176.542 175.900 0.038 0.000 1.272 731 Y CA 0.439 58.418 58.100 -0.202 0.000 1.502 731 Y CB -0.145 38.119 38.460 -0.328 0.000 1.333 731 Y HN 0.281 nan 8.280 nan 0.000 0.634 732 Q N 3.314 123.286 119.800 0.288 0.000 2.333 732 Q HA 0.324 4.664 4.340 -0.000 0.000 0.268 732 Q C -1.413 174.687 176.000 0.166 0.000 1.007 732 Q CA -0.923 55.018 55.803 0.230 0.000 0.810 732 Q CB 0.687 29.589 28.738 0.273 0.000 1.264 732 Q HN 0.640 nan 8.270 nan 0.000 0.452 733 N N 2.376 121.165 118.700 0.148 0.000 2.430 733 N HA 0.428 5.168 4.740 -0.000 0.000 0.292 733 N C -1.222 174.488 175.510 0.334 0.000 1.051 733 N CA -0.227 52.930 53.050 0.178 0.000 0.917 733 N CB 2.060 40.640 38.487 0.156 0.000 1.164 733 N HN 0.450 nan 8.380 nan 0.000 0.484 734 T N 2.024 116.728 114.554 0.250 0.000 2.848 734 T HA 0.676 5.026 4.350 -0.000 0.000 0.285 734 T C 0.143 174.813 174.700 -0.050 0.000 0.995 734 T CA -0.580 61.613 62.100 0.156 0.000 0.970 734 T CB 1.767 70.690 68.868 0.091 0.000 0.976 734 T HN 0.458 nan 8.240 nan 0.000 0.441 735 R N 0.979 121.230 120.500 -0.415 0.000 3.850 735 R HA -0.008 4.332 4.340 -0.000 0.000 0.236 735 R C -1.385 174.083 176.300 -1.388 0.000 0.827 735 R CA -0.236 55.492 56.100 -0.620 0.000 0.733 735 R CB -0.279 29.822 30.300 -0.333 0.000 1.439 735 R HN 0.867 nan 8.270 nan 0.000 0.469 736 D N -1.472 118.292 120.400 -1.060 0.000 2.539 736 D HA 0.279 4.919 4.640 -0.000 0.000 0.232 736 D C 0.218 176.140 176.300 -0.629 0.000 1.256 736 D CA 0.143 53.543 54.000 -1.000 0.000 0.810 736 D CB 1.691 42.246 40.800 -0.408 0.000 1.090 736 D HN 0.701 nan 8.370 nan 0.000 0.519 737 G N 0.297 108.802 108.800 -0.491 0.000 4.002 737 G HA2 0.625 4.585 3.960 -0.000 0.000 0.280 737 G HA3 0.625 4.585 3.960 -0.000 0.000 0.280 737 G C -0.146 174.779 174.900 0.041 0.000 3.418 737 G CA 0.019 45.090 45.100 -0.047 0.000 0.589 737 G HN 0.815 nan 8.290 nan 0.000 0.283 738 A N 0.000 122.990 122.820 0.283 0.000 2.254 738 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 738 A CA 0.000 52.194 52.037 0.261 0.000 0.836 738 A CB 0.000 19.059 19.000 0.099 0.000 0.831 738 A HN 0.000 nan 8.150 nan 0.000 0.486