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 2wni_1_D DATA FIRST_RESID 13 DATA SEQUENCE DWQLEKVVEL SRAGIRPPTA GNREAIEAAT GRPWTEWTTH DGELTGHGYA DATA SEQUENCE AVVNKGREEG QHYRQLGLLQ AGcPTAESIY VRASPLQRTR ATAQALVDGA DATA SEQUENCE FPGcGVAIHY ANGDADPLFQ TDKFAATQTD PARQLAAVKE KAGDLAQRRQ DATA SEQUENCE ALAPTIQLLK QAVcQADKPc PIFDTPWRVE QSKSGKTTIS GLSVMANMVE DATA SEQUENCE TLRLGWSENL PLSQLAWGKI AQASQITALL PLLTENYDLS NDVLYTAQKR DATA SEQUENCE GSVLLNAMLD GVKPEASPNV RWLLLVAHDT NIAMVRTLMN FSWQLPGYSR DATA SEQUENCE GNIPPGSSLV LERWRDAKSG ERYLRVYFQA QGLDDLRRLQ TPDAQHPMLR DATA SEQUENCE QEWRQPGcRQ TDVGTLcPFQ AAITALGQRI DRPSAPAVAM VLPK 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 13 D HA 0.000 nan 4.640 nan 0.000 0.175 13 D C 0.000 175.990 176.300 -0.517 0.000 2.045 13 D CA 0.000 53.783 54.000 -0.362 0.000 0.868 13 D CB 0.000 40.736 40.800 -0.107 0.000 0.688 14 W N 1.262 122.619 121.300 0.095 0.000 2.761 14 W HA 0.547 5.202 4.660 -0.008 0.000 0.340 14 W C -0.297 176.433 176.519 0.352 0.000 1.072 14 W CA -0.609 56.857 57.345 0.202 0.000 1.215 14 W CB 1.794 31.311 29.460 0.095 0.000 1.420 14 W HN 0.109 nan 8.180 nan 0.000 0.519 15 Q N 2.564 122.753 119.800 0.648 0.000 2.310 15 Q HA 0.479 4.777 4.340 -0.071 0.000 0.270 15 Q C -1.158 174.962 176.000 0.200 0.000 1.025 15 Q CA -1.223 54.790 55.803 0.349 0.000 0.772 15 Q CB 2.602 31.440 28.738 0.167 0.000 1.253 15 Q HN 0.386 nan 8.270 nan 0.000 0.450 16 L N 2.406 123.447 121.223 -0.302 0.000 2.360 16 L HA 0.126 4.424 4.340 -0.071 0.000 0.276 16 L C 0.559 177.186 176.870 -0.404 0.000 1.121 16 L CA 0.881 55.187 54.840 -0.891 0.000 0.845 16 L CB 0.525 41.803 42.059 -1.302 0.000 1.143 16 L HN 0.710 nan 8.230 nan 0.000 0.452 17 E N 2.716 122.724 120.200 -0.318 0.000 2.251 17 E HA 0.064 4.372 4.350 -0.071 0.000 0.194 17 E C -0.227 176.264 176.600 -0.181 0.000 0.964 17 E CA 0.227 56.518 56.400 -0.182 0.000 0.868 17 E CB 0.483 30.124 29.700 -0.099 0.000 0.828 17 E HN 0.337 nan 8.360 nan 0.000 0.481 18 K N 0.369 120.635 120.400 -0.224 0.000 2.569 18 K HA 0.251 4.528 4.320 -0.071 0.000 0.259 18 K C -1.997 174.491 176.600 -0.187 0.000 0.932 18 K CA -0.384 55.812 56.287 -0.151 0.000 0.833 18 K CB 1.853 34.317 32.500 -0.061 0.000 1.340 18 K HN -0.157 nan 8.250 nan 0.000 0.429 19 V N 3.971 123.774 119.914 -0.186 0.000 2.487 19 V HA 0.626 4.703 4.120 -0.071 0.000 0.298 19 V C -0.791 175.342 176.094 0.066 0.000 1.028 19 V CA -0.886 61.301 62.300 -0.189 0.000 0.860 19 V CB 1.849 33.302 31.823 -0.617 0.000 0.991 19 V HN 0.539 nan 8.190 nan 0.000 0.427 20 V N 4.348 124.309 119.914 0.078 0.000 2.495 20 V HA 0.622 4.700 4.120 -0.071 0.000 0.298 20 V C -0.321 175.856 176.094 0.138 0.000 1.031 20 V CA -0.474 61.912 62.300 0.143 0.000 0.871 20 V CB 1.817 33.695 31.823 0.092 0.000 0.988 20 V HN 0.988 nan 8.190 nan 0.000 0.432 21 E N 3.759 124.087 120.200 0.213 0.000 2.331 21 E HA 0.656 4.963 4.350 -0.071 0.000 0.275 21 E C -2.126 174.574 176.600 0.166 0.000 0.895 21 E CA -0.850 55.666 56.400 0.193 0.000 0.753 21 E CB 2.521 32.427 29.700 0.343 0.000 1.216 21 E HN 0.548 nan 8.360 nan 0.000 0.434 22 L N 3.306 124.605 121.223 0.127 0.000 2.372 22 L HA 0.511 4.809 4.340 -0.071 0.000 0.273 22 L C -1.351 175.573 176.870 0.090 0.000 0.989 22 L CA -0.141 54.769 54.840 0.117 0.000 0.841 22 L CB 1.652 43.794 42.059 0.137 0.000 1.225 22 L HN 0.421 nan 8.230 nan 0.000 0.414 23 S N 4.732 120.458 115.700 0.043 0.000 2.549 23 S HA 0.615 5.043 4.470 -0.071 0.000 0.297 23 S C -0.212 174.373 174.600 -0.025 0.000 1.115 23 S CA -0.757 57.453 58.200 0.017 0.000 1.059 23 S CB 1.076 64.278 63.200 0.002 0.000 1.046 23 S HN 0.794 nan 8.310 nan 0.000 0.506 24 R N 2.202 122.706 120.500 0.006 0.000 2.582 24 R HA 0.537 4.835 4.340 -0.071 0.000 0.271 24 R C 0.444 176.718 176.300 -0.043 0.000 1.078 24 R CA -0.147 55.947 56.100 -0.009 0.000 1.127 24 R CB 0.386 30.720 30.300 0.057 0.000 1.038 24 R HN 0.820 nan 8.270 nan 0.000 0.500 25 A N 2.207 124.990 122.820 -0.062 0.000 2.615 25 A HA 0.159 4.437 4.320 -0.071 0.000 0.230 25 A C 0.620 178.207 177.584 0.005 0.000 1.062 25 A CA 0.669 52.686 52.037 -0.034 0.000 0.758 25 A CB -0.178 18.828 19.000 0.011 0.000 0.995 25 A HN 0.898 nan 8.150 nan 0.000 0.511 26 G N -0.403 108.400 108.800 0.005 0.000 2.508 26 G HA2 0.469 4.386 3.960 -0.071 0.000 0.278 26 G HA3 0.469 4.386 3.960 -0.071 0.000 0.278 26 G C 0.141 175.085 174.900 0.074 0.000 1.389 26 G CA -0.963 44.157 45.100 0.034 0.000 1.050 26 G HN 0.803 nan 8.290 nan 0.000 0.522 27 I N 0.645 121.287 120.570 0.120 0.000 2.683 27 I HA 0.160 4.288 4.170 -0.071 0.000 0.286 27 I C 0.849 177.035 176.117 0.114 0.000 1.175 27 I CA 0.400 61.797 61.300 0.161 0.000 1.429 27 I CB 0.336 38.494 38.000 0.264 0.000 1.371 27 I HN 0.543 nan 8.210 nan 0.000 0.569 28 R N 6.196 126.711 120.500 0.025 0.000 2.837 28 R HA 0.733 5.031 4.340 -0.071 0.000 0.271 28 R C -3.036 172.983 176.300 -0.468 0.000 0.993 28 R CA -1.988 54.044 56.100 -0.114 0.000 0.931 28 R CB 1.010 31.254 30.300 -0.093 0.000 1.206 28 R HN 0.140 nan 8.270 nan 0.000 0.474 29 P HA 0.199 nan 4.420 nan 0.000 0.286 29 P C -2.480 174.364 177.300 -0.760 0.000 1.293 29 P CA -1.389 60.704 63.100 -1.678 0.000 0.770 29 P CB -0.244 30.464 31.700 -1.654 0.000 1.206 30 P HA -0.033 nan 4.420 nan 0.000 0.268 30 P C -0.052 177.101 177.300 -0.245 0.000 1.208 30 P CA 0.479 63.404 63.100 -0.292 0.000 0.777 30 P CB -0.205 31.361 31.700 -0.224 0.000 0.875 31 T N -1.705 112.745 114.554 -0.173 0.000 2.766 31 T HA 0.287 4.595 4.350 -0.071 0.000 0.295 31 T C 1.637 176.263 174.700 -0.123 0.000 1.024 31 T CA 0.018 62.035 62.100 -0.138 0.000 1.018 31 T CB 0.175 68.972 68.868 -0.119 0.000 1.002 31 T HN 0.425 nan 8.240 nan 0.000 0.532 32 A N 1.206 123.969 122.820 -0.095 0.000 1.908 32 A HA 0.084 4.362 4.320 -0.071 0.000 0.218 32 A C 2.510 180.047 177.584 -0.078 0.000 1.181 32 A CA 1.988 53.981 52.037 -0.073 0.000 0.627 32 A CB -1.765 17.203 19.000 -0.054 0.000 0.818 32 A HN 1.101 nan 8.150 nan 0.000 0.445 33 G N -0.334 108.416 108.800 -0.084 0.000 2.418 33 G HA2 -0.282 3.635 3.960 -0.071 0.000 0.217 33 G HA3 -0.282 3.635 3.960 -0.071 0.000 0.217 33 G C 1.413 176.251 174.900 -0.104 0.000 1.158 33 G CA 1.073 46.122 45.100 -0.085 0.000 0.771 33 G HN 0.728 nan 8.290 nan 0.000 0.545 34 N N -0.001 118.625 118.700 -0.123 0.000 2.061 34 N HA -0.159 4.539 4.740 -0.071 0.000 0.193 34 N C 2.253 177.646 175.510 -0.195 0.000 1.030 34 N CA 1.090 54.046 53.050 -0.157 0.000 0.856 34 N CB -0.186 38.203 38.487 -0.163 0.000 1.023 34 N HN 0.256 nan 8.380 nan 0.000 0.424 35 R N 1.311 121.710 120.500 -0.167 0.000 2.073 35 R HA -0.160 4.138 4.340 -0.071 0.000 0.234 35 R C 2.015 178.236 176.300 -0.131 0.000 1.134 35 R CA 1.344 57.344 56.100 -0.167 0.000 0.952 35 R CB -0.039 30.208 30.300 -0.087 0.000 0.850 35 R HN 0.086 nan 8.270 nan 0.000 0.433 36 E N 0.571 120.718 120.200 -0.089 0.000 2.058 36 E HA -0.165 4.143 4.350 -0.071 0.000 0.194 36 E C 1.698 178.254 176.600 -0.072 0.000 0.997 36 E CA 2.002 58.367 56.400 -0.058 0.000 0.801 36 E CB -0.343 29.329 29.700 -0.046 0.000 0.746 36 E HN 0.453 nan 8.360 nan 0.000 0.450 37 A N 1.061 123.820 122.820 -0.102 0.000 1.873 37 A HA -0.121 4.157 4.320 -0.071 0.000 0.215 37 A C 2.407 179.914 177.584 -0.128 0.000 1.186 37 A CA 1.759 53.734 52.037 -0.103 0.000 0.616 37 A CB -0.981 17.954 19.000 -0.109 0.000 0.823 37 A HN 0.514 nan 8.150 nan 0.000 0.442 38 I N -2.319 118.109 120.570 -0.236 0.000 2.252 38 I HA -0.186 3.942 4.170 -0.071 0.000 0.245 38 I C 1.886 177.918 176.117 -0.142 0.000 1.102 38 I CA 2.131 63.234 61.300 -0.328 0.000 1.385 38 I CB -0.798 36.713 38.000 -0.815 0.000 1.064 38 I HN 0.324 nan 8.210 nan 0.000 0.414 39 E N 1.932 122.062 120.200 -0.117 0.000 2.110 39 E HA -0.154 4.154 4.350 -0.071 0.000 0.193 39 E C 2.433 179.108 176.600 0.126 0.000 0.988 39 E CA 1.326 57.806 56.400 0.132 0.000 0.804 39 E CB -0.198 29.585 29.700 0.138 0.000 0.745 39 E HN 0.700 nan 8.360 nan 0.000 0.458 40 A N 1.847 124.699 122.820 0.053 0.000 1.845 40 A HA -0.115 4.163 4.320 -0.071 0.000 0.215 40 A C 2.484 180.108 177.584 0.068 0.000 1.195 40 A CA 1.719 53.786 52.037 0.049 0.000 0.616 40 A CB -0.884 18.125 19.000 0.015 0.000 0.832 40 A HN 0.289 nan 8.150 nan 0.000 0.443 41 A N -0.794 122.057 122.820 0.052 0.000 2.032 41 A HA -0.118 4.160 4.320 -0.071 0.000 0.221 41 A C 2.111 179.792 177.584 0.163 0.000 1.165 41 A CA 2.623 54.701 52.037 0.069 0.000 0.645 41 A CB -0.962 18.048 19.000 0.016 0.000 0.807 41 A HN 0.935 nan 8.150 nan 0.000 0.453 42 T N -5.727 108.966 114.554 0.231 0.000 3.040 42 T HA 0.431 4.739 4.350 -0.071 0.000 0.266 42 T C 1.226 176.032 174.700 0.177 0.000 1.005 42 T CA 0.976 63.245 62.100 0.282 0.000 0.906 42 T CB 0.089 69.237 68.868 0.468 0.000 1.082 42 T HN 1.685 nan 8.240 nan 0.000 0.531 43 G N 3.077 111.970 108.800 0.155 0.000 2.341 43 G HA2 -0.292 3.626 3.960 -0.071 0.000 0.292 43 G HA3 -0.292 3.626 3.960 -0.071 0.000 0.292 43 G C -0.034 174.921 174.900 0.092 0.000 1.021 43 G CA 0.494 45.656 45.100 0.104 0.000 0.905 43 G HN 1.062 nan 8.290 nan 0.000 0.508 44 R N -1.412 119.182 120.500 0.157 0.000 2.643 44 R HA 0.649 4.946 4.340 -0.071 0.000 0.269 44 R C -3.186 173.306 176.300 0.319 0.000 1.037 44 R CA -2.036 54.148 56.100 0.141 0.000 0.894 44 R CB 1.692 31.968 30.300 -0.040 0.000 1.238 44 R HN 0.026 nan 8.270 nan 0.000 0.459 45 P HA 0.060 nan 4.420 nan 0.000 0.269 45 P C -1.077 176.608 177.300 0.641 0.000 1.215 45 P CA -0.079 63.260 63.100 0.399 0.000 0.780 45 P CB 0.401 32.266 31.700 0.274 0.000 0.898 46 W N -0.115 121.368 121.300 0.305 0.000 2.576 46 W HA 0.294 4.912 4.660 -0.071 0.000 0.360 46 W C 0.344 176.966 176.519 0.171 0.000 1.109 46 W CA -0.367 57.152 57.345 0.290 0.000 1.237 46 W CB 0.000 29.605 29.460 0.242 0.000 1.369 46 W HN 0.130 nan 8.180 nan 0.000 0.609 47 T N 3.234 117.942 114.554 0.257 0.000 2.891 47 T HA -0.033 4.274 4.350 -0.071 0.000 0.296 47 T C -0.088 174.830 174.700 0.363 0.000 1.025 47 T CA 0.116 62.319 62.100 0.172 0.000 1.149 47 T CB 0.074 68.915 68.868 -0.044 0.000 1.007 47 T HN 0.073 nan 8.240 nan 0.000 0.528 48 E N 2.868 123.229 120.200 0.268 0.000 2.194 48 E HA 0.113 4.420 4.350 -0.071 0.000 0.284 48 E C -0.168 176.639 176.600 0.345 0.000 1.035 48 E CA -0.289 56.289 56.400 0.296 0.000 0.836 48 E CB 0.621 30.420 29.700 0.165 0.000 1.070 48 E HN 0.517 nan 8.360 nan 0.000 0.401 49 W N 1.144 122.436 121.300 -0.013 0.000 1.966 49 W HA 0.110 4.728 4.660 -0.071 0.000 0.367 49 W C 1.915 178.391 176.519 -0.071 0.000 1.451 49 W CA -0.607 56.714 57.345 -0.039 0.000 1.538 49 W CB -0.525 28.917 29.460 -0.030 0.000 1.251 49 W HN 0.329 nan 8.180 nan 0.000 0.671 50 T N 0.041 114.709 114.554 0.190 0.000 3.023 50 T HA -0.011 4.297 4.350 -0.071 0.000 0.266 50 T C 0.419 175.107 174.700 -0.020 0.000 1.093 50 T CA 1.062 63.188 62.100 0.045 0.000 1.129 50 T CB -0.221 68.666 68.868 0.033 0.000 0.899 50 T HN 0.205 nan 8.240 nan 0.000 0.491 51 T N 1.983 116.573 114.554 0.060 0.000 2.867 51 T HA 0.315 4.622 4.350 -0.071 0.000 0.282 51 T C -0.451 174.181 174.700 -0.113 0.000 1.000 51 T CA -0.671 61.408 62.100 -0.035 0.000 1.042 51 T CB 0.773 69.685 68.868 0.072 0.000 0.973 51 T HN 0.230 nan 8.240 nan 0.000 0.465 52 H N 2.141 121.215 119.070 0.008 0.000 2.928 52 H HA 0.020 4.534 4.556 -0.071 0.000 0.338 52 H C 0.101 175.375 175.328 -0.091 0.000 1.047 52 H CA -0.084 55.947 56.048 -0.027 0.000 1.435 52 H CB 0.422 30.171 29.762 -0.023 0.000 1.428 52 H HN 0.565 nan 8.280 nan 0.000 0.590 53 D N 1.365 121.765 120.400 -0.000 0.000 2.730 53 D HA -0.016 4.582 4.640 -0.071 0.000 0.225 53 D C 1.535 177.780 176.300 -0.092 0.000 1.107 53 D CA 1.795 55.725 54.000 -0.117 0.000 0.837 53 D CB 0.278 41.027 40.800 -0.085 0.000 1.171 53 D HN 0.874 nan 8.370 nan 0.000 0.498 54 G N 2.206 110.914 108.800 -0.153 0.000 2.205 54 G HA2 -0.291 3.626 3.960 -0.071 0.000 0.261 54 G HA3 -0.291 3.626 3.960 -0.071 0.000 0.261 54 G C 0.320 175.183 174.900 -0.062 0.000 0.980 54 G CA 0.334 45.370 45.100 -0.106 0.000 0.632 54 G HN 0.557 nan 8.290 nan 0.000 0.533 55 E N -0.717 119.458 120.200 -0.042 0.000 2.239 55 E HA 0.620 4.928 4.350 -0.071 0.000 0.261 55 E C -0.230 176.374 176.600 0.006 0.000 1.016 55 E CA -1.124 55.277 56.400 0.001 0.000 0.882 55 E CB 1.664 31.393 29.700 0.049 0.000 1.190 55 E HN 0.190 nan 8.360 nan 0.000 0.415 56 L N 1.745 122.993 121.223 0.041 0.000 2.360 56 L HA 0.106 4.403 4.340 -0.071 0.000 0.276 56 L C 0.270 177.204 176.870 0.105 0.000 1.121 56 L CA 0.201 55.085 54.840 0.074 0.000 0.845 56 L CB 0.615 42.735 42.059 0.102 0.000 1.143 56 L HN 0.586 nan 8.230 nan 0.000 0.452 57 T N 1.539 116.174 114.554 0.135 0.000 2.860 57 T HA 0.307 4.615 4.350 -0.071 0.000 0.299 57 T C 1.368 176.174 174.700 0.177 0.000 1.045 57 T CA -0.154 62.051 62.100 0.175 0.000 1.071 57 T CB 1.027 70.062 68.868 0.279 0.000 0.985 57 T HN 0.752 nan 8.240 nan 0.000 0.537 58 G N -0.027 108.856 108.800 0.138 0.000 2.440 58 G HA2 -0.294 3.624 3.960 -0.071 0.000 0.218 58 G HA3 -0.294 3.624 3.960 -0.071 0.000 0.218 58 G C 1.337 176.331 174.900 0.157 0.000 1.154 58 G CA 1.289 46.452 45.100 0.106 0.000 0.767 58 G HN 1.040 nan 8.290 nan 0.000 0.552 59 H N 0.491 119.615 119.070 0.089 0.000 2.353 59 H HA 0.018 4.532 4.556 -0.071 0.000 0.300 59 H C 2.708 178.097 175.328 0.102 0.000 1.090 59 H CA 1.974 58.066 56.048 0.074 0.000 1.327 59 H CB -0.461 29.332 29.762 0.051 0.000 1.383 59 H HN 0.250 nan 8.280 nan 0.000 0.508 60 G N -0.626 108.324 108.800 0.250 0.000 2.446 60 G HA2 -0.370 3.547 3.960 -0.071 0.000 0.217 60 G HA3 -0.370 3.547 3.960 -0.071 0.000 0.217 60 G C 1.592 176.557 174.900 0.109 0.000 1.168 60 G CA 1.029 46.236 45.100 0.180 0.000 0.771 60 G HN 0.533 nan 8.290 nan 0.000 0.551 61 Y N 1.938 122.247 120.300 0.016 0.000 2.145 61 Y HA -0.015 4.493 4.550 -0.070 0.000 0.286 61 Y C 2.979 178.854 175.900 -0.042 0.000 1.145 61 Y CA 1.446 59.540 58.100 -0.010 0.000 1.148 61 Y CB -0.381 38.077 38.460 -0.003 0.000 0.981 61 Y HN 0.252 nan 8.280 nan 0.000 0.507 62 A N -0.063 122.857 122.820 0.167 0.000 1.969 62 A HA -0.072 4.206 4.320 -0.071 0.000 0.218 62 A C 2.370 179.915 177.584 -0.064 0.000 1.169 62 A CA 1.666 53.733 52.037 0.051 0.000 0.635 62 A CB -1.326 17.647 19.000 -0.046 0.000 0.810 62 A HN 0.550 nan 8.150 nan 0.000 0.445 63 A N -0.649 122.104 122.820 -0.111 0.000 1.929 63 A HA 0.067 4.345 4.320 -0.071 0.000 0.216 63 A C 2.166 179.701 177.584 -0.081 0.000 1.176 63 A CA 1.552 53.525 52.037 -0.106 0.000 0.628 63 A CB -0.753 18.200 19.000 -0.078 0.000 0.816 63 A HN 0.347 nan 8.150 nan 0.000 0.444 64 V N -0.331 119.521 119.914 -0.103 0.000 2.427 64 V HA -0.208 3.870 4.120 -0.071 0.000 0.248 64 V C 2.558 178.559 176.094 -0.155 0.000 1.051 64 V CA 1.843 64.060 62.300 -0.138 0.000 1.048 64 V CB -0.598 31.102 31.823 -0.205 0.000 0.666 64 V HN 0.371 nan 8.190 nan 0.000 0.456 65 V N 0.691 120.500 119.914 -0.174 0.000 2.295 65 V HA -0.255 3.822 4.120 -0.071 0.000 0.246 65 V C 2.373 178.426 176.094 -0.068 0.000 1.049 65 V CA 2.138 64.369 62.300 -0.115 0.000 1.024 65 V CB -0.869 30.934 31.823 -0.034 0.000 0.648 65 V HN 0.580 nan 8.190 nan 0.000 0.447 66 N N 0.465 119.128 118.700 -0.062 0.000 2.060 66 N HA -0.237 4.461 4.740 -0.071 0.000 0.195 66 N C 1.867 177.344 175.510 -0.054 0.000 1.028 66 N CA 1.867 54.885 53.050 -0.054 0.000 0.861 66 N CB -0.431 38.020 38.487 -0.059 0.000 1.029 66 N HN 0.512 nan 8.380 nan 0.000 0.428 67 K N 0.664 121.030 120.400 -0.056 0.000 2.103 67 K HA -0.036 4.242 4.320 -0.071 0.000 0.204 67 K C 1.999 178.578 176.600 -0.034 0.000 1.052 67 K CA 1.263 57.520 56.287 -0.050 0.000 0.945 67 K CB -0.371 32.102 32.500 -0.046 0.000 0.722 67 K HN 0.166 nan 8.250 nan 0.000 0.443 68 G N 1.518 110.301 108.800 -0.029 0.000 2.422 68 G HA2 -0.277 3.640 3.960 -0.071 0.000 0.218 68 G HA3 -0.277 3.640 3.960 -0.071 0.000 0.218 68 G C 1.629 176.512 174.900 -0.027 0.000 1.146 68 G CA 0.690 45.794 45.100 0.006 0.000 0.769 68 G HN 0.342 nan 8.290 nan 0.000 0.547 69 R N 0.607 121.079 120.500 -0.047 0.000 2.096 69 R HA -0.161 4.136 4.340 -0.071 0.000 0.240 69 R C 2.481 178.747 176.300 -0.057 0.000 1.139 69 R CA 2.064 58.132 56.100 -0.053 0.000 0.952 69 R CB -0.280 29.997 30.300 -0.038 0.000 0.854 69 R HN 0.454 nan 8.270 nan 0.000 0.436 70 E N 0.384 120.549 120.200 -0.059 0.000 2.150 70 E HA -0.198 4.110 4.350 -0.071 0.000 0.193 70 E C 1.752 178.294 176.600 -0.098 0.000 0.985 70 E CA 1.642 57.999 56.400 -0.073 0.000 0.814 70 E CB -0.082 29.567 29.700 -0.085 0.000 0.752 70 E HN 0.473 nan 8.360 nan 0.000 0.466 71 E N -0.490 119.646 120.200 -0.106 0.000 2.072 71 E HA -0.110 4.197 4.350 -0.071 0.000 0.191 71 E C 2.020 178.508 176.600 -0.187 0.000 0.985 71 E CA 1.010 57.295 56.400 -0.191 0.000 0.801 71 E CB -0.463 29.202 29.700 -0.058 0.000 0.750 71 E HN 0.438 nan 8.360 nan 0.000 0.452 72 G N 0.631 109.383 108.800 -0.080 0.000 2.446 72 G HA2 -0.326 3.591 3.960 -0.071 0.000 0.217 72 G HA3 -0.326 3.591 3.960 -0.071 0.000 0.217 72 G C 1.436 176.297 174.900 -0.065 0.000 1.168 72 G CA 0.950 45.984 45.100 -0.110 0.000 0.771 72 G HN 0.282 nan 8.290 nan 0.000 0.551 73 Q N -0.978 118.789 119.800 -0.055 0.000 2.119 73 Q HA -0.076 4.221 4.340 -0.071 0.000 0.201 73 Q C 2.266 178.255 176.000 -0.018 0.000 0.972 73 Q CA 1.259 57.050 55.803 -0.021 0.000 0.847 73 Q CB -0.186 28.545 28.738 -0.013 0.000 0.903 73 Q HN 0.722 nan 8.270 nan 0.000 0.433 74 H N -0.530 118.430 119.070 -0.182 0.000 2.321 74 H HA -0.172 4.341 4.556 -0.072 0.000 0.300 74 H C 1.075 176.294 175.328 -0.180 0.000 1.087 74 H CA 1.747 57.645 56.048 -0.250 0.000 1.319 74 H CB -0.072 29.420 29.762 -0.451 0.000 1.379 74 H HN 0.237 nan 8.280 nan 0.000 0.501 75 Y N 0.151 120.305 120.300 -0.243 0.000 2.516 75 Y HA 0.114 4.620 4.550 -0.073 0.000 0.291 75 Y C 2.483 178.286 175.900 -0.162 0.000 1.131 75 Y CA 0.515 58.429 58.100 -0.311 0.000 1.281 75 Y CB -0.051 38.186 38.460 -0.371 0.000 1.013 75 Y HN 0.182 nan 8.280 nan 0.000 0.554 76 R N -0.537 119.992 120.500 0.049 0.000 2.100 76 R HA -0.108 4.190 4.340 -0.071 0.000 0.220 76 R C 2.237 178.549 176.300 0.020 0.000 1.091 76 R CA 0.788 56.921 56.100 0.055 0.000 0.986 76 R CB -0.169 30.174 30.300 0.070 0.000 0.888 76 R HN 0.248 nan 8.270 nan 0.000 0.444 77 Q N 1.073 120.868 119.800 -0.009 0.000 2.167 77 Q HA -0.096 4.202 4.340 -0.071 0.000 0.202 77 Q C 1.692 177.687 176.000 -0.009 0.000 0.970 77 Q CA 1.249 57.050 55.803 -0.003 0.000 0.855 77 Q CB 0.162 28.902 28.738 0.003 0.000 0.911 77 Q HN 0.369 nan 8.270 nan 0.000 0.438 78 L N -0.667 120.523 121.223 -0.055 0.000 2.599 78 L HA 0.074 4.372 4.340 -0.071 0.000 0.230 78 L C 1.296 178.164 176.870 -0.004 0.000 1.141 78 L CA 0.594 55.422 54.840 -0.020 0.000 0.877 78 L CB -0.074 41.942 42.059 -0.071 0.000 1.009 78 L HN 0.469 nan 8.230 nan 0.000 0.447 79 G N 0.166 108.967 108.800 0.001 0.000 2.179 79 G HA2 -0.349 3.569 3.960 -0.071 0.000 0.260 79 G HA3 -0.349 3.569 3.960 -0.071 0.000 0.260 79 G C 0.768 175.658 174.900 -0.016 0.000 0.977 79 G CA 0.576 45.679 45.100 0.005 0.000 0.641 79 G HN 0.310 nan 8.290 nan 0.000 0.533 80 L N -0.098 121.097 121.223 -0.047 0.000 2.109 80 L HA 0.489 4.787 4.340 -0.071 0.000 0.207 80 L C 1.229 178.093 176.870 -0.009 0.000 1.086 80 L CA 1.528 56.313 54.840 -0.091 0.000 0.760 80 L CB -0.024 41.900 42.059 -0.227 0.000 0.910 80 L HN 0.360 nan 8.230 nan 0.000 0.437 81 L N -0.055 121.203 121.223 0.059 0.000 2.334 81 L HA 0.421 4.718 4.340 -0.071 0.000 0.273 81 L C -0.115 176.829 176.870 0.123 0.000 1.013 81 L CA -0.934 53.995 54.840 0.147 0.000 0.816 81 L CB 1.356 43.591 42.059 0.293 0.000 1.278 81 L HN 0.001 nan 8.230 nan 0.000 0.431 82 Q N 0.952 120.825 119.800 0.123 0.000 2.199 82 Q HA 0.515 4.813 4.340 -0.071 0.000 0.232 82 Q C -0.095 175.973 176.000 0.114 0.000 0.969 82 Q CA -0.567 55.291 55.803 0.090 0.000 0.925 82 Q CB 1.583 30.360 28.738 0.065 0.000 1.198 82 Q HN 0.721 nan 8.270 nan 0.000 0.494 83 A N 0.016 122.889 122.820 0.087 0.000 2.492 83 A HA 0.465 4.742 4.320 -0.071 0.000 0.236 83 A C 0.863 178.512 177.584 0.109 0.000 1.078 83 A CA 0.974 53.067 52.037 0.093 0.000 0.773 83 A CB -0.614 18.425 19.000 0.066 0.000 1.023 83 A HN 0.880 nan 8.150 nan 0.000 0.504 84 G N -0.708 108.168 108.800 0.127 0.000 2.512 84 G HA2 -0.137 3.781 3.960 -0.071 0.000 0.240 84 G HA3 -0.137 3.781 3.960 -0.071 0.000 0.240 84 G C 0.224 175.216 174.900 0.153 0.000 1.246 84 G CA -0.227 44.945 45.100 0.119 0.000 0.919 84 G HN 1.560 nan 8.290 nan 0.000 0.577 85 c N 3.790 122.440 118.600 0.084 0.000 2.536 85 c HA 0.616 5.144 4.570 -0.071 0.000 0.396 85 c C -0.871 173.181 174.090 -0.065 0.000 1.279 85 c CA -0.279 56.066 56.329 0.027 0.000 2.148 85 c CB 0.595 43.104 42.510 -0.001 0.000 2.584 85 c HN 0.724 nan 8.230 nan 0.000 0.579 86 P HA 0.229 nan 4.420 nan 0.000 0.272 86 P C -0.072 177.116 177.300 -0.187 0.000 1.223 86 P CA 0.257 63.150 63.100 -0.345 0.000 0.784 86 P CB 0.589 31.765 31.700 -0.875 0.000 0.923 87 T N -2.344 112.147 114.554 -0.105 0.000 2.892 87 T HA 0.539 4.847 4.350 -0.071 0.000 0.280 87 T C 1.346 176.017 174.700 -0.047 0.000 1.004 87 T CA -0.079 61.984 62.100 -0.061 0.000 0.950 87 T CB 0.423 69.274 68.868 -0.028 0.000 1.309 87 T HN 0.287 nan 8.240 nan 0.000 0.592 88 A N -0.156 122.656 122.820 -0.014 0.000 2.067 88 A HA 0.018 4.296 4.320 -0.071 0.000 0.219 88 A C 2.207 179.802 177.584 0.019 0.000 1.158 88 A CA 0.859 52.908 52.037 0.019 0.000 0.661 88 A CB -0.921 18.094 19.000 0.025 0.000 0.801 88 A HN 0.841 nan 8.150 nan 0.000 0.452 89 E N 0.533 120.735 120.200 0.003 0.000 2.160 89 E HA -0.130 4.178 4.350 -0.071 0.000 0.195 89 E C 2.159 178.775 176.600 0.027 0.000 0.991 89 E CA 1.508 57.912 56.400 0.007 0.000 0.810 89 E CB -0.253 29.448 29.700 0.002 0.000 0.742 89 E HN 0.643 nan 8.360 nan 0.000 0.466 90 S N 0.210 115.923 115.700 0.021 0.000 2.371 90 S HA 0.092 4.519 4.470 -0.071 0.000 0.221 90 S C 1.273 175.945 174.600 0.120 0.000 1.036 90 S CA 0.328 58.565 58.200 0.061 0.000 0.965 90 S CB 0.578 63.787 63.200 0.014 0.000 0.845 90 S HN 0.197 nan 8.310 nan 0.000 0.475 91 I N -0.436 120.161 120.570 0.045 0.000 2.827 91 I HA 0.508 4.636 4.170 -0.071 0.000 0.298 91 I C -2.267 173.878 176.117 0.046 0.000 1.235 91 I CA -1.130 60.188 61.300 0.031 0.000 1.021 91 I CB 2.259 40.203 38.000 -0.093 0.000 1.259 91 I HN 0.188 nan 8.210 nan 0.000 0.427 92 Y N 6.372 126.614 120.300 -0.098 0.000 2.386 92 Y HA 0.683 5.191 4.550 -0.071 0.000 0.334 92 Y C -1.768 174.097 175.900 -0.060 0.000 1.002 92 Y CA -0.578 57.493 58.100 -0.048 0.000 1.068 92 Y CB 1.767 40.197 38.460 -0.050 0.000 1.203 92 Y HN 0.247 nan 8.280 nan 0.000 0.443 93 V N 7.149 126.705 119.914 -0.596 0.000 2.448 93 V HA 0.582 4.659 4.120 -0.071 0.000 0.295 93 V C -0.759 175.126 176.094 -0.348 0.000 1.025 93 V CA -0.833 61.252 62.300 -0.358 0.000 0.859 93 V CB 1.620 33.267 31.823 -0.294 0.000 0.988 93 V HN 0.724 nan 8.190 nan 0.000 0.431 94 R N 3.770 124.219 120.500 -0.085 0.000 2.451 94 R HA 0.801 5.099 4.340 -0.071 0.000 0.307 94 R C -0.769 175.636 176.300 0.175 0.000 0.965 94 R CA -0.227 55.925 56.100 0.086 0.000 0.865 94 R CB 1.590 32.036 30.300 0.244 0.000 1.174 94 R HN 0.833 nan 8.270 nan 0.000 0.455 95 A N 3.036 125.954 122.820 0.163 0.000 2.337 95 A HA 0.455 4.733 4.320 -0.071 0.000 0.329 95 A C -0.353 177.311 177.584 0.133 0.000 1.146 95 A CA -0.623 51.446 52.037 0.054 0.000 0.800 95 A CB 1.718 20.699 19.000 -0.032 0.000 1.220 95 A HN 0.758 nan 8.150 nan 0.000 0.472 96 S N 1.999 117.597 115.700 -0.170 0.000 2.599 96 S HA 0.080 4.508 4.470 -0.071 0.000 0.303 96 S C -1.104 173.542 174.600 0.077 0.000 1.267 96 S CA -0.116 58.055 58.200 -0.049 0.000 1.055 96 S CB 0.384 63.335 63.200 -0.415 0.000 0.790 96 S HN 0.541 nan 8.310 nan 0.000 0.500 97 P HA 0.049 nan 4.420 nan 0.000 0.242 97 P C 0.084 177.378 177.300 -0.009 0.000 1.197 97 P CA 0.022 63.190 63.100 0.115 0.000 0.765 97 P CB 0.003 31.845 31.700 0.237 0.000 0.936 98 L N 0.807 122.054 121.223 0.039 0.000 2.483 98 L HA -0.001 4.297 4.340 -0.071 0.000 0.275 98 L C 2.360 179.197 176.870 -0.055 0.000 1.220 98 L CA 0.729 55.581 54.840 0.021 0.000 0.833 98 L CB -0.272 41.849 42.059 0.104 0.000 1.102 98 L HN -0.081 nan 8.230 nan 0.000 0.490 99 Q N 2.412 122.179 119.800 -0.054 0.000 2.096 99 Q HA -0.203 4.094 4.340 -0.071 0.000 0.204 99 Q C 1.966 177.936 176.000 -0.049 0.000 0.982 99 Q CA 2.126 57.885 55.803 -0.073 0.000 0.850 99 Q CB 0.023 28.734 28.738 -0.045 0.000 0.901 99 Q HN 0.744 nan 8.270 nan 0.000 0.422 100 R N -0.311 120.182 120.500 -0.012 0.000 2.148 100 R HA -0.042 4.256 4.340 -0.071 0.000 0.223 100 R C 2.099 178.382 176.300 -0.028 0.000 1.088 100 R CA 1.699 57.800 56.100 0.002 0.000 0.985 100 R CB -0.786 29.527 30.300 0.022 0.000 0.880 100 R HN 0.230 nan 8.270 nan 0.000 0.451 101 T N -1.030 113.489 114.554 -0.058 0.000 2.896 101 T HA 0.082 4.390 4.350 -0.071 0.000 0.263 101 T C 1.969 176.588 174.700 -0.135 0.000 1.050 101 T CA 0.334 62.351 62.100 -0.140 0.000 1.140 101 T CB -0.134 68.577 68.868 -0.261 0.000 0.877 101 T HN 0.207 nan 8.240 nan 0.000 0.457 102 R N 1.471 121.884 120.500 -0.145 0.000 2.073 102 R HA 0.078 4.376 4.340 -0.071 0.000 0.234 102 R C 2.972 179.216 176.300 -0.093 0.000 1.134 102 R CA 1.453 57.454 56.100 -0.165 0.000 0.952 102 R CB -0.801 29.319 30.300 -0.300 0.000 0.850 102 R HN 0.516 nan 8.270 nan 0.000 0.433 103 A N 0.441 123.231 122.820 -0.049 0.000 1.933 103 A HA -0.137 4.140 4.320 -0.071 0.000 0.218 103 A C 2.188 179.775 177.584 0.005 0.000 1.175 103 A CA 1.854 53.920 52.037 0.050 0.000 0.628 103 A CB -0.655 18.404 19.000 0.097 0.000 0.814 103 A HN 0.285 nan 8.150 nan 0.000 0.444 104 T N 0.253 114.770 114.554 -0.062 0.000 2.701 104 T HA 0.015 4.322 4.350 -0.071 0.000 0.263 104 T C 2.299 176.903 174.700 -0.160 0.000 1.040 104 T CA 1.541 63.562 62.100 -0.132 0.000 1.147 104 T CB -0.557 68.250 68.868 -0.101 0.000 0.865 104 T HN 0.613 nan 8.240 nan 0.000 0.426 105 A N 1.741 124.485 122.820 -0.127 0.000 1.884 105 A HA -0.298 3.979 4.320 -0.071 0.000 0.219 105 A C 2.263 179.776 177.584 -0.119 0.000 1.197 105 A CA 2.142 54.104 52.037 -0.124 0.000 0.637 105 A CB -0.882 18.051 19.000 -0.112 0.000 0.827 105 A HN 0.612 nan 8.150 nan 0.000 0.450 106 Q N -1.012 118.738 119.800 -0.083 0.000 2.124 106 Q HA -0.066 4.231 4.340 -0.071 0.000 0.202 106 Q C 2.426 178.366 176.000 -0.100 0.000 0.977 106 Q CA 1.243 57.028 55.803 -0.030 0.000 0.850 106 Q CB -0.387 28.398 28.738 0.079 0.000 0.901 106 Q HN 0.717 nan 8.270 nan 0.000 0.429 107 A N 0.954 123.562 122.820 -0.352 0.000 1.933 107 A HA -0.149 4.129 4.320 -0.071 0.000 0.218 107 A C 2.073 179.458 177.584 -0.332 0.000 1.175 107 A CA 1.030 52.620 52.037 -0.744 0.000 0.628 107 A CB -0.603 17.647 19.000 -1.250 0.000 0.814 107 A HN 0.267 nan 8.150 nan 0.000 0.444 108 L N -0.055 121.041 121.223 -0.211 0.000 2.017 108 L HA -0.163 4.135 4.340 -0.071 0.000 0.208 108 L C 2.627 179.462 176.870 -0.060 0.000 1.073 108 L CA 1.621 56.398 54.840 -0.105 0.000 0.745 108 L CB -0.604 41.414 42.059 -0.068 0.000 0.894 108 L HN 0.449 nan 8.230 nan 0.000 0.432 109 V N -4.309 115.585 119.914 -0.035 0.000 2.871 109 V HA -0.139 3.939 4.120 -0.071 0.000 0.256 109 V C 2.025 178.199 176.094 0.134 0.000 1.082 109 V CA 1.469 63.839 62.300 0.117 0.000 1.105 109 V CB -0.477 31.432 31.823 0.143 0.000 0.713 109 V HN 0.313 nan 8.190 nan 0.000 0.473 110 D N 2.014 122.445 120.400 0.051 0.000 2.092 110 D HA -0.089 4.508 4.640 -0.071 0.000 0.193 110 D C 2.185 178.511 176.300 0.044 0.000 0.994 110 D CA 2.148 56.192 54.000 0.074 0.000 0.828 110 D CB -0.596 40.264 40.800 0.099 0.000 0.963 110 D HN 0.504 nan 8.370 nan 0.000 0.450 111 G N 0.102 108.892 108.800 -0.016 0.000 2.402 111 G HA2 -0.116 3.802 3.960 -0.071 0.000 0.216 111 G HA3 -0.116 3.802 3.960 -0.071 0.000 0.216 111 G C 1.651 176.505 174.900 -0.077 0.000 1.162 111 G CA 1.177 46.256 45.100 -0.035 0.000 0.777 111 G HN 0.412 nan 8.290 nan 0.000 0.539 112 A N -0.419 122.307 122.820 -0.158 0.000 2.016 112 A HA 0.419 4.697 4.320 -0.071 0.000 0.217 112 A C 0.554 177.701 177.584 -0.727 0.000 1.162 112 A CA 0.483 52.254 52.037 -0.443 0.000 0.662 112 A CB -0.066 18.621 19.000 -0.522 0.000 0.812 112 A HN 0.273 nan 8.150 nan 0.000 0.450 113 F N -0.110 119.891 119.950 0.085 0.000 2.646 113 F HA 0.306 4.790 4.527 -0.071 0.000 0.336 113 F C -2.736 173.093 175.800 0.048 0.000 1.437 113 F CA -3.237 54.804 58.000 0.069 0.000 1.142 113 F CB 0.765 39.798 39.000 0.055 0.000 1.530 113 F HN -0.080 nan 8.300 nan 0.000 0.591 114 P HA 0.141 nan 4.420 nan 0.000 0.261 114 P C 1.044 178.407 177.300 0.105 0.000 1.183 114 P CA 1.169 64.326 63.100 0.095 0.000 0.761 114 P CB 0.789 32.525 31.700 0.059 0.000 0.785 115 G N 2.282 111.136 108.800 0.091 0.000 2.162 115 G HA2 -0.320 3.598 3.960 -0.071 0.000 0.260 115 G HA3 -0.320 3.598 3.960 -0.071 0.000 0.260 115 G C 0.717 175.659 174.900 0.071 0.000 0.976 115 G CA 0.131 45.274 45.100 0.071 0.000 0.655 115 G HN 0.568 nan 8.290 nan 0.000 0.533 116 c N 1.022 119.679 118.600 0.095 0.000 2.673 116 c HA 0.547 5.075 4.570 -0.071 0.000 0.274 116 c C 2.211 176.321 174.090 0.033 0.000 1.276 116 c CA 0.316 56.685 56.329 0.066 0.000 1.701 116 c CB -1.018 41.541 42.510 0.082 0.000 1.836 116 c HN 1.990 nan 8.230 nan 0.000 0.596 117 G N 1.680 110.503 108.800 0.039 0.000 2.305 117 G HA2 -0.221 3.696 3.960 -0.071 0.000 0.287 117 G HA3 -0.221 3.696 3.960 -0.071 0.000 0.287 117 G C 0.057 174.951 174.900 -0.010 0.000 1.036 117 G CA 0.388 45.498 45.100 0.016 0.000 0.887 117 G HN 0.447 nan 8.290 nan 0.000 0.505 118 V N 0.264 120.173 119.914 -0.008 0.000 2.637 118 V HA 0.544 4.621 4.120 -0.071 0.000 0.296 118 V C 1.066 177.109 176.094 -0.085 0.000 1.046 118 V CA 0.151 62.413 62.300 -0.063 0.000 1.066 118 V CB 1.142 32.925 31.823 -0.067 0.000 0.968 118 V HN 1.025 nan 8.190 nan 0.000 0.483 119 A N 5.881 128.618 122.820 -0.138 0.000 2.279 119 A HA 0.869 5.146 4.320 -0.071 0.000 0.303 119 A C -0.411 176.970 177.584 -0.338 0.000 1.108 119 A CA -0.537 51.375 52.037 -0.209 0.000 0.830 119 A CB 0.670 19.529 19.000 -0.236 0.000 1.106 119 A HN 0.949 nan 8.150 nan 0.000 0.493 120 I N -1.729 118.627 120.570 -0.357 0.000 2.910 120 I HA 0.670 4.798 4.170 -0.071 0.000 0.310 120 I C -0.401 175.400 176.117 -0.525 0.000 1.043 120 I CA -0.575 60.483 61.300 -0.403 0.000 1.053 120 I CB 1.774 39.670 38.000 -0.174 0.000 1.242 120 I HN 0.608 nan 8.210 nan 0.000 0.452 121 H N 1.781 120.778 119.070 -0.121 0.000 2.679 121 H HA 0.645 5.159 4.556 -0.071 0.000 0.367 121 H C -1.511 173.873 175.328 0.093 0.000 1.162 121 H CA -0.343 55.658 56.048 -0.079 0.000 1.181 121 H CB 2.089 31.742 29.762 -0.182 0.000 1.693 121 H HN 0.805 nan 8.280 nan 0.000 0.538 122 Y N -1.830 118.542 120.300 0.120 0.000 2.677 122 Y HA 0.605 5.112 4.550 -0.071 0.000 0.334 122 Y C -1.103 174.865 175.900 0.114 0.000 1.196 122 Y CA -1.456 56.711 58.100 0.111 0.000 1.059 122 Y CB 0.377 38.877 38.460 0.067 0.000 1.315 122 Y HN 0.726 nan 8.280 nan 0.000 0.455 123 A N 1.813 124.756 122.820 0.205 0.000 2.462 123 A HA 0.248 4.526 4.320 -0.071 0.000 0.243 123 A C 0.448 178.089 177.584 0.095 0.000 1.076 123 A CA -0.279 51.823 52.037 0.110 0.000 0.773 123 A CB -0.015 19.082 19.000 0.163 0.000 1.010 123 A HN 0.854 nan 8.150 nan 0.000 0.493 124 N N 1.675 120.386 118.700 0.019 0.000 2.459 124 N HA -0.061 4.637 4.740 -0.071 0.000 0.181 124 N C 1.090 176.656 175.510 0.093 0.000 1.046 124 N CA 1.068 54.137 53.050 0.031 0.000 0.904 124 N CB 0.083 38.567 38.487 -0.005 0.000 0.964 124 N HN 0.733 nan 8.380 nan 0.000 0.444 125 G N 0.497 109.362 108.800 0.108 0.000 2.630 125 G HA2 0.070 3.987 3.960 -0.071 0.000 0.223 125 G HA3 0.070 3.987 3.960 -0.071 0.000 0.223 125 G C 0.123 175.098 174.900 0.126 0.000 1.434 125 G CA -0.123 45.038 45.100 0.101 0.000 1.057 125 G HN -0.049 nan 8.290 nan 0.000 0.570 126 D N -0.018 120.443 120.400 0.102 0.000 2.369 126 D HA 0.393 4.990 4.640 -0.071 0.000 0.211 126 D C 0.569 176.951 176.300 0.138 0.000 1.077 126 D CA 0.295 54.356 54.000 0.101 0.000 0.842 126 D CB 0.769 41.601 40.800 0.053 0.000 0.947 126 D HN 0.420 nan 8.370 nan 0.000 0.509 127 A N 0.799 123.727 122.820 0.180 0.000 2.385 127 A HA 0.391 4.669 4.320 -0.071 0.000 0.290 127 A C -1.231 176.559 177.584 0.343 0.000 1.094 127 A CA -0.746 51.448 52.037 0.261 0.000 0.729 127 A CB 1.636 20.742 19.000 0.177 0.000 1.194 127 A HN -0.124 nan 8.150 nan 0.000 0.442 128 D N 4.173 124.768 120.400 0.325 0.000 2.256 128 D HA 0.402 4.999 4.640 -0.071 0.000 0.240 128 D C -1.798 174.489 176.300 -0.022 0.000 1.062 128 D CA -1.925 52.182 54.000 0.179 0.000 0.832 128 D CB 2.208 43.149 40.800 0.235 0.000 1.135 128 D HN 0.196 nan 8.370 nan 0.000 0.484 129 P HA -0.055 nan 4.420 nan 0.000 0.228 129 P C 1.517 178.519 177.300 -0.497 0.000 1.151 129 P CA 0.556 63.097 63.100 -0.932 0.000 0.770 129 P CB 0.487 31.549 31.700 -1.064 0.000 0.786 130 L N -3.088 117.823 121.223 -0.520 0.000 2.341 130 L HA 0.025 4.323 4.340 -0.071 0.000 0.214 130 L C 1.885 178.489 176.870 -0.443 0.000 1.115 130 L CA 0.993 55.456 54.840 -0.630 0.000 0.820 130 L CB -0.382 40.990 42.059 -1.144 0.000 0.944 130 L HN -0.092 nan 8.230 nan 0.000 0.452 131 F N -1.388 118.579 119.950 0.029 0.000 2.495 131 F HA 0.155 4.639 4.527 -0.071 0.000 0.272 131 F C 1.103 176.982 175.800 0.131 0.000 0.919 131 F CA -0.498 57.552 58.000 0.083 0.000 1.178 131 F CB -0.301 38.754 39.000 0.091 0.000 1.030 131 F HN -0.197 nan 8.300 nan 0.000 0.777 132 Q N 1.401 121.422 119.800 0.368 0.000 3.181 132 Q HA 0.152 4.449 4.340 -0.071 0.000 0.293 132 Q C 1.294 177.481 176.000 0.312 0.000 1.406 132 Q CA 0.172 56.151 55.803 0.294 0.000 1.026 132 Q CB -0.238 28.673 28.738 0.288 0.000 1.630 132 Q HN 0.437 nan 8.270 nan 0.000 0.553 133 T N -3.327 111.362 114.554 0.224 0.000 2.995 133 T HA -0.147 4.161 4.350 -0.071 0.000 0.269 133 T C 1.104 175.927 174.700 0.204 0.000 1.091 133 T CA 1.011 63.233 62.100 0.204 0.000 1.128 133 T CB 0.015 68.933 68.868 0.084 0.000 0.891 133 T HN 0.432 nan 8.240 nan 0.000 0.492 134 D N 1.002 121.479 120.400 0.129 0.000 2.378 134 D HA -0.048 4.550 4.640 -0.071 0.000 0.227 134 D C 1.389 177.710 176.300 0.036 0.000 1.012 134 D CA 0.337 54.378 54.000 0.067 0.000 0.905 134 D CB -0.211 40.605 40.800 0.026 0.000 0.895 134 D HN 0.234 nan 8.370 nan 0.000 0.532 135 K N -0.082 120.346 120.400 0.046 0.000 2.437 135 K HA 0.179 4.456 4.320 -0.071 0.000 0.198 135 K C -0.484 175.782 176.600 -0.556 0.000 1.024 135 K CA -0.163 55.986 56.287 -0.229 0.000 1.148 135 K CB -0.071 32.226 32.500 -0.338 0.000 0.860 135 K HN 0.197 nan 8.250 nan 0.000 0.515 136 F N -0.878 119.071 119.950 -0.002 0.000 2.556 136 F HA 0.337 4.822 4.527 -0.070 0.000 0.314 136 F C 1.197 176.991 175.800 -0.009 0.000 1.106 136 F CA -0.965 57.031 58.000 -0.007 0.000 0.911 136 F CB 1.531 40.524 39.000 -0.013 0.000 1.190 136 F HN -0.182 nan 8.300 nan 0.000 0.448 137 A N 2.159 125.060 122.820 0.135 0.000 1.902 137 A HA -0.020 4.258 4.320 -0.071 0.000 0.217 137 A C 2.160 179.788 177.584 0.074 0.000 1.181 137 A CA 2.027 54.107 52.037 0.073 0.000 0.623 137 A CB -0.980 18.049 19.000 0.047 0.000 0.818 137 A HN 0.877 nan 8.150 nan 0.000 0.443 138 A N -0.699 122.173 122.820 0.086 0.000 2.121 138 A HA 0.061 4.339 4.320 -0.071 0.000 0.218 138 A C 1.857 179.459 177.584 0.030 0.000 1.154 138 A CA 1.942 54.007 52.037 0.047 0.000 0.679 138 A CB -0.728 18.289 19.000 0.029 0.000 0.795 138 A HN 0.813 nan 8.150 nan 0.000 0.458 139 T N -3.238 111.349 114.554 0.054 0.000 3.252 139 T HA 0.394 4.702 4.350 -0.071 0.000 0.286 139 T C 0.130 174.843 174.700 0.022 0.000 1.013 139 T CA -0.375 61.739 62.100 0.023 0.000 0.914 139 T CB -0.001 68.880 68.868 0.023 0.000 1.131 139 T HN 0.366 nan 8.240 nan 0.000 0.529 140 Q N 2.409 122.226 119.800 0.028 0.000 2.222 140 Q HA 0.499 4.797 4.340 -0.071 0.000 0.252 140 Q C -0.031 175.973 176.000 0.007 0.000 0.926 140 Q CA -0.644 55.172 55.803 0.022 0.000 0.899 140 Q CB 1.485 30.242 28.738 0.032 0.000 1.250 140 Q HN 0.555 nan 8.270 nan 0.000 0.441 141 T N -1.135 113.424 114.554 0.008 0.000 2.899 141 T HA 0.130 4.438 4.350 -0.071 0.000 0.295 141 T C -0.222 174.567 174.700 0.148 0.000 1.033 141 T CA -0.917 61.224 62.100 0.067 0.000 1.084 141 T CB 0.889 69.814 68.868 0.095 0.000 0.979 141 T HN 0.508 nan 8.240 nan 0.000 0.532 142 D N 2.456 123.015 120.400 0.266 0.000 2.325 142 D HA 0.280 4.877 4.640 -0.071 0.000 0.251 142 D C -1.477 174.887 176.300 0.107 0.000 1.196 142 D CA -2.137 51.954 54.000 0.151 0.000 0.866 142 D CB 1.052 41.923 40.800 0.117 0.000 1.101 142 D HN 0.134 nan 8.370 nan 0.000 0.476 143 P HA -0.260 nan 4.420 nan 0.000 0.217 143 P C 0.911 178.214 177.300 0.005 0.000 1.158 143 P CA 2.036 65.156 63.100 0.032 0.000 0.887 143 P CB 0.103 31.812 31.700 0.015 0.000 0.792 144 A N -0.529 122.282 122.820 -0.015 0.000 1.902 144 A HA -0.204 4.074 4.320 -0.071 0.000 0.217 144 A C 2.245 179.774 177.584 -0.093 0.000 1.181 144 A CA 1.423 53.434 52.037 -0.043 0.000 0.623 144 A CB -0.882 18.093 19.000 -0.041 0.000 0.818 144 A HN 0.022 nan 8.150 nan 0.000 0.443 145 R N -0.491 119.919 120.500 -0.150 0.000 2.096 145 R HA -0.167 4.131 4.340 -0.071 0.000 0.235 145 R C 2.361 178.420 176.300 -0.402 0.000 1.127 145 R CA 1.753 57.625 56.100 -0.380 0.000 0.968 145 R CB -0.696 29.225 30.300 -0.631 0.000 0.861 145 R HN 0.813 nan 8.270 nan 0.000 0.440 146 Q N 1.027 120.760 119.800 -0.113 0.000 2.046 146 Q HA -0.129 4.168 4.340 -0.071 0.000 0.200 146 Q C 2.061 178.067 176.000 0.010 0.000 0.975 146 Q CA 1.212 57.063 55.803 0.080 0.000 0.836 146 Q CB -0.350 28.504 28.738 0.194 0.000 0.896 146 Q HN 0.176 nan 8.270 nan 0.000 0.428 147 L N 0.432 121.647 121.223 -0.013 0.000 2.043 147 L HA -0.143 4.154 4.340 -0.071 0.000 0.212 147 L C 2.173 179.020 176.870 -0.037 0.000 1.075 147 L CA 2.395 57.223 54.840 -0.021 0.000 0.752 147 L CB -0.997 41.049 42.059 -0.021 0.000 0.891 147 L HN 0.359 nan 8.230 nan 0.000 0.432 148 A N -0.954 121.823 122.820 -0.072 0.000 1.897 148 A HA 0.037 4.314 4.320 -0.071 0.000 0.215 148 A C 2.433 179.981 177.584 -0.060 0.000 1.181 148 A CA 1.440 53.436 52.037 -0.069 0.000 0.620 148 A CB -1.054 17.890 19.000 -0.093 0.000 0.821 148 A HN 0.545 nan 8.150 nan 0.000 0.443 149 A N -0.404 122.367 122.820 -0.081 0.000 1.902 149 A HA -0.006 4.272 4.320 -0.071 0.000 0.217 149 A C 2.235 179.823 177.584 0.007 0.000 1.181 149 A CA 1.828 53.845 52.037 -0.032 0.000 0.623 149 A CB -0.961 18.038 19.000 -0.001 0.000 0.818 149 A HN 0.356 nan 8.150 nan 0.000 0.443 150 V N 0.158 120.079 119.914 0.012 0.000 2.261 150 V HA -0.293 3.785 4.120 -0.071 0.000 0.246 150 V C 2.475 178.572 176.094 0.005 0.000 1.047 150 V CA 2.404 64.710 62.300 0.009 0.000 1.015 150 V CB -0.723 31.101 31.823 0.002 0.000 0.642 150 V HN 0.542 nan 8.190 nan 0.000 0.446 151 K N -0.167 120.232 120.400 -0.001 0.000 2.074 151 K HA -0.277 4.001 4.320 -0.071 0.000 0.209 151 K C 2.237 178.841 176.600 0.007 0.000 1.048 151 K CA 2.077 58.367 56.287 0.004 0.000 0.926 151 K CB -0.212 32.286 32.500 -0.003 0.000 0.713 151 K HN 0.694 nan 8.250 nan 0.000 0.444 152 E N 1.209 121.409 120.200 0.000 0.000 2.107 152 E HA -0.201 4.107 4.350 -0.071 0.000 0.191 152 E C 1.990 178.597 176.600 0.012 0.000 0.982 152 E CA 1.052 57.453 56.400 0.003 0.000 0.809 152 E CB 0.098 29.794 29.700 -0.007 0.000 0.756 152 E HN 0.136 nan 8.360 nan 0.000 0.459 153 K N 0.260 120.669 120.400 0.015 0.000 2.103 153 K HA -0.049 4.229 4.320 -0.071 0.000 0.204 153 K C 2.105 178.721 176.600 0.027 0.000 1.052 153 K CA 0.931 57.230 56.287 0.020 0.000 0.945 153 K CB -0.142 32.370 32.500 0.021 0.000 0.722 153 K HN 0.177 nan 8.250 nan 0.000 0.443 154 A N 0.924 123.761 122.820 0.028 0.000 1.883 154 A HA 0.001 4.279 4.320 -0.071 0.000 0.217 154 A C 1.477 179.092 177.584 0.051 0.000 1.186 154 A CA 2.017 54.081 52.037 0.045 0.000 0.624 154 A CB -1.305 17.722 19.000 0.045 0.000 0.822 154 A HN 0.634 nan 8.150 nan 0.000 0.444 155 G N -0.649 108.174 108.800 0.038 0.000 2.550 155 G HA2 -0.309 3.608 3.960 -0.071 0.000 0.277 155 G HA3 -0.309 3.608 3.960 -0.071 0.000 0.277 155 G C -0.123 174.801 174.900 0.041 0.000 1.190 155 G CA 0.477 45.596 45.100 0.033 0.000 0.971 155 G HN 0.913 nan 8.290 nan 0.000 0.559 156 D N 1.121 121.544 120.400 0.038 0.000 2.352 156 D HA 0.455 5.052 4.640 -0.071 0.000 0.245 156 D C 1.691 178.025 176.300 0.055 0.000 1.224 156 D CA -0.110 53.911 54.000 0.036 0.000 0.879 156 D CB 0.461 41.273 40.800 0.020 0.000 1.057 156 D HN 0.380 nan 8.370 nan 0.000 0.491 157 L N 3.494 124.764 121.223 0.079 0.000 2.131 157 L HA -0.022 4.276 4.340 -0.071 0.000 0.206 157 L C 2.432 179.338 176.870 0.059 0.000 1.087 157 L CA 0.882 55.810 54.840 0.145 0.000 0.767 157 L CB -0.282 41.907 42.059 0.216 0.000 0.917 157 L HN 0.522 nan 8.230 nan 0.000 0.441 158 A N -0.176 122.640 122.820 -0.007 0.000 1.903 158 A HA -0.349 3.929 4.320 -0.071 0.000 0.219 158 A C 2.244 179.758 177.584 -0.117 0.000 1.191 158 A CA 2.401 54.383 52.037 -0.093 0.000 0.638 158 A CB -0.633 18.334 19.000 -0.055 0.000 0.823 158 A HN 0.540 nan 8.150 nan 0.000 0.451 159 Q N -1.074 118.693 119.800 -0.054 0.000 2.245 159 Q HA -0.069 4.228 4.340 -0.071 0.000 0.201 159 Q C 2.244 178.217 176.000 -0.045 0.000 0.955 159 Q CA 0.759 56.533 55.803 -0.048 0.000 0.870 159 Q CB -0.045 28.683 28.738 -0.016 0.000 0.945 159 Q HN 0.678 nan 8.270 nan 0.000 0.461 160 R N 0.095 120.590 120.500 -0.007 0.000 2.070 160 R HA -0.124 4.174 4.340 -0.071 0.000 0.233 160 R C 2.499 178.735 176.300 -0.108 0.000 1.137 160 R CA 1.646 57.776 56.100 0.051 0.000 0.945 160 R CB -0.281 30.148 30.300 0.215 0.000 0.845 160 R HN 0.195 nan 8.270 nan 0.000 0.430 161 R N 0.537 120.758 120.500 -0.465 0.000 2.091 161 R HA -0.217 4.080 4.340 -0.071 0.000 0.238 161 R C 2.259 178.262 176.300 -0.495 0.000 1.136 161 R CA 1.811 57.280 56.100 -1.052 0.000 0.959 161 R CB -0.051 29.424 30.300 -1.374 0.000 0.856 161 R HN 0.087 nan 8.270 nan 0.000 0.437 162 Q N 0.264 119.893 119.800 -0.286 0.000 2.079 162 Q HA -0.043 4.255 4.340 -0.071 0.000 0.200 162 Q C 1.795 177.735 176.000 -0.099 0.000 0.974 162 Q CA 2.130 57.835 55.803 -0.164 0.000 0.840 162 Q CB -0.341 28.329 28.738 -0.113 0.000 0.898 162 Q HN 0.411 nan 8.270 nan 0.000 0.430 163 A N -0.284 122.494 122.820 -0.070 0.000 2.024 163 A HA -0.100 4.178 4.320 -0.071 0.000 0.220 163 A C 1.804 179.389 177.584 0.002 0.000 1.164 163 A CA 1.228 53.253 52.037 -0.019 0.000 0.643 163 A CB -0.468 18.537 19.000 0.008 0.000 0.806 163 A HN 0.437 nan 8.150 nan 0.000 0.451 164 L N -1.315 119.902 121.223 -0.011 0.000 2.607 164 L HA 0.150 4.447 4.340 -0.071 0.000 0.228 164 L C 2.579 179.475 176.870 0.042 0.000 1.123 164 L CA 0.342 55.218 54.840 0.059 0.000 0.890 164 L CB -0.098 42.067 42.059 0.177 0.000 1.103 164 L HN 0.398 nan 8.230 nan 0.000 0.468 165 A N 1.443 124.252 122.820 -0.018 0.000 1.892 165 A HA -0.156 4.122 4.320 -0.071 0.000 0.218 165 A C -0.228 177.376 177.584 0.034 0.000 1.188 165 A CA 1.785 53.819 52.037 -0.006 0.000 0.631 165 A CB -1.633 17.346 19.000 -0.036 0.000 0.822 165 A HN 0.276 nan 8.150 nan 0.000 0.447 166 P HA -0.082 nan 4.420 nan 0.000 0.217 166 P C 1.446 178.781 177.300 0.057 0.000 1.150 166 P CA 1.743 64.863 63.100 0.033 0.000 0.832 166 P CB -0.236 31.479 31.700 0.024 0.000 0.787 167 T N -0.486 114.117 114.554 0.081 0.000 2.812 167 T HA -0.021 4.287 4.350 -0.071 0.000 0.264 167 T C 1.739 176.533 174.700 0.157 0.000 1.042 167 T CA 0.863 63.029 62.100 0.109 0.000 1.140 167 T CB -0.827 68.112 68.868 0.119 0.000 0.870 167 T HN 0.054 nan 8.240 nan 0.000 0.445 168 I N 1.242 121.927 120.570 0.192 0.000 2.248 168 I HA -0.232 3.896 4.170 -0.071 0.000 0.248 168 I C 2.773 179.024 176.117 0.223 0.000 1.107 168 I CA 1.192 62.663 61.300 0.285 0.000 1.373 168 I CB -0.399 37.779 38.000 0.296 0.000 1.055 168 I HN 0.191 nan 8.210 nan 0.000 0.418 169 Q N 1.469 121.335 119.800 0.110 0.000 2.016 169 Q HA -0.135 4.163 4.340 -0.071 0.000 0.200 169 Q C 2.178 178.179 176.000 0.003 0.000 0.978 169 Q CA 1.782 57.600 55.803 0.025 0.000 0.833 169 Q CB -0.580 28.167 28.738 0.015 0.000 0.895 169 Q HN 0.475 nan 8.270 nan 0.000 0.427 170 L N -0.036 121.209 121.223 0.037 0.000 2.043 170 L HA -0.226 4.072 4.340 -0.071 0.000 0.212 170 L C 2.304 179.208 176.870 0.055 0.000 1.075 170 L CA 1.088 55.949 54.840 0.035 0.000 0.752 170 L CB -0.657 41.429 42.059 0.046 0.000 0.891 170 L HN 0.292 nan 8.230 nan 0.000 0.432 171 L N 0.037 121.331 121.223 0.118 0.000 2.072 171 L HA -0.181 4.116 4.340 -0.071 0.000 0.205 171 L C 2.552 179.462 176.870 0.068 0.000 1.079 171 L CA 1.745 56.702 54.840 0.195 0.000 0.752 171 L CB -0.627 41.656 42.059 0.373 0.000 0.906 171 L HN 0.138 nan 8.230 nan 0.000 0.436 172 K N -0.673 119.590 120.400 -0.228 0.000 2.032 172 K HA -0.265 4.013 4.320 -0.071 0.000 0.209 172 K C 2.064 178.459 176.600 -0.342 0.000 1.048 172 K CA 2.135 57.948 56.287 -0.789 0.000 0.927 172 K CB -0.226 31.653 32.500 -1.035 0.000 0.712 172 K HN 0.504 nan 8.250 nan 0.000 0.441 173 Q N -0.296 119.398 119.800 -0.177 0.000 2.152 173 Q HA -0.170 4.128 4.340 -0.071 0.000 0.206 173 Q C 2.060 178.032 176.000 -0.047 0.000 0.985 173 Q CA 1.751 57.495 55.803 -0.098 0.000 0.863 173 Q CB -0.175 28.532 28.738 -0.052 0.000 0.904 173 Q HN 0.479 nan 8.270 nan 0.000 0.422 174 A N 0.189 123.010 122.820 0.002 0.000 1.929 174 A HA -0.070 4.207 4.320 -0.071 0.000 0.216 174 A C 2.092 179.746 177.584 0.116 0.000 1.176 174 A CA 1.503 53.584 52.037 0.072 0.000 0.628 174 A CB -0.141 18.924 19.000 0.107 0.000 0.816 174 A HN 0.323 nan 8.150 nan 0.000 0.444 175 V N -4.833 115.132 119.914 0.086 0.000 3.635 175 V HA 0.232 4.310 4.120 -0.071 0.000 0.266 175 V C 0.701 176.749 176.094 -0.077 0.000 1.316 175 V CA -0.339 62.033 62.300 0.121 0.000 1.060 175 V CB -0.925 31.140 31.823 0.405 0.000 0.820 175 V HN 0.333 nan 8.190 nan 0.000 0.447 176 c N 3.394 121.918 118.600 -0.127 0.000 2.452 176 c HA 0.540 5.068 4.570 -0.071 0.000 0.379 176 c C 0.594 174.552 174.090 -0.221 0.000 1.275 176 c CA -0.648 55.589 56.329 -0.153 0.000 2.056 176 c CB 0.392 42.799 42.510 -0.173 0.000 2.506 176 c HN 0.718 nan 8.230 nan 0.000 0.560 177 Q N 2.500 122.151 119.800 -0.248 0.000 2.327 177 Q HA 0.506 4.803 4.340 -0.071 0.000 0.254 177 Q C 0.004 175.914 176.000 -0.150 0.000 0.952 177 Q CA -0.378 55.278 55.803 -0.245 0.000 0.884 177 Q CB 0.448 29.021 28.738 -0.276 0.000 1.224 177 Q HN 0.804 nan 8.270 nan 0.000 0.422 178 A N 2.746 125.488 122.820 -0.129 0.000 2.573 178 A HA -0.033 4.244 4.320 -0.071 0.000 0.250 178 A C 0.157 177.699 177.584 -0.071 0.000 1.049 178 A CA 0.720 52.704 52.037 -0.089 0.000 0.767 178 A CB -0.698 18.257 19.000 -0.074 0.000 0.965 178 A HN 1.024 nan 8.150 nan 0.000 0.514 179 D N -1.011 119.355 120.400 -0.057 0.000 2.614 179 D HA -0.175 4.423 4.640 -0.071 0.000 0.182 179 D C 0.388 176.666 176.300 -0.036 0.000 1.067 179 D CA 2.363 56.339 54.000 -0.041 0.000 1.053 179 D CB -0.696 40.082 40.800 -0.036 0.000 1.117 179 D HN 0.723 nan 8.370 nan 0.000 0.438 180 K N 1.088 121.459 120.400 -0.047 0.000 2.202 180 K HA 0.373 4.651 4.320 -0.071 0.000 0.264 180 K C -2.309 174.282 176.600 -0.015 0.000 1.010 180 K CA -1.353 54.914 56.287 -0.033 0.000 0.940 180 K CB 0.724 33.194 32.500 -0.049 0.000 0.983 180 K HN -0.036 nan 8.250 nan 0.000 0.475 181 P HA 0.218 nan 4.420 nan 0.000 0.278 181 P C -0.866 176.469 177.300 0.059 0.000 1.258 181 P CA -0.556 62.561 63.100 0.029 0.000 0.811 181 P CB 0.967 32.686 31.700 0.032 0.000 1.063 182 c N 3.085 121.747 118.600 0.104 0.000 3.287 182 c HA 0.261 4.789 4.570 -0.071 0.000 0.260 182 c C -1.029 173.206 174.090 0.241 0.000 1.133 182 c CA -1.408 55.037 56.329 0.194 0.000 1.402 182 c CB 0.029 42.676 42.510 0.229 0.000 1.832 182 c HN 0.509 nan 8.230 nan 0.000 0.509 183 P HA -0.122 nan 4.420 nan 0.000 0.216 183 P C 1.600 178.961 177.300 0.102 0.000 1.153 183 P CA 1.222 64.389 63.100 0.112 0.000 0.848 183 P CB 0.343 32.086 31.700 0.072 0.000 0.787 184 I N -0.617 119.979 120.570 0.044 0.000 2.185 184 I HA -0.267 3.860 4.170 -0.071 0.000 0.246 184 I C 1.955 177.978 176.117 -0.157 0.000 1.088 184 I CA 1.645 62.880 61.300 -0.109 0.000 1.347 184 I CB -0.680 37.157 38.000 -0.272 0.000 1.041 184 I HN -0.249 nan 8.210 nan 0.000 0.415 185 F N 0.133 120.156 119.950 0.122 0.000 2.771 185 F HA -0.101 4.384 4.527 -0.071 0.000 0.299 185 F C 1.919 177.775 175.800 0.093 0.000 1.177 185 F CA 0.612 58.688 58.000 0.126 0.000 1.450 185 F CB -0.432 38.626 39.000 0.097 0.000 1.114 185 F HN 0.157 nan 8.300 nan 0.000 0.587 186 D N -1.073 119.437 120.400 0.182 0.000 2.394 186 D HA -0.009 4.588 4.640 -0.071 0.000 0.226 186 D C 1.234 177.588 176.300 0.089 0.000 0.990 186 D CA 0.795 54.867 54.000 0.119 0.000 0.902 186 D CB -0.471 40.390 40.800 0.102 0.000 1.038 186 D HN 0.125 nan 8.370 nan 0.000 0.499 187 T N 1.191 115.801 114.554 0.093 0.000 2.946 187 T HA 0.210 4.518 4.350 -0.071 0.000 0.311 187 T C -2.517 172.272 174.700 0.148 0.000 1.063 187 T CA -1.074 61.086 62.100 0.100 0.000 1.139 187 T CB 1.243 70.162 68.868 0.086 0.000 0.994 187 T HN -0.193 nan 8.240 nan 0.000 0.547 188 P HA 0.380 nan 4.420 nan 0.000 0.281 188 P C -0.891 176.605 177.300 0.326 0.000 1.281 188 P CA -0.850 62.321 63.100 0.118 0.000 0.811 188 P CB 0.431 32.156 31.700 0.041 0.000 1.154 189 W N 1.378 122.674 121.300 -0.006 0.000 2.335 189 W HA 0.447 5.065 4.660 -0.071 0.000 0.307 189 W C 0.540 177.054 176.519 -0.009 0.000 1.117 189 W CA -0.030 57.308 57.345 -0.011 0.000 1.228 189 W CB 0.034 29.490 29.460 -0.007 0.000 1.240 189 W HN 0.159 nan 8.180 nan 0.000 0.468 190 R N 1.513 122.113 120.500 0.167 0.000 2.771 190 R HA 0.590 4.888 4.340 -0.071 0.000 0.274 190 R C -1.143 175.177 176.300 0.034 0.000 0.987 190 R CA -1.282 54.871 56.100 0.088 0.000 0.908 190 R CB 2.262 32.598 30.300 0.060 0.000 1.213 190 R HN 0.048 nan 8.270 nan 0.000 0.468 191 V N 1.973 121.900 119.914 0.022 0.000 2.530 191 V HA 0.206 4.283 4.120 -0.071 0.000 0.282 191 V C 0.234 176.322 176.094 -0.009 0.000 1.048 191 V CA 0.122 62.420 62.300 -0.004 0.000 0.997 191 V CB 1.051 32.874 31.823 0.000 0.000 0.987 191 V HN 0.695 nan 8.190 nan 0.000 0.477 192 E N 2.847 123.033 120.200 -0.024 0.000 2.369 192 E HA 0.595 4.902 4.350 -0.071 0.000 0.270 192 E C -1.136 175.448 176.600 -0.026 0.000 0.909 192 E CA -0.822 55.565 56.400 -0.022 0.000 0.775 192 E CB 2.818 32.501 29.700 -0.028 0.000 1.270 192 E HN 0.677 nan 8.360 nan 0.000 0.445 193 Q N 1.675 121.462 119.800 -0.022 0.000 2.269 193 Q HA 0.289 4.587 4.340 -0.071 0.000 0.263 193 Q C -1.065 174.923 176.000 -0.020 0.000 0.983 193 Q CA -0.462 55.328 55.803 -0.020 0.000 0.777 193 Q CB 1.554 30.284 28.738 -0.014 0.000 1.273 193 Q HN 0.648 nan 8.270 nan 0.000 0.440 194 S N 2.482 118.167 115.700 -0.024 0.000 2.617 194 S HA 0.136 4.564 4.470 -0.071 0.000 0.259 194 S C 0.899 175.488 174.600 -0.017 0.000 1.301 194 S CA -0.154 58.032 58.200 -0.022 0.000 0.984 194 S CB 1.164 64.347 63.200 -0.028 0.000 0.954 194 S HN 0.805 nan 8.310 nan 0.000 0.572 195 K N 0.761 121.151 120.400 -0.017 0.000 2.211 195 K HA -0.059 4.219 4.320 -0.071 0.000 0.203 195 K C 1.941 178.533 176.600 -0.013 0.000 1.050 195 K CA 1.551 57.830 56.287 -0.014 0.000 0.945 195 K CB -0.646 31.846 32.500 -0.014 0.000 0.732 195 K HN 0.722 nan 8.250 nan 0.000 0.451 196 S N -1.291 114.400 115.700 -0.016 0.000 2.607 196 S HA 0.156 4.583 4.470 -0.071 0.000 0.224 196 S C 1.401 175.995 174.600 -0.010 0.000 0.969 196 S CA 0.262 58.453 58.200 -0.015 0.000 0.927 196 S CB -0.104 63.083 63.200 -0.020 0.000 0.772 196 S HN 0.522 nan 8.310 nan 0.000 0.533 197 G N 1.059 109.854 108.800 -0.009 0.000 2.175 197 G HA2 -0.259 3.658 3.960 -0.071 0.000 0.244 197 G HA3 -0.259 3.658 3.960 -0.071 0.000 0.244 197 G C -0.054 174.844 174.900 -0.003 0.000 0.982 197 G CA -0.077 45.022 45.100 -0.001 0.000 0.641 197 G HN 0.553 nan 8.290 nan 0.000 0.527 198 K N 1.947 122.338 120.400 -0.015 0.000 2.447 198 K HA 0.396 4.674 4.320 -0.071 0.000 0.281 198 K C 0.813 177.395 176.600 -0.030 0.000 1.031 198 K CA 0.916 57.187 56.287 -0.026 0.000 1.019 198 K CB 0.507 32.983 32.500 -0.039 0.000 0.918 198 K HN 0.431 nan 8.250 nan 0.000 0.476 199 T N -0.217 114.317 114.554 -0.032 0.000 2.859 199 T HA 0.517 4.825 4.350 -0.071 0.000 0.281 199 T C 0.027 174.690 174.700 -0.062 0.000 1.005 199 T CA -0.798 61.280 62.100 -0.037 0.000 1.025 199 T CB 1.578 70.432 68.868 -0.023 0.000 0.977 199 T HN 0.609 nan 8.240 nan 0.000 0.458 200 T N 0.000 114.512 114.554 -0.070 0.000 2.841 200 T HA 0.669 4.977 4.350 -0.071 0.000 0.296 200 T C -0.810 173.826 174.700 -0.108 0.000 1.166 200 T CA -1.104 60.935 62.100 -0.101 0.000 1.007 200 T CB 1.297 70.102 68.868 -0.106 0.000 1.253 200 T HN 0.613 nan 8.240 nan 0.000 0.511 201 I N 2.932 123.405 120.570 -0.161 0.000 2.330 201 I HA 0.307 4.435 4.170 -0.071 0.000 0.289 201 I C 1.067 177.038 176.117 -0.242 0.000 1.001 201 I CA -0.625 60.561 61.300 -0.191 0.000 1.193 201 I CB 0.853 38.688 38.000 -0.276 0.000 1.345 201 I HN 1.013 nan 8.210 nan 0.000 0.461 202 S N 4.189 119.803 115.700 -0.142 0.000 2.558 202 S HA 0.306 4.734 4.470 -0.071 0.000 0.291 202 S C 1.280 175.755 174.600 -0.207 0.000 1.306 202 S CA 0.291 58.422 58.200 -0.115 0.000 1.056 202 S CB 0.942 64.134 63.200 -0.012 0.000 0.836 202 S HN 1.241 nan 8.310 nan 0.000 0.504 203 G N 2.577 111.269 108.800 -0.179 0.000 4.655 203 G HA2 -0.374 3.544 3.960 -0.071 0.000 0.220 203 G HA3 -0.374 3.544 3.960 -0.071 0.000 0.220 203 G C 0.715 175.354 174.900 -0.435 0.000 1.403 203 G CA 0.638 45.626 45.100 -0.188 0.000 0.931 203 G HN 1.408 nan 8.290 nan 0.000 0.654 204 L N 1.551 122.183 121.223 -0.985 0.000 2.046 204 L HA 0.184 4.482 4.340 -0.071 0.000 0.208 204 L C 2.782 179.363 176.870 -0.481 0.000 1.077 204 L CA 3.334 57.563 54.840 -1.019 0.000 0.747 204 L CB -0.644 40.423 42.059 -1.653 0.000 0.896 204 L HN 0.423 nan 8.230 nan 0.000 0.432 205 S N -0.843 114.630 115.700 -0.379 0.000 2.356 205 S HA -0.144 4.284 4.470 -0.071 0.000 0.223 205 S C 1.903 176.400 174.600 -0.173 0.000 1.032 205 S CA 1.515 59.574 58.200 -0.234 0.000 1.005 205 S CB -0.477 62.605 63.200 -0.196 0.000 0.867 205 S HN 0.367 nan 8.310 nan 0.000 0.449 206 V N 1.962 121.770 119.914 -0.176 0.000 2.548 206 V HA -0.096 3.982 4.120 -0.071 0.000 0.249 206 V C 2.164 178.191 176.094 -0.113 0.000 1.055 206 V CA 1.365 63.583 62.300 -0.137 0.000 1.065 206 V CB -0.643 31.101 31.823 -0.133 0.000 0.681 206 V HN 0.461 nan 8.190 nan 0.000 0.462 207 M N -0.052 119.467 119.600 -0.136 0.000 2.117 207 M HA -0.148 4.290 4.480 -0.071 0.000 0.262 207 M C 2.388 178.693 176.300 0.009 0.000 1.065 207 M CA 2.076 57.345 55.300 -0.052 0.000 1.114 207 M CB -0.546 32.028 32.600 -0.043 0.000 1.361 207 M HN 0.400 nan 8.290 nan 0.000 0.408 208 A N 0.950 123.748 122.820 -0.036 0.000 1.933 208 A HA -0.187 4.091 4.320 -0.071 0.000 0.218 208 A C 1.704 179.308 177.584 0.033 0.000 1.175 208 A CA 2.095 54.142 52.037 0.018 0.000 0.628 208 A CB -1.154 17.848 19.000 0.004 0.000 0.814 208 A HN 0.627 nan 8.150 nan 0.000 0.444 209 N N -0.577 118.112 118.700 -0.019 0.000 2.223 209 N HA -0.141 4.557 4.740 -0.071 0.000 0.185 209 N C 1.804 177.296 175.510 -0.030 0.000 1.016 209 N CA 1.617 54.644 53.050 -0.037 0.000 0.863 209 N CB -0.288 38.140 38.487 -0.098 0.000 0.983 209 N HN 0.497 nan 8.380 nan 0.000 0.429 210 M N 0.237 119.838 119.600 0.003 0.000 2.099 210 M HA -0.119 4.319 4.480 -0.071 0.000 0.262 210 M C 2.096 178.533 176.300 0.228 0.000 1.067 210 M CA 1.138 56.498 55.300 0.099 0.000 1.124 210 M CB -0.191 32.569 32.600 0.267 0.000 1.353 210 M HN 0.006 nan 8.290 nan 0.000 0.410 211 V N 0.291 120.322 119.914 0.194 0.000 2.295 211 V HA -0.260 3.817 4.120 -0.071 0.000 0.246 211 V C 2.293 178.498 176.094 0.185 0.000 1.049 211 V CA 2.208 64.627 62.300 0.197 0.000 1.024 211 V CB -0.772 31.145 31.823 0.156 0.000 0.648 211 V HN 0.435 nan 8.190 nan 0.000 0.447 212 E N 0.594 120.880 120.200 0.144 0.000 2.097 212 E HA -0.216 4.091 4.350 -0.071 0.000 0.196 212 E C 2.178 178.883 176.600 0.175 0.000 1.000 212 E CA 2.349 58.833 56.400 0.140 0.000 0.804 212 E CB -0.542 29.221 29.700 0.105 0.000 0.740 212 E HN 0.626 nan 8.360 nan 0.000 0.454 213 T N 0.655 115.313 114.554 0.173 0.000 2.812 213 T HA -0.035 4.273 4.350 -0.071 0.000 0.264 213 T C 1.894 176.839 174.700 0.408 0.000 1.042 213 T CA 1.130 63.377 62.100 0.246 0.000 1.140 213 T CB -0.243 68.727 68.868 0.169 0.000 0.870 213 T HN 0.116 nan 8.240 nan 0.000 0.445 214 L N 0.978 122.449 121.223 0.413 0.000 2.042 214 L HA -0.133 4.165 4.340 -0.071 0.000 0.210 214 L C 2.970 180.035 176.870 0.324 0.000 1.076 214 L CA 1.321 56.377 54.840 0.360 0.000 0.749 214 L CB -0.608 41.637 42.059 0.311 0.000 0.893 214 L HN 0.134 nan 8.230 nan 0.000 0.432 215 R N 1.127 121.799 120.500 0.287 0.000 2.075 215 R HA -0.126 4.171 4.340 -0.071 0.000 0.232 215 R C 2.169 178.684 176.300 0.357 0.000 1.126 215 R CA 1.486 57.764 56.100 0.297 0.000 0.963 215 R CB -0.483 29.968 30.300 0.251 0.000 0.858 215 R HN 0.372 nan 8.270 nan 0.000 0.435 216 L N 0.007 121.437 121.223 0.345 0.000 2.046 216 L HA -0.075 4.222 4.340 -0.071 0.000 0.208 216 L C 2.671 179.834 176.870 0.489 0.000 1.077 216 L CA 1.498 56.577 54.840 0.398 0.000 0.747 216 L CB -0.920 41.349 42.059 0.351 0.000 0.896 216 L HN 0.366 nan 8.230 nan 0.000 0.432 217 G N -0.530 108.556 108.800 0.477 0.000 2.446 217 G HA2 -0.307 3.611 3.960 -0.071 0.000 0.217 217 G HA3 -0.307 3.611 3.960 -0.071 0.000 0.217 217 G C 1.394 176.289 174.900 -0.009 0.000 1.168 217 G CA 0.528 45.679 45.100 0.086 0.000 0.771 217 G HN 0.507 nan 8.290 nan 0.000 0.551 218 W N 1.632 122.931 121.300 -0.001 0.000 2.333 218 W HA -0.153 4.464 4.660 -0.071 0.000 0.316 218 W C 2.437 178.939 176.519 -0.029 0.000 1.215 218 W CA 1.838 59.167 57.345 -0.027 0.000 1.278 218 W CB -0.529 28.946 29.460 0.024 0.000 1.154 218 W HN 0.297 nan 8.180 nan 0.000 0.486 219 S N 0.496 116.330 115.700 0.224 0.000 2.419 219 S HA -0.266 4.162 4.470 -0.071 0.000 0.233 219 S C 1.379 175.954 174.600 -0.042 0.000 1.016 219 S CA 1.896 60.198 58.200 0.170 0.000 0.974 219 S CB -0.434 62.943 63.200 0.296 0.000 0.786 219 S HN 0.347 nan 8.310 nan 0.000 0.492 220 E N 2.081 122.196 120.200 -0.142 0.000 2.347 220 E HA -0.116 4.192 4.350 -0.071 0.000 0.196 220 E C 0.657 176.676 176.600 -0.968 0.000 1.008 220 E CA 0.584 56.738 56.400 -0.410 0.000 0.852 220 E CB -0.335 29.247 29.700 -0.196 0.000 0.783 220 E HN 0.331 nan 8.360 nan 0.000 0.505 221 N N -0.476 117.773 118.700 -0.752 0.000 2.747 221 N HA -0.196 4.501 4.740 -0.071 0.000 0.249 221 N C -1.093 174.091 175.510 -0.542 0.000 1.107 221 N CA 0.650 53.303 53.050 -0.662 0.000 0.707 221 N CB -1.792 36.349 38.487 -0.577 0.000 1.054 221 N HN 0.302 nan 8.380 nan 0.000 0.555 222 L N 0.040 120.925 121.223 -0.563 0.000 2.543 222 L HA 0.087 4.384 4.340 -0.071 0.000 0.285 222 L C -1.237 175.392 176.870 -0.402 0.000 1.236 222 L CA -0.949 53.580 54.840 -0.519 0.000 0.871 222 L CB -0.059 41.628 42.059 -0.620 0.000 1.121 222 L HN 0.133 nan 8.230 nan 0.000 0.501 223 P HA -0.012 nan 4.420 nan 0.000 0.265 223 P C 0.906 178.066 177.300 -0.234 0.000 1.193 223 P CA -0.046 62.903 63.100 -0.251 0.000 0.765 223 P CB 0.456 32.035 31.700 -0.203 0.000 0.823 224 L N 2.077 123.196 121.223 -0.174 0.000 2.064 224 L HA -0.307 3.991 4.340 -0.071 0.000 0.216 224 L C 2.215 179.002 176.870 -0.138 0.000 1.077 224 L CA 2.550 57.324 54.840 -0.109 0.000 0.766 224 L CB -1.424 40.612 42.059 -0.039 0.000 0.890 224 L HN 0.453 nan 8.230 nan 0.000 0.435 225 S N -1.200 114.418 115.700 -0.137 0.000 2.507 225 S HA -0.175 4.253 4.470 -0.071 0.000 0.235 225 S C 1.627 176.065 174.600 -0.270 0.000 0.988 225 S CA 0.780 58.896 58.200 -0.141 0.000 0.944 225 S CB -0.157 62.991 63.200 -0.086 0.000 0.762 225 S HN 0.566 nan 8.310 nan 0.000 0.526 226 Q N -0.411 119.194 119.800 -0.325 0.000 2.247 226 Q HA 0.385 4.683 4.340 -0.071 0.000 0.211 226 Q C 1.439 177.120 176.000 -0.532 0.000 0.861 226 Q CA -0.125 55.417 55.803 -0.435 0.000 0.949 226 Q CB 0.328 28.857 28.738 -0.348 0.000 1.115 226 Q HN 0.510 nan 8.270 nan 0.000 0.507 227 L N -0.494 120.462 121.223 -0.445 0.000 2.187 227 L HA 0.333 4.631 4.340 -0.071 0.000 0.197 227 L C 0.519 177.111 176.870 -0.463 0.000 1.090 227 L CA 1.570 56.204 54.840 -0.343 0.000 0.781 227 L CB 0.119 42.085 42.059 -0.154 0.000 0.956 227 L HN -0.075 nan 8.230 nan 0.000 0.463 228 A N -2.138 120.453 122.820 -0.382 0.000 3.234 228 A HA 0.324 4.602 4.320 -0.071 0.000 0.247 228 A C -0.772 176.807 177.584 -0.007 0.000 0.938 228 A CA -0.397 51.438 52.037 -0.337 0.000 1.039 228 A CB -0.675 18.315 19.000 -0.017 0.000 1.197 228 A HN 0.471 nan 8.150 nan 0.000 0.498 229 W N -0.313 120.901 121.300 -0.145 0.000 5.538 229 W HA -0.285 4.333 4.660 -0.070 0.000 0.377 229 W C 1.178 177.652 176.519 -0.075 0.000 1.406 229 W CA 1.282 58.559 57.345 -0.112 0.000 0.940 229 W CB -2.063 27.319 29.460 -0.129 0.000 2.536 229 W HN 1.746 nan 8.180 nan 0.000 1.504 230 G N -1.243 107.587 108.800 0.050 0.000 2.199 230 G HA2 -0.382 3.535 3.960 -0.071 0.000 0.254 230 G HA3 -0.382 3.535 3.960 -0.071 0.000 0.254 230 G C 1.229 176.162 174.900 0.055 0.000 0.982 230 G CA 0.681 45.806 45.100 0.040 0.000 0.632 230 G HN 0.277 nan 8.290 nan 0.000 0.529 231 K N -0.216 120.232 120.400 0.081 0.000 2.296 231 K HA 0.275 4.552 4.320 -0.071 0.000 0.200 231 K C 1.054 177.687 176.600 0.055 0.000 1.048 231 K CA 0.445 56.773 56.287 0.069 0.000 0.966 231 K CB 0.542 33.093 32.500 0.085 0.000 0.754 231 K HN 0.515 nan 8.250 nan 0.000 0.466 232 I N 0.558 121.167 120.570 0.065 0.000 2.362 232 I HA 0.120 4.247 4.170 -0.071 0.000 0.289 232 I C 0.346 176.544 176.117 0.134 0.000 0.994 232 I CA -0.296 61.045 61.300 0.069 0.000 1.158 232 I CB 1.875 39.922 38.000 0.078 0.000 1.315 232 I HN -0.088 nan 8.210 nan 0.000 0.451 233 A N 5.419 128.305 122.820 0.110 0.000 2.551 233 A HA 0.381 4.659 4.320 -0.071 0.000 0.252 233 A C 0.239 177.966 177.584 0.239 0.000 1.199 233 A CA 0.035 52.191 52.037 0.197 0.000 0.972 233 A CB 0.496 19.560 19.000 0.107 0.000 1.153 233 A HN 0.564 nan 8.150 nan 0.000 0.559 234 Q N -1.831 117.945 119.800 -0.040 0.000 2.379 234 Q HA 0.593 4.890 4.340 -0.071 0.000 0.278 234 Q C 0.713 176.237 176.000 -0.792 0.000 1.068 234 Q CA 0.169 55.853 55.803 -0.199 0.000 0.816 234 Q CB 1.717 30.391 28.738 -0.107 0.000 1.387 234 Q HN 0.182 nan 8.270 nan 0.000 0.413 235 A N 1.252 123.549 122.820 -0.872 0.000 1.948 235 A HA -0.232 4.045 4.320 -0.071 0.000 0.220 235 A C 1.817 179.043 177.584 -0.597 0.000 1.177 235 A CA 2.702 54.117 52.037 -1.037 0.000 0.636 235 A CB -0.539 18.205 19.000 -0.426 0.000 0.815 235 A HN 0.770 nan 8.150 nan 0.000 0.449 236 S N -0.668 114.822 115.700 -0.351 0.000 2.447 236 S HA -0.202 4.225 4.470 -0.071 0.000 0.233 236 S C 1.778 176.256 174.600 -0.203 0.000 1.006 236 S CA 1.292 59.360 58.200 -0.220 0.000 0.957 236 S CB -0.441 62.680 63.200 -0.133 0.000 0.773 236 S HN 0.718 nan 8.310 nan 0.000 0.507 237 Q N 0.264 119.916 119.800 -0.247 0.000 2.172 237 Q HA 0.083 4.381 4.340 -0.071 0.000 0.200 237 Q C 1.939 177.839 176.000 -0.166 0.000 0.964 237 Q CA 0.967 56.668 55.803 -0.170 0.000 0.855 237 Q CB -0.231 28.427 28.738 -0.133 0.000 0.918 237 Q HN 0.490 nan 8.270 nan 0.000 0.444 238 I N 0.682 121.074 120.570 -0.297 0.000 2.113 238 I HA -0.230 3.897 4.170 -0.071 0.000 0.238 238 I C 2.145 178.189 176.117 -0.122 0.000 1.070 238 I CA 1.527 62.704 61.300 -0.206 0.000 1.332 238 I CB -1.594 36.203 38.000 -0.338 0.000 1.044 238 I HN 0.194 nan 8.210 nan 0.000 0.402 239 T N 1.731 116.178 114.554 -0.178 0.000 2.649 239 T HA -0.237 4.070 4.350 -0.071 0.000 0.268 239 T C 1.859 176.538 174.700 -0.035 0.000 1.036 239 T CA 2.020 64.057 62.100 -0.104 0.000 1.157 239 T CB -0.416 68.366 68.868 -0.142 0.000 0.861 239 T HN 0.505 nan 8.240 nan 0.000 0.445 240 A N 0.412 123.206 122.820 -0.042 0.000 2.167 240 A HA 0.224 4.501 4.320 -0.071 0.000 0.214 240 A C 2.104 179.706 177.584 0.030 0.000 1.151 240 A CA 0.637 52.671 52.037 -0.005 0.000 0.735 240 A CB -0.532 18.459 19.000 -0.015 0.000 0.802 240 A HN 0.530 nan 8.150 nan 0.000 0.467 241 L N -0.788 120.457 121.223 0.037 0.000 2.509 241 L HA 0.065 4.362 4.340 -0.071 0.000 0.222 241 L C 1.923 178.849 176.870 0.093 0.000 1.123 241 L CA 0.116 55.005 54.840 0.082 0.000 0.856 241 L CB -0.305 41.815 42.059 0.102 0.000 0.985 241 L HN 0.334 nan 8.230 nan 0.000 0.456 242 L N 0.105 121.375 121.223 0.078 0.000 2.201 242 L HA -0.094 4.204 4.340 -0.071 0.000 0.212 242 L C -0.289 176.629 176.870 0.081 0.000 1.105 242 L CA 0.811 55.705 54.840 0.090 0.000 0.775 242 L CB -1.624 40.501 42.059 0.112 0.000 0.913 242 L HN 0.203 nan 8.230 nan 0.000 0.440 243 P HA -0.197 nan 4.420 nan 0.000 0.218 243 P C 1.862 179.221 177.300 0.100 0.000 1.146 243 P CA 1.363 64.512 63.100 0.081 0.000 0.813 243 P CB 0.067 31.818 31.700 0.084 0.000 0.778 244 L N -1.901 119.393 121.223 0.117 0.000 2.141 244 L HA -0.150 4.148 4.340 -0.071 0.000 0.209 244 L C 2.247 179.167 176.870 0.083 0.000 1.094 244 L CA 0.817 55.729 54.840 0.120 0.000 0.763 244 L CB -0.738 41.404 42.059 0.140 0.000 0.908 244 L HN 0.034 nan 8.230 nan 0.000 0.437 245 L N -0.791 120.484 121.223 0.087 0.000 2.072 245 L HA -0.118 4.179 4.340 -0.071 0.000 0.205 245 L C 2.417 179.346 176.870 0.098 0.000 1.079 245 L CA 1.957 56.852 54.840 0.093 0.000 0.752 245 L CB -0.741 41.356 42.059 0.064 0.000 0.906 245 L HN 0.076 nan 8.230 nan 0.000 0.436 246 T N -0.666 113.911 114.554 0.039 0.000 2.720 246 T HA -0.222 4.086 4.350 -0.071 0.000 0.268 246 T C 1.727 176.470 174.700 0.071 0.000 1.037 246 T CA 1.666 63.777 62.100 0.019 0.000 1.144 246 T CB -0.130 68.736 68.868 -0.004 0.000 0.864 246 T HN 0.386 nan 8.240 nan 0.000 0.444 247 E N 1.416 121.659 120.200 0.071 0.000 2.077 247 E HA -0.106 4.201 4.350 -0.071 0.000 0.193 247 E C 2.156 178.775 176.600 0.032 0.000 0.989 247 E CA 1.090 57.527 56.400 0.063 0.000 0.800 247 E CB -0.252 29.504 29.700 0.092 0.000 0.746 247 E HN 0.454 nan 8.360 nan 0.000 0.452 248 N N -1.219 117.497 118.700 0.026 0.000 2.270 248 N HA -0.156 4.542 4.740 -0.071 0.000 0.181 248 N C 1.449 176.951 175.510 -0.013 0.000 1.016 248 N CA 0.722 53.750 53.050 -0.037 0.000 0.870 248 N CB -0.071 38.375 38.487 -0.068 0.000 0.979 248 N HN 0.197 nan 8.380 nan 0.000 0.431 249 Y N 1.960 122.219 120.300 -0.068 0.000 2.128 249 Y HA -0.186 4.322 4.550 -0.071 0.000 0.284 249 Y C 2.167 178.026 175.900 -0.069 0.000 1.154 249 Y CA 1.451 59.509 58.100 -0.069 0.000 1.149 249 Y CB -0.514 37.898 38.460 -0.080 0.000 0.976 249 Y HN 0.092 nan 8.280 nan 0.000 0.505 250 D N -0.242 120.207 120.400 0.082 0.000 2.190 250 D HA -0.153 4.445 4.640 -0.071 0.000 0.200 250 D C 1.422 177.721 176.300 -0.002 0.000 0.992 250 D CA 1.365 55.379 54.000 0.024 0.000 0.854 250 D CB -0.246 40.568 40.800 0.023 0.000 0.936 250 D HN 0.324 nan 8.370 nan 0.000 0.462 251 L N -0.170 121.040 121.223 -0.021 0.000 2.741 251 L HA 0.189 4.487 4.340 -0.071 0.000 0.237 251 L C 1.234 178.063 176.870 -0.068 0.000 1.178 251 L CA -0.096 54.722 54.840 -0.036 0.000 0.973 251 L CB 0.050 42.084 42.059 -0.041 0.000 1.255 251 L HN -0.002 nan 8.230 nan 0.000 0.498 252 S N -2.293 113.348 115.700 -0.099 0.000 4.640 252 S HA 0.043 4.471 4.470 -0.071 0.000 0.157 252 S C 1.133 175.655 174.600 -0.130 0.000 0.963 252 S CA -0.105 58.016 58.200 -0.130 0.000 1.235 252 S CB 0.111 63.186 63.200 -0.207 0.000 1.848 252 S HN 0.168 nan 8.310 nan 0.000 0.751 253 N N 2.213 120.785 118.700 -0.214 0.000 2.396 253 N HA 0.093 4.790 4.740 -0.071 0.000 0.180 253 N C 0.189 175.660 175.510 -0.066 0.000 1.028 253 N CA 1.246 54.202 53.050 -0.157 0.000 0.893 253 N CB -0.028 38.313 38.487 -0.243 0.000 0.967 253 N HN 0.432 nan 8.380 nan 0.000 0.440 254 D N 0.127 120.501 120.400 -0.042 0.000 2.342 254 D HA 0.076 4.674 4.640 -0.071 0.000 0.221 254 D C -0.396 175.896 176.300 -0.013 0.000 1.101 254 D CA 0.099 54.088 54.000 -0.019 0.000 0.837 254 D CB 0.465 41.258 40.800 -0.011 0.000 0.938 254 D HN -0.036 nan 8.370 nan 0.000 0.508 255 V N 2.310 122.217 119.914 -0.010 0.000 2.521 255 V HA -0.068 4.010 4.120 -0.071 0.000 0.286 255 V C 1.709 177.824 176.094 0.034 0.000 1.034 255 V CA -0.250 62.062 62.300 0.019 0.000 1.045 255 V CB 1.358 33.201 31.823 0.033 0.000 0.974 255 V HN 0.035 nan 8.190 nan 0.000 0.480 256 L N 5.905 127.158 121.223 0.050 0.000 1.990 256 L HA -0.212 4.086 4.340 -0.071 0.000 0.213 256 L C 2.003 178.915 176.870 0.071 0.000 1.072 256 L CA 2.405 57.276 54.840 0.052 0.000 0.755 256 L CB -1.081 41.014 42.059 0.061 0.000 0.889 256 L HN 0.782 nan 8.230 nan 0.000 0.432 257 Y N 0.031 120.327 120.300 -0.007 0.000 2.151 257 Y HA -0.286 4.222 4.550 -0.071 0.000 0.284 257 Y C 2.398 178.293 175.900 -0.007 0.000 1.166 257 Y CA 2.488 60.585 58.100 -0.006 0.000 1.163 257 Y CB -0.782 37.673 38.460 -0.007 0.000 0.974 257 Y HN 0.278 nan 8.280 nan 0.000 0.511 258 T N 0.264 114.752 114.554 -0.110 0.000 2.857 258 T HA -0.038 4.270 4.350 -0.071 0.000 0.266 258 T C 2.095 176.677 174.700 -0.197 0.000 1.048 258 T CA 1.151 63.127 62.100 -0.206 0.000 1.139 258 T CB -0.594 68.249 68.868 -0.042 0.000 0.874 258 T HN 0.458 nan 8.240 nan 0.000 0.455 259 A N 1.326 124.078 122.820 -0.114 0.000 1.929 259 A HA -0.080 4.197 4.320 -0.071 0.000 0.216 259 A C 2.281 179.806 177.584 -0.099 0.000 1.176 259 A CA 1.074 53.064 52.037 -0.079 0.000 0.628 259 A CB -0.510 18.468 19.000 -0.037 0.000 0.816 259 A HN 0.476 nan 8.150 nan 0.000 0.444 260 Q N -0.301 119.422 119.800 -0.128 0.000 2.030 260 Q HA -0.191 4.106 4.340 -0.071 0.000 0.204 260 Q C 1.951 177.846 176.000 -0.174 0.000 0.986 260 Q CA 1.569 57.295 55.803 -0.129 0.000 0.843 260 Q CB -0.174 28.502 28.738 -0.104 0.000 0.904 260 Q HN 0.430 nan 8.270 nan 0.000 0.420 261 K N 0.433 120.642 120.400 -0.318 0.000 2.031 261 K HA -0.049 4.228 4.320 -0.071 0.000 0.205 261 K C 1.911 178.415 176.600 -0.159 0.000 1.049 261 K CA 1.126 57.244 56.287 -0.281 0.000 0.939 261 K CB -0.052 32.171 32.500 -0.461 0.000 0.717 261 K HN 0.168 nan 8.250 nan 0.000 0.438 262 R N -0.733 119.680 120.500 -0.146 0.000 2.312 262 R HA 0.091 4.389 4.340 -0.071 0.000 0.205 262 R C 1.747 178.030 176.300 -0.028 0.000 0.904 262 R CA 0.520 56.581 56.100 -0.064 0.000 1.052 262 R CB 0.505 30.774 30.300 -0.051 0.000 1.014 262 R HN 0.194 nan 8.270 nan 0.000 0.503 263 G N -0.819 107.957 108.800 -0.040 0.000 2.815 263 G HA2 -0.045 3.872 3.960 -0.071 0.000 0.215 263 G HA3 -0.045 3.872 3.960 -0.071 0.000 0.215 263 G C 1.101 175.987 174.900 -0.023 0.000 1.054 263 G CA -0.191 44.903 45.100 -0.010 0.000 0.832 263 G HN 0.046 nan 8.290 nan 0.000 0.557 264 S N 0.380 116.054 115.700 -0.044 0.000 2.383 264 S HA -0.157 4.271 4.470 -0.071 0.000 0.229 264 S C 2.347 176.918 174.600 -0.049 0.000 1.030 264 S CA 1.344 59.517 58.200 -0.045 0.000 1.002 264 S CB -0.208 62.962 63.200 -0.050 0.000 0.829 264 S HN 0.201 nan 8.310 nan 0.000 0.467 265 V N 1.139 121.016 119.914 -0.062 0.000 2.626 265 V HA -0.060 4.017 4.120 -0.071 0.000 0.252 265 V C 1.832 177.870 176.094 -0.093 0.000 1.067 265 V CA 1.437 63.683 62.300 -0.090 0.000 1.081 265 V CB -0.125 31.623 31.823 -0.124 0.000 0.686 265 V HN 0.441 nan 8.190 nan 0.000 0.468 266 L N -0.783 120.403 121.223 -0.062 0.000 2.200 266 L HA 0.173 4.471 4.340 -0.071 0.000 0.200 266 L C 2.068 178.930 176.870 -0.013 0.000 1.072 266 L CA 1.854 56.670 54.840 -0.041 0.000 0.787 266 L CB -0.686 41.390 42.059 0.029 0.000 0.957 266 L HN 0.312 nan 8.230 nan 0.000 0.459 267 L N 0.573 121.791 121.223 -0.007 0.000 2.012 267 L HA -0.252 4.046 4.340 -0.071 0.000 0.210 267 L C 2.258 179.108 176.870 -0.033 0.000 1.073 267 L CA 2.305 57.136 54.840 -0.015 0.000 0.748 267 L CB -1.160 40.886 42.059 -0.023 0.000 0.891 267 L HN 0.565 nan 8.230 nan 0.000 0.431 268 N N -0.581 118.095 118.700 -0.041 0.000 2.223 268 N HA -0.152 4.545 4.740 -0.071 0.000 0.185 268 N C 1.731 177.215 175.510 -0.043 0.000 1.016 268 N CA 1.401 54.425 53.050 -0.044 0.000 0.863 268 N CB -0.190 38.268 38.487 -0.048 0.000 0.983 268 N HN 0.488 nan 8.380 nan 0.000 0.429 269 A N -0.122 122.667 122.820 -0.051 0.000 2.015 269 A HA -0.031 4.247 4.320 -0.071 0.000 0.219 269 A C 2.187 179.758 177.584 -0.022 0.000 1.163 269 A CA 0.998 53.005 52.037 -0.050 0.000 0.646 269 A CB -0.386 18.565 19.000 -0.081 0.000 0.806 269 A HN 0.382 nan 8.150 nan 0.000 0.448 270 M N -0.726 118.867 119.600 -0.010 0.000 2.160 270 M HA 0.029 4.466 4.480 -0.071 0.000 0.264 270 M C 2.030 178.330 176.300 0.001 0.000 1.073 270 M CA 1.103 56.409 55.300 0.010 0.000 1.142 270 M CB -0.392 32.221 32.600 0.021 0.000 1.358 270 M HN 0.341 nan 8.290 nan 0.000 0.422 271 L N 0.016 121.224 121.223 -0.025 0.000 2.042 271 L HA -0.270 4.028 4.340 -0.071 0.000 0.210 271 L C 1.897 178.771 176.870 0.007 0.000 1.076 271 L CA 1.085 55.904 54.840 -0.035 0.000 0.749 271 L CB -1.005 41.014 42.059 -0.068 0.000 0.893 271 L HN 0.309 nan 8.230 nan 0.000 0.432 272 D N 0.119 120.519 120.400 -0.001 0.000 2.178 272 D HA -0.120 4.477 4.640 -0.071 0.000 0.201 272 D C 2.111 178.426 176.300 0.024 0.000 0.980 272 D CA 1.448 55.455 54.000 0.010 0.000 0.842 272 D CB -0.205 40.588 40.800 -0.012 0.000 0.948 272 D HN 0.382 nan 8.370 nan 0.000 0.472 273 G N 0.198 109.012 108.800 0.022 0.000 2.511 273 G HA2 -0.108 3.809 3.960 -0.071 0.000 0.217 273 G HA3 -0.108 3.809 3.960 -0.071 0.000 0.217 273 G C 1.528 176.460 174.900 0.054 0.000 1.133 273 G CA 0.086 45.203 45.100 0.027 0.000 0.792 273 G HN 0.270 nan 8.290 nan 0.000 0.539 274 V N -0.109 119.854 119.914 0.082 0.000 3.541 274 V HA 0.284 4.362 4.120 -0.071 0.000 0.267 274 V C 1.054 177.280 176.094 0.220 0.000 1.213 274 V CA 0.251 62.632 62.300 0.134 0.000 1.149 274 V CB -0.384 31.522 31.823 0.139 0.000 0.822 274 V HN 0.170 nan 8.190 nan 0.000 0.462 275 K N 1.525 122.044 120.400 0.198 0.000 2.202 275 K HA 0.285 4.562 4.320 -0.071 0.000 0.264 275 K C -2.363 174.258 176.600 0.034 0.000 1.010 275 K CA -1.502 54.912 56.287 0.211 0.000 0.940 275 K CB 0.363 32.965 32.500 0.170 0.000 0.983 275 K HN 0.153 nan 8.250 nan 0.000 0.475 276 P HA -0.030 nan 4.420 nan 0.000 0.270 276 P C -0.807 176.471 177.300 -0.037 0.000 1.223 276 P CA 0.287 63.340 63.100 -0.079 0.000 0.785 276 P CB 0.459 32.082 31.700 -0.128 0.000 0.923 277 E N -2.885 117.293 120.200 -0.037 0.000 3.413 277 E HA -0.202 4.105 4.350 -0.071 0.000 0.300 277 E C 0.175 176.759 176.600 -0.027 0.000 0.891 277 E CA 1.122 57.504 56.400 -0.030 0.000 1.050 277 E CB -2.473 27.211 29.700 -0.026 0.000 1.534 277 E HN 0.622 nan 8.360 nan 0.000 0.436 278 A N 0.503 123.308 122.820 -0.024 0.000 2.366 278 A HA 0.497 4.774 4.320 -0.071 0.000 0.249 278 A C 0.484 178.040 177.584 -0.047 0.000 1.084 278 A CA 0.636 52.657 52.037 -0.026 0.000 0.794 278 A CB 0.939 19.932 19.000 -0.012 0.000 1.034 278 A HN 0.191 nan 8.150 nan 0.000 0.491 279 S N 1.819 117.482 115.700 -0.062 0.000 2.519 279 S HA 0.686 5.114 4.470 -0.071 0.000 0.309 279 S C -2.386 172.136 174.600 -0.130 0.000 1.100 279 S CA -1.257 56.888 58.200 -0.093 0.000 1.059 279 S CB 1.048 64.195 63.200 -0.089 0.000 1.008 279 S HN 0.694 nan 8.310 nan 0.000 0.478 280 P HA 0.345 nan 4.420 nan 0.000 0.293 280 P C -1.182 176.056 177.300 -0.104 0.000 1.304 280 P CA -0.725 62.269 63.100 -0.177 0.000 0.767 280 P CB 0.486 32.007 31.700 -0.297 0.000 1.247 281 N N 0.268 118.917 118.700 -0.084 0.000 2.589 281 N HA 0.346 5.044 4.740 -0.071 0.000 0.232 281 N C -1.065 174.428 175.510 -0.027 0.000 1.015 281 N CA -0.436 52.585 53.050 -0.048 0.000 0.931 281 N CB -0.581 37.879 38.487 -0.046 0.000 1.150 281 N HN 0.250 nan 8.380 nan 0.000 0.512 282 V N 1.458 121.369 119.914 -0.005 0.000 3.120 282 V HA 0.565 4.643 4.120 -0.071 0.000 0.303 282 V C 0.807 176.931 176.094 0.049 0.000 1.238 282 V CA -0.983 61.337 62.300 0.033 0.000 1.008 282 V CB 1.911 33.778 31.823 0.074 0.000 1.064 282 V HN 0.251 nan 8.190 nan 0.000 0.434 283 R N 0.345 120.889 120.500 0.074 0.000 2.127 283 R HA 0.125 4.422 4.340 -0.071 0.000 0.217 283 R C -0.132 176.241 176.300 0.121 0.000 1.074 283 R CA 0.950 57.081 56.100 0.051 0.000 0.991 283 R CB 0.027 30.344 30.300 0.029 0.000 0.895 283 R HN 0.826 nan 8.270 nan 0.000 0.450 284 W N 1.213 122.486 121.300 -0.045 0.000 2.587 284 W HA 0.366 4.986 4.660 -0.066 0.000 0.324 284 W C -1.637 174.904 176.519 0.037 0.000 1.008 284 W CA -2.370 54.948 57.345 -0.046 0.000 1.265 284 W CB 0.470 29.917 29.460 -0.021 0.000 1.328 284 W HN -0.195 nan 8.180 nan 0.000 0.432 285 L N 8.232 129.671 121.223 0.360 0.000 2.265 285 L HA 0.604 4.902 4.340 -0.071 0.000 0.289 285 L C -1.560 175.398 176.870 0.146 0.000 1.033 285 L CA -0.634 54.317 54.840 0.184 0.000 0.814 285 L CB 1.113 43.270 42.059 0.162 0.000 1.203 285 L HN 0.321 nan 8.230 nan 0.000 0.423 286 L N 6.584 127.787 121.223 -0.034 0.000 2.343 286 L HA 0.606 4.903 4.340 -0.071 0.000 0.278 286 L C -1.575 175.305 176.870 0.016 0.000 0.996 286 L CA -0.231 54.570 54.840 -0.066 0.000 0.831 286 L CB 1.305 43.106 42.059 -0.430 0.000 1.232 286 L HN 0.575 nan 8.230 nan 0.000 0.413 287 L N 5.877 127.159 121.223 0.099 0.000 2.307 287 L HA 0.707 5.004 4.340 -0.071 0.000 0.284 287 L C -0.798 176.089 176.870 0.028 0.000 1.023 287 L CA -0.988 53.944 54.840 0.152 0.000 0.810 287 L CB 1.935 44.168 42.059 0.290 0.000 1.231 287 L HN 0.294 nan 8.230 nan 0.000 0.423 288 V N 2.482 122.336 119.914 -0.099 0.000 2.407 288 V HA 0.832 4.910 4.120 -0.071 0.000 0.291 288 V C 0.115 175.886 176.094 -0.539 0.000 1.018 288 V CA -0.117 62.048 62.300 -0.226 0.000 0.842 288 V CB 1.111 32.827 31.823 -0.179 0.000 0.996 288 V HN 1.020 nan 8.190 nan 0.000 0.426 289 A N 4.086 126.544 122.820 -0.604 0.000 4.238 289 A HA 0.808 5.086 4.320 -0.071 0.000 0.196 289 A C -0.788 176.336 177.584 -0.768 0.000 0.732 289 A CA -0.488 50.940 52.037 -1.015 0.000 0.721 289 A CB 1.107 19.341 19.000 -1.278 0.000 1.642 289 A HN 0.722 nan 8.150 nan 0.000 0.861 290 H N 0.332 119.306 119.070 -0.159 0.000 2.567 290 H HA 0.287 4.801 4.556 -0.070 0.000 0.345 290 H C -0.037 175.314 175.328 0.039 0.000 1.169 290 H CA 0.249 56.274 56.048 -0.039 0.000 1.227 290 H CB 1.035 30.782 29.762 -0.025 0.000 1.607 290 H HN 0.774 nan 8.280 nan 0.000 0.534 291 D N -0.046 120.485 120.400 0.217 0.000 2.182 291 D HA -0.200 4.397 4.640 -0.071 0.000 0.201 291 D C 1.576 178.039 176.300 0.272 0.000 0.986 291 D CA 1.950 56.085 54.000 0.224 0.000 0.847 291 D CB -0.770 40.167 40.800 0.229 0.000 0.942 291 D HN 0.627 nan 8.370 nan 0.000 0.467 292 T N -1.701 112.990 114.554 0.228 0.000 2.788 292 T HA -0.189 4.119 4.350 -0.071 0.000 0.268 292 T C 1.628 176.411 174.700 0.139 0.000 1.044 292 T CA 1.491 63.674 62.100 0.139 0.000 1.139 292 T CB -0.819 68.064 68.868 0.026 0.000 0.867 292 T HN 0.255 nan 8.240 nan 0.000 0.454 293 N N 1.599 120.399 118.700 0.167 0.000 2.106 293 N HA 0.102 4.799 4.740 -0.071 0.000 0.188 293 N C 1.846 177.446 175.510 0.150 0.000 1.029 293 N CA 1.268 54.416 53.050 0.163 0.000 0.848 293 N CB -0.467 38.136 38.487 0.195 0.000 1.007 293 N HN 0.322 nan 8.380 nan 0.000 0.423 294 I N 0.862 121.528 120.570 0.159 0.000 2.286 294 I HA -0.251 3.877 4.170 -0.071 0.000 0.248 294 I C 2.315 178.523 176.117 0.152 0.000 1.115 294 I CA 0.831 62.234 61.300 0.172 0.000 1.392 294 I CB -0.289 37.830 38.000 0.198 0.000 1.065 294 I HN 0.212 nan 8.210 nan 0.000 0.418 295 A N 0.367 123.278 122.820 0.152 0.000 1.930 295 A HA -0.163 4.114 4.320 -0.071 0.000 0.217 295 A C 2.339 179.956 177.584 0.055 0.000 1.175 295 A CA 1.374 53.478 52.037 0.112 0.000 0.627 295 A CB -0.444 18.731 19.000 0.291 0.000 0.815 295 A HN 0.322 nan 8.150 nan 0.000 0.443 296 M N -0.932 118.706 119.600 0.064 0.000 2.200 296 M HA -0.082 4.355 4.480 -0.071 0.000 0.265 296 M C 2.068 178.386 176.300 0.030 0.000 1.066 296 M CA 1.011 56.328 55.300 0.028 0.000 1.127 296 M CB -0.277 32.334 32.600 0.018 0.000 1.379 296 M HN 0.242 nan 8.290 nan 0.000 0.420 297 V N 1.107 121.057 119.914 0.060 0.000 2.295 297 V HA -0.267 3.811 4.120 -0.071 0.000 0.246 297 V C 2.360 178.497 176.094 0.072 0.000 1.049 297 V CA 2.248 64.587 62.300 0.065 0.000 1.024 297 V CB -0.741 31.140 31.823 0.097 0.000 0.648 297 V HN 0.536 nan 8.190 nan 0.000 0.447 298 R N -0.063 120.490 120.500 0.088 0.000 2.193 298 R HA -0.030 4.268 4.340 -0.071 0.000 0.213 298 R C 1.908 178.222 176.300 0.022 0.000 1.055 298 R CA 1.575 57.739 56.100 0.107 0.000 0.995 298 R CB -1.591 28.749 30.300 0.067 0.000 0.893 298 R HN 0.346 nan 8.270 nan 0.000 0.459 299 T N 1.617 116.158 114.554 -0.021 0.000 2.737 299 T HA 0.054 4.362 4.350 -0.071 0.000 0.265 299 T C 1.664 176.370 174.700 0.011 0.000 1.038 299 T CA 1.491 63.580 62.100 -0.020 0.000 1.144 299 T CB -0.224 68.628 68.868 -0.026 0.000 0.866 299 T HN 0.119 nan 8.240 nan 0.000 0.434 300 L N 0.393 121.622 121.223 0.009 0.000 2.079 300 L HA -0.091 4.207 4.340 -0.071 0.000 0.210 300 L C 2.504 179.378 176.870 0.007 0.000 1.081 300 L CA 1.324 56.166 54.840 0.004 0.000 0.752 300 L CB -0.584 41.470 42.059 -0.008 0.000 0.896 300 L HN 0.328 nan 8.230 nan 0.000 0.433 301 M N -0.922 118.686 119.600 0.015 0.000 2.619 301 M HA -0.092 4.346 4.480 -0.071 0.000 0.251 301 M C 0.729 177.076 176.300 0.078 0.000 1.106 301 M CA 0.496 55.783 55.300 -0.021 0.000 1.086 301 M CB -0.450 32.136 32.600 -0.024 0.000 1.465 301 M HN 0.341 nan 8.290 nan 0.000 0.506 302 N N 0.976 119.743 118.700 0.110 0.000 2.701 302 N HA -0.226 4.472 4.740 -0.071 0.000 0.250 302 N C -1.011 174.690 175.510 0.318 0.000 1.046 302 N CA -0.154 52.993 53.050 0.163 0.000 0.733 302 N CB -0.467 38.117 38.487 0.162 0.000 0.973 302 N HN 0.195 nan 8.380 nan 0.000 0.541 303 F N 1.542 121.558 119.950 0.110 0.000 2.334 303 F HA 0.473 4.959 4.527 -0.068 0.000 0.367 303 F C -0.192 175.637 175.800 0.049 0.000 1.115 303 F CA -1.171 56.969 58.000 0.235 0.000 1.116 303 F CB 1.191 40.337 39.000 0.244 0.000 1.230 303 F HN -0.083 nan 8.300 nan 0.000 0.484 304 S N 6.853 122.627 115.700 0.125 0.000 2.451 304 S HA 0.708 5.136 4.470 -0.071 0.000 0.301 304 S C -1.173 173.318 174.600 -0.183 0.000 1.116 304 S CA -0.399 57.645 58.200 -0.260 0.000 1.093 304 S CB 0.331 63.480 63.200 -0.085 0.000 1.017 304 S HN 0.622 nan 8.310 nan 0.000 0.482 305 W N 3.085 124.202 121.300 -0.306 0.000 2.902 305 W HA 0.746 5.363 4.660 -0.071 0.000 0.346 305 W C -0.941 175.537 176.519 -0.067 0.000 1.139 305 W CA -1.019 56.227 57.345 -0.165 0.000 1.139 305 W CB 0.757 30.077 29.460 -0.233 0.000 1.439 305 W HN 0.561 nan 8.180 nan 0.000 0.558 306 Q N 2.242 122.251 119.800 0.348 0.000 2.309 306 Q HA 0.455 4.753 4.340 -0.071 0.000 0.254 306 Q C -1.909 174.273 176.000 0.304 0.000 0.938 306 Q CA -0.489 55.489 55.803 0.291 0.000 0.789 306 Q CB 1.523 30.348 28.738 0.145 0.000 1.313 306 Q HN 0.766 nan 8.270 nan 0.000 0.438 307 L N 4.828 126.271 121.223 0.366 0.000 2.325 307 L HA 0.575 4.872 4.340 -0.071 0.000 0.279 307 L C -2.073 174.961 176.870 0.272 0.000 1.054 307 L CA -2.343 52.684 54.840 0.312 0.000 0.804 307 L CB 1.247 43.520 42.059 0.358 0.000 1.200 307 L HN 0.551 nan 8.230 nan 0.000 0.436 308 P HA -0.018 nan 4.420 nan 0.000 0.260 308 P C 0.718 178.016 177.300 -0.004 0.000 1.172 308 P CA 0.965 64.112 63.100 0.078 0.000 0.760 308 P CB 0.502 32.232 31.700 0.050 0.000 0.773 309 G N 1.078 109.837 108.800 -0.068 0.000 2.175 309 G HA2 -0.234 3.683 3.960 -0.071 0.000 0.244 309 G HA3 -0.234 3.683 3.960 -0.071 0.000 0.244 309 G C -0.355 174.344 174.900 -0.336 0.000 0.982 309 G CA -0.372 44.584 45.100 -0.240 0.000 0.641 309 G HN 0.441 nan 8.290 nan 0.000 0.527 310 Y N 1.003 121.338 120.300 0.058 0.000 2.570 310 Y HA 0.678 5.186 4.550 -0.071 0.000 0.345 310 Y C 0.813 176.752 175.900 0.064 0.000 1.014 310 Y CA -0.615 57.528 58.100 0.071 0.000 1.063 310 Y CB 1.938 40.472 38.460 0.124 0.000 1.272 310 Y HN 0.382 nan 8.280 nan 0.000 0.477 311 S N 1.093 116.937 115.700 0.240 0.000 2.707 311 S HA 0.482 4.909 4.470 -0.071 0.000 0.276 311 S C -0.086 174.565 174.600 0.085 0.000 1.179 311 S CA -1.105 57.171 58.200 0.125 0.000 0.992 311 S CB 0.930 64.177 63.200 0.078 0.000 1.030 311 S HN 0.703 nan 8.310 nan 0.000 0.554 312 R N -0.206 120.302 120.500 0.013 0.000 2.537 312 R HA 0.311 4.609 4.340 -0.071 0.000 0.281 312 R C 1.356 177.519 176.300 -0.229 0.000 0.988 312 R CA 1.366 57.417 56.100 -0.082 0.000 1.077 312 R CB -0.824 29.423 30.300 -0.087 0.000 0.932 312 R HN 1.331 nan 8.270 nan 0.000 0.409 313 G N 2.858 111.348 108.800 -0.517 0.000 2.179 313 G HA2 -0.336 3.582 3.960 -0.071 0.000 0.260 313 G HA3 -0.336 3.582 3.960 -0.071 0.000 0.260 313 G C 0.144 174.786 174.900 -0.431 0.000 0.977 313 G CA 0.271 44.839 45.100 -0.886 0.000 0.641 313 G HN 0.783 nan 8.290 nan 0.000 0.533 314 N N 0.447 119.094 118.700 -0.087 0.000 2.492 314 N HA 0.292 4.990 4.740 -0.071 0.000 0.260 314 N C 0.101 175.649 175.510 0.064 0.000 1.215 314 N CA 0.247 53.252 53.050 -0.075 0.000 0.923 314 N CB 0.150 38.629 38.487 -0.013 0.000 1.092 314 N HN 0.324 nan 8.380 nan 0.000 0.448 315 I N 4.673 125.211 120.570 -0.055 0.000 2.460 315 I HA 0.269 4.397 4.170 -0.071 0.000 0.277 315 I C -2.253 173.889 176.117 0.043 0.000 1.057 315 I CA -1.928 59.443 61.300 0.119 0.000 1.179 315 I CB 1.548 39.590 38.000 0.071 0.000 1.329 315 I HN 0.303 nan 8.210 nan 0.000 0.478 316 P HA 0.145 nan 4.420 nan 0.000 0.272 316 P C -2.381 174.938 177.300 0.031 0.000 1.223 316 P CA -1.135 61.926 63.100 -0.065 0.000 0.784 316 P CB -0.117 31.471 31.700 -0.188 0.000 0.923 317 P HA -0.072 nan 4.420 nan 0.000 0.265 317 P C 0.851 178.175 177.300 0.039 0.000 1.187 317 P CA 1.106 64.251 63.100 0.074 0.000 0.766 317 P CB 0.076 31.845 31.700 0.114 0.000 0.820 318 G N 1.636 110.445 108.800 0.016 0.000 2.168 318 G HA2 -0.262 3.655 3.960 -0.071 0.000 0.263 318 G HA3 -0.262 3.655 3.960 -0.071 0.000 0.263 318 G C 0.400 175.268 174.900 -0.053 0.000 0.977 318 G CA 0.549 45.638 45.100 -0.019 0.000 0.659 318 G HN 0.874 nan 8.290 nan 0.000 0.533 319 S N -0.622 115.040 115.700 -0.064 0.000 2.655 319 S HA 0.837 5.265 4.470 -0.071 0.000 0.265 319 S C 0.163 174.672 174.600 -0.151 0.000 1.240 319 S CA 0.619 58.695 58.200 -0.206 0.000 0.986 319 S CB 2.045 65.087 63.200 -0.263 0.000 0.985 319 S HN 2.004 nan 8.310 nan 0.000 0.562 320 S N -0.386 115.114 115.700 -0.333 0.000 2.543 320 S HA 0.494 4.922 4.470 -0.071 0.000 0.274 320 S C -1.218 173.343 174.600 -0.065 0.000 1.149 320 S CA -1.003 57.147 58.200 -0.083 0.000 0.866 320 S CB 0.579 63.762 63.200 -0.029 0.000 1.111 320 S HN 0.790 nan 8.310 nan 0.000 0.457 321 L N 2.479 123.787 121.223 0.140 0.000 2.289 321 L HA 0.735 5.033 4.340 -0.071 0.000 0.285 321 L C -1.200 175.661 176.870 -0.014 0.000 1.049 321 L CA -0.710 54.220 54.840 0.150 0.000 0.804 321 L CB 1.422 43.619 42.059 0.229 0.000 1.195 321 L HN 0.704 nan 8.230 nan 0.000 0.428 322 V N 5.711 125.501 119.914 -0.207 0.000 2.588 322 V HA 0.428 4.505 4.120 -0.071 0.000 0.304 322 V C -0.263 175.672 176.094 -0.265 0.000 1.042 322 V CA -0.594 61.511 62.300 -0.325 0.000 0.877 322 V CB 2.111 33.442 31.823 -0.821 0.000 0.996 322 V HN 0.529 nan 8.190 nan 0.000 0.425 323 L N 4.219 125.384 121.223 -0.096 0.000 2.305 323 L HA 0.642 4.939 4.340 -0.071 0.000 0.284 323 L C -0.174 176.720 176.870 0.040 0.000 1.013 323 L CA -0.398 54.432 54.840 -0.017 0.000 0.819 323 L CB 1.546 43.601 42.059 -0.007 0.000 1.227 323 L HN 0.621 nan 8.230 nan 0.000 0.417 324 E N 3.085 123.374 120.200 0.147 0.000 2.183 324 E HA 0.441 4.748 4.350 -0.071 0.000 0.271 324 E C -0.876 175.851 176.600 0.212 0.000 0.919 324 E CA -0.853 55.623 56.400 0.128 0.000 0.781 324 E CB 2.862 32.721 29.700 0.264 0.000 1.140 324 E HN 0.370 nan 8.360 nan 0.000 0.402 325 R N 3.291 123.832 120.500 0.068 0.000 2.255 325 R HA 0.323 4.620 4.340 -0.071 0.000 0.326 325 R C -1.434 174.911 176.300 0.075 0.000 0.986 325 R CA -0.416 55.810 56.100 0.211 0.000 0.847 325 R CB 0.717 31.117 30.300 0.166 0.000 1.111 325 R HN 0.487 nan 8.270 nan 0.000 0.452 326 W N 2.795 124.235 121.300 0.233 0.000 2.647 326 W HA 0.508 5.129 4.660 -0.064 0.000 0.353 326 W C 0.016 176.740 176.519 0.341 0.000 1.080 326 W CA -0.747 56.751 57.345 0.254 0.000 1.208 326 W CB 1.493 31.083 29.460 0.217 0.000 1.396 326 W HN 0.241 nan 8.180 nan 0.000 0.573 327 R N 1.929 122.815 120.500 0.642 0.000 2.575 327 R HA 0.128 4.426 4.340 -0.071 0.000 0.293 327 R C -1.222 175.392 176.300 0.524 0.000 0.983 327 R CA -0.733 55.659 56.100 0.486 0.000 0.887 327 R CB 1.458 31.902 30.300 0.240 0.000 1.184 327 R HN 0.409 nan 8.270 nan 0.000 0.445 328 D N 3.132 123.780 120.400 0.413 0.000 2.358 328 D HA 0.097 4.694 4.640 -0.071 0.000 0.258 328 D C 0.820 177.056 176.300 -0.107 0.000 1.223 328 D CA 0.252 54.183 54.000 -0.116 0.000 0.886 328 D CB 1.698 42.449 40.800 -0.082 0.000 1.120 328 D HN 0.635 nan 8.370 nan 0.000 0.482 329 A N 5.767 128.462 122.820 -0.208 0.000 1.877 329 A HA -0.202 4.075 4.320 -0.071 0.000 0.216 329 A C 2.030 179.553 177.584 -0.101 0.000 1.186 329 A CA 1.630 53.606 52.037 -0.102 0.000 0.620 329 A CB -0.402 18.535 19.000 -0.105 0.000 0.822 329 A HN 0.714 nan 8.150 nan 0.000 0.443 330 K N 0.351 120.653 120.400 -0.163 0.000 1.969 330 K HA -0.183 4.094 4.320 -0.071 0.000 0.216 330 K C 2.103 178.663 176.600 -0.066 0.000 1.048 330 K CA 2.354 58.571 56.287 -0.117 0.000 0.948 330 K CB -0.452 31.956 32.500 -0.153 0.000 0.726 330 K HN 0.536 nan 8.250 nan 0.000 0.442 331 S N -0.947 114.721 115.700 -0.054 0.000 2.527 331 S HA 0.131 4.559 4.470 -0.071 0.000 0.222 331 S C 1.416 176.029 174.600 0.021 0.000 0.985 331 S CA 0.649 58.849 58.200 0.001 0.000 0.921 331 S CB -0.001 63.221 63.200 0.038 0.000 0.772 331 S HN 0.715 nan 8.310 nan 0.000 0.529 332 G N 0.910 109.725 108.800 0.024 0.000 2.175 332 G HA2 -0.303 3.615 3.960 -0.071 0.000 0.265 332 G HA3 -0.303 3.615 3.960 -0.071 0.000 0.265 332 G C -0.144 174.796 174.900 0.067 0.000 0.979 332 G CA 0.529 45.652 45.100 0.039 0.000 0.663 332 G HN 0.629 nan 8.290 nan 0.000 0.533 333 E N -0.134 120.136 120.200 0.116 0.000 2.366 333 E HA 0.465 4.772 4.350 -0.071 0.000 0.266 333 E C 0.726 177.415 176.600 0.149 0.000 1.051 333 E CA -0.493 55.963 56.400 0.094 0.000 0.884 333 E CB 0.577 30.339 29.700 0.104 0.000 1.006 333 E HN 0.336 nan 8.360 nan 0.000 0.417 334 R N 1.801 122.280 120.500 -0.034 0.000 2.428 334 R HA 0.388 4.686 4.340 -0.071 0.000 0.294 334 R C -1.137 175.110 176.300 -0.088 0.000 1.000 334 R CA -0.263 55.850 56.100 0.023 0.000 0.960 334 R CB 0.748 30.936 30.300 -0.187 0.000 1.076 334 R HN 0.425 nan 8.270 nan 0.000 0.475 335 Y N 1.095 121.622 120.300 0.378 0.000 2.609 335 Y HA 0.463 4.975 4.550 -0.063 0.000 0.342 335 Y C -0.818 175.386 175.900 0.507 0.000 1.058 335 Y CA -1.077 57.264 58.100 0.403 0.000 1.055 335 Y CB 1.548 40.160 38.460 0.253 0.000 1.292 335 Y HN 0.309 nan 8.280 nan 0.000 0.476 336 L N 2.126 123.684 121.223 0.560 0.000 2.346 336 L HA 0.664 4.962 4.340 -0.071 0.000 0.274 336 L C -0.798 176.308 176.870 0.394 0.000 1.007 336 L CA -0.679 54.427 54.840 0.444 0.000 0.818 336 L CB 1.579 43.739 42.059 0.168 0.000 1.284 336 L HN 0.716 nan 8.230 nan 0.000 0.424 337 R N 3.323 124.075 120.500 0.420 0.000 2.562 337 R HA 0.847 5.144 4.340 -0.071 0.000 0.298 337 R C -1.941 174.569 176.300 0.350 0.000 0.961 337 R CA -0.601 55.728 56.100 0.381 0.000 0.881 337 R CB 1.695 32.274 30.300 0.465 0.000 1.159 337 R HN 0.523 nan 8.270 nan 0.000 0.450 338 V N 5.437 125.564 119.914 0.356 0.000 2.623 338 V HA 0.535 4.612 4.120 -0.071 0.000 0.304 338 V C -1.441 174.858 176.094 0.341 0.000 1.054 338 V CA -0.698 61.718 62.300 0.194 0.000 0.882 338 V CB 1.407 33.217 31.823 -0.021 0.000 1.002 338 V HN 0.848 nan 8.190 nan 0.000 0.424 339 Y N 2.845 123.281 120.300 0.226 0.000 2.638 339 Y HA 0.807 5.314 4.550 -0.071 0.000 0.335 339 Y C -1.650 174.475 175.900 0.375 0.000 1.155 339 Y CA -1.831 56.475 58.100 0.344 0.000 1.046 339 Y CB 1.447 40.028 38.460 0.201 0.000 1.303 339 Y HN 0.487 nan 8.280 nan 0.000 0.460 340 F N 3.572 123.704 119.950 0.305 0.000 2.458 340 F HA 0.607 5.091 4.527 -0.071 0.000 0.336 340 F C -0.723 175.005 175.800 -0.122 0.000 1.114 340 F CA -0.595 57.266 58.000 -0.231 0.000 0.987 340 F CB 1.646 39.920 39.000 -1.209 0.000 1.130 340 F HN 0.711 nan 8.300 nan 0.000 0.458 341 Q N 5.084 124.351 119.800 -0.888 0.000 2.394 341 Q HA 0.931 5.229 4.340 -0.071 0.000 0.273 341 Q C -1.980 173.510 176.000 -0.850 0.000 1.089 341 Q CA -1.264 54.185 55.803 -0.590 0.000 0.812 341 Q CB 2.512 31.151 28.738 -0.165 0.000 1.353 341 Q HN 0.865 nan 8.270 nan 0.000 0.438 342 A N 1.337 123.868 122.820 -0.481 0.000 2.581 342 A HA 0.508 4.786 4.320 -0.071 0.000 0.290 342 A C -1.551 175.981 177.584 -0.087 0.000 1.119 342 A CA -0.816 51.036 52.037 -0.308 0.000 0.670 342 A CB 1.899 20.701 19.000 -0.330 0.000 1.280 342 A HN 0.724 nan 8.150 nan 0.000 0.425 343 Q N -0.123 119.681 119.800 0.007 0.000 2.226 343 Q HA 0.524 4.822 4.340 -0.071 0.000 0.256 343 Q C 0.468 176.617 176.000 0.247 0.000 0.962 343 Q CA -0.411 55.447 55.803 0.093 0.000 0.887 343 Q CB 1.879 30.660 28.738 0.072 0.000 1.282 343 Q HN 1.005 nan 8.270 nan 0.000 0.449 344 G N 0.603 109.525 108.800 0.203 0.000 2.634 344 G HA2 0.150 4.067 3.960 -0.071 0.000 0.255 344 G HA3 0.150 4.067 3.960 -0.071 0.000 0.255 344 G C 0.774 175.782 174.900 0.179 0.000 1.205 344 G CA -0.355 44.848 45.100 0.171 0.000 0.884 344 G HN 0.658 nan 8.290 nan 0.000 0.549 345 L N -0.166 121.088 121.223 0.051 0.000 2.012 345 L HA -0.121 4.176 4.340 -0.071 0.000 0.210 345 L C 2.427 179.550 176.870 0.421 0.000 1.073 345 L CA 1.454 56.443 54.840 0.247 0.000 0.748 345 L CB -0.246 41.822 42.059 0.014 0.000 0.891 345 L HN 0.406 nan 8.230 nan 0.000 0.431 346 D N -0.377 120.216 120.400 0.322 0.000 2.144 346 D HA -0.153 4.444 4.640 -0.071 0.000 0.200 346 D C 1.824 178.209 176.300 0.142 0.000 0.978 346 D CA 0.979 55.145 54.000 0.276 0.000 0.833 346 D CB -0.247 40.686 40.800 0.221 0.000 0.961 346 D HN 0.305 nan 8.370 nan 0.000 0.470 347 D N 0.365 120.837 120.400 0.121 0.000 2.144 347 D HA -0.102 4.496 4.640 -0.071 0.000 0.199 347 D C 2.339 178.684 176.300 0.074 0.000 0.984 347 D CA 0.433 54.471 54.000 0.063 0.000 0.834 347 D CB -0.184 40.657 40.800 0.070 0.000 0.955 347 D HN 0.256 nan 8.370 nan 0.000 0.465 348 L N 0.238 121.546 121.223 0.142 0.000 2.027 348 L HA -0.081 4.217 4.340 -0.071 0.000 0.206 348 L C 2.656 179.654 176.870 0.213 0.000 1.074 348 L CA 0.802 55.742 54.840 0.167 0.000 0.745 348 L CB -0.253 41.943 42.059 0.228 0.000 0.898 348 L HN -0.062 nan 8.230 nan 0.000 0.433 349 R N 0.587 121.157 120.500 0.116 0.000 2.096 349 R HA -0.135 4.163 4.340 -0.071 0.000 0.235 349 R C 1.959 178.283 176.300 0.040 0.000 1.127 349 R CA 1.348 57.416 56.100 -0.054 0.000 0.968 349 R CB 0.016 30.065 30.300 -0.418 0.000 0.861 349 R HN 0.252 nan 8.270 nan 0.000 0.440 350 R N 0.407 120.921 120.500 0.023 0.000 2.334 350 R HA 0.191 4.489 4.340 -0.071 0.000 0.220 350 R C 0.229 176.517 176.300 -0.021 0.000 0.917 350 R CA 0.006 56.099 56.100 -0.013 0.000 1.073 350 R CB 0.133 30.403 30.300 -0.049 0.000 1.056 350 R HN 0.179 nan 8.270 nan 0.000 0.506 351 L N 1.824 123.037 121.223 -0.018 0.000 3.833 351 L HA -0.265 4.032 4.340 -0.071 0.000 0.447 351 L C -0.021 176.793 176.870 -0.093 0.000 1.213 351 L CA 0.204 54.978 54.840 -0.110 0.000 0.801 351 L CB -1.453 40.502 42.059 -0.173 0.000 1.676 351 L HN 0.320 nan 8.230 nan 0.000 0.883 352 Q N 1.150 120.896 119.800 -0.089 0.000 2.289 352 Q HA 0.200 4.497 4.340 -0.071 0.000 0.273 352 Q C 0.585 176.530 176.000 -0.093 0.000 1.029 352 Q CA 0.640 56.362 55.803 -0.136 0.000 0.896 352 Q CB 1.158 29.773 28.738 -0.205 0.000 1.182 352 Q HN 0.221 nan 8.270 nan 0.000 0.385 353 T N 6.041 120.542 114.554 -0.088 0.000 2.779 353 T HA 0.414 4.722 4.350 -0.071 0.000 0.296 353 T C -2.300 172.382 174.700 -0.030 0.000 0.938 353 T CA -1.814 60.254 62.100 -0.054 0.000 1.119 353 T CB 0.446 69.287 68.868 -0.045 0.000 0.891 353 T HN 0.534 nan 8.240 nan 0.000 0.526 354 P HA 0.326 nan 4.420 nan 0.000 0.271 354 P C -1.018 176.283 177.300 0.001 0.000 1.220 354 P CA 0.060 63.159 63.100 -0.002 0.000 0.768 354 P CB 0.682 32.361 31.700 -0.035 0.000 0.848 355 D N 1.180 121.600 120.400 0.032 0.000 2.779 355 D HA 0.273 4.871 4.640 -0.071 0.000 0.331 355 D C 0.798 177.102 176.300 0.008 0.000 1.331 355 D CA -0.703 53.307 54.000 0.017 0.000 0.866 355 D CB -0.124 40.700 40.800 0.041 0.000 1.409 355 D HN 0.135 nan 8.370 nan 0.000 0.486 356 A N -0.518 122.296 122.820 -0.011 0.000 1.948 356 A HA -0.234 4.043 4.320 -0.071 0.000 0.220 356 A C 1.856 179.401 177.584 -0.065 0.000 1.177 356 A CA 2.130 54.145 52.037 -0.036 0.000 0.636 356 A CB -0.835 18.145 19.000 -0.032 0.000 0.815 356 A HN 0.564 nan 8.150 nan 0.000 0.449 357 Q N -1.644 118.108 119.800 -0.080 0.000 2.432 357 Q HA -0.048 4.250 4.340 -0.071 0.000 0.205 357 Q C -0.356 175.369 176.000 -0.458 0.000 0.945 357 Q CA 0.586 56.246 55.803 -0.238 0.000 0.924 357 Q CB 0.164 28.760 28.738 -0.237 0.000 1.016 357 Q HN 0.900 nan 8.270 nan 0.000 0.503 358 H N -0.398 118.659 119.070 -0.021 0.000 2.712 358 H HA 0.251 4.764 4.556 -0.071 0.000 0.226 358 H C -2.454 172.857 175.328 -0.029 0.000 1.422 358 H CA -1.619 54.419 56.048 -0.017 0.000 1.270 358 H CB 0.783 30.539 29.762 -0.011 0.000 1.891 358 H HN 0.181 nan 8.280 nan 0.000 0.518 359 P HA 0.014 nan 4.420 nan 0.000 0.274 359 P C 0.383 177.674 177.300 -0.014 0.000 1.231 359 P CA -0.377 62.712 63.100 -0.017 0.000 0.790 359 P CB 1.006 32.675 31.700 -0.052 0.000 0.951 360 M N 1.439 121.008 119.600 -0.051 0.000 2.248 360 M HA -0.002 4.436 4.480 -0.071 0.000 0.343 360 M C 0.544 176.811 176.300 -0.056 0.000 1.243 360 M CA 0.708 55.972 55.300 -0.061 0.000 1.025 360 M CB -0.606 31.930 32.600 -0.107 0.000 1.759 360 M HN 0.248 nan 8.290 nan 0.000 0.452 361 L N 3.103 124.309 121.223 -0.028 0.000 2.439 361 L HA 0.391 4.688 4.340 -0.071 0.000 0.269 361 L C 0.325 177.153 176.870 -0.071 0.000 1.179 361 L CA 0.027 54.859 54.840 -0.012 0.000 0.828 361 L CB 0.261 42.359 42.059 0.065 0.000 1.106 361 L HN 0.650 nan 8.230 nan 0.000 0.467 362 R N 1.897 122.373 120.500 -0.040 0.000 2.566 362 R HA 0.380 4.677 4.340 -0.071 0.000 0.271 362 R C -1.559 174.776 176.300 0.059 0.000 1.071 362 R CA -0.583 55.496 56.100 -0.036 0.000 0.915 362 R CB 1.922 32.149 30.300 -0.121 0.000 1.228 362 R HN 0.694 nan 8.270 nan 0.000 0.449 363 Q N 2.265 122.168 119.800 0.172 0.000 2.347 363 Q HA 0.321 4.619 4.340 -0.071 0.000 0.271 363 Q C -1.326 174.957 176.000 0.470 0.000 1.064 363 Q CA -0.716 55.258 55.803 0.285 0.000 0.800 363 Q CB 2.130 31.081 28.738 0.354 0.000 1.304 363 Q HN 0.601 nan 8.270 nan 0.000 0.438 364 E N 2.129 122.541 120.200 0.353 0.000 2.231 364 E HA 0.157 4.464 4.350 -0.071 0.000 0.277 364 E C -1.334 175.453 176.600 0.312 0.000 0.999 364 E CA -0.560 56.045 56.400 0.343 0.000 0.827 364 E CB 1.214 31.005 29.700 0.151 0.000 1.101 364 E HN 0.499 nan 8.360 nan 0.000 0.393 365 W N 4.666 125.854 121.300 -0.187 0.000 2.202 365 W HA 0.147 4.763 4.660 -0.072 0.000 0.332 365 W C -0.185 176.241 176.519 -0.155 0.000 1.263 365 W CA -0.267 56.789 57.345 -0.481 0.000 1.223 365 W CB 0.596 29.387 29.460 -1.116 0.000 1.128 365 W HN 0.471 nan 8.180 nan 0.000 0.573 366 R N 4.526 124.398 120.500 -1.048 0.000 2.774 366 R HA 0.637 4.935 4.340 -0.071 0.000 0.272 366 R C -1.552 174.011 176.300 -1.228 0.000 1.000 366 R CA -0.920 54.632 56.100 -0.913 0.000 0.906 366 R CB 1.912 31.980 30.300 -0.387 0.000 1.227 366 R HN 0.753 nan 8.270 nan 0.000 0.468 367 Q N 0.314 119.603 119.800 -0.852 0.000 2.590 367 Q HA 0.574 4.871 4.340 -0.071 0.000 0.295 367 Q C -2.906 172.934 176.000 -0.267 0.000 0.973 367 Q CA -2.243 53.254 55.803 -0.510 0.000 0.768 367 Q CB 1.947 30.423 28.738 -0.437 0.000 1.479 367 Q HN 0.378 nan 8.270 nan 0.000 0.419 368 P HA 0.118 nan 4.420 nan 0.000 0.265 368 P C 0.526 177.795 177.300 -0.053 0.000 1.187 368 P CA 1.731 64.783 63.100 -0.080 0.000 0.766 368 P CB 0.426 32.101 31.700 -0.042 0.000 0.820 369 G N 0.720 109.503 108.800 -0.028 0.000 2.234 369 G HA2 -0.253 3.665 3.960 -0.071 0.000 0.235 369 G HA3 -0.253 3.665 3.960 -0.071 0.000 0.235 369 G C 0.333 175.253 174.900 0.032 0.000 0.997 369 G CA -0.097 45.013 45.100 0.016 0.000 0.623 369 G HN 0.692 nan 8.290 nan 0.000 0.514 370 c N 2.751 121.335 118.600 -0.028 0.000 2.689 370 c HA 0.639 5.167 4.570 -0.071 0.000 0.409 370 c C 0.997 175.065 174.090 -0.038 0.000 1.293 370 c CA -0.136 56.177 56.329 -0.027 0.000 2.136 370 c CB 0.280 42.715 42.510 -0.125 0.000 2.719 370 c HN 0.733 nan 8.230 nan 0.000 0.644 371 R N 1.609 122.070 120.500 -0.066 0.000 2.670 371 R HA 0.575 4.873 4.340 -0.071 0.000 0.289 371 R C -1.095 175.095 176.300 -0.184 0.000 0.965 371 R CA -0.607 55.432 56.100 -0.100 0.000 0.899 371 R CB 1.086 31.341 30.300 -0.075 0.000 1.173 371 R HN 0.629 nan 8.270 nan 0.000 0.456 372 Q N 1.914 121.626 119.800 -0.147 0.000 2.296 372 Q HA 0.187 4.485 4.340 -0.071 0.000 0.262 372 Q C -0.721 175.159 176.000 -0.201 0.000 0.981 372 Q CA 0.326 56.027 55.803 -0.171 0.000 0.905 372 Q CB 1.053 29.725 28.738 -0.110 0.000 1.186 372 Q HN 0.833 nan 8.270 nan 0.000 0.399 373 T N -0.394 113.973 114.554 -0.311 0.000 2.858 373 T HA 0.356 4.663 4.350 -0.071 0.000 0.285 373 T C 0.250 174.795 174.700 -0.258 0.000 1.052 373 T CA -0.660 61.255 62.100 -0.308 0.000 1.009 373 T CB 0.876 69.321 68.868 -0.705 0.000 1.241 373 T HN 0.504 nan 8.240 nan 0.000 0.542 374 D N 0.362 120.670 120.400 -0.152 0.000 2.265 374 D HA -0.085 4.512 4.640 -0.071 0.000 0.208 374 D C 1.871 178.048 176.300 -0.205 0.000 0.977 374 D CA 1.479 55.411 54.000 -0.112 0.000 0.871 374 D CB -0.112 40.686 40.800 -0.003 0.000 0.925 374 D HN 0.545 nan 8.370 nan 0.000 0.485 375 V N -3.546 116.108 119.914 -0.434 0.000 3.444 375 V HA 0.586 4.664 4.120 -0.071 0.000 0.308 375 V C 0.817 176.613 176.094 -0.498 0.000 1.371 375 V CA 0.402 62.402 62.300 -0.499 0.000 1.141 375 V CB 0.045 31.328 31.823 -0.901 0.000 1.037 375 V HN 0.212 nan 8.190 nan 0.000 0.433 376 G N 0.010 108.549 108.800 -0.435 0.000 2.343 376 G HA2 0.019 3.937 3.960 -0.071 0.000 0.562 376 G HA3 0.019 3.937 3.960 -0.071 0.000 0.562 376 G C -0.492 174.183 174.900 -0.375 0.000 1.269 376 G CA -0.361 44.537 45.100 -0.336 0.000 1.011 376 G HN 0.404 nan 8.290 nan 0.000 0.498 377 T N 1.039 115.446 114.554 -0.245 0.000 2.729 377 T HA 0.538 4.846 4.350 -0.071 0.000 0.296 377 T C -0.181 174.404 174.700 -0.192 0.000 0.928 377 T CA 0.118 62.095 62.100 -0.206 0.000 1.045 377 T CB 0.914 69.713 68.868 -0.116 0.000 0.902 377 T HN 0.521 nan 8.240 nan 0.000 0.500 378 L N 3.885 124.939 121.223 -0.282 0.000 2.313 378 L HA 0.493 4.791 4.340 -0.071 0.000 0.283 378 L C -0.410 176.494 176.870 0.056 0.000 1.013 378 L CA -0.359 54.341 54.840 -0.234 0.000 0.816 378 L CB 1.201 42.805 42.059 -0.759 0.000 1.236 378 L HN 0.766 nan 8.230 nan 0.000 0.419 379 c N 4.252 123.026 118.600 0.289 0.000 2.456 379 c HA 0.573 5.101 4.570 -0.071 0.000 0.325 379 c C -2.257 172.078 174.090 0.408 0.000 1.217 379 c CA -1.665 54.862 56.329 0.330 0.000 1.687 379 c CB 1.538 44.203 42.510 0.258 0.000 2.270 379 c HN 0.577 nan 8.230 nan 0.000 0.499 380 P HA -0.026 nan 4.420 nan 0.000 0.264 380 P C 0.377 177.720 177.300 0.071 0.000 1.183 380 P CA 0.357 63.433 63.100 -0.041 0.000 0.763 380 P CB 0.238 31.937 31.700 -0.001 0.000 0.807 381 F N 3.260 123.144 119.950 -0.111 0.000 2.084 381 F HA -0.227 4.256 4.527 -0.073 0.000 0.296 381 F C 2.342 178.154 175.800 0.021 0.000 1.111 381 F CA 1.753 59.754 58.000 0.001 0.000 1.224 381 F CB -0.316 38.677 39.000 -0.011 0.000 0.991 381 F HN 0.227 nan 8.300 nan 0.000 0.471 382 Q N 0.883 120.796 119.800 0.189 0.000 2.079 382 Q HA -0.082 4.216 4.340 -0.071 0.000 0.200 382 Q C 2.125 178.124 176.000 -0.002 0.000 0.974 382 Q CA 1.998 57.856 55.803 0.093 0.000 0.840 382 Q CB -0.768 28.047 28.738 0.130 0.000 0.898 382 Q HN 0.453 nan 8.270 nan 0.000 0.430 383 A N 0.080 122.916 122.820 0.027 0.000 1.930 383 A HA 0.008 4.286 4.320 -0.071 0.000 0.217 383 A C 2.239 179.854 177.584 0.052 0.000 1.175 383 A CA 1.736 53.796 52.037 0.039 0.000 0.627 383 A CB -0.989 18.045 19.000 0.057 0.000 0.815 383 A HN 0.483 nan 8.150 nan 0.000 0.443 384 A N 0.024 122.869 122.820 0.042 0.000 1.873 384 A HA -0.027 4.251 4.320 -0.071 0.000 0.215 384 A C 1.998 179.500 177.584 -0.136 0.000 1.186 384 A CA 1.525 53.617 52.037 0.092 0.000 0.616 384 A CB -0.462 18.628 19.000 0.150 0.000 0.823 384 A HN 0.372 nan 8.150 nan 0.000 0.442 385 I N 0.354 120.742 120.570 -0.303 0.000 2.226 385 I HA -0.186 3.941 4.170 -0.071 0.000 0.245 385 I C 2.529 178.555 176.117 -0.152 0.000 1.100 385 I CA 2.023 63.136 61.300 -0.310 0.000 1.374 385 I CB -1.843 35.923 38.000 -0.390 0.000 1.057 385 I HN 0.259 nan 8.210 nan 0.000 0.413 386 T N 1.277 115.780 114.554 -0.085 0.000 2.708 386 T HA -0.143 4.164 4.350 -0.071 0.000 0.266 386 T C 2.035 176.726 174.700 -0.016 0.000 1.037 386 T CA 1.657 63.737 62.100 -0.034 0.000 1.146 386 T CB -0.307 68.559 68.868 -0.003 0.000 0.865 386 T HN 0.457 nan 8.240 nan 0.000 0.435 387 A N 1.261 124.092 122.820 0.019 0.000 1.877 387 A HA 0.023 4.301 4.320 -0.071 0.000 0.216 387 A C 2.237 179.816 177.584 -0.009 0.000 1.186 387 A CA 1.223 53.303 52.037 0.072 0.000 0.620 387 A CB -0.841 18.295 19.000 0.226 0.000 0.822 387 A HN 0.500 nan 8.150 nan 0.000 0.443 388 L N -0.899 120.238 121.223 -0.143 0.000 2.362 388 L HA -0.034 4.264 4.340 -0.071 0.000 0.219 388 L C 2.404 179.194 176.870 -0.133 0.000 1.134 388 L CA 0.734 55.430 54.840 -0.241 0.000 0.807 388 L CB -0.337 41.456 42.059 -0.444 0.000 0.927 388 L HN 0.500 nan 8.230 nan 0.000 0.447 389 G N -1.866 106.880 108.800 -0.092 0.000 2.796 389 G HA2 -0.085 3.833 3.960 -0.071 0.000 0.210 389 G HA3 -0.085 3.833 3.960 -0.071 0.000 0.210 389 G C 1.350 176.231 174.900 -0.033 0.000 1.146 389 G CA -0.244 44.817 45.100 -0.064 0.000 0.779 389 G HN 0.202 nan 8.290 nan 0.000 0.535 390 Q N -0.058 119.731 119.800 -0.019 0.000 2.173 390 Q HA -0.124 4.174 4.340 -0.071 0.000 0.208 390 Q C 2.273 178.276 176.000 0.004 0.000 0.989 390 Q CA 1.202 57.006 55.803 0.001 0.000 0.872 390 Q CB -0.013 28.736 28.738 0.019 0.000 0.909 390 Q HN 0.358 nan 8.270 nan 0.000 0.420 391 R N -0.577 119.923 120.500 0.000 0.000 2.362 391 R HA 0.254 4.552 4.340 -0.071 0.000 0.227 391 R C 0.174 176.472 176.300 -0.003 0.000 0.905 391 R CA -0.334 55.770 56.100 0.006 0.000 1.067 391 R CB 0.507 30.815 30.300 0.013 0.000 1.078 391 R HN 0.172 nan 8.270 nan 0.000 0.516 392 I N 1.581 122.144 120.570 -0.013 0.000 2.710 392 I HA -0.110 4.017 4.170 -0.071 0.000 0.286 392 I C 0.047 176.156 176.117 -0.014 0.000 1.181 392 I CA 0.447 61.735 61.300 -0.020 0.000 1.430 392 I CB 0.415 38.400 38.000 -0.026 0.000 1.367 392 I HN -0.035 nan 8.210 nan 0.000 0.577 393 D N 6.132 126.521 120.400 -0.019 0.000 2.412 393 D HA 0.167 4.765 4.640 -0.071 0.000 0.224 393 D C 1.184 177.475 176.300 -0.015 0.000 1.093 393 D CA -0.481 53.512 54.000 -0.011 0.000 0.850 393 D CB 0.775 41.566 40.800 -0.015 0.000 1.046 393 D HN 0.254 nan 8.370 nan 0.000 0.507 394 R N 3.863 124.358 120.500 -0.010 0.000 2.096 394 R HA -0.107 4.190 4.340 -0.071 0.000 0.240 394 R C -0.897 175.394 176.300 -0.014 0.000 1.139 394 R CA 1.245 57.337 56.100 -0.013 0.000 0.952 394 R CB -1.952 28.343 30.300 -0.009 0.000 0.854 394 R HN 0.484 nan 8.270 nan 0.000 0.436 395 P HA 0.012 nan 4.420 nan 0.000 0.225 395 P C 0.520 177.813 177.300 -0.012 0.000 1.148 395 P CA 1.149 64.246 63.100 -0.005 0.000 0.779 395 P CB 0.078 31.782 31.700 0.007 0.000 0.780 396 S N -1.067 114.620 115.700 -0.021 0.000 2.597 396 S HA 0.347 4.774 4.470 -0.071 0.000 0.224 396 S C 0.982 175.555 174.600 -0.045 0.000 0.955 396 S CA -0.008 58.172 58.200 -0.033 0.000 0.933 396 S CB -0.121 63.050 63.200 -0.050 0.000 0.788 396 S HN 0.092 nan 8.310 nan 0.000 0.488 397 A N 3.125 125.919 122.820 -0.043 0.000 3.248 397 A HA 0.462 4.740 4.320 -0.071 0.000 0.315 397 A C -2.702 174.846 177.584 -0.060 0.000 0.974 397 A CA -1.441 50.563 52.037 -0.055 0.000 0.939 397 A CB 0.057 19.028 19.000 -0.048 0.000 1.061 397 A HN 0.151 nan 8.150 nan 0.000 0.481 398 P HA 0.249 nan 4.420 nan 0.000 0.269 398 P C 0.332 177.583 177.300 -0.083 0.000 1.209 398 P CA 0.256 63.316 63.100 -0.068 0.000 0.776 398 P CB 0.844 32.498 31.700 -0.077 0.000 0.876 399 A N 2.641 125.419 122.820 -0.070 0.000 2.531 399 A HA 0.359 4.637 4.320 -0.071 0.000 0.236 399 A C 0.389 177.915 177.584 -0.097 0.000 1.062 399 A CA -0.042 51.950 52.037 -0.075 0.000 0.760 399 A CB -0.272 18.692 19.000 -0.060 0.000 0.995 399 A HN 0.529 nan 8.150 nan 0.000 0.501 400 V N 0.187 120.035 119.914 -0.111 0.000 2.823 400 V HA 0.836 4.914 4.120 -0.071 0.000 0.312 400 V C 0.156 176.181 176.094 -0.115 0.000 1.072 400 V CA -0.402 61.820 62.300 -0.130 0.000 0.937 400 V CB 1.516 33.229 31.823 -0.183 0.000 1.013 400 V HN 1.774 nan 8.190 nan 0.000 0.430 401 A N 5.321 128.074 122.820 -0.112 0.000 2.396 401 A HA 0.485 4.763 4.320 -0.071 0.000 0.279 401 A C 0.811 178.317 177.584 -0.129 0.000 1.165 401 A CA -0.033 51.936 52.037 -0.113 0.000 0.824 401 A CB 0.373 19.311 19.000 -0.102 0.000 1.100 401 A HN 1.296 nan 8.150 nan 0.000 0.516 402 M N 3.903 123.416 119.600 -0.145 0.000 2.229 402 M HA -0.017 4.420 4.480 -0.071 0.000 0.264 402 M C 0.441 176.620 176.300 -0.203 0.000 1.063 402 M CA 1.435 56.649 55.300 -0.144 0.000 1.114 402 M CB -0.419 32.096 32.600 -0.142 0.000 1.387 402 M HN 0.345 nan 8.290 nan 0.000 0.420 403 V N 2.475 122.198 119.914 -0.318 0.000 2.432 403 V HA 0.180 4.258 4.120 -0.071 0.000 0.271 403 V C 0.354 176.358 176.094 -0.150 0.000 1.046 403 V CA -0.612 61.437 62.300 -0.418 0.000 0.945 403 V CB 0.064 31.594 31.823 -0.489 0.000 0.992 403 V HN 0.229 nan 8.190 nan 0.000 0.471 404 L N 7.357 128.581 121.223 0.002 0.000 2.466 404 L HA 0.395 4.693 4.340 -0.071 0.000 0.257 404 L C -1.491 175.364 176.870 -0.025 0.000 1.189 404 L CA -1.441 53.404 54.840 0.009 0.000 0.813 404 L CB 0.199 42.298 42.059 0.067 0.000 1.118 404 L HN 0.478 nan 8.230 nan 0.000 0.471 405 P HA 0.287 nan 4.420 nan 0.000 0.273 405 P C -1.136 176.154 177.300 -0.016 0.000 1.250 405 P CA -0.342 62.742 63.100 -0.026 0.000 0.793 405 P CB 0.989 32.675 31.700 -0.024 0.000 1.011 406 K N 0.000 120.397 120.400 -0.005 0.000 2.780 406 K HA 0.000 4.278 4.320 -0.071 0.000 0.191 406 K CA 0.000 56.273 56.287 -0.023 0.000 0.838 406 K CB 0.000 32.469 32.500 -0.052 0.000 1.064 406 K HN 0.000 nan 8.250 nan 0.000 0.543