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 3fcs_1_D DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKGSGXXXQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcAcQAQ AEPNSHRcNN DATA SEQUENCE GNGTFEcGVc RcGPGWLGSQ cEcSEEXXXX XXQDEcSPRE GQPVcSQRGE DATA SEQUENCE cLcGQcVcHS SDFGKITGKY cEcDDFScVR YKGEMcSGHG QcScGDcLcD DATA SEQUENCE SDWTGYYcNc TTRTDTcMSS NGLLcSGRGK cEcGScVcIQ PGSYGDTcEK DATA SEQUENCE CPTCPDACTF KK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.897 174.900 -0.005 0.000 0.946 1 G CA 0.000 45.095 45.100 -0.009 0.000 0.502 2 P HA 0.313 nan 4.420 nan 0.000 0.267 2 P C -0.513 176.791 177.300 0.008 0.000 1.205 2 P CA 0.045 63.150 63.100 0.007 0.000 0.765 2 P CB 0.563 32.272 31.700 0.014 0.000 0.828 3 N N 0.835 119.540 118.700 0.010 0.000 2.927 3 N HA 0.195 4.935 4.740 -0.000 0.000 0.248 3 N C 0.397 175.918 175.510 0.018 0.000 1.443 3 N CA -0.944 52.114 53.050 0.013 0.000 0.870 3 N CB 0.186 38.678 38.487 0.009 0.000 1.444 3 N HN 0.169 nan 8.380 nan 0.000 0.519 4 I N -0.067 120.516 120.570 0.022 0.000 2.300 4 I HA -0.337 3.833 4.170 -0.000 0.000 0.252 4 I C 0.939 177.074 176.117 0.030 0.000 1.119 4 I CA 1.624 62.940 61.300 0.025 0.000 1.384 4 I CB -0.122 37.896 38.000 0.029 0.000 1.062 4 I HN 0.727 nan 8.210 nan 0.000 0.426 5 c N 0.256 118.877 118.600 0.035 0.000 2.466 5 c HA -0.114 4.455 4.570 -0.000 0.000 0.278 5 c C 2.926 177.041 174.090 0.042 0.000 1.288 5 c CA 1.325 57.684 56.329 0.049 0.000 1.722 5 c CB -1.510 41.033 42.510 0.055 0.000 2.017 5 c HN 0.677 nan 8.230 nan 0.000 0.488 6 T N -0.331 114.236 114.554 0.022 0.000 2.770 6 T HA -0.131 4.219 4.350 -0.000 0.000 0.263 6 T C 1.288 175.990 174.700 0.002 0.000 1.039 6 T CA 2.023 64.129 62.100 0.009 0.000 1.142 6 T CB -0.951 67.916 68.868 -0.001 0.000 0.868 6 T HN 0.580 nan 8.240 nan 0.000 0.435 7 T N -0.700 113.855 114.554 0.001 0.000 3.268 7 T HA 0.553 4.903 4.350 -0.000 0.000 0.244 7 T C 0.786 175.470 174.700 -0.026 0.000 0.915 7 T CA -0.805 61.285 62.100 -0.016 0.000 0.935 7 T CB 0.018 68.892 68.868 0.011 0.000 1.110 7 T HN 0.399 nan 8.240 nan 0.000 0.573 8 R N -0.360 120.129 120.500 -0.020 0.000 5.460 8 R HA 0.330 4.670 4.340 -0.000 0.000 0.090 8 R C 0.677 176.970 176.300 -0.011 0.000 0.840 8 R CA -0.085 56.004 56.100 -0.020 0.000 0.937 8 R CB -0.031 30.269 30.300 0.001 0.000 1.335 8 R HN 0.298 nan 8.270 nan 0.000 0.387 9 G N 1.526 110.339 108.800 0.021 0.000 2.873 9 G HA2 0.440 4.400 3.960 -0.000 0.000 0.340 9 G HA3 0.440 4.400 3.960 -0.000 0.000 0.340 9 G C -0.181 174.777 174.900 0.098 0.000 1.171 9 G CA -0.176 44.947 45.100 0.037 0.000 1.113 9 G HN 0.067 nan 8.290 nan 0.000 0.471 10 V N 1.597 121.569 119.914 0.097 0.000 2.933 10 V HA 0.144 4.264 4.120 -0.000 0.000 0.374 10 V C 1.486 177.700 176.094 0.199 0.000 1.321 10 V CA 0.423 62.830 62.300 0.179 0.000 1.290 10 V CB 0.119 31.994 31.823 0.087 0.000 1.346 10 V HN 0.598 nan 8.190 nan 0.000 0.560 11 S N 0.917 116.698 115.700 0.135 0.000 2.444 11 S HA 0.158 4.628 4.470 -0.000 0.000 0.223 11 S C 1.094 175.715 174.600 0.036 0.000 1.054 11 S CA 0.836 59.084 58.200 0.079 0.000 0.947 11 S CB 0.364 63.574 63.200 0.017 0.000 0.850 11 S HN 0.757 nan 8.310 nan 0.000 0.527 12 S N -1.058 114.549 115.700 -0.154 0.000 2.697 12 S HA 0.410 4.880 4.470 -0.000 0.000 0.289 12 S C 0.776 174.705 174.600 -1.118 0.000 1.149 12 S CA -0.171 57.743 58.200 -0.476 0.000 0.850 12 S CB 0.666 63.683 63.200 -0.305 0.000 1.151 12 S HN 0.379 nan 8.310 nan 0.000 0.491 13 c N 0.249 117.978 118.600 -1.452 0.000 2.457 13 c HA 0.034 4.604 4.570 -0.000 0.000 0.278 13 c C 2.623 176.306 174.090 -0.679 0.000 1.309 13 c CA 1.613 56.951 56.329 -1.651 0.000 1.735 13 c CB -1.535 40.175 42.510 -1.333 0.000 1.992 13 c HN 1.009 nan 8.230 nan 0.000 0.493 14 Q N -0.226 119.305 119.800 -0.448 0.000 2.079 14 Q HA -0.198 4.142 4.340 -0.000 0.000 0.200 14 Q C 2.375 178.270 176.000 -0.175 0.000 0.974 14 Q CA 1.614 57.272 55.803 -0.241 0.000 0.840 14 Q CB -0.166 28.465 28.738 -0.180 0.000 0.898 14 Q HN 0.726 nan 8.270 nan 0.000 0.430 15 Q N -0.515 119.174 119.800 -0.186 0.000 2.135 15 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 15 Q C 2.414 178.378 176.000 -0.061 0.000 0.981 15 Q CA 1.383 57.124 55.803 -0.104 0.000 0.856 15 Q CB -0.337 28.347 28.738 -0.090 0.000 0.902 15 Q HN 0.500 nan 8.270 nan 0.000 0.425 16 c N 0.593 119.144 118.600 -0.081 0.000 2.413 16 c HA -0.133 4.437 4.570 -0.000 0.000 0.276 16 c C 2.491 176.618 174.090 0.061 0.000 1.236 16 c CA 0.711 57.074 56.329 0.056 0.000 1.735 16 c CB -1.004 41.632 42.510 0.209 0.000 2.031 16 c HN 0.480 nan 8.230 nan 0.000 0.474 17 L N 1.203 122.435 121.223 0.014 0.000 2.093 17 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 17 L C 3.018 179.901 176.870 0.023 0.000 1.085 17 L CA 1.586 56.447 54.840 0.035 0.000 0.755 17 L CB -0.840 41.218 42.059 -0.002 0.000 0.904 17 L HN 0.439 nan 8.230 nan 0.000 0.435 18 A N -0.298 122.520 122.820 -0.004 0.000 2.019 18 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 18 A C 2.355 179.947 177.584 0.012 0.000 1.164 18 A CA 1.343 53.378 52.037 -0.004 0.000 0.644 18 A CB -0.660 18.327 19.000 -0.022 0.000 0.805 18 A HN 0.196 nan 8.150 nan 0.000 0.449 19 V N -0.939 118.989 119.914 0.024 0.000 2.255 19 V HA -0.070 4.050 4.120 -0.000 0.000 0.247 19 V C 1.288 177.406 176.094 0.040 0.000 1.051 19 V CA 1.959 64.278 62.300 0.031 0.000 1.018 19 V CB -0.414 31.436 31.823 0.044 0.000 0.641 19 V HN 0.617 nan 8.190 nan 0.000 0.445 20 S N -2.859 112.875 115.700 0.057 0.000 2.543 20 S HA 0.383 4.853 4.470 -0.000 0.000 0.274 20 S C -2.562 172.092 174.600 0.089 0.000 1.149 20 S CA -0.690 57.550 58.200 0.066 0.000 0.866 20 S CB 1.866 65.106 63.200 0.067 0.000 1.111 20 S HN -0.001 nan 8.310 nan 0.000 0.457 21 P HA -0.097 nan 4.420 nan 0.000 0.219 21 P C 1.532 178.947 177.300 0.191 0.000 1.146 21 P CA 1.312 64.464 63.100 0.087 0.000 0.808 21 P CB -0.157 31.580 31.700 0.062 0.000 0.779 22 M N -3.277 116.445 119.600 0.203 0.000 2.419 22 M HA 0.050 4.530 4.480 -0.000 0.000 0.264 22 M C 0.392 176.864 176.300 0.287 0.000 1.082 22 M CA 0.923 56.383 55.300 0.267 0.000 1.119 22 M CB -1.111 31.570 32.600 0.134 0.000 1.398 22 M HN -0.260 nan 8.290 nan 0.000 0.453 23 c N 3.228 121.970 118.600 0.236 0.000 2.662 23 c HA 0.660 5.230 4.570 -0.000 0.000 0.420 23 c C 1.007 175.290 174.090 0.321 0.000 1.314 23 c CA -0.545 55.903 56.329 0.198 0.000 1.963 23 c CB -0.270 42.336 42.510 0.160 0.000 2.686 23 c HN 0.595 nan 8.230 nan 0.000 0.609 24 A N 3.601 126.542 122.820 0.203 0.000 2.430 24 A HA 0.887 5.207 4.320 -0.000 0.000 0.300 24 A C -1.212 176.528 177.584 0.260 0.000 1.124 24 A CA -0.448 51.748 52.037 0.265 0.000 0.766 24 A CB 1.316 20.317 19.000 0.001 0.000 1.328 24 A HN 0.984 nan 8.150 nan 0.000 0.424 25 W N 1.063 122.404 121.300 0.068 0.000 2.883 25 W HA 0.527 5.187 4.660 -0.000 0.000 0.335 25 W C -1.683 174.845 176.519 0.016 0.000 1.083 25 W CA -0.789 56.573 57.345 0.028 0.000 1.233 25 W CB 1.733 31.208 29.460 0.025 0.000 1.412 25 W HN 0.855 nan 8.180 nan 0.000 0.490 26 c N 4.684 122.868 118.600 -0.693 0.000 2.281 26 c HA 0.483 5.053 4.570 -0.000 0.000 0.323 26 c C 0.921 174.676 174.090 -0.558 0.000 1.270 26 c CA -0.135 55.921 56.329 -0.455 0.000 1.559 26 c CB 0.422 42.719 42.510 -0.355 0.000 2.239 26 c HN 0.616 nan 8.230 nan 0.000 0.488 27 S N 2.762 118.378 115.700 -0.140 0.000 2.605 27 S HA 0.046 4.516 4.470 -0.000 0.000 0.217 27 S C 0.233 174.825 174.600 -0.013 0.000 0.958 27 S CA -0.026 58.185 58.200 0.019 0.000 0.919 27 S CB -0.414 62.887 63.200 0.167 0.000 0.780 27 S HN 0.912 nan 8.310 nan 0.000 0.507 28 D N 2.477 122.842 120.400 -0.058 0.000 2.401 28 D HA 0.041 4.681 4.640 -0.000 0.000 0.254 28 D C 0.856 177.150 176.300 -0.010 0.000 1.192 28 D CA 0.241 54.227 54.000 -0.023 0.000 0.885 28 D CB 0.697 41.473 40.800 -0.040 0.000 1.147 28 D HN 0.279 nan 8.370 nan 0.000 0.478 29 E N 2.337 122.563 120.200 0.042 0.000 2.204 29 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 29 E C 1.459 178.082 176.600 0.037 0.000 0.989 29 E CA 0.655 57.101 56.400 0.075 0.000 0.824 29 E CB 0.134 29.910 29.700 0.126 0.000 0.756 29 E HN 0.535 nan 8.360 nan 0.000 0.477 30 A N 1.004 123.834 122.820 0.017 0.000 2.235 30 A HA 0.011 4.331 4.320 -0.000 0.000 0.208 30 A C 0.961 178.537 177.584 -0.012 0.000 1.172 30 A CA -0.103 51.937 52.037 0.005 0.000 0.786 30 A CB -0.217 18.784 19.000 0.003 0.000 0.804 30 A HN 0.143 nan 8.150 nan 0.000 0.479 31 L N 1.259 122.465 121.223 -0.028 0.000 2.490 31 L HA 0.262 4.602 4.340 -0.000 0.000 0.274 31 L C -2.196 174.651 176.870 -0.038 0.000 1.201 31 L CA -1.330 53.480 54.840 -0.050 0.000 0.869 31 L CB 0.011 42.015 42.059 -0.092 0.000 1.123 31 L HN 0.045 nan 8.230 nan 0.000 0.484 32 P HA 0.065 nan 4.420 nan 0.000 0.269 32 P C 0.731 178.012 177.300 -0.032 0.000 1.215 32 P CA -0.142 62.941 63.100 -0.028 0.000 0.780 32 P CB 0.566 32.250 31.700 -0.027 0.000 0.898 33 L N 1.276 122.488 121.223 -0.019 0.000 2.109 33 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 33 L C 2.519 179.376 176.870 -0.021 0.000 1.086 33 L CA 1.754 56.584 54.840 -0.017 0.000 0.760 33 L CB -1.012 41.046 42.059 -0.001 0.000 0.910 33 L HN 0.598 nan 8.230 nan 0.000 0.437 34 G N -0.733 108.057 108.800 -0.018 0.000 2.442 34 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.219 34 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.219 34 G C 0.842 175.725 174.900 -0.027 0.000 1.141 34 G CA 0.296 45.386 45.100 -0.017 0.000 0.763 34 G HN 0.329 nan 8.290 nan 0.000 0.554 35 S N 1.694 117.371 115.700 -0.039 0.000 2.576 35 S HA 0.404 4.874 4.470 -0.000 0.000 0.276 35 S C -2.136 172.420 174.600 -0.073 0.000 1.339 35 S CA -0.813 57.355 58.200 -0.053 0.000 1.039 35 S CB 1.570 64.733 63.200 -0.062 0.000 0.902 35 S HN 0.207 nan 8.310 nan 0.000 0.516 36 P HA 0.371 nan 4.420 nan 0.000 0.284 36 P C 0.013 177.213 177.300 -0.167 0.000 1.253 36 P CA -0.580 62.463 63.100 -0.095 0.000 0.800 36 P CB 1.124 32.787 31.700 -0.061 0.000 0.961 37 R N 0.963 121.308 120.500 -0.258 0.000 2.080 37 R HA 0.065 4.405 4.340 -0.000 0.000 0.222 37 R C 0.621 176.665 176.300 -0.427 0.000 1.107 37 R CA 0.746 56.533 56.100 -0.521 0.000 0.980 37 R CB -0.353 29.359 30.300 -0.980 0.000 0.879 37 R HN 0.485 nan 8.270 nan 0.000 0.439 38 c N 2.122 120.632 118.600 -0.150 0.000 2.349 38 c HA 0.309 4.879 4.570 -0.000 0.000 0.348 38 c C -0.547 173.561 174.090 0.030 0.000 1.223 38 c CA -0.343 56.047 56.329 0.102 0.000 1.746 38 c CB -0.539 42.145 42.510 0.291 0.000 2.360 38 c HN 0.368 nan 8.230 nan 0.000 0.533 39 D N 2.681 123.090 120.400 0.016 0.000 2.779 39 D HA 0.348 4.988 4.640 -0.000 0.000 0.331 39 D C -1.002 175.277 176.300 -0.035 0.000 1.331 39 D CA -0.455 53.535 54.000 -0.017 0.000 0.866 39 D CB 0.925 41.692 40.800 -0.054 0.000 1.409 39 D HN 0.485 nan 8.370 nan 0.000 0.486 40 L N 1.747 122.932 121.223 -0.064 0.000 2.467 40 L HA 0.228 4.567 4.340 -0.000 0.000 0.270 40 L C 2.042 178.795 176.870 -0.195 0.000 1.205 40 L CA -0.100 54.664 54.840 -0.127 0.000 0.828 40 L CB 0.495 42.495 42.059 -0.098 0.000 1.101 40 L HN 0.501 nan 8.230 nan 0.000 0.479 41 K N 1.434 121.619 120.400 -0.359 0.000 2.063 41 K HA -0.185 4.134 4.320 -0.000 0.000 0.208 41 K C 1.626 178.106 176.600 -0.200 0.000 1.048 41 K CA 1.768 57.844 56.287 -0.352 0.000 0.928 41 K CB 0.121 32.265 32.500 -0.594 0.000 0.713 41 K HN 0.624 nan 8.250 nan 0.000 0.442 42 E N 0.164 120.260 120.200 -0.173 0.000 2.085 42 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 42 E C 1.818 178.367 176.600 -0.085 0.000 0.994 42 E CA 1.313 57.650 56.400 -0.106 0.000 0.801 42 E CB -0.054 29.596 29.700 -0.084 0.000 0.743 42 E HN 0.339 nan 8.360 nan 0.000 0.453 43 N N 0.573 119.220 118.700 -0.087 0.000 2.216 43 N HA -0.087 4.653 4.740 -0.000 0.000 0.183 43 N C 1.881 177.346 175.510 -0.075 0.000 1.017 43 N CA 0.732 53.740 53.050 -0.070 0.000 0.861 43 N CB -0.205 38.244 38.487 -0.063 0.000 0.986 43 N HN 0.139 nan 8.380 nan 0.000 0.428 44 L N 0.395 121.562 121.223 -0.093 0.000 2.083 44 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 44 L C 2.044 178.867 176.870 -0.078 0.000 1.083 44 L CA 0.839 55.621 54.840 -0.096 0.000 0.752 44 L CB -0.413 41.579 42.059 -0.110 0.000 0.899 44 L HN 0.136 nan 8.230 nan 0.000 0.433 45 L N -0.474 120.705 121.223 -0.074 0.000 2.093 45 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 45 L C 2.496 179.339 176.870 -0.046 0.000 1.085 45 L CA 1.174 55.981 54.840 -0.056 0.000 0.755 45 L CB -0.392 41.635 42.059 -0.053 0.000 0.904 45 L HN 0.178 nan 8.230 nan 0.000 0.435 46 K N -0.141 120.230 120.400 -0.048 0.000 2.280 46 K HA -0.138 4.182 4.320 -0.000 0.000 0.202 46 K C 0.643 177.221 176.600 -0.037 0.000 1.047 46 K CA 1.005 57.269 56.287 -0.039 0.000 0.942 46 K CB -0.036 32.442 32.500 -0.037 0.000 0.739 46 K HN 0.215 nan 8.250 nan 0.000 0.457 47 D N 0.184 120.557 120.400 -0.046 0.000 2.336 47 D HA -0.012 4.628 4.640 -0.000 0.000 0.228 47 D C -0.330 175.944 176.300 -0.043 0.000 1.120 47 D CA 0.099 54.072 54.000 -0.045 0.000 0.839 47 D CB -0.144 40.623 40.800 -0.056 0.000 0.932 47 D HN 0.044 nan 8.370 nan 0.000 0.509 48 N N 0.164 118.841 118.700 -0.039 0.000 2.735 48 N HA -0.225 4.515 4.740 -0.000 0.000 0.248 48 N C -0.521 174.967 175.510 -0.036 0.000 1.083 48 N CA 0.206 53.236 53.050 -0.032 0.000 0.703 48 N CB -1.776 36.696 38.487 -0.025 0.000 1.005 48 N HN 0.322 nan 8.380 nan 0.000 0.550 49 c N 0.564 119.135 118.600 -0.048 0.000 2.657 49 c HA 0.597 5.167 4.570 -0.000 0.000 0.420 49 c C 1.438 175.508 174.090 -0.034 0.000 1.323 49 c CA -0.147 56.150 56.329 -0.054 0.000 1.894 49 c CB -1.174 41.288 42.510 -0.079 0.000 2.681 49 c HN 0.639 nan 8.230 nan 0.000 0.613 50 A N 8.081 130.886 122.820 -0.024 0.000 2.515 50 A HA 0.309 4.629 4.320 -0.000 0.000 0.263 50 A C -1.087 176.497 177.584 -0.001 0.000 1.096 50 A CA -0.577 51.455 52.037 -0.008 0.000 0.769 50 A CB -0.231 18.770 19.000 0.001 0.000 1.040 50 A HN 0.840 nan 8.150 nan 0.000 0.505 51 P HA -0.216 nan 4.420 nan 0.000 0.216 51 P C 0.998 178.314 177.300 0.028 0.000 1.154 51 P CA 1.661 64.768 63.100 0.012 0.000 0.865 51 P CB 0.192 31.899 31.700 0.012 0.000 0.789 52 E N -1.196 119.020 120.200 0.027 0.000 2.427 52 E HA -0.051 4.299 4.350 -0.000 0.000 0.196 52 E C 1.843 178.469 176.600 0.045 0.000 1.028 52 E CA 0.544 56.966 56.400 0.036 0.000 0.864 52 E CB -0.300 29.418 29.700 0.030 0.000 0.813 52 E HN 0.187 nan 8.360 nan 0.000 0.514 53 S N 0.338 116.061 115.700 0.038 0.000 2.501 53 S HA 0.054 4.524 4.470 -0.000 0.000 0.220 53 S C 0.864 175.504 174.600 0.067 0.000 0.997 53 S CA -0.217 58.011 58.200 0.047 0.000 0.919 53 S CB 0.074 63.288 63.200 0.023 0.000 0.778 53 S HN 0.071 nan 8.310 nan 0.000 0.523 54 I N 3.111 123.718 120.570 0.061 0.000 2.452 54 I HA 0.153 4.323 4.170 -0.000 0.000 0.287 54 I C -0.075 176.135 176.117 0.155 0.000 1.079 54 I CA -0.081 61.272 61.300 0.089 0.000 1.387 54 I CB 0.628 38.664 38.000 0.061 0.000 1.404 54 I HN 0.194 nan 8.210 nan 0.000 0.522 55 E N 7.250 127.584 120.200 0.225 0.000 2.044 55 E HA 0.222 4.572 4.350 -0.000 0.000 0.282 55 E C -1.056 175.729 176.600 0.309 0.000 1.031 55 E CA -0.221 56.318 56.400 0.231 0.000 0.824 55 E CB 1.459 31.301 29.700 0.236 0.000 1.076 55 E HN 0.364 nan 8.360 nan 0.000 0.395 56 F N 5.787 125.780 119.950 0.071 0.000 3.228 56 F HA 0.257 4.783 4.527 -0.000 0.000 0.390 56 F C -2.501 173.323 175.800 0.041 0.000 1.235 56 F CA -2.106 55.929 58.000 0.058 0.000 1.236 56 F CB 1.056 40.087 39.000 0.051 0.000 1.855 56 F HN 0.149 nan 8.300 nan 0.000 0.647 57 P HA 0.433 nan 4.420 nan 0.000 0.279 57 P C -1.115 175.860 177.300 -0.541 0.000 1.239 57 P CA -0.208 62.708 63.100 -0.307 0.000 0.789 57 P CB 2.289 33.895 31.700 -0.156 0.000 0.933 58 V N 1.798 121.485 119.914 -0.378 0.000 2.581 58 V HA 0.247 4.367 4.120 -0.000 0.000 0.303 58 V C 0.574 176.575 176.094 -0.155 0.000 1.041 58 V CA -0.593 61.520 62.300 -0.311 0.000 0.907 58 V CB 1.717 33.413 31.823 -0.212 0.000 0.994 58 V HN 0.592 nan 8.190 nan 0.000 0.442 59 S N 3.541 119.176 115.700 -0.108 0.000 2.562 59 S HA 0.388 4.858 4.470 -0.000 0.000 0.281 59 S C -0.048 174.525 174.600 -0.046 0.000 1.333 59 S CA -0.451 57.713 58.200 -0.059 0.000 1.052 59 S CB 0.393 63.579 63.200 -0.024 0.000 0.884 59 S HN 0.935 nan 8.310 nan 0.000 0.506 60 E N 0.050 120.220 120.200 -0.048 0.000 2.459 60 E HA 0.773 5.123 4.350 -0.000 0.000 0.275 60 E C -1.625 174.939 176.600 -0.061 0.000 0.987 60 E CA -1.519 54.855 56.400 -0.043 0.000 0.828 60 E CB 1.620 31.292 29.700 -0.047 0.000 1.428 60 E HN 0.509 nan 8.360 nan 0.000 0.457 61 A N 1.486 124.268 122.820 -0.062 0.000 2.855 61 A HA 0.399 4.719 4.320 -0.000 0.000 0.313 61 A C -0.811 176.714 177.584 -0.097 0.000 1.173 61 A CA -0.617 51.353 52.037 -0.111 0.000 0.753 61 A CB 0.513 19.448 19.000 -0.108 0.000 1.200 61 A HN 0.527 nan 8.150 nan 0.000 0.442 62 R N 2.162 122.600 120.500 -0.105 0.000 2.316 62 R HA 0.423 4.763 4.340 -0.000 0.000 0.314 62 R C -0.758 175.486 176.300 -0.094 0.000 1.069 62 R CA -0.173 55.878 56.100 -0.082 0.000 0.959 62 R CB 0.561 30.816 30.300 -0.075 0.000 0.987 62 R HN 0.358 nan 8.270 nan 0.000 0.446 63 V N 7.983 127.857 119.914 -0.066 0.000 2.421 63 V HA -0.022 4.098 4.120 -0.000 0.000 0.271 63 V C 1.359 177.418 176.094 -0.057 0.000 1.031 63 V CA 0.240 62.504 62.300 -0.061 0.000 1.032 63 V CB 0.748 32.553 31.823 -0.030 0.000 1.009 63 V HN 0.864 nan 8.190 nan 0.000 0.477 64 L N 3.510 124.691 121.223 -0.070 0.000 2.102 64 L HA 0.191 4.531 4.340 -0.000 0.000 0.202 64 L C 0.920 177.764 176.870 -0.044 0.000 1.076 64 L CA 1.033 55.837 54.840 -0.060 0.000 0.761 64 L CB 0.027 42.042 42.059 -0.074 0.000 0.921 64 L HN 0.589 nan 8.230 nan 0.000 0.444 65 E N -0.357 119.817 120.200 -0.042 0.000 2.227 65 E HA 0.341 4.691 4.350 -0.000 0.000 0.268 65 E C -1.169 175.419 176.600 -0.020 0.000 0.907 65 E CA -0.392 55.991 56.400 -0.028 0.000 0.786 65 E CB 2.240 31.923 29.700 -0.027 0.000 1.191 65 E HN -0.096 nan 8.360 nan 0.000 0.411 66 D N 1.736 122.128 120.400 -0.013 0.000 2.634 66 D HA 0.100 4.740 4.640 -0.000 0.000 0.236 66 D C -1.320 174.976 176.300 -0.006 0.000 1.323 66 D CA -0.347 53.650 54.000 -0.006 0.000 0.884 66 D CB 0.321 41.118 40.800 -0.005 0.000 1.496 66 D HN 0.224 nan 8.370 nan 0.000 0.525 67 R N 2.650 123.146 120.500 -0.006 0.000 2.297 67 R HA 0.494 4.834 4.340 -0.000 0.000 0.308 67 R C -2.254 174.041 176.300 -0.009 0.000 1.029 67 R CA -1.673 54.423 56.100 -0.007 0.000 0.929 67 R CB 0.945 31.242 30.300 -0.006 0.000 1.046 67 R HN 0.167 nan 8.270 nan 0.000 0.461 68 P HA -0.044 nan 4.420 nan 0.000 0.267 68 P C -0.343 176.946 177.300 -0.018 0.000 1.200 68 P CA 0.146 63.238 63.100 -0.012 0.000 0.772 68 P CB 0.505 32.199 31.700 -0.010 0.000 0.855 69 L N 1.471 122.677 121.223 -0.027 0.000 2.439 69 L HA 0.110 4.450 4.340 -0.000 0.000 0.269 69 L C 0.998 177.848 176.870 -0.034 0.000 1.179 69 L CA 0.002 54.817 54.840 -0.042 0.000 0.828 69 L CB 0.043 42.068 42.059 -0.056 0.000 1.106 69 L HN 0.389 nan 8.230 nan 0.000 0.467 70 S N 0.714 116.391 115.700 -0.038 0.000 2.593 70 S HA 0.060 4.529 4.470 -0.000 0.000 0.269 70 S C 0.276 174.866 174.600 -0.018 0.000 1.334 70 S CA -0.731 57.458 58.200 -0.018 0.000 1.015 70 S CB 1.103 64.301 63.200 -0.002 0.000 0.912 70 S HN 0.578 nan 8.310 nan 0.000 0.541 71 D N 0.383 120.782 120.400 -0.002 0.000 2.324 71 D HA 0.144 4.784 4.640 -0.000 0.000 0.212 71 D C -0.047 176.263 176.300 0.018 0.000 0.984 71 D CA 0.899 54.900 54.000 0.002 0.000 0.885 71 D CB 0.302 41.105 40.800 0.004 0.000 0.996 71 D HN 0.207 nan 8.370 nan 0.000 0.505 72 K N 0.285 120.705 120.400 0.033 0.000 2.482 72 K HA 0.488 4.808 4.320 -0.000 0.000 0.251 72 K C -0.075 176.578 176.600 0.088 0.000 0.936 72 K CA -0.628 55.693 56.287 0.057 0.000 0.791 72 K CB 2.346 34.874 32.500 0.045 0.000 1.213 72 K HN -0.106 nan 8.250 nan 0.000 0.428 73 G N 1.326 110.212 108.800 0.144 0.000 3.343 73 G HA2 0.265 4.225 3.960 -0.000 0.000 0.264 73 G HA3 0.265 4.225 3.960 -0.000 0.000 0.264 73 G C -0.575 174.399 174.900 0.123 0.000 0.884 73 G CA -0.012 45.227 45.100 0.231 0.000 1.916 73 G HN 0.289 nan 8.290 nan 0.000 0.618 74 S N -0.412 115.337 115.700 0.082 0.000 2.603 74 S HA 0.797 5.267 4.470 -0.000 0.000 0.274 74 S C 0.289 174.912 174.600 0.038 0.000 1.168 74 S CA 0.139 58.365 58.200 0.044 0.000 0.963 74 S CB 1.689 64.910 63.200 0.035 0.000 1.078 74 S HN 1.727 nan 8.310 nan 0.000 0.477 80 V N 2.305 122.271 119.914 0.087 0.000 2.763 80 V HA 0.423 4.542 4.120 -0.000 0.000 0.306 80 V C -0.141 175.979 176.094 0.044 0.000 1.059 80 V CA 0.585 62.940 62.300 0.092 0.000 1.138 80 V CB 0.986 32.934 31.823 0.208 0.000 0.940 80 V HN 0.782 nan 8.190 nan 0.000 0.489 81 T N 5.054 119.604 114.554 -0.007 0.000 2.841 81 T HA 0.463 4.813 4.350 -0.000 0.000 0.285 81 T C 0.098 174.732 174.700 -0.110 0.000 0.991 81 T CA -0.512 61.561 62.100 -0.044 0.000 0.966 81 T CB 1.770 70.623 68.868 -0.026 0.000 0.962 81 T HN 0.727 nan 8.240 nan 0.000 0.438 82 Q N 1.013 120.713 119.800 -0.167 0.000 2.103 82 Q HA 0.349 4.689 4.340 -0.000 0.000 0.219 82 Q C -0.652 175.232 176.000 -0.194 0.000 0.784 82 Q CA -0.067 55.580 55.803 -0.259 0.000 1.014 82 Q CB 1.468 29.892 28.738 -0.525 0.000 1.183 82 Q HN 0.388 nan 8.270 nan 0.000 0.469 83 V N 0.741 120.591 119.914 -0.107 0.000 2.532 83 V HA 0.402 4.522 4.120 -0.000 0.000 0.294 83 V C -1.036 175.049 176.094 -0.015 0.000 1.036 83 V CA -0.567 61.705 62.300 -0.046 0.000 0.876 83 V CB 1.879 33.689 31.823 -0.022 0.000 1.012 83 V HN -0.000 nan 8.190 nan 0.000 0.432 84 S N 7.100 122.801 115.700 0.002 0.000 2.594 84 S HA 0.755 5.225 4.470 -0.000 0.000 0.296 84 S C -2.773 171.852 174.600 0.042 0.000 1.124 84 S CA -1.330 56.877 58.200 0.013 0.000 1.011 84 S CB 2.333 65.532 63.200 -0.002 0.000 1.016 84 S HN 0.554 nan 8.310 nan 0.000 0.485 85 P HA 0.373 nan 4.420 nan 0.000 0.276 85 P C -0.339 176.976 177.300 0.026 0.000 1.261 85 P CA -0.297 62.822 63.100 0.031 0.000 0.800 85 P CB 0.810 32.529 31.700 0.032 0.000 1.066 86 Q N -0.710 119.092 119.800 0.002 0.000 2.349 86 Q HA 0.182 4.521 4.340 -0.000 0.000 0.209 86 Q C 0.866 176.851 176.000 -0.025 0.000 0.920 86 Q CA 1.009 56.809 55.803 -0.005 0.000 0.901 86 Q CB 0.391 29.123 28.738 -0.009 0.000 1.021 86 Q HN 0.363 nan 8.270 nan 0.000 0.519 87 R N -0.060 120.413 120.500 -0.045 0.000 2.626 87 R HA 0.585 4.925 4.340 -0.000 0.000 0.274 87 R C -1.653 174.577 176.300 -0.117 0.000 1.031 87 R CA -0.368 55.680 56.100 -0.087 0.000 0.898 87 R CB 1.183 31.434 30.300 -0.081 0.000 1.222 87 R HN 0.049 nan 8.270 nan 0.000 0.455 88 I N 1.921 122.377 120.570 -0.190 0.000 2.730 88 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 88 I C -0.597 175.359 176.117 -0.267 0.000 1.089 88 I CA -1.071 60.084 61.300 -0.242 0.000 1.041 88 I CB 2.355 40.128 38.000 -0.378 0.000 1.235 88 I HN 0.742 nan 8.210 nan 0.000 0.423 89 A N 5.991 128.675 122.820 -0.227 0.000 2.540 89 A HA 0.560 4.880 4.320 -0.000 0.000 0.340 89 A C -0.849 176.598 177.584 -0.229 0.000 1.424 89 A CA -0.332 51.577 52.037 -0.213 0.000 0.940 89 A CB 0.131 19.039 19.000 -0.153 0.000 1.149 89 A HN 0.524 nan 8.150 nan 0.000 0.505 90 L N 2.007 123.061 121.223 -0.282 0.000 2.349 90 L HA 0.538 4.878 4.340 -0.000 0.000 0.275 90 L C 0.470 177.211 176.870 -0.216 0.000 1.115 90 L CA 0.312 55.001 54.840 -0.253 0.000 0.820 90 L CB 0.741 42.636 42.059 -0.274 0.000 1.135 90 L HN 0.680 nan 8.230 nan 0.000 0.445 91 R N 4.984 125.389 120.500 -0.159 0.000 2.514 91 R HA 0.683 5.023 4.340 -0.000 0.000 0.296 91 R C -1.862 174.388 176.300 -0.083 0.000 1.012 91 R CA -0.553 55.459 56.100 -0.146 0.000 0.897 91 R CB 0.967 31.196 30.300 -0.118 0.000 1.184 91 R HN 0.696 nan 8.270 nan 0.000 0.440 92 L N 3.763 124.955 121.223 -0.051 0.000 2.333 92 L HA 0.673 5.013 4.340 -0.000 0.000 0.263 92 L C -0.154 176.764 176.870 0.081 0.000 1.014 92 L CA -1.189 53.673 54.840 0.037 0.000 0.820 92 L CB 2.254 44.380 42.059 0.112 0.000 1.352 92 L HN 0.657 nan 8.230 nan 0.000 0.421 93 R N 0.248 120.780 120.500 0.054 0.000 2.856 93 R HA 0.665 5.005 4.340 -0.000 0.000 0.258 93 R C -2.798 173.537 176.300 0.058 0.000 1.066 93 R CA -2.097 54.028 56.100 0.043 0.000 1.045 93 R CB 0.443 30.730 30.300 -0.022 0.000 1.178 93 R HN 0.141 nan 8.270 nan 0.000 0.499 94 P HA -0.033 nan 4.420 nan 0.000 0.261 94 P C -0.883 176.433 177.300 0.026 0.000 1.183 94 P CA 0.722 63.834 63.100 0.020 0.000 0.761 94 P CB 0.184 31.884 31.700 0.000 0.000 0.785 95 D N -0.671 119.745 120.400 0.026 0.000 3.059 95 D HA -0.189 4.450 4.640 -0.000 0.000 0.220 95 D C 0.062 176.389 176.300 0.045 0.000 1.169 95 D CA 1.389 55.408 54.000 0.032 0.000 0.902 95 D CB -1.047 39.767 40.800 0.024 0.000 1.116 95 D HN 0.425 nan 8.370 nan 0.000 0.417 96 D N -0.343 120.089 120.400 0.053 0.000 2.217 96 D HA 0.541 5.181 4.640 -0.000 0.000 0.248 96 D C -0.177 176.160 176.300 0.063 0.000 1.008 96 D CA -0.299 53.732 54.000 0.051 0.000 0.914 96 D CB 1.232 42.053 40.800 0.037 0.000 1.182 96 D HN 0.034 nan 8.370 nan 0.000 0.451 97 S N 1.080 116.813 115.700 0.055 0.000 2.648 97 S HA 0.820 5.290 4.470 -0.000 0.000 0.305 97 S C -0.656 173.980 174.600 0.060 0.000 1.094 97 S CA -0.878 57.358 58.200 0.060 0.000 0.983 97 S CB 2.431 65.659 63.200 0.046 0.000 1.101 97 S HN 0.369 nan 8.310 nan 0.000 0.514 98 K N 1.054 121.503 120.400 0.081 0.000 2.542 98 K HA 0.446 4.766 4.320 -0.000 0.000 0.259 98 K C -1.835 174.858 176.600 0.156 0.000 0.932 98 K CA -0.426 55.919 56.287 0.096 0.000 0.820 98 K CB 1.372 33.921 32.500 0.081 0.000 1.345 98 K HN 0.879 nan 8.250 nan 0.000 0.432 99 N N 2.502 121.286 118.700 0.141 0.000 2.384 99 N HA 0.662 5.402 4.740 -0.000 0.000 0.301 99 N C -0.996 174.663 175.510 0.248 0.000 1.133 99 N CA -0.445 52.681 53.050 0.126 0.000 0.853 99 N CB 1.036 39.532 38.487 0.015 0.000 1.241 99 N HN 0.443 nan 8.380 nan 0.000 0.502 100 F N -1.987 117.963 119.950 -0.000 0.000 2.678 100 F HA 0.617 5.144 4.527 -0.000 0.000 0.308 100 F C -0.469 175.349 175.800 0.030 0.000 1.118 100 F CA -1.126 56.881 58.000 0.012 0.000 0.959 100 F CB 0.699 39.706 39.000 0.011 0.000 1.305 100 F HN 0.556 nan 8.300 nan 0.000 0.443 101 S N 2.826 118.571 115.700 0.076 0.000 2.707 101 S HA 0.852 5.322 4.470 -0.000 0.000 0.276 101 S C -0.781 173.878 174.600 0.098 0.000 1.179 101 S CA -0.624 57.584 58.200 0.013 0.000 0.992 101 S CB 1.914 65.136 63.200 0.037 0.000 1.030 101 S HN 1.125 nan 8.310 nan 0.000 0.554 102 I N -0.138 120.495 120.570 0.106 0.000 2.775 102 I HA 0.332 4.502 4.170 -0.000 0.000 0.295 102 I C -1.803 174.396 176.117 0.138 0.000 1.287 102 I CA -0.501 60.894 61.300 0.160 0.000 1.029 102 I CB 2.076 40.202 38.000 0.210 0.000 1.282 102 I HN 0.767 nan 8.210 nan 0.000 0.426 103 Q N 6.396 126.252 119.800 0.093 0.000 2.401 103 Q HA 0.469 4.809 4.340 -0.000 0.000 0.260 103 Q C -1.331 174.689 176.000 0.034 0.000 1.034 103 Q CA -0.666 55.160 55.803 0.038 0.000 0.737 103 Q CB 2.470 31.209 28.738 0.001 0.000 1.227 103 Q HN 0.433 nan 8.270 nan 0.000 0.488 104 V N 2.603 122.555 119.914 0.062 0.000 2.617 104 V HA 0.583 4.703 4.120 -0.000 0.000 0.298 104 V C 0.001 176.068 176.094 -0.046 0.000 1.048 104 V CA -0.626 61.689 62.300 0.026 0.000 0.964 104 V CB 1.614 33.518 31.823 0.135 0.000 1.004 104 V HN 0.677 nan 8.190 nan 0.000 0.466 105 R N 2.819 123.244 120.500 -0.124 0.000 2.658 105 R HA 0.250 4.590 4.340 -0.000 0.000 0.287 105 R C -1.244 174.915 176.300 -0.235 0.000 1.209 105 R CA -0.504 55.512 56.100 -0.140 0.000 1.046 105 R CB 1.269 31.504 30.300 -0.108 0.000 1.247 105 R HN 0.837 nan 8.270 nan 0.000 0.405 106 Q N 3.093 122.764 119.800 -0.215 0.000 2.307 106 Q HA 0.138 4.478 4.340 -0.000 0.000 0.261 106 Q C 0.269 176.166 176.000 -0.172 0.000 1.051 106 Q CA -0.195 55.446 55.803 -0.269 0.000 0.911 106 Q CB 1.861 30.531 28.738 -0.113 0.000 1.227 106 Q HN 0.386 nan 8.270 nan 0.000 0.418 107 V N 2.983 122.765 119.914 -0.221 0.000 2.999 107 V HA -0.045 4.074 4.120 -0.000 0.000 0.307 107 V C 0.280 176.386 176.094 0.021 0.000 1.084 107 V CA 0.213 62.461 62.300 -0.088 0.000 1.155 107 V CB 1.339 33.120 31.823 -0.071 0.000 0.975 107 V HN 0.811 nan 8.190 nan 0.000 0.490 108 E N 3.066 123.296 120.200 0.050 0.000 2.373 108 E HA 0.145 4.495 4.350 -0.000 0.000 0.263 108 E C 0.350 177.033 176.600 0.138 0.000 1.073 108 E CA 0.240 56.692 56.400 0.086 0.000 0.894 108 E CB 0.554 30.288 29.700 0.056 0.000 1.008 108 E HN 0.889 nan 8.360 nan 0.000 0.420 109 D N 1.179 121.673 120.400 0.156 0.000 2.751 109 D HA -0.273 4.367 4.640 -0.000 0.000 0.233 109 D C -1.364 175.052 176.300 0.193 0.000 1.149 109 D CA 0.601 54.691 54.000 0.149 0.000 0.682 109 D CB -1.201 39.655 40.800 0.094 0.000 1.068 109 D HN 0.337 nan 8.370 nan 0.000 0.429 110 Y N -0.274 120.095 120.300 0.114 0.000 2.411 110 Y HA 0.381 4.931 4.550 0.000 0.000 0.333 110 Y C -1.942 174.025 175.900 0.112 0.000 1.186 110 Y CA -2.072 56.101 58.100 0.121 0.000 1.381 110 Y CB 0.587 39.152 38.460 0.175 0.000 1.273 110 Y HN -0.025 nan 8.280 nan 0.000 0.546 111 P HA 0.119 nan 4.420 nan 0.000 0.269 111 P C -1.282 175.924 177.300 -0.157 0.000 1.209 111 P CA 0.109 63.063 63.100 -0.244 0.000 0.776 111 P CB 0.728 32.242 31.700 -0.310 0.000 0.876 112 V N 2.317 122.184 119.914 -0.077 0.000 2.823 112 V HA 0.455 4.575 4.120 -0.000 0.000 0.312 112 V C -0.481 175.625 176.094 0.020 0.000 1.072 112 V CA -0.492 61.782 62.300 -0.043 0.000 0.937 112 V CB 2.364 34.079 31.823 -0.180 0.000 1.013 112 V HN 0.408 nan 8.190 nan 0.000 0.430 113 D N 2.410 122.888 120.400 0.130 0.000 2.481 113 D HA 0.703 5.343 4.640 -0.000 0.000 0.244 113 D C -0.831 175.636 176.300 0.278 0.000 1.057 113 D CA -0.092 54.053 54.000 0.242 0.000 0.848 113 D CB 2.364 43.467 40.800 0.505 0.000 1.388 113 D HN 0.384 nan 8.370 nan 0.000 0.475 114 I N 2.302 123.002 120.570 0.216 0.000 2.540 114 I HA 0.165 4.335 4.170 -0.000 0.000 0.280 114 I C -1.345 174.937 176.117 0.276 0.000 1.083 114 I CA -0.912 60.526 61.300 0.230 0.000 1.080 114 I CB 1.244 39.301 38.000 0.096 0.000 1.205 114 I HN 0.214 nan 8.210 nan 0.000 0.459 115 Y N 6.153 126.583 120.300 0.216 0.000 2.320 115 Y HA 0.343 4.892 4.550 -0.000 0.000 0.334 115 Y C -1.060 175.020 175.900 0.300 0.000 1.055 115 Y CA -0.647 57.564 58.100 0.185 0.000 1.143 115 Y CB 1.100 39.593 38.460 0.056 0.000 1.193 115 Y HN 0.446 nan 8.280 nan 0.000 0.477 116 Y N 7.398 127.576 120.300 -0.203 0.000 2.717 116 Y HA 0.398 4.948 4.550 0.000 0.000 0.329 116 Y C -1.137 174.640 175.900 -0.206 0.000 1.017 116 Y CA -0.614 57.490 58.100 0.007 0.000 1.275 116 Y CB 0.212 38.882 38.460 0.350 0.000 1.109 116 Y HN 0.570 nan 8.280 nan 0.000 0.511 117 L N 6.903 128.035 121.223 -0.152 0.000 2.313 117 L HA 0.365 4.705 4.340 -0.000 0.000 0.282 117 L C -0.317 176.551 176.870 -0.003 0.000 1.092 117 L CA 0.011 54.861 54.840 0.016 0.000 0.831 117 L CB 0.871 43.111 42.059 0.301 0.000 1.159 117 L HN 0.655 nan 8.230 nan 0.000 0.442 118 M N 3.816 123.427 119.600 0.019 0.000 2.326 118 M HA 0.254 4.734 4.480 -0.000 0.000 0.306 118 M C -0.904 175.099 176.300 -0.495 0.000 1.054 118 M CA -0.762 54.490 55.300 -0.079 0.000 0.922 118 M CB 2.049 34.777 32.600 0.214 0.000 1.632 118 M HN 0.411 nan 8.290 nan 0.000 0.436 119 D N 4.321 124.262 120.400 -0.765 0.000 2.417 119 D HA 0.143 4.783 4.640 -0.000 0.000 0.250 119 D C -0.671 175.387 176.300 -0.403 0.000 1.166 119 D CA 0.411 53.813 54.000 -0.997 0.000 0.881 119 D CB 0.654 41.124 40.800 -0.551 0.000 1.164 119 D HN 0.651 nan 8.370 nan 0.000 0.467 120 L N 3.519 124.550 121.223 -0.320 0.000 3.083 120 L HA 0.109 4.449 4.340 -0.000 0.000 0.286 120 L C 0.591 177.418 176.870 -0.072 0.000 1.307 120 L CA -0.428 54.372 54.840 -0.066 0.000 0.897 120 L CB 0.299 42.450 42.059 0.154 0.000 1.306 120 L HN 0.283 nan 8.230 nan 0.000 0.569 121 S N -2.115 113.531 115.700 -0.090 0.000 2.681 121 S HA 0.118 4.588 4.470 -0.000 0.000 0.270 121 S C 1.029 175.675 174.600 0.077 0.000 1.209 121 S CA -0.399 57.803 58.200 0.002 0.000 0.988 121 S CB 0.914 64.123 63.200 0.014 0.000 1.006 121 S HN 0.286 nan 8.310 nan 0.000 0.558 122 Y N 1.930 122.240 120.300 0.016 0.000 2.193 122 Y HA -0.178 4.372 4.550 -0.000 0.000 0.285 122 Y C 2.611 178.524 175.900 0.023 0.000 1.166 122 Y CA 2.147 60.263 58.100 0.027 0.000 1.181 122 Y CB -0.774 37.708 38.460 0.036 0.000 0.976 122 Y HN 0.818 nan 8.280 nan 0.000 0.520 123 S N -1.211 114.503 115.700 0.023 0.000 2.603 123 S HA -0.026 4.444 4.470 -0.000 0.000 0.229 123 S C 1.139 175.697 174.600 -0.070 0.000 0.972 123 S CA 0.527 58.701 58.200 -0.043 0.000 0.935 123 S CB -0.356 62.865 63.200 0.035 0.000 0.769 123 S HN 0.356 nan 8.310 nan 0.000 0.536 124 M N 0.634 120.190 119.600 -0.074 0.000 2.576 124 M HA 0.356 4.836 4.480 -0.000 0.000 0.322 124 M C 1.410 177.684 176.300 -0.044 0.000 1.184 124 M CA 0.000 55.274 55.300 -0.043 0.000 0.967 124 M CB -0.084 32.495 32.600 -0.034 0.000 1.372 124 M HN 0.385 nan 8.290 nan 0.000 0.509 125 K N 1.786 122.112 120.400 -0.122 0.000 2.025 125 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 125 K C 1.449 178.032 176.600 -0.028 0.000 1.049 125 K CA 2.020 58.243 56.287 -0.107 0.000 0.933 125 K CB 0.169 32.513 32.500 -0.259 0.000 0.714 125 K HN 0.341 nan 8.250 nan 0.000 0.438 126 D N 0.302 120.674 120.400 -0.047 0.000 2.264 126 D HA -0.176 4.464 4.640 -0.000 0.000 0.208 126 D C 0.884 177.239 176.300 0.092 0.000 0.966 126 D CA 1.071 55.081 54.000 0.017 0.000 0.864 126 D CB -0.359 40.425 40.800 -0.026 0.000 0.933 126 D HN 0.222 nan 8.370 nan 0.000 0.499 127 D N 0.585 121.021 120.400 0.061 0.000 2.178 127 D HA -0.033 4.607 4.640 -0.000 0.000 0.202 127 D C 2.239 178.597 176.300 0.096 0.000 0.974 127 D CA 0.382 54.432 54.000 0.083 0.000 0.841 127 D CB -0.227 40.616 40.800 0.070 0.000 0.953 127 D HN 0.257 nan 8.370 nan 0.000 0.478 128 L N -0.242 121.035 121.223 0.091 0.000 2.093 128 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 128 L C 2.351 179.263 176.870 0.070 0.000 1.085 128 L CA 0.795 55.671 54.840 0.060 0.000 0.755 128 L CB -0.222 41.871 42.059 0.057 0.000 0.904 128 L HN 0.305 nan 8.230 nan 0.000 0.435 129 W N 1.110 122.384 121.300 -0.043 0.000 2.358 129 W HA -0.213 4.447 4.660 -0.000 0.000 0.303 129 W C 2.471 178.968 176.519 -0.036 0.000 1.208 129 W CA 1.931 59.250 57.345 -0.042 0.000 1.274 129 W CB -0.094 29.344 29.460 -0.037 0.000 1.138 129 W HN 0.292 nan 8.180 nan 0.000 0.515 130 S N -0.374 115.406 115.700 0.134 0.000 2.561 130 S HA -0.048 4.422 4.470 -0.000 0.000 0.225 130 S C 1.577 176.154 174.600 -0.038 0.000 0.977 130 S CA 0.555 58.782 58.200 0.044 0.000 0.926 130 S CB -0.322 62.943 63.200 0.110 0.000 0.769 130 S HN 0.364 nan 8.310 nan 0.000 0.533 131 I N 1.877 122.411 120.570 -0.060 0.000 3.956 131 I HA 0.005 4.175 4.170 -0.000 0.000 0.333 131 I C 2.363 178.390 176.117 -0.149 0.000 1.302 131 I CA 0.019 61.267 61.300 -0.087 0.000 1.122 131 I CB -0.038 37.920 38.000 -0.070 0.000 1.013 131 I HN 0.424 nan 8.210 nan 0.000 0.405 132 Q N 0.217 119.883 119.800 -0.223 0.000 2.152 132 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 132 Q C 0.661 176.540 176.000 -0.201 0.000 0.985 132 Q CA 1.741 57.379 55.803 -0.275 0.000 0.863 132 Q CB -0.308 28.167 28.738 -0.438 0.000 0.904 132 Q HN 0.356 nan 8.270 nan 0.000 0.422 133 N N -0.127 118.474 118.700 -0.166 0.000 2.184 133 N HA 0.174 4.914 4.740 -0.000 0.000 0.206 133 N C -0.359 175.097 175.510 -0.091 0.000 1.151 133 N CA -0.286 52.692 53.050 -0.119 0.000 0.878 133 N CB 0.442 38.853 38.487 -0.128 0.000 1.014 133 N HN 0.148 nan 8.380 nan 0.000 0.512 134 L N 0.151 121.321 121.223 -0.088 0.000 2.506 134 L HA 0.286 4.626 4.340 -0.000 0.000 0.281 134 L C 1.423 178.173 176.870 -0.200 0.000 1.228 134 L CA 1.469 56.225 54.840 -0.141 0.000 0.850 134 L CB 0.120 42.081 42.059 -0.163 0.000 1.110 134 L HN 0.430 nan 8.230 nan 0.000 0.496 135 G N 1.289 109.858 108.800 -0.385 0.000 3.102 135 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.200 135 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.200 135 G C 0.836 175.599 174.900 -0.230 0.000 1.685 135 G CA 0.774 45.592 45.100 -0.470 0.000 1.299 135 G HN 0.998 nan 8.290 nan 0.000 0.576 136 T N -0.298 114.176 114.554 -0.132 0.000 2.896 136 T HA 0.178 4.528 4.350 -0.000 0.000 0.263 136 T C 2.031 176.675 174.700 -0.092 0.000 1.050 136 T CA 1.800 63.844 62.100 -0.094 0.000 1.140 136 T CB -0.173 68.655 68.868 -0.066 0.000 0.877 136 T HN 0.502 nan 8.240 nan 0.000 0.457 137 K N 0.361 120.702 120.400 -0.099 0.000 2.211 137 K HA 0.136 4.455 4.320 -0.000 0.000 0.203 137 K C 2.086 178.631 176.600 -0.090 0.000 1.050 137 K CA 0.730 56.967 56.287 -0.083 0.000 0.945 137 K CB -0.271 32.182 32.500 -0.078 0.000 0.732 137 K HN 0.193 nan 8.250 nan 0.000 0.451 138 L N 1.092 122.236 121.223 -0.133 0.000 2.044 138 L HA -0.034 4.306 4.340 -0.000 0.000 0.205 138 L C 2.230 179.032 176.870 -0.113 0.000 1.075 138 L CA 1.592 56.352 54.840 -0.135 0.000 0.747 138 L CB -0.742 41.188 42.059 -0.215 0.000 0.903 138 L HN 0.093 nan 8.230 nan 0.000 0.435 139 A N -1.242 121.505 122.820 -0.122 0.000 1.884 139 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 139 A C 2.274 179.819 177.584 -0.066 0.000 1.197 139 A CA 2.730 54.711 52.037 -0.093 0.000 0.637 139 A CB -1.409 17.540 19.000 -0.085 0.000 0.827 139 A HN 0.522 nan 8.150 nan 0.000 0.450 140 T N -0.043 114.477 114.554 -0.058 0.000 2.720 140 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 140 T C 1.985 176.666 174.700 -0.031 0.000 1.037 140 T CA 1.651 63.727 62.100 -0.040 0.000 1.144 140 T CB -0.247 68.599 68.868 -0.036 0.000 0.864 140 T HN 0.512 nan 8.240 nan 0.000 0.444 141 Q N -0.207 119.573 119.800 -0.035 0.000 2.245 141 Q HA 0.202 4.542 4.340 -0.000 0.000 0.201 141 Q C 2.029 178.016 176.000 -0.021 0.000 0.955 141 Q CA 0.705 56.496 55.803 -0.020 0.000 0.870 141 Q CB -0.303 28.425 28.738 -0.017 0.000 0.945 141 Q HN 0.408 nan 8.270 nan 0.000 0.461 142 M N -0.093 119.480 119.600 -0.045 0.000 2.476 142 M HA 0.060 4.540 4.480 -0.000 0.000 0.262 142 M C 1.664 177.937 176.300 -0.046 0.000 1.111 142 M CA 0.946 56.209 55.300 -0.063 0.000 1.127 142 M CB 0.125 32.664 32.600 -0.102 0.000 1.376 142 M HN -0.058 nan 8.290 nan 0.000 0.465 143 R N -0.412 120.067 120.500 -0.035 0.000 2.152 143 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 143 R C 1.836 178.134 176.300 -0.004 0.000 1.117 143 R CA 1.279 57.366 56.100 -0.022 0.000 0.981 143 R CB -0.178 30.109 30.300 -0.022 0.000 0.870 143 R HN 0.355 nan 8.270 nan 0.000 0.451 144 K N 0.150 120.552 120.400 0.003 0.000 2.148 144 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 144 K C 1.810 178.433 176.600 0.038 0.000 1.050 144 K CA 1.008 57.306 56.287 0.019 0.000 0.942 144 K CB 0.076 32.589 32.500 0.021 0.000 0.724 144 K HN 0.165 nan 8.250 nan 0.000 0.446 145 L N -0.403 120.847 121.223 0.044 0.000 2.249 145 L HA 0.046 4.386 4.340 -0.000 0.000 0.207 145 L C 1.044 177.966 176.870 0.087 0.000 1.090 145 L CA 0.379 55.274 54.840 0.092 0.000 0.802 145 L CB 0.463 42.601 42.059 0.133 0.000 0.947 145 L HN 0.044 nan 8.230 nan 0.000 0.453 146 T N -2.170 112.402 114.554 0.030 0.000 2.993 146 T HA 0.225 4.575 4.350 -0.000 0.000 0.312 146 T C 0.745 175.443 174.700 -0.002 0.000 1.115 146 T CA -0.052 62.062 62.100 0.023 0.000 1.027 146 T CB 1.591 70.454 68.868 -0.008 0.000 1.116 146 T HN 0.131 nan 8.240 nan 0.000 0.464 147 S N 4.030 119.733 115.700 0.005 0.000 2.357 147 S HA 0.056 4.526 4.470 -0.000 0.000 0.221 147 S C 0.857 175.446 174.600 -0.018 0.000 1.031 147 S CA 0.401 58.599 58.200 -0.004 0.000 0.982 147 S CB -0.454 62.748 63.200 0.003 0.000 0.853 147 S HN 0.679 nan 8.310 nan 0.000 0.458 148 N N 1.034 119.718 118.700 -0.027 0.000 2.426 148 N HA 0.591 5.331 4.740 -0.000 0.000 0.275 148 N C -1.304 174.178 175.510 -0.046 0.000 1.019 148 N CA -0.644 52.384 53.050 -0.037 0.000 0.941 148 N CB 1.176 39.634 38.487 -0.047 0.000 1.123 148 N HN 0.382 nan 8.380 nan 0.000 0.486 149 L N 2.732 123.932 121.223 -0.039 0.000 2.472 149 L HA 0.606 4.945 4.340 -0.000 0.000 0.260 149 L C -1.328 175.528 176.870 -0.024 0.000 0.963 149 L CA -0.436 54.379 54.840 -0.042 0.000 0.829 149 L CB 1.778 43.801 42.059 -0.061 0.000 1.348 149 L HN 0.553 nan 8.230 nan 0.000 0.408 150 R N 4.987 125.482 120.500 -0.008 0.000 2.604 150 R HA 0.746 5.086 4.340 -0.000 0.000 0.281 150 R C -1.526 174.787 176.300 0.022 0.000 1.020 150 R CA -0.711 55.394 56.100 0.007 0.000 0.899 150 R CB 2.196 32.506 30.300 0.017 0.000 1.205 150 R HN 0.638 nan 8.270 nan 0.000 0.450 151 I N 0.665 121.251 120.570 0.026 0.000 2.689 151 I HA 0.658 4.828 4.170 -0.000 0.000 0.299 151 I C 0.412 176.621 176.117 0.153 0.000 1.059 151 I CA -0.956 60.373 61.300 0.047 0.000 1.055 151 I CB 2.387 40.336 38.000 -0.085 0.000 1.243 151 I HN 0.682 nan 8.210 nan 0.000 0.425 152 G N 3.004 111.952 108.800 0.247 0.000 2.949 152 G HA2 0.779 4.739 3.960 -0.000 0.000 0.285 152 G HA3 0.779 4.739 3.960 -0.000 0.000 0.285 152 G C -2.131 172.933 174.900 0.274 0.000 1.395 152 G CA -0.473 44.824 45.100 0.328 0.000 0.901 152 G HN 0.433 nan 8.290 nan 0.000 0.519 153 F N -0.575 119.253 119.950 -0.203 0.000 2.628 153 F HA 0.706 5.233 4.527 0.000 0.000 0.309 153 F C -0.101 175.394 175.800 -0.508 0.000 1.108 153 F CA -0.251 57.526 58.000 -0.372 0.000 0.971 153 F CB 2.047 40.858 39.000 -0.315 0.000 1.279 153 F HN 0.909 nan 8.300 nan 0.000 0.441 154 G N 2.116 110.151 108.800 -1.275 0.000 2.672 154 G HA2 0.855 4.815 3.960 -0.000 0.000 0.292 154 G HA3 0.855 4.815 3.960 -0.000 0.000 0.292 154 G C -2.256 172.214 174.900 -0.716 0.000 1.375 154 G CA -0.487 44.240 45.100 -0.621 0.000 0.890 154 G HN 1.129 nan 8.290 nan 0.000 0.476 155 A N -0.383 122.335 122.820 -0.169 0.000 2.539 155 A HA 0.968 5.288 4.320 -0.000 0.000 0.296 155 A C -1.200 176.738 177.584 0.590 0.000 1.073 155 A CA -0.749 51.338 52.037 0.083 0.000 0.700 155 A CB 1.444 20.481 19.000 0.061 0.000 1.296 155 A HN 1.993 nan 8.150 nan 0.000 0.405 156 F N -0.611 119.605 119.950 0.444 0.000 2.668 156 F HA 0.770 5.297 4.527 0.000 0.000 0.309 156 F C -0.677 175.199 175.800 0.127 0.000 1.117 156 F CA -0.759 57.493 58.000 0.420 0.000 0.951 156 F CB 0.801 40.034 39.000 0.388 0.000 1.323 156 F HN 0.382 nan 8.300 nan 0.000 0.451 157 V N -0.596 119.369 119.914 0.084 0.000 4.491 157 V HA 0.439 4.559 4.120 -0.000 0.000 0.164 157 V C -0.933 175.275 176.094 0.190 0.000 1.146 157 V CA 0.604 62.859 62.300 -0.074 0.000 1.322 157 V CB 0.771 32.363 31.823 -0.384 0.000 1.741 157 V HN 0.905 nan 8.190 nan 0.000 0.542 158 D N -1.205 119.276 120.400 0.135 0.000 2.738 158 D HA 0.256 4.896 4.640 -0.000 0.000 0.308 158 D C -1.461 174.916 176.300 0.129 0.000 1.311 158 D CA -0.597 53.497 54.000 0.157 0.000 0.799 158 D CB 1.555 42.397 40.800 0.071 0.000 1.332 158 D HN 0.060 nan 8.370 nan 0.000 0.441 159 K N 1.440 121.874 120.400 0.057 0.000 2.419 159 K HA 0.228 4.548 4.320 -0.000 0.000 0.282 159 K C -2.125 174.568 176.600 0.156 0.000 1.056 159 K CA -1.025 55.313 56.287 0.085 0.000 1.035 159 K CB 0.321 32.815 32.500 -0.010 0.000 0.921 159 K HN 0.014 nan 8.250 nan 0.000 0.472 160 P HA 0.001 nan 4.420 nan 0.000 0.252 160 P C -0.981 176.380 177.300 0.102 0.000 1.694 160 P CA 0.096 63.267 63.100 0.119 0.000 1.163 160 P CB 0.292 32.054 31.700 0.104 0.000 1.934 161 V N 1.543 121.537 119.914 0.133 0.000 2.966 161 V HA 0.302 4.422 4.120 -0.000 0.000 0.288 161 V C -0.386 175.715 176.094 0.011 0.000 1.380 161 V CA -0.729 61.612 62.300 0.068 0.000 0.966 161 V CB 2.254 34.113 31.823 0.059 0.000 1.115 161 V HN 0.215 nan 8.190 nan 0.000 0.436 162 S N 6.754 122.423 115.700 -0.052 0.000 2.558 162 S HA 0.266 4.736 4.470 -0.000 0.000 0.291 162 S C -1.409 173.032 174.600 -0.265 0.000 1.306 162 S CA 0.309 58.434 58.200 -0.125 0.000 1.056 162 S CB 1.050 64.198 63.200 -0.088 0.000 0.836 162 S HN 0.823 nan 8.310 nan 0.000 0.504 163 P HA 0.131 nan 4.420 nan 0.000 0.262 163 P C 0.258 177.419 177.300 -0.232 0.000 1.304 163 P CA 0.113 63.050 63.100 -0.271 0.000 0.859 163 P CB -0.056 31.500 31.700 -0.239 0.000 1.310 164 Y N 1.183 121.444 120.300 -0.064 0.000 2.163 164 Y HA -0.014 4.536 4.550 -0.000 0.000 0.288 164 Y C 1.883 177.707 175.900 -0.126 0.000 1.136 164 Y CA 0.586 58.654 58.100 -0.053 0.000 1.147 164 Y CB -1.084 37.381 38.460 0.008 0.000 0.987 164 Y HN 0.035 nan 8.280 nan 0.000 0.509 165 M N -1.029 118.599 119.600 0.047 0.000 2.409 165 M HA 0.404 4.884 4.480 -0.000 0.000 0.329 165 M C -1.479 174.760 176.300 -0.102 0.000 1.180 165 M CA -0.896 54.400 55.300 -0.007 0.000 1.053 165 M CB 0.899 33.548 32.600 0.082 0.000 1.586 165 M HN -0.035 nan 8.290 nan 0.000 0.461 166 Y N 2.809 123.135 120.300 0.044 0.000 2.465 166 Y HA 0.248 4.798 4.550 0.000 0.000 0.331 166 Y C 0.969 176.874 175.900 0.008 0.000 1.102 166 Y CA -0.266 57.847 58.100 0.022 0.000 1.358 166 Y CB 0.317 38.788 38.460 0.019 0.000 1.213 166 Y HN 0.683 nan 8.280 nan 0.000 0.525 167 I N -0.570 120.073 120.570 0.123 0.000 4.009 167 I HA 0.399 4.569 4.170 -0.000 0.000 0.331 167 I C -0.190 175.950 176.117 0.038 0.000 1.462 167 I CA -0.179 61.157 61.300 0.059 0.000 1.117 167 I CB 0.224 38.237 38.000 0.021 0.000 1.091 167 I HN 0.378 nan 8.210 nan 0.000 0.410 168 S N 0.198 115.931 115.700 0.056 0.000 2.533 168 S HA 0.734 5.203 4.470 -0.000 0.000 0.271 168 S C -2.959 171.637 174.600 -0.007 0.000 1.143 168 S CA -0.863 57.343 58.200 0.009 0.000 0.891 168 S CB 1.612 64.822 63.200 0.017 0.000 1.105 168 S HN -0.025 nan 8.310 nan 0.000 0.468 169 P HA 0.436 nan 4.420 nan 0.000 0.277 169 P C -2.067 175.141 177.300 -0.154 0.000 1.276 169 P CA -1.529 61.498 63.100 -0.122 0.000 0.788 169 P CB -0.389 31.202 31.700 -0.182 0.000 1.114 170 P HA -0.185 nan 4.420 nan 0.000 0.217 170 P C 0.951 178.151 177.300 -0.166 0.000 1.148 170 P CA 1.507 64.538 63.100 -0.116 0.000 0.828 170 P CB -0.005 31.641 31.700 -0.089 0.000 0.783 171 E N -0.889 119.121 120.200 -0.316 0.000 2.274 171 E HA -0.032 4.318 4.350 -0.000 0.000 0.194 171 E C 2.053 178.453 176.600 -0.334 0.000 0.996 171 E CA 0.969 57.128 56.400 -0.402 0.000 0.840 171 E CB -0.870 28.335 29.700 -0.824 0.000 0.772 171 E HN 0.161 nan 8.360 nan 0.000 0.491 172 A N 0.421 123.056 122.820 -0.309 0.000 1.969 172 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 172 A C 2.050 179.624 177.584 -0.017 0.000 1.169 172 A CA 0.892 52.858 52.037 -0.119 0.000 0.635 172 A CB -0.499 18.459 19.000 -0.071 0.000 0.810 172 A HN 0.208 nan 8.150 nan 0.000 0.445 173 L N -0.522 120.687 121.223 -0.024 0.000 2.046 173 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 173 L C 2.575 179.460 176.870 0.026 0.000 1.077 173 L CA 1.219 56.068 54.840 0.016 0.000 0.747 173 L CB -0.480 41.580 42.059 0.002 0.000 0.896 173 L HN 0.320 nan 8.230 nan 0.000 0.432 174 E N -0.269 119.933 120.200 0.004 0.000 2.072 174 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 174 E C 0.486 177.119 176.600 0.056 0.000 0.982 174 E CA 0.759 57.175 56.400 0.026 0.000 0.803 174 E CB -0.273 29.434 29.700 0.012 0.000 0.755 174 E HN 0.262 nan 8.360 nan 0.000 0.453 175 N N -0.116 118.620 118.700 0.059 0.000 2.609 175 N HA 0.158 4.898 4.740 -0.000 0.000 0.268 175 N C -2.459 173.105 175.510 0.090 0.000 1.106 175 N CA -1.879 51.229 53.050 0.095 0.000 0.823 175 N CB 1.554 40.123 38.487 0.137 0.000 1.263 175 N HN -0.322 nan 8.380 nan 0.000 0.533 176 P HA -0.037 nan 4.420 nan 0.000 0.220 176 P C -0.010 177.270 177.300 -0.034 0.000 1.144 176 P CA 0.982 64.111 63.100 0.048 0.000 0.800 176 P CB 0.151 31.910 31.700 0.099 0.000 0.772 177 c N -1.672 116.927 118.600 -0.001 0.000 2.365 177 c HA 0.236 4.806 4.570 -0.000 0.000 0.386 177 c C 1.787 175.869 174.090 -0.012 0.000 1.357 177 c CA -0.575 55.714 56.329 -0.068 0.000 1.747 177 c CB -2.743 39.741 42.510 -0.043 0.000 2.487 177 c HN 0.234 nan 8.230 nan 0.000 0.585 178 Y N 3.260 123.491 120.300 -0.115 0.000 2.153 178 Y HA -0.131 4.419 4.550 -0.000 0.000 0.289 178 Y C 2.108 177.955 175.900 -0.087 0.000 1.127 178 Y CA 2.489 60.541 58.100 -0.081 0.000 1.131 178 Y CB -0.039 38.378 38.460 -0.071 0.000 0.995 178 Y HN 0.518 nan 8.280 nan 0.000 0.505 179 D N -0.207 120.143 120.400 -0.083 0.000 2.264 179 D HA -0.134 4.506 4.640 -0.000 0.000 0.208 179 D C 0.580 176.778 176.300 -0.170 0.000 0.966 179 D CA 1.004 54.914 54.000 -0.151 0.000 0.864 179 D CB -0.589 40.157 40.800 -0.090 0.000 0.933 179 D HN 0.300 nan 8.370 nan 0.000 0.499 180 M N -0.128 119.374 119.600 -0.164 0.000 2.368 180 M HA 0.258 4.738 4.480 -0.000 0.000 0.311 180 M C 1.299 177.527 176.300 -0.119 0.000 1.168 180 M CA -0.612 54.606 55.300 -0.135 0.000 1.044 180 M CB 1.465 33.973 32.600 -0.154 0.000 1.506 180 M HN -0.305 nan 8.290 nan 0.000 0.475 181 K N 0.215 120.569 120.400 -0.078 0.000 2.025 181 K HA -0.003 4.317 4.320 -0.000 0.000 0.207 181 K C 0.445 177.023 176.600 -0.037 0.000 1.049 181 K CA 1.045 57.294 56.287 -0.064 0.000 0.933 181 K CB -0.226 32.250 32.500 -0.041 0.000 0.714 181 K HN 0.676 nan 8.250 nan 0.000 0.438 182 T N 1.753 116.308 114.554 0.001 0.000 2.898 182 T HA 0.080 4.430 4.350 -0.000 0.000 0.301 182 T C 0.294 175.019 174.700 0.040 0.000 1.049 182 T CA -0.292 61.830 62.100 0.037 0.000 1.095 182 T CB 1.218 70.140 68.868 0.090 0.000 0.976 182 T HN 0.292 nan 8.240 nan 0.000 0.539 183 T N -0.886 113.702 114.554 0.055 0.000 2.859 183 T HA 0.636 4.986 4.350 -0.000 0.000 0.281 183 T C 0.164 174.923 174.700 0.098 0.000 1.005 183 T CA -1.070 61.071 62.100 0.069 0.000 1.025 183 T CB 0.215 69.122 68.868 0.064 0.000 0.977 183 T HN 0.940 nan 8.240 nan 0.000 0.458 184 c N 2.495 121.162 118.600 0.112 0.000 2.913 184 c HA 0.801 5.371 4.570 -0.000 0.000 0.322 184 c C 0.336 174.510 174.090 0.140 0.000 1.292 184 c CA -1.447 54.967 56.329 0.141 0.000 1.649 184 c CB -0.092 42.525 42.510 0.179 0.000 2.139 184 c HN 1.039 nan 8.230 nan 0.000 0.475 185 L N 2.192 123.518 121.223 0.172 0.000 2.483 185 L HA 0.300 4.640 4.340 -0.000 0.000 0.275 185 L C -1.841 175.147 176.870 0.197 0.000 1.220 185 L CA -0.875 54.084 54.840 0.199 0.000 0.833 185 L CB 0.565 42.799 42.059 0.290 0.000 1.102 185 L HN 0.526 nan 8.230 nan 0.000 0.490 186 P HA 0.013 nan 4.420 nan 0.000 0.269 186 P C -0.432 177.006 177.300 0.230 0.000 1.215 186 P CA -0.247 62.956 63.100 0.171 0.000 0.780 186 P CB 0.485 32.267 31.700 0.136 0.000 0.898 187 M N 3.200 122.891 119.600 0.152 0.000 2.252 187 M HA 0.305 4.785 4.480 -0.000 0.000 0.333 187 M C -0.760 175.654 176.300 0.190 0.000 1.111 187 M CA 0.621 55.965 55.300 0.074 0.000 1.140 187 M CB -0.291 32.348 32.600 0.064 0.000 1.538 187 M HN 0.279 nan 8.290 nan 0.000 0.448 188 F N 1.908 121.966 119.950 0.179 0.000 2.591 188 F HA 0.707 5.234 4.527 -0.000 0.000 0.309 188 F C 0.373 176.339 175.800 0.277 0.000 1.098 188 F CA -0.822 57.317 58.000 0.232 0.000 0.937 188 F CB 0.559 39.751 39.000 0.320 0.000 1.250 188 F HN 0.578 nan 8.300 nan 0.000 0.447 189 G N 1.204 110.292 108.800 0.479 0.000 2.505 189 G HA2 0.026 3.986 3.960 -0.000 0.000 0.214 189 G HA3 0.026 3.986 3.960 -0.000 0.000 0.214 189 G C -1.024 174.265 174.900 0.649 0.000 1.237 189 G CA 1.329 46.709 45.100 0.468 0.000 0.802 189 G HN 0.806 nan 8.290 nan 0.000 0.549 190 Y N 0.665 121.299 120.300 0.556 0.000 2.479 190 Y HA 0.548 5.098 4.550 0.000 0.000 0.338 190 Y C -1.212 174.892 175.900 0.339 0.000 1.055 190 Y CA -1.700 56.690 58.100 0.482 0.000 1.023 190 Y CB 1.439 40.091 38.460 0.321 0.000 1.287 190 Y HN 0.312 nan 8.280 nan 0.000 0.447 191 K N 3.981 124.016 120.400 -0.608 0.000 2.471 191 K HA 0.387 4.707 4.320 -0.000 0.000 0.252 191 K C -1.694 174.347 176.600 -0.931 0.000 0.938 191 K CA -0.942 54.800 56.287 -0.909 0.000 0.796 191 K CB 1.900 33.821 32.500 -0.966 0.000 1.161 191 K HN 0.836 nan 8.250 nan 0.000 0.425 192 H N 1.818 120.408 119.070 -0.801 0.000 2.707 192 H HA 0.191 4.747 4.556 -0.000 0.000 0.359 192 H C -0.041 175.171 175.328 -0.194 0.000 1.113 192 H CA 0.298 56.174 56.048 -0.287 0.000 1.422 192 H CB 1.102 30.814 29.762 -0.083 0.000 1.443 192 H HN 0.478 nan 8.280 nan 0.000 0.591 193 V N 3.339 122.880 119.914 -0.622 0.000 3.161 193 V HA 0.139 4.259 4.120 -0.000 0.000 0.221 193 V C -0.581 175.324 176.094 -0.314 0.000 1.296 193 V CA -0.010 62.096 62.300 -0.323 0.000 1.306 193 V CB 0.287 32.073 31.823 -0.062 0.000 1.171 193 V HN 0.530 nan 8.190 nan 0.000 0.513 194 L N 1.218 122.222 121.223 -0.366 0.000 2.372 194 L HA 0.628 4.968 4.340 -0.000 0.000 0.273 194 L C -0.072 176.835 176.870 0.062 0.000 0.989 194 L CA 0.127 54.910 54.840 -0.095 0.000 0.841 194 L CB 1.275 43.338 42.059 0.006 0.000 1.225 194 L HN 0.155 nan 8.230 nan 0.000 0.414 195 T N 4.896 119.624 114.554 0.290 0.000 2.932 195 T HA 0.225 4.575 4.350 -0.000 0.000 0.312 195 T C 0.265 175.059 174.700 0.157 0.000 1.071 195 T CA -0.207 62.088 62.100 0.325 0.000 1.128 195 T CB 0.154 69.136 68.868 0.190 0.000 0.984 195 T HN 0.367 nan 8.240 nan 0.000 0.549 196 L N 4.427 125.696 121.223 0.078 0.000 2.745 196 L HA 0.134 4.474 4.340 -0.000 0.000 0.273 196 L C 1.307 178.198 176.870 0.035 0.000 1.156 196 L CA 0.687 55.549 54.840 0.037 0.000 0.982 196 L CB -1.140 40.877 42.059 -0.070 0.000 1.295 196 L HN 0.870 nan 8.230 nan 0.000 0.483 197 T N -2.024 112.561 114.554 0.052 0.000 2.930 197 T HA 0.499 4.849 4.350 -0.000 0.000 0.290 197 T C 0.616 175.330 174.700 0.023 0.000 1.052 197 T CA -0.278 61.843 62.100 0.035 0.000 1.017 197 T CB 1.686 70.577 68.868 0.039 0.000 1.137 197 T HN 0.515 nan 8.240 nan 0.000 0.511 198 D N -0.399 120.008 120.400 0.012 0.000 2.305 198 D HA -0.031 4.609 4.640 -0.000 0.000 0.206 198 D C 0.558 176.856 176.300 -0.002 0.000 0.974 198 D CA 0.423 54.423 54.000 0.001 0.000 0.871 198 D CB -0.227 40.571 40.800 -0.002 0.000 0.947 198 D HN 0.620 nan 8.370 nan 0.000 0.516 199 Q N 0.982 120.785 119.800 0.004 0.000 2.452 199 Q HA 0.177 4.517 4.340 -0.000 0.000 0.230 199 Q C 1.366 177.371 176.000 0.009 0.000 1.180 199 Q CA -0.324 55.479 55.803 0.001 0.000 0.914 199 Q CB 1.678 30.416 28.738 0.001 0.000 1.408 199 Q HN 0.287 nan 8.270 nan 0.000 0.520 200 V N -0.176 119.735 119.914 -0.006 0.000 2.594 200 V HA -0.253 3.867 4.120 -0.000 0.000 0.253 200 V C 2.045 178.151 176.094 0.020 0.000 1.069 200 V CA 2.108 64.402 62.300 -0.009 0.000 1.082 200 V CB -1.305 30.482 31.823 -0.060 0.000 0.680 200 V HN 0.792 nan 8.190 nan 0.000 0.469 201 T N -1.204 113.351 114.554 0.001 0.000 2.881 201 T HA -0.250 4.100 4.350 -0.000 0.000 0.270 201 T C 2.010 176.710 174.700 0.000 0.000 1.068 201 T CA 1.669 63.766 62.100 -0.005 0.000 1.131 201 T CB -0.634 68.221 68.868 -0.021 0.000 0.871 201 T HN 0.562 nan 8.240 nan 0.000 0.479 202 R N -0.543 119.963 120.500 0.010 0.000 2.148 202 R HA 0.063 4.402 4.340 -0.000 0.000 0.227 202 R C 2.074 178.363 176.300 -0.019 0.000 1.103 202 R CA 0.756 56.850 56.100 -0.010 0.000 0.983 202 R CB -0.436 29.863 30.300 -0.002 0.000 0.874 202 R HN 0.515 nan 8.270 nan 0.000 0.451 203 F N 1.802 121.680 119.950 -0.120 0.000 2.075 203 F HA -0.215 4.311 4.527 -0.000 0.000 0.297 203 F C 1.513 177.169 175.800 -0.240 0.000 1.113 203 F CA 2.002 59.896 58.000 -0.176 0.000 1.218 203 F CB -0.250 38.651 39.000 -0.165 0.000 0.984 203 F HN 0.074 nan 8.300 nan 0.000 0.472 204 N N 0.500 119.246 118.700 0.077 0.000 2.205 204 N HA -0.221 4.519 4.740 -0.000 0.000 0.186 204 N C 1.800 177.199 175.510 -0.186 0.000 1.015 204 N CA 1.534 54.547 53.050 -0.062 0.000 0.862 204 N CB -0.566 37.903 38.487 -0.031 0.000 0.986 204 N HN 0.538 nan 8.380 nan 0.000 0.429 205 E N 0.541 120.648 120.200 -0.156 0.000 2.072 205 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 205 E C 1.073 177.543 176.600 -0.217 0.000 0.985 205 E CA 0.855 57.162 56.400 -0.156 0.000 0.801 205 E CB 0.183 29.819 29.700 -0.106 0.000 0.750 205 E HN 0.286 nan 8.360 nan 0.000 0.452 206 E N 0.198 120.221 120.200 -0.295 0.000 2.158 206 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 206 E C 2.340 178.663 176.600 -0.461 0.000 0.982 206 E CA 1.119 57.319 56.400 -0.333 0.000 0.823 206 E CB -0.062 29.439 29.700 -0.332 0.000 0.766 206 E HN 0.367 nan 8.360 nan 0.000 0.468 207 V N -0.490 119.013 119.914 -0.686 0.000 2.515 207 V HA -0.156 3.964 4.120 -0.000 0.000 0.250 207 V C 1.885 177.745 176.094 -0.389 0.000 1.058 207 V CA 1.500 63.356 62.300 -0.741 0.000 1.064 207 V CB -0.539 30.757 31.823 -0.879 0.000 0.675 207 V HN 0.033 nan 8.190 nan 0.000 0.461 208 K N 0.416 120.637 120.400 -0.298 0.000 2.288 208 K HA 0.026 4.346 4.320 -0.000 0.000 0.201 208 K C 2.138 178.660 176.600 -0.129 0.000 1.048 208 K CA 1.057 57.230 56.287 -0.190 0.000 0.956 208 K CB -0.139 32.256 32.500 -0.174 0.000 0.746 208 K HN 0.518 nan 8.250 nan 0.000 0.461 209 K N 0.340 120.653 120.400 -0.144 0.000 2.243 209 K HA 0.009 4.329 4.320 -0.000 0.000 0.201 209 K C 0.691 177.251 176.600 -0.067 0.000 1.051 209 K CA 0.489 56.721 56.287 -0.093 0.000 0.970 209 K CB 0.247 32.688 32.500 -0.099 0.000 0.755 209 K HN 0.075 nan 8.250 nan 0.000 0.465 210 Q N 0.940 120.687 119.800 -0.089 0.000 2.382 210 Q HA 0.126 4.466 4.340 -0.000 0.000 0.229 210 Q C 0.257 176.271 176.000 0.024 0.000 1.006 210 Q CA 0.154 55.942 55.803 -0.026 0.000 0.916 210 Q CB 1.682 30.415 28.738 -0.008 0.000 1.235 210 Q HN 0.183 nan 8.270 nan 0.000 0.512 211 S N -1.515 114.236 115.700 0.085 0.000 2.705 211 S HA 0.713 5.183 4.470 -0.000 0.000 0.280 211 S C -0.213 174.495 174.600 0.180 0.000 1.174 211 S CA -0.603 57.665 58.200 0.113 0.000 0.823 211 S CB 0.674 63.940 63.200 0.109 0.000 1.162 211 S HN 0.462 nan 8.310 nan 0.000 0.487 212 V N -1.276 118.734 119.914 0.160 0.000 3.234 212 V HA 0.944 5.064 4.120 -0.000 0.000 0.317 212 V C 0.284 176.498 176.094 0.200 0.000 1.081 212 V CA -0.116 62.285 62.300 0.168 0.000 1.037 212 V CB 1.043 32.927 31.823 0.100 0.000 1.148 212 V HN 1.144 nan 8.190 nan 0.000 0.453 213 S N -0.186 115.599 115.700 0.143 0.000 2.998 213 S HA 0.756 5.226 4.470 -0.000 0.000 0.323 213 S C -0.731 173.952 174.600 0.137 0.000 1.141 213 S CA -0.948 57.326 58.200 0.123 0.000 0.873 213 S CB 1.784 64.995 63.200 0.018 0.000 1.315 213 S HN 1.144 nan 8.310 nan 0.000 0.637 214 R N 0.451 121.023 120.500 0.119 0.000 2.668 214 R HA 0.529 4.869 4.340 -0.000 0.000 0.272 214 R C -1.640 174.790 176.300 0.216 0.000 1.019 214 R CA -0.408 55.789 56.100 0.163 0.000 0.894 214 R CB 1.305 31.666 30.300 0.103 0.000 1.228 214 R HN 0.973 nan 8.270 nan 0.000 0.460 215 N N 0.323 119.168 118.700 0.242 0.000 2.853 215 N HA 0.288 5.028 4.740 -0.000 0.000 0.258 215 N C -0.223 175.357 175.510 0.118 0.000 1.444 215 N CA -1.052 52.102 53.050 0.174 0.000 0.837 215 N CB 1.834 40.383 38.487 0.103 0.000 1.489 215 N HN 0.504 nan 8.380 nan 0.000 0.529 216 R N -0.551 119.855 120.500 -0.158 0.000 2.057 216 R HA 0.002 4.342 4.340 -0.000 0.000 0.224 216 R C -0.461 175.854 176.300 0.024 0.000 1.136 216 R CA 1.220 57.203 56.100 -0.196 0.000 0.968 216 R CB -0.348 29.686 30.300 -0.444 0.000 0.863 216 R HN 0.840 nan 8.270 nan 0.000 0.433 217 D N -0.683 119.770 120.400 0.089 0.000 2.253 217 D HA 0.155 4.795 4.640 -0.000 0.000 0.249 217 D C 0.434 176.798 176.300 0.107 0.000 1.049 217 D CA 0.044 54.119 54.000 0.126 0.000 0.929 217 D CB 1.582 42.515 40.800 0.221 0.000 1.176 217 D HN 0.171 nan 8.370 nan 0.000 0.437 218 A N 1.742 124.597 122.820 0.058 0.000 1.873 218 A HA 0.077 4.397 4.320 -0.000 0.000 0.215 218 A C -1.393 176.188 177.584 -0.005 0.000 1.186 218 A CA 0.694 52.750 52.037 0.032 0.000 0.616 218 A CB -1.694 17.313 19.000 0.012 0.000 0.823 218 A HN 0.576 nan 8.150 nan 0.000 0.442 219 P HA 0.221 nan 4.420 nan 0.000 0.269 219 P C -0.214 177.021 177.300 -0.108 0.000 1.209 219 P CA 0.342 63.279 63.100 -0.272 0.000 0.776 219 P CB 0.558 31.796 31.700 -0.769 0.000 0.876 220 E N 0.636 120.846 120.200 0.016 0.000 2.320 220 E HA 0.388 4.738 4.350 -0.000 0.000 0.264 220 E C 0.637 177.383 176.600 0.243 0.000 0.923 220 E CA -0.859 55.670 56.400 0.215 0.000 0.796 220 E CB 1.356 31.243 29.700 0.311 0.000 1.262 220 E HN 0.433 nan 8.360 nan 0.000 0.428 221 G N 0.178 109.182 108.800 0.340 0.000 3.574 221 G HA2 0.195 4.155 3.960 -0.000 0.000 0.262 221 G HA3 0.195 4.155 3.960 -0.000 0.000 0.262 221 G C 0.899 175.920 174.900 0.201 0.000 1.231 221 G CA 0.215 45.529 45.100 0.356 0.000 1.608 221 G HN 0.462 nan 8.290 nan 0.000 0.628 222 G N 0.282 109.126 108.800 0.074 0.000 2.484 222 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.218 222 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.218 222 G C 1.260 176.114 174.900 -0.077 0.000 1.130 222 G CA 0.275 45.135 45.100 -0.400 0.000 0.784 222 G HN 0.385 nan 8.290 nan 0.000 0.543 223 F N 1.515 121.351 119.950 -0.190 0.000 2.293 223 F HA 0.097 4.623 4.527 -0.001 0.000 0.297 223 F C 2.190 177.879 175.800 -0.186 0.000 1.089 223 F CA 0.085 57.955 58.000 -0.217 0.000 1.377 223 F CB -0.275 38.641 39.000 -0.140 0.000 1.051 223 F HN 0.075 nan 8.300 nan 0.000 0.511 224 D N 0.090 120.544 120.400 0.090 0.000 2.123 224 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 224 D C 2.376 178.468 176.300 -0.347 0.000 0.992 224 D CA 1.469 55.399 54.000 -0.117 0.000 0.833 224 D CB -0.448 40.342 40.800 -0.017 0.000 0.954 224 D HN 0.199 nan 8.370 nan 0.000 0.455 225 A N 0.768 123.382 122.820 -0.343 0.000 1.858 225 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 225 A C 2.431 179.683 177.584 -0.553 0.000 1.190 225 A CA 1.015 52.675 52.037 -0.628 0.000 0.617 225 A CB -0.855 17.858 19.000 -0.478 0.000 0.827 225 A HN 0.197 nan 8.150 nan 0.000 0.443 226 I N -1.242 119.094 120.570 -0.391 0.000 2.194 226 I HA -0.341 3.829 4.170 -0.000 0.000 0.246 226 I C 2.684 178.605 176.117 -0.328 0.000 1.093 226 I CA 2.134 63.220 61.300 -0.356 0.000 1.355 226 I CB -0.257 37.433 38.000 -0.516 0.000 1.046 226 I HN 0.468 nan 8.210 nan 0.000 0.413 227 M N 0.326 119.727 119.600 -0.331 0.000 2.067 227 M HA -0.231 4.249 4.480 -0.000 0.000 0.260 227 M C 2.261 178.413 176.300 -0.247 0.000 1.069 227 M CA 1.883 57.023 55.300 -0.268 0.000 1.117 227 M CB -0.426 32.038 32.600 -0.226 0.000 1.334 227 M HN 0.084 nan 8.290 nan 0.000 0.407 228 Q N -0.253 119.351 119.800 -0.327 0.000 2.119 228 Q HA 0.012 4.352 4.340 -0.000 0.000 0.201 228 Q C 2.172 178.070 176.000 -0.170 0.000 0.972 228 Q CA 1.736 57.393 55.803 -0.242 0.000 0.847 228 Q CB -0.834 27.745 28.738 -0.266 0.000 0.903 228 Q HN 0.694 nan 8.270 nan 0.000 0.433 229 A N 0.146 122.812 122.820 -0.257 0.000 2.121 229 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 229 A C 2.085 179.697 177.584 0.047 0.000 1.154 229 A CA 1.608 53.577 52.037 -0.113 0.000 0.679 229 A CB -0.253 18.728 19.000 -0.032 0.000 0.795 229 A HN 0.314 nan 8.150 nan 0.000 0.458 230 T N -0.905 113.624 114.554 -0.042 0.000 2.953 230 T HA -0.005 4.345 4.350 -0.000 0.000 0.247 230 T C 1.967 176.632 174.700 -0.059 0.000 1.029 230 T CA 1.390 63.451 62.100 -0.066 0.000 1.144 230 T CB -0.342 68.410 68.868 -0.193 0.000 0.870 230 T HN 0.530 nan 8.240 nan 0.000 0.446 231 V N -0.318 119.546 119.914 -0.084 0.000 2.871 231 V HA 0.085 4.205 4.120 -0.000 0.000 0.256 231 V C 1.276 177.339 176.094 -0.052 0.000 1.082 231 V CA 0.337 62.590 62.300 -0.078 0.000 1.105 231 V CB -1.287 30.480 31.823 -0.093 0.000 0.713 231 V HN 0.421 nan 8.190 nan 0.000 0.473 232 c N 2.368 120.945 118.600 -0.038 0.000 2.700 232 c HA 0.356 4.926 4.570 -0.000 0.000 0.529 232 c C 1.492 175.559 174.090 -0.040 0.000 1.093 232 c CA -0.450 55.852 56.329 -0.045 0.000 1.320 232 c CB -1.959 40.524 42.510 -0.045 0.000 1.478 232 c HN 0.556 nan 8.230 nan 0.000 0.598 233 D N 1.377 121.781 120.400 0.007 0.000 2.104 233 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 233 D C 1.885 178.163 176.300 -0.035 0.000 0.994 233 D CA 1.512 55.552 54.000 0.066 0.000 0.830 233 D CB 0.066 40.901 40.800 0.059 0.000 0.959 233 D HN 0.637 nan 8.370 nan 0.000 0.452 234 E N -0.230 119.938 120.200 -0.053 0.000 2.268 234 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 234 E C 1.772 178.299 176.600 -0.120 0.000 0.995 234 E CA 0.646 57.006 56.400 -0.067 0.000 0.836 234 E CB 0.135 29.808 29.700 -0.046 0.000 0.763 234 E HN 0.133 nan 8.360 nan 0.000 0.491 235 K N 0.339 120.631 120.400 -0.180 0.000 2.128 235 K HA -0.012 4.308 4.320 -0.000 0.000 0.202 235 K C 1.831 178.148 176.600 -0.471 0.000 1.050 235 K CA 0.419 56.528 56.287 -0.298 0.000 0.966 235 K CB 0.270 32.583 32.500 -0.313 0.000 0.759 235 K HN -0.053 nan 8.250 nan 0.000 0.454 236 I N 0.773 121.058 120.570 -0.475 0.000 2.193 236 I HA 0.005 4.175 4.170 -0.000 0.000 0.240 236 I C 1.188 177.009 176.117 -0.493 0.000 1.084 236 I CA 1.850 62.796 61.300 -0.591 0.000 1.365 236 I CB -1.139 36.325 38.000 -0.892 0.000 1.064 236 I HN 0.525 nan 8.210 nan 0.000 0.410 237 G N 0.554 109.096 108.800 -0.430 0.000 2.392 237 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 237 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 237 G C -0.537 174.227 174.900 -0.227 0.000 1.097 237 G CA -0.562 44.392 45.100 -0.244 0.000 0.840 237 G HN 0.254 nan 8.290 nan 0.000 0.492 238 W N 0.586 121.830 121.300 -0.094 0.000 2.253 238 W HA 0.552 5.212 4.660 0.001 0.000 0.322 238 W C 1.297 177.813 176.519 -0.006 0.000 1.342 238 W CA -0.700 56.581 57.345 -0.107 0.000 1.218 238 W CB 0.591 29.827 29.460 -0.374 0.000 1.205 238 W HN 0.150 nan 8.180 nan 0.000 0.551 239 R N 2.310 123.038 120.500 0.380 0.000 2.490 239 R HA 0.042 4.382 4.340 -0.000 0.000 0.280 239 R C 0.866 177.373 176.300 0.345 0.000 1.077 239 R CA -0.511 55.752 56.100 0.272 0.000 1.065 239 R CB 0.671 31.081 30.300 0.184 0.000 1.003 239 R HN 0.522 nan 8.270 nan 0.000 0.470 240 N N 1.109 119.934 118.700 0.208 0.000 2.188 240 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 240 N C -0.425 175.209 175.510 0.207 0.000 1.018 240 N CA 1.296 54.464 53.050 0.196 0.000 0.858 240 N CB 0.223 38.785 38.487 0.125 0.000 0.989 240 N HN 0.463 nan 8.380 nan 0.000 0.426 241 D N 0.261 120.751 120.400 0.151 0.000 2.551 241 D HA 0.558 5.198 4.640 -0.000 0.000 0.294 241 D C -0.784 175.462 176.300 -0.090 0.000 1.201 241 D CA -0.006 54.080 54.000 0.143 0.000 0.941 241 D CB 0.548 41.412 40.800 0.107 0.000 0.995 241 D HN 0.127 nan 8.370 nan 0.000 0.502 242 A N 0.142 122.947 122.820 -0.025 0.000 2.594 242 A HA 0.534 4.854 4.320 -0.000 0.000 0.296 242 A C -0.370 177.076 177.584 -0.230 0.000 1.056 242 A CA -0.718 51.192 52.037 -0.211 0.000 0.693 242 A CB 1.078 20.022 19.000 -0.092 0.000 1.278 242 A HN 0.051 nan 8.150 nan 0.000 0.408 243 S N 0.824 116.498 115.700 -0.044 0.000 2.549 243 S HA 0.372 4.842 4.470 -0.000 0.000 0.279 243 S C -0.469 173.999 174.600 -0.220 0.000 1.321 243 S CA 0.233 58.322 58.200 -0.184 0.000 1.054 243 S CB -0.142 63.148 63.200 0.150 0.000 0.899 243 S HN 0.610 nan 8.310 nan 0.000 0.497 244 H N 1.759 120.813 119.070 -0.028 0.000 2.638 244 H HA 0.417 4.972 4.556 -0.000 0.000 0.303 244 H C -0.705 174.599 175.328 -0.039 0.000 1.034 244 H CA -0.588 55.433 56.048 -0.046 0.000 1.225 244 H CB 0.425 29.887 29.762 -0.499 0.000 1.394 244 H HN 0.326 nan 8.280 nan 0.000 0.477 245 L N 4.236 125.619 121.223 0.266 0.000 2.287 245 L HA 0.264 4.604 4.340 -0.000 0.000 0.287 245 L C -0.673 176.386 176.870 0.315 0.000 1.022 245 L CA -0.923 54.038 54.840 0.202 0.000 0.814 245 L CB 1.293 43.460 42.059 0.179 0.000 1.217 245 L HN 0.393 nan 8.230 nan 0.000 0.420 246 L N 5.453 126.792 121.223 0.194 0.000 2.297 246 L HA 0.374 4.714 4.340 -0.000 0.000 0.277 246 L C -0.281 176.669 176.870 0.133 0.000 1.040 246 L CA -0.251 54.745 54.840 0.261 0.000 0.867 246 L CB 1.282 43.431 42.059 0.151 0.000 1.244 246 L HN 0.264 nan 8.230 nan 0.000 0.433 247 V N 5.577 125.576 119.914 0.141 0.000 2.470 247 V HA 0.116 4.236 4.120 -0.000 0.000 0.276 247 V C -0.175 175.912 176.094 -0.012 0.000 1.040 247 V CA 0.068 62.379 62.300 0.018 0.000 1.008 247 V CB 0.392 32.184 31.823 -0.052 0.000 0.990 247 V HN 0.604 nan 8.190 nan 0.000 0.477 248 F N 5.720 125.584 119.950 -0.144 0.000 2.382 248 F HA 0.547 5.074 4.527 0.000 0.000 0.361 248 F C 0.458 176.229 175.800 -0.048 0.000 1.109 248 F CA -0.569 57.385 58.000 -0.076 0.000 1.031 248 F CB 1.254 40.213 39.000 -0.069 0.000 1.234 248 F HN 0.539 nan 8.300 nan 0.000 0.445 249 T N 2.143 116.422 114.554 -0.458 0.000 2.770 249 T HA 0.682 5.032 4.350 -0.000 0.000 0.283 249 T C -0.253 174.205 174.700 -0.404 0.000 0.988 249 T CA -0.609 61.278 62.100 -0.356 0.000 0.957 249 T CB 1.611 70.331 68.868 -0.247 0.000 0.930 249 T HN 0.653 nan 8.240 nan 0.000 0.443 250 T N 1.007 115.374 114.554 -0.312 0.000 2.749 250 T HA 0.460 4.810 4.350 -0.000 0.000 0.310 250 T C -1.165 173.504 174.700 -0.052 0.000 1.496 250 T CA -0.531 61.457 62.100 -0.187 0.000 1.006 250 T CB 1.716 70.487 68.868 -0.163 0.000 1.457 250 T HN 0.734 nan 8.240 nan 0.000 0.497 251 D N 0.091 120.500 120.400 0.014 0.000 2.540 251 D HA 0.554 5.194 4.640 -0.000 0.000 0.229 251 D C 0.160 176.518 176.300 0.097 0.000 1.250 251 D CA -0.124 53.909 54.000 0.056 0.000 0.817 251 D CB 0.426 41.246 40.800 0.033 0.000 1.060 251 D HN 0.635 nan 8.370 nan 0.000 0.508 252 A N -0.043 122.862 122.820 0.141 0.000 2.524 252 A HA 0.629 4.949 4.320 -0.000 0.000 0.289 252 A C -0.523 177.181 177.584 0.199 0.000 1.248 252 A CA -0.922 51.193 52.037 0.131 0.000 0.712 252 A CB 1.287 20.338 19.000 0.084 0.000 1.312 252 A HN -0.040 nan 8.150 nan 0.000 0.441 253 K N -0.292 120.147 120.400 0.066 0.000 2.187 253 K HA 0.440 4.760 4.320 -0.000 0.000 0.247 253 K C -0.109 176.495 176.600 0.007 0.000 1.019 253 K CA 0.272 56.545 56.287 -0.024 0.000 0.893 253 K CB 0.418 32.827 32.500 -0.150 0.000 1.025 253 K HN 0.595 nan 8.250 nan 0.000 0.500 254 T N 0.431 114.909 114.554 -0.127 0.000 2.856 254 T HA 0.168 4.518 4.350 -0.000 0.000 0.283 254 T C -0.638 173.746 174.700 -0.526 0.000 1.008 254 T CA -0.788 61.145 62.100 -0.279 0.000 0.997 254 T CB 0.506 69.079 68.868 -0.491 0.000 0.992 254 T HN 0.364 nan 8.240 nan 0.000 0.454 255 H N 3.368 122.114 119.070 -0.541 0.000 2.757 255 H HA 0.440 4.996 4.556 -0.000 0.000 0.370 255 H C 0.500 175.372 175.328 -0.760 0.000 1.172 255 H CA 0.346 55.942 56.048 -0.753 0.000 1.426 255 H CB 0.721 29.626 29.762 -1.428 0.000 1.438 255 H HN 0.660 nan 8.280 nan 0.000 0.612 256 I N -1.625 118.729 120.570 -0.359 0.000 3.174 256 I HA 0.628 4.798 4.170 -0.000 0.000 0.313 256 I C -0.188 175.972 176.117 0.072 0.000 1.155 256 I CA -1.513 59.712 61.300 -0.126 0.000 0.977 256 I CB 1.693 39.641 38.000 -0.087 0.000 1.248 256 I HN 0.493 nan 8.210 nan 0.000 0.453 257 A N 2.781 125.701 122.820 0.166 0.000 2.561 257 A HA 0.375 4.695 4.320 -0.000 0.000 0.234 257 A C 0.799 178.480 177.584 0.161 0.000 1.055 257 A CA 0.624 52.780 52.037 0.199 0.000 0.756 257 A CB -0.374 18.713 19.000 0.145 0.000 0.986 257 A HN 1.132 nan 8.150 nan 0.000 0.505 258 L N -0.278 121.052 121.223 0.178 0.000 4.110 258 L HA -0.256 4.084 4.340 -0.000 0.000 0.404 258 L C 0.980 177.950 176.870 0.167 0.000 0.763 258 L CA 0.985 55.909 54.840 0.140 0.000 2.413 258 L CB -1.489 40.629 42.059 0.098 0.000 1.244 258 L HN 0.733 nan 8.230 nan 0.000 0.614 259 D N 0.711 121.251 120.400 0.233 0.000 2.144 259 D HA -0.061 4.579 4.640 -0.000 0.000 0.200 259 D C 1.976 178.465 176.300 0.314 0.000 0.978 259 D CA 1.584 55.747 54.000 0.273 0.000 0.833 259 D CB -0.232 40.755 40.800 0.311 0.000 0.961 259 D HN 0.562 nan 8.370 nan 0.000 0.470 260 G N 0.779 109.794 108.800 0.358 0.000 2.499 260 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.221 260 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.221 260 G C 1.629 176.609 174.900 0.133 0.000 1.109 260 G CA 0.671 45.914 45.100 0.238 0.000 0.749 260 G HN 0.248 nan 8.290 nan 0.000 0.568 261 R N -0.638 119.929 120.500 0.112 0.000 2.127 261 R HA -0.033 4.307 4.340 -0.000 0.000 0.238 261 R C 2.205 178.522 176.300 0.029 0.000 1.134 261 R CA 0.931 57.066 56.100 0.059 0.000 0.975 261 R CB -0.276 30.058 30.300 0.057 0.000 0.865 261 R HN 0.350 nan 8.270 nan 0.000 0.447 262 L N -0.119 121.127 121.223 0.039 0.000 2.265 262 L HA -0.058 4.282 4.340 -0.000 0.000 0.215 262 L C 1.815 178.604 176.870 -0.135 0.000 1.117 262 L CA 1.565 56.386 54.840 -0.032 0.000 0.782 262 L CB -0.208 41.843 42.059 -0.013 0.000 0.914 262 L HN 0.209 nan 8.230 nan 0.000 0.441 263 A N -1.368 121.380 122.820 -0.120 0.000 2.460 263 A HA 0.520 4.840 4.320 -0.000 0.000 0.258 263 A C 1.682 179.226 177.584 -0.065 0.000 1.300 263 A CA 0.439 52.376 52.037 -0.166 0.000 0.913 263 A CB -0.525 18.396 19.000 -0.132 0.000 1.031 263 A HN 0.420 nan 8.150 nan 0.000 0.512 264 G N -0.360 108.417 108.800 -0.039 0.000 2.162 264 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 264 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 264 G C 0.112 175.005 174.900 -0.011 0.000 0.976 264 G CA 0.464 45.550 45.100 -0.024 0.000 0.655 264 G HN 0.535 nan 8.290 nan 0.000 0.533 265 I N 1.279 121.849 120.570 0.000 0.000 2.325 265 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 265 I C 1.596 177.722 176.117 0.015 0.000 1.019 265 I CA -0.251 61.048 61.300 -0.002 0.000 1.302 265 I CB 1.442 39.433 38.000 -0.015 0.000 1.401 265 I HN 0.092 nan 8.210 nan 0.000 0.485 266 V N 1.598 121.518 119.914 0.009 0.000 3.484 266 V HA 0.130 4.250 4.120 -0.000 0.000 0.252 266 V C 0.908 177.013 176.094 0.020 0.000 1.282 266 V CA -0.108 62.204 62.300 0.020 0.000 1.104 266 V CB -0.302 31.531 31.823 0.016 0.000 0.868 266 V HN 0.805 nan 8.190 nan 0.000 0.457 267 Q N 2.494 122.299 119.800 0.008 0.000 2.320 267 Q HA 0.111 4.451 4.340 -0.000 0.000 0.311 267 Q C -2.282 173.732 176.000 0.023 0.000 1.083 267 Q CA -1.000 54.809 55.803 0.009 0.000 1.001 267 Q CB 0.607 29.341 28.738 -0.007 0.000 1.074 267 Q HN 0.367 nan 8.270 nan 0.000 0.379 268 P HA -0.046 nan 4.420 nan 0.000 0.272 268 P C -0.721 176.612 177.300 0.055 0.000 1.223 268 P CA -0.238 62.889 63.100 0.046 0.000 0.784 268 P CB 0.482 32.208 31.700 0.043 0.000 0.923 269 N N 2.333 121.075 118.700 0.070 0.000 2.468 269 N HA -0.054 4.686 4.740 -0.000 0.000 0.265 269 N C 0.462 176.022 175.510 0.083 0.000 1.199 269 N CA 0.172 53.275 53.050 0.088 0.000 0.928 269 N CB 0.448 38.989 38.487 0.090 0.000 1.059 269 N HN 0.368 nan 8.380 nan 0.000 0.467 270 D N 2.467 122.935 120.400 0.114 0.000 2.349 270 D HA 0.069 4.709 4.640 -0.000 0.000 0.215 270 D C 1.143 177.489 176.300 0.076 0.000 1.016 270 D CA 0.631 54.693 54.000 0.103 0.000 0.870 270 D CB -0.362 40.526 40.800 0.146 0.000 0.917 270 D HN 0.705 nan 8.370 nan 0.000 0.524 271 G N -0.099 108.742 108.800 0.069 0.000 2.153 271 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.252 271 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.252 271 G C 0.007 174.900 174.900 -0.013 0.000 0.994 271 G CA 0.218 45.326 45.100 0.013 0.000 0.698 271 G HN 0.403 nan 8.290 nan 0.000 0.521 272 Q N -0.870 118.933 119.800 0.004 0.000 2.215 272 Q HA 0.515 4.855 4.340 -0.000 0.000 0.256 272 Q C 0.544 176.355 176.000 -0.316 0.000 0.972 272 Q CA -0.586 55.131 55.803 -0.144 0.000 0.889 272 Q CB 1.853 30.500 28.738 -0.152 0.000 1.281 272 Q HN 0.451 nan 8.270 nan 0.000 0.456 273 c N 2.649 121.044 118.600 -0.343 0.000 2.593 273 c HA 0.241 4.811 4.570 -0.000 0.000 0.409 273 c C 0.044 173.860 174.090 -0.457 0.000 1.304 273 c CA 0.056 56.231 56.329 -0.256 0.000 2.007 273 c CB -0.771 41.663 42.510 -0.126 0.000 2.614 273 c HN 0.688 nan 8.230 nan 0.000 0.585 274 H N 4.191 123.388 119.070 0.212 0.000 2.901 274 H HA 0.195 4.751 4.556 -0.000 0.000 0.227 274 H C 0.672 176.156 175.328 0.260 0.000 1.390 274 H CA -0.086 56.093 56.048 0.218 0.000 1.120 274 H CB 0.254 30.158 29.762 0.236 0.000 2.131 274 H HN 0.551 nan 8.280 nan 0.000 0.549 275 V N -0.548 119.525 119.914 0.264 0.000 2.672 275 V HA 0.201 4.321 4.120 -0.000 0.000 0.242 275 V C 1.592 177.775 176.094 0.149 0.000 1.059 275 V CA 1.031 63.472 62.300 0.235 0.000 1.081 275 V CB -0.023 31.908 31.823 0.180 0.000 0.752 275 V HN 0.800 nan 8.190 nan 0.000 0.472 276 G N 1.040 109.899 108.800 0.099 0.000 2.752 276 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.234 276 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.234 276 G C 0.807 175.737 174.900 0.050 0.000 1.367 276 G CA 0.439 45.582 45.100 0.071 0.000 0.879 276 G HN 0.917 nan 8.290 nan 0.000 0.563 277 S N -0.630 115.096 115.700 0.044 0.000 2.522 277 S HA 0.020 4.490 4.470 -0.000 0.000 0.227 277 S C 1.488 176.115 174.600 0.045 0.000 0.986 277 S CA 1.629 59.849 58.200 0.034 0.000 0.929 277 S CB 0.071 63.288 63.200 0.028 0.000 0.769 277 S HN 1.197 nan 8.310 nan 0.000 0.529 278 D N 0.892 121.333 120.400 0.068 0.000 2.349 278 D HA 0.034 4.674 4.640 -0.000 0.000 0.214 278 D C -0.270 176.086 176.300 0.093 0.000 1.063 278 D CA -0.217 53.839 54.000 0.093 0.000 0.847 278 D CB -0.912 39.960 40.800 0.121 0.000 0.933 278 D HN 0.174 nan 8.370 nan 0.000 0.513 279 N N 1.095 119.824 118.700 0.049 0.000 2.738 279 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 279 N C -1.156 174.237 175.510 -0.195 0.000 1.047 279 N CA 0.691 53.720 53.050 -0.035 0.000 0.707 279 N CB -2.007 36.453 38.487 -0.046 0.000 0.937 279 N HN 0.580 nan 8.380 nan 0.000 0.545 280 H N -0.314 118.776 119.070 0.034 0.000 2.771 280 H HA 0.136 4.692 4.556 -0.000 0.000 0.361 280 H C -0.697 174.751 175.328 0.199 0.000 1.108 280 H CA -0.571 55.519 56.048 0.071 0.000 1.201 280 H CB 1.052 30.850 29.762 0.060 0.000 1.681 280 H HN 0.129 nan 8.280 nan 0.000 0.534 281 Y N 3.470 123.943 120.300 0.288 0.000 2.697 281 Y HA -0.072 4.478 4.550 -0.000 0.000 0.349 281 Y C 1.328 177.361 175.900 0.223 0.000 1.120 281 Y CA -0.105 58.176 58.100 0.301 0.000 1.468 281 Y CB 0.367 39.055 38.460 0.380 0.000 1.182 281 Y HN 0.583 nan 8.280 nan 0.000 0.525 282 S N 3.740 119.394 115.700 -0.078 0.000 2.414 282 S HA -0.060 4.410 4.470 -0.000 0.000 0.227 282 S C 1.800 176.147 174.600 -0.422 0.000 1.022 282 S CA 0.481 58.579 58.200 -0.170 0.000 0.958 282 S CB -0.364 62.804 63.200 -0.052 0.000 0.797 282 S HN 0.717 nan 8.310 nan 0.000 0.493 283 A N 1.111 123.444 122.820 -0.812 0.000 2.259 283 A HA 0.362 4.682 4.320 -0.000 0.000 0.208 283 A C 2.033 179.173 177.584 -0.740 0.000 1.201 283 A CA 0.703 52.295 52.037 -0.742 0.000 0.824 283 A CB -0.920 17.676 19.000 -0.674 0.000 0.838 283 A HN 0.494 nan 8.150 nan 0.000 0.485 284 S N 0.305 115.504 115.700 -0.835 0.000 2.383 284 S HA -0.164 4.306 4.470 -0.000 0.000 0.229 284 S C 2.066 176.597 174.600 -0.115 0.000 1.030 284 S CA 2.380 60.433 58.200 -0.245 0.000 1.002 284 S CB -0.304 62.922 63.200 0.044 0.000 0.829 284 S HN 0.824 nan 8.310 nan 0.000 0.467 285 T N -2.000 112.477 114.554 -0.129 0.000 3.081 285 T HA 0.120 4.470 4.350 -0.000 0.000 0.250 285 T C 1.365 176.015 174.700 -0.084 0.000 1.100 285 T CA 0.961 63.019 62.100 -0.071 0.000 1.038 285 T CB 0.063 68.902 68.868 -0.047 0.000 0.962 285 T HN 0.498 nan 8.240 nan 0.000 0.516 286 T N -1.695 112.785 114.554 -0.124 0.000 3.003 286 T HA 0.489 4.839 4.350 -0.000 0.000 0.261 286 T C 0.081 174.726 174.700 -0.093 0.000 1.003 286 T CA -0.583 61.453 62.100 -0.105 0.000 0.917 286 T CB 0.024 68.817 68.868 -0.124 0.000 1.084 286 T HN 0.376 nan 8.240 nan 0.000 0.522 287 M N 1.823 121.365 119.600 -0.095 0.000 2.530 287 M HA 0.520 5.000 4.480 -0.000 0.000 0.307 287 M C -1.617 174.654 176.300 -0.049 0.000 1.161 287 M CA -0.754 54.519 55.300 -0.044 0.000 0.903 287 M CB 2.251 34.847 32.600 -0.007 0.000 1.711 287 M HN -0.094 nan 8.290 nan 0.000 0.451 288 D N 1.474 121.862 120.400 -0.020 0.000 2.377 288 D HA 0.164 4.804 4.640 -0.000 0.000 0.245 288 D C -1.125 175.161 176.300 -0.023 0.000 1.196 288 D CA 0.341 54.318 54.000 -0.038 0.000 0.962 288 D CB 0.579 41.411 40.800 0.052 0.000 1.127 288 D HN 0.419 nan 8.370 nan 0.000 0.471 289 Y N 0.714 121.064 120.300 0.084 0.000 2.550 289 Y HA 0.152 4.701 4.550 -0.000 0.000 0.343 289 Y C -1.265 174.685 175.900 0.084 0.000 1.245 289 Y CA -1.064 57.087 58.100 0.086 0.000 1.462 289 Y CB -0.184 38.323 38.460 0.078 0.000 1.340 289 Y HN 0.226 nan 8.280 nan 0.000 0.604 290 P HA 0.075 nan 4.420 nan 0.000 0.274 290 P C -0.703 176.691 177.300 0.158 0.000 1.231 290 P CA -0.453 62.728 63.100 0.136 0.000 0.790 290 P CB 1.136 32.863 31.700 0.046 0.000 0.951 291 S N 1.476 117.232 115.700 0.093 0.000 2.669 291 S HA 0.156 4.626 4.470 -0.000 0.000 0.270 291 S C 1.203 175.828 174.600 0.040 0.000 1.225 291 S CA -0.617 57.635 58.200 0.086 0.000 0.991 291 S CB 0.271 63.509 63.200 0.062 0.000 0.987 291 S HN 0.300 nan 8.310 nan 0.000 0.552 292 L N 1.859 123.111 121.223 0.048 0.000 2.131 292 L HA 0.168 4.508 4.340 -0.000 0.000 0.210 292 L C 2.244 179.087 176.870 -0.046 0.000 1.092 292 L CA 2.258 57.092 54.840 -0.009 0.000 0.759 292 L CB -1.420 40.663 42.059 0.039 0.000 0.903 292 L HN 0.998 nan 8.230 nan 0.000 0.435 293 G N -0.933 107.858 108.800 -0.014 0.000 2.394 293 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.214 293 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.214 293 G C 1.533 176.407 174.900 -0.043 0.000 1.176 293 G CA 0.705 45.792 45.100 -0.021 0.000 0.786 293 G HN 0.359 nan 8.290 nan 0.000 0.533 294 L N 0.391 121.593 121.223 -0.035 0.000 2.079 294 L HA 0.099 4.439 4.340 -0.000 0.000 0.210 294 L C 2.727 179.544 176.870 -0.089 0.000 1.081 294 L CA 1.937 56.751 54.840 -0.044 0.000 0.752 294 L CB -0.312 41.736 42.059 -0.019 0.000 0.896 294 L HN 0.302 nan 8.230 nan 0.000 0.433 295 M N -1.630 117.891 119.600 -0.132 0.000 2.175 295 M HA -0.196 4.284 4.480 -0.000 0.000 0.264 295 M C 1.878 178.052 176.300 -0.210 0.000 1.063 295 M CA 2.116 57.285 55.300 -0.218 0.000 1.119 295 M CB -0.178 32.203 32.600 -0.365 0.000 1.377 295 M HN 0.315 nan 8.290 nan 0.000 0.415 296 T N -0.163 114.291 114.554 -0.167 0.000 2.821 296 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 296 T C 1.540 176.172 174.700 -0.114 0.000 1.046 296 T CA 1.541 63.558 62.100 -0.138 0.000 1.139 296 T CB -0.334 68.479 68.868 -0.092 0.000 0.871 296 T HN 0.539 nan 8.240 nan 0.000 0.454 297 E N 1.065 121.210 120.200 -0.092 0.000 2.049 297 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 297 E C 2.021 178.565 176.600 -0.094 0.000 1.007 297 E CA 1.106 57.461 56.400 -0.075 0.000 0.809 297 E CB 0.085 29.753 29.700 -0.054 0.000 0.749 297 E HN 0.184 nan 8.360 nan 0.000 0.450 298 K N 0.374 120.705 120.400 -0.114 0.000 2.103 298 K HA -0.072 4.248 4.320 -0.000 0.000 0.204 298 K C 2.332 178.829 176.600 -0.170 0.000 1.052 298 K CA 0.579 56.787 56.287 -0.131 0.000 0.945 298 K CB -0.428 31.990 32.500 -0.136 0.000 0.722 298 K HN 0.283 nan 8.250 nan 0.000 0.443 299 L N 0.776 121.883 121.223 -0.193 0.000 2.083 299 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 299 L C 2.647 179.402 176.870 -0.193 0.000 1.083 299 L CA 1.170 55.875 54.840 -0.225 0.000 0.752 299 L CB -0.411 41.507 42.059 -0.235 0.000 0.899 299 L HN 0.157 nan 8.230 nan 0.000 0.433 300 S N -0.914 114.698 115.700 -0.145 0.000 2.371 300 S HA -0.178 4.292 4.470 -0.000 0.000 0.224 300 S C 1.929 176.470 174.600 -0.099 0.000 1.029 300 S CA 1.070 59.203 58.200 -0.112 0.000 0.978 300 S CB 0.014 63.164 63.200 -0.084 0.000 0.833 300 S HN 0.423 nan 8.310 nan 0.000 0.466 301 Q N -0.062 119.679 119.800 -0.099 0.000 2.119 301 Q HA 0.033 4.373 4.340 -0.000 0.000 0.201 301 Q C 1.335 177.273 176.000 -0.103 0.000 0.972 301 Q CA 0.867 56.622 55.803 -0.080 0.000 0.847 301 Q CB 0.031 28.727 28.738 -0.071 0.000 0.903 301 Q HN 0.268 nan 8.270 nan 0.000 0.433 302 K N 0.771 121.072 120.400 -0.165 0.000 2.417 302 K HA 0.067 4.387 4.320 -0.000 0.000 0.196 302 K C -0.259 176.175 176.600 -0.277 0.000 1.023 302 K CA -0.032 56.110 56.287 -0.243 0.000 1.122 302 K CB 0.238 32.535 32.500 -0.338 0.000 0.850 302 K HN 0.156 nan 8.250 nan 0.000 0.521 303 N N 1.430 120.027 118.700 -0.172 0.000 2.696 303 N HA -0.190 4.550 4.740 -0.000 0.000 0.256 303 N C -0.787 174.633 175.510 -0.151 0.000 1.031 303 N CA 0.735 53.717 53.050 -0.113 0.000 0.730 303 N CB -1.132 37.356 38.487 0.002 0.000 0.894 303 N HN 0.206 nan 8.380 nan 0.000 0.544 304 I N 0.355 120.753 120.570 -0.286 0.000 2.377 304 I HA 0.192 4.362 4.170 -0.000 0.000 0.293 304 I C 0.568 176.531 176.117 -0.256 0.000 0.987 304 I CA -0.517 60.563 61.300 -0.368 0.000 1.185 304 I CB 1.366 39.055 38.000 -0.519 0.000 1.341 304 I HN 0.048 nan 8.210 nan 0.000 0.455 305 N N 5.258 123.836 118.700 -0.203 0.000 2.558 305 N HA 0.241 4.981 4.740 -0.000 0.000 0.233 305 N C -0.451 174.962 175.510 -0.162 0.000 1.038 305 N CA -0.551 52.404 53.050 -0.158 0.000 0.934 305 N CB 0.843 39.267 38.487 -0.104 0.000 1.175 305 N HN 0.348 nan 8.380 nan 0.000 0.512 306 L N 4.100 125.174 121.223 -0.248 0.000 2.418 306 L HA 0.301 4.641 4.340 -0.000 0.000 0.274 306 L C -0.698 175.929 176.870 -0.406 0.000 1.135 306 L CA 0.286 54.906 54.840 -0.366 0.000 0.870 306 L CB 0.081 41.803 42.059 -0.562 0.000 1.154 306 L HN 0.464 nan 8.230 nan 0.000 0.462 307 I N 6.338 126.737 120.570 -0.285 0.000 2.328 307 I HA 0.172 4.342 4.170 -0.000 0.000 0.287 307 I C -0.759 175.275 176.117 -0.138 0.000 1.012 307 I CA -0.459 60.744 61.300 -0.162 0.000 1.195 307 I CB 0.612 38.605 38.000 -0.011 0.000 1.350 307 I HN 0.433 nan 8.210 nan 0.000 0.464 308 F N 5.438 125.446 119.950 0.097 0.000 2.464 308 F HA 0.315 4.842 4.527 -0.000 0.000 0.353 308 F C 0.942 176.770 175.800 0.046 0.000 1.191 308 F CA -0.492 57.568 58.000 0.099 0.000 1.147 308 F CB 0.470 39.531 39.000 0.102 0.000 1.294 308 F HN 0.445 nan 8.300 nan 0.000 0.583 309 A N 4.511 127.430 122.820 0.165 0.000 2.366 309 A HA 0.659 4.979 4.320 -0.000 0.000 0.322 309 A C -0.311 177.283 177.584 0.017 0.000 1.397 309 A CA -0.436 51.647 52.037 0.075 0.000 0.984 309 A CB -0.216 18.799 19.000 0.025 0.000 1.149 309 A HN 0.600 nan 8.150 nan 0.000 0.540 310 V N 0.318 120.259 119.914 0.046 0.000 3.102 310 V HA 0.882 5.002 4.120 -0.000 0.000 0.312 310 V C 0.172 176.306 176.094 0.068 0.000 1.135 310 V CA -0.334 61.982 62.300 0.027 0.000 1.022 310 V CB 1.252 33.097 31.823 0.037 0.000 1.056 310 V HN 0.873 nan 8.190 nan 0.000 0.436 311 T N -1.652 112.946 114.554 0.072 0.000 2.868 311 T HA 0.326 4.676 4.350 -0.000 0.000 0.292 311 T C 0.837 175.584 174.700 0.078 0.000 1.028 311 T CA 0.611 62.752 62.100 0.068 0.000 1.059 311 T CB 1.324 70.227 68.868 0.057 0.000 0.991 311 T HN 0.999 nan 8.240 nan 0.000 0.531 312 E N 1.657 121.893 120.200 0.060 0.000 2.097 312 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 312 E C 2.055 178.684 176.600 0.049 0.000 1.000 312 E CA 2.097 58.529 56.400 0.053 0.000 0.804 312 E CB -0.417 29.307 29.700 0.040 0.000 0.740 312 E HN 0.793 nan 8.360 nan 0.000 0.454 313 N N -0.017 118.711 118.700 0.046 0.000 2.272 313 N HA -0.153 4.587 4.740 -0.000 0.000 0.185 313 N C 1.454 176.984 175.510 0.035 0.000 1.014 313 N CA 1.447 54.518 53.050 0.035 0.000 0.870 313 N CB -0.092 38.414 38.487 0.033 0.000 0.975 313 N HN 0.227 nan 8.380 nan 0.000 0.433 314 V N 0.265 120.222 119.914 0.071 0.000 3.159 314 V HA 0.167 4.287 4.120 -0.000 0.000 0.333 314 V C 1.570 177.743 176.094 0.133 0.000 1.424 314 V CA -0.129 62.220 62.300 0.081 0.000 1.125 314 V CB 0.188 32.108 31.823 0.162 0.000 1.075 314 V HN -0.020 nan 8.190 nan 0.000 0.482 315 V N 1.318 121.297 119.914 0.109 0.000 2.343 315 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 315 V C 2.375 178.504 176.094 0.058 0.000 1.051 315 V CA 2.624 64.997 62.300 0.120 0.000 1.036 315 V CB -0.573 31.300 31.823 0.084 0.000 0.654 315 V HN 0.661 nan 8.190 nan 0.000 0.451 316 N N 0.070 118.766 118.700 -0.008 0.000 2.104 316 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 316 N C 1.631 177.045 175.510 -0.160 0.000 1.024 316 N CA 1.396 54.408 53.050 -0.063 0.000 0.853 316 N CB -0.642 37.803 38.487 -0.070 0.000 1.008 316 N HN 0.408 nan 8.380 nan 0.000 0.424 317 L N 0.110 121.189 121.223 -0.239 0.000 1.989 317 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 317 L C 1.689 178.167 176.870 -0.654 0.000 1.071 317 L CA 1.743 56.276 54.840 -0.511 0.000 0.749 317 L CB -0.837 40.868 42.059 -0.590 0.000 0.890 317 L HN 0.126 nan 8.230 nan 0.000 0.431 318 Y N -1.047 119.102 120.300 -0.252 0.000 2.337 318 Y HA -0.112 4.438 4.550 0.000 0.000 0.293 318 Y C 2.711 178.471 175.900 -0.234 0.000 1.123 318 Y CA 1.185 59.090 58.100 -0.325 0.000 1.201 318 Y CB -0.547 37.700 38.460 -0.355 0.000 1.011 318 Y HN 0.322 nan 8.280 nan 0.000 0.545 319 Q N 0.894 120.704 119.800 0.017 0.000 2.135 319 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 319 Q C 1.583 177.582 176.000 -0.002 0.000 0.981 319 Q CA 1.955 57.784 55.803 0.043 0.000 0.856 319 Q CB -0.276 28.480 28.738 0.030 0.000 0.902 319 Q HN 0.316 nan 8.270 nan 0.000 0.425 320 N N -1.062 117.571 118.700 -0.111 0.000 2.106 320 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 320 N C 1.374 176.851 175.510 -0.056 0.000 1.029 320 N CA 1.296 54.267 53.050 -0.131 0.000 0.848 320 N CB -0.547 37.786 38.487 -0.257 0.000 1.007 320 N HN 0.300 nan 8.380 nan 0.000 0.423 321 Y N 1.206 121.456 120.300 -0.083 0.000 2.165 321 Y HA -0.111 4.439 4.550 -0.001 0.000 0.286 321 Y C 2.780 178.727 175.900 0.077 0.000 1.155 321 Y CA 0.714 58.794 58.100 -0.035 0.000 1.164 321 Y CB -1.008 37.380 38.460 -0.120 0.000 0.978 321 Y HN 0.043 nan 8.280 nan 0.000 0.513 322 S N -0.389 115.479 115.700 0.280 0.000 2.399 322 S HA -0.191 4.279 4.470 -0.000 0.000 0.231 322 S C 1.904 176.613 174.600 0.181 0.000 1.022 322 S CA 1.286 59.684 58.200 0.330 0.000 0.983 322 S CB -0.222 63.186 63.200 0.347 0.000 0.803 322 S HN 0.544 nan 8.310 nan 0.000 0.480 323 E N 0.422 120.695 120.200 0.122 0.000 2.153 323 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 323 E C 1.963 178.605 176.600 0.070 0.000 0.988 323 E CA 1.159 57.603 56.400 0.073 0.000 0.811 323 E CB -0.179 29.546 29.700 0.043 0.000 0.746 323 E HN 0.535 nan 8.360 nan 0.000 0.466 324 L N 0.440 121.722 121.223 0.100 0.000 2.131 324 L HA 0.050 4.390 4.340 -0.000 0.000 0.206 324 L C 1.234 178.143 176.870 0.065 0.000 1.087 324 L CA 0.440 55.330 54.840 0.084 0.000 0.767 324 L CB -0.047 42.082 42.059 0.116 0.000 0.917 324 L HN 0.017 nan 8.230 nan 0.000 0.441 325 I N 2.548 123.175 120.570 0.094 0.000 2.291 325 I HA 0.185 4.355 4.170 -0.000 0.000 0.290 325 I C -2.049 174.083 176.117 0.025 0.000 1.050 325 I CA -1.943 59.386 61.300 0.048 0.000 1.245 325 I CB 0.944 38.986 38.000 0.070 0.000 1.405 325 I HN -0.152 nan 8.210 nan 0.000 0.478 326 P HA 0.092 nan 4.420 nan 0.000 0.272 326 P C 0.568 177.837 177.300 -0.051 0.000 1.223 326 P CA 0.268 63.351 63.100 -0.029 0.000 0.784 326 P CB 0.904 32.574 31.700 -0.049 0.000 0.923 327 G N 0.498 109.269 108.800 -0.049 0.000 2.248 327 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.263 327 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.263 327 G C 0.045 174.897 174.900 -0.080 0.000 1.082 327 G CA 0.251 45.308 45.100 -0.072 0.000 0.863 327 G HN 0.940 nan 8.290 nan 0.000 0.495 328 T N -2.776 111.755 114.554 -0.038 0.000 2.883 328 T HA 0.922 5.272 4.350 -0.000 0.000 0.296 328 T C -0.303 174.419 174.700 0.036 0.000 1.117 328 T CA 0.285 62.361 62.100 -0.040 0.000 1.006 328 T CB 2.844 71.705 68.868 -0.012 0.000 1.191 328 T HN 1.720 nan 8.240 nan 0.000 0.508 329 T N -1.655 112.933 114.554 0.058 0.000 2.868 329 T HA 0.697 5.047 4.350 -0.000 0.000 0.306 329 T C -1.168 173.654 174.700 0.204 0.000 1.224 329 T CA -0.768 61.403 62.100 0.117 0.000 1.012 329 T CB 1.338 70.249 68.868 0.072 0.000 1.221 329 T HN 0.768 nan 8.240 nan 0.000 0.499 330 V N 0.499 120.542 119.914 0.215 0.000 2.715 330 V HA 0.926 5.046 4.120 -0.000 0.000 0.310 330 V C 0.618 176.810 176.094 0.163 0.000 1.054 330 V CA -0.477 61.974 62.300 0.252 0.000 0.928 330 V CB 1.783 33.757 31.823 0.251 0.000 1.007 330 V HN 1.395 nan 8.190 nan 0.000 0.437 331 G N 1.430 110.324 108.800 0.156 0.000 2.662 331 G HA2 0.568 4.528 3.960 -0.000 0.000 0.302 331 G HA3 0.568 4.528 3.960 -0.000 0.000 0.302 331 G C -1.314 173.648 174.900 0.103 0.000 1.389 331 G CA -0.564 44.603 45.100 0.113 0.000 0.998 331 G HN 0.531 nan 8.290 nan 0.000 0.502 332 V N 2.815 122.779 119.914 0.084 0.000 2.387 332 V HA 0.206 4.326 4.120 -0.000 0.000 0.260 332 V C 0.307 176.441 176.094 0.067 0.000 1.054 332 V CA -0.427 61.917 62.300 0.075 0.000 0.967 332 V CB 0.634 32.495 31.823 0.062 0.000 1.036 332 V HN 0.618 nan 8.190 nan 0.000 0.481 333 L N 6.180 127.443 121.223 0.066 0.000 2.326 333 L HA 0.473 4.813 4.340 -0.000 0.000 0.278 333 L C 0.850 177.752 176.870 0.054 0.000 1.092 333 L CA 0.560 55.436 54.840 0.061 0.000 0.810 333 L CB 1.638 43.729 42.059 0.054 0.000 1.153 333 L HN 0.784 nan 8.230 nan 0.000 0.439 334 S N 4.782 120.514 115.700 0.053 0.000 2.585 334 S HA 0.118 4.588 4.470 -0.000 0.000 0.273 334 S C 1.258 175.884 174.600 0.044 0.000 1.339 334 S CA -0.670 57.557 58.200 0.046 0.000 1.028 334 S CB 0.672 63.899 63.200 0.045 0.000 0.906 334 S HN 0.706 nan 8.310 nan 0.000 0.528 335 M N 1.740 121.363 119.600 0.037 0.000 2.346 335 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 335 M C 1.027 177.346 176.300 0.031 0.000 1.064 335 M CA 1.376 56.695 55.300 0.031 0.000 1.083 335 M CB -1.314 31.301 32.600 0.025 0.000 1.399 335 M HN 0.925 nan 8.290 nan 0.000 0.435 336 D N -1.828 118.595 120.400 0.040 0.000 2.402 336 D HA 0.076 4.716 4.640 -0.000 0.000 0.216 336 D C 0.075 176.416 176.300 0.068 0.000 1.128 336 D CA 0.148 54.177 54.000 0.049 0.000 0.833 336 D CB -0.178 40.652 40.800 0.051 0.000 0.971 336 D HN 0.110 nan 8.370 nan 0.000 0.503 337 S N -0.567 115.175 115.700 0.069 0.000 3.587 337 S HA -0.233 4.237 4.470 -0.000 0.000 0.337 337 S C 1.335 175.984 174.600 0.082 0.000 1.119 337 S CA 0.832 59.085 58.200 0.088 0.000 0.976 337 S CB -2.336 60.935 63.200 0.119 0.000 0.922 337 S HN 0.631 nan 8.310 nan 0.000 0.503 338 S N 1.310 117.051 115.700 0.068 0.000 2.436 338 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 338 S C 1.325 175.955 174.600 0.050 0.000 1.014 338 S CA 0.623 58.857 58.200 0.058 0.000 0.950 338 S CB -0.277 62.956 63.200 0.055 0.000 0.784 338 S HN 0.844 nan 8.310 nan 0.000 0.504 339 N N 1.350 120.083 118.700 0.056 0.000 2.251 339 N HA 0.115 4.855 4.740 -0.000 0.000 0.217 339 N C 1.134 176.683 175.510 0.065 0.000 1.124 339 N CA 0.059 53.141 53.050 0.053 0.000 0.843 339 N CB 0.109 38.626 38.487 0.050 0.000 1.024 339 N HN 0.293 nan 8.380 nan 0.000 0.501 340 V N 0.476 120.439 119.914 0.082 0.000 2.490 340 V HA -0.171 3.949 4.120 -0.000 0.000 0.250 340 V C 2.145 178.299 176.094 0.100 0.000 1.061 340 V CA 1.122 63.492 62.300 0.117 0.000 1.064 340 V CB -0.441 31.494 31.823 0.186 0.000 0.670 340 V HN 0.318 nan 8.190 nan 0.000 0.461 341 L N 0.495 121.753 121.223 0.058 0.000 1.955 341 L HA -0.188 4.152 4.340 -0.000 0.000 0.213 341 L C 2.469 179.363 176.870 0.040 0.000 1.072 341 L CA 2.856 57.714 54.840 0.029 0.000 0.755 341 L CB -1.424 40.634 42.059 -0.002 0.000 0.888 341 L HN 0.479 nan 8.230 nan 0.000 0.432 342 Q N -0.404 119.420 119.800 0.039 0.000 2.135 342 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 342 Q C 2.278 178.313 176.000 0.059 0.000 0.981 342 Q CA 2.319 58.148 55.803 0.043 0.000 0.856 342 Q CB -0.742 28.019 28.738 0.039 0.000 0.902 342 Q HN 0.648 nan 8.270 nan 0.000 0.425 343 L N -0.515 120.748 121.223 0.067 0.000 1.971 343 L HA -0.225 4.115 4.340 -0.000 0.000 0.215 343 L C 2.166 179.089 176.870 0.088 0.000 1.072 343 L CA 1.833 56.719 54.840 0.077 0.000 0.758 343 L CB -0.363 41.746 42.059 0.084 0.000 0.889 343 L HN 0.367 nan 8.230 nan 0.000 0.433 344 I N -0.945 119.681 120.570 0.094 0.000 2.151 344 I HA -0.343 3.827 4.170 -0.000 0.000 0.243 344 I C 2.463 178.649 176.117 0.115 0.000 1.080 344 I CA 1.546 62.908 61.300 0.103 0.000 1.339 344 I CB -0.474 37.582 38.000 0.093 0.000 1.039 344 I HN 0.162 nan 8.210 nan 0.000 0.409 345 V N 0.871 120.842 119.914 0.094 0.000 2.287 345 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 345 V C 2.125 178.306 176.094 0.145 0.000 1.053 345 V CA 2.231 64.600 62.300 0.115 0.000 1.027 345 V CB -0.667 31.202 31.823 0.076 0.000 0.646 345 V HN 0.422 nan 8.190 nan 0.000 0.447 346 D N 0.149 120.612 120.400 0.104 0.000 2.117 346 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 346 D C 2.217 178.574 176.300 0.095 0.000 0.987 346 D CA 1.596 55.649 54.000 0.088 0.000 0.829 346 D CB -0.384 40.457 40.800 0.069 0.000 0.961 346 D HN 0.447 nan 8.370 nan 0.000 0.460 347 A N 0.202 123.088 122.820 0.110 0.000 1.902 347 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 347 A C 2.192 179.855 177.584 0.132 0.000 1.181 347 A CA 1.268 53.369 52.037 0.107 0.000 0.623 347 A CB -0.993 18.073 19.000 0.109 0.000 0.818 347 A HN 0.306 nan 8.150 nan 0.000 0.443 348 Y N 0.794 121.116 120.300 0.036 0.000 2.145 348 Y HA -0.060 4.490 4.550 0.000 0.000 0.286 348 Y C 2.502 178.423 175.900 0.036 0.000 1.145 348 Y CA 1.450 59.571 58.100 0.034 0.000 1.148 348 Y CB -0.914 37.571 38.460 0.041 0.000 0.981 348 Y HN 0.217 nan 8.280 nan 0.000 0.507 349 G N -0.215 108.591 108.800 0.010 0.000 2.432 349 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.219 349 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.219 349 G C 1.754 176.611 174.900 -0.071 0.000 1.135 349 G CA 0.979 46.035 45.100 -0.072 0.000 0.767 349 G HN 0.417 nan 8.290 nan 0.000 0.550 350 K N -0.094 120.293 120.400 -0.020 0.000 2.062 350 K HA 0.111 4.431 4.320 -0.000 0.000 0.205 350 K C 2.453 179.034 176.600 -0.032 0.000 1.051 350 K CA 0.520 56.801 56.287 -0.010 0.000 0.941 350 K CB -0.202 32.312 32.500 0.024 0.000 0.719 350 K HN 0.328 nan 8.250 nan 0.000 0.440 351 I N 1.071 121.613 120.570 -0.047 0.000 2.127 351 I HA -0.288 3.882 4.170 -0.000 0.000 0.241 351 I C 2.179 178.238 176.117 -0.098 0.000 1.075 351 I CA 1.190 62.453 61.300 -0.063 0.000 1.334 351 I CB -0.132 37.835 38.000 -0.055 0.000 1.040 351 I HN 0.111 nan 8.210 nan 0.000 0.405 352 R N 0.145 120.530 120.500 -0.193 0.000 2.339 352 R HA -0.014 4.326 4.340 -0.000 0.000 0.199 352 R C 2.257 178.503 176.300 -0.089 0.000 1.018 352 R CA 0.559 56.559 56.100 -0.167 0.000 1.036 352 R CB -0.578 29.523 30.300 -0.332 0.000 0.899 352 R HN 0.327 nan 8.270 nan 0.000 0.473 353 S N 0.606 116.264 115.700 -0.071 0.000 2.383 353 S HA -0.086 4.384 4.470 -0.000 0.000 0.227 353 S C 0.978 175.569 174.600 -0.014 0.000 1.026 353 S CA 0.926 59.105 58.200 -0.036 0.000 0.981 353 S CB 0.238 63.424 63.200 -0.023 0.000 0.818 353 S HN 0.205 nan 8.310 nan 0.000 0.472 354 K N 0.512 120.907 120.400 -0.008 0.000 2.123 354 K HA 0.538 4.858 4.320 -0.000 0.000 0.259 354 K C -1.697 174.923 176.600 0.034 0.000 0.960 354 K CA -0.579 55.715 56.287 0.012 0.000 0.872 354 K CB 1.667 34.171 32.500 0.006 0.000 1.079 354 K HN 0.032 nan 8.250 nan 0.000 0.440 355 V N 3.729 123.681 119.914 0.063 0.000 2.398 355 V HA 0.223 4.343 4.120 -0.000 0.000 0.282 355 V C -0.895 175.258 176.094 0.098 0.000 1.014 355 V CA -0.701 61.660 62.300 0.101 0.000 0.838 355 V CB 1.179 33.086 31.823 0.140 0.000 1.018 355 V HN 0.836 nan 8.190 nan 0.000 0.432 356 E N 4.459 124.662 120.200 0.006 0.000 2.183 356 E HA 0.669 5.019 4.350 -0.000 0.000 0.271 356 E C -1.215 175.269 176.600 -0.193 0.000 0.919 356 E CA -0.694 55.644 56.400 -0.103 0.000 0.781 356 E CB 1.746 31.392 29.700 -0.091 0.000 1.140 356 E HN 0.574 nan 8.360 nan 0.000 0.402 357 L N 3.345 124.333 121.223 -0.392 0.000 2.379 357 L HA 0.413 4.753 4.340 -0.000 0.000 0.269 357 L C -0.017 176.663 176.870 -0.316 0.000 1.084 357 L CA -0.419 54.179 54.840 -0.403 0.000 0.802 357 L CB 1.161 42.817 42.059 -0.671 0.000 1.175 357 L HN 0.641 nan 8.230 nan 0.000 0.448 358 E N 1.117 121.201 120.200 -0.194 0.000 2.292 358 E HA 0.584 4.934 4.350 -0.000 0.000 0.272 358 E C -1.547 175.025 176.600 -0.047 0.000 0.881 358 E CA -0.904 55.415 56.400 -0.134 0.000 0.754 358 E CB 2.204 31.852 29.700 -0.086 0.000 1.201 358 E HN 0.176 nan 8.360 nan 0.000 0.425 359 V N 2.167 122.070 119.914 -0.019 0.000 2.863 359 V HA 0.567 4.687 4.120 -0.000 0.000 0.307 359 V C 0.157 176.292 176.094 0.068 0.000 1.061 359 V CA -0.661 61.683 62.300 0.073 0.000 1.024 359 V CB 1.354 33.224 31.823 0.078 0.000 1.049 359 V HN 0.714 nan 8.190 nan 0.000 0.471 360 R N 1.236 121.809 120.500 0.122 0.000 2.584 360 R HA 0.306 4.646 4.340 -0.000 0.000 0.276 360 R C -1.158 175.226 176.300 0.140 0.000 1.046 360 R CA -0.505 55.656 56.100 0.101 0.000 0.906 360 R CB 1.383 31.734 30.300 0.085 0.000 1.215 360 R HN 0.913 nan 8.270 nan 0.000 0.449 361 D N 2.195 122.655 120.400 0.100 0.000 2.708 361 D HA -0.226 4.414 4.640 -0.000 0.000 0.236 361 D C -0.412 175.979 176.300 0.151 0.000 1.146 361 D CA 0.736 54.803 54.000 0.110 0.000 0.662 361 D CB -0.641 40.224 40.800 0.109 0.000 1.059 361 D HN 0.173 nan 8.370 nan 0.000 0.428 362 L N 0.958 122.241 121.223 0.101 0.000 2.361 362 L HA 0.343 4.683 4.340 -0.000 0.000 0.278 362 L C -1.921 174.985 176.870 0.059 0.000 1.113 362 L CA -1.115 53.750 54.840 0.042 0.000 0.849 362 L CB 0.340 42.350 42.059 -0.082 0.000 1.155 362 L HN -0.227 nan 8.230 nan 0.000 0.452 363 P HA 0.097 nan 4.420 nan 0.000 0.269 363 P C 0.157 177.493 177.300 0.061 0.000 1.209 363 P CA -0.198 62.962 63.100 0.100 0.000 0.776 363 P CB 0.426 32.226 31.700 0.166 0.000 0.876 364 E N 1.274 121.504 120.200 0.049 0.000 2.268 364 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 364 E C 0.530 177.148 176.600 0.030 0.000 0.995 364 E CA 1.150 57.571 56.400 0.036 0.000 0.836 364 E CB -0.253 29.462 29.700 0.026 0.000 0.763 364 E HN 0.428 nan 8.360 nan 0.000 0.491 365 E N 0.768 120.985 120.200 0.028 0.000 2.274 365 E HA 0.083 4.433 4.350 -0.000 0.000 0.194 365 E C 0.393 177.019 176.600 0.043 0.000 0.996 365 E CA 0.445 56.849 56.400 0.006 0.000 0.840 365 E CB 0.111 29.777 29.700 -0.057 0.000 0.772 365 E HN 0.264 nan 8.360 nan 0.000 0.491 366 L N 0.281 121.545 121.223 0.068 0.000 2.375 366 L HA 0.434 4.774 4.340 -0.000 0.000 0.268 366 L C -0.076 176.802 176.870 0.013 0.000 1.058 366 L CA -0.811 54.065 54.840 0.059 0.000 0.803 366 L CB 1.501 43.591 42.059 0.052 0.000 1.212 366 L HN -0.063 nan 8.230 nan 0.000 0.451 367 S N 1.431 117.131 115.700 0.000 0.000 2.543 367 S HA 0.705 5.175 4.470 -0.000 0.000 0.271 367 S C -1.053 173.506 174.600 -0.068 0.000 1.148 367 S CA -0.941 57.257 58.200 -0.003 0.000 0.914 367 S CB 1.254 64.500 63.200 0.077 0.000 1.096 367 S HN 0.427 nan 8.310 nan 0.000 0.471 368 L N 1.697 122.845 121.223 -0.125 0.000 2.332 368 L HA 0.891 5.231 4.340 -0.000 0.000 0.269 368 L C 0.164 176.848 176.870 -0.310 0.000 1.016 368 L CA -0.818 53.855 54.840 -0.279 0.000 0.809 368 L CB 1.919 43.726 42.059 -0.419 0.000 1.280 368 L HN 0.807 nan 8.230 nan 0.000 0.447 369 S N 0.378 115.765 115.700 -0.522 0.000 2.614 369 S HA 0.665 5.135 4.470 -0.000 0.000 0.275 369 S C -1.393 172.905 174.600 -0.503 0.000 1.161 369 S CA -0.469 57.516 58.200 -0.358 0.000 0.969 369 S CB 0.586 63.672 63.200 -0.190 0.000 1.059 369 S HN 0.324 nan 8.310 nan 0.000 0.482 370 F N 3.487 123.382 119.950 -0.092 0.000 2.458 370 F HA 0.566 5.092 4.527 -0.001 0.000 0.336 370 F C 0.314 176.100 175.800 -0.023 0.000 1.114 370 F CA -0.838 57.123 58.000 -0.065 0.000 0.987 370 F CB 1.698 40.651 39.000 -0.079 0.000 1.130 370 F HN 0.419 nan 8.300 nan 0.000 0.458 371 N N 2.085 120.885 118.700 0.166 0.000 2.399 371 N HA 0.616 5.356 4.740 -0.000 0.000 0.280 371 N C -0.957 174.654 175.510 0.167 0.000 1.008 371 N CA -0.572 52.550 53.050 0.119 0.000 0.894 371 N CB 1.969 40.478 38.487 0.037 0.000 1.273 371 N HN 0.668 nan 8.380 nan 0.000 0.486 372 A N 1.281 124.197 122.820 0.160 0.000 2.306 372 A HA 0.735 5.055 4.320 -0.000 0.000 0.314 372 A C -0.279 177.250 177.584 -0.092 0.000 1.164 372 A CA -0.320 51.765 52.037 0.080 0.000 0.822 372 A CB 0.515 19.644 19.000 0.215 0.000 1.130 372 A HN 0.460 nan 8.150 nan 0.000 0.496 373 T N 2.132 116.534 114.554 -0.254 0.000 2.934 373 T HA 0.403 4.753 4.350 -0.000 0.000 0.328 373 T C -0.020 174.539 174.700 -0.236 0.000 1.068 373 T CA -0.385 61.600 62.100 -0.191 0.000 1.018 373 T CB 0.018 68.793 68.868 -0.155 0.000 1.009 373 T HN 0.749 nan 8.240 nan 0.000 0.471 374 c N 2.031 120.534 118.600 -0.162 0.000 1.860 374 c HA 0.556 5.126 4.570 -0.000 0.000 0.305 374 c C 1.068 175.099 174.090 -0.098 0.000 2.992 374 c CA -1.148 55.096 56.329 -0.141 0.000 1.874 374 c CB -0.537 41.918 42.510 -0.091 0.000 2.420 374 c HN 0.714 nan 8.230 nan 0.000 0.313 375 L N 2.141 123.322 121.223 -0.069 0.000 2.554 375 L HA 0.046 4.386 4.340 -0.000 0.000 0.293 375 L C 0.517 177.359 176.870 -0.047 0.000 1.252 375 L CA 0.776 55.585 54.840 -0.052 0.000 0.862 375 L CB -0.387 41.651 42.059 -0.036 0.000 1.113 375 L HN 0.817 nan 8.230 nan 0.000 0.510 376 N N 1.229 119.904 118.700 -0.041 0.000 1.191 376 N HA -0.309 4.431 4.740 -0.000 0.000 0.120 376 N C -0.211 175.272 175.510 -0.045 0.000 0.826 376 N CA 1.719 54.747 53.050 -0.037 0.000 0.876 376 N CB -0.596 37.874 38.487 -0.029 0.000 1.050 376 N HN 0.735 nan 8.380 nan 0.000 0.603 377 N N 0.627 119.303 118.700 -0.040 0.000 2.599 377 N HA 0.167 4.907 4.740 -0.000 0.000 0.309 377 N C -1.280 174.206 175.510 -0.041 0.000 1.743 377 N CA -0.140 52.883 53.050 -0.045 0.000 0.918 377 N CB 0.573 39.038 38.487 -0.037 0.000 1.339 377 N HN 0.428 nan 8.380 nan 0.000 0.493 378 E N 1.339 121.514 120.200 -0.042 0.000 1.791 378 E HA 0.045 4.395 4.350 -0.000 0.000 0.263 378 E C -0.517 176.059 176.600 -0.039 0.000 1.213 378 E CA -0.216 56.164 56.400 -0.034 0.000 0.991 378 E CB 0.285 29.968 29.700 -0.029 0.000 1.068 378 E HN 0.015 nan 8.360 nan 0.000 0.417 379 V N 7.129 127.022 119.914 -0.035 0.000 2.421 379 V HA 0.142 4.262 4.120 -0.000 0.000 0.271 379 V C -0.137 175.947 176.094 -0.017 0.000 1.031 379 V CA 0.061 62.342 62.300 -0.032 0.000 1.032 379 V CB 0.186 31.992 31.823 -0.028 0.000 1.009 379 V HN 0.529 nan 8.190 nan 0.000 0.477 380 I N 9.830 130.394 120.570 -0.010 0.000 2.330 380 I HA 0.385 4.555 4.170 -0.000 0.000 0.286 380 I C -2.252 173.875 176.117 0.017 0.000 1.025 380 I CA -2.063 59.239 61.300 0.003 0.000 1.197 380 I CB 1.682 39.685 38.000 0.006 0.000 1.358 380 I HN 0.473 nan 8.210 nan 0.000 0.467 381 P HA 0.141 nan 4.420 nan 0.000 0.271 381 P C 0.624 177.932 177.300 0.014 0.000 1.216 381 P CA 0.302 63.409 63.100 0.013 0.000 0.776 381 P CB 0.766 32.465 31.700 -0.001 0.000 0.881 382 G N 0.919 109.736 108.800 0.028 0.000 2.212 382 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.255 382 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.255 382 G C -0.679 174.235 174.900 0.024 0.000 1.062 382 G CA -0.252 44.857 45.100 0.015 0.000 0.815 382 G HN 0.561 nan 8.290 nan 0.000 0.497 383 L N -0.703 120.563 121.223 0.073 0.000 2.472 383 L HA 0.800 5.140 4.340 -0.000 0.000 0.260 383 L C 0.018 176.946 176.870 0.097 0.000 0.963 383 L CA -0.647 54.224 54.840 0.053 0.000 0.829 383 L CB 1.634 43.729 42.059 0.059 0.000 1.348 383 L HN 0.260 nan 8.230 nan 0.000 0.408 384 K N 1.369 121.726 120.400 -0.072 0.000 3.123 384 K HA 0.566 4.886 4.320 -0.000 0.000 0.209 384 K C -0.996 175.452 176.600 -0.254 0.000 1.132 384 K CA -0.201 55.897 56.287 -0.315 0.000 0.992 384 K CB 0.645 32.617 32.500 -0.881 0.000 0.773 384 K HN 0.431 nan 8.250 nan 0.000 0.458 385 S N -0.396 115.377 115.700 0.121 0.000 2.592 385 S HA 0.456 4.926 4.470 -0.000 0.000 0.275 385 S C -0.733 173.974 174.600 0.178 0.000 1.169 385 S CA -0.746 57.525 58.200 0.119 0.000 0.958 385 S CB 0.827 64.023 63.200 -0.006 0.000 1.095 385 S HN 0.283 nan 8.310 nan 0.000 0.471 386 c N 4.944 123.654 118.600 0.183 0.000 2.417 386 c HA 0.904 5.474 4.570 -0.000 0.000 0.324 386 c C 0.146 174.263 174.090 0.044 0.000 1.240 386 c CA -0.691 55.684 56.329 0.078 0.000 1.632 386 c CB 0.577 43.100 42.510 0.021 0.000 2.241 386 c HN 1.028 nan 8.230 nan 0.000 0.499 387 M N 1.338 120.949 119.600 0.019 0.000 2.593 387 M HA 0.761 5.241 4.480 -0.000 0.000 0.290 387 M C 0.319 176.619 176.300 -0.000 0.000 1.244 387 M CA 0.044 55.349 55.300 0.009 0.000 0.857 387 M CB 1.803 34.409 32.600 0.010 0.000 1.738 387 M HN 0.958 nan 8.290 nan 0.000 0.461 388 G N 1.448 110.246 108.800 -0.003 0.000 2.140 388 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.211 388 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.211 388 G C -0.712 174.181 174.900 -0.012 0.000 1.013 388 G CA -0.002 45.094 45.100 -0.006 0.000 0.705 388 G HN 0.710 nan 8.290 nan 0.000 0.508 389 L N -1.014 120.200 121.223 -0.015 0.000 2.358 389 L HA 0.744 5.084 4.340 -0.000 0.000 0.268 389 L C 0.615 177.472 176.870 -0.022 0.000 1.032 389 L CA -1.010 53.817 54.840 -0.020 0.000 0.805 389 L CB 1.335 43.381 42.059 -0.022 0.000 1.253 389 L HN -0.036 nan 8.230 nan 0.000 0.452 390 K N 0.875 121.262 120.400 -0.023 0.000 2.318 390 K HA 0.502 4.822 4.320 -0.000 0.000 0.249 390 K C -0.777 175.809 176.600 -0.024 0.000 0.942 390 K CA -0.902 55.373 56.287 -0.021 0.000 0.808 390 K CB 2.493 34.987 32.500 -0.011 0.000 1.189 390 K HN 0.430 nan 8.250 nan 0.000 0.428 391 I N 2.488 123.043 120.570 -0.024 0.000 2.978 391 I HA -0.232 3.938 4.170 -0.000 0.000 0.293 391 I C 1.218 177.331 176.117 -0.005 0.000 1.218 391 I CA 1.435 62.725 61.300 -0.015 0.000 1.393 391 I CB -0.374 37.631 38.000 0.009 0.000 1.394 391 I HN 1.127 nan 8.210 nan 0.000 0.541 392 G N 4.113 112.901 108.800 -0.020 0.000 2.481 392 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.200 392 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.200 392 G C 0.045 174.924 174.900 -0.035 0.000 1.012 392 G CA -0.545 44.542 45.100 -0.023 0.000 0.676 392 G HN 0.529 nan 8.290 nan 0.000 0.488 393 D N 0.888 121.267 120.400 -0.035 0.000 2.390 393 D HA 0.505 5.145 4.640 -0.000 0.000 0.236 393 D C 0.455 176.722 176.300 -0.055 0.000 1.189 393 D CA 1.376 55.351 54.000 -0.041 0.000 0.887 393 D CB 1.171 41.948 40.800 -0.038 0.000 1.198 393 D HN 0.248 nan 8.370 nan 0.000 0.444 394 T N -0.602 113.915 114.554 -0.062 0.000 2.916 394 T HA 0.598 4.948 4.350 -0.000 0.000 0.298 394 T C -0.931 173.710 174.700 -0.100 0.000 1.031 394 T CA -0.671 61.384 62.100 -0.075 0.000 0.993 394 T CB 0.575 69.403 68.868 -0.066 0.000 1.045 394 T HN 0.217 nan 8.240 nan 0.000 0.454 395 V N 1.711 121.546 119.914 -0.132 0.000 3.141 395 V HA 1.031 5.151 4.120 -0.000 0.000 0.312 395 V C -0.464 175.447 176.094 -0.305 0.000 1.157 395 V CA -0.797 61.361 62.300 -0.235 0.000 1.041 395 V CB 1.680 33.319 31.823 -0.306 0.000 1.071 395 V HN 1.126 nan 8.190 nan 0.000 0.441 396 S N 0.606 116.035 115.700 -0.451 0.000 2.570 396 S HA 0.895 5.365 4.470 -0.000 0.000 0.286 396 S C -1.335 172.890 174.600 -0.625 0.000 1.099 396 S CA -0.580 57.397 58.200 -0.372 0.000 0.913 396 S CB 1.718 64.817 63.200 -0.168 0.000 1.085 396 S HN 0.787 nan 8.310 nan 0.000 0.480 397 F N 0.798 120.744 119.950 -0.007 0.000 2.551 397 F HA 0.666 5.193 4.527 0.000 0.000 0.316 397 F C 0.524 176.300 175.800 -0.041 0.000 1.089 397 F CA -0.772 57.231 58.000 0.006 0.000 0.915 397 F CB 2.413 41.449 39.000 0.060 0.000 1.186 397 F HN 0.642 nan 8.300 nan 0.000 0.456 398 S N 3.909 119.675 115.700 0.110 0.000 2.461 398 S HA 0.678 5.148 4.470 -0.000 0.000 0.322 398 S C -0.646 173.854 174.600 -0.167 0.000 1.063 398 S CA -0.435 57.735 58.200 -0.051 0.000 1.120 398 S CB -0.343 62.830 63.200 -0.044 0.000 0.968 398 S HN 0.480 nan 8.310 nan 0.000 0.467 399 I N 3.655 123.958 120.570 -0.445 0.000 2.498 399 I HA 0.549 4.719 4.170 -0.000 0.000 0.301 399 I C 0.174 175.907 176.117 -0.641 0.000 0.984 399 I CA -0.628 60.239 61.300 -0.722 0.000 1.204 399 I CB 1.491 38.930 38.000 -0.936 0.000 1.362 399 I HN 0.495 nan 8.210 nan 0.000 0.471 400 E N 4.744 124.663 120.200 -0.467 0.000 2.343 400 E HA 0.498 4.848 4.350 -0.000 0.000 0.260 400 E C -1.734 174.801 176.600 -0.109 0.000 0.908 400 E CA -0.699 55.589 56.400 -0.186 0.000 0.814 400 E CB 1.965 31.582 29.700 -0.137 0.000 1.302 400 E HN 0.731 nan 8.360 nan 0.000 0.408 401 A N 5.046 127.908 122.820 0.071 0.000 2.260 401 A HA 0.424 4.744 4.320 -0.000 0.000 0.308 401 A C -0.077 177.557 177.584 0.083 0.000 1.254 401 A CA -0.551 51.533 52.037 0.079 0.000 0.874 401 A CB 0.525 19.659 19.000 0.223 0.000 1.153 401 A HN 0.527 nan 8.150 nan 0.000 0.527 402 K N 2.463 122.894 120.400 0.052 0.000 2.123 402 K HA 0.638 4.957 4.320 -0.000 0.000 0.259 402 K C -1.120 175.537 176.600 0.095 0.000 0.960 402 K CA -0.472 55.858 56.287 0.071 0.000 0.872 402 K CB 1.657 34.189 32.500 0.053 0.000 1.079 402 K HN 0.490 nan 8.250 nan 0.000 0.440 403 V N 3.263 123.245 119.914 0.113 0.000 2.769 403 V HA 0.492 4.612 4.120 -0.000 0.000 0.312 403 V C -1.018 175.107 176.094 0.051 0.000 1.058 403 V CA -0.900 61.469 62.300 0.116 0.000 0.952 403 V CB 1.693 33.637 31.823 0.203 0.000 1.019 403 V HN 0.881 nan 8.190 nan 0.000 0.445 404 R N 3.980 124.486 120.500 0.010 0.000 2.288 404 R HA 0.618 4.958 4.340 -0.000 0.000 0.326 404 R C 0.453 176.723 176.300 -0.050 0.000 0.959 404 R CA 0.766 56.862 56.100 -0.007 0.000 0.834 404 R CB 0.671 30.971 30.300 0.001 0.000 1.157 404 R HN 1.412 nan 8.270 nan 0.000 0.470 405 G N 2.414 111.190 108.800 -0.040 0.000 2.528 405 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.262 405 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.262 405 G C -0.924 173.912 174.900 -0.105 0.000 1.200 405 G CA -0.004 45.060 45.100 -0.061 0.000 0.951 405 G HN 0.864 nan 8.290 nan 0.000 0.566 406 c N 2.568 121.082 118.600 -0.144 0.000 2.571 406 c HA 0.704 5.274 4.570 -0.000 0.000 0.343 406 c C -2.126 171.802 174.090 -0.270 0.000 1.082 406 c CA -0.940 55.260 56.329 -0.215 0.000 1.339 406 c CB 0.126 42.570 42.510 -0.110 0.000 1.893 406 c HN 0.789 nan 8.230 nan 0.000 0.445 407 P HA 0.217 nan 4.420 nan 0.000 0.269 407 P C 0.641 177.821 177.300 -0.199 0.000 1.215 407 P CA 0.041 62.926 63.100 -0.358 0.000 0.780 407 P CB 0.678 32.049 31.700 -0.549 0.000 0.898 408 Q N 0.329 120.066 119.800 -0.104 0.000 2.046 408 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 408 Q C 0.546 176.545 176.000 -0.002 0.000 0.975 408 Q CA 0.984 56.761 55.803 -0.044 0.000 0.836 408 Q CB -0.019 28.701 28.738 -0.030 0.000 0.896 408 Q HN 0.592 nan 8.270 nan 0.000 0.428 409 E N 1.306 121.513 120.200 0.013 0.000 2.406 409 E HA -0.082 4.268 4.350 -0.000 0.000 0.258 409 E C 0.155 176.858 176.600 0.172 0.000 1.043 409 E CA 0.045 56.489 56.400 0.074 0.000 0.929 409 E CB 0.521 30.270 29.700 0.081 0.000 0.969 409 E HN 0.090 nan 8.360 nan 0.000 0.462 410 K N 3.017 123.515 120.400 0.164 0.000 2.228 410 K HA 0.021 4.341 4.320 -0.000 0.000 0.202 410 K C -0.108 176.620 176.600 0.212 0.000 1.051 410 K CA 0.695 57.117 56.287 0.227 0.000 0.960 410 K CB 0.336 32.901 32.500 0.108 0.000 0.743 410 K HN 0.434 nan 8.250 nan 0.000 0.458 411 E N 1.337 121.615 120.200 0.130 0.000 2.216 411 E HA 0.292 4.642 4.350 -0.000 0.000 0.260 411 E C -0.975 175.660 176.600 0.058 0.000 0.880 411 E CA -0.269 56.145 56.400 0.025 0.000 0.765 411 E CB 2.044 31.739 29.700 -0.008 0.000 1.174 411 E HN 0.037 nan 8.360 nan 0.000 0.417 412 K N 0.599 121.013 120.400 0.022 0.000 2.433 412 K HA 0.685 5.005 4.320 -0.000 0.000 0.252 412 K C -0.758 175.840 176.600 -0.003 0.000 1.015 412 K CA -0.917 55.416 56.287 0.076 0.000 0.860 412 K CB 2.108 34.741 32.500 0.221 0.000 1.359 412 K HN 0.536 nan 8.250 nan 0.000 0.452 413 S N 0.334 116.056 115.700 0.037 0.000 2.548 413 S HA 0.623 5.093 4.470 -0.000 0.000 0.278 413 S C -0.998 173.631 174.600 0.048 0.000 1.150 413 S CA -1.073 57.092 58.200 -0.059 0.000 0.907 413 S CB 0.353 63.483 63.200 -0.118 0.000 1.108 413 S HN 0.574 nan 8.310 nan 0.000 0.459 414 F N -0.332 119.626 119.950 0.014 0.000 2.712 414 F HA 0.974 5.502 4.527 0.001 0.000 0.367 414 F C -0.585 175.238 175.800 0.037 0.000 1.132 414 F CA -0.974 57.048 58.000 0.036 0.000 1.066 414 F CB 1.100 40.136 39.000 0.060 0.000 1.416 414 F HN 0.500 nan 8.300 nan 0.000 0.515 415 T N 2.948 117.706 114.554 0.340 0.000 2.881 415 T HA 0.495 4.845 4.350 -0.000 0.000 0.291 415 T C -0.808 174.072 174.700 0.300 0.000 0.990 415 T CA -0.392 61.825 62.100 0.196 0.000 0.976 415 T CB 1.254 70.186 68.868 0.106 0.000 0.970 415 T HN 0.397 nan 8.240 nan 0.000 0.438 416 I N 3.240 123.980 120.570 0.283 0.000 2.396 416 I HA 0.558 4.728 4.170 -0.000 0.000 0.292 416 I C 0.261 176.454 176.117 0.126 0.000 0.999 416 I CA -0.523 60.923 61.300 0.244 0.000 1.310 416 I CB 1.249 39.440 38.000 0.319 0.000 1.404 416 I HN 0.613 nan 8.210 nan 0.000 0.496 417 K N 7.725 128.163 120.400 0.064 0.000 2.557 417 K HA 0.463 4.782 4.320 -0.000 0.000 0.257 417 K C -3.002 173.595 176.600 -0.006 0.000 0.933 417 K CA -1.253 55.057 56.287 0.038 0.000 0.820 417 K CB 3.083 35.609 32.500 0.044 0.000 1.330 417 K HN 0.196 nan 8.250 nan 0.000 0.432 418 P HA 0.090 nan 4.420 nan 0.000 0.280 418 P C -0.260 177.076 177.300 0.061 0.000 1.244 418 P CA -0.460 62.656 63.100 0.027 0.000 0.784 418 P CB 1.134 32.884 31.700 0.083 0.000 0.913 419 V N 3.191 123.110 119.914 0.008 0.000 2.540 419 V HA 0.275 4.395 4.120 -0.000 0.000 0.297 419 V C 1.735 177.808 176.094 -0.034 0.000 1.024 419 V CA 1.618 63.904 62.300 -0.023 0.000 1.105 419 V CB -0.540 31.249 31.823 -0.057 0.000 0.938 419 V HN 1.057 nan 8.190 nan 0.000 0.482 420 G N 3.925 112.669 108.800 -0.093 0.000 2.132 420 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.234 420 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.234 420 G C -0.446 174.191 174.900 -0.440 0.000 0.989 420 G CA -0.161 44.792 45.100 -0.245 0.000 0.676 420 G HN 0.515 nan 8.290 nan 0.000 0.522 421 F N -1.006 118.922 119.950 -0.036 0.000 2.578 421 F HA 0.565 5.092 4.527 -0.000 0.000 0.311 421 F C 1.022 176.820 175.800 -0.003 0.000 1.094 421 F CA -0.783 57.196 58.000 -0.034 0.000 0.923 421 F CB 1.777 40.734 39.000 -0.071 0.000 1.230 421 F HN -0.086 nan 8.300 nan 0.000 0.450 422 K N 0.405 120.963 120.400 0.264 0.000 2.148 422 K HA -0.062 4.257 4.320 -0.000 0.000 0.204 422 K C -0.290 176.384 176.600 0.124 0.000 1.050 422 K CA 0.977 57.365 56.287 0.167 0.000 0.942 422 K CB -0.013 32.595 32.500 0.180 0.000 0.724 422 K HN 0.579 nan 8.250 nan 0.000 0.446 423 D N 0.909 121.380 120.400 0.118 0.000 2.400 423 D HA 0.050 4.690 4.640 -0.000 0.000 0.238 423 D C -0.320 176.009 176.300 0.048 0.000 1.157 423 D CA 0.505 54.534 54.000 0.049 0.000 0.889 423 D CB 1.228 42.013 40.800 -0.025 0.000 1.199 423 D HN 0.300 nan 8.370 nan 0.000 0.436 424 S N 0.051 115.771 115.700 0.034 0.000 2.565 424 S HA 0.418 4.888 4.470 -0.000 0.000 0.274 424 S C -1.549 173.072 174.600 0.034 0.000 1.144 424 S CA -1.126 57.099 58.200 0.041 0.000 0.849 424 S CB 0.919 64.146 63.200 0.045 0.000 1.103 424 S HN 0.297 nan 8.310 nan 0.000 0.455 425 L N 2.596 123.851 121.223 0.055 0.000 2.264 425 L HA 0.630 4.970 4.340 -0.000 0.000 0.287 425 L C -0.908 175.966 176.870 0.007 0.000 1.039 425 L CA -0.721 54.148 54.840 0.048 0.000 0.829 425 L CB -0.080 42.050 42.059 0.119 0.000 1.211 425 L HN 0.770 nan 8.230 nan 0.000 0.427 426 I N 5.199 125.732 120.570 -0.061 0.000 2.519 426 I HA 0.274 4.444 4.170 -0.000 0.000 0.287 426 I C -0.390 175.555 176.117 -0.287 0.000 1.047 426 I CA -0.587 60.623 61.300 -0.150 0.000 1.381 426 I CB 1.406 39.334 38.000 -0.121 0.000 1.417 426 I HN 0.263 nan 8.210 nan 0.000 0.540 427 V N 6.173 125.761 119.914 -0.544 0.000 2.325 427 V HA 0.203 4.323 4.120 -0.000 0.000 0.280 427 V C -0.242 175.475 176.094 -0.628 0.000 1.016 427 V CA -0.697 61.172 62.300 -0.718 0.000 0.818 427 V CB 1.106 32.231 31.823 -1.164 0.000 1.019 427 V HN 0.687 nan 8.190 nan 0.000 0.434 428 Q N 3.370 122.934 119.800 -0.393 0.000 2.323 428 Q HA 0.417 4.756 4.340 -0.000 0.000 0.257 428 Q C -0.576 175.243 176.000 -0.302 0.000 1.022 428 Q CA -0.217 55.412 55.803 -0.291 0.000 0.919 428 Q CB 1.794 30.406 28.738 -0.209 0.000 1.220 428 Q HN 0.573 nan 8.270 nan 0.000 0.427 429 V N 3.078 122.814 119.914 -0.297 0.000 2.439 429 V HA 0.325 4.445 4.120 -0.000 0.000 0.282 429 V C 0.147 175.921 176.094 -0.532 0.000 1.039 429 V CA -0.312 61.756 62.300 -0.387 0.000 0.913 429 V CB 1.788 33.403 31.823 -0.346 0.000 0.983 429 V HN 0.720 nan 8.190 nan 0.000 0.460 430 T N 5.394 119.620 114.554 -0.546 0.000 2.824 430 T HA 0.619 4.969 4.350 -0.000 0.000 0.282 430 T C -0.852 173.542 174.700 -0.510 0.000 0.993 430 T CA -0.138 61.685 62.100 -0.462 0.000 0.967 430 T CB 0.780 69.513 68.868 -0.226 0.000 0.960 430 T HN 0.280 nan 8.240 nan 0.000 0.441 431 F N 2.238 122.179 119.950 -0.017 0.000 2.388 431 F HA 0.401 4.929 4.527 0.001 0.000 0.358 431 F C 0.528 176.313 175.800 -0.025 0.000 1.122 431 F CA -1.405 56.585 58.000 -0.016 0.000 1.056 431 F CB 0.979 39.974 39.000 -0.007 0.000 1.155 431 F HN 0.401 nan 8.300 nan 0.000 0.461 432 D N 2.673 123.146 120.400 0.123 0.000 2.485 432 D HA 0.360 5.000 4.640 -0.000 0.000 0.229 432 D C -0.126 176.196 176.300 0.037 0.000 1.101 432 D CA -0.170 53.859 54.000 0.047 0.000 0.906 432 D CB 0.462 41.260 40.800 -0.004 0.000 1.019 432 D HN 0.570 nan 8.370 nan 0.000 0.516 433 c N 1.965 120.585 118.600 0.032 0.000 3.364 433 c HA 0.283 4.853 4.570 -0.000 0.000 0.340 433 c C 0.303 174.377 174.090 -0.027 0.000 1.336 433 c CA -0.484 55.846 56.329 0.002 0.000 1.778 433 c CB -0.265 42.245 42.510 -0.000 0.000 2.398 433 c HN 0.474 nan 8.230 nan 0.000 0.667 434 D N 0.653 121.039 120.400 -0.024 0.000 2.253 434 D HA 0.333 4.973 4.640 -0.000 0.000 0.249 434 D C -0.351 175.920 176.300 -0.047 0.000 1.049 434 D CA 0.089 54.062 54.000 -0.045 0.000 0.929 434 D CB 0.971 41.751 40.800 -0.033 0.000 1.176 434 D HN 0.249 nan 8.370 nan 0.000 0.437 435 c N 0.805 119.363 118.600 -0.071 0.000 2.405 435 c HA 0.498 5.068 4.570 -0.000 0.000 0.365 435 c C 1.923 175.994 174.090 -0.032 0.000 1.233 435 c CA -0.558 55.737 56.329 -0.056 0.000 2.230 435 c CB 0.770 43.215 42.510 -0.108 0.000 2.443 435 c HN 0.779 nan 8.230 nan 0.000 0.556 436 A N 1.000 123.817 122.820 -0.005 0.000 1.972 436 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 436 A C 1.967 179.553 177.584 0.003 0.000 1.169 436 A CA 2.170 54.209 52.037 0.003 0.000 0.635 436 A CB -0.846 18.164 19.000 0.017 0.000 0.810 436 A HN 1.112 nan 8.150 nan 0.000 0.446 437 c N -1.371 117.232 118.600 0.005 0.000 2.456 437 c HA 0.022 4.592 4.570 -0.000 0.000 0.279 437 c C 2.330 176.405 174.090 -0.024 0.000 1.427 437 c CA 0.571 56.903 56.329 0.004 0.000 1.778 437 c CB -1.700 40.826 42.510 0.027 0.000 1.842 437 c HN 0.637 nan 8.230 nan 0.000 0.531 438 Q N 1.644 121.418 119.800 -0.044 0.000 2.170 438 Q HA -0.052 4.288 4.340 -0.000 0.000 0.203 438 Q C 2.607 178.590 176.000 -0.028 0.000 0.976 438 Q CA 1.654 57.425 55.803 -0.053 0.000 0.858 438 Q CB -0.274 28.423 28.738 -0.067 0.000 0.907 438 Q HN 0.852 nan 8.270 nan 0.000 0.433 439 A N 0.718 123.529 122.820 -0.015 0.000 2.015 439 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 439 A C 1.307 178.894 177.584 0.005 0.000 1.163 439 A CA 1.092 53.127 52.037 -0.004 0.000 0.646 439 A CB 0.012 19.012 19.000 -0.000 0.000 0.806 439 A HN 0.218 nan 8.150 nan 0.000 0.448 440 Q N -0.074 119.731 119.800 0.009 0.000 2.268 440 Q HA 0.597 4.937 4.340 -0.000 0.000 0.289 440 Q C 0.181 176.198 176.000 0.028 0.000 0.893 440 Q CA 0.361 56.179 55.803 0.024 0.000 1.057 440 Q CB 0.351 29.110 28.738 0.034 0.000 1.173 440 Q HN 0.560 nan 8.270 nan 0.000 0.449 441 A N 0.789 123.616 122.820 0.012 0.000 2.327 441 A HA 0.467 4.786 4.320 -0.000 0.000 0.255 441 A C -0.171 177.440 177.584 0.043 0.000 1.099 441 A CA -0.247 51.796 52.037 0.010 0.000 0.801 441 A CB 0.516 19.506 19.000 -0.015 0.000 1.062 441 A HN 0.258 nan 8.150 nan 0.000 0.496 442 E N 0.261 120.501 120.200 0.066 0.000 2.580 442 E HA 0.383 4.733 4.350 -0.000 0.000 0.248 442 E C -2.778 173.855 176.600 0.054 0.000 1.018 442 E CA -1.805 54.639 56.400 0.075 0.000 0.775 442 E CB 1.422 31.196 29.700 0.124 0.000 1.378 442 E HN 0.443 nan 8.360 nan 0.000 0.401 443 P HA 0.203 nan 4.420 nan 0.000 0.277 443 P C -0.652 176.651 177.300 0.005 0.000 1.240 443 P CA -0.269 62.841 63.100 0.017 0.000 0.798 443 P CB 0.633 32.340 31.700 0.011 0.000 0.979 444 N N -1.834 116.863 118.700 -0.005 0.000 2.716 444 N HA -0.163 4.577 4.740 -0.000 0.000 0.250 444 N C 0.028 175.519 175.510 -0.031 0.000 1.033 444 N CA 0.863 53.900 53.050 -0.022 0.000 0.727 444 N CB -1.854 36.625 38.487 -0.013 0.000 0.950 444 N HN 0.448 nan 8.380 nan 0.000 0.541 445 S N -0.699 114.969 115.700 -0.054 0.000 2.592 445 S HA 0.167 4.637 4.470 -0.000 0.000 0.271 445 S C 1.669 176.168 174.600 -0.167 0.000 1.326 445 S CA -0.093 58.020 58.200 -0.145 0.000 1.024 445 S CB 0.638 63.727 63.200 -0.185 0.000 0.921 445 S HN 0.518 nan 8.310 nan 0.000 0.527 446 H N 3.012 122.037 119.070 -0.075 0.000 2.491 446 H HA 0.154 4.710 4.556 0.000 0.000 0.290 446 H C 1.771 177.029 175.328 -0.116 0.000 1.050 446 H CA 1.127 57.121 56.048 -0.089 0.000 1.309 446 H CB -0.144 29.570 29.762 -0.081 0.000 1.392 446 H HN 0.553 nan 8.280 nan 0.000 0.554 447 R N 0.040 120.295 120.500 -0.407 0.000 2.193 447 R HA 0.115 4.455 4.340 -0.000 0.000 0.213 447 R C 0.154 176.357 176.300 -0.161 0.000 1.055 447 R CA 0.881 56.796 56.100 -0.308 0.000 0.995 447 R CB 0.166 30.069 30.300 -0.662 0.000 0.893 447 R HN 0.298 nan 8.270 nan 0.000 0.459 448 c N 2.480 121.005 118.600 -0.125 0.000 2.478 448 c HA 0.263 4.833 4.570 -0.000 0.000 0.471 448 c C -0.003 174.023 174.090 -0.108 0.000 1.146 448 c CA -1.181 55.111 56.329 -0.061 0.000 1.532 448 c CB -1.724 40.779 42.510 -0.011 0.000 1.622 448 c HN 0.548 nan 8.230 nan 0.000 0.568 449 N N 2.846 121.485 118.700 -0.102 0.000 2.708 449 N HA -0.207 4.533 4.740 -0.000 0.000 0.255 449 N C -0.229 175.174 175.510 -0.177 0.000 1.046 449 N CA 0.830 53.794 53.050 -0.143 0.000 0.715 449 N CB -1.448 36.910 38.487 -0.214 0.000 0.895 449 N HN 0.696 nan 8.380 nan 0.000 0.545 450 N N -0.243 118.393 118.700 -0.106 0.000 2.714 450 N HA -0.140 4.600 4.740 -0.000 0.000 0.252 450 N C 0.735 176.171 175.510 -0.123 0.000 1.014 450 N CA 2.285 55.282 53.050 -0.088 0.000 0.735 450 N CB -1.602 36.835 38.487 -0.083 0.000 0.924 450 N HN 1.380 nan 8.380 nan 0.000 0.540 451 G N -0.440 108.287 108.800 -0.121 0.000 2.303 451 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 451 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 451 G C 0.133 174.925 174.900 -0.179 0.000 1.106 451 G CA 0.018 45.049 45.100 -0.115 0.000 0.900 451 G HN 0.510 nan 8.290 nan 0.000 0.495 452 N N 0.501 119.061 118.700 -0.233 0.000 2.338 452 N HA 0.459 5.199 4.740 -0.000 0.000 0.251 452 N C 0.715 176.160 175.510 -0.108 0.000 1.199 452 N CA 0.837 53.705 53.050 -0.303 0.000 0.879 452 N CB 1.210 39.280 38.487 -0.696 0.000 1.159 452 N HN 1.261 nan 8.380 nan 0.000 0.514 453 G N -0.721 108.048 108.800 -0.051 0.000 2.361 453 G HA2 0.104 4.064 3.960 -0.000 0.000 0.299 453 G HA3 0.104 4.064 3.960 -0.000 0.000 0.299 453 G C -1.319 173.595 174.900 0.023 0.000 1.544 453 G CA -0.579 44.527 45.100 0.010 0.000 0.860 453 G HN -0.087 nan 8.290 nan 0.000 0.610 454 T N 0.969 115.545 114.554 0.037 0.000 2.771 454 T HA 0.454 4.804 4.350 -0.000 0.000 0.291 454 T C -0.724 174.029 174.700 0.088 0.000 0.954 454 T CA 0.003 62.131 62.100 0.047 0.000 1.045 454 T CB 1.092 69.970 68.868 0.016 0.000 0.917 454 T HN 0.474 nan 8.240 nan 0.000 0.484 455 F N 5.072 124.996 119.950 -0.044 0.000 2.335 455 F HA 0.344 4.871 4.527 0.000 0.000 0.365 455 F C 0.405 176.198 175.800 -0.012 0.000 1.122 455 F CA -0.917 57.063 58.000 -0.033 0.000 1.151 455 F CB 0.169 39.126 39.000 -0.072 0.000 1.282 455 F HN 0.596 nan 8.300 nan 0.000 0.513 456 E N 3.693 123.660 120.200 -0.388 0.000 2.272 456 E HA 0.434 4.784 4.350 -0.000 0.000 0.269 456 E C -0.326 176.068 176.600 -0.344 0.000 0.877 456 E CA -1.065 55.152 56.400 -0.305 0.000 0.755 456 E CB 1.145 30.756 29.700 -0.149 0.000 1.192 456 E HN 0.631 nan 8.360 nan 0.000 0.422 457 c N 3.030 121.493 118.600 -0.227 0.000 4.365 457 c HA -0.059 4.511 4.570 -0.000 0.000 0.299 457 c C 1.356 175.451 174.090 0.010 0.000 1.409 457 c CA 0.719 57.047 56.329 -0.002 0.000 2.007 457 c CB -2.407 40.173 42.510 0.118 0.000 1.264 457 c HN 1.517 nan 8.230 nan 0.000 0.777 458 G N -1.751 106.818 108.800 -0.384 0.000 2.198 458 G HA2 0.075 4.035 3.960 -0.000 0.000 0.257 458 G HA3 0.075 4.035 3.960 -0.000 0.000 0.257 458 G C -0.251 174.535 174.900 -0.190 0.000 1.042 458 G CA 0.576 45.518 45.100 -0.263 0.000 0.791 458 G HN 2.113 nan 8.290 nan 0.000 0.502 459 V N -0.826 118.826 119.914 -0.435 0.000 3.000 459 V HA 0.560 4.680 4.120 -0.000 0.000 0.300 459 V C -0.065 175.992 176.094 -0.062 0.000 1.251 459 V CA -0.553 61.711 62.300 -0.059 0.000 0.972 459 V CB 1.786 33.693 31.823 0.140 0.000 1.065 459 V HN 0.606 nan 8.190 nan 0.000 0.431 460 c N 6.609 125.298 118.600 0.148 0.000 2.499 460 c HA 0.534 5.104 4.570 -0.000 0.000 0.386 460 c C 0.507 174.646 174.090 0.082 0.000 1.293 460 c CA -0.661 55.765 56.329 0.162 0.000 1.884 460 c CB -0.218 42.398 42.510 0.178 0.000 2.509 460 c HN 0.718 nan 8.230 nan 0.000 0.566 461 R N 2.997 123.527 120.500 0.051 0.000 2.391 461 R HA 0.214 4.554 4.340 -0.000 0.000 0.310 461 R C -0.425 175.906 176.300 0.052 0.000 1.174 461 R CA -0.109 56.011 56.100 0.033 0.000 1.118 461 R CB 0.292 30.591 30.300 -0.001 0.000 1.134 461 R HN 0.760 nan 8.270 nan 0.000 0.524 462 c N 1.569 120.214 118.600 0.074 0.000 2.662 462 c HA 0.268 4.838 4.570 -0.000 0.000 0.420 462 c C 1.777 175.937 174.090 0.117 0.000 1.314 462 c CA -0.434 55.957 56.329 0.104 0.000 1.963 462 c CB 0.234 42.832 42.510 0.147 0.000 2.686 462 c HN 0.806 nan 8.230 nan 0.000 0.609 463 G N 2.822 111.708 108.800 0.144 0.000 2.588 463 G HA2 0.459 4.419 3.960 -0.000 0.000 0.278 463 G HA3 0.459 4.419 3.960 -0.000 0.000 0.278 463 G C -2.649 172.382 174.900 0.218 0.000 1.307 463 G CA -0.625 44.571 45.100 0.160 0.000 1.016 463 G HN 0.580 nan 8.290 nan 0.000 0.503 464 P HA 0.234 nan 4.420 nan 0.000 0.263 464 P C 0.873 178.235 177.300 0.103 0.000 1.195 464 P CA 1.416 64.589 63.100 0.121 0.000 0.762 464 P CB 0.906 32.658 31.700 0.086 0.000 0.799 465 G N 1.771 110.557 108.800 -0.023 0.000 2.475 465 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.209 465 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.209 465 G C -0.384 174.354 174.900 -0.269 0.000 1.127 465 G CA -0.628 44.306 45.100 -0.276 0.000 0.681 465 G HN 0.406 nan 8.290 nan 0.000 0.517 466 W N 1.205 122.517 121.300 0.019 0.000 2.381 466 W HA 0.772 5.432 4.660 0.000 0.000 0.329 466 W C 0.354 176.887 176.519 0.023 0.000 1.157 466 W CA -0.170 57.187 57.345 0.021 0.000 1.240 466 W CB 0.928 30.401 29.460 0.022 0.000 1.199 466 W HN 0.211 nan 8.180 nan 0.000 0.579 467 L N 1.052 122.418 121.223 0.237 0.000 2.397 467 L HA 0.904 5.244 4.340 -0.000 0.000 0.251 467 L C 0.440 177.392 176.870 0.137 0.000 1.064 467 L CA -0.869 54.059 54.840 0.147 0.000 0.859 467 L CB 1.962 44.072 42.059 0.085 0.000 1.468 467 L HN 0.636 nan 8.230 nan 0.000 0.411 468 G N -0.083 108.776 108.800 0.099 0.000 2.434 468 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.671 468 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.671 468 G C 0.311 175.260 174.900 0.082 0.000 1.280 468 G CA -0.024 45.127 45.100 0.085 0.000 0.975 468 G HN 0.856 nan 8.290 nan 0.000 0.510 469 S N -1.135 114.609 115.700 0.072 0.000 2.368 469 S HA -0.044 4.426 4.470 -0.000 0.000 0.224 469 S C 1.444 176.098 174.600 0.089 0.000 1.029 469 S CA 1.989 60.234 58.200 0.076 0.000 0.988 469 S CB -0.082 63.156 63.200 0.064 0.000 0.838 469 S HN 0.753 nan 8.310 nan 0.000 0.462 470 Q N -0.307 119.537 119.800 0.074 0.000 2.165 470 Q HA 0.384 4.724 4.340 -0.000 0.000 0.245 470 Q C -0.683 175.344 176.000 0.045 0.000 0.841 470 Q CA -0.268 55.571 55.803 0.060 0.000 1.078 470 Q CB 0.347 29.105 28.738 0.032 0.000 1.169 470 Q HN 0.623 nan 8.270 nan 0.000 0.475 471 c N 1.217 119.864 118.600 0.078 0.000 4.300 471 c HA -0.152 4.418 4.570 -0.000 0.000 0.304 471 c C 1.327 175.491 174.090 0.123 0.000 1.367 471 c CA 0.508 56.903 56.329 0.110 0.000 2.032 471 c CB -2.308 40.229 42.510 0.045 0.000 1.285 471 c HN 0.634 nan 8.230 nan 0.000 0.737 472 E N 0.617 120.898 120.200 0.135 0.000 2.004 472 E HA -0.028 4.322 4.350 -0.000 0.000 0.192 472 E C 1.568 178.317 176.600 0.248 0.000 0.987 472 E CA 1.407 57.890 56.400 0.138 0.000 0.822 472 E CB -0.085 29.671 29.700 0.094 0.000 0.779 472 E HN 0.911 nan 8.360 nan 0.000 0.458 473 c N -0.291 118.429 118.600 0.200 0.000 2.657 473 c HA 0.485 5.054 4.570 -0.000 0.000 0.404 473 c C 1.821 176.012 174.090 0.168 0.000 1.291 473 c CA -0.370 56.059 56.329 0.168 0.000 2.218 473 c CB 1.115 43.677 42.510 0.087 0.000 2.687 473 c HN 0.317 nan 8.230 nan 0.000 0.634 474 S N -0.094 115.609 115.700 0.006 0.000 2.510 474 S HA 0.100 4.570 4.470 -0.000 0.000 0.230 474 S C 1.342 175.822 174.600 -0.200 0.000 1.066 474 S CA 1.285 59.297 58.200 -0.314 0.000 0.941 474 S CB -0.069 62.850 63.200 -0.469 0.000 0.829 474 S HN 0.956 nan 8.310 nan 0.000 0.530 475 E N -0.045 120.092 120.200 -0.105 0.000 3.875 475 E HA 0.312 4.662 4.350 -0.000 0.000 0.239 475 E C -0.653 175.931 176.600 -0.027 0.000 1.293 475 E CA 0.499 56.856 56.400 -0.071 0.000 1.646 475 E CB -0.258 29.390 29.700 -0.086 0.000 1.954 475 E HN 0.387 nan 8.360 nan 0.000 0.686 484 D N 0.397 120.817 120.400 0.032 0.000 2.615 484 D HA 0.197 4.837 4.640 -0.000 0.000 0.267 484 D C -0.961 175.368 176.300 0.049 0.000 1.236 484 D CA -0.591 53.432 54.000 0.038 0.000 0.839 484 D CB 1.607 42.430 40.800 0.039 0.000 1.380 484 D HN 0.164 nan 8.370 nan 0.000 0.433 485 E N 0.175 120.410 120.200 0.059 0.000 2.238 485 E HA 0.154 4.504 4.350 -0.000 0.000 0.264 485 E C -0.146 176.539 176.600 0.142 0.000 1.136 485 E CA 0.286 56.733 56.400 0.078 0.000 0.929 485 E CB 0.066 29.812 29.700 0.076 0.000 1.010 485 E HN 0.216 nan 8.360 nan 0.000 0.440 486 c N 3.727 122.405 118.600 0.131 0.000 2.404 486 c HA 0.340 4.910 4.570 -0.000 0.000 0.325 486 c C -0.183 174.035 174.090 0.214 0.000 1.363 486 c CA -0.160 56.297 56.329 0.214 0.000 1.775 486 c CB -1.898 40.687 42.510 0.124 0.000 2.254 486 c HN 0.681 nan 8.230 nan 0.000 0.568 487 S N -1.691 114.021 115.700 0.020 0.000 2.565 487 S HA 0.414 4.884 4.470 -0.000 0.000 0.274 487 S C -2.720 171.570 174.600 -0.517 0.000 1.144 487 S CA -0.702 57.231 58.200 -0.444 0.000 0.849 487 S CB 1.259 64.331 63.200 -0.214 0.000 1.103 487 S HN -0.101 nan 8.310 nan 0.000 0.455 488 P HA 0.031 nan 4.420 nan 0.000 0.214 488 P C 0.244 177.443 177.300 -0.168 0.000 1.163 488 P CA 1.216 64.096 63.100 -0.368 0.000 0.883 488 P CB 0.090 31.599 31.700 -0.319 0.000 0.788 489 R N -1.216 119.193 120.500 -0.153 0.000 2.875 489 R HA 0.309 4.649 4.340 -0.000 0.000 0.251 489 R C 1.267 177.523 176.300 -0.072 0.000 1.123 489 R CA -0.613 55.436 56.100 -0.086 0.000 1.064 489 R CB 0.684 30.942 30.300 -0.070 0.000 1.205 489 R HN -0.026 nan 8.270 nan 0.000 0.503 490 E N 0.087 120.260 120.200 -0.045 0.000 2.230 490 E HA -0.025 4.325 4.350 -0.000 0.000 0.192 490 E C 1.595 178.176 176.600 -0.032 0.000 0.987 490 E CA 0.808 57.189 56.400 -0.033 0.000 0.841 490 E CB 0.179 29.866 29.700 -0.020 0.000 0.783 490 E HN 0.829 nan 8.360 nan 0.000 0.481 491 G N 0.859 109.638 108.800 -0.035 0.000 2.494 491 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.216 491 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.216 491 G C 0.777 175.655 174.900 -0.037 0.000 1.140 491 G CA -0.115 44.967 45.100 -0.030 0.000 0.801 491 G HN 0.099 nan 8.290 nan 0.000 0.536 492 Q N 0.865 120.633 119.800 -0.054 0.000 2.417 492 Q HA 0.257 4.597 4.340 -0.000 0.000 0.241 492 Q C -1.959 174.005 176.000 -0.059 0.000 1.008 492 Q CA -1.547 54.217 55.803 -0.065 0.000 0.901 492 Q CB 0.801 29.479 28.738 -0.100 0.000 1.259 492 Q HN 0.192 nan 8.270 nan 0.000 0.489 493 P HA 0.094 nan 4.420 nan 0.000 0.279 493 P C -0.874 176.406 177.300 -0.033 0.000 1.282 493 P CA -0.347 62.734 63.100 -0.030 0.000 0.788 493 P CB 0.532 32.222 31.700 -0.017 0.000 1.139 494 V N 0.242 120.152 119.914 -0.007 0.000 2.406 494 V HA 0.070 4.190 4.120 -0.000 0.000 0.272 494 V C 0.706 176.812 176.094 0.019 0.000 1.043 494 V CA -0.290 62.015 62.300 0.009 0.000 0.915 494 V CB -0.338 31.497 31.823 0.020 0.000 0.988 494 V HN 0.827 nan 8.190 nan 0.000 0.466 495 c N 3.632 122.262 118.600 0.050 0.000 4.268 495 c HA -0.213 4.357 4.570 -0.000 0.000 0.299 495 c C 1.537 175.641 174.090 0.022 0.000 1.429 495 c CA 0.476 56.843 56.329 0.063 0.000 2.018 495 c CB -3.132 39.383 42.510 0.007 0.000 1.277 495 c HN 1.269 nan 8.230 nan 0.000 0.767 496 S N -1.312 114.399 115.700 0.019 0.000 3.419 496 S HA -0.329 4.141 4.470 -0.000 0.000 0.350 496 S C 0.722 175.325 174.600 0.005 0.000 1.128 496 S CA 1.412 59.615 58.200 0.005 0.000 0.999 496 S CB -1.014 62.195 63.200 0.014 0.000 0.923 496 S HN 1.071 nan 8.310 nan 0.000 0.522 497 Q N -2.137 117.668 119.800 0.009 0.000 2.437 497 Q HA -0.295 4.045 4.340 -0.000 0.000 0.274 497 Q C 0.959 176.983 176.000 0.040 0.000 1.165 497 Q CA 1.370 57.196 55.803 0.038 0.000 0.925 497 Q CB -1.010 27.761 28.738 0.054 0.000 1.327 497 Q HN 0.717 nan 8.270 nan 0.000 0.505 498 R N -0.929 119.522 120.500 -0.081 0.000 2.476 498 R HA 0.275 4.615 4.340 -0.000 0.000 0.276 498 R C 0.742 176.607 176.300 -0.726 0.000 0.941 498 R CA 0.578 56.568 56.100 -0.185 0.000 1.088 498 R CB 1.236 31.500 30.300 -0.060 0.000 1.216 498 R HN 0.254 nan 8.270 nan 0.000 0.533 499 G N -0.211 108.204 108.800 -0.642 0.000 2.827 499 G HA2 0.388 4.348 3.960 -0.000 0.000 0.296 499 G HA3 0.388 4.348 3.960 -0.000 0.000 0.296 499 G C -1.474 173.285 174.900 -0.233 0.000 1.362 499 G CA -0.435 44.322 45.100 -0.571 0.000 0.809 499 G HN -0.110 nan 8.290 nan 0.000 0.522 500 E N -0.813 119.349 120.200 -0.064 0.000 2.234 500 E HA 0.281 4.631 4.350 -0.000 0.000 0.266 500 E C -1.018 175.594 176.600 0.020 0.000 0.877 500 E CA -0.616 55.802 56.400 0.030 0.000 0.758 500 E CB 1.927 31.677 29.700 0.083 0.000 1.170 500 E HN 0.470 nan 8.360 nan 0.000 0.415 501 c N 5.684 124.301 118.600 0.029 0.000 2.756 501 c HA 0.276 4.846 4.570 -0.000 0.000 0.504 501 c C 0.035 174.142 174.090 0.028 0.000 1.028 501 c CA -0.321 56.028 56.329 0.032 0.000 1.167 501 c CB -2.153 40.381 42.510 0.040 0.000 1.444 501 c HN 0.403 nan 8.230 nan 0.000 0.577 502 L N 4.576 125.814 121.223 0.024 0.000 2.265 502 L HA 0.330 4.670 4.340 -0.000 0.000 0.288 502 L C 1.032 177.915 176.870 0.023 0.000 1.058 502 L CA -0.490 54.361 54.840 0.020 0.000 0.809 502 L CB 0.732 42.799 42.059 0.013 0.000 1.179 502 L HN 0.615 nan 8.230 nan 0.000 0.429 503 c N 3.358 121.973 118.600 0.024 0.000 4.350 503 c HA -0.138 4.432 4.570 -0.000 0.000 0.302 503 c C 1.440 175.550 174.090 0.033 0.000 1.390 503 c CA 0.393 56.741 56.329 0.032 0.000 2.016 503 c CB -2.603 39.931 42.510 0.040 0.000 1.271 503 c HN 1.349 nan 8.230 nan 0.000 0.760 504 G N 0.511 109.331 108.800 0.032 0.000 2.366 504 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.299 504 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.299 504 G C -0.352 174.569 174.900 0.034 0.000 1.020 504 G CA 1.162 46.284 45.100 0.036 0.000 1.026 504 G HN 1.435 nan 8.290 nan 0.000 0.512 505 Q N -0.958 118.860 119.800 0.030 0.000 2.429 505 Q HA 0.340 4.680 4.340 -0.000 0.000 0.247 505 Q C -0.381 175.626 176.000 0.012 0.000 0.915 505 Q CA -0.825 54.987 55.803 0.016 0.000 0.971 505 Q CB 0.652 29.401 28.738 0.017 0.000 1.468 505 Q HN 0.385 nan 8.270 nan 0.000 0.439 506 c N 3.233 121.833 118.600 -0.000 0.000 2.627 506 c HA 0.370 4.940 4.570 -0.000 0.000 0.404 506 c C 0.295 174.375 174.090 -0.017 0.000 1.340 506 c CA -0.282 56.044 56.329 -0.005 0.000 1.758 506 c CB -0.423 42.084 42.510 -0.006 0.000 2.501 506 c HN 0.475 nan 8.230 nan 0.000 0.588 507 V N 4.832 124.738 119.914 -0.013 0.000 2.313 507 V HA 0.206 4.326 4.120 -0.000 0.000 0.278 507 V C 0.384 176.460 176.094 -0.029 0.000 1.017 507 V CA -0.468 61.829 62.300 -0.006 0.000 0.823 507 V CB 0.435 32.268 31.823 0.016 0.000 1.010 507 V HN 1.075 nan 8.190 nan 0.000 0.443 508 c N 4.145 122.723 118.600 -0.038 0.000 2.689 508 c HA 0.276 4.846 4.570 -0.000 0.000 0.409 508 c C 1.014 175.104 174.090 0.000 0.000 1.293 508 c CA -0.568 55.710 56.329 -0.084 0.000 2.136 508 c CB -0.733 41.757 42.510 -0.034 0.000 2.719 508 c HN 0.820 nan 8.230 nan 0.000 0.644 509 H N 0.307 119.409 119.070 0.053 0.000 2.679 509 H HA 0.213 4.768 4.556 -0.001 0.000 0.369 509 H C 0.771 176.141 175.328 0.069 0.000 1.178 509 H CA -0.153 55.927 56.048 0.054 0.000 1.419 509 H CB 0.554 30.351 29.762 0.059 0.000 1.458 509 H HN 0.656 nan 8.280 nan 0.000 0.605 510 S N 0.409 116.224 115.700 0.192 0.000 2.626 510 S HA 0.256 4.726 4.470 -0.000 0.000 0.257 510 S C 0.072 174.758 174.600 0.143 0.000 1.288 510 S CA -0.574 57.702 58.200 0.126 0.000 0.980 510 S CB 1.134 64.374 63.200 0.066 0.000 0.975 510 S HN 0.588 nan 8.310 nan 0.000 0.577 511 S N -1.109 114.646 115.700 0.092 0.000 2.543 511 S HA 0.257 4.727 4.470 -0.000 0.000 0.274 511 S C -0.467 174.079 174.600 -0.090 0.000 1.149 511 S CA -0.708 57.526 58.200 0.057 0.000 0.866 511 S CB 1.052 64.352 63.200 0.167 0.000 1.111 511 S HN 0.585 nan 8.310 nan 0.000 0.457 512 D N 2.119 122.409 120.400 -0.183 0.000 2.183 512 D HA 0.024 4.664 4.640 -0.000 0.000 0.203 512 D C 1.281 177.278 176.300 -0.506 0.000 0.969 512 D CA 1.295 55.081 54.000 -0.356 0.000 0.842 512 D CB -0.090 40.416 40.800 -0.490 0.000 0.957 512 D HN 0.561 nan 8.370 nan 0.000 0.484 513 F N 0.530 120.144 119.950 -0.559 0.000 2.234 513 F HA 0.199 4.724 4.527 -0.005 0.000 0.296 513 F C 1.848 177.231 175.800 -0.694 0.000 1.089 513 F CA 0.792 58.330 58.000 -0.770 0.000 1.343 513 F CB 0.122 38.336 39.000 -1.309 0.000 1.040 513 F HN -0.004 nan 8.300 nan 0.000 0.498 514 G N -0.856 107.635 108.800 -0.514 0.000 2.474 514 G HA2 0.281 4.241 3.960 -0.000 0.000 0.234 514 G HA3 0.281 4.241 3.960 -0.000 0.000 0.234 514 G C -1.641 173.404 174.900 0.243 0.000 1.204 514 G CA -0.876 44.255 45.100 0.052 0.000 0.939 514 G HN -0.088 nan 8.290 nan 0.000 0.491 515 K N -0.034 120.571 120.400 0.341 0.000 2.203 515 K HA 0.736 5.056 4.320 -0.000 0.000 0.251 515 K C -0.778 175.967 176.600 0.242 0.000 0.944 515 K CA -0.711 55.720 56.287 0.239 0.000 0.829 515 K CB 1.482 34.057 32.500 0.124 0.000 1.125 515 K HN 0.353 nan 8.250 nan 0.000 0.430 516 I N 3.157 123.828 120.570 0.169 0.000 2.392 516 I HA 0.294 4.464 4.170 -0.000 0.000 0.295 516 I C 0.110 176.244 176.117 0.028 0.000 0.985 516 I CA -0.439 60.906 61.300 0.075 0.000 1.221 516 I CB 1.913 39.962 38.000 0.082 0.000 1.366 516 I HN 0.810 nan 8.210 nan 0.000 0.467 517 T N 1.390 115.940 114.554 -0.007 0.000 2.778 517 T HA 0.918 5.268 4.350 -0.000 0.000 0.293 517 T C -0.229 174.453 174.700 -0.030 0.000 1.144 517 T CA -0.552 61.539 62.100 -0.015 0.000 1.010 517 T CB 1.918 70.779 68.868 -0.011 0.000 1.325 517 T HN 1.192 nan 8.240 nan 0.000 0.515 518 G N 0.079 108.855 108.800 -0.040 0.000 2.515 518 G HA2 0.016 3.976 3.960 -0.000 0.000 0.686 518 G HA3 0.016 3.976 3.960 -0.000 0.000 0.686 518 G C 0.098 174.927 174.900 -0.119 0.000 1.274 518 G CA 0.039 45.103 45.100 -0.059 0.000 0.874 518 G HN 0.918 nan 8.290 nan 0.000 0.631 519 K N -0.822 119.441 120.400 -0.229 0.000 2.097 519 K HA 0.002 4.322 4.320 -0.000 0.000 0.205 519 K C 0.913 177.182 176.600 -0.552 0.000 1.050 519 K CA 1.777 57.787 56.287 -0.461 0.000 0.938 519 K CB -0.150 31.910 32.500 -0.734 0.000 0.718 519 K HN 0.532 nan 8.250 nan 0.000 0.442 520 Y N -0.939 119.350 120.300 -0.018 0.000 2.734 520 Y HA 0.236 4.785 4.550 -0.001 0.000 0.278 520 Y C -0.124 175.752 175.900 -0.040 0.000 1.108 520 Y CA -0.943 57.141 58.100 -0.026 0.000 1.211 520 Y CB -0.326 38.121 38.460 -0.022 0.000 1.182 520 Y HN 0.040 nan 8.280 nan 0.000 0.547 521 c N 2.175 120.792 118.600 0.028 0.000 4.114 521 c HA -0.227 4.343 4.570 -0.000 0.000 0.300 521 c C 1.950 176.044 174.090 0.007 0.000 1.423 521 c CA 1.258 57.584 56.329 -0.005 0.000 2.034 521 c CB -1.713 40.772 42.510 -0.042 0.000 1.299 521 c HN 0.753 nan 8.230 nan 0.000 0.727 522 E N -1.508 118.710 120.200 0.030 0.000 2.400 522 E HA 0.031 4.381 4.350 -0.000 0.000 0.195 522 E C 0.527 177.113 176.600 -0.024 0.000 1.012 522 E CA 0.371 56.783 56.400 0.021 0.000 0.875 522 E CB -0.053 29.690 29.700 0.070 0.000 0.859 522 E HN 0.721 nan 8.360 nan 0.000 0.498 523 c N 2.107 120.685 118.600 -0.037 0.000 2.452 523 c HA 0.477 5.047 4.570 -0.000 0.000 0.379 523 c C 0.060 174.074 174.090 -0.127 0.000 1.275 523 c CA -0.565 55.723 56.329 -0.069 0.000 2.056 523 c CB 0.077 42.559 42.510 -0.048 0.000 2.506 523 c HN 0.349 nan 8.230 nan 0.000 0.560 524 D N 0.420 120.698 120.400 -0.204 0.000 2.299 524 D HA 0.319 4.959 4.640 -0.000 0.000 0.243 524 D C 0.106 176.195 176.300 -0.351 0.000 0.982 524 D CA -0.228 53.529 54.000 -0.405 0.000 0.924 524 D CB 1.307 41.764 40.800 -0.570 0.000 1.238 524 D HN 0.572 nan 8.370 nan 0.000 0.484 525 D N 0.457 120.594 120.400 -0.440 0.000 2.398 525 D HA 0.105 4.744 4.640 -0.000 0.000 0.210 525 D C -0.056 176.252 176.300 0.013 0.000 1.094 525 D CA 0.074 54.016 54.000 -0.097 0.000 0.839 525 D CB 0.134 41.011 40.800 0.129 0.000 0.963 525 D HN 0.421 nan 8.370 nan 0.000 0.506 526 F N -1.981 117.959 119.950 -0.016 0.000 2.944 526 F HA 0.321 4.844 4.527 -0.007 0.000 0.332 526 F C 0.674 176.419 175.800 -0.091 0.000 1.215 526 F CA -0.414 57.570 58.000 -0.027 0.000 1.079 526 F CB -0.439 38.582 39.000 0.036 0.000 1.272 526 F HN -0.055 nan 8.300 nan 0.000 0.509 527 S N -0.956 114.609 115.700 -0.225 0.000 2.574 527 S HA 0.302 4.772 4.470 -0.000 0.000 0.242 527 S C 0.416 174.940 174.600 -0.126 0.000 0.982 527 S CA -0.350 57.751 58.200 -0.165 0.000 0.977 527 S CB -1.228 61.832 63.200 -0.233 0.000 0.814 527 S HN 0.327 nan 8.310 nan 0.000 0.464 528 c N 1.410 119.942 118.600 -0.112 0.000 2.563 528 c HA 0.499 5.069 4.570 -0.000 0.000 0.358 528 c C 1.069 175.054 174.090 -0.176 0.000 1.336 528 c CA -0.691 55.548 56.329 -0.151 0.000 2.454 528 c CB 0.430 42.855 42.510 -0.141 0.000 2.448 528 c HN 0.482 nan 8.230 nan 0.000 0.670 529 V N 2.308 122.032 119.914 -0.315 0.000 2.775 529 V HA 0.289 4.409 4.120 -0.000 0.000 0.299 529 V C 0.403 176.373 176.094 -0.206 0.000 1.062 529 V CA -0.018 62.063 62.300 -0.364 0.000 1.063 529 V CB 0.385 31.685 31.823 -0.872 0.000 0.994 529 V HN 0.761 nan 8.190 nan 0.000 0.483 530 R N 1.467 121.944 120.500 -0.039 0.000 2.664 530 R HA 0.375 4.715 4.340 -0.000 0.000 0.286 530 R C -0.107 176.366 176.300 0.287 0.000 0.967 530 R CA -0.618 55.533 56.100 0.085 0.000 0.933 530 R CB 1.538 31.868 30.300 0.050 0.000 1.146 530 R HN 0.776 nan 8.270 nan 0.000 0.468 531 Y N 1.786 122.164 120.300 0.131 0.000 2.265 531 Y HA 0.252 4.816 4.550 0.023 0.000 0.290 531 Y C -0.036 175.891 175.900 0.045 0.000 1.137 531 Y CA 1.028 59.203 58.100 0.124 0.000 1.147 531 Y CB 0.786 39.294 38.460 0.080 0.000 1.104 531 Y HN 0.279 nan 8.280 nan 0.000 0.514 532 K N 0.313 120.555 120.400 -0.263 0.000 3.029 532 K HA 0.366 4.686 4.320 -0.000 0.000 0.169 532 K C 0.033 176.559 176.600 -0.124 0.000 1.090 532 K CA 0.224 56.314 56.287 -0.327 0.000 0.883 532 K CB 0.617 32.801 32.500 -0.526 0.000 1.080 532 K HN 0.521 nan 8.250 nan 0.000 0.613 533 G N 1.317 110.082 108.800 -0.060 0.000 2.179 533 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.257 533 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.257 533 G C -0.265 174.628 174.900 -0.012 0.000 1.010 533 G CA 0.161 45.246 45.100 -0.026 0.000 0.736 533 G HN 0.440 nan 8.290 nan 0.000 0.513 534 E N -0.473 119.729 120.200 0.003 0.000 2.244 534 E HA 0.375 4.725 4.350 -0.000 0.000 0.260 534 E C 0.136 176.741 176.600 0.009 0.000 0.884 534 E CA -0.810 55.589 56.400 -0.003 0.000 0.777 534 E CB 1.301 30.994 29.700 -0.011 0.000 1.197 534 E HN 0.398 nan 8.360 nan 0.000 0.416 535 M N 2.326 121.918 119.600 -0.012 0.000 2.246 535 M HA 0.024 4.504 4.480 -0.000 0.000 0.350 535 M C 0.151 176.418 176.300 -0.054 0.000 1.406 535 M CA 0.431 55.715 55.300 -0.026 0.000 1.089 535 M CB -0.055 32.538 32.600 -0.011 0.000 1.782 535 M HN 0.760 nan 8.290 nan 0.000 0.457 536 c N 3.027 121.582 118.600 -0.075 0.000 4.259 536 c HA -0.216 4.354 4.570 -0.000 0.000 0.294 536 c C 1.044 175.096 174.090 -0.064 0.000 1.459 536 c CA 0.589 56.866 56.329 -0.086 0.000 2.016 536 c CB -3.670 38.786 42.510 -0.089 0.000 1.274 536 c HN 1.175 nan 8.230 nan 0.000 0.792 537 S N -3.236 112.456 115.700 -0.013 0.000 3.380 537 S HA -0.212 4.258 4.470 -0.000 0.000 0.300 537 S C 1.509 175.921 174.600 -0.313 0.000 1.255 537 S CA 1.544 59.728 58.200 -0.025 0.000 0.963 537 S CB -1.741 61.446 63.200 -0.022 0.000 1.106 537 S HN 2.616 nan 8.310 nan 0.000 0.629 538 G N 0.705 109.332 108.800 -0.289 0.000 2.203 538 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.263 538 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.263 538 G C -0.036 174.483 174.900 -0.635 0.000 1.012 538 G CA 0.699 45.556 45.100 -0.406 0.000 0.749 538 G HN 0.806 nan 8.290 nan 0.000 0.512 539 H N -0.566 118.345 119.070 -0.265 0.000 2.575 539 H HA 0.501 5.056 4.556 -0.001 0.000 0.256 539 H C 0.984 176.233 175.328 -0.132 0.000 1.162 539 H CA 0.531 56.380 56.048 -0.331 0.000 0.969 539 H CB 0.822 30.044 29.762 -0.899 0.000 1.796 539 H HN 0.941 nan 8.280 nan 0.000 0.607 540 G N 0.158 108.946 108.800 -0.019 0.000 2.519 540 G HA2 0.203 4.163 3.960 -0.000 0.000 0.292 540 G HA3 0.203 4.163 3.960 -0.000 0.000 0.292 540 G C -1.704 173.185 174.900 -0.018 0.000 1.507 540 G CA -0.825 44.279 45.100 0.007 0.000 0.806 540 G HN 0.117 nan 8.290 nan 0.000 0.523 541 Q N -0.404 119.392 119.800 -0.006 0.000 2.241 541 Q HA 0.506 4.846 4.340 -0.000 0.000 0.254 541 Q C -0.281 175.709 176.000 -0.018 0.000 0.917 541 Q CA -0.659 55.137 55.803 -0.011 0.000 0.919 541 Q CB 1.644 30.381 28.738 -0.003 0.000 1.237 541 Q HN 0.683 nan 8.270 nan 0.000 0.434 542 c N 2.824 121.412 118.600 -0.019 0.000 2.499 542 c HA 0.568 5.138 4.570 -0.000 0.000 0.386 542 c C -0.109 173.964 174.090 -0.028 0.000 1.293 542 c CA 0.050 56.359 56.329 -0.032 0.000 1.884 542 c CB -0.211 42.284 42.510 -0.026 0.000 2.509 542 c HN 0.711 nan 8.230 nan 0.000 0.566 543 S N 4.604 120.282 115.700 -0.037 0.000 2.775 543 S HA 0.336 4.806 4.470 -0.000 0.000 0.277 543 S C -0.198 174.377 174.600 -0.042 0.000 1.156 543 S CA 0.018 58.199 58.200 -0.031 0.000 1.081 543 S CB 0.561 63.754 63.200 -0.012 0.000 1.054 543 S HN 1.691 nan 8.310 nan 0.000 0.482 544 c N 4.325 122.887 118.600 -0.063 0.000 4.235 544 c HA -0.103 4.467 4.570 -0.000 0.000 0.301 544 c C 1.691 175.740 174.090 -0.069 0.000 1.409 544 c CA 1.320 57.609 56.329 -0.067 0.000 2.024 544 c CB -2.329 40.161 42.510 -0.035 0.000 1.286 544 c HN 2.383 nan 8.230 nan 0.000 0.746 545 G N 0.050 108.791 108.800 -0.099 0.000 2.234 545 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.260 545 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.260 545 G C -0.290 174.574 174.900 -0.059 0.000 0.987 545 G CA 0.608 45.655 45.100 -0.088 0.000 0.625 545 G HN 0.803 nan 8.290 nan 0.000 0.532 546 D N 0.154 120.531 120.400 -0.039 0.000 2.163 546 D HA 0.496 5.136 4.640 -0.000 0.000 0.248 546 D C 0.062 176.332 176.300 -0.051 0.000 1.035 546 D CA -0.207 53.783 54.000 -0.016 0.000 0.872 546 D CB 1.539 42.352 40.800 0.023 0.000 1.183 546 D HN 0.141 nan 8.370 nan 0.000 0.445 547 c N 2.448 120.998 118.600 -0.083 0.000 2.373 547 c HA 0.281 4.851 4.570 -0.000 0.000 0.354 547 c C 0.627 174.707 174.090 -0.017 0.000 1.249 547 c CA -0.677 55.602 56.329 -0.082 0.000 1.784 547 c CB -1.130 41.286 42.510 -0.156 0.000 2.408 547 c HN 0.311 nan 8.230 nan 0.000 0.542 548 L N 4.405 125.627 121.223 -0.002 0.000 2.259 548 L HA 0.307 4.647 4.340 -0.000 0.000 0.288 548 L C 0.272 177.165 176.870 0.039 0.000 1.051 548 L CA -0.163 54.691 54.840 0.025 0.000 0.824 548 L CB -0.048 42.025 42.059 0.023 0.000 1.206 548 L HN 0.710 nan 8.230 nan 0.000 0.429 549 c N 1.310 119.948 118.600 0.064 0.000 2.580 549 c HA 0.203 4.773 4.570 -0.000 0.000 0.371 549 c C 0.786 174.947 174.090 0.118 0.000 1.308 549 c CA -0.844 55.547 56.329 0.102 0.000 2.428 549 c CB 0.319 42.914 42.510 0.142 0.000 2.529 549 c HN 0.655 nan 8.230 nan 0.000 0.657 550 D N 0.618 121.123 120.400 0.175 0.000 2.398 550 D HA 0.126 4.766 4.640 -0.000 0.000 0.247 550 D C 1.288 177.682 176.300 0.157 0.000 1.227 550 D CA 0.059 54.165 54.000 0.176 0.000 0.980 550 D CB 0.350 41.302 40.800 0.252 0.000 1.106 550 D HN 0.702 nan 8.370 nan 0.000 0.493 551 S N -0.686 115.070 115.700 0.093 0.000 2.423 551 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 551 S C 1.082 175.668 174.600 -0.023 0.000 1.014 551 S CA 0.846 59.061 58.200 0.024 0.000 0.965 551 S CB -0.031 63.156 63.200 -0.022 0.000 0.785 551 S HN 0.358 nan 8.310 nan 0.000 0.495 552 D N 0.197 120.583 120.400 -0.025 0.000 2.269 552 D HA 0.067 4.707 4.640 -0.000 0.000 0.208 552 D C -0.418 175.549 176.300 -0.555 0.000 0.963 552 D CA 0.701 54.518 54.000 -0.306 0.000 0.864 552 D CB 0.153 40.723 40.800 -0.383 0.000 0.936 552 D HN 0.522 nan 8.370 nan 0.000 0.505 553 W N -0.373 120.896 121.300 -0.052 0.000 2.864 553 W HA 0.401 5.067 4.660 0.009 0.000 0.343 553 W C 0.291 176.795 176.519 -0.025 0.000 1.109 553 W CA -0.646 56.657 57.345 -0.070 0.000 1.192 553 W CB 1.333 30.727 29.460 -0.110 0.000 1.426 553 W HN -0.484 nan 8.180 nan 0.000 0.529 554 T N 0.013 114.698 114.554 0.218 0.000 2.864 554 T HA 0.785 5.135 4.350 -0.000 0.000 0.289 554 T C -0.164 174.630 174.700 0.156 0.000 1.082 554 T CA 0.249 62.436 62.100 0.144 0.000 1.009 554 T CB 1.085 70.002 68.868 0.082 0.000 1.234 554 T HN 1.470 nan 8.240 nan 0.000 0.526 555 G N 0.426 109.311 108.800 0.143 0.000 2.663 555 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 555 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 555 G C -0.023 175.011 174.900 0.223 0.000 1.288 555 G CA 0.214 45.422 45.100 0.180 0.000 0.836 555 G HN 1.027 nan 8.290 nan 0.000 0.584 556 Y N -0.393 119.992 120.300 0.143 0.000 2.352 556 Y HA 0.045 4.595 4.550 0.000 0.000 0.292 556 Y C 2.297 178.206 175.900 0.015 0.000 1.136 556 Y CA 2.170 60.319 58.100 0.081 0.000 1.227 556 Y CB 0.042 38.557 38.460 0.093 0.000 0.991 556 Y HN 0.527 nan 8.280 nan 0.000 0.545 557 Y N -2.101 118.160 120.300 -0.066 0.000 2.458 557 Y HA 0.157 4.696 4.550 -0.018 0.000 0.256 557 Y C 1.191 177.027 175.900 -0.106 0.000 1.159 557 Y CA -0.008 58.004 58.100 -0.147 0.000 1.261 557 Y CB 0.045 38.458 38.460 -0.079 0.000 1.119 557 Y HN 0.037 nan 8.280 nan 0.000 0.524 558 c N 3.113 121.769 118.600 0.093 0.000 4.235 558 c HA -0.211 4.359 4.570 -0.000 0.000 0.301 558 c C 1.187 175.281 174.090 0.007 0.000 1.409 558 c CA 1.029 57.410 56.329 0.086 0.000 2.024 558 c CB -2.292 40.244 42.510 0.044 0.000 1.286 558 c HN 0.820 nan 8.230 nan 0.000 0.746 559 N N -1.041 117.666 118.700 0.011 0.000 2.170 559 N HA 0.145 4.885 4.740 -0.000 0.000 0.222 559 N C -0.267 175.317 175.510 0.123 0.000 1.218 559 N CA 0.182 53.145 53.050 -0.144 0.000 0.889 559 N CB -0.068 38.099 38.487 -0.534 0.000 1.083 559 N HN 0.655 nan 8.380 nan 0.000 0.520 560 c N 1.790 120.527 118.600 0.228 0.000 2.223 560 c HA 0.505 5.075 4.570 -0.000 0.000 0.324 560 c C 0.802 174.992 174.090 0.167 0.000 1.196 560 c CA -0.250 56.184 56.329 0.174 0.000 1.628 560 c CB -1.079 41.485 42.510 0.091 0.000 2.229 560 c HN 0.414 nan 8.230 nan 0.000 0.486 561 T N 3.149 117.691 114.554 -0.020 0.000 2.900 561 T HA 0.157 4.507 4.350 -0.000 0.000 0.307 561 T C 1.541 176.048 174.700 -0.322 0.000 1.065 561 T CA 0.788 62.551 62.100 -0.561 0.000 1.105 561 T CB 0.780 69.176 68.868 -0.787 0.000 0.979 561 T HN 0.921 nan 8.240 nan 0.000 0.544 562 T N 2.011 116.336 114.554 -0.381 0.000 3.065 562 T HA 0.217 4.567 4.350 -0.000 0.000 0.252 562 T C 0.898 175.493 174.700 -0.175 0.000 1.099 562 T CA -0.079 61.898 62.100 -0.206 0.000 1.063 562 T CB 0.032 68.800 68.868 -0.166 0.000 0.948 562 T HN 0.527 nan 8.240 nan 0.000 0.506 563 R N 2.155 122.511 120.500 -0.240 0.000 2.679 563 R HA 0.258 4.598 4.340 -0.000 0.000 0.268 563 R C 0.850 177.085 176.300 -0.109 0.000 1.044 563 R CA 0.877 56.880 56.100 -0.162 0.000 1.105 563 R CB 0.233 30.414 30.300 -0.199 0.000 0.989 563 R HN 0.474 nan 8.270 nan 0.000 0.447 564 T N -2.631 111.882 114.554 -0.069 0.000 3.339 564 T HA 0.115 4.465 4.350 -0.000 0.000 0.292 564 T C 0.077 174.753 174.700 -0.040 0.000 1.012 564 T CA -0.587 61.485 62.100 -0.047 0.000 0.937 564 T CB 0.225 69.077 68.868 -0.028 0.000 1.164 564 T HN 0.336 nan 8.240 nan 0.000 0.509 565 D N 2.603 122.970 120.400 -0.054 0.000 2.103 565 D HA -0.067 4.573 4.640 -0.000 0.000 0.199 565 D C 2.336 178.614 176.300 -0.036 0.000 0.978 565 D CA 2.039 56.009 54.000 -0.049 0.000 0.829 565 D CB -0.465 40.293 40.800 -0.069 0.000 0.981 565 D HN 0.668 nan 8.370 nan 0.000 0.464 566 T N -2.233 112.300 114.554 -0.035 0.000 3.113 566 T HA -0.006 4.344 4.350 -0.000 0.000 0.256 566 T C 2.123 176.813 174.700 -0.016 0.000 1.131 566 T CA 0.182 62.269 62.100 -0.022 0.000 1.074 566 T CB -0.607 68.251 68.868 -0.018 0.000 0.944 566 T HN 0.077 nan 8.240 nan 0.000 0.516 567 c N 0.694 119.282 118.600 -0.020 0.000 2.475 567 c HA 0.428 4.998 4.570 -0.000 0.000 0.279 567 c C 1.411 175.495 174.090 -0.011 0.000 1.322 567 c CA -0.469 55.852 56.329 -0.013 0.000 1.734 567 c CB -0.764 41.737 42.510 -0.015 0.000 2.005 567 c HN 0.651 nan 8.230 nan 0.000 0.495 568 M N 1.420 121.012 119.600 -0.012 0.000 2.242 568 M HA 0.233 4.713 4.480 -0.000 0.000 0.344 568 M C 0.607 176.901 176.300 -0.009 0.000 1.140 568 M CA 0.265 55.559 55.300 -0.009 0.000 1.160 568 M CB 0.784 33.380 32.600 -0.007 0.000 1.491 568 M HN 0.449 nan 8.290 nan 0.000 0.459 569 S N 1.273 116.967 115.700 -0.010 0.000 2.753 569 S HA 0.406 4.876 4.470 -0.000 0.000 0.302 569 S C 0.904 175.499 174.600 -0.009 0.000 1.104 569 S CA -0.107 58.086 58.200 -0.012 0.000 0.968 569 S CB 1.021 64.209 63.200 -0.020 0.000 1.278 569 S HN 0.810 nan 8.310 nan 0.000 0.549 570 S N 0.621 116.315 115.700 -0.009 0.000 2.423 570 S HA -0.147 4.323 4.470 -0.000 0.000 0.231 570 S C 1.390 175.987 174.600 -0.006 0.000 1.014 570 S CA 1.284 59.481 58.200 -0.005 0.000 0.965 570 S CB -1.259 61.938 63.200 -0.005 0.000 0.785 570 S HN 0.733 nan 8.310 nan 0.000 0.495 571 N N 1.752 120.445 118.700 -0.011 0.000 2.005 571 N HA 0.115 4.855 4.740 -0.000 0.000 0.199 571 N C 1.487 176.996 175.510 -0.001 0.000 1.054 571 N CA 2.208 55.253 53.050 -0.009 0.000 0.864 571 N CB -0.386 38.093 38.487 -0.013 0.000 1.063 571 N HN 0.636 nan 8.380 nan 0.000 0.428 572 G N -1.912 106.889 108.800 0.000 0.000 3.768 572 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.214 572 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.214 572 G C -0.253 174.650 174.900 0.004 0.000 1.058 572 G CA -0.475 44.626 45.100 0.003 0.000 0.890 572 G HN 0.078 nan 8.290 nan 0.000 0.393 573 L N 1.867 123.095 121.223 0.007 0.000 2.416 573 L HA 0.619 4.959 4.340 -0.000 0.000 0.262 573 L C 0.647 177.521 176.870 0.006 0.000 1.093 573 L CA -1.022 53.824 54.840 0.009 0.000 0.801 573 L CB 1.116 43.186 42.059 0.018 0.000 1.191 573 L HN 0.036 nan 8.230 nan 0.000 0.459 574 L N 0.366 121.592 121.223 0.005 0.000 2.453 574 L HA 0.059 4.399 4.340 -0.000 0.000 0.272 574 L C 0.239 177.111 176.870 0.004 0.000 1.182 574 L CA -0.416 54.425 54.840 0.002 0.000 0.858 574 L CB 0.422 42.482 42.059 0.001 0.000 1.120 574 L HN 0.816 nan 8.230 nan 0.000 0.474 575 c N 2.939 121.538 118.600 -0.001 0.000 4.056 575 c HA -0.225 4.345 4.570 -0.000 0.000 0.302 575 c C 1.680 175.766 174.090 -0.006 0.000 1.356 575 c CA 0.442 56.770 56.329 -0.003 0.000 2.074 575 c CB -3.248 39.264 42.510 0.003 0.000 1.328 575 c HN 1.210 nan 8.230 nan 0.000 0.684 576 S N -0.399 115.294 115.700 -0.012 0.000 4.157 576 S HA -0.373 4.097 4.470 -0.000 0.000 0.539 576 S C 1.627 176.229 174.600 0.003 0.000 1.854 576 S CA 2.289 60.477 58.200 -0.020 0.000 4.235 576 S CB -1.472 61.699 63.200 -0.049 0.000 0.383 576 S HN 1.588 nan 8.310 nan 0.000 0.457 577 G N 1.209 110.012 108.800 0.006 0.000 2.664 577 G HA2 0.403 4.363 3.960 -0.000 0.000 0.216 577 G HA3 0.403 4.363 3.960 -0.000 0.000 0.216 577 G C 0.281 175.234 174.900 0.089 0.000 1.243 577 G CA 0.449 45.593 45.100 0.073 0.000 0.859 577 G HN 0.547 nan 8.290 nan 0.000 0.574 578 R N -0.570 119.974 120.500 0.074 0.000 2.532 578 R HA 0.564 4.904 4.340 -0.000 0.000 0.297 578 R C -1.159 175.164 176.300 0.038 0.000 0.984 578 R CA 0.114 56.253 56.100 0.065 0.000 0.884 578 R CB 1.948 32.302 30.300 0.090 0.000 1.182 578 R HN 0.621 nan 8.270 nan 0.000 0.442 579 G N 2.828 111.645 108.800 0.029 0.000 2.270 579 G HA2 0.049 4.009 3.960 -0.000 0.000 0.295 579 G HA3 0.049 4.009 3.960 -0.000 0.000 0.295 579 G C -1.557 173.353 174.900 0.016 0.000 1.732 579 G CA -0.993 44.120 45.100 0.022 0.000 0.909 579 G HN 0.370 nan 8.290 nan 0.000 0.730 580 K N 0.786 121.195 120.400 0.015 0.000 2.339 580 K HA 0.398 4.718 4.320 -0.000 0.000 0.286 580 K C 0.328 176.933 176.600 0.008 0.000 1.050 580 K CA -0.394 55.900 56.287 0.011 0.000 0.956 580 K CB 1.596 34.103 32.500 0.012 0.000 0.990 580 K HN 0.500 nan 8.250 nan 0.000 0.475 581 c N 4.109 122.711 118.600 0.003 0.000 2.514 581 c HA 0.186 4.756 4.570 -0.000 0.000 0.392 581 c C -0.355 173.733 174.090 -0.004 0.000 1.294 581 c CA -0.101 56.227 56.329 -0.002 0.000 1.957 581 c CB -0.761 41.743 42.510 -0.009 0.000 2.541 581 c HN 0.762 nan 8.230 nan 0.000 0.569 582 E N 3.668 123.866 120.200 -0.003 0.000 2.281 582 E HA 0.334 4.684 4.350 -0.000 0.000 0.266 582 E C -0.031 176.567 176.600 -0.005 0.000 0.893 582 E CA -0.466 55.933 56.400 -0.001 0.000 0.798 582 E CB 1.134 30.839 29.700 0.008 0.000 1.245 582 E HN 0.903 nan 8.360 nan 0.000 0.410 583 c N 2.719 121.310 118.600 -0.015 0.000 4.356 583 c HA -0.189 4.381 4.570 -0.000 0.000 0.296 583 c C 1.535 175.608 174.090 -0.028 0.000 1.424 583 c CA 0.559 56.877 56.329 -0.017 0.000 2.000 583 c CB -2.358 40.161 42.510 0.015 0.000 1.262 583 c HN 1.279 nan 8.230 nan 0.000 0.789 584 G N -1.383 107.391 108.800 -0.044 0.000 2.268 584 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.240 584 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.240 584 G C 0.060 174.951 174.900 -0.015 0.000 1.010 584 G CA 0.383 45.459 45.100 -0.040 0.000 0.618 584 G HN 1.160 nan 8.290 nan 0.000 0.516 585 S N -0.105 115.593 115.700 -0.003 0.000 2.509 585 S HA 0.592 5.062 4.470 -0.000 0.000 0.297 585 S C 0.369 174.974 174.600 0.007 0.000 1.118 585 S CA -0.331 57.874 58.200 0.007 0.000 1.074 585 S CB 1.844 65.054 63.200 0.017 0.000 1.038 585 S HN 0.588 nan 8.310 nan 0.000 0.498 586 c N 2.757 121.363 118.600 0.010 0.000 2.601 586 c HA 0.427 4.997 4.570 -0.000 0.000 0.409 586 c C 0.401 174.502 174.090 0.018 0.000 1.293 586 c CA -0.610 55.726 56.329 0.011 0.000 2.101 586 c CB -0.238 42.278 42.510 0.010 0.000 2.639 586 c HN 0.621 nan 8.230 nan 0.000 0.592 587 V N 3.724 123.649 119.914 0.018 0.000 2.275 587 V HA 0.160 4.280 4.120 -0.000 0.000 0.272 587 V C 0.170 176.279 176.094 0.025 0.000 1.028 587 V CA -0.423 61.890 62.300 0.022 0.000 0.810 587 V CB 0.119 31.954 31.823 0.020 0.000 1.043 587 V HN 1.083 nan 8.190 nan 0.000 0.453 588 c N 5.787 124.406 118.600 0.031 0.000 2.648 588 c HA 0.205 4.775 4.570 -0.000 0.000 0.419 588 c C 1.923 176.033 174.090 0.034 0.000 1.352 588 c CA -0.374 55.974 56.329 0.033 0.000 1.816 588 c CB -0.341 42.194 42.510 0.041 0.000 2.598 588 c HN 0.689 nan 8.230 nan 0.000 0.598 589 I N 1.354 121.944 120.570 0.033 0.000 2.729 589 I HA 0.031 4.201 4.170 -0.000 0.000 0.256 589 I C 1.389 177.530 176.117 0.040 0.000 1.115 589 I CA 0.769 62.089 61.300 0.034 0.000 1.446 589 I CB -1.031 36.987 38.000 0.030 0.000 1.176 589 I HN 0.685 nan 8.210 nan 0.000 0.446 590 Q N 3.993 123.821 119.800 0.047 0.000 2.275 590 Q HA 0.011 4.351 4.340 -0.000 0.000 0.293 590 Q C -2.314 173.717 176.000 0.052 0.000 1.129 590 Q CA -1.073 54.765 55.803 0.058 0.000 0.971 590 Q CB 0.217 28.996 28.738 0.068 0.000 1.098 590 Q HN 0.043 nan 8.270 nan 0.000 0.386 591 P HA -0.013 nan 4.420 nan 0.000 0.260 591 P C 0.484 177.818 177.300 0.056 0.000 1.172 591 P CA 1.460 64.590 63.100 0.049 0.000 0.760 591 P CB 0.546 32.272 31.700 0.044 0.000 0.773 592 G N 2.140 110.982 108.800 0.070 0.000 2.241 592 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 592 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 592 G C 0.375 175.366 174.900 0.151 0.000 0.998 592 G CA 0.233 45.392 45.100 0.099 0.000 0.621 592 G HN 0.782 nan 8.290 nan 0.000 0.519 593 S N 0.355 116.109 115.700 0.090 0.000 2.585 593 S HA 0.733 5.203 4.470 -0.000 0.000 0.273 593 S C -0.180 174.499 174.600 0.133 0.000 1.339 593 S CA 0.526 58.744 58.200 0.030 0.000 1.028 593 S CB 1.365 64.553 63.200 -0.021 0.000 0.906 593 S HN 1.886 nan 8.310 nan 0.000 0.528 594 Y N -1.738 118.558 120.300 -0.007 0.000 2.764 594 Y HA 0.819 5.368 4.550 -0.000 0.000 0.331 594 Y C -0.052 175.843 175.900 -0.008 0.000 1.280 594 Y CA -0.638 57.459 58.100 -0.005 0.000 1.065 594 Y CB 0.587 39.044 38.460 -0.004 0.000 1.319 594 Y HN 1.460 nan 8.280 nan 0.000 0.453 595 G N 0.740 109.667 108.800 0.211 0.000 2.479 595 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.686 595 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.686 595 G C -0.736 174.195 174.900 0.052 0.000 1.295 595 G CA -0.148 45.010 45.100 0.097 0.000 0.922 595 G HN 0.722 nan 8.290 nan 0.000 0.582 596 D N -0.288 120.132 120.400 0.033 0.000 2.178 596 D HA -0.029 4.611 4.640 -0.000 0.000 0.201 596 D C 2.346 178.650 176.300 0.007 0.000 0.980 596 D CA 2.342 56.355 54.000 0.021 0.000 0.842 596 D CB -0.034 40.775 40.800 0.015 0.000 0.948 596 D HN 0.963 nan 8.370 nan 0.000 0.472 597 T N -3.187 111.362 114.554 -0.009 0.000 3.339 597 T HA 0.225 4.575 4.350 -0.000 0.000 0.292 597 T C 0.796 175.477 174.700 -0.031 0.000 1.012 597 T CA -0.339 61.751 62.100 -0.017 0.000 0.937 597 T CB -0.996 67.860 68.868 -0.020 0.000 1.164 597 T HN 0.145 nan 8.240 nan 0.000 0.509 598 c N 2.842 121.420 118.600 -0.035 0.000 4.274 598 c HA -0.154 4.416 4.570 -0.000 0.000 0.297 598 c C 2.142 176.163 174.090 -0.116 0.000 1.446 598 c CA 0.893 57.184 56.329 -0.063 0.000 2.016 598 c CB -2.510 39.982 42.510 -0.030 0.000 1.273 598 c HN 0.871 nan 8.230 nan 0.000 0.782 599 E N 0.480 120.601 120.200 -0.132 0.000 2.216 599 E HA -0.057 4.293 4.350 -0.000 0.000 0.192 599 E C 0.524 176.989 176.600 -0.224 0.000 0.988 599 E CA 0.939 57.251 56.400 -0.145 0.000 0.834 599 E CB 0.062 29.699 29.700 -0.104 0.000 0.772 599 E HN 0.591 nan 8.360 nan 0.000 0.479 600 K N 0.921 121.104 120.400 -0.362 0.000 2.227 600 K HA 0.292 4.612 4.320 -0.000 0.000 0.280 600 K C -0.646 175.568 176.600 -0.642 0.000 1.041 600 K CA -0.486 55.460 56.287 -0.569 0.000 0.905 600 K CB 1.352 33.293 32.500 -0.932 0.000 1.068 600 K HN 0.125 nan 8.250 nan 0.000 0.470 601 C N 6.234 125.308 119.300 -0.377 0.000 3.277 601 C HA 0.272 4.732 4.460 -0.000 0.000 0.352 601 C C -1.701 173.234 174.990 -0.092 0.000 0.998 601 C CA -1.125 57.770 59.018 -0.205 0.000 1.303 601 C CB 0.027 27.676 27.740 -0.152 0.000 1.698 601 C HN 0.624 nan 8.230 nan 0.000 0.574 602 P HA -0.072 nan 4.420 nan 0.000 0.217 602 P C 1.369 178.678 177.300 0.015 0.000 1.150 602 P CA 1.913 65.024 63.100 0.018 0.000 0.832 602 P CB 0.076 31.825 31.700 0.081 0.000 0.787 603 T N -4.662 109.912 114.554 0.032 0.000 3.206 603 T HA 0.167 4.517 4.350 -0.000 0.000 0.253 603 T C 0.560 175.272 174.700 0.020 0.000 1.042 603 T CA -0.428 61.689 62.100 0.029 0.000 0.931 603 T CB -1.520 67.373 68.868 0.041 0.000 1.029 603 T HN -0.074 nan 8.240 nan 0.000 0.564 604 C N 3.204 122.502 119.300 -0.003 0.000 2.657 604 C HA 0.450 4.910 4.460 -0.000 0.000 0.404 604 C C -1.496 173.498 174.990 0.006 0.000 1.291 604 C CA -1.157 57.857 59.018 -0.007 0.000 2.218 604 C CB 0.298 27.993 27.740 -0.075 0.000 2.687 604 C HN 0.475 nan 8.230 nan 0.000 0.634 605 P HA 0.169 nan 4.420 nan 0.000 0.269 605 P C -0.527 176.801 177.300 0.047 0.000 1.215 605 P CA -0.030 63.110 63.100 0.068 0.000 0.780 605 P CB 0.336 32.110 31.700 0.125 0.000 0.898 606 D N 0.401 120.827 120.400 0.042 0.000 2.369 606 D HA 0.050 4.690 4.640 -0.000 0.000 0.241 606 D C 1.078 177.420 176.300 0.069 0.000 1.271 606 D CA -0.282 53.734 54.000 0.027 0.000 0.942 606 D CB -0.052 40.762 40.800 0.024 0.000 1.129 606 D HN 0.297 nan 8.370 nan 0.000 0.476 607 A N 0.119 122.968 122.820 0.048 0.000 2.019 607 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 607 A C 2.303 179.953 177.584 0.111 0.000 1.164 607 A CA 1.345 53.439 52.037 0.095 0.000 0.644 607 A CB -1.038 17.992 19.000 0.049 0.000 0.805 607 A HN 0.726 nan 8.150 nan 0.000 0.449 608 C N -1.070 118.272 119.300 0.071 0.000 2.393 608 C HA -0.123 4.337 4.460 -0.000 0.000 0.276 608 C C 2.955 177.982 174.990 0.063 0.000 1.215 608 C CA 1.616 60.667 59.018 0.055 0.000 1.743 608 C CB -1.642 26.121 27.740 0.038 0.000 2.044 608 C HN 0.636 nan 8.230 nan 0.000 0.464 609 T N 0.096 114.698 114.554 0.080 0.000 2.896 609 T HA -0.039 4.311 4.350 -0.000 0.000 0.263 609 T C 1.510 176.264 174.700 0.090 0.000 1.050 609 T CA 1.058 63.201 62.100 0.072 0.000 1.140 609 T CB -0.349 68.563 68.868 0.073 0.000 0.877 609 T HN 0.482 nan 8.240 nan 0.000 0.457 610 F N 1.936 121.884 119.950 -0.003 0.000 2.074 610 F HA 0.101 4.628 4.527 -0.000 0.000 0.293 610 F C 0.711 176.508 175.800 -0.005 0.000 1.116 610 F CA 0.830 58.827 58.000 -0.005 0.000 1.212 610 F CB 0.146 39.142 39.000 -0.007 0.000 0.998 610 F HN -0.219 nan 8.300 nan 0.000 0.471 611 K N 2.347 122.874 120.400 0.212 0.000 2.276 611 K HA 0.287 4.607 4.320 -0.000 0.000 0.285 611 K C -0.666 175.955 176.600 0.035 0.000 1.062 611 K CA -0.138 56.211 56.287 0.104 0.000 0.918 611 K CB 1.589 34.169 32.500 0.134 0.000 1.055 611 K HN 0.253 nan 8.250 nan 0.000 0.477 612 K N 0.000 120.395 120.400 -0.008 0.000 2.780 612 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 612 K CA 0.000 56.280 56.287 -0.011 0.000 0.838 612 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 612 K HN 0.000 nan 8.250 nan 0.000 0.543