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 3fsq_1_A DATA FIRST_RESID 8 DATA SEQUENCE FPAREFQRDL LDWFARERRD LPWRKDRDPY KVWVSEVMLQ QTRVETVIPY DATA SEQUENCE FEQFIDRFPT LEALADADED EVLKAWEGLG YYSRVRNLHA AVKEVKTRYG DATA SEQUENCE GKVPDDPDEF SRLKGVGPYT VGAVLSLAYG VPEPAVDGNV MRVLSRLFLV DATA SEQUENCE TDDIAKPSTR KRFEQIVREI MAYENPGAFN EALIELGALV CTPRRPSCLL DATA SEQUENCE CPVQAYCQAF AEGVAEELPV KMKKTAVKQV PLAVAVLADD EGRVLIRKRD DATA SEQUENCE STGLLANLWE FPSCETDGAD GKEKLEQMVG EQXXXXXELT EPIVSFEHAF DATA SEQUENCE SHLVWQLTVF PGRLVHGGPV EEPYRLAPED ELKAYAFPVS HQRVWREYKE DATA SEQUENCE WAS 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 8 F HA 0.000 nan 4.527 nan 0.000 0.279 8 F C 0.000 175.849 175.800 0.081 0.000 0.967 8 F CA 0.000 58.032 58.000 0.053 0.000 1.383 8 F CB 0.000 39.044 39.000 0.074 0.000 1.145 9 P HA 0.235 nan 4.420 nan 0.000 0.244 9 P C -0.386 176.635 177.300 -0.466 0.000 1.723 9 P CA 0.077 62.910 63.100 -0.445 0.000 1.110 9 P CB 0.137 31.624 31.700 -0.355 0.000 1.972 10 A N 2.604 125.299 122.820 -0.208 0.000 2.990 10 A HA 0.342 4.053 4.320 -1.015 0.000 0.282 10 A C 1.075 178.753 177.584 0.157 0.000 1.688 10 A CA -0.178 51.942 52.037 0.138 0.000 1.391 10 A CB -0.328 18.902 19.000 0.384 0.000 1.112 10 A HN 0.262 nan 8.150 nan 0.000 0.588 11 R N -0.074 120.529 120.500 0.173 0.000 2.843 11 R HA 0.047 3.778 4.340 -1.015 0.000 0.045 11 R C 1.066 177.472 176.300 0.177 0.000 0.808 11 R CA 0.694 56.888 56.100 0.156 0.000 2.872 11 R CB -0.460 29.895 30.300 0.092 0.000 1.270 11 R HN 0.452 nan 8.270 nan 0.000 0.510 12 E N 0.027 120.325 120.200 0.163 0.000 2.268 12 E HA 0.038 3.780 4.350 -1.015 0.000 0.195 12 E C 1.259 178.057 176.600 0.329 0.000 0.995 12 E CA 0.964 57.474 56.400 0.184 0.000 0.836 12 E CB -0.095 29.667 29.700 0.103 0.000 0.763 12 E HN 0.254 nan 8.360 nan 0.000 0.491 13 F N 1.154 121.232 119.950 0.213 0.000 2.164 13 F HA -0.039 3.885 4.527 -1.005 0.000 0.287 13 F C 1.693 177.575 175.800 0.137 0.000 1.086 13 F CA 0.856 58.927 58.000 0.119 0.000 1.249 13 F CB -0.071 38.991 39.000 0.102 0.000 1.059 13 F HN -0.105 nan 8.300 nan 0.000 0.490 14 Q N -0.228 119.866 119.800 0.491 0.000 2.576 14 Q HA -0.142 3.589 4.340 -1.015 0.000 0.218 14 Q C 1.376 177.506 176.000 0.216 0.000 0.983 14 Q CA 0.549 56.599 55.803 0.410 0.000 0.920 14 Q CB -0.198 28.759 28.738 0.365 0.000 0.973 14 Q HN 0.197 nan 8.270 nan 0.000 0.528 15 R N 0.252 120.838 120.500 0.142 0.000 2.310 15 R HA 0.056 3.788 4.340 -1.015 0.000 0.199 15 R C 0.617 176.960 176.300 0.072 0.000 0.891 15 R CA 0.527 56.694 56.100 0.111 0.000 1.060 15 R CB 0.241 30.606 30.300 0.108 0.000 1.188 15 R HN 0.145 nan 8.270 nan 0.000 0.607 16 D N 0.361 120.779 120.400 0.030 0.000 2.348 16 D HA -0.077 3.954 4.640 -1.015 0.000 0.216 16 D C 1.453 177.715 176.300 -0.064 0.000 0.970 16 D CA 0.500 54.501 54.000 0.000 0.000 0.889 16 D CB 0.268 41.074 40.800 0.010 0.000 0.912 16 D HN 0.054 nan 8.370 nan 0.000 0.524 17 L N -0.440 120.697 121.223 -0.143 0.000 2.187 17 L HA 0.137 3.868 4.340 -1.015 0.000 0.197 17 L C 1.736 178.689 176.870 0.138 0.000 1.090 17 L CA 0.932 55.689 54.840 -0.138 0.000 0.781 17 L CB -0.318 41.510 42.059 -0.386 0.000 0.956 17 L HN -0.058 nan 8.230 nan 0.000 0.463 18 L N 0.030 121.332 121.223 0.131 0.000 2.189 18 L HA -0.229 3.503 4.340 -1.015 0.000 0.214 18 L C 1.963 178.973 176.870 0.234 0.000 1.097 18 L CA 1.051 56.023 54.840 0.220 0.000 0.764 18 L CB -0.761 41.414 42.059 0.195 0.000 0.900 18 L HN 0.362 nan 8.230 nan 0.000 0.436 19 D N -0.801 119.707 120.400 0.181 0.000 2.077 19 D HA -0.229 3.803 4.640 -1.015 0.000 0.197 19 D C 1.620 178.015 176.300 0.159 0.000 0.983 19 D CA 1.033 55.117 54.000 0.140 0.000 0.841 19 D CB -0.352 40.519 40.800 0.118 0.000 0.992 19 D HN 0.337 nan 8.370 nan 0.000 0.450 20 W N 0.610 121.923 121.300 0.021 0.000 2.292 20 W HA -0.334 3.828 4.660 -0.830 0.000 0.304 20 W C 1.964 178.524 176.519 0.068 0.000 1.228 20 W CA 1.586 58.941 57.345 0.017 0.000 1.241 20 W CB -0.564 28.887 29.460 -0.014 0.000 1.142 20 W HN 0.007 nan 8.180 nan 0.000 0.520 21 F N 1.284 121.245 119.950 0.018 0.000 2.039 21 F HA -0.106 4.281 4.527 -0.232 0.000 0.294 21 F C 2.480 178.121 175.800 -0.266 0.000 1.130 21 F CA 2.715 60.590 58.000 -0.210 0.000 1.189 21 F CB -1.342 37.679 39.000 0.036 0.000 0.983 21 F HN -0.071 nan 8.300 nan 0.000 0.471 22 A N 0.524 123.246 122.820 -0.165 0.000 2.042 22 A HA -0.283 3.428 4.320 -1.015 0.000 0.222 22 A C 2.341 179.742 177.584 -0.304 0.000 1.167 22 A CA 2.256 54.141 52.037 -0.253 0.000 0.649 22 A CB -0.938 18.018 19.000 -0.073 0.000 0.809 22 A HN 0.623 nan 8.150 nan 0.000 0.457 23 R N -1.760 118.556 120.500 -0.307 0.000 2.175 23 R HA 0.094 3.825 4.340 -1.015 0.000 0.202 23 R C 1.103 177.159 176.300 -0.406 0.000 1.018 23 R CA 0.981 56.906 56.100 -0.293 0.000 1.029 23 R CB -0.001 30.180 30.300 -0.198 0.000 0.959 23 R HN 0.296 nan 8.270 nan 0.000 0.480 24 E N 1.504 121.315 120.200 -0.648 0.000 2.489 24 E HA 0.017 3.758 4.350 -1.015 0.000 0.204 24 E C -0.038 176.202 176.600 -0.600 0.000 1.006 24 E CA -0.111 55.874 56.400 -0.691 0.000 0.936 24 E CB 0.382 29.420 29.700 -1.103 0.000 1.002 24 E HN 0.350 nan 8.360 nan 0.000 0.488 25 R N 1.706 121.798 120.500 -0.680 0.000 2.697 25 R HA 0.070 3.801 4.340 -1.015 0.000 0.265 25 R C -0.194 175.885 176.300 -0.369 0.000 1.009 25 R CA 0.203 55.943 56.100 -0.600 0.000 1.099 25 R CB 0.571 30.244 30.300 -1.046 0.000 0.965 25 R HN -0.189 nan 8.270 nan 0.000 0.428 26 R N 1.569 121.923 120.500 -0.245 0.000 2.528 26 R HA 0.068 3.799 4.340 -1.015 0.000 0.271 26 R C -0.621 175.542 176.300 -0.229 0.000 1.056 26 R CA -0.466 55.513 56.100 -0.202 0.000 1.117 26 R CB 0.558 30.771 30.300 -0.144 0.000 1.085 26 R HN 0.629 nan 8.270 nan 0.000 0.530 27 D N 1.792 122.060 120.400 -0.220 0.000 2.639 27 D HA 0.166 4.197 4.640 -1.015 0.000 0.233 27 D C -0.556 175.565 176.300 -0.299 0.000 1.161 27 D CA -0.055 53.808 54.000 -0.228 0.000 1.003 27 D CB 0.105 40.799 40.800 -0.177 0.000 1.034 27 D HN 0.167 nan 8.370 nan 0.000 0.514 28 L N 2.152 123.115 121.223 -0.434 0.000 2.418 28 L HA 0.302 4.033 4.340 -1.015 0.000 0.265 28 L C -1.074 175.339 176.870 -0.762 0.000 1.143 28 L CA -1.718 52.655 54.840 -0.779 0.000 0.809 28 L CB 0.801 42.144 42.059 -1.194 0.000 1.124 28 L HN 0.151 nan 8.230 nan 0.000 0.456 29 P HA -0.155 nan 4.420 nan 0.000 0.218 29 P C 0.753 177.991 177.300 -0.103 0.000 1.148 29 P CA 1.307 64.248 63.100 -0.264 0.000 0.822 29 P CB 0.002 31.720 31.700 0.030 0.000 0.784 30 W N -1.037 120.135 121.300 -0.213 0.000 3.256 30 W HA 0.260 4.316 4.660 -1.007 0.000 0.269 30 W C 1.085 177.572 176.519 -0.053 0.000 1.310 30 W CA -0.207 57.026 57.345 -0.186 0.000 1.673 30 W CB -0.994 28.101 29.460 -0.609 0.000 1.115 30 W HN -0.209 nan 8.180 nan 0.000 0.686 31 R N 0.937 121.373 120.500 -0.106 0.000 2.393 31 R HA 0.189 3.920 4.340 -1.015 0.000 0.244 31 R C 1.105 177.395 176.300 -0.017 0.000 0.920 31 R CA -0.128 55.961 56.100 -0.019 0.000 1.076 31 R CB -0.047 30.200 30.300 -0.088 0.000 1.119 31 R HN 0.274 nan 8.270 nan 0.000 0.524 32 K N 1.165 121.566 120.400 0.002 0.000 2.280 32 K HA -0.124 3.588 4.320 -1.015 0.000 0.202 32 K C 0.131 176.761 176.600 0.050 0.000 1.047 32 K CA 1.526 57.826 56.287 0.022 0.000 0.942 32 K CB 0.053 32.584 32.500 0.052 0.000 0.739 32 K HN 0.327 nan 8.250 nan 0.000 0.457 33 D N -2.742 117.706 120.400 0.081 0.000 2.838 33 D HA 0.170 4.201 4.640 -1.015 0.000 0.334 33 D C -0.353 175.997 176.300 0.083 0.000 1.315 33 D CA -0.832 53.214 54.000 0.078 0.000 0.917 33 D CB 0.516 41.369 40.800 0.089 0.000 1.435 33 D HN -0.340 nan 8.370 nan 0.000 0.517 34 R N -0.097 120.439 120.500 0.059 0.000 2.652 34 R HA 0.256 3.987 4.340 -1.015 0.000 0.372 34 R C -0.668 175.629 176.300 -0.006 0.000 1.104 34 R CA -0.518 55.598 56.100 0.027 0.000 1.072 34 R CB -0.761 29.541 30.300 0.003 0.000 1.367 34 R HN 0.509 nan 8.270 nan 0.000 0.577 35 D N 1.426 121.860 120.400 0.056 0.000 2.358 35 D HA 0.081 4.112 4.640 -1.015 0.000 0.258 35 D C -1.470 174.875 176.300 0.074 0.000 1.223 35 D CA -2.024 52.020 54.000 0.072 0.000 0.886 35 D CB 1.510 42.402 40.800 0.153 0.000 1.120 35 D HN -0.104 nan 8.370 nan 0.000 0.482 36 P HA -0.260 nan 4.420 nan 0.000 0.218 36 P C 1.136 178.591 177.300 0.259 0.000 1.165 36 P CA 1.484 64.575 63.100 -0.016 0.000 0.922 36 P CB -0.228 31.427 31.700 -0.076 0.000 0.794 37 Y N 0.961 121.401 120.300 0.232 0.000 2.081 37 Y HA -0.253 3.690 4.550 -1.012 0.000 0.280 37 Y C 2.040 178.131 175.900 0.318 0.000 1.163 37 Y CA 1.908 60.203 58.100 0.326 0.000 1.135 37 Y CB -0.774 37.831 38.460 0.242 0.000 0.970 37 Y HN -0.131 nan 8.280 nan 0.000 0.498 38 K N -0.795 119.693 120.400 0.147 0.000 2.103 38 K HA -0.081 3.630 4.320 -1.015 0.000 0.204 38 K C 2.052 178.805 176.600 0.256 0.000 1.052 38 K CA 1.282 57.663 56.287 0.156 0.000 0.945 38 K CB -0.320 32.392 32.500 0.352 0.000 0.722 38 K HN 0.206 nan 8.250 nan 0.000 0.443 39 V N 0.482 120.520 119.914 0.207 0.000 2.343 39 V HA -0.235 3.276 4.120 -1.015 0.000 0.247 39 V C 1.925 178.122 176.094 0.171 0.000 1.051 39 V CA 1.584 63.971 62.300 0.145 0.000 1.036 39 V CB -0.452 31.424 31.823 0.088 0.000 0.654 39 V HN 0.508 nan 8.190 nan 0.000 0.451 40 W N 0.488 121.795 121.300 0.012 0.000 2.381 40 W HA -0.105 3.943 4.660 -1.019 0.000 0.301 40 W C 2.297 178.821 176.519 0.008 0.000 1.205 40 W CA 1.542 58.922 57.345 0.057 0.000 1.285 40 W CB -0.828 28.726 29.460 0.156 0.000 1.133 40 W HN 0.091 nan 8.180 nan 0.000 0.521 41 V N 1.553 121.438 119.914 -0.049 0.000 2.343 41 V HA -0.320 3.191 4.120 -1.015 0.000 0.247 41 V C 2.744 178.811 176.094 -0.046 0.000 1.051 41 V CA 2.689 64.879 62.300 -0.184 0.000 1.036 41 V CB -1.391 30.275 31.823 -0.261 0.000 0.654 41 V HN 0.374 nan 8.190 nan 0.000 0.451 42 S N -0.330 115.367 115.700 -0.004 0.000 2.402 42 S HA -0.208 3.653 4.470 -1.015 0.000 0.229 42 S C 1.848 176.190 174.600 -0.431 0.000 1.021 42 S CA 1.547 59.474 58.200 -0.455 0.000 0.974 42 S CB -0.330 62.156 63.200 -1.191 0.000 0.800 42 S HN 0.538 nan 8.310 nan 0.000 0.484 43 E N 0.950 121.057 120.200 -0.154 0.000 2.216 43 E HA 0.073 3.814 4.350 -1.015 0.000 0.192 43 E C 1.861 178.523 176.600 0.102 0.000 0.988 43 E CA 0.663 57.065 56.400 0.003 0.000 0.834 43 E CB -0.320 29.447 29.700 0.111 0.000 0.772 43 E HN 0.438 nan 8.360 nan 0.000 0.479 44 V N 0.232 120.209 119.914 0.105 0.000 2.346 44 V HA -0.206 3.305 4.120 -1.015 0.000 0.244 44 V C 2.257 178.430 176.094 0.132 0.000 1.037 44 V CA 1.611 63.994 62.300 0.138 0.000 1.029 44 V CB -0.404 31.476 31.823 0.094 0.000 0.663 44 V HN 0.323 nan 8.190 nan 0.000 0.454 45 M N -0.629 118.993 119.600 0.036 0.000 2.149 45 M HA -0.188 3.683 4.480 -1.015 0.000 0.261 45 M C 2.075 178.262 176.300 -0.188 0.000 1.064 45 M CA 1.896 57.099 55.300 -0.162 0.000 1.102 45 M CB -0.420 31.968 32.600 -0.352 0.000 1.369 45 M HN 0.278 nan 8.290 nan 0.000 0.408 46 L N -0.382 120.730 121.223 -0.185 0.000 2.395 46 L HA -0.085 3.646 4.340 -1.015 0.000 0.218 46 L C 0.721 177.533 176.870 -0.097 0.000 1.130 46 L CA 0.183 54.923 54.840 -0.166 0.000 0.826 46 L CB -0.318 41.626 42.059 -0.192 0.000 0.941 46 L HN 0.299 nan 8.230 nan 0.000 0.451 47 Q N 1.478 121.256 119.800 -0.036 0.000 2.242 47 Q HA -0.055 3.677 4.340 -1.015 0.000 0.284 47 Q C -0.020 175.973 176.000 -0.011 0.000 1.130 47 Q CA 0.135 55.926 55.803 -0.020 0.000 0.940 47 Q CB 0.235 29.011 28.738 0.063 0.000 1.146 47 Q HN 0.131 nan 8.270 nan 0.000 0.388 48 Q N -0.084 119.687 119.800 -0.049 0.000 2.494 48 Q HA -0.166 3.565 4.340 -1.015 0.000 0.272 48 Q C -0.961 174.974 176.000 -0.109 0.000 1.145 48 Q CA 1.234 57.011 55.803 -0.043 0.000 0.943 48 Q CB -2.086 26.694 28.738 0.070 0.000 1.338 48 Q HN 0.732 nan 8.270 nan 0.000 0.492 49 T N 0.050 114.537 114.554 -0.111 0.000 3.172 49 T HA 0.374 4.115 4.350 -1.015 0.000 0.320 49 T C 0.020 174.664 174.700 -0.093 0.000 1.085 49 T CA -0.914 61.105 62.100 -0.134 0.000 1.052 49 T CB 1.661 70.415 68.868 -0.190 0.000 1.107 49 T HN 0.073 nan 8.240 nan 0.000 0.458 50 R N 1.705 122.166 120.500 -0.064 0.000 2.679 50 R HA 0.182 3.913 4.340 -1.015 0.000 0.268 50 R C 1.367 177.681 176.300 0.023 0.000 1.044 50 R CA -0.216 55.873 56.100 -0.018 0.000 1.105 50 R CB 0.562 30.857 30.300 -0.009 0.000 0.989 50 R HN 0.434 nan 8.270 nan 0.000 0.447 51 V N 2.135 122.094 119.914 0.075 0.000 2.278 51 V HA -0.294 3.218 4.120 -1.015 0.000 0.251 51 V C 2.522 178.722 176.094 0.178 0.000 1.062 51 V CA 2.153 64.566 62.300 0.189 0.000 1.038 51 V CB -0.525 31.421 31.823 0.206 0.000 0.646 51 V HN 0.789 nan 8.190 nan 0.000 0.447 52 E N -0.120 120.137 120.200 0.095 0.000 2.106 52 E HA -0.190 3.551 4.350 -1.015 0.000 0.192 52 E C 2.206 178.860 176.600 0.089 0.000 0.984 52 E CA 1.810 58.254 56.400 0.073 0.000 0.806 52 E CB -0.172 29.552 29.700 0.038 0.000 0.750 52 E HN 0.640 nan 8.360 nan 0.000 0.458 53 T N 0.782 115.382 114.554 0.077 0.000 2.708 53 T HA -0.111 3.630 4.350 -1.015 0.000 0.266 53 T C 1.997 176.802 174.700 0.174 0.000 1.037 53 T CA 1.492 63.648 62.100 0.094 0.000 1.146 53 T CB -0.201 68.679 68.868 0.020 0.000 0.865 53 T HN 0.025 nan 8.240 nan 0.000 0.435 54 V N 1.187 121.184 119.914 0.138 0.000 2.548 54 V HA -0.083 3.428 4.120 -1.015 0.000 0.249 54 V C 2.346 178.648 176.094 0.346 0.000 1.055 54 V CA 1.008 63.404 62.300 0.160 0.000 1.065 54 V CB -0.659 31.168 31.823 0.008 0.000 0.681 54 V HN 0.478 nan 8.190 nan 0.000 0.462 55 I N 0.503 121.284 120.570 0.353 0.000 2.091 55 I HA -0.263 3.299 4.170 -1.015 0.000 0.240 55 I C -0.016 176.278 176.117 0.296 0.000 1.046 55 I CA 2.201 63.697 61.300 0.328 0.000 1.306 55 I CB -1.593 36.477 38.000 0.116 0.000 1.018 55 I HN 0.383 nan 8.210 nan 0.000 0.404 56 P HA -0.167 nan 4.420 nan 0.000 0.216 56 P C 1.491 178.832 177.300 0.068 0.000 1.153 56 P CA 1.628 64.767 63.100 0.065 0.000 0.848 56 P CB -0.165 31.492 31.700 -0.070 0.000 0.787 57 Y N -1.788 118.570 120.300 0.097 0.000 2.165 57 Y HA -0.179 3.760 4.550 -1.017 0.000 0.286 57 Y C 2.420 178.415 175.900 0.158 0.000 1.155 57 Y CA 1.272 59.409 58.100 0.062 0.000 1.164 57 Y CB -1.278 37.114 38.460 -0.114 0.000 0.978 57 Y HN -0.123 nan 8.280 nan 0.000 0.513 58 F N 0.978 121.069 119.950 0.235 0.000 2.134 58 F HA -0.193 3.734 4.527 -1.001 0.000 0.299 58 F C 2.054 178.015 175.800 0.268 0.000 1.097 58 F CA 1.811 59.956 58.000 0.241 0.000 1.264 58 F CB -0.274 38.948 39.000 0.370 0.000 1.001 58 F HN 0.048 nan 8.300 nan 0.000 0.479 59 E N -0.557 119.812 120.200 0.281 0.000 2.107 59 E HA -0.200 3.541 4.350 -1.015 0.000 0.191 59 E C 2.222 178.852 176.600 0.049 0.000 0.982 59 E CA 0.993 57.471 56.400 0.130 0.000 0.809 59 E CB -0.180 29.611 29.700 0.151 0.000 0.756 59 E HN 0.569 nan 8.360 nan 0.000 0.459 60 Q N -0.091 119.753 119.800 0.073 0.000 2.050 60 Q HA -0.172 3.559 4.340 -1.015 0.000 0.202 60 Q C 2.012 178.036 176.000 0.041 0.000 0.980 60 Q CA 1.241 57.064 55.803 0.033 0.000 0.840 60 Q CB -0.176 28.582 28.738 0.033 0.000 0.898 60 Q HN 0.245 nan 8.270 nan 0.000 0.424 61 F N 1.052 121.002 119.950 0.001 0.000 2.102 61 F HA -0.241 3.678 4.527 -1.014 0.000 0.298 61 F C 1.928 177.746 175.800 0.030 0.000 1.105 61 F CA 1.067 59.122 58.000 0.092 0.000 1.239 61 F CB 0.044 39.136 39.000 0.153 0.000 0.991 61 F HN 0.045 nan 8.300 nan 0.000 0.474 62 I N 0.059 120.674 120.570 0.074 0.000 2.676 62 I HA -0.199 3.362 4.170 -1.015 0.000 0.259 62 I C 1.901 177.993 176.117 -0.042 0.000 1.194 62 I CA 1.237 62.535 61.300 -0.003 0.000 1.473 62 I CB -1.553 36.308 38.000 -0.233 0.000 1.096 62 I HN 0.207 nan 8.210 nan 0.000 0.443 63 D N 1.142 121.488 120.400 -0.090 0.000 2.097 63 D HA -0.169 3.862 4.640 -1.015 0.000 0.195 63 D C 2.335 178.507 176.300 -0.213 0.000 0.989 63 D CA 1.372 55.304 54.000 -0.113 0.000 0.827 63 D CB 0.204 40.944 40.800 -0.099 0.000 0.966 63 D HN 0.228 nan 8.370 nan 0.000 0.456 64 R N -1.211 119.040 120.500 -0.415 0.000 2.161 64 R HA 0.071 3.802 4.340 -1.015 0.000 0.213 64 R C 0.057 175.816 176.300 -0.901 0.000 1.055 64 R CA 0.432 56.075 56.100 -0.762 0.000 0.996 64 R CB 0.213 29.793 30.300 -1.200 0.000 0.901 64 R HN 0.195 nan 8.270 nan 0.000 0.456 65 F N 0.154 120.002 119.950 -0.171 0.000 2.622 65 F HA 0.366 4.283 4.527 -1.016 0.000 0.338 65 F C -2.032 173.806 175.800 0.063 0.000 1.334 65 F CA -2.898 55.036 58.000 -0.110 0.000 1.179 65 F CB 1.567 40.426 39.000 -0.236 0.000 1.471 65 F HN -0.228 nan 8.300 nan 0.000 0.576 66 P HA -0.047 nan 4.420 nan 0.000 0.222 66 P C 0.570 177.952 177.300 0.137 0.000 1.147 66 P CA 1.289 64.476 63.100 0.145 0.000 0.790 66 P CB 0.241 31.972 31.700 0.051 0.000 0.780 67 T N -5.258 109.238 114.554 -0.096 0.000 2.887 67 T HA 0.331 4.072 4.350 -1.015 0.000 0.292 67 T C 0.675 174.751 174.700 -1.040 0.000 1.087 67 T CA -0.897 60.905 62.100 -0.496 0.000 1.009 67 T CB 0.894 69.638 68.868 -0.206 0.000 1.203 67 T HN -0.128 nan 8.240 nan 0.000 0.518 68 L N 0.358 120.924 121.223 -1.095 0.000 2.083 68 L HA 0.003 3.734 4.340 -1.015 0.000 0.209 68 L C 2.379 179.123 176.870 -0.210 0.000 1.083 68 L CA 1.773 56.248 54.840 -0.609 0.000 0.752 68 L CB -0.357 41.623 42.059 -0.132 0.000 0.899 68 L HN 0.787 nan 8.230 nan 0.000 0.433 69 E N 0.076 120.183 120.200 -0.155 0.000 2.072 69 E HA -0.135 3.606 4.350 -1.015 0.000 0.190 69 E C 2.203 178.788 176.600 -0.026 0.000 0.982 69 E CA 1.314 57.683 56.400 -0.051 0.000 0.803 69 E CB -0.406 29.276 29.700 -0.030 0.000 0.755 69 E HN 0.606 nan 8.360 nan 0.000 0.453 70 A N 0.605 123.406 122.820 -0.032 0.000 1.908 70 A HA -0.181 3.531 4.320 -1.015 0.000 0.218 70 A C 2.168 179.815 177.584 0.105 0.000 1.181 70 A CA 1.448 53.522 52.037 0.063 0.000 0.627 70 A CB -0.697 18.358 19.000 0.092 0.000 0.818 70 A HN 0.283 nan 8.150 nan 0.000 0.445 71 L N -0.389 120.842 121.223 0.014 0.000 2.056 71 L HA -0.008 3.723 4.340 -1.015 0.000 0.207 71 L C 2.706 179.540 176.870 -0.061 0.000 1.078 71 L CA 2.123 56.849 54.840 -0.191 0.000 0.749 71 L CB -0.763 41.248 42.059 -0.080 0.000 0.901 71 L HN 0.340 nan 8.230 nan 0.000 0.433 72 A N -1.062 121.772 122.820 0.022 0.000 1.940 72 A HA -0.211 3.501 4.320 -1.015 0.000 0.219 72 A C 1.802 179.426 177.584 0.066 0.000 1.176 72 A CA 1.945 54.018 52.037 0.059 0.000 0.631 72 A CB -0.718 18.302 19.000 0.033 0.000 0.814 72 A HN 0.552 nan 8.150 nan 0.000 0.446 73 D N -0.194 120.238 120.400 0.052 0.000 2.319 73 D HA 0.355 4.386 4.640 -1.015 0.000 0.230 73 D C 0.424 176.773 176.300 0.081 0.000 1.094 73 D CA 0.699 54.733 54.000 0.056 0.000 0.856 73 D CB 0.066 40.890 40.800 0.041 0.000 0.915 73 D HN 0.427 nan 8.370 nan 0.000 0.517 74 A N 0.520 123.402 122.820 0.103 0.000 2.312 74 A HA 0.330 4.041 4.320 -1.015 0.000 0.328 74 A C -0.112 177.551 177.584 0.131 0.000 1.158 74 A CA -0.613 51.483 52.037 0.098 0.000 0.821 74 A CB 1.286 20.314 19.000 0.045 0.000 1.170 74 A HN -0.084 nan 8.150 nan 0.000 0.490 75 D N 0.177 120.639 120.400 0.102 0.000 2.362 75 D HA 0.080 4.111 4.640 -1.015 0.000 0.242 75 D C 1.337 177.699 176.300 0.104 0.000 1.132 75 D CA 0.442 54.512 54.000 0.117 0.000 0.907 75 D CB 0.792 41.643 40.800 0.085 0.000 1.195 75 D HN 0.682 nan 8.370 nan 0.000 0.429 76 E N 1.638 121.945 120.200 0.179 0.000 2.070 76 E HA -0.312 3.429 4.350 -1.015 0.000 0.197 76 E C 0.785 177.419 176.600 0.058 0.000 1.004 76 E CA 1.911 58.389 56.400 0.131 0.000 0.805 76 E CB -0.031 29.755 29.700 0.144 0.000 0.744 76 E HN 0.559 nan 8.360 nan 0.000 0.451 77 D N 0.546 121.007 120.400 0.103 0.000 2.149 77 D HA -0.227 3.804 4.640 -1.015 0.000 0.194 77 D C 1.835 178.198 176.300 0.104 0.000 1.001 77 D CA 1.612 55.693 54.000 0.136 0.000 0.849 77 D CB -0.262 40.633 40.800 0.159 0.000 0.939 77 D HN 0.414 nan 8.370 nan 0.000 0.449 78 E N 0.043 120.292 120.200 0.083 0.000 2.072 78 E HA -0.139 3.603 4.350 -1.015 0.000 0.191 78 E C 1.866 178.580 176.600 0.189 0.000 0.985 78 E CA 0.847 57.322 56.400 0.125 0.000 0.801 78 E CB 0.224 30.015 29.700 0.151 0.000 0.750 78 E HN 0.114 nan 8.360 nan 0.000 0.452 79 V N 1.131 121.052 119.914 0.012 0.000 2.591 79 V HA -0.176 3.336 4.120 -1.015 0.000 0.249 79 V C 2.344 178.548 176.094 0.184 0.000 1.053 79 V CA 1.001 63.264 62.300 -0.061 0.000 1.068 79 V CB -0.308 31.175 31.823 -0.566 0.000 0.689 79 V HN 0.329 nan 8.190 nan 0.000 0.462 80 L N -0.044 121.263 121.223 0.139 0.000 2.109 80 L HA -0.108 3.623 4.340 -1.015 0.000 0.207 80 L C 2.611 179.672 176.870 0.318 0.000 1.086 80 L CA 1.350 56.322 54.840 0.219 0.000 0.760 80 L CB -0.220 41.913 42.059 0.122 0.000 0.910 80 L HN 0.279 nan 8.230 nan 0.000 0.437 81 K N 0.641 121.191 120.400 0.250 0.000 2.103 81 K HA -0.146 3.565 4.320 -1.015 0.000 0.207 81 K C 1.821 178.614 176.600 0.322 0.000 1.048 81 K CA 1.680 58.111 56.287 0.239 0.000 0.930 81 K CB -0.322 32.264 32.500 0.143 0.000 0.716 81 K HN 0.285 nan 8.250 nan 0.000 0.444 82 A N -0.629 122.429 122.820 0.396 0.000 2.066 82 A HA -0.109 3.603 4.320 -1.015 0.000 0.218 82 A C 1.846 179.831 177.584 0.669 0.000 1.157 82 A CA 0.946 53.281 52.037 0.496 0.000 0.670 82 A CB -0.750 18.598 19.000 0.580 0.000 0.804 82 A HN 0.629 nan 8.150 nan 0.000 0.453 83 W N 0.818 122.372 121.300 0.424 0.000 3.278 83 W HA 0.181 4.233 4.660 -1.014 0.000 0.308 83 W C 0.155 176.919 176.519 0.407 0.000 1.253 83 W CA -0.201 57.353 57.345 0.349 0.000 1.759 83 W CB 0.103 29.731 29.460 0.280 0.000 1.093 83 W HN 0.366 nan 8.180 nan 0.000 0.648 84 E N 0.360 120.910 120.200 0.583 0.000 2.491 84 E HA 0.184 3.925 4.350 -1.015 0.000 0.250 84 E C 1.084 177.993 176.600 0.514 0.000 1.061 84 E CA 1.326 58.034 56.400 0.513 0.000 0.942 84 E CB -0.043 29.875 29.700 0.364 0.000 0.957 84 E HN 0.373 nan 8.360 nan 0.000 0.480 85 G N 3.888 112.994 108.800 0.510 0.000 2.218 85 G HA2 -0.269 3.082 3.960 -1.015 0.000 0.216 85 G HA3 -0.269 3.082 3.960 -1.015 0.000 0.216 85 G C 0.786 175.714 174.900 0.046 0.000 0.994 85 G CA 0.151 45.464 45.100 0.354 0.000 0.637 85 G HN 0.576 nan 8.290 nan 0.000 0.505 86 L N 0.856 121.873 121.223 -0.343 0.000 2.156 86 L HA 0.396 4.127 4.340 -1.015 0.000 0.208 86 L C 1.816 178.365 176.870 -0.534 0.000 1.095 86 L CA 1.720 56.099 54.840 -0.767 0.000 0.770 86 L CB -0.387 40.821 42.059 -1.420 0.000 0.914 86 L HN 1.345 nan 8.230 nan 0.000 0.439 87 G N -1.942 106.457 108.800 -0.668 0.000 2.710 87 G HA2 -0.282 3.070 3.960 -1.015 0.000 0.668 87 G HA3 -0.282 3.070 3.960 -1.015 0.000 0.668 87 G C -0.304 174.262 174.900 -0.556 0.000 1.320 87 G CA -0.383 44.293 45.100 -0.707 0.000 0.860 87 G HN 0.222 nan 8.290 nan 0.000 0.538 88 Y N -0.882 119.232 120.300 -0.309 0.000 2.986 88 Y HA -0.284 3.657 4.550 -1.015 0.000 0.200 88 Y C 1.642 177.463 175.900 -0.130 0.000 1.324 88 Y CA 0.770 58.796 58.100 -0.122 0.000 0.825 88 Y CB -1.213 37.216 38.460 -0.051 0.000 1.251 88 Y HN 0.613 nan 8.280 nan 0.000 0.413 89 Y N -0.321 120.121 120.300 0.237 0.000 2.509 89 Y HA -0.231 3.711 4.550 -1.013 0.000 0.293 89 Y C 2.335 178.148 175.900 -0.145 0.000 1.133 89 Y CA 1.107 59.237 58.100 0.050 0.000 1.283 89 Y CB -0.060 38.459 38.460 0.097 0.000 1.001 89 Y HN 0.560 nan 8.280 nan 0.000 0.555 90 S N 0.789 116.510 115.700 0.035 0.000 2.419 90 S HA -0.219 3.643 4.470 -1.015 0.000 0.233 90 S C 2.015 176.519 174.600 -0.159 0.000 1.016 90 S CA 1.002 59.162 58.200 -0.066 0.000 0.974 90 S CB -0.187 62.976 63.200 -0.062 0.000 0.786 90 S HN 0.465 nan 8.310 nan 0.000 0.492 91 R N -0.080 120.308 120.500 -0.186 0.000 2.127 91 R HA -0.011 3.720 4.340 -1.015 0.000 0.238 91 R C 2.293 178.284 176.300 -0.516 0.000 1.134 91 R CA 1.473 57.428 56.100 -0.243 0.000 0.975 91 R CB -0.637 29.616 30.300 -0.078 0.000 0.865 91 R HN 0.428 nan 8.270 nan 0.000 0.447 92 V N 0.586 119.983 119.914 -0.863 0.000 2.878 92 V HA -0.068 3.444 4.120 -1.015 0.000 0.250 92 V C 2.029 177.881 176.094 -0.403 0.000 1.075 92 V CA 1.089 62.800 62.300 -0.982 0.000 1.096 92 V CB -0.187 30.761 31.823 -1.459 0.000 0.724 92 V HN 0.223 nan 8.190 nan 0.000 0.467 93 R N 0.223 120.566 120.500 -0.261 0.000 2.075 93 R HA -0.115 3.617 4.340 -1.015 0.000 0.232 93 R C 2.023 178.273 176.300 -0.083 0.000 1.126 93 R CA 1.990 58.029 56.100 -0.102 0.000 0.963 93 R CB -0.445 29.809 30.300 -0.076 0.000 0.858 93 R HN 0.639 nan 8.270 nan 0.000 0.435 94 N N 0.509 119.139 118.700 -0.116 0.000 2.188 94 N HA -0.159 3.973 4.740 -1.015 0.000 0.184 94 N C 1.708 177.192 175.510 -0.044 0.000 1.018 94 N CA 0.597 53.605 53.050 -0.069 0.000 0.858 94 N CB -0.021 38.428 38.487 -0.062 0.000 0.989 94 N HN 0.042 nan 8.380 nan 0.000 0.426 95 L N 0.413 121.564 121.223 -0.119 0.000 2.109 95 L HA -0.082 3.649 4.340 -1.015 0.000 0.207 95 L C 2.041 178.850 176.870 -0.101 0.000 1.086 95 L CA 1.631 56.370 54.840 -0.168 0.000 0.760 95 L CB -0.706 41.142 42.059 -0.351 0.000 0.910 95 L HN 0.259 nan 8.230 nan 0.000 0.437 96 H N -0.913 118.046 119.070 -0.185 0.000 2.387 96 H HA -0.148 3.799 4.556 -1.015 0.000 0.299 96 H C 1.927 177.206 175.328 -0.081 0.000 1.099 96 H CA 1.069 57.032 56.048 -0.142 0.000 1.315 96 H CB 0.405 30.080 29.762 -0.144 0.000 1.380 96 H HN 0.523 nan 8.280 nan 0.000 0.513 97 A N 0.746 123.535 122.820 -0.052 0.000 1.898 97 A HA 0.083 3.795 4.320 -1.015 0.000 0.214 97 A C 2.511 180.105 177.584 0.016 0.000 1.183 97 A CA 0.943 52.929 52.037 -0.084 0.000 0.622 97 A CB -0.789 18.168 19.000 -0.071 0.000 0.824 97 A HN 0.521 nan 8.150 nan 0.000 0.444 98 A N -0.764 122.113 122.820 0.095 0.000 2.125 98 A HA 0.100 3.811 4.320 -1.015 0.000 0.219 98 A C 2.096 179.909 177.584 0.382 0.000 1.156 98 A CA 1.677 53.873 52.037 0.266 0.000 0.671 98 A CB -0.487 18.782 19.000 0.449 0.000 0.794 98 A HN 0.332 nan 8.150 nan 0.000 0.459 99 V N -0.622 119.410 119.914 0.197 0.000 2.426 99 V HA -0.119 3.392 4.120 -1.015 0.000 0.242 99 V C 2.297 178.471 176.094 0.134 0.000 1.036 99 V CA 1.747 64.167 62.300 0.199 0.000 1.044 99 V CB -0.385 31.482 31.823 0.073 0.000 0.688 99 V HN 0.501 nan 8.190 nan 0.000 0.462 100 K N -0.008 120.416 120.400 0.040 0.000 2.127 100 K HA -0.311 3.400 4.320 -1.015 0.000 0.208 100 K C 2.044 178.646 176.600 0.003 0.000 1.047 100 K CA 2.269 58.547 56.287 -0.016 0.000 0.927 100 K CB -0.064 32.366 32.500 -0.117 0.000 0.716 100 K HN 0.604 nan 8.250 nan 0.000 0.450 101 E N 0.579 120.796 120.200 0.027 0.000 2.016 101 E HA -0.129 3.613 4.350 -1.015 0.000 0.190 101 E C 1.730 178.327 176.600 -0.005 0.000 0.985 101 E CA 1.185 57.580 56.400 -0.009 0.000 0.802 101 E CB -0.145 29.560 29.700 0.009 0.000 0.762 101 E HN -0.037 nan 8.360 nan 0.000 0.448 102 V N 1.387 121.397 119.914 0.159 0.000 2.636 102 V HA -0.277 3.234 4.120 -1.015 0.000 0.258 102 V C 2.363 178.580 176.094 0.204 0.000 1.092 102 V CA 2.128 64.607 62.300 0.299 0.000 1.110 102 V CB -0.636 31.464 31.823 0.461 0.000 0.685 102 V HN 0.300 nan 8.190 nan 0.000 0.481 103 K N -0.196 120.273 120.400 0.115 0.000 2.057 103 K HA -0.081 3.630 4.320 -1.015 0.000 0.209 103 K C 2.265 178.878 176.600 0.022 0.000 1.028 103 K CA 1.438 57.770 56.287 0.076 0.000 0.950 103 K CB -0.410 32.122 32.500 0.054 0.000 0.784 103 K HN 0.392 nan 8.250 nan 0.000 0.448 104 T N 1.478 116.024 114.554 -0.014 0.000 2.721 104 T HA -0.219 3.522 4.350 -1.015 0.000 0.268 104 T C 1.868 176.521 174.700 -0.079 0.000 1.038 104 T CA 1.802 63.877 62.100 -0.041 0.000 1.145 104 T CB -0.184 68.652 68.868 -0.054 0.000 0.858 104 T HN 0.321 nan 8.240 nan 0.000 0.459 105 R N -0.457 119.946 120.500 -0.162 0.000 2.087 105 R HA 0.079 3.810 4.340 -1.015 0.000 0.216 105 R C 1.229 177.365 176.300 -0.274 0.000 1.114 105 R CA 0.688 56.594 56.100 -0.324 0.000 1.002 105 R CB 0.059 29.985 30.300 -0.623 0.000 0.903 105 R HN 0.462 nan 8.270 nan 0.000 0.445 106 Y N -0.533 119.797 120.300 0.049 0.000 2.555 106 Y HA 0.304 4.246 4.550 -1.014 0.000 0.259 106 Y C 1.215 177.144 175.900 0.048 0.000 1.179 106 Y CA -0.119 58.010 58.100 0.048 0.000 1.230 106 Y CB 1.442 39.939 38.460 0.062 0.000 1.146 106 Y HN 0.476 nan 8.280 nan 0.000 0.526 107 G N 0.466 109.353 108.800 0.145 0.000 2.220 107 G HA2 -0.265 3.086 3.960 -1.015 0.000 0.269 107 G HA3 -0.265 3.086 3.960 -1.015 0.000 0.269 107 G C 1.105 176.069 174.900 0.107 0.000 0.977 107 G CA 0.278 45.439 45.100 0.102 0.000 0.634 107 G HN 1.031 nan 8.290 nan 0.000 0.539 108 G N -1.250 107.642 108.800 0.153 0.000 2.273 108 G HA2 -0.057 3.294 3.960 -1.015 0.000 0.162 108 G HA3 -0.057 3.294 3.960 -1.015 0.000 0.162 108 G C 0.067 175.066 174.900 0.166 0.000 1.006 108 G CA 0.909 46.094 45.100 0.143 0.000 0.704 108 G HN 0.982 nan 8.290 nan 0.000 0.487 109 K N 1.414 121.916 120.400 0.171 0.000 2.183 109 K HA 0.595 4.306 4.320 -1.015 0.000 0.274 109 K C 0.186 176.874 176.600 0.147 0.000 1.009 109 K CA -0.520 55.852 56.287 0.143 0.000 0.888 109 K CB 1.464 34.013 32.500 0.081 0.000 1.078 109 K HN -0.046 nan 8.250 nan 0.000 0.459 110 V N 7.344 127.358 119.914 0.167 0.000 2.446 110 V HA 0.080 3.591 4.120 -1.015 0.000 0.276 110 V C -2.000 174.065 176.094 -0.048 0.000 1.030 110 V CA -1.480 60.886 62.300 0.109 0.000 1.033 110 V CB 0.533 32.418 31.823 0.102 0.000 0.993 110 V HN 0.808 nan 8.190 nan 0.000 0.477 111 P HA -0.017 nan 4.420 nan 0.000 0.268 111 P C 0.054 177.161 177.300 -0.321 0.000 1.189 111 P CA 0.357 63.284 63.100 -0.288 0.000 0.771 111 P CB 0.398 31.963 31.700 -0.224 0.000 0.822 112 D N -0.598 119.568 120.400 -0.390 0.000 2.500 112 D HA 0.053 4.084 4.640 -1.015 0.000 0.217 112 D C -0.232 175.912 176.300 -0.260 0.000 1.159 112 D CA 0.127 53.837 54.000 -0.482 0.000 0.828 112 D CB -0.247 39.969 40.800 -0.972 0.000 1.039 112 D HN 0.304 nan 8.370 nan 0.000 0.512 113 D N 1.693 121.980 120.400 -0.188 0.000 2.316 113 D HA 0.151 4.182 4.640 -1.015 0.000 0.245 113 D C -1.485 174.805 176.300 -0.017 0.000 1.171 113 D CA -1.884 52.059 54.000 -0.096 0.000 0.856 113 D CB 2.130 42.876 40.800 -0.090 0.000 1.090 113 D HN -0.289 nan 8.370 nan 0.000 0.476 114 P HA -0.203 nan 4.420 nan 0.000 0.217 114 P C 0.506 177.843 177.300 0.062 0.000 1.162 114 P CA 1.352 64.490 63.100 0.062 0.000 0.901 114 P CB 0.183 31.902 31.700 0.033 0.000 0.793 115 D N -1.517 118.900 120.400 0.027 0.000 2.144 115 D HA -0.134 3.897 4.640 -1.015 0.000 0.199 115 D C 2.328 178.646 176.300 0.029 0.000 0.984 115 D CA 1.789 55.800 54.000 0.019 0.000 0.834 115 D CB -0.372 40.433 40.800 0.008 0.000 0.955 115 D HN 0.253 nan 8.370 nan 0.000 0.465 116 E N -0.070 120.151 120.200 0.034 0.000 2.216 116 E HA -0.094 3.647 4.350 -1.015 0.000 0.192 116 E C 1.622 178.288 176.600 0.110 0.000 0.988 116 E CA 0.474 56.906 56.400 0.053 0.000 0.834 116 E CB -0.870 28.821 29.700 -0.015 0.000 0.772 116 E HN 0.339 nan 8.360 nan 0.000 0.479 117 F N 0.944 120.844 119.950 -0.084 0.000 2.149 117 F HA 0.102 4.020 4.527 -1.016 0.000 0.294 117 F C 2.549 178.290 175.800 -0.099 0.000 1.095 117 F CA 1.518 59.443 58.000 -0.125 0.000 1.276 117 F CB -0.364 38.532 39.000 -0.173 0.000 1.023 117 F HN 0.169 nan 8.300 nan 0.000 0.480 118 S N 0.103 115.712 115.700 -0.151 0.000 2.584 118 S HA -0.095 3.766 4.470 -1.015 0.000 0.240 118 S C 1.750 176.261 174.600 -0.149 0.000 0.975 118 S CA 0.628 58.700 58.200 -0.215 0.000 0.949 118 S CB -0.611 62.536 63.200 -0.087 0.000 0.761 118 S HN 0.479 nan 8.310 nan 0.000 0.536 119 R N -0.194 120.246 120.500 -0.099 0.000 2.334 119 R HA 0.318 4.049 4.340 -1.015 0.000 0.212 119 R C -0.058 176.220 176.300 -0.037 0.000 0.897 119 R CA -0.042 56.033 56.100 -0.041 0.000 1.056 119 R CB 0.151 30.458 30.300 0.012 0.000 1.046 119 R HN 0.352 nan 8.270 nan 0.000 0.513 120 L N 2.067 123.244 121.223 -0.077 0.000 2.395 120 L HA 0.216 3.947 4.340 -1.015 0.000 0.269 120 L C 0.256 177.106 176.870 -0.034 0.000 1.133 120 L CA -0.620 54.209 54.840 -0.019 0.000 0.812 120 L CB 0.520 42.596 42.059 0.028 0.000 1.125 120 L HN -0.106 nan 8.230 nan 0.000 0.452 121 K N 1.842 122.250 120.400 0.014 0.000 2.485 121 K HA 0.153 3.865 4.320 -1.015 0.000 0.277 121 K C 1.081 177.694 176.600 0.023 0.000 0.990 121 K CA 0.625 56.913 56.287 0.001 0.000 0.994 121 K CB 0.153 32.651 32.500 -0.003 0.000 0.906 121 K HN 0.954 nan 8.250 nan 0.000 0.488 122 G N 0.855 109.651 108.800 -0.007 0.000 2.253 122 G HA2 -0.271 3.080 3.960 -1.015 0.000 0.251 122 G HA3 -0.271 3.080 3.960 -1.015 0.000 0.251 122 G C 0.105 175.015 174.900 0.017 0.000 0.998 122 G CA 0.029 45.137 45.100 0.014 0.000 0.621 122 G HN 0.424 nan 8.290 nan 0.000 0.524 123 V N 2.327 122.205 119.914 -0.060 0.000 2.338 123 V HA 0.628 4.139 4.120 -1.015 0.000 0.255 123 V C 1.294 177.308 176.094 -0.132 0.000 1.082 123 V CA 0.190 62.378 62.300 -0.187 0.000 0.951 123 V CB 0.412 31.901 31.823 -0.557 0.000 1.102 123 V HN 0.681 nan 8.190 nan 0.000 0.489 124 G N 5.532 114.302 108.800 -0.050 0.000 2.606 124 G HA2 0.470 3.822 3.960 -1.015 0.000 0.262 124 G HA3 0.470 3.822 3.960 -1.015 0.000 0.262 124 G C -1.729 173.168 174.900 -0.006 0.000 1.394 124 G CA -0.918 44.172 45.100 -0.017 0.000 1.044 124 G HN 0.515 nan 8.290 nan 0.000 0.553 125 P HA -0.036 nan 4.420 nan 0.000 0.220 125 P C 1.276 178.615 177.300 0.064 0.000 1.152 125 P CA 0.614 63.738 63.100 0.039 0.000 0.812 125 P CB 0.023 31.755 31.700 0.053 0.000 0.792 126 Y N 1.013 121.318 120.300 0.010 0.000 2.114 126 Y HA -0.203 3.734 4.550 -1.021 0.000 0.284 126 Y C 2.051 177.972 175.900 0.034 0.000 1.143 126 Y CA 2.229 60.340 58.100 0.019 0.000 1.135 126 Y CB -1.264 37.204 38.460 0.013 0.000 0.980 126 Y HN -0.132 nan 8.280 nan 0.000 0.499 127 T N 0.007 114.500 114.554 -0.101 0.000 2.746 127 T HA -0.172 3.569 4.350 -1.015 0.000 0.267 127 T C 2.101 176.771 174.700 -0.050 0.000 1.039 127 T CA 1.559 63.582 62.100 -0.128 0.000 1.142 127 T CB -0.836 68.057 68.868 0.042 0.000 0.866 127 T HN 0.225 nan 8.240 nan 0.000 0.444 128 V N 1.642 121.544 119.914 -0.020 0.000 2.252 128 V HA -0.192 3.319 4.120 -1.015 0.000 0.249 128 V C 2.882 179.010 176.094 0.058 0.000 1.056 128 V CA 2.188 64.573 62.300 0.141 0.000 1.022 128 V CB -1.437 30.426 31.823 0.066 0.000 0.641 128 V HN 0.612 nan 8.190 nan 0.000 0.445 129 G N -0.752 108.014 108.800 -0.058 0.000 2.459 129 G HA2 -0.241 3.110 3.960 -1.015 0.000 0.217 129 G HA3 -0.241 3.110 3.960 -1.015 0.000 0.217 129 G C 1.772 176.583 174.900 -0.149 0.000 1.183 129 G CA 1.238 46.283 45.100 -0.092 0.000 0.776 129 G HN 0.646 nan 8.290 nan 0.000 0.552 130 A N -0.107 122.525 122.820 -0.314 0.000 1.877 130 A HA 0.098 3.809 4.320 -1.015 0.000 0.216 130 A C 2.629 180.132 177.584 -0.134 0.000 1.186 130 A CA 1.995 53.852 52.037 -0.299 0.000 0.620 130 A CB -0.662 17.994 19.000 -0.573 0.000 0.822 130 A HN 0.281 nan 8.150 nan 0.000 0.443 131 V N 0.173 120.038 119.914 -0.081 0.000 2.323 131 V HA -0.190 3.321 4.120 -1.015 0.000 0.244 131 V C 2.494 178.484 176.094 -0.173 0.000 1.041 131 V CA 1.763 64.010 62.300 -0.088 0.000 1.025 131 V CB -0.747 31.040 31.823 -0.061 0.000 0.656 131 V HN 0.541 nan 8.190 nan 0.000 0.451 132 L N 0.815 121.957 121.223 -0.136 0.000 2.217 132 L HA -0.069 3.663 4.340 -1.015 0.000 0.211 132 L C 2.577 179.443 176.870 -0.006 0.000 1.107 132 L CA 1.567 56.371 54.840 -0.061 0.000 0.783 132 L CB -0.643 41.399 42.059 -0.029 0.000 0.919 132 L HN 0.549 nan 8.230 nan 0.000 0.442 133 S N -0.601 115.081 115.700 -0.030 0.000 2.470 133 S HA 0.018 3.879 4.470 -1.015 0.000 0.225 133 S C 1.830 176.425 174.600 -0.007 0.000 1.006 133 S CA 0.218 58.413 58.200 -0.009 0.000 0.934 133 S CB -0.130 63.061 63.200 -0.014 0.000 0.778 133 S HN 0.332 nan 8.310 nan 0.000 0.517 134 L N 0.743 121.945 121.223 -0.035 0.000 2.130 134 L HA 0.279 4.010 4.340 -1.015 0.000 0.200 134 L C 3.001 179.827 176.870 -0.074 0.000 1.075 134 L CA 1.104 55.930 54.840 -0.023 0.000 0.768 134 L CB -0.587 41.468 42.059 -0.007 0.000 0.933 134 L HN 0.459 nan 8.230 nan 0.000 0.451 135 A N -1.872 120.832 122.820 -0.193 0.000 2.169 135 A HA -0.047 3.664 4.320 -1.015 0.000 0.212 135 A C 1.447 178.692 177.584 -0.564 0.000 1.153 135 A CA 0.878 52.670 52.037 -0.410 0.000 0.756 135 A CB -0.197 18.437 19.000 -0.610 0.000 0.813 135 A HN 0.512 nan 8.150 nan 0.000 0.471 136 Y N -3.145 117.128 120.300 -0.046 0.000 2.459 136 Y HA 0.349 4.293 4.550 -1.010 0.000 0.271 136 Y C 1.761 177.646 175.900 -0.026 0.000 1.063 136 Y CA 0.146 58.218 58.100 -0.047 0.000 1.216 136 Y CB 1.035 39.442 38.460 -0.089 0.000 1.335 136 Y HN 0.387 nan 8.280 nan 0.000 0.550 137 G N 0.770 109.636 108.800 0.110 0.000 2.195 137 G HA2 -0.289 3.062 3.960 -1.015 0.000 0.246 137 G HA3 -0.289 3.062 3.960 -1.015 0.000 0.246 137 G C -0.003 174.933 174.900 0.061 0.000 0.984 137 G CA 0.062 45.208 45.100 0.076 0.000 0.633 137 G HN 0.062 nan 8.290 nan 0.000 0.525 138 V N 1.546 121.501 119.914 0.068 0.000 2.509 138 V HA 0.209 3.720 4.120 -1.015 0.000 0.297 138 V C -0.609 175.494 176.094 0.014 0.000 1.014 138 V CA 0.219 62.543 62.300 0.040 0.000 1.127 138 V CB 0.852 32.694 31.823 0.032 0.000 0.925 138 V HN 0.193 nan 8.190 nan 0.000 0.480 139 P HA 0.107 nan 4.420 nan 0.000 0.263 139 P C 0.199 177.450 177.300 -0.081 0.000 1.386 139 P CA -0.027 63.023 63.100 -0.084 0.000 0.797 139 P CB 0.063 31.740 31.700 -0.038 0.000 1.381 140 E N 2.123 122.310 120.200 -0.022 0.000 2.384 140 E HA 0.109 3.850 4.350 -1.015 0.000 0.266 140 E C -2.001 174.586 176.600 -0.022 0.000 1.012 140 E CA -2.379 54.015 56.400 -0.010 0.000 0.901 140 E CB -0.305 29.399 29.700 0.007 0.000 0.967 140 E HN 0.206 nan 8.360 nan 0.000 0.435 141 P HA 0.198 nan 4.420 nan 0.000 0.274 141 P C -1.312 175.995 177.300 0.011 0.000 1.231 141 P CA -0.433 62.677 63.100 0.017 0.000 0.790 141 P CB 0.994 32.717 31.700 0.037 0.000 0.951 142 A N 2.619 125.453 122.820 0.023 0.000 2.978 142 A HA 0.406 4.117 4.320 -1.015 0.000 0.341 142 A C -0.479 177.236 177.584 0.219 0.000 1.105 142 A CA -0.564 51.476 52.037 0.005 0.000 0.819 142 A CB -0.043 18.864 19.000 -0.155 0.000 1.080 142 A HN 0.271 nan 8.150 nan 0.000 0.476 143 V N 3.757 123.818 119.914 0.245 0.000 2.353 143 V HA 0.288 3.799 4.120 -1.015 0.000 0.264 143 V C -0.029 176.176 176.094 0.185 0.000 1.049 143 V CA -0.414 61.991 62.300 0.175 0.000 0.896 143 V CB 0.291 32.188 31.823 0.123 0.000 1.025 143 V HN 0.909 nan 8.190 nan 0.000 0.475 144 D N 4.145 124.562 120.400 0.028 0.000 2.616 144 D HA 0.334 4.366 4.640 -1.015 0.000 0.260 144 D C 1.425 177.637 176.300 -0.147 0.000 1.158 144 D CA -0.099 53.762 54.000 -0.231 0.000 1.085 144 D CB 1.183 41.666 40.800 -0.528 0.000 1.222 144 D HN 0.321 nan 8.370 nan 0.000 0.626 145 G N -0.706 108.000 108.800 -0.157 0.000 2.448 145 G HA2 -0.253 3.098 3.960 -1.015 0.000 0.219 145 G HA3 -0.253 3.098 3.960 -1.015 0.000 0.219 145 G C 1.186 176.020 174.900 -0.110 0.000 1.127 145 G CA 0.399 45.435 45.100 -0.107 0.000 0.766 145 G HN 0.431 nan 8.290 nan 0.000 0.552 146 N N 0.396 119.029 118.700 -0.110 0.000 2.109 146 N HA -0.089 4.043 4.740 -1.015 0.000 0.188 146 N C 2.428 177.859 175.510 -0.132 0.000 1.034 146 N CA 1.201 54.194 53.050 -0.095 0.000 0.846 146 N CB -0.478 37.970 38.487 -0.064 0.000 1.010 146 N HN 0.168 nan 8.380 nan 0.000 0.425 147 V N 2.500 122.327 119.914 -0.144 0.000 2.255 147 V HA -0.233 3.278 4.120 -1.015 0.000 0.247 147 V C 2.481 178.347 176.094 -0.381 0.000 1.051 147 V CA 1.492 63.672 62.300 -0.200 0.000 1.018 147 V CB -0.507 31.232 31.823 -0.139 0.000 0.641 147 V HN 0.284 nan 8.190 nan 0.000 0.445 148 M N -0.583 118.758 119.600 -0.433 0.000 2.149 148 M HA -0.236 3.635 4.480 -1.015 0.000 0.261 148 M C 2.426 178.409 176.300 -0.528 0.000 1.064 148 M CA 2.001 56.836 55.300 -0.775 0.000 1.102 148 M CB -0.605 31.820 32.600 -0.292 0.000 1.369 148 M HN 0.262 nan 8.290 nan 0.000 0.408 149 R N 0.228 120.577 120.500 -0.251 0.000 2.148 149 R HA -0.057 3.674 4.340 -1.015 0.000 0.223 149 R C 1.813 178.044 176.300 -0.116 0.000 1.088 149 R CA 0.835 56.857 56.100 -0.130 0.000 0.985 149 R CB 0.083 30.335 30.300 -0.078 0.000 0.880 149 R HN 0.189 nan 8.270 nan 0.000 0.451 150 V N 1.084 120.905 119.914 -0.155 0.000 2.302 150 V HA -0.162 3.349 4.120 -1.015 0.000 0.243 150 V C 2.230 178.296 176.094 -0.048 0.000 1.036 150 V CA 1.371 63.614 62.300 -0.096 0.000 1.020 150 V CB -0.245 31.514 31.823 -0.106 0.000 0.657 150 V HN 0.315 nan 8.190 nan 0.000 0.453 151 L N 0.962 122.095 121.223 -0.150 0.000 2.265 151 L HA -0.121 3.610 4.340 -1.015 0.000 0.215 151 L C 2.526 179.477 176.870 0.134 0.000 1.117 151 L CA 1.654 56.472 54.840 -0.037 0.000 0.782 151 L CB -0.673 41.190 42.059 -0.327 0.000 0.914 151 L HN 0.546 nan 8.230 nan 0.000 0.441 152 S N -0.596 115.122 115.700 0.030 0.000 2.522 152 S HA -0.055 3.806 4.470 -1.015 0.000 0.227 152 S C 1.934 176.632 174.600 0.163 0.000 0.986 152 S CA 0.281 58.603 58.200 0.203 0.000 0.929 152 S CB 0.044 63.355 63.200 0.185 0.000 0.769 152 S HN 0.413 nan 8.310 nan 0.000 0.529 153 R N -0.094 120.480 120.500 0.123 0.000 2.191 153 R HA 0.449 4.180 4.340 -1.015 0.000 0.196 153 R C 2.120 178.490 176.300 0.117 0.000 0.991 153 R CA 0.353 56.516 56.100 0.106 0.000 1.075 153 R CB -0.285 30.057 30.300 0.069 0.000 1.040 153 R HN 0.291 nan 8.270 nan 0.000 0.526 154 L N -0.254 121.053 121.223 0.140 0.000 2.046 154 L HA -0.103 3.628 4.340 -1.015 0.000 0.208 154 L C 1.186 177.968 176.870 -0.147 0.000 1.077 154 L CA 1.691 56.557 54.840 0.043 0.000 0.747 154 L CB -0.082 42.046 42.059 0.115 0.000 0.896 154 L HN 0.192 nan 8.230 nan 0.000 0.432 155 F N -2.049 117.919 119.950 0.031 0.000 2.682 155 F HA 0.201 4.117 4.527 -1.018 0.000 0.308 155 F C 0.785 176.613 175.800 0.047 0.000 1.093 155 F CA -0.456 57.556 58.000 0.020 0.000 1.244 155 F CB 0.591 39.579 39.000 -0.021 0.000 1.052 155 F HN -0.225 nan 8.300 nan 0.000 0.573 156 L N 0.787 122.136 121.223 0.210 0.000 3.843 156 L HA -0.209 3.522 4.340 -1.015 0.000 0.411 156 L C -0.341 176.615 176.870 0.144 0.000 1.205 156 L CA -0.021 54.906 54.840 0.145 0.000 0.945 156 L CB -1.634 40.484 42.059 0.097 0.000 1.929 156 L HN -0.112 nan 8.230 nan 0.000 0.934 157 V N 0.627 120.656 119.914 0.191 0.000 2.493 157 V HA 0.083 3.594 4.120 -1.015 0.000 0.292 157 V C 1.764 177.921 176.094 0.105 0.000 1.016 157 V CA 1.001 63.379 62.300 0.129 0.000 1.097 157 V CB 0.660 32.568 31.823 0.143 0.000 0.947 157 V HN 0.621 nan 8.190 nan 0.000 0.479 158 T N -0.193 114.391 114.554 0.050 0.000 3.145 158 T HA 0.168 3.909 4.350 -1.015 0.000 0.255 158 T C 0.151 174.862 174.700 0.018 0.000 1.039 158 T CA -0.550 61.575 62.100 0.042 0.000 0.928 158 T CB -0.221 68.666 68.868 0.031 0.000 1.029 158 T HN 0.577 nan 8.240 nan 0.000 0.554 159 D N 2.958 123.351 120.400 -0.012 0.000 2.304 159 D HA 0.193 4.224 4.640 -1.015 0.000 0.250 159 D C -0.072 176.221 176.300 -0.013 0.000 1.107 159 D CA -0.374 53.602 54.000 -0.040 0.000 0.885 159 D CB 0.850 41.584 40.800 -0.109 0.000 1.192 159 D HN 0.181 nan 8.370 nan 0.000 0.436 160 D N 1.684 122.081 120.400 -0.005 0.000 2.554 160 D HA -0.099 3.932 4.640 -1.015 0.000 0.251 160 D C 1.451 177.761 176.300 0.017 0.000 1.213 160 D CA 0.013 54.021 54.000 0.012 0.000 0.900 160 D CB 0.278 41.081 40.800 0.005 0.000 1.135 160 D HN 0.453 nan 8.370 nan 0.000 0.522 161 I N 1.528 122.136 120.570 0.062 0.000 3.001 161 I HA -0.009 3.552 4.170 -1.015 0.000 0.268 161 I C 1.684 177.841 176.117 0.067 0.000 1.267 161 I CA 0.475 61.839 61.300 0.107 0.000 1.472 161 I CB -0.107 38.010 38.000 0.194 0.000 1.089 161 I HN 0.283 nan 8.210 nan 0.000 0.468 162 A N 2.382 125.226 122.820 0.039 0.000 2.168 162 A HA -0.033 3.678 4.320 -1.015 0.000 0.215 162 A C 1.218 178.809 177.584 0.012 0.000 1.152 162 A CA 0.535 52.587 52.037 0.025 0.000 0.716 162 A CB -0.384 18.627 19.000 0.020 0.000 0.794 162 A HN 0.626 nan 8.150 nan 0.000 0.465 163 K N -0.478 119.925 120.400 0.004 0.000 2.156 163 K HA 0.415 4.126 4.320 -1.015 0.000 0.271 163 K C -2.830 173.762 176.600 -0.014 0.000 0.995 163 K CA -1.876 54.405 56.287 -0.010 0.000 0.890 163 K CB 1.429 33.917 32.500 -0.021 0.000 1.073 163 K HN -0.153 nan 8.250 nan 0.000 0.454 164 P HA -0.108 nan 4.420 nan 0.000 0.234 164 P C 0.910 178.193 177.300 -0.029 0.000 1.167 164 P CA 0.833 63.928 63.100 -0.009 0.000 0.763 164 P CB 0.157 31.852 31.700 -0.009 0.000 0.835 165 S N -2.771 112.899 115.700 -0.049 0.000 2.446 165 S HA -0.030 3.831 4.470 -1.015 0.000 0.225 165 S C 1.761 176.284 174.600 -0.129 0.000 1.016 165 S CA 0.984 59.141 58.200 -0.072 0.000 0.943 165 S CB -1.495 61.667 63.200 -0.065 0.000 0.786 165 S HN 0.049 nan 8.310 nan 0.000 0.508 166 T N 2.212 116.675 114.554 -0.152 0.000 2.812 166 T HA 0.041 3.782 4.350 -1.015 0.000 0.264 166 T C 1.874 176.350 174.700 -0.375 0.000 1.042 166 T CA 1.014 62.930 62.100 -0.307 0.000 1.140 166 T CB -0.247 68.476 68.868 -0.243 0.000 0.870 166 T HN 0.380 nan 8.240 nan 0.000 0.445 167 R N 1.146 121.588 120.500 -0.097 0.000 2.081 167 R HA -0.063 3.669 4.340 -1.015 0.000 0.235 167 R C 2.182 178.501 176.300 0.033 0.000 1.131 167 R CA 1.427 57.576 56.100 0.080 0.000 0.960 167 R CB -0.071 30.289 30.300 0.099 0.000 0.856 167 R HN 0.267 nan 8.270 nan 0.000 0.436 168 K N -0.229 120.151 120.400 -0.034 0.000 2.211 168 K HA -0.162 3.549 4.320 -1.015 0.000 0.203 168 K C 2.107 178.667 176.600 -0.067 0.000 1.050 168 K CA 1.319 57.587 56.287 -0.031 0.000 0.945 168 K CB -0.060 32.419 32.500 -0.036 0.000 0.732 168 K HN 0.049 nan 8.250 nan 0.000 0.451 169 R N 0.481 120.885 120.500 -0.160 0.000 2.066 169 R HA -0.069 3.662 4.340 -1.015 0.000 0.232 169 R C 1.732 177.929 176.300 -0.172 0.000 1.131 169 R CA 1.529 57.497 56.100 -0.220 0.000 0.955 169 R CB -0.554 29.529 30.300 -0.362 0.000 0.851 169 R HN 0.123 nan 8.270 nan 0.000 0.432 170 F N 1.018 120.914 119.950 -0.091 0.000 2.161 170 F HA -0.156 3.765 4.527 -1.009 0.000 0.300 170 F C 2.151 177.895 175.800 -0.094 0.000 1.089 170 F CA 1.342 59.275 58.000 -0.112 0.000 1.282 170 F CB -0.078 38.879 39.000 -0.072 0.000 1.010 170 F HN 0.212 nan 8.300 nan 0.000 0.485 171 E N -0.213 120.064 120.200 0.129 0.000 2.338 171 E HA -0.227 3.514 4.350 -1.015 0.000 0.197 171 E C 2.413 179.029 176.600 0.026 0.000 1.007 171 E CA 0.951 57.393 56.400 0.070 0.000 0.849 171 E CB -0.180 29.555 29.700 0.057 0.000 0.774 171 E HN 0.615 nan 8.360 nan 0.000 0.506 172 Q N 0.929 120.725 119.800 -0.006 0.000 2.061 172 Q HA -0.012 3.719 4.340 -1.015 0.000 0.195 172 Q C 1.972 177.934 176.000 -0.065 0.000 0.967 172 Q CA 0.864 56.648 55.803 -0.032 0.000 0.829 172 Q CB -0.783 27.921 28.738 -0.056 0.000 0.900 172 Q HN 0.291 nan 8.270 nan 0.000 0.450 173 I N 0.760 121.255 120.570 -0.126 0.000 2.761 173 I HA -0.206 3.355 4.170 -1.015 0.000 0.266 173 I C 1.909 177.917 176.117 -0.182 0.000 1.239 173 I CA 0.902 62.040 61.300 -0.271 0.000 1.451 173 I CB -0.099 37.618 38.000 -0.472 0.000 1.096 173 I HN 0.242 nan 8.210 nan 0.000 0.465 174 V N 0.216 120.097 119.914 -0.056 0.000 2.795 174 V HA -0.029 3.483 4.120 -1.015 0.000 0.243 174 V C 2.434 178.523 176.094 -0.010 0.000 1.069 174 V CA 0.730 63.038 62.300 0.014 0.000 1.089 174 V CB -0.346 31.517 31.823 0.067 0.000 0.756 174 V HN 0.297 nan 8.190 nan 0.000 0.471 175 R N 0.804 121.316 120.500 0.019 0.000 2.117 175 R HA -0.249 3.482 4.340 -1.015 0.000 0.243 175 R C 2.135 178.538 176.300 0.172 0.000 1.143 175 R CA 2.057 58.224 56.100 0.112 0.000 0.968 175 R CB -0.535 29.832 30.300 0.112 0.000 0.863 175 R HN 0.809 nan 8.270 nan 0.000 0.444 176 E N 1.335 121.572 120.200 0.061 0.000 2.033 176 E HA -0.107 3.634 4.350 -1.015 0.000 0.189 176 E C 1.855 178.508 176.600 0.089 0.000 0.979 176 E CA 1.166 57.602 56.400 0.060 0.000 0.802 176 E CB -0.111 29.581 29.700 -0.013 0.000 0.763 176 E HN 0.484 nan 8.360 nan 0.000 0.449 177 I N -1.145 119.444 120.570 0.031 0.000 3.956 177 I HA 0.265 3.826 4.170 -1.015 0.000 0.333 177 I C 1.019 177.095 176.117 -0.069 0.000 1.302 177 I CA -0.601 60.756 61.300 0.095 0.000 1.122 177 I CB 0.033 38.072 38.000 0.065 0.000 1.013 177 I HN 0.128 nan 8.210 nan 0.000 0.405 178 M N 2.431 121.852 119.600 -0.297 0.000 2.228 178 M HA 0.310 4.182 4.480 -1.015 0.000 0.303 178 M C 0.106 175.978 176.300 -0.713 0.000 1.099 178 M CA 0.442 55.138 55.300 -1.007 0.000 1.171 178 M CB 0.707 32.781 32.600 -0.876 0.000 1.412 178 M HN 0.344 nan 8.290 nan 0.000 0.447 179 A N 3.176 125.439 122.820 -0.928 0.000 2.273 179 A HA 0.358 4.069 4.320 -1.015 0.000 0.320 179 A C -0.646 176.814 177.584 -0.206 0.000 1.358 179 A CA -0.590 51.277 52.037 -0.284 0.000 0.910 179 A CB -0.273 18.665 19.000 -0.104 0.000 1.159 179 A HN 0.969 nan 8.150 nan 0.000 0.526 180 Y N 1.240 121.472 120.300 -0.113 0.000 2.616 180 Y HA -0.118 3.826 4.550 -1.010 0.000 0.296 180 Y C 1.722 177.612 175.900 -0.017 0.000 1.154 180 Y CA 1.153 59.217 58.100 -0.060 0.000 1.325 180 Y CB 0.040 38.471 38.460 -0.047 0.000 1.007 180 Y HN 0.749 nan 8.280 nan 0.000 0.542 181 E N 0.177 120.445 120.200 0.113 0.000 2.015 181 E HA -0.149 3.592 4.350 -1.015 0.000 0.191 181 E C 0.628 177.271 176.600 0.071 0.000 0.991 181 E CA 1.152 57.604 56.400 0.087 0.000 0.802 181 E CB -0.104 29.644 29.700 0.080 0.000 0.759 181 E HN 0.081 nan 8.360 nan 0.000 0.447 182 N N -0.018 118.723 118.700 0.068 0.000 2.790 182 N HA 0.179 4.310 4.740 -1.015 0.000 0.256 182 N C -2.424 173.140 175.510 0.090 0.000 1.409 182 N CA -1.915 51.184 53.050 0.081 0.000 0.799 182 N CB 0.934 39.483 38.487 0.103 0.000 1.170 182 N HN -0.188 nan 8.380 nan 0.000 0.507 183 P HA 0.082 nan 4.420 nan 0.000 0.215 183 P C 1.484 178.848 177.300 0.107 0.000 1.157 183 P CA 0.815 63.935 63.100 0.034 0.000 0.856 183 P CB 0.089 31.753 31.700 -0.061 0.000 0.786 184 G N 0.747 109.586 108.800 0.065 0.000 2.556 184 G HA2 -0.346 3.005 3.960 -1.015 0.000 0.220 184 G HA3 -0.346 3.005 3.960 -1.015 0.000 0.220 184 G C 1.733 176.668 174.900 0.059 0.000 1.156 184 G CA 1.496 46.628 45.100 0.054 0.000 0.766 184 G HN 0.384 nan 8.290 nan 0.000 0.583 185 A N -0.152 122.726 122.820 0.097 0.000 1.969 185 A HA 0.170 3.881 4.320 -1.015 0.000 0.218 185 A C 2.161 179.719 177.584 -0.045 0.000 1.169 185 A CA 1.504 53.597 52.037 0.094 0.000 0.635 185 A CB -0.425 18.689 19.000 0.191 0.000 0.810 185 A HN 0.460 nan 8.150 nan 0.000 0.445 186 F N 1.195 121.099 119.950 -0.077 0.000 2.206 186 F HA -0.125 3.800 4.527 -1.004 0.000 0.298 186 F C 1.989 177.714 175.800 -0.125 0.000 1.090 186 F CA 1.735 59.684 58.000 -0.084 0.000 1.323 186 F CB -0.127 38.855 39.000 -0.031 0.000 1.028 186 F HN 0.179 nan 8.300 nan 0.000 0.492 187 N N 0.829 119.500 118.700 -0.048 0.000 2.080 187 N HA -0.170 3.961 4.740 -1.015 0.000 0.189 187 N C 1.831 177.204 175.510 -0.229 0.000 1.036 187 N CA 1.662 54.640 53.050 -0.120 0.000 0.846 187 N CB -0.664 37.820 38.487 -0.004 0.000 1.015 187 N HN 0.440 nan 8.380 nan 0.000 0.423 188 E N 0.579 120.639 120.200 -0.233 0.000 2.171 188 E HA -0.143 3.598 4.350 -1.015 0.000 0.197 188 E C 1.737 177.982 176.600 -0.591 0.000 0.997 188 E CA 1.026 57.260 56.400 -0.277 0.000 0.810 188 E CB -0.043 29.585 29.700 -0.119 0.000 0.738 188 E HN 0.356 nan 8.360 nan 0.000 0.467 189 A N 0.946 123.201 122.820 -0.941 0.000 1.929 189 A HA -0.112 3.599 4.320 -1.015 0.000 0.216 189 A C 2.149 179.516 177.584 -0.361 0.000 1.176 189 A CA 0.668 52.190 52.037 -0.857 0.000 0.628 189 A CB -0.430 18.139 19.000 -0.719 0.000 0.816 189 A HN 0.144 nan 8.150 nan 0.000 0.444 190 L N -0.604 120.358 121.223 -0.435 0.000 2.017 190 L HA -0.202 3.529 4.340 -1.015 0.000 0.208 190 L C 2.532 179.303 176.870 -0.165 0.000 1.073 190 L CA 1.599 56.255 54.840 -0.308 0.000 0.745 190 L CB -0.539 41.318 42.059 -0.337 0.000 0.894 190 L HN 0.406 nan 8.230 nan 0.000 0.432 191 I N -0.301 120.196 120.570 -0.122 0.000 2.142 191 I HA -0.306 3.255 4.170 -1.015 0.000 0.240 191 I C 2.539 178.674 176.117 0.030 0.000 1.078 191 I CA 1.253 62.536 61.300 -0.028 0.000 1.343 191 I CB -0.198 37.821 38.000 0.032 0.000 1.046 191 I HN 0.220 nan 8.210 nan 0.000 0.405 192 E N 0.972 121.220 120.200 0.081 0.000 2.085 192 E HA -0.258 3.483 4.350 -1.015 0.000 0.194 192 E C 2.001 178.804 176.600 0.337 0.000 0.994 192 E CA 1.212 57.763 56.400 0.252 0.000 0.801 192 E CB -0.253 29.702 29.700 0.426 0.000 0.743 192 E HN 0.314 nan 8.360 nan 0.000 0.453 193 L N -0.223 121.122 121.223 0.203 0.000 2.042 193 L HA -0.019 3.712 4.340 -1.015 0.000 0.210 193 L C 2.154 178.969 176.870 -0.093 0.000 1.076 193 L CA 2.467 57.230 54.840 -0.128 0.000 0.749 193 L CB -1.031 40.773 42.059 -0.426 0.000 0.893 193 L HN 0.221 nan 8.230 nan 0.000 0.432 194 G N -1.377 107.386 108.800 -0.062 0.000 2.422 194 G HA2 -0.156 3.195 3.960 -1.015 0.000 0.218 194 G HA3 -0.156 3.195 3.960 -1.015 0.000 0.218 194 G C 1.550 176.446 174.900 -0.007 0.000 1.140 194 G CA 0.685 45.752 45.100 -0.055 0.000 0.775 194 G HN 0.642 nan 8.290 nan 0.000 0.545 195 A N 0.203 123.048 122.820 0.042 0.000 1.897 195 A HA 0.255 3.967 4.320 -1.015 0.000 0.215 195 A C 2.344 179.976 177.584 0.080 0.000 1.181 195 A CA 1.075 53.148 52.037 0.060 0.000 0.620 195 A CB -0.196 18.856 19.000 0.087 0.000 0.821 195 A HN 0.338 nan 8.150 nan 0.000 0.443 196 L N -1.571 119.737 121.223 0.141 0.000 2.269 196 L HA 0.048 3.779 4.340 -1.015 0.000 0.200 196 L C 2.217 179.162 176.870 0.125 0.000 1.069 196 L CA 0.496 55.439 54.840 0.172 0.000 0.804 196 L CB -0.459 41.788 42.059 0.313 0.000 0.987 196 L HN 0.202 nan 8.230 nan 0.000 0.468 197 V N -1.151 118.807 119.914 0.073 0.000 2.502 197 V HA -0.046 3.465 4.120 -1.015 0.000 0.234 197 V C 1.246 177.293 176.094 -0.078 0.000 1.072 197 V CA 0.262 62.536 62.300 -0.042 0.000 1.094 197 V CB 0.255 31.943 31.823 -0.224 0.000 0.761 197 V HN 0.417 nan 8.190 nan 0.000 0.489 198 C N 4.015 123.245 119.300 -0.117 0.000 3.031 198 C HA 0.356 4.207 4.460 -1.015 0.000 0.489 198 C C 1.265 176.221 174.990 -0.056 0.000 1.020 198 C CA -0.334 58.626 59.018 -0.097 0.000 1.104 198 C CB -2.458 25.211 27.740 -0.118 0.000 1.470 198 C HN 0.696 nan 8.230 nan 0.000 0.583 199 T N 2.595 117.127 114.554 -0.037 0.000 2.922 199 T HA 0.360 4.102 4.350 -1.015 0.000 0.285 199 T C -1.428 173.263 174.700 -0.015 0.000 1.005 199 T CA -1.425 60.663 62.100 -0.020 0.000 1.061 199 T CB 1.274 70.136 68.868 -0.008 0.000 1.007 199 T HN 0.196 nan 8.240 nan 0.000 0.502 200 P HA -0.106 nan 4.420 nan 0.000 0.216 200 P C 0.422 177.722 177.300 0.000 0.000 1.167 200 P CA 1.226 64.322 63.100 -0.006 0.000 0.914 200 P CB 0.096 31.792 31.700 -0.006 0.000 0.793 201 R N -0.630 119.870 120.500 0.001 0.000 2.428 201 R HA 0.327 4.058 4.340 -1.015 0.000 0.294 201 R C 0.057 176.359 176.300 0.004 0.000 1.000 201 R CA -0.590 55.513 56.100 0.005 0.000 0.960 201 R CB 0.190 30.494 30.300 0.006 0.000 1.076 201 R HN -0.023 nan 8.270 nan 0.000 0.475 202 R N 1.670 122.175 120.500 0.009 0.000 2.879 202 R HA -0.158 3.574 4.340 -1.015 0.000 0.241 202 R C -2.087 174.210 176.300 -0.005 0.000 0.845 202 R CA 0.084 56.188 56.100 0.008 0.000 0.599 202 R CB -1.674 28.632 30.300 0.009 0.000 1.213 202 R HN 0.519 nan 8.270 nan 0.000 0.510 203 P HA -0.026 nan 4.420 nan 0.000 0.269 203 P C -0.059 177.207 177.300 -0.057 0.000 1.211 203 P CA 0.138 63.216 63.100 -0.038 0.000 0.781 203 P CB 0.549 32.222 31.700 -0.046 0.000 0.877 204 S N 0.899 116.554 115.700 -0.075 0.000 3.700 204 S HA 0.086 3.947 4.470 -1.015 0.000 0.192 204 S C 1.144 175.645 174.600 -0.166 0.000 1.430 204 S CA -0.473 57.673 58.200 -0.091 0.000 0.999 204 S CB -1.193 61.976 63.200 -0.053 0.000 1.411 204 S HN 0.446 nan 8.310 nan 0.000 0.491 205 C N 0.947 120.101 119.300 -0.243 0.000 2.435 205 C HA -0.033 3.819 4.460 -1.015 0.000 0.279 205 C C 2.442 177.139 174.990 -0.488 0.000 1.321 205 C CA 0.207 58.969 59.018 -0.426 0.000 1.752 205 C CB -1.303 26.044 27.740 -0.655 0.000 1.959 205 C HN 0.733 nan 8.230 nan 0.000 0.500 206 L N 0.285 121.279 121.223 -0.382 0.000 2.017 206 L HA -0.173 3.559 4.340 -1.015 0.000 0.208 206 L C 2.602 179.384 176.870 -0.148 0.000 1.073 206 L CA 1.505 56.200 54.840 -0.242 0.000 0.745 206 L CB -0.663 41.323 42.059 -0.121 0.000 0.894 206 L HN 0.337 nan 8.230 nan 0.000 0.432 207 L N -0.589 120.565 121.223 -0.114 0.000 2.083 207 L HA -0.162 3.570 4.340 -1.015 0.000 0.209 207 L C 1.709 178.516 176.870 -0.105 0.000 1.083 207 L CA 0.055 54.858 54.840 -0.062 0.000 0.752 207 L CB -0.251 41.797 42.059 -0.019 0.000 0.899 207 L HN 0.385 nan 8.230 nan 0.000 0.433 208 C N 2.327 121.513 119.300 -0.189 0.000 2.431 208 C HA -0.044 3.807 4.460 -1.015 0.000 0.397 208 C C -0.499 174.343 174.990 -0.247 0.000 1.436 208 C CA -1.001 57.846 59.018 -0.285 0.000 1.596 208 C CB 0.157 27.724 27.740 -0.288 0.000 2.550 208 C HN 0.227 nan 8.230 nan 0.000 0.596 209 P HA 0.050 nan 4.420 nan 0.000 0.249 209 P C 0.359 177.559 177.300 -0.166 0.000 1.229 209 P CA 1.156 64.128 63.100 -0.213 0.000 0.788 209 P CB -0.194 31.342 31.700 -0.273 0.000 1.072 210 V N -3.767 116.023 119.914 -0.206 0.000 3.070 210 V HA 0.246 3.757 4.120 -1.015 0.000 0.355 210 V C 1.828 177.961 176.094 0.065 0.000 1.400 210 V CA -0.283 61.947 62.300 -0.116 0.000 1.170 210 V CB -0.168 31.375 31.823 -0.466 0.000 1.169 210 V HN -0.077 nan 8.190 nan 0.000 0.554 211 Q N 1.506 121.311 119.800 0.009 0.000 2.297 211 Q HA -0.171 3.561 4.340 -1.015 0.000 0.208 211 Q C 1.946 178.066 176.000 0.200 0.000 0.981 211 Q CA 2.149 57.955 55.803 0.005 0.000 0.876 211 Q CB 0.121 28.771 28.738 -0.147 0.000 0.921 211 Q HN 0.831 nan 8.270 nan 0.000 0.446 212 A N 0.403 123.377 122.820 0.256 0.000 1.855 212 A HA -0.170 3.542 4.320 -1.015 0.000 0.215 212 A C 1.540 179.270 177.584 0.244 0.000 1.191 212 A CA 1.320 53.483 52.037 0.209 0.000 0.613 212 A CB -1.067 17.976 19.000 0.071 0.000 0.829 212 A HN 0.627 nan 8.150 nan 0.000 0.442 213 Y N -1.802 118.562 120.300 0.107 0.000 2.578 213 Y HA 0.103 4.047 4.550 -1.009 0.000 0.297 213 Y C 1.158 177.110 175.900 0.086 0.000 1.176 213 Y CA -0.722 57.449 58.100 0.118 0.000 1.315 213 Y CB -0.569 38.037 38.460 0.243 0.000 1.031 213 Y HN 0.232 nan 8.280 nan 0.000 0.524 214 C N 2.925 122.396 119.300 0.285 0.000 2.520 214 C HA 0.039 3.890 4.460 -1.015 0.000 0.369 214 C C 1.684 176.774 174.990 0.166 0.000 1.244 214 C CA -0.308 58.829 59.018 0.198 0.000 1.677 214 C CB -0.622 27.238 27.740 0.200 0.000 2.324 214 C HN 0.591 nan 8.230 nan 0.000 0.557 215 Q N 3.391 123.246 119.800 0.092 0.000 2.167 215 Q HA -0.127 3.604 4.340 -1.015 0.000 0.202 215 Q C 2.257 178.298 176.000 0.067 0.000 0.970 215 Q CA 1.643 57.482 55.803 0.060 0.000 0.855 215 Q CB 0.006 28.762 28.738 0.031 0.000 0.911 215 Q HN 0.951 nan 8.270 nan 0.000 0.438 216 A N 0.654 123.534 122.820 0.099 0.000 1.897 216 A HA -0.143 3.568 4.320 -1.015 0.000 0.215 216 A C 1.825 179.486 177.584 0.129 0.000 1.181 216 A CA 0.775 52.871 52.037 0.099 0.000 0.620 216 A CB -0.607 18.456 19.000 0.104 0.000 0.821 216 A HN 0.413 nan 8.150 nan 0.000 0.443 217 F N 1.473 121.436 119.950 0.022 0.000 2.102 217 F HA -0.047 3.874 4.527 -1.009 0.000 0.298 217 F C 2.414 178.224 175.800 0.017 0.000 1.105 217 F CA 1.013 59.024 58.000 0.017 0.000 1.239 217 F CB -0.731 38.279 39.000 0.018 0.000 0.991 217 F HN 0.230 nan 8.300 nan 0.000 0.474 218 A N -0.222 122.527 122.820 -0.118 0.000 2.093 218 A HA -0.203 3.508 4.320 -1.015 0.000 0.222 218 A C 1.911 179.384 177.584 -0.185 0.000 1.162 218 A CA 2.111 54.026 52.037 -0.205 0.000 0.655 218 A CB -0.584 18.389 19.000 -0.044 0.000 0.805 218 A HN 0.604 nan 8.150 nan 0.000 0.461 219 E N -2.459 117.671 120.200 -0.116 0.000 2.539 219 E HA 0.253 3.994 4.350 -1.015 0.000 0.215 219 E C 0.943 177.501 176.600 -0.070 0.000 0.965 219 E CA 0.555 56.909 56.400 -0.078 0.000 1.019 219 E CB 0.284 29.969 29.700 -0.025 0.000 1.059 219 E HN 0.844 nan 8.360 nan 0.000 0.496 220 G N 2.101 110.854 108.800 -0.077 0.000 2.212 220 G HA2 -0.270 3.081 3.960 -1.015 0.000 0.255 220 G HA3 -0.270 3.081 3.960 -1.015 0.000 0.255 220 G C 0.754 175.670 174.900 0.028 0.000 1.062 220 G CA 0.509 45.594 45.100 -0.024 0.000 0.815 220 G HN 0.290 nan 8.290 nan 0.000 0.497 221 V N -4.267 115.675 119.914 0.047 0.000 3.330 221 V HA 0.710 4.221 4.120 -1.015 0.000 0.309 221 V C 2.236 178.369 176.094 0.065 0.000 1.481 221 V CA 0.905 63.234 62.300 0.048 0.000 1.068 221 V CB -0.153 31.692 31.823 0.037 0.000 0.935 221 V HN 1.328 nan 8.190 nan 0.000 0.453 222 A N 1.210 124.085 122.820 0.092 0.000 1.940 222 A HA -0.295 3.416 4.320 -1.015 0.000 0.221 222 A C 1.988 179.607 177.584 0.059 0.000 1.190 222 A CA 2.681 54.770 52.037 0.088 0.000 0.647 222 A CB -0.536 18.530 19.000 0.111 0.000 0.821 222 A HN 0.649 nan 8.150 nan 0.000 0.457 223 E N -0.837 119.396 120.200 0.055 0.000 2.482 223 E HA -0.064 3.677 4.350 -1.015 0.000 0.196 223 E C 1.452 178.073 176.600 0.035 0.000 1.047 223 E CA 0.370 56.794 56.400 0.040 0.000 0.869 223 E CB 0.118 29.840 29.700 0.037 0.000 0.836 223 E HN 0.523 nan 8.360 nan 0.000 0.520 224 E N -0.233 119.990 120.200 0.039 0.000 2.299 224 E HA 0.028 3.769 4.350 -1.015 0.000 0.193 224 E C 0.445 177.069 176.600 0.040 0.000 0.998 224 E CA 0.419 56.841 56.400 0.036 0.000 0.851 224 E CB 0.278 30.000 29.700 0.036 0.000 0.795 224 E HN 0.274 nan 8.360 nan 0.000 0.492 225 L N 2.232 123.482 121.223 0.045 0.000 2.352 225 L HA 0.346 4.078 4.340 -1.015 0.000 0.269 225 L C -2.056 174.837 176.870 0.038 0.000 1.034 225 L CA -2.101 52.769 54.840 0.050 0.000 0.806 225 L CB 1.132 43.230 42.059 0.064 0.000 1.244 225 L HN -0.129 nan 8.230 nan 0.000 0.447 226 P HA 0.145 nan 4.420 nan 0.000 0.279 226 P C -0.968 176.367 177.300 0.058 0.000 1.276 226 P CA -0.393 62.745 63.100 0.064 0.000 0.801 226 P CB 1.015 32.758 31.700 0.072 0.000 1.127 227 V N -4.321 115.634 119.914 0.068 0.000 2.432 227 V HA 0.767 4.278 4.120 -1.015 0.000 0.275 227 V C -0.083 176.040 176.094 0.048 0.000 1.043 227 V CA -0.669 61.661 62.300 0.050 0.000 0.925 227 V CB -0.357 31.492 31.823 0.043 0.000 0.985 227 V HN 0.748 nan 8.190 nan 0.000 0.466 228 K N 4.803 125.225 120.400 0.036 0.000 2.668 228 K HA 0.688 4.399 4.320 -1.015 0.000 0.246 228 K C -0.574 176.041 176.600 0.025 0.000 0.976 228 K CA -0.764 55.542 56.287 0.033 0.000 0.902 228 K CB 1.465 33.984 32.500 0.032 0.000 1.172 228 K HN 1.168 nan 8.250 nan 0.000 0.452 229 M N 2.186 121.799 119.600 0.022 0.000 2.226 229 M HA 0.017 3.888 4.480 -1.015 0.000 0.377 229 M C 0.869 177.180 176.300 0.020 0.000 1.309 229 M CA 0.619 55.929 55.300 0.018 0.000 0.874 229 M CB 0.012 32.621 32.600 0.015 0.000 1.902 229 M HN 0.668 nan 8.290 nan 0.000 0.485 230 K N 3.619 124.031 120.400 0.019 0.000 2.410 230 K HA 0.446 4.157 4.320 -1.015 0.000 0.259 230 K C 0.241 176.854 176.600 0.022 0.000 1.099 230 K CA 0.842 57.141 56.287 0.020 0.000 0.844 230 K CB -0.321 32.190 32.500 0.019 0.000 1.096 230 K HN 0.802 nan 8.250 nan 0.000 0.504 231 K N 0.633 121.047 120.400 0.024 0.000 2.159 231 K HA 0.382 4.093 4.320 -1.015 0.000 0.266 231 K C 0.228 176.846 176.600 0.030 0.000 0.975 231 K CA -0.327 55.977 56.287 0.029 0.000 0.865 231 K CB 1.122 33.640 32.500 0.031 0.000 1.087 231 K HN 0.653 nan 8.250 nan 0.000 0.446 232 T N 1.873 116.447 114.554 0.034 0.000 2.940 232 T HA 0.398 4.139 4.350 -1.015 0.000 0.309 232 T C 0.583 175.308 174.700 0.041 0.000 1.056 232 T CA 0.589 62.711 62.100 0.036 0.000 1.137 232 T CB 0.478 69.371 68.868 0.042 0.000 0.976 232 T HN 0.909 nan 8.240 nan 0.000 0.547 233 A N 3.463 126.305 122.820 0.037 0.000 2.409 233 A HA 0.508 4.219 4.320 -1.015 0.000 0.262 233 A C 0.630 178.241 177.584 0.044 0.000 1.113 233 A CA -0.781 51.279 52.037 0.038 0.000 0.790 233 A CB -0.044 18.975 19.000 0.032 0.000 1.046 233 A HN 0.858 nan 8.150 nan 0.000 0.496 234 V N 0.928 120.871 119.914 0.047 0.000 3.003 234 V HA 0.393 3.905 4.120 -1.015 0.000 0.305 234 V C 0.454 176.569 176.094 0.035 0.000 1.078 234 V CA -0.871 61.456 62.300 0.045 0.000 1.083 234 V CB 0.655 32.508 31.823 0.049 0.000 1.039 234 V HN 0.903 nan 8.190 nan 0.000 0.481 235 K N 1.820 122.231 120.400 0.019 0.000 2.185 235 K HA 0.296 4.007 4.320 -1.015 0.000 0.271 235 K C -0.378 176.248 176.600 0.043 0.000 1.013 235 K CA -0.500 55.802 56.287 0.025 0.000 0.943 235 K CB 0.790 33.298 32.500 0.014 0.000 0.998 235 K HN 0.877 nan 8.250 nan 0.000 0.468 236 Q N 2.155 121.990 119.800 0.058 0.000 2.241 236 Q HA 0.336 4.068 4.340 -1.015 0.000 0.254 236 Q C -0.880 175.178 176.000 0.097 0.000 0.917 236 Q CA -0.729 55.126 55.803 0.087 0.000 0.919 236 Q CB 2.066 30.848 28.738 0.072 0.000 1.237 236 Q HN 0.279 nan 8.270 nan 0.000 0.434 237 V N 3.740 123.745 119.914 0.152 0.000 2.445 237 V HA 0.247 3.758 4.120 -1.015 0.000 0.283 237 V C -2.431 173.720 176.094 0.095 0.000 1.014 237 V CA -1.793 60.596 62.300 0.148 0.000 0.852 237 V CB 1.709 33.684 31.823 0.253 0.000 1.021 237 V HN 0.594 nan 8.190 nan 0.000 0.435 238 P HA 0.309 nan 4.420 nan 0.000 0.271 238 P C -0.785 176.448 177.300 -0.112 0.000 1.220 238 P CA -0.052 63.031 63.100 -0.030 0.000 0.768 238 P CB 0.935 32.627 31.700 -0.014 0.000 0.848 239 L N 3.271 124.382 121.223 -0.186 0.000 2.370 239 L HA 0.803 4.535 4.340 -1.015 0.000 0.266 239 L C -1.103 175.659 176.870 -0.179 0.000 1.002 239 L CA -0.871 53.793 54.840 -0.293 0.000 0.818 239 L CB 1.993 43.669 42.059 -0.638 0.000 1.325 239 L HN 0.386 nan 8.230 nan 0.000 0.418 240 A N 3.963 126.710 122.820 -0.121 0.000 2.319 240 A HA 0.786 4.497 4.320 -1.015 0.000 0.310 240 A C -1.502 176.093 177.584 0.018 0.000 1.152 240 A CA -0.501 51.549 52.037 0.022 0.000 0.783 240 A CB 1.220 20.243 19.000 0.038 0.000 1.184 240 A HN 0.471 nan 8.150 nan 0.000 0.474 241 V N 1.386 121.340 119.914 0.067 0.000 2.555 241 V HA 0.770 4.281 4.120 -1.015 0.000 0.302 241 V C 0.418 176.572 176.094 0.101 0.000 1.038 241 V CA -0.492 61.832 62.300 0.041 0.000 0.887 241 V CB 1.573 33.342 31.823 -0.090 0.000 0.991 241 V HN 1.190 nan 8.190 nan 0.000 0.434 242 A N 3.834 126.708 122.820 0.090 0.000 2.288 242 A HA 0.796 4.507 4.320 -1.015 0.000 0.320 242 A C -0.590 176.971 177.584 -0.039 0.000 1.217 242 A CA -0.520 51.546 52.037 0.048 0.000 0.840 242 A CB 1.244 20.276 19.000 0.055 0.000 1.179 242 A HN 0.807 nan 8.150 nan 0.000 0.504 243 V N 4.299 124.092 119.914 -0.201 0.000 2.277 243 V HA 0.301 3.812 4.120 -1.015 0.000 0.269 243 V C -0.332 175.611 176.094 -0.251 0.000 1.036 243 V CA -0.079 61.972 62.300 -0.414 0.000 0.821 243 V CB 0.142 31.419 31.823 -0.910 0.000 1.052 243 V HN 0.706 nan 8.190 nan 0.000 0.462 244 L N 4.422 125.600 121.223 -0.075 0.000 2.272 244 L HA 0.842 4.573 4.340 -1.015 0.000 0.289 244 L C 0.348 177.247 176.870 0.047 0.000 1.032 244 L CA -0.340 54.496 54.840 -0.006 0.000 0.810 244 L CB 1.555 43.627 42.059 0.021 0.000 1.205 244 L HN 0.670 nan 8.230 nan 0.000 0.422 245 A N 2.293 125.155 122.820 0.069 0.000 2.330 245 A HA 0.586 4.297 4.320 -1.015 0.000 0.313 245 A C -0.646 177.000 177.584 0.103 0.000 1.124 245 A CA -0.777 51.338 52.037 0.130 0.000 0.774 245 A CB 0.966 20.091 19.000 0.208 0.000 1.198 245 A HN 0.750 nan 8.150 nan 0.000 0.465 246 D N 1.180 121.644 120.400 0.106 0.000 2.393 246 D HA 0.087 4.118 4.640 -1.015 0.000 0.246 246 D C 0.046 176.417 176.300 0.119 0.000 1.275 246 D CA -0.188 53.872 54.000 0.099 0.000 0.979 246 D CB 0.502 41.409 40.800 0.179 0.000 1.101 246 D HN 0.312 nan 8.370 nan 0.000 0.505 247 D N -1.350 119.118 120.400 0.113 0.000 2.224 247 D HA -0.088 3.943 4.640 -1.015 0.000 0.205 247 D C 1.300 177.659 176.300 0.099 0.000 0.965 247 D CA 0.654 54.713 54.000 0.098 0.000 0.852 247 D CB -0.120 40.729 40.800 0.081 0.000 0.947 247 D HN 0.422 nan 8.370 nan 0.000 0.494 248 E N -0.707 119.561 120.200 0.112 0.000 2.512 248 E HA 0.233 3.974 4.350 -1.015 0.000 0.195 248 E C 1.635 178.302 176.600 0.111 0.000 1.083 248 E CA 0.425 56.883 56.400 0.098 0.000 0.873 248 E CB -0.085 29.667 29.700 0.088 0.000 0.897 248 E HN 0.535 nan 8.360 nan 0.000 0.514 249 G N 1.049 109.929 108.800 0.133 0.000 2.217 249 G HA2 -0.343 3.008 3.960 -1.015 0.000 0.246 249 G HA3 -0.343 3.008 3.960 -1.015 0.000 0.246 249 G C 0.505 175.515 174.900 0.184 0.000 0.990 249 G CA 0.204 45.399 45.100 0.159 0.000 0.627 249 G HN 0.443 nan 8.290 nan 0.000 0.522 250 R N -0.029 120.570 120.500 0.165 0.000 2.643 250 R HA 0.497 4.229 4.340 -1.015 0.000 0.270 250 R C 0.267 176.673 176.300 0.177 0.000 1.061 250 R CA 0.140 56.337 56.100 0.163 0.000 1.107 250 R CB 1.035 31.426 30.300 0.152 0.000 0.999 250 R HN 0.146 nan 8.270 nan 0.000 0.460 251 V N 3.239 123.255 119.914 0.169 0.000 2.919 251 V HA 0.373 3.884 4.120 -1.015 0.000 0.316 251 V C -0.590 175.609 176.094 0.175 0.000 1.077 251 V CA -1.034 61.377 62.300 0.186 0.000 0.977 251 V CB 1.871 33.830 31.823 0.227 0.000 1.039 251 V HN 0.488 nan 8.190 nan 0.000 0.441 252 L N 4.998 126.344 121.223 0.205 0.000 2.295 252 L HA 0.774 4.506 4.340 -1.015 0.000 0.285 252 L C -0.511 176.550 176.870 0.319 0.000 1.035 252 L CA 0.184 55.159 54.840 0.225 0.000 0.806 252 L CB 0.986 43.158 42.059 0.187 0.000 1.214 252 L HN 0.705 nan 8.230 nan 0.000 0.426 253 I N 1.793 122.520 120.570 0.262 0.000 3.074 253 I HA 0.746 4.307 4.170 -1.015 0.000 0.310 253 I C -1.268 174.980 176.117 0.218 0.000 1.153 253 I CA -1.112 60.326 61.300 0.231 0.000 0.993 253 I CB 2.356 40.395 38.000 0.064 0.000 1.237 253 I HN 0.751 nan 8.210 nan 0.000 0.443 254 R N 1.621 122.158 120.500 0.062 0.000 2.771 254 R HA 0.555 4.287 4.340 -1.015 0.000 0.274 254 R C -1.417 174.600 176.300 -0.472 0.000 0.987 254 R CA -1.088 54.856 56.100 -0.260 0.000 0.908 254 R CB 2.137 31.983 30.300 -0.756 0.000 1.213 254 R HN 0.686 nan 8.270 nan 0.000 0.468 255 K N 2.493 122.360 120.400 -0.887 0.000 2.253 255 K HA 0.250 3.961 4.320 -1.015 0.000 0.277 255 K C -0.464 175.736 176.600 -0.666 0.000 1.053 255 K CA -0.573 54.983 56.287 -1.218 0.000 0.892 255 K CB 0.856 32.391 32.500 -1.609 0.000 1.102 255 K HN 0.531 nan 8.250 nan 0.000 0.469 256 R N 2.648 122.836 120.500 -0.519 0.000 2.811 256 R HA -0.045 3.686 4.340 -1.015 0.000 0.265 256 R C 0.235 176.365 176.300 -0.284 0.000 1.026 256 R CA -0.038 55.871 56.100 -0.318 0.000 1.142 256 R CB 0.180 30.346 30.300 -0.224 0.000 1.027 256 R HN 0.780 nan 8.270 nan 0.000 0.465 257 D N 0.351 120.636 120.400 -0.193 0.000 2.352 257 D HA -0.068 3.963 4.640 -1.015 0.000 0.238 257 D C 0.529 176.748 176.300 -0.135 0.000 1.286 257 D CA -0.185 53.722 54.000 -0.154 0.000 0.923 257 D CB 0.331 41.067 40.800 -0.107 0.000 1.146 257 D HN 0.513 nan 8.370 nan 0.000 0.471 258 S N -2.632 113.003 115.700 -0.108 0.000 2.605 258 S HA 0.113 3.974 4.470 -1.015 0.000 0.217 258 S C 0.643 175.202 174.600 -0.067 0.000 0.958 258 S CA -0.287 57.859 58.200 -0.090 0.000 0.919 258 S CB -0.827 62.324 63.200 -0.081 0.000 0.780 258 S HN 0.709 nan 8.310 nan 0.000 0.507 259 T N -1.874 112.643 114.554 -0.062 0.000 2.812 259 T HA 0.718 4.459 4.350 -1.015 0.000 0.282 259 T C 0.461 175.139 174.700 -0.038 0.000 0.990 259 T CA -0.005 62.066 62.100 -0.048 0.000 0.960 259 T CB 1.256 70.097 68.868 -0.044 0.000 0.948 259 T HN 1.120 nan 8.240 nan 0.000 0.438 260 G N 2.339 111.120 108.800 -0.032 0.000 2.464 260 G HA2 0.020 3.371 3.960 -1.015 0.000 0.216 260 G HA3 0.020 3.371 3.960 -1.015 0.000 0.216 260 G C -0.745 174.155 174.900 -0.000 0.000 1.186 260 G CA -0.487 44.601 45.100 -0.019 0.000 1.010 260 G HN 1.121 nan 8.290 nan 0.000 0.585 261 L N 1.584 122.815 121.223 0.014 0.000 2.490 261 L HA 0.522 4.253 4.340 -1.015 0.000 0.274 261 L C 1.521 178.423 176.870 0.054 0.000 1.201 261 L CA 1.044 55.903 54.840 0.031 0.000 0.869 261 L CB -0.051 41.998 42.059 -0.017 0.000 1.123 261 L HN 1.103 nan 8.230 nan 0.000 0.484 262 L N 4.151 125.446 121.223 0.119 0.000 3.833 262 L HA -0.276 3.455 4.340 -1.015 0.000 0.447 262 L C 0.855 177.709 176.870 -0.026 0.000 1.213 262 L CA 0.410 55.300 54.840 0.083 0.000 0.801 262 L CB -1.766 40.332 42.059 0.065 0.000 1.676 262 L HN 0.876 nan 8.230 nan 0.000 0.883 263 A N 0.834 123.651 122.820 -0.005 0.000 2.563 263 A HA 0.225 3.936 4.320 -1.015 0.000 0.256 263 A C 1.439 178.952 177.584 -0.117 0.000 1.056 263 A CA 0.865 52.866 52.037 -0.060 0.000 0.775 263 A CB -0.134 18.844 19.000 -0.036 0.000 0.973 263 A HN 0.763 nan 8.150 nan 0.000 0.516 264 N N -0.964 117.623 118.700 -0.189 0.000 2.909 264 N HA -0.150 3.981 4.740 -1.015 0.000 0.242 264 N C -0.528 174.768 175.510 -0.356 0.000 0.975 264 N CA 1.299 54.187 53.050 -0.269 0.000 0.921 264 N CB -1.712 36.670 38.487 -0.176 0.000 1.112 264 N HN 0.565 nan 8.380 nan 0.000 0.581 265 L N -0.040 120.989 121.223 -0.323 0.000 2.418 265 L HA 0.382 4.113 4.340 -1.015 0.000 0.265 265 L C 0.697 177.289 176.870 -0.463 0.000 1.143 265 L CA -0.092 54.548 54.840 -0.333 0.000 0.809 265 L CB 0.268 42.141 42.059 -0.311 0.000 1.124 265 L HN 0.083 nan 8.230 nan 0.000 0.456 266 W N 1.964 122.979 121.300 -0.475 0.000 2.215 266 W HA 0.515 4.566 4.660 -1.015 0.000 0.342 266 W C 0.250 176.395 176.519 -0.624 0.000 1.237 266 W CA -0.120 56.830 57.345 -0.658 0.000 1.283 266 W CB 0.506 29.348 29.460 -1.030 0.000 1.131 266 W HN 0.527 nan 8.180 nan 0.000 0.606 267 E N 0.184 120.266 120.200 -0.197 0.000 2.439 267 E HA 0.423 4.165 4.350 -1.015 0.000 0.279 267 E C -1.797 174.850 176.600 0.078 0.000 1.077 267 E CA -0.969 55.391 56.400 -0.067 0.000 0.849 267 E CB 0.951 30.441 29.700 -0.350 0.000 1.408 267 E HN 0.238 nan 8.360 nan 0.000 0.457 268 F N 0.661 121.009 119.950 0.663 0.000 2.396 268 F HA 0.372 4.290 4.527 -1.015 0.000 0.343 268 F C -1.910 174.076 175.800 0.311 0.000 1.104 268 F CA -2.167 56.069 58.000 0.394 0.000 1.161 268 F CB 0.884 40.051 39.000 0.278 0.000 1.146 268 F HN 0.185 nan 8.300 nan 0.000 0.522 269 P HA -0.044 nan 4.420 nan 0.000 0.261 269 P C -0.674 176.755 177.300 0.215 0.000 1.165 269 P CA 0.428 63.698 63.100 0.282 0.000 0.759 269 P CB 0.473 32.361 31.700 0.313 0.000 0.772 270 S N 2.183 117.969 115.700 0.143 0.000 2.607 270 S HA 0.827 4.688 4.470 -1.015 0.000 0.273 270 S C -1.104 173.498 174.600 0.004 0.000 1.148 270 S CA -0.701 57.537 58.200 0.063 0.000 0.833 270 S CB 0.945 64.179 63.200 0.056 0.000 1.130 270 S HN 0.621 nan 8.310 nan 0.000 0.470 271 C N -0.327 118.945 119.300 -0.047 0.000 2.985 271 C HA 0.710 4.561 4.460 -1.015 0.000 0.332 271 C C -0.418 174.518 174.990 -0.091 0.000 1.164 271 C CA -0.832 58.153 59.018 -0.055 0.000 1.347 271 C CB 0.105 27.825 27.740 -0.034 0.000 1.764 271 C HN 1.043 nan 8.230 nan 0.000 0.489 272 E N 0.589 120.741 120.200 -0.081 0.000 2.442 272 E HA 0.257 3.999 4.350 -1.015 0.000 0.262 272 E C 0.588 177.154 176.600 -0.058 0.000 1.004 272 E CA 0.409 56.762 56.400 -0.079 0.000 0.928 272 E CB 0.869 30.548 29.700 -0.036 0.000 0.937 272 E HN 0.776 nan 8.360 nan 0.000 0.446 273 T N 1.699 116.220 114.554 -0.056 0.000 3.138 273 T HA -0.035 3.706 4.350 -1.015 0.000 0.245 273 T C 0.524 175.209 174.700 -0.024 0.000 0.982 273 T CA 0.636 62.712 62.100 -0.041 0.000 1.134 273 T CB -0.028 68.818 68.868 -0.036 0.000 1.032 273 T HN 0.892 nan 8.240 nan 0.000 0.442 274 D N 0.178 120.567 120.400 -0.018 0.000 4.566 274 D HA -0.152 3.879 4.640 -1.015 0.000 0.168 274 D C 0.759 177.058 176.300 -0.003 0.000 0.658 274 D CA 1.901 55.898 54.000 -0.005 0.000 1.285 274 D CB -1.720 39.078 40.800 -0.003 0.000 0.770 274 D HN 0.614 nan 8.370 nan 0.000 0.517 275 G N 0.211 109.009 108.800 -0.004 0.000 2.684 275 G HA2 0.519 3.871 3.960 -1.015 0.000 0.255 275 G HA3 0.519 3.871 3.960 -1.015 0.000 0.255 275 G C 0.148 175.047 174.900 -0.002 0.000 1.219 275 G CA 0.365 45.464 45.100 -0.002 0.000 0.901 275 G HN 1.115 nan 8.290 nan 0.000 0.548 276 A N 0.338 123.160 122.820 0.003 0.000 2.450 276 A HA 0.530 4.241 4.320 -1.015 0.000 0.255 276 A C 0.295 177.877 177.584 -0.005 0.000 1.096 276 A CA 0.489 52.531 52.037 0.008 0.000 0.778 276 A CB 0.160 19.168 19.000 0.013 0.000 1.031 276 A HN 1.253 nan 8.150 nan 0.000 0.494 277 D N 0.579 120.971 120.400 -0.013 0.000 4.437 277 D HA -0.103 3.928 4.640 -1.015 0.000 0.097 277 D C 0.617 176.863 176.300 -0.090 0.000 0.399 277 D CA 0.443 54.416 54.000 -0.046 0.000 0.578 277 D CB -1.631 39.145 40.800 -0.040 0.000 1.640 277 D HN 0.629 nan 8.370 nan 0.000 0.054 278 G N 0.852 109.594 108.800 -0.096 0.000 2.404 278 G HA2 -0.054 3.297 3.960 -1.015 0.000 0.215 278 G HA3 -0.054 3.297 3.960 -1.015 0.000 0.215 278 G C 1.746 176.381 174.900 -0.442 0.000 1.174 278 G CA 1.992 46.979 45.100 -0.189 0.000 0.780 278 G HN 0.712 nan 8.290 nan 0.000 0.537 279 K N 1.202 121.227 120.400 -0.626 0.000 2.032 279 K HA -0.104 3.607 4.320 -1.015 0.000 0.209 279 K C 2.191 178.586 176.600 -0.341 0.000 1.048 279 K CA 2.045 57.926 56.287 -0.676 0.000 0.927 279 K CB -0.824 31.378 32.500 -0.498 0.000 0.712 279 K HN 0.448 nan 8.250 nan 0.000 0.441 280 E N 1.043 121.111 120.200 -0.221 0.000 2.058 280 E HA -0.190 3.551 4.350 -1.015 0.000 0.194 280 E C 2.098 178.621 176.600 -0.130 0.000 0.997 280 E CA 1.496 57.811 56.400 -0.141 0.000 0.801 280 E CB -0.216 29.425 29.700 -0.097 0.000 0.746 280 E HN 0.690 nan 8.360 nan 0.000 0.450 281 K N 0.689 121.009 120.400 -0.133 0.000 2.026 281 K HA -0.091 3.620 4.320 -1.015 0.000 0.208 281 K C 2.549 179.086 176.600 -0.105 0.000 1.048 281 K CA 0.862 57.088 56.287 -0.102 0.000 0.929 281 K CB -0.432 32.014 32.500 -0.089 0.000 0.713 281 K HN 0.027 nan 8.250 nan 0.000 0.439 282 L N 1.923 123.054 121.223 -0.153 0.000 1.970 282 L HA -0.219 3.512 4.340 -1.015 0.000 0.212 282 L C 2.522 179.328 176.870 -0.108 0.000 1.071 282 L CA 1.625 56.387 54.840 -0.130 0.000 0.751 282 L CB -0.511 41.429 42.059 -0.198 0.000 0.889 282 L HN 0.214 nan 8.230 nan 0.000 0.432 283 E N -0.386 119.730 120.200 -0.140 0.000 2.095 283 E HA -0.392 3.349 4.350 -1.015 0.000 0.212 283 E C 2.074 178.629 176.600 -0.075 0.000 1.044 283 E CA 2.257 58.594 56.400 -0.105 0.000 0.857 283 E CB -0.305 29.329 29.700 -0.110 0.000 0.764 283 E HN 0.569 nan 8.360 nan 0.000 0.462 284 Q N 1.054 120.811 119.800 -0.071 0.000 1.975 284 Q HA -0.198 3.533 4.340 -1.015 0.000 0.205 284 Q C 2.117 178.093 176.000 -0.041 0.000 0.990 284 Q CA 2.120 57.892 55.803 -0.052 0.000 0.845 284 Q CB -0.707 28.002 28.738 -0.047 0.000 0.913 284 Q HN 0.278 nan 8.270 nan 0.000 0.420 285 M N -0.258 119.321 119.600 -0.035 0.000 2.195 285 M HA -0.151 3.720 4.480 -1.015 0.000 0.260 285 M C 1.852 178.151 176.300 -0.001 0.000 1.066 285 M CA 1.697 56.991 55.300 -0.011 0.000 1.089 285 M CB -0.190 32.408 32.600 -0.002 0.000 1.377 285 M HN 0.319 nan 8.290 nan 0.000 0.411 286 V N 0.108 120.009 119.914 -0.022 0.000 2.788 286 V HA -0.033 3.478 4.120 -1.015 0.000 0.251 286 V C 2.357 178.400 176.094 -0.086 0.000 1.068 286 V CA 1.584 63.855 62.300 -0.048 0.000 1.090 286 V CB -0.622 31.172 31.823 -0.049 0.000 0.710 286 V HN 0.666 nan 8.190 nan 0.000 0.467 287 G N -0.473 108.289 108.800 -0.063 0.000 2.446 287 G HA2 -0.327 3.024 3.960 -1.015 0.000 0.217 287 G HA3 -0.327 3.024 3.960 -1.015 0.000 0.217 287 G C 1.448 176.315 174.900 -0.054 0.000 1.168 287 G CA 1.174 46.238 45.100 -0.061 0.000 0.771 287 G HN 0.606 nan 8.290 nan 0.000 0.551 288 E N 0.269 120.447 120.200 -0.037 0.000 2.033 288 E HA 0.115 3.857 4.350 -1.015 0.000 0.189 288 E C 2.015 178.606 176.600 -0.015 0.000 0.979 288 E CA 0.921 57.309 56.400 -0.021 0.000 0.802 288 E CB -0.475 29.221 29.700 -0.007 0.000 0.763 288 E HN 0.479 nan 8.360 nan 0.000 0.449 296 L N 0.192 121.391 121.223 -0.041 0.000 2.431 296 L HA 0.701 4.433 4.340 -1.015 0.000 0.260 296 L C 1.243 178.111 176.870 -0.003 0.000 1.098 296 L CA 0.048 54.866 54.840 -0.036 0.000 0.800 296 L CB 1.478 43.477 42.059 -0.101 0.000 1.210 296 L HN 0.424 nan 8.230 nan 0.000 0.465 297 T N 0.290 114.867 114.554 0.037 0.000 2.507 297 T HA 0.222 3.964 4.350 -1.015 0.000 0.180 297 T C -0.529 174.246 174.700 0.126 0.000 0.681 297 T CA -0.106 62.037 62.100 0.071 0.000 1.959 297 T CB 0.771 69.686 68.868 0.077 0.000 2.896 297 T HN 0.613 nan 8.240 nan 0.000 0.391 298 E N 0.740 121.040 120.200 0.168 0.000 2.400 298 E HA 0.375 4.117 4.350 -1.015 0.000 0.285 298 E C -3.172 173.410 176.600 -0.028 0.000 1.005 298 E CA -1.655 54.858 56.400 0.189 0.000 0.816 298 E CB 1.378 31.133 29.700 0.092 0.000 1.220 298 E HN 0.030 nan 8.360 nan 0.000 0.426 299 P HA 0.020 nan 4.420 nan 0.000 0.263 299 P C 0.235 177.276 177.300 -0.432 0.000 1.168 299 P CA 0.571 63.293 63.100 -0.630 0.000 0.759 299 P CB 0.270 31.685 31.700 -0.476 0.000 0.782 300 I N 1.129 121.380 120.570 -0.531 0.000 4.312 300 I HA 0.390 3.951 4.170 -1.015 0.000 0.324 300 I C 0.171 176.115 176.117 -0.289 0.000 1.298 300 I CA 0.115 61.097 61.300 -0.529 0.000 1.231 300 I CB 0.770 38.107 38.000 -1.104 0.000 1.152 300 I HN 0.141 nan 8.210 nan 0.000 0.421 301 V N -0.032 119.730 119.914 -0.254 0.000 3.225 301 V HA 0.601 4.112 4.120 -1.015 0.000 0.293 301 V C -1.739 174.305 176.094 -0.084 0.000 1.405 301 V CA -0.228 62.019 62.300 -0.089 0.000 1.038 301 V CB 2.390 34.227 31.823 0.025 0.000 1.123 301 V HN 0.261 nan 8.190 nan 0.000 0.447 302 S N 4.001 119.709 115.700 0.014 0.000 2.677 302 S HA 0.874 4.735 4.470 -1.015 0.000 0.283 302 S C -1.273 173.391 174.600 0.106 0.000 1.159 302 S CA -0.386 57.786 58.200 -0.046 0.000 1.001 302 S CB 0.947 64.099 63.200 -0.081 0.000 1.032 302 S HN 1.374 nan 8.310 nan 0.000 0.487 303 F N 1.288 121.243 119.950 0.008 0.000 2.662 303 F HA 0.763 4.681 4.527 -1.015 0.000 0.312 303 F C -0.617 175.246 175.800 0.105 0.000 1.113 303 F CA -1.080 56.951 58.000 0.052 0.000 0.951 303 F CB 0.819 39.854 39.000 0.058 0.000 1.344 303 F HN 0.375 nan 8.300 nan 0.000 0.462 304 E N -0.067 120.335 120.200 0.336 0.000 2.222 304 E HA 0.372 4.113 4.350 -1.015 0.000 0.272 304 E C -1.745 175.130 176.600 0.458 0.000 0.982 304 E CA -0.948 55.624 56.400 0.287 0.000 0.842 304 E CB 1.892 31.710 29.700 0.197 0.000 1.144 304 E HN 0.750 nan 8.360 nan 0.000 0.397 305 H N 0.069 119.319 119.070 0.300 0.000 2.934 305 H HA 0.495 4.443 4.556 -1.015 0.000 0.340 305 H C -1.629 173.746 175.328 0.079 0.000 1.008 305 H CA -0.428 55.753 56.048 0.221 0.000 1.317 305 H CB 1.142 31.093 29.762 0.315 0.000 1.670 305 H HN 0.550 nan 8.280 nan 0.000 0.516 306 A N 4.501 127.058 122.820 -0.437 0.000 2.310 306 A HA 0.592 4.303 4.320 -1.015 0.000 0.299 306 A C -1.196 176.089 177.584 -0.497 0.000 1.147 306 A CA -0.283 51.596 52.037 -0.263 0.000 0.818 306 A CB 0.129 19.042 19.000 -0.146 0.000 1.096 306 A HN 0.498 nan 8.150 nan 0.000 0.495 307 F N 0.052 119.919 119.950 -0.139 0.000 2.631 307 F HA 0.449 4.368 4.527 -1.014 0.000 0.350 307 F C 1.696 177.507 175.800 0.018 0.000 1.080 307 F CA -0.378 57.584 58.000 -0.063 0.000 1.026 307 F CB 1.295 40.243 39.000 -0.087 0.000 1.347 307 F HN 0.477 nan 8.300 nan 0.000 0.501 308 S N -0.706 115.217 115.700 0.373 0.000 2.428 308 S HA -0.135 3.726 4.470 -1.015 0.000 0.230 308 S C 1.286 176.063 174.600 0.294 0.000 1.014 308 S CA 1.223 59.592 58.200 0.281 0.000 0.957 308 S CB -0.443 62.943 63.200 0.309 0.000 0.784 308 S HN 0.689 nan 8.310 nan 0.000 0.499 309 H N -0.377 118.766 119.070 0.122 0.000 2.923 309 H HA 0.547 4.495 4.556 -1.015 0.000 0.268 309 H C -0.207 175.148 175.328 0.046 0.000 1.148 309 H CA -0.482 55.603 56.048 0.062 0.000 1.146 309 H CB -0.416 29.363 29.762 0.030 0.000 1.607 309 H HN 0.341 nan 8.280 nan 0.000 0.566 310 L N -2.449 118.637 121.223 -0.229 0.000 2.866 310 L HA 0.615 4.346 4.340 -1.015 0.000 0.262 310 L C -1.872 175.037 176.870 0.064 0.000 0.986 310 L CA -1.213 53.516 54.840 -0.186 0.000 0.925 310 L CB 1.936 43.737 42.059 -0.431 0.000 1.484 310 L HN -0.225 nan 8.230 nan 0.000 0.414 311 V N 1.077 121.071 119.914 0.134 0.000 2.448 311 V HA 0.466 3.977 4.120 -1.015 0.000 0.295 311 V C -1.036 175.301 176.094 0.404 0.000 1.025 311 V CA -0.038 62.415 62.300 0.256 0.000 0.859 311 V CB 1.654 33.579 31.823 0.169 0.000 0.988 311 V HN 0.705 nan 8.190 nan 0.000 0.431 312 W N 3.744 125.240 121.300 0.328 0.000 2.335 312 W HA 0.466 4.518 4.660 -1.013 0.000 0.306 312 W C 0.370 176.967 176.519 0.130 0.000 1.216 312 W CA -1.027 56.468 57.345 0.251 0.000 1.237 312 W CB 0.596 30.306 29.460 0.416 0.000 1.243 312 W HN 0.546 nan 8.180 nan 0.000 0.493 313 Q N 3.773 123.704 119.800 0.217 0.000 2.456 313 Q HA 0.307 4.038 4.340 -1.015 0.000 0.234 313 Q C -0.482 175.456 176.000 -0.103 0.000 1.061 313 Q CA -0.571 55.263 55.803 0.051 0.000 0.896 313 Q CB 0.633 29.396 28.738 0.042 0.000 1.233 313 Q HN 0.216 nan 8.270 nan 0.000 0.506 314 L N 1.231 122.289 121.223 -0.274 0.000 2.439 314 L HA 0.547 4.278 4.340 -1.015 0.000 0.259 314 L C 0.304 176.926 176.870 -0.413 0.000 1.129 314 L CA -0.005 54.574 54.840 -0.434 0.000 0.803 314 L CB 1.406 43.038 42.059 -0.712 0.000 1.161 314 L HN 0.362 nan 8.230 nan 0.000 0.462 315 T N 0.479 114.840 114.554 -0.322 0.000 3.071 315 T HA 0.503 4.244 4.350 -1.015 0.000 0.311 315 T C -0.977 173.495 174.700 -0.380 0.000 1.042 315 T CA -0.497 61.403 62.100 -0.333 0.000 1.028 315 T CB 1.560 70.287 68.868 -0.235 0.000 1.068 315 T HN 0.206 nan 8.240 nan 0.000 0.451 316 V N 3.778 123.398 119.914 -0.490 0.000 2.427 316 V HA 0.627 4.138 4.120 -1.015 0.000 0.286 316 V C -0.892 174.796 176.094 -0.676 0.000 1.034 316 V CA -0.731 61.327 62.300 -0.403 0.000 0.893 316 V CB 0.770 32.442 31.823 -0.252 0.000 0.982 316 V HN 0.818 nan 8.190 nan 0.000 0.452 317 F N 5.011 124.841 119.950 -0.201 0.000 2.500 317 F HA 0.520 4.438 4.527 -1.015 0.000 0.349 317 F C -2.350 173.318 175.800 -0.219 0.000 1.127 317 F CA -2.420 55.461 58.000 -0.199 0.000 0.998 317 F CB 1.782 40.700 39.000 -0.138 0.000 1.237 317 F HN 0.329 nan 8.300 nan 0.000 0.439 318 P HA 0.370 nan 4.420 nan 0.000 0.272 318 P C -0.122 177.177 177.300 -0.002 0.000 1.223 318 P CA -0.212 62.822 63.100 -0.109 0.000 0.784 318 P CB 1.038 32.652 31.700 -0.142 0.000 0.923 319 G N 0.377 109.183 108.800 0.010 0.000 2.720 319 G HA2 0.553 3.904 3.960 -1.015 0.000 0.295 319 G HA3 0.553 3.904 3.960 -1.015 0.000 0.295 319 G C -1.758 173.167 174.900 0.041 0.000 1.437 319 G CA -0.647 44.469 45.100 0.027 0.000 0.886 319 G HN 0.439 nan 8.290 nan 0.000 0.509 320 R N -0.479 120.044 120.500 0.040 0.000 2.668 320 R HA 0.804 4.536 4.340 -1.015 0.000 0.279 320 R C -0.908 175.391 176.300 -0.002 0.000 0.976 320 R CA -0.707 55.415 56.100 0.037 0.000 0.978 320 R CB 1.501 31.829 30.300 0.047 0.000 1.133 320 R HN 0.653 nan 8.270 nan 0.000 0.484 321 L N 0.063 121.272 121.223 -0.023 0.000 2.445 321 L HA 0.671 4.402 4.340 -1.015 0.000 0.262 321 L C -1.660 175.135 176.870 -0.125 0.000 0.974 321 L CA -0.734 54.055 54.840 -0.085 0.000 0.822 321 L CB 2.195 44.181 42.059 -0.121 0.000 1.339 321 L HN 0.279 nan 8.230 nan 0.000 0.409 322 V N 2.357 122.188 119.914 -0.139 0.000 2.540 322 V HA 0.444 3.955 4.120 -1.015 0.000 0.302 322 V C -0.478 175.528 176.094 -0.147 0.000 1.035 322 V CA -0.448 61.789 62.300 -0.105 0.000 0.873 322 V CB 1.726 33.537 31.823 -0.020 0.000 0.992 322 V HN 0.798 nan 8.190 nan 0.000 0.428 323 H N 3.826 122.903 119.070 0.011 0.000 3.086 323 H HA 0.199 4.146 4.556 -1.015 0.000 0.265 323 H C 0.841 176.171 175.328 0.003 0.000 1.092 323 H CA 0.553 56.605 56.048 0.007 0.000 1.487 323 H CB 1.088 30.858 29.762 0.013 0.000 1.514 323 H HN 0.849 nan 8.280 nan 0.000 0.497 324 G N 2.212 111.055 108.800 0.071 0.000 3.651 324 G HA2 0.412 3.763 3.960 -1.015 0.000 0.279 324 G HA3 0.412 3.763 3.960 -1.015 0.000 0.279 324 G C 0.559 175.485 174.900 0.042 0.000 1.024 324 G CA 0.296 45.423 45.100 0.045 0.000 0.813 324 G HN 0.837 nan 8.290 nan 0.000 0.518 325 G N -0.013 108.829 108.800 0.070 0.000 2.340 325 G HA2 0.513 3.865 3.960 -1.015 0.000 0.299 325 G HA3 0.513 3.865 3.960 -1.015 0.000 0.299 325 G C -3.235 171.711 174.900 0.077 0.000 1.291 325 G CA -0.688 44.445 45.100 0.054 0.000 0.841 325 G HN 0.088 nan 8.290 nan 0.000 0.500 326 P HA 0.525 nan 4.420 nan 0.000 0.285 326 P C -0.403 176.935 177.300 0.064 0.000 1.259 326 P CA -0.555 62.580 63.100 0.058 0.000 0.794 326 P CB 1.639 33.363 31.700 0.041 0.000 0.940 327 V N 1.462 121.427 119.914 0.086 0.000 2.427 327 V HA 0.457 3.969 4.120 -1.015 0.000 0.268 327 V C 0.906 177.063 176.094 0.104 0.000 1.046 327 V CA 0.031 62.387 62.300 0.093 0.000 0.970 327 V CB -0.414 31.488 31.823 0.131 0.000 1.001 327 V HN 0.785 nan 8.190 nan 0.000 0.476 328 E N 3.058 123.322 120.200 0.108 0.000 2.235 328 E HA 0.681 4.423 4.350 -1.015 0.000 0.265 328 E C 0.287 177.000 176.600 0.188 0.000 0.940 328 E CA -0.257 56.215 56.400 0.119 0.000 0.819 328 E CB 0.853 30.602 29.700 0.083 0.000 1.206 328 E HN 1.052 nan 8.360 nan 0.000 0.409 329 E N 1.576 121.855 120.200 0.132 0.000 2.508 329 E HA 0.213 3.954 4.350 -1.015 0.000 0.266 329 E C -1.453 175.217 176.600 0.117 0.000 1.010 329 E CA -0.182 56.277 56.400 0.097 0.000 0.955 329 E CB -0.403 29.320 29.700 0.037 0.000 0.946 329 E HN 0.558 nan 8.360 nan 0.000 0.454 330 P HA 0.103 nan 4.420 nan 0.000 0.257 330 P C -0.860 176.338 177.300 -0.170 0.000 1.325 330 P CA -0.033 62.968 63.100 -0.164 0.000 0.850 330 P CB -0.195 31.312 31.700 -0.322 0.000 1.324 331 Y N 0.841 121.159 120.300 0.031 0.000 2.298 331 Y HA 0.454 4.395 4.550 -1.014 0.000 0.329 331 Y C 1.243 177.224 175.900 0.134 0.000 1.293 331 Y CA -0.162 57.989 58.100 0.085 0.000 1.388 331 Y CB 0.746 39.246 38.460 0.067 0.000 1.309 331 Y HN -0.203 nan 8.280 nan 0.000 0.544 332 R N 1.327 122.016 120.500 0.315 0.000 2.566 332 R HA 0.479 4.210 4.340 -1.015 0.000 0.271 332 R C -2.434 173.936 176.300 0.116 0.000 1.071 332 R CA -0.762 55.446 56.100 0.180 0.000 0.915 332 R CB 1.101 31.455 30.300 0.090 0.000 1.228 332 R HN 0.616 nan 8.270 nan 0.000 0.449 333 L N 3.492 124.778 121.223 0.106 0.000 2.262 333 L HA 0.808 4.540 4.340 -1.015 0.000 0.288 333 L C -1.102 175.810 176.870 0.070 0.000 1.035 333 L CA 0.028 54.935 54.840 0.112 0.000 0.820 333 L CB 1.315 43.471 42.059 0.162 0.000 1.204 333 L HN 0.769 nan 8.230 nan 0.000 0.424 334 A N 6.715 129.565 122.820 0.050 0.000 2.343 334 A HA 0.878 4.589 4.320 -1.015 0.000 0.316 334 A C -2.725 174.910 177.584 0.084 0.000 1.104 334 A CA -1.669 50.403 52.037 0.058 0.000 0.768 334 A CB 0.829 19.840 19.000 0.019 0.000 1.213 334 A HN 0.560 nan 8.150 nan 0.000 0.456 335 P HA 0.099 nan 4.420 nan 0.000 0.269 335 P C 0.754 178.107 177.300 0.090 0.000 1.209 335 P CA -0.007 63.151 63.100 0.096 0.000 0.776 335 P CB 0.732 32.479 31.700 0.078 0.000 0.876 336 E N 2.660 122.938 120.200 0.131 0.000 2.108 336 E HA -0.330 3.412 4.350 -1.015 0.000 0.203 336 E C 1.570 178.230 176.600 0.100 0.000 1.022 336 E CA 2.302 58.795 56.400 0.155 0.000 0.823 336 E CB -0.450 29.430 29.700 0.301 0.000 0.744 336 E HN 0.613 nan 8.360 nan 0.000 0.456 337 D N -0.340 120.118 120.400 0.096 0.000 2.378 337 D HA -0.061 3.970 4.640 -1.015 0.000 0.227 337 D C 1.158 177.478 176.300 0.034 0.000 1.012 337 D CA 0.979 55.021 54.000 0.069 0.000 0.905 337 D CB -0.262 40.575 40.800 0.062 0.000 0.895 337 D HN 0.421 nan 8.370 nan 0.000 0.532 338 E N -1.135 119.084 120.200 0.032 0.000 2.562 338 E HA 0.255 3.996 4.350 -1.015 0.000 0.214 338 E C 1.772 178.394 176.600 0.037 0.000 0.979 338 E CA -0.241 56.163 56.400 0.006 0.000 1.002 338 E CB 0.707 30.418 29.700 0.019 0.000 1.048 338 E HN 0.419 nan 8.360 nan 0.000 0.488 339 L N 1.775 123.028 121.223 0.049 0.000 2.083 339 L HA -0.186 3.546 4.340 -1.015 0.000 0.209 339 L C 2.390 179.353 176.870 0.156 0.000 1.083 339 L CA 1.450 56.356 54.840 0.110 0.000 0.752 339 L CB -0.423 41.485 42.059 -0.251 0.000 0.899 339 L HN 0.117 nan 8.230 nan 0.000 0.433 340 K N 0.369 120.788 120.400 0.031 0.000 2.585 340 K HA -0.074 3.637 4.320 -1.015 0.000 0.194 340 K C 1.561 178.154 176.600 -0.012 0.000 1.037 340 K CA 1.123 57.434 56.287 0.039 0.000 0.964 340 K CB -0.181 32.332 32.500 0.022 0.000 0.787 340 K HN 0.246 nan 8.250 nan 0.000 0.488 341 A N 0.239 122.976 122.820 -0.138 0.000 2.195 341 A HA 0.168 3.879 4.320 -1.015 0.000 0.210 341 A C -0.184 177.085 177.584 -0.524 0.000 1.165 341 A CA -0.178 51.646 52.037 -0.355 0.000 0.806 341 A CB -0.103 18.577 19.000 -0.533 0.000 0.847 341 A HN 0.298 nan 8.150 nan 0.000 0.482 342 Y N -0.791 119.407 120.300 -0.170 0.000 2.387 342 Y HA 0.572 4.513 4.550 -1.015 0.000 0.330 342 Y C 0.555 176.354 175.900 -0.168 0.000 1.133 342 Y CA -0.775 57.083 58.100 -0.404 0.000 1.152 342 Y CB 1.405 39.283 38.460 -0.970 0.000 1.215 342 Y HN 0.095 nan 8.280 nan 0.000 0.466 343 A N 3.893 126.733 122.820 0.032 0.000 2.316 343 A HA 0.584 4.295 4.320 -1.015 0.000 0.311 343 A C -1.162 176.383 177.584 -0.066 0.000 1.339 343 A CA -0.346 51.752 52.037 0.101 0.000 0.960 343 A CB -0.781 18.305 19.000 0.144 0.000 1.152 343 A HN 0.633 nan 8.150 nan 0.000 0.547 344 F N 3.827 123.836 119.950 0.099 0.000 2.432 344 F HA 0.510 4.428 4.527 -1.015 0.000 0.329 344 F C -1.624 174.198 175.800 0.037 0.000 1.076 344 F CA -2.278 55.751 58.000 0.048 0.000 1.018 344 F CB 1.432 40.464 39.000 0.053 0.000 1.201 344 F HN 0.383 nan 8.300 nan 0.000 0.489 345 P HA 0.045 nan 4.420 nan 0.000 0.273 345 P C 0.720 178.169 177.300 0.249 0.000 1.250 345 P CA -0.197 62.998 63.100 0.158 0.000 0.793 345 P CB 1.125 32.896 31.700 0.118 0.000 1.011 346 V N 0.623 120.666 119.914 0.214 0.000 2.407 346 V HA -0.236 3.275 4.120 -1.015 0.000 0.248 346 V C 2.765 178.921 176.094 0.104 0.000 1.055 346 V CA 2.719 65.138 62.300 0.197 0.000 1.049 346 V CB -1.723 30.265 31.823 0.276 0.000 0.662 346 V HN 0.703 nan 8.190 nan 0.000 0.455 347 S N -0.246 115.351 115.700 -0.171 0.000 2.353 347 S HA -0.306 3.555 4.470 -1.015 0.000 0.222 347 S C 1.903 176.743 174.600 0.399 0.000 1.035 347 S CA 1.915 60.106 58.200 -0.015 0.000 1.025 347 S CB -0.848 62.354 63.200 0.003 0.000 0.902 347 S HN 0.743 nan 8.310 nan 0.000 0.440 348 H N 1.182 120.433 119.070 0.302 0.000 2.502 348 H HA 0.110 4.057 4.556 -1.015 0.000 0.283 348 H C 2.437 177.977 175.328 0.354 0.000 1.015 348 H CA 1.100 57.393 56.048 0.409 0.000 1.298 348 H CB -0.017 29.995 29.762 0.416 0.000 1.411 348 H HN 0.574 nan 8.280 nan 0.000 0.556 349 Q N 0.579 120.591 119.800 0.354 0.000 2.124 349 Q HA -0.142 3.589 4.340 -1.015 0.000 0.202 349 Q C 2.372 178.522 176.000 0.250 0.000 0.977 349 Q CA 0.987 56.935 55.803 0.242 0.000 0.850 349 Q CB 0.068 28.934 28.738 0.214 0.000 0.901 349 Q HN 0.326 nan 8.270 nan 0.000 0.429 350 R N 0.105 120.726 120.500 0.200 0.000 2.073 350 R HA -0.087 3.644 4.340 -1.015 0.000 0.229 350 R C 2.156 178.521 176.300 0.107 0.000 1.120 350 R CA 0.699 56.832 56.100 0.055 0.000 0.967 350 R CB -0.066 30.136 30.300 -0.163 0.000 0.862 350 R HN 0.068 nan 8.270 nan 0.000 0.436 351 V N 0.738 120.828 119.914 0.293 0.000 2.250 351 V HA -0.355 3.156 4.120 -1.015 0.000 0.253 351 V C 2.062 178.279 176.094 0.205 0.000 1.065 351 V CA 2.323 64.790 62.300 0.278 0.000 1.039 351 V CB -0.733 31.234 31.823 0.241 0.000 0.647 351 V HN 0.588 nan 8.190 nan 0.000 0.446 352 W N 1.077 122.450 121.300 0.120 0.000 2.358 352 W HA -0.218 3.833 4.660 -1.015 0.000 0.303 352 W C 2.782 179.369 176.519 0.114 0.000 1.208 352 W CA 2.077 59.473 57.345 0.085 0.000 1.274 352 W CB -0.203 29.351 29.460 0.156 0.000 1.138 352 W HN 0.212 nan 8.180 nan 0.000 0.515 353 R N 0.717 121.291 120.500 0.122 0.000 2.081 353 R HA -0.187 3.544 4.340 -1.015 0.000 0.235 353 R C 1.953 178.206 176.300 -0.078 0.000 1.131 353 R CA 1.878 57.970 56.100 -0.013 0.000 0.960 353 R CB -0.551 29.769 30.300 0.034 0.000 0.856 353 R HN 0.034 nan 8.270 nan 0.000 0.436 354 E N 0.012 120.189 120.200 -0.038 0.000 2.077 354 E HA -0.230 3.511 4.350 -1.015 0.000 0.193 354 E C 1.736 178.335 176.600 -0.001 0.000 0.989 354 E CA 1.292 57.677 56.400 -0.025 0.000 0.800 354 E CB -0.546 29.158 29.700 0.007 0.000 0.746 354 E HN 0.461 nan 8.360 nan 0.000 0.452 355 Y N 1.940 122.130 120.300 -0.184 0.000 2.089 355 Y HA -0.190 3.751 4.550 -1.015 0.000 0.282 355 Y C 2.420 178.221 175.900 -0.164 0.000 1.139 355 Y CA 2.087 60.066 58.100 -0.202 0.000 1.123 355 Y CB -0.261 37.967 38.460 -0.386 0.000 0.980 355 Y HN -0.126 nan 8.280 nan 0.000 0.493 356 K N 0.355 120.409 120.400 -0.577 0.000 2.218 356 K HA -0.243 3.468 4.320 -1.015 0.000 0.205 356 K C 1.977 178.360 176.600 -0.361 0.000 1.046 356 K CA 1.909 57.816 56.287 -0.633 0.000 0.933 356 K CB -0.188 31.936 32.500 -0.627 0.000 0.728 356 K HN 0.777 nan 8.250 nan 0.000 0.454 357 E N -1.362 118.708 120.200 -0.216 0.000 2.250 357 E HA -0.151 3.591 4.350 -1.015 0.000 0.192 357 E C 1.872 178.415 176.600 -0.095 0.000 0.986 357 E CA 0.199 56.519 56.400 -0.134 0.000 0.849 357 E CB -0.469 29.184 29.700 -0.080 0.000 0.797 357 E HN 0.479 nan 8.360 nan 0.000 0.482 358 W N 2.230 123.379 121.300 -0.252 0.000 2.409 358 W HA 0.097 4.148 4.660 -1.015 0.000 0.299 358 W C 2.243 178.607 176.519 -0.259 0.000 1.203 358 W CA 1.844 59.061 57.345 -0.213 0.000 1.298 358 W CB -0.145 29.210 29.460 -0.175 0.000 1.127 358 W HN 0.119 nan 8.180 nan 0.000 0.528 359 A N 0.724 123.288 122.820 -0.428 0.000 2.024 359 A HA -0.107 3.604 4.320 -1.015 0.000 0.220 359 A C 1.720 178.956 177.584 -0.580 0.000 1.164 359 A CA 1.523 53.112 52.037 -0.747 0.000 0.643 359 A CB -1.443 17.183 19.000 -0.623 0.000 0.806 359 A HN 0.363 nan 8.150 nan 0.000 0.451 360 S N 0.000 115.454 115.700 -0.411 0.000 2.498 360 S HA 0.000 3.861 4.470 -1.015 0.000 0.327 360 S CA 0.000 58.022 58.200 -0.296 0.000 1.107 360 S CB 0.000 63.077 63.200 -0.205 0.000 0.593 360 S HN 0.000 nan 8.310 nan 0.000 0.517