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 2hcv_1_C DATA FIRST_RESID 4 DATA SEQUENCE FRIAQDVVAR ENDRRASALK EDYEALGANL ARRGVDIEAV TAKVEKFFVA DATA SEQUENCE VPSWGVGTGG TRFARFPGTG EPRGIFDKLD DCAVIQQLTR ATPNVSLHIP DATA SEQUENCE WDKADPKELK ARGDALGLGF DAMNSNTFSD APGQAHSYKY GSLSHTNAAT DATA SEQUENCE RAQAVEHNLE CIEIGKAIGS KALTVWIGDG SNFPGQSNFT RAFERYLSAM DATA SEQUENCE AEIYKGLPDD WKLFSEHKMY EPAFYSTVVQ DWGTNYLIAQ TLGPKAQCLV DATA SEQUENCE DLGHHAPNTN IEMIVARLIQ FGKLGGFHFN DSKYGDDDLD AGAIEPYRLF DATA SEQUENCE LVFNELVDAE ARGVKGFHPA HMIDQSHNVT DPIESLINSA NEIRRAYAQA DATA SEQUENCE LLVDRAALSG YQEDNDALMA TETLKRAYRT DVEPILAEAR RRTGGAVDPV DATA SEQUENCE ATYRASGYRA RVAAERPASV A 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 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.823 175.800 0.038 0.000 0.967 4 F CA 0.000 58.010 58.000 0.017 0.000 1.383 4 F CB 0.000 39.007 39.000 0.011 0.000 1.145 5 R N 1.084 121.687 120.500 0.173 0.000 2.092 5 R HA 0.128 4.468 4.340 -0.000 0.000 0.231 5 R C 0.396 176.810 176.300 0.190 0.000 1.119 5 R CA 1.035 57.237 56.100 0.170 0.000 0.970 5 R CB 0.123 30.461 30.300 0.063 0.000 0.864 5 R HN 0.336 nan 8.270 nan 0.000 0.440 6 I N 0.982 121.639 120.570 0.145 0.000 2.354 6 I HA 0.260 4.430 4.170 -0.000 0.000 0.292 6 I C 0.207 176.383 176.117 0.097 0.000 0.989 6 I CA -1.783 59.585 61.300 0.113 0.000 1.188 6 I CB 1.115 39.152 38.000 0.062 0.000 1.342 6 I HN -0.073 nan 8.210 nan 0.000 0.457 7 A N 6.180 129.034 122.820 0.058 0.000 2.567 7 A HA 0.007 4.327 4.320 -0.000 0.000 0.240 7 A C 1.265 178.808 177.584 -0.070 0.000 1.053 7 A CA 0.191 52.223 52.037 -0.008 0.000 0.755 7 A CB 0.040 19.035 19.000 -0.008 0.000 0.978 7 A HN 0.825 nan 8.150 nan 0.000 0.507 8 Q N 1.209 120.893 119.800 -0.193 0.000 2.226 8 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 8 Q C 1.268 177.188 176.000 -0.133 0.000 0.975 8 Q CA 1.553 57.217 55.803 -0.233 0.000 0.866 8 Q CB -0.083 28.389 28.738 -0.445 0.000 0.915 8 Q HN 1.010 nan 8.270 nan 0.000 0.440 9 D N -0.009 120.326 120.400 -0.107 0.000 2.224 9 D HA -0.105 4.535 4.640 -0.000 0.000 0.205 9 D C 1.784 178.056 176.300 -0.046 0.000 0.965 9 D CA 0.814 54.772 54.000 -0.070 0.000 0.852 9 D CB -0.074 40.690 40.800 -0.059 0.000 0.947 9 D HN 0.096 nan 8.370 nan 0.000 0.494 10 V N 1.086 120.977 119.914 -0.038 0.000 2.379 10 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 10 V C 2.903 178.987 176.094 -0.017 0.000 1.044 10 V CA 0.924 63.211 62.300 -0.021 0.000 1.036 10 V CB -0.101 31.717 31.823 -0.009 0.000 0.664 10 V HN 0.102 nan 8.190 nan 0.000 0.453 11 V N 0.466 120.367 119.914 -0.022 0.000 2.343 11 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 11 V C 2.708 178.789 176.094 -0.021 0.000 1.051 11 V CA 1.954 64.246 62.300 -0.014 0.000 1.036 11 V CB -1.154 30.662 31.823 -0.013 0.000 0.654 11 V HN 0.543 nan 8.190 nan 0.000 0.451 12 A N 0.126 122.925 122.820 -0.035 0.000 1.877 12 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 12 A C 2.428 179.996 177.584 -0.026 0.000 1.186 12 A CA 2.114 54.130 52.037 -0.035 0.000 0.620 12 A CB -0.585 18.388 19.000 -0.046 0.000 0.822 12 A HN 0.470 nan 8.150 nan 0.000 0.443 13 R N -0.608 119.877 120.500 -0.025 0.000 2.096 13 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 13 R C 1.621 177.912 176.300 -0.014 0.000 1.127 13 R CA 1.551 57.639 56.100 -0.019 0.000 0.968 13 R CB -0.131 30.157 30.300 -0.019 0.000 0.861 13 R HN 0.413 nan 8.270 nan 0.000 0.440 14 E N 0.178 120.372 120.200 -0.011 0.000 2.285 14 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 14 E C 1.293 177.889 176.600 -0.007 0.000 0.997 14 E CA 0.585 56.982 56.400 -0.006 0.000 0.845 14 E CB -0.090 29.610 29.700 0.001 0.000 0.782 14 E HN 0.355 nan 8.360 nan 0.000 0.491 15 N N 1.080 119.773 118.700 -0.011 0.000 2.220 15 N HA -0.083 4.657 4.740 -0.000 0.000 0.182 15 N C 1.245 176.745 175.510 -0.016 0.000 1.023 15 N CA 0.755 53.797 53.050 -0.013 0.000 0.856 15 N CB -0.180 38.297 38.487 -0.017 0.000 0.997 15 N HN 0.096 nan 8.380 nan 0.000 0.429 16 D N 0.684 121.074 120.400 -0.017 0.000 2.149 16 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 16 D C 1.815 178.107 176.300 -0.013 0.000 0.990 16 D CA 0.707 54.697 54.000 -0.017 0.000 0.839 16 D CB -0.110 40.680 40.800 -0.017 0.000 0.948 16 D HN 0.286 nan 8.370 nan 0.000 0.460 17 R N 0.600 121.093 120.500 -0.011 0.000 2.193 17 R HA -0.025 4.315 4.340 -0.000 0.000 0.229 17 R C 1.361 177.657 176.300 -0.008 0.000 1.110 17 R CA 0.923 57.018 56.100 -0.009 0.000 0.988 17 R CB 0.210 30.505 30.300 -0.007 0.000 0.871 17 R HN 0.091 nan 8.270 nan 0.000 0.458 18 R N -1.370 119.125 120.500 -0.008 0.000 2.476 18 R HA 0.255 4.595 4.340 -0.000 0.000 0.276 18 R C 1.589 177.883 176.300 -0.009 0.000 0.941 18 R CA 0.361 56.457 56.100 -0.007 0.000 1.088 18 R CB 0.765 31.062 30.300 -0.005 0.000 1.216 18 R HN 0.088 nan 8.270 nan 0.000 0.533 19 A N 0.958 123.770 122.820 -0.013 0.000 1.902 19 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 19 A C 2.137 179.714 177.584 -0.012 0.000 1.181 19 A CA 2.051 54.077 52.037 -0.018 0.000 0.623 19 A CB -0.512 18.475 19.000 -0.022 0.000 0.818 19 A HN 0.262 nan 8.150 nan 0.000 0.443 20 S N -0.383 115.311 115.700 -0.008 0.000 2.353 20 S HA -0.087 4.383 4.470 -0.000 0.000 0.222 20 S C 2.227 176.828 174.600 0.002 0.000 1.035 20 S CA 1.805 60.003 58.200 -0.004 0.000 1.025 20 S CB -0.563 62.635 63.200 -0.004 0.000 0.902 20 S HN 0.883 nan 8.310 nan 0.000 0.440 21 A N 1.226 124.047 122.820 0.001 0.000 1.933 21 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 21 A C 2.169 179.761 177.584 0.014 0.000 1.175 21 A CA 1.699 53.739 52.037 0.005 0.000 0.628 21 A CB -0.868 18.132 19.000 0.001 0.000 0.814 21 A HN 0.591 nan 8.150 nan 0.000 0.444 22 L N -0.056 121.175 121.223 0.013 0.000 2.046 22 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 22 L C 2.222 179.123 176.870 0.053 0.000 1.077 22 L CA 2.603 57.459 54.840 0.027 0.000 0.747 22 L CB -0.589 41.472 42.059 0.004 0.000 0.896 22 L HN 0.446 nan 8.230 nan 0.000 0.432 23 K N -0.817 119.600 120.400 0.028 0.000 2.057 23 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 23 K C 1.951 178.594 176.600 0.071 0.000 1.049 23 K CA 1.518 57.831 56.287 0.043 0.000 0.931 23 K CB -0.027 32.481 32.500 0.014 0.000 0.714 23 K HN 0.346 nan 8.250 nan 0.000 0.440 24 E N 1.138 121.363 120.200 0.042 0.000 2.051 24 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 24 E C 1.783 178.404 176.600 0.035 0.000 0.991 24 E CA 1.184 57.602 56.400 0.031 0.000 0.799 24 E CB -0.257 29.451 29.700 0.014 0.000 0.748 24 E HN 0.418 nan 8.360 nan 0.000 0.449 25 D N -0.144 120.281 120.400 0.042 0.000 2.117 25 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 25 D C 1.946 178.272 176.300 0.045 0.000 0.982 25 D CA 0.765 54.783 54.000 0.030 0.000 0.828 25 D CB -0.415 40.401 40.800 0.027 0.000 0.967 25 D HN 0.210 nan 8.370 nan 0.000 0.464 26 Y N 1.953 122.237 120.300 -0.027 0.000 2.181 26 Y HA -0.156 4.393 4.550 -0.000 0.000 0.288 26 Y C 2.158 178.043 175.900 -0.025 0.000 1.146 26 Y CA 1.593 59.677 58.100 -0.027 0.000 1.164 26 Y CB 0.135 38.582 38.460 -0.022 0.000 0.982 26 Y HN -0.034 nan 8.280 nan 0.000 0.515 27 E N -0.302 119.973 120.200 0.124 0.000 2.106 27 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 27 E C 2.325 178.905 176.600 -0.033 0.000 0.984 27 E CA 0.754 57.183 56.400 0.048 0.000 0.806 27 E CB -0.251 29.489 29.700 0.068 0.000 0.750 27 E HN 0.562 nan 8.360 nan 0.000 0.458 28 A N 1.588 124.389 122.820 -0.033 0.000 1.855 28 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 28 A C 2.199 179.730 177.584 -0.088 0.000 1.191 28 A CA 1.009 53.016 52.037 -0.049 0.000 0.613 28 A CB -0.576 18.401 19.000 -0.037 0.000 0.829 28 A HN 0.220 nan 8.150 nan 0.000 0.442 29 L N 0.321 121.469 121.223 -0.126 0.000 2.046 29 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 29 L C 2.375 179.121 176.870 -0.207 0.000 1.077 29 L CA 2.347 57.085 54.840 -0.170 0.000 0.747 29 L CB -1.135 40.797 42.059 -0.212 0.000 0.896 29 L HN 0.311 nan 8.230 nan 0.000 0.432 30 G N -1.001 107.636 108.800 -0.272 0.000 2.440 30 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 30 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 30 G C 1.586 176.408 174.900 -0.130 0.000 1.154 30 G CA 0.910 45.863 45.100 -0.245 0.000 0.767 30 G HN 0.652 nan 8.290 nan 0.000 0.552 31 A N 0.946 123.709 122.820 -0.095 0.000 1.898 31 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 31 A C 2.217 179.763 177.584 -0.064 0.000 1.181 31 A CA 1.817 53.816 52.037 -0.063 0.000 0.620 31 A CB -0.558 18.415 19.000 -0.046 0.000 0.819 31 A HN 0.448 nan 8.150 nan 0.000 0.442 32 N N 0.428 119.083 118.700 -0.076 0.000 2.120 32 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 32 N C 1.739 177.206 175.510 -0.071 0.000 1.024 32 N CA 1.558 54.566 53.050 -0.070 0.000 0.852 32 N CB -0.252 38.188 38.487 -0.077 0.000 1.003 32 N HN 0.499 nan 8.380 nan 0.000 0.424 33 L N 0.729 121.898 121.223 -0.090 0.000 2.141 33 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 33 L C 2.707 179.539 176.870 -0.064 0.000 1.094 33 L CA 1.041 55.831 54.840 -0.084 0.000 0.763 33 L CB -0.480 41.513 42.059 -0.111 0.000 0.908 33 L HN 0.179 nan 8.230 nan 0.000 0.437 34 A N 0.203 122.986 122.820 -0.062 0.000 1.902 34 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 34 A C 2.347 179.910 177.584 -0.035 0.000 1.181 34 A CA 1.349 53.359 52.037 -0.044 0.000 0.623 34 A CB -0.477 18.500 19.000 -0.040 0.000 0.818 34 A HN 0.306 nan 8.150 nan 0.000 0.443 35 R N -0.776 119.702 120.500 -0.037 0.000 2.200 35 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 35 R C 1.622 177.906 176.300 -0.026 0.000 1.127 35 R CA 1.190 57.273 56.100 -0.029 0.000 0.989 35 R CB -0.186 30.096 30.300 -0.031 0.000 0.869 35 R HN 0.438 nan 8.270 nan 0.000 0.459 36 R N -0.470 120.011 120.500 -0.031 0.000 2.359 36 R HA 0.086 4.426 4.340 -0.000 0.000 0.231 36 R C 0.659 176.946 176.300 -0.022 0.000 0.913 36 R CA 0.490 56.575 56.100 -0.025 0.000 1.075 36 R CB 0.829 31.111 30.300 -0.030 0.000 1.087 36 R HN 0.325 nan 8.270 nan 0.000 0.515 37 G N 1.126 109.912 108.800 -0.024 0.000 2.160 37 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.251 37 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.251 37 G C -0.069 174.816 174.900 -0.025 0.000 1.008 37 G CA 0.133 45.220 45.100 -0.021 0.000 0.724 37 G HN 0.158 nan 8.290 nan 0.000 0.514 38 V N 0.280 120.174 119.914 -0.034 0.000 2.495 38 V HA 0.546 4.666 4.120 -0.000 0.000 0.298 38 V C -0.306 175.760 176.094 -0.046 0.000 1.031 38 V CA -0.700 61.575 62.300 -0.040 0.000 0.871 38 V CB 2.005 33.798 31.823 -0.050 0.000 0.988 38 V HN 0.315 nan 8.190 nan 0.000 0.432 39 D N 3.465 123.842 120.400 -0.038 0.000 2.411 39 D HA 0.217 4.857 4.640 -0.000 0.000 0.225 39 D C 1.003 177.278 176.300 -0.042 0.000 1.156 39 D CA -0.180 53.800 54.000 -0.033 0.000 0.874 39 D CB 1.023 41.815 40.800 -0.014 0.000 1.034 39 D HN 0.525 nan 8.370 nan 0.000 0.502 40 I N 2.926 123.453 120.570 -0.073 0.000 2.315 40 I HA -0.285 3.885 4.170 -0.000 0.000 0.251 40 I C 1.751 177.863 176.117 -0.009 0.000 1.125 40 I CA 1.362 62.597 61.300 -0.107 0.000 1.392 40 I CB 0.286 38.121 38.000 -0.275 0.000 1.065 40 I HN 0.419 nan 8.210 nan 0.000 0.424 41 E N 1.287 121.511 120.200 0.040 0.000 2.106 41 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 41 E C 1.980 178.611 176.600 0.051 0.000 0.984 41 E CA 1.635 58.087 56.400 0.087 0.000 0.806 41 E CB -0.263 29.482 29.700 0.075 0.000 0.750 41 E HN 0.541 nan 8.360 nan 0.000 0.458 42 A N 0.052 122.885 122.820 0.021 0.000 1.930 42 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 42 A C 2.430 180.015 177.584 0.001 0.000 1.175 42 A CA 1.559 53.603 52.037 0.012 0.000 0.627 42 A CB -0.591 18.408 19.000 -0.002 0.000 0.815 42 A HN 0.199 nan 8.150 nan 0.000 0.443 43 V N -0.536 119.368 119.914 -0.018 0.000 2.283 43 V HA -0.197 3.923 4.120 -0.000 0.000 0.243 43 V C 2.696 178.785 176.094 -0.007 0.000 1.039 43 V CA 2.387 64.659 62.300 -0.047 0.000 1.016 43 V CB -1.444 30.331 31.823 -0.080 0.000 0.650 43 V HN 0.558 nan 8.190 nan 0.000 0.449 44 T N 0.787 115.366 114.554 0.041 0.000 2.699 44 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 44 T C 2.064 176.803 174.700 0.065 0.000 1.036 44 T CA 1.796 63.946 62.100 0.083 0.000 1.147 44 T CB -0.504 68.465 68.868 0.168 0.000 0.862 44 T HN 0.572 nan 8.240 nan 0.000 0.446 45 A N 1.533 124.388 122.820 0.059 0.000 1.940 45 A HA -0.140 4.179 4.320 -0.000 0.000 0.219 45 A C 2.279 179.900 177.584 0.063 0.000 1.176 45 A CA 1.578 53.648 52.037 0.055 0.000 0.631 45 A CB -0.387 18.643 19.000 0.050 0.000 0.814 45 A HN 0.467 nan 8.150 nan 0.000 0.446 46 K N -0.615 119.827 120.400 0.071 0.000 2.103 46 K HA 0.010 4.330 4.320 -0.000 0.000 0.204 46 K C 1.888 178.609 176.600 0.202 0.000 1.052 46 K CA 1.108 57.473 56.287 0.131 0.000 0.945 46 K CB -0.277 32.295 32.500 0.120 0.000 0.722 46 K HN 0.293 nan 8.250 nan 0.000 0.443 47 V N 2.913 122.915 119.914 0.147 0.000 2.287 47 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 47 V C 2.176 178.317 176.094 0.080 0.000 1.053 47 V CA 2.181 64.575 62.300 0.156 0.000 1.027 47 V CB -0.651 31.210 31.823 0.064 0.000 0.646 47 V HN 0.476 nan 8.190 nan 0.000 0.447 48 E N 0.477 120.707 120.200 0.049 0.000 2.463 48 E HA -0.215 4.135 4.350 -0.000 0.000 0.201 48 E C 1.545 178.103 176.600 -0.071 0.000 1.045 48 E CA 0.980 57.401 56.400 0.035 0.000 0.872 48 E CB -0.240 29.498 29.700 0.063 0.000 0.797 48 E HN 0.578 nan 8.360 nan 0.000 0.538 49 K N 0.105 120.394 120.400 -0.185 0.000 2.358 49 K HA 0.152 4.472 4.320 -0.000 0.000 0.200 49 K C -0.461 175.552 176.600 -0.978 0.000 1.030 49 K CA -0.370 55.624 56.287 -0.488 0.000 1.097 49 K CB 0.317 32.731 32.500 -0.144 0.000 0.862 49 K HN 0.027 nan 8.250 nan 0.000 0.534 50 F N 1.574 121.040 119.950 -0.807 0.000 2.411 50 F HA 0.331 4.858 4.527 -0.000 0.000 0.355 50 F C -0.708 174.673 175.800 -0.700 0.000 1.117 50 F CA -0.982 56.574 58.000 -0.739 0.000 1.139 50 F CB 0.365 38.982 39.000 -0.637 0.000 1.120 50 F HN -0.224 nan 8.300 nan 0.000 0.493 51 F N 5.094 124.624 119.950 -0.701 0.000 2.561 51 F HA 0.700 5.227 4.527 -0.000 0.000 0.321 51 F C -0.576 174.950 175.800 -0.458 0.000 1.065 51 F CA -1.461 56.297 58.000 -0.403 0.000 0.934 51 F CB 1.596 40.465 39.000 -0.217 0.000 1.215 51 F HN 0.226 nan 8.300 nan 0.000 0.471 52 V N 1.684 121.617 119.914 0.031 0.000 2.686 52 V HA 0.859 4.979 4.120 -0.000 0.000 0.306 52 V C -0.696 175.445 176.094 0.079 0.000 1.065 52 V CA -0.789 61.562 62.300 0.084 0.000 0.894 52 V CB 1.502 33.402 31.823 0.129 0.000 1.004 52 V HN 1.080 nan 8.190 nan 0.000 0.424 53 A N 5.113 127.988 122.820 0.091 0.000 2.407 53 A HA 0.633 4.953 4.320 -0.000 0.000 0.248 53 A C -0.171 177.408 177.584 -0.009 0.000 1.082 53 A CA 0.217 52.272 52.037 0.029 0.000 0.785 53 A CB 1.109 20.139 19.000 0.050 0.000 1.020 53 A HN 1.606 nan 8.150 nan 0.000 0.489 54 V N 3.863 123.734 119.914 -0.070 0.000 2.483 54 V HA 0.598 4.718 4.120 -0.000 0.000 0.295 54 V C -2.325 173.629 176.094 -0.233 0.000 1.035 54 V CA -2.275 59.947 62.300 -0.129 0.000 0.896 54 V CB 1.996 33.747 31.823 -0.120 0.000 0.986 54 V HN 0.841 nan 8.190 nan 0.000 0.447 55 P HA 0.169 nan 4.420 nan 0.000 0.282 55 P C 0.664 177.599 177.300 -0.609 0.000 1.262 55 P CA -0.006 62.526 63.100 -0.948 0.000 0.773 55 P CB 1.532 32.259 31.700 -1.623 0.000 0.879 56 S N 3.119 118.666 115.700 -0.255 0.000 2.400 56 S HA -0.180 4.290 4.470 -0.000 0.000 0.232 56 S C 1.449 176.129 174.600 0.134 0.000 1.025 56 S CA 0.764 59.000 58.200 0.059 0.000 0.993 56 S CB -1.345 62.021 63.200 0.276 0.000 0.808 56 S HN 0.692 nan 8.310 nan 0.000 0.478 57 W N 1.374 122.800 121.300 0.210 0.000 3.180 57 W HA 0.591 5.251 4.660 -0.000 0.000 0.254 57 W C 1.592 178.175 176.519 0.105 0.000 1.318 57 W CA -0.271 57.167 57.345 0.154 0.000 1.608 57 W CB -0.590 29.035 29.460 0.276 0.000 1.124 57 W HN 0.200 nan 8.180 nan 0.000 0.694 58 G N 0.620 109.281 108.800 -0.231 0.000 3.088 58 G HA2 0.022 3.982 3.960 -0.000 0.000 0.217 58 G HA3 0.022 3.982 3.960 -0.000 0.000 0.217 58 G C 1.028 175.991 174.900 0.105 0.000 1.159 58 G CA 0.498 45.574 45.100 -0.039 0.000 0.760 58 G HN 0.219 nan 8.290 nan 0.000 0.550 59 V N 0.755 120.688 119.914 0.030 0.000 2.871 59 V HA 0.174 4.294 4.120 -0.000 0.000 0.256 59 V C 1.835 177.970 176.094 0.069 0.000 1.082 59 V CA 1.132 63.448 62.300 0.028 0.000 1.105 59 V CB -0.265 31.575 31.823 0.027 0.000 0.713 59 V HN 0.319 nan 8.190 nan 0.000 0.473 60 G N -0.514 108.341 108.800 0.091 0.000 2.462 60 G HA2 0.432 4.392 3.960 -0.000 0.000 0.319 60 G HA3 0.432 4.392 3.960 -0.000 0.000 0.319 60 G C -0.340 174.627 174.900 0.111 0.000 1.171 60 G CA -0.252 44.898 45.100 0.084 0.000 0.920 60 G HN 0.145 nan 8.290 nan 0.000 0.499 61 T N 0.594 115.207 114.554 0.099 0.000 2.870 61 T HA 0.447 4.797 4.350 -0.000 0.000 0.300 61 T C 0.997 175.753 174.700 0.093 0.000 0.989 61 T CA 0.457 62.628 62.100 0.118 0.000 1.139 61 T CB 1.043 69.980 68.868 0.115 0.000 0.920 61 T HN 0.710 nan 8.240 nan 0.000 0.537 62 G N 1.281 110.142 108.800 0.102 0.000 2.557 62 G HA2 0.694 4.654 3.960 -0.000 0.000 0.292 62 G HA3 0.694 4.654 3.960 -0.000 0.000 0.292 62 G C -0.017 174.929 174.900 0.077 0.000 1.237 62 G CA -0.406 44.735 45.100 0.069 0.000 0.978 62 G HN 0.971 nan 8.290 nan 0.000 0.498 63 G N -1.922 106.914 108.800 0.060 0.000 2.687 63 G HA2 0.696 4.656 3.960 -0.000 0.000 0.291 63 G HA3 0.696 4.656 3.960 -0.000 0.000 0.291 63 G C -0.388 174.555 174.900 0.073 0.000 1.420 63 G CA 0.333 45.474 45.100 0.068 0.000 0.796 63 G HN 1.073 nan 8.290 nan 0.000 0.485 64 T N -2.869 111.741 114.554 0.094 0.000 2.870 64 T HA 0.434 4.784 4.350 -0.000 0.000 0.277 64 T C 1.458 176.175 174.700 0.028 0.000 1.000 64 T CA -0.228 61.934 62.100 0.104 0.000 0.982 64 T CB 1.592 70.591 68.868 0.218 0.000 1.249 64 T HN 0.777 nan 8.240 nan 0.000 0.589 65 R N -0.649 119.811 120.500 -0.066 0.000 2.280 65 R HA 0.120 4.460 4.340 -0.000 0.000 0.207 65 R C 1.100 177.198 176.300 -0.335 0.000 1.043 65 R CA 1.027 56.992 56.100 -0.225 0.000 1.006 65 R CB -0.676 29.422 30.300 -0.336 0.000 0.885 65 R HN 0.509 nan 8.270 nan 0.000 0.467 66 F N 0.851 120.815 119.950 0.024 0.000 2.446 66 F HA 0.406 4.933 4.527 -0.000 0.000 0.292 66 F C 1.084 176.861 175.800 -0.038 0.000 1.096 66 F CA 0.539 58.547 58.000 0.012 0.000 1.438 66 F CB 0.421 39.445 39.000 0.040 0.000 1.107 66 F HN 0.218 nan 8.300 nan 0.000 0.546 67 A N -0.333 122.534 122.820 0.078 0.000 2.549 67 A HA 0.638 4.958 4.320 -0.000 0.000 0.291 67 A C -1.265 176.166 177.584 -0.256 0.000 1.034 67 A CA -0.863 51.067 52.037 -0.179 0.000 0.655 67 A CB 0.966 19.740 19.000 -0.376 0.000 1.299 67 A HN 0.055 nan 8.150 nan 0.000 0.427 68 R N 0.307 120.538 120.500 -0.448 0.000 2.538 68 R HA 0.674 5.014 4.340 -0.000 0.000 0.292 68 R C -2.143 173.905 176.300 -0.420 0.000 1.008 68 R CA -0.469 55.469 56.100 -0.271 0.000 0.896 68 R CB 0.849 31.079 30.300 -0.117 0.000 1.187 68 R HN 0.587 nan 8.270 nan 0.000 0.440 69 F N 5.931 125.910 119.950 0.050 0.000 2.366 69 F HA 0.357 4.884 4.527 -0.000 0.000 0.357 69 F C -1.634 174.192 175.800 0.044 0.000 1.107 69 F CA -1.984 56.042 58.000 0.045 0.000 1.208 69 F CB 1.018 40.045 39.000 0.046 0.000 1.464 69 F HN 0.287 nan 8.300 nan 0.000 0.501 70 P HA 0.202 nan 4.420 nan 0.000 0.269 70 P C 0.297 177.669 177.300 0.119 0.000 1.215 70 P CA 0.054 63.222 63.100 0.113 0.000 0.780 70 P CB 1.439 33.178 31.700 0.065 0.000 0.898 71 G N 0.616 109.476 108.800 0.100 0.000 2.702 71 G HA2 0.546 4.506 3.960 -0.000 0.000 0.254 71 G HA3 0.546 4.506 3.960 -0.000 0.000 0.254 71 G C -0.362 174.579 174.900 0.069 0.000 1.380 71 G CA -0.401 44.752 45.100 0.087 0.000 1.042 71 G HN 0.661 nan 8.290 nan 0.000 0.557 72 T N -3.372 111.218 114.554 0.059 0.000 2.913 72 T HA 0.449 4.799 4.350 -0.000 0.000 0.287 72 T C 1.214 175.939 174.700 0.041 0.000 1.008 72 T CA 0.788 62.914 62.100 0.042 0.000 1.067 72 T CB 1.040 69.926 68.868 0.029 0.000 0.996 72 T HN 2.203 nan 8.240 nan 0.000 0.513 73 G N 1.415 110.230 108.800 0.025 0.000 2.273 73 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.280 73 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.280 73 G C -0.061 174.865 174.900 0.044 0.000 1.047 73 G CA -0.112 44.998 45.100 0.018 0.000 0.869 73 G HN 0.898 nan 8.290 nan 0.000 0.502 74 E N 0.987 121.216 120.200 0.048 0.000 2.415 74 E HA 0.164 4.514 4.350 -0.000 0.000 0.263 74 E C -1.675 174.959 176.600 0.057 0.000 0.995 74 E CA -1.270 55.163 56.400 0.057 0.000 0.915 74 E CB 0.729 30.458 29.700 0.048 0.000 0.951 74 E HN 0.363 nan 8.360 nan 0.000 0.449 75 P HA 0.051 nan 4.420 nan 0.000 0.267 75 P C 0.241 177.581 177.300 0.067 0.000 1.205 75 P CA 0.137 63.284 63.100 0.078 0.000 0.765 75 P CB 0.835 32.590 31.700 0.091 0.000 0.828 76 R N 2.042 122.588 120.500 0.076 0.000 2.062 76 R HA 0.141 4.481 4.340 -0.000 0.000 0.226 76 R C 1.447 177.797 176.300 0.083 0.000 1.125 76 R CA 1.359 57.502 56.100 0.071 0.000 0.966 76 R CB -0.172 30.173 30.300 0.075 0.000 0.861 76 R HN 0.610 nan 8.270 nan 0.000 0.433 77 G N -0.596 108.273 108.800 0.115 0.000 2.975 77 G HA2 0.250 4.210 3.960 -0.000 0.000 0.291 77 G HA3 0.250 4.210 3.960 -0.000 0.000 0.291 77 G C -0.009 174.952 174.900 0.101 0.000 1.334 77 G CA -0.657 44.516 45.100 0.121 0.000 0.843 77 G HN 0.019 nan 8.290 nan 0.000 0.548 78 I N -0.634 119.956 120.570 0.032 0.000 2.361 78 I HA 0.007 4.177 4.170 -0.000 0.000 0.251 78 I C 2.210 178.251 176.117 -0.127 0.000 1.133 78 I CA 1.372 62.631 61.300 -0.069 0.000 1.413 78 I CB -0.343 37.537 38.000 -0.200 0.000 1.073 78 I HN 0.376 nan 8.210 nan 0.000 0.424 79 F N 0.782 120.801 119.950 0.115 0.000 2.171 79 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 79 F C 2.323 178.180 175.800 0.095 0.000 1.090 79 F CA 1.573 59.634 58.000 0.102 0.000 1.293 79 F CB -0.892 38.158 39.000 0.083 0.000 1.013 79 F HN 0.119 nan 8.300 nan 0.000 0.486 80 D N 0.189 120.734 120.400 0.241 0.000 2.117 80 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 80 D C 2.131 178.518 176.300 0.145 0.000 0.982 80 D CA 1.081 55.187 54.000 0.176 0.000 0.828 80 D CB -0.308 40.577 40.800 0.141 0.000 0.967 80 D HN 0.223 nan 8.370 nan 0.000 0.464 81 K N 0.323 120.794 120.400 0.117 0.000 2.063 81 K HA -0.074 4.246 4.320 -0.000 0.000 0.208 81 K C 2.296 178.941 176.600 0.076 0.000 1.048 81 K CA 0.642 56.985 56.287 0.093 0.000 0.928 81 K CB -0.145 32.410 32.500 0.092 0.000 0.713 81 K HN 0.151 nan 8.250 nan 0.000 0.442 82 L N 1.053 122.322 121.223 0.078 0.000 2.046 82 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 82 L C 1.876 178.783 176.870 0.062 0.000 1.077 82 L CA 1.100 55.974 54.840 0.057 0.000 0.747 82 L CB -0.485 41.622 42.059 0.080 0.000 0.896 82 L HN 0.183 nan 8.230 nan 0.000 0.432 83 D N 0.059 120.529 120.400 0.116 0.000 2.149 83 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 83 D C 1.785 178.160 176.300 0.126 0.000 0.990 83 D CA 1.203 55.283 54.000 0.133 0.000 0.839 83 D CB -0.160 40.751 40.800 0.184 0.000 0.948 83 D HN 0.305 nan 8.370 nan 0.000 0.460 84 D N -0.475 120.004 120.400 0.133 0.000 2.149 84 D HA -0.063 4.577 4.640 -0.000 0.000 0.201 84 D C 2.124 178.408 176.300 -0.027 0.000 0.972 84 D CA 0.388 54.448 54.000 0.100 0.000 0.835 84 D CB -0.469 40.413 40.800 0.138 0.000 0.966 84 D HN 0.215 nan 8.370 nan 0.000 0.476 85 C N 1.178 120.461 119.300 -0.028 0.000 2.419 85 C HA 0.002 4.462 4.460 -0.000 0.000 0.281 85 C C 2.847 177.778 174.990 -0.098 0.000 1.336 85 C CA 0.599 59.570 59.018 -0.077 0.000 1.770 85 C CB -0.959 26.735 27.740 -0.077 0.000 1.929 85 C HN 0.347 nan 8.230 nan 0.000 0.509 86 A N 0.236 123.009 122.820 -0.078 0.000 1.972 86 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 86 A C 2.251 179.771 177.584 -0.106 0.000 1.169 86 A CA 1.924 53.907 52.037 -0.089 0.000 0.635 86 A CB -0.553 18.414 19.000 -0.056 0.000 0.810 86 A HN 0.383 nan 8.150 nan 0.000 0.446 87 V N 0.254 120.079 119.914 -0.149 0.000 2.307 87 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 87 V C 2.407 178.406 176.094 -0.159 0.000 1.045 87 V CA 2.039 64.213 62.300 -0.210 0.000 1.024 87 V CB -0.692 30.882 31.823 -0.416 0.000 0.651 87 V HN 0.593 nan 8.190 nan 0.000 0.449 88 I N 0.036 120.507 120.570 -0.165 0.000 2.163 88 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 88 I C 2.641 178.697 176.117 -0.101 0.000 1.085 88 I CA 1.888 63.100 61.300 -0.147 0.000 1.347 88 I CB -0.443 37.469 38.000 -0.147 0.000 1.044 88 I HN 0.353 nan 8.210 nan 0.000 0.408 89 Q N 1.219 120.959 119.800 -0.099 0.000 2.079 89 Q HA -0.256 4.084 4.340 -0.000 0.000 0.200 89 Q C 2.146 178.111 176.000 -0.058 0.000 0.974 89 Q CA 1.799 57.550 55.803 -0.086 0.000 0.840 89 Q CB -0.409 28.256 28.738 -0.121 0.000 0.898 89 Q HN 0.512 nan 8.270 nan 0.000 0.430 90 Q N -0.594 119.174 119.800 -0.053 0.000 2.084 90 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 90 Q C 1.918 177.922 176.000 0.006 0.000 0.978 90 Q CA 1.604 57.403 55.803 -0.007 0.000 0.844 90 Q CB -0.052 28.699 28.738 0.021 0.000 0.898 90 Q HN 0.531 nan 8.270 nan 0.000 0.426 91 L N -0.294 120.920 121.223 -0.015 0.000 2.162 91 L HA -0.040 4.300 4.340 -0.000 0.000 0.205 91 L C 2.548 179.414 176.870 -0.007 0.000 1.086 91 L CA 1.469 56.305 54.840 -0.007 0.000 0.778 91 L CB -0.285 41.764 42.059 -0.016 0.000 0.928 91 L HN 0.387 nan 8.230 nan 0.000 0.446 92 T N -5.007 109.537 114.554 -0.016 0.000 3.040 92 T HA 0.054 4.404 4.350 -0.000 0.000 0.252 92 T C 1.148 175.868 174.700 0.034 0.000 1.064 92 T CA -0.343 61.757 62.100 -0.000 0.000 1.110 92 T CB 0.224 69.084 68.868 -0.014 0.000 0.921 92 T HN 0.097 nan 8.240 nan 0.000 0.480 93 R N 0.394 120.912 120.500 0.030 0.000 3.863 93 R HA -0.160 4.180 4.340 -0.000 0.000 0.313 93 R C 0.875 177.274 176.300 0.166 0.000 1.202 93 R CA 0.884 57.023 56.100 0.065 0.000 0.852 93 R CB -2.422 27.931 30.300 0.087 0.000 1.292 93 R HN 0.718 nan 8.270 nan 0.000 0.519 94 A N -0.366 122.537 122.820 0.137 0.000 2.469 94 A HA 0.159 4.479 4.320 -0.000 0.000 0.245 94 A C 0.873 178.561 177.584 0.174 0.000 1.221 94 A CA 0.836 53.022 52.037 0.248 0.000 0.946 94 A CB 0.494 19.583 19.000 0.148 0.000 1.049 94 A HN 0.291 nan 8.150 nan 0.000 0.529 95 T N -2.346 112.222 114.554 0.023 0.000 3.514 95 T HA 0.355 4.705 4.350 -0.000 0.000 0.259 95 T C -1.916 172.694 174.700 -0.150 0.000 1.466 95 T CA -1.082 60.988 62.100 -0.050 0.000 1.562 95 T CB 1.008 69.842 68.868 -0.057 0.000 0.924 95 T HN 0.101 nan 8.240 nan 0.000 0.678 96 P HA 0.051 nan 4.420 nan 0.000 0.229 96 P C -0.248 176.882 177.300 -0.284 0.000 1.160 96 P CA 0.365 63.263 63.100 -0.337 0.000 0.777 96 P CB 0.283 31.636 31.700 -0.578 0.000 0.814 97 N N -0.349 118.218 118.700 -0.222 0.000 2.272 97 N HA 0.337 5.077 4.740 -0.000 0.000 0.305 97 N C -0.915 174.500 175.510 -0.158 0.000 1.103 97 N CA -0.614 52.314 53.050 -0.204 0.000 0.791 97 N CB 2.801 41.210 38.487 -0.130 0.000 1.356 97 N HN -0.256 nan 8.380 nan 0.000 0.486 98 V N 0.405 120.211 119.914 -0.179 0.000 2.628 98 V HA 0.379 4.499 4.120 -0.000 0.000 0.306 98 V C 0.225 176.370 176.094 0.086 0.000 1.045 98 V CA -0.711 61.545 62.300 -0.074 0.000 0.905 98 V CB 1.825 33.592 31.823 -0.093 0.000 0.997 98 V HN 0.642 nan 8.190 nan 0.000 0.436 99 S N 3.956 119.709 115.700 0.088 0.000 2.457 99 S HA 0.678 5.148 4.470 -0.000 0.000 0.289 99 S C -0.688 174.127 174.600 0.358 0.000 1.163 99 S CA -0.463 57.863 58.200 0.210 0.000 1.078 99 S CB 0.393 63.707 63.200 0.189 0.000 0.987 99 S HN 0.435 nan 8.310 nan 0.000 0.482 100 L N 4.761 126.208 121.223 0.374 0.000 2.360 100 L HA 0.539 4.879 4.340 -0.000 0.000 0.271 100 L C 0.286 177.395 176.870 0.399 0.000 1.057 100 L CA -0.196 54.879 54.840 0.392 0.000 0.803 100 L CB 1.171 43.362 42.059 0.220 0.000 1.207 100 L HN 0.665 nan 8.230 nan 0.000 0.445 101 H N 3.321 122.609 119.070 0.363 0.000 2.547 101 H HA 0.494 5.050 4.556 -0.000 0.000 0.342 101 H C -1.104 174.257 175.328 0.055 0.000 1.048 101 H CA -0.546 55.583 56.048 0.136 0.000 1.204 101 H CB 1.599 31.412 29.762 0.084 0.000 1.493 101 H HN 0.215 nan 8.280 nan 0.000 0.511 102 I N 6.583 127.204 120.570 0.086 0.000 2.493 102 I HA 0.196 4.366 4.170 -0.000 0.000 0.298 102 I C -1.644 174.502 176.117 0.047 0.000 0.998 102 I CA -2.713 58.634 61.300 0.077 0.000 1.137 102 I CB 1.842 39.844 38.000 0.003 0.000 1.310 102 I HN 0.461 nan 8.210 nan 0.000 0.445 103 P HA -0.021 nan 4.420 nan 0.000 0.253 103 P C 1.049 178.480 177.300 0.218 0.000 1.260 103 P CA 0.360 63.527 63.100 0.111 0.000 0.800 103 P CB 0.199 31.962 31.700 0.106 0.000 1.162 104 W N 1.924 123.291 121.300 0.113 0.000 2.321 104 W HA -0.108 4.552 4.660 -0.000 0.000 0.306 104 W C 0.968 177.549 176.519 0.103 0.000 1.217 104 W CA 1.156 58.559 57.345 0.097 0.000 1.257 104 W CB -1.601 27.919 29.460 0.101 0.000 1.145 104 W HN 0.115 nan 8.180 nan 0.000 0.509 105 D N -0.074 120.536 120.400 0.350 0.000 2.427 105 D HA 0.022 4.662 4.640 -0.000 0.000 0.224 105 D C 0.242 176.599 176.300 0.095 0.000 1.157 105 D CA 0.040 54.158 54.000 0.197 0.000 0.828 105 D CB -0.186 40.737 40.800 0.206 0.000 0.974 105 D HN -0.109 nan 8.370 nan 0.000 0.498 106 K N 1.589 122.058 120.400 0.116 0.000 2.472 106 K HA 0.307 4.627 4.320 -0.000 0.000 0.280 106 K C -0.498 176.139 176.600 0.062 0.000 1.028 106 K CA 0.033 56.364 56.287 0.073 0.000 1.045 106 K CB 0.222 32.775 32.500 0.087 0.000 0.902 106 K HN 0.106 nan 8.250 nan 0.000 0.478 107 A N 3.577 126.421 122.820 0.041 0.000 2.566 107 A HA 0.268 4.588 4.320 -0.000 0.000 0.290 107 A C -1.583 176.046 177.584 0.075 0.000 1.071 107 A CA -0.848 51.239 52.037 0.083 0.000 0.658 107 A CB 0.549 19.583 19.000 0.057 0.000 1.285 107 A HN 0.719 nan 8.150 nan 0.000 0.427 108 D N 0.917 121.396 120.400 0.131 0.000 2.389 108 D HA 0.327 4.967 4.640 -0.000 0.000 0.263 108 D C -1.484 174.861 176.300 0.075 0.000 1.255 108 D CA -0.830 53.227 54.000 0.095 0.000 0.914 108 D CB 0.831 41.696 40.800 0.109 0.000 1.116 108 D HN 0.116 nan 8.370 nan 0.000 0.502 109 P HA -0.223 nan 4.420 nan 0.000 0.217 109 P C 0.839 178.144 177.300 0.009 0.000 1.151 109 P CA 1.572 64.658 63.100 -0.023 0.000 0.849 109 P CB 0.178 31.859 31.700 -0.031 0.000 0.787 110 K N -0.461 119.963 120.400 0.041 0.000 2.097 110 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 110 K C 2.042 178.702 176.600 0.099 0.000 1.050 110 K CA 1.218 57.540 56.287 0.057 0.000 0.938 110 K CB -0.267 32.261 32.500 0.046 0.000 0.718 110 K HN 0.300 nan 8.250 nan 0.000 0.442 111 E N 0.877 121.163 120.200 0.144 0.000 2.107 111 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 111 E C 2.095 178.900 176.600 0.341 0.000 0.982 111 E CA 0.667 57.206 56.400 0.232 0.000 0.809 111 E CB -0.017 29.863 29.700 0.300 0.000 0.756 111 E HN 0.205 nan 8.360 nan 0.000 0.459 112 L N 0.902 122.272 121.223 0.244 0.000 1.994 112 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 112 L C 2.574 179.604 176.870 0.266 0.000 1.071 112 L CA 1.164 56.102 54.840 0.163 0.000 0.745 112 L CB -0.366 41.620 42.059 -0.121 0.000 0.892 112 L HN 0.018 nan 8.230 nan 0.000 0.431 113 K N 0.422 120.918 120.400 0.160 0.000 2.063 113 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 113 K C 1.989 178.714 176.600 0.208 0.000 1.048 113 K CA 1.651 58.077 56.287 0.231 0.000 0.928 113 K CB -0.396 32.174 32.500 0.117 0.000 0.713 113 K HN 0.275 nan 8.250 nan 0.000 0.442 114 A N 0.403 123.322 122.820 0.164 0.000 1.877 114 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 114 A C 2.189 179.855 177.584 0.137 0.000 1.186 114 A CA 1.815 53.928 52.037 0.126 0.000 0.620 114 A CB -0.573 18.489 19.000 0.103 0.000 0.822 114 A HN 0.278 nan 8.150 nan 0.000 0.443 115 R N 0.050 120.675 120.500 0.208 0.000 2.081 115 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 115 R C 2.155 178.537 176.300 0.137 0.000 1.131 115 R CA 1.822 58.046 56.100 0.207 0.000 0.960 115 R CB -1.351 29.169 30.300 0.367 0.000 0.856 115 R HN 0.414 nan 8.270 nan 0.000 0.436 116 G N 0.231 109.131 108.800 0.167 0.000 2.433 116 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 116 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 116 G C 1.008 175.887 174.900 -0.035 0.000 1.186 116 G CA 0.953 46.055 45.100 0.004 0.000 0.779 116 G HN 0.333 nan 8.290 nan 0.000 0.543 117 D N 1.142 121.558 120.400 0.028 0.000 2.149 117 D HA -0.076 4.564 4.640 -0.000 0.000 0.198 117 D C 2.738 179.019 176.300 -0.031 0.000 0.990 117 D CA 1.274 55.271 54.000 -0.005 0.000 0.839 117 D CB -0.368 40.448 40.800 0.027 0.000 0.948 117 D HN 0.337 nan 8.370 nan 0.000 0.460 118 A N 0.188 123.001 122.820 -0.011 0.000 2.066 118 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 118 A C 2.172 179.710 177.584 -0.076 0.000 1.157 118 A CA 0.557 52.575 52.037 -0.033 0.000 0.670 118 A CB -0.335 18.666 19.000 0.002 0.000 0.804 118 A HN 0.208 nan 8.150 nan 0.000 0.453 119 L N -1.464 119.716 121.223 -0.072 0.000 2.607 119 L HA 0.247 4.587 4.340 -0.000 0.000 0.228 119 L C 1.452 178.232 176.870 -0.150 0.000 1.123 119 L CA 0.458 55.234 54.840 -0.105 0.000 0.890 119 L CB 0.017 42.037 42.059 -0.065 0.000 1.103 119 L HN 0.522 nan 8.230 nan 0.000 0.468 120 G N 1.250 109.961 108.800 -0.148 0.000 2.198 120 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.257 120 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.257 120 G C -0.173 174.613 174.900 -0.191 0.000 1.042 120 G CA -0.023 44.979 45.100 -0.163 0.000 0.791 120 G HN 0.232 nan 8.290 nan 0.000 0.502 121 L N -0.349 120.744 121.223 -0.217 0.000 2.362 121 L HA 0.810 5.150 4.340 -0.000 0.000 0.271 121 L C 0.956 177.572 176.870 -0.423 0.000 1.002 121 L CA -0.531 54.121 54.840 -0.314 0.000 0.818 121 L CB 2.043 43.898 42.059 -0.339 0.000 1.298 121 L HN 0.234 nan 8.230 nan 0.000 0.420 122 G N 0.751 109.284 108.800 -0.445 0.000 2.887 122 G HA2 0.740 4.700 3.960 -0.000 0.000 0.277 122 G HA3 0.740 4.700 3.960 -0.000 0.000 0.277 122 G C -1.488 173.016 174.900 -0.660 0.000 1.346 122 G CA -0.419 44.430 45.100 -0.417 0.000 1.058 122 G HN 0.278 nan 8.290 nan 0.000 0.535 123 F N -0.330 119.590 119.950 -0.051 0.000 2.540 123 F HA 0.383 4.910 4.527 -0.000 0.000 0.317 123 F C 0.366 176.132 175.800 -0.057 0.000 1.104 123 F CA -0.835 57.142 58.000 -0.039 0.000 0.913 123 F CB 2.326 41.312 39.000 -0.022 0.000 1.170 123 F HN 0.360 nan 8.300 nan 0.000 0.450 124 D N 0.985 121.459 120.400 0.125 0.000 2.475 124 D HA 0.523 5.163 4.640 -0.000 0.000 0.286 124 D C -0.132 176.194 176.300 0.044 0.000 1.205 124 D CA -0.258 53.777 54.000 0.058 0.000 1.092 124 D CB 1.334 42.175 40.800 0.068 0.000 1.147 124 D HN 0.622 nan 8.370 nan 0.000 0.575 125 A N 0.579 123.430 122.820 0.053 0.000 2.531 125 A HA 0.174 4.493 4.320 -0.000 0.000 0.236 125 A C 0.612 178.243 177.584 0.079 0.000 1.062 125 A CA 0.104 52.155 52.037 0.023 0.000 0.760 125 A CB 0.041 19.145 19.000 0.173 0.000 0.995 125 A HN 0.418 nan 8.150 nan 0.000 0.501 126 M N 1.955 121.568 119.600 0.021 0.000 2.228 126 M HA 0.227 4.707 4.480 -0.000 0.000 0.326 126 M C 0.008 176.334 176.300 0.043 0.000 1.122 126 M CA 0.113 55.447 55.300 0.057 0.000 1.161 126 M CB 0.211 32.855 32.600 0.074 0.000 1.437 126 M HN 0.665 nan 8.290 nan 0.000 0.465 127 N N 0.856 119.515 118.700 -0.068 0.000 2.410 127 N HA 0.297 5.037 4.740 -0.000 0.000 0.287 127 N C -0.942 174.336 175.510 -0.386 0.000 1.044 127 N CA -0.210 52.676 53.050 -0.272 0.000 0.881 127 N CB 1.804 39.916 38.487 -0.626 0.000 1.405 127 N HN 0.628 nan 8.380 nan 0.000 0.490 128 S N 1.561 117.167 115.700 -0.155 0.000 2.632 128 S HA 0.344 4.814 4.470 -0.000 0.000 0.267 128 S C 0.037 174.672 174.600 0.058 0.000 1.276 128 S CA -0.693 57.517 58.200 0.017 0.000 0.998 128 S CB 1.543 64.789 63.200 0.078 0.000 0.953 128 S HN 0.544 nan 8.310 nan 0.000 0.547 129 N N 0.707 119.458 118.700 0.085 0.000 2.617 129 N HA 0.250 4.990 4.740 -0.000 0.000 0.263 129 N C -0.614 174.443 175.510 -0.754 0.000 1.074 129 N CA -0.367 52.379 53.050 -0.508 0.000 0.841 129 N CB 1.278 39.301 38.487 -0.772 0.000 1.221 129 N HN 0.856 nan 8.380 nan 0.000 0.529 130 T N 0.014 114.176 114.554 -0.654 0.000 3.380 130 T HA 0.226 4.576 4.350 -0.000 0.000 0.289 130 T C 0.351 174.660 174.700 -0.652 0.000 1.012 130 T CA -0.497 61.057 62.100 -0.911 0.000 0.944 130 T CB -1.236 66.985 68.868 -1.079 0.000 1.172 130 T HN 0.254 nan 8.240 nan 0.000 0.502 131 F N 0.517 120.298 119.950 -0.282 0.000 2.668 131 F HA 0.692 5.219 4.527 -0.000 0.000 0.301 131 F C 0.102 175.895 175.800 -0.012 0.000 1.106 131 F CA -1.055 56.834 58.000 -0.185 0.000 1.289 131 F CB -0.244 38.618 39.000 -0.230 0.000 1.006 131 F HN 0.325 nan 8.300 nan 0.000 0.535 132 S N -1.463 114.180 115.700 -0.094 0.000 2.567 132 S HA 0.439 4.909 4.470 -0.000 0.000 0.270 132 S C -1.837 172.785 174.600 0.037 0.000 1.152 132 S CA -1.009 57.206 58.200 0.025 0.000 0.835 132 S CB 1.902 65.117 63.200 0.025 0.000 1.115 132 S HN 0.025 nan 8.310 nan 0.000 0.459 133 D N 1.089 121.504 120.400 0.025 0.000 2.175 133 D HA 0.721 5.361 4.640 -0.000 0.000 0.248 133 D C 0.085 176.365 176.300 -0.034 0.000 1.047 133 D CA -0.034 53.941 54.000 -0.041 0.000 0.883 133 D CB 1.765 42.519 40.800 -0.077 0.000 1.180 133 D HN 0.872 nan 8.370 nan 0.000 0.438 134 A N 2.361 125.144 122.820 -0.061 0.000 2.299 134 A HA 0.687 5.007 4.320 -0.000 0.000 0.332 134 A C -2.426 175.137 177.584 -0.035 0.000 1.131 134 A CA -1.428 50.593 52.037 -0.027 0.000 0.844 134 A CB 0.411 19.395 19.000 -0.027 0.000 1.251 134 A HN 0.319 nan 8.150 nan 0.000 0.486 135 P HA 0.322 nan 4.420 nan 0.000 0.268 135 P C 0.848 178.129 177.300 -0.032 0.000 1.204 135 P CA 1.771 64.861 63.100 -0.017 0.000 0.768 135 P CB 0.644 32.346 31.700 0.003 0.000 0.842 136 G N 1.373 110.146 108.800 -0.045 0.000 2.153 136 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.252 136 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.252 136 G C 0.193 175.042 174.900 -0.085 0.000 0.994 136 G CA -0.064 45.002 45.100 -0.056 0.000 0.698 136 G HN 0.673 nan 8.290 nan 0.000 0.521 137 Q N -0.133 119.603 119.800 -0.108 0.000 2.296 137 Q HA 0.656 4.996 4.340 -0.000 0.000 0.262 137 Q C 1.666 177.538 176.000 -0.213 0.000 0.981 137 Q CA 0.466 56.173 55.803 -0.159 0.000 0.905 137 Q CB 0.858 29.479 28.738 -0.195 0.000 1.186 137 Q HN 0.618 nan 8.270 nan 0.000 0.399 138 A N 5.038 127.695 122.820 -0.271 0.000 1.873 138 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 138 A C 0.281 177.500 177.584 -0.608 0.000 1.186 138 A CA 1.089 52.859 52.037 -0.445 0.000 0.616 138 A CB -0.124 18.551 19.000 -0.542 0.000 0.823 138 A HN 0.807 nan 8.150 nan 0.000 0.442 139 H N -0.728 118.207 119.070 -0.225 0.000 2.495 139 H HA 0.456 5.012 4.556 -0.000 0.000 0.348 139 H C -0.609 174.467 175.328 -0.421 0.000 1.113 139 H CA -0.504 55.381 56.048 -0.271 0.000 1.195 139 H CB 1.487 31.088 29.762 -0.268 0.000 1.521 139 H HN 0.259 nan 8.280 nan 0.000 0.509 140 S N 1.704 117.301 115.700 -0.171 0.000 2.565 140 S HA 0.096 4.566 4.470 -0.000 0.000 0.274 140 S C 0.069 174.579 174.600 -0.149 0.000 1.309 140 S CA -0.425 57.650 58.200 -0.208 0.000 1.043 140 S CB 0.228 63.390 63.200 -0.063 0.000 0.939 140 S HN 0.443 nan 8.310 nan 0.000 0.504 141 Y N 2.942 123.250 120.300 0.013 0.000 2.495 141 Y HA 0.287 4.836 4.550 -0.000 0.000 0.293 141 Y C 1.814 177.731 175.900 0.029 0.000 1.186 141 Y CA -0.427 57.700 58.100 0.046 0.000 1.266 141 Y CB -0.465 37.981 38.460 -0.024 0.000 1.101 141 Y HN 0.733 nan 8.280 nan 0.000 0.517 142 K N 0.019 120.459 120.400 0.068 0.000 2.044 142 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 142 K C 0.272 176.722 176.600 -0.250 0.000 1.049 142 K CA 1.910 58.093 56.287 -0.174 0.000 0.927 142 K CB -0.192 32.060 32.500 -0.414 0.000 0.713 142 K HN 0.318 nan 8.250 nan 0.000 0.443 143 Y N -0.126 120.264 120.300 0.151 0.000 2.625 143 Y HA 0.338 4.888 4.550 0.000 0.000 0.285 143 Y C 0.579 176.448 175.900 -0.052 0.000 1.168 143 Y CA 0.179 58.280 58.100 0.003 0.000 1.250 143 Y CB 1.017 39.400 38.460 -0.127 0.000 1.130 143 Y HN 0.321 nan 8.280 nan 0.000 0.526 144 G N -0.641 108.295 108.800 0.227 0.000 2.354 144 G HA2 0.192 4.152 3.960 -0.000 0.000 0.582 144 G HA3 0.192 4.152 3.960 -0.000 0.000 0.582 144 G C -0.001 175.104 174.900 0.341 0.000 1.316 144 G CA -0.245 44.970 45.100 0.193 0.000 0.995 144 G HN 0.304 nan 8.290 nan 0.000 0.573 145 S N -1.221 114.572 115.700 0.155 0.000 4.163 145 S HA 0.351 4.821 4.470 -0.000 0.000 0.164 145 S C 2.026 176.673 174.600 0.078 0.000 0.896 145 S CA 0.599 58.829 58.200 0.050 0.000 1.125 145 S CB -0.256 62.631 63.200 -0.521 0.000 1.698 145 S HN 0.941 nan 8.310 nan 0.000 0.817 146 L N 2.828 124.048 121.223 -0.005 0.000 2.353 146 L HA 0.061 4.401 4.340 -0.000 0.000 0.220 146 L C 2.082 179.002 176.870 0.084 0.000 1.133 146 L CA 1.428 56.272 54.840 0.007 0.000 0.798 146 L CB -0.491 41.526 42.059 -0.070 0.000 0.922 146 L HN 0.717 nan 8.230 nan 0.000 0.445 147 S N -3.402 112.391 115.700 0.156 0.000 2.650 147 S HA 0.057 4.527 4.470 -0.000 0.000 0.240 147 S C 0.673 175.367 174.600 0.157 0.000 1.007 147 S CA -0.610 57.693 58.200 0.173 0.000 0.984 147 S CB -0.269 63.061 63.200 0.217 0.000 0.910 147 S HN 0.292 nan 8.310 nan 0.000 0.509 148 H N 2.988 122.109 119.070 0.085 0.000 2.948 148 H HA 0.048 4.604 4.556 -0.000 0.000 0.351 148 H C 1.607 176.967 175.328 0.054 0.000 1.079 148 H CA 1.711 57.814 56.048 0.091 0.000 1.407 148 H CB 1.405 31.234 29.762 0.111 0.000 1.373 148 H HN 0.451 nan 8.280 nan 0.000 0.605 149 T N 1.011 115.636 114.554 0.120 0.000 2.962 149 T HA -0.159 4.191 4.350 -0.000 0.000 0.270 149 T C 0.926 175.744 174.700 0.198 0.000 1.088 149 T CA 0.639 62.812 62.100 0.121 0.000 1.127 149 T CB -0.068 68.804 68.868 0.007 0.000 0.883 149 T HN 0.417 nan 8.240 nan 0.000 0.493 150 N N 0.990 119.939 118.700 0.414 0.000 2.422 150 N HA 0.548 5.288 4.740 -0.000 0.000 0.264 150 N C 1.108 176.597 175.510 -0.035 0.000 1.063 150 N CA 0.298 53.396 53.050 0.079 0.000 0.959 150 N CB 1.099 39.516 38.487 -0.117 0.000 1.087 150 N HN 0.194 nan 8.380 nan 0.000 0.483 151 A N 3.934 126.726 122.820 -0.047 0.000 1.908 151 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 151 A C 2.044 179.564 177.584 -0.106 0.000 1.181 151 A CA 2.008 54.012 52.037 -0.055 0.000 0.627 151 A CB -1.147 17.828 19.000 -0.042 0.000 0.818 151 A HN 0.766 nan 8.150 nan 0.000 0.445 152 A N -1.326 121.378 122.820 -0.193 0.000 2.015 152 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 152 A C 2.237 179.623 177.584 -0.330 0.000 1.163 152 A CA 2.136 54.020 52.037 -0.255 0.000 0.646 152 A CB -0.989 17.804 19.000 -0.345 0.000 0.806 152 A HN 0.449 nan 8.150 nan 0.000 0.448 153 T N -0.454 113.841 114.554 -0.432 0.000 2.812 153 T HA -0.071 4.279 4.350 -0.000 0.000 0.264 153 T C 2.051 176.735 174.700 -0.026 0.000 1.042 153 T CA 1.216 63.135 62.100 -0.301 0.000 1.140 153 T CB -0.175 68.350 68.868 -0.573 0.000 0.870 153 T HN 0.510 nan 8.240 nan 0.000 0.445 154 R N 1.171 121.656 120.500 -0.025 0.000 2.075 154 R HA 0.066 4.406 4.340 -0.000 0.000 0.232 154 R C 2.835 179.145 176.300 0.015 0.000 1.126 154 R CA 1.260 57.377 56.100 0.028 0.000 0.963 154 R CB -0.500 29.812 30.300 0.019 0.000 0.858 154 R HN 0.348 nan 8.270 nan 0.000 0.435 155 A N 1.250 124.065 122.820 -0.008 0.000 1.902 155 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 155 A C 2.132 179.737 177.584 0.035 0.000 1.181 155 A CA 1.426 53.463 52.037 0.001 0.000 0.623 155 A CB -0.526 18.467 19.000 -0.012 0.000 0.818 155 A HN 0.393 nan 8.150 nan 0.000 0.443 156 Q N -0.549 119.291 119.800 0.066 0.000 2.124 156 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 156 Q C 2.106 178.205 176.000 0.165 0.000 0.977 156 Q CA 1.469 57.341 55.803 0.115 0.000 0.850 156 Q CB -0.305 28.518 28.738 0.143 0.000 0.901 156 Q HN 0.597 nan 8.270 nan 0.000 0.429 157 A N -0.037 122.890 122.820 0.178 0.000 1.897 157 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 157 A C 2.186 179.812 177.584 0.070 0.000 1.181 157 A CA 1.232 53.344 52.037 0.125 0.000 0.620 157 A CB -0.578 18.428 19.000 0.009 0.000 0.821 157 A HN 0.283 nan 8.150 nan 0.000 0.443 158 V N 0.227 120.159 119.914 0.030 0.000 2.295 158 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 158 V C 2.634 178.728 176.094 0.001 0.000 1.049 158 V CA 2.450 64.745 62.300 -0.008 0.000 1.024 158 V CB -0.703 31.103 31.823 -0.028 0.000 0.648 158 V HN 0.716 nan 8.190 nan 0.000 0.447 159 E N -0.032 120.182 120.200 0.024 0.000 2.085 159 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 159 E C 2.217 178.830 176.600 0.022 0.000 0.994 159 E CA 1.782 58.190 56.400 0.014 0.000 0.801 159 E CB -0.531 29.186 29.700 0.027 0.000 0.743 159 E HN 0.751 nan 8.360 nan 0.000 0.453 160 H N 0.164 119.226 119.070 -0.014 0.000 2.352 160 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 160 H C 1.668 176.968 175.328 -0.046 0.000 1.097 160 H CA 1.715 57.750 56.048 -0.022 0.000 1.311 160 H CB 0.001 29.761 29.762 -0.003 0.000 1.377 160 H HN 0.214 nan 8.280 nan 0.000 0.504 161 N N 0.668 119.302 118.700 -0.109 0.000 2.166 161 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 161 N C 2.332 177.738 175.510 -0.174 0.000 1.019 161 N CA 0.986 53.940 53.050 -0.159 0.000 0.856 161 N CB -0.047 38.406 38.487 -0.057 0.000 0.993 161 N HN 0.387 nan 8.380 nan 0.000 0.426 162 L N 1.155 122.295 121.223 -0.140 0.000 2.141 162 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 162 L C 2.460 179.228 176.870 -0.169 0.000 1.094 162 L CA 0.969 55.718 54.840 -0.152 0.000 0.763 162 L CB -0.348 41.640 42.059 -0.119 0.000 0.908 162 L HN 0.224 nan 8.230 nan 0.000 0.437 163 E N -0.204 119.894 120.200 -0.170 0.000 2.106 163 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 163 E C 2.319 178.810 176.600 -0.181 0.000 0.984 163 E CA 1.339 57.643 56.400 -0.160 0.000 0.806 163 E CB 0.036 29.651 29.700 -0.143 0.000 0.750 163 E HN 0.526 nan 8.360 nan 0.000 0.458 164 C N 0.435 119.585 119.300 -0.251 0.000 2.425 164 C HA -0.075 4.385 4.460 -0.000 0.000 0.277 164 C C 2.505 177.457 174.990 -0.062 0.000 1.280 164 C CA 0.363 59.270 59.018 -0.185 0.000 1.744 164 C CB -0.808 26.796 27.740 -0.227 0.000 1.989 164 C HN 0.496 nan 8.230 nan 0.000 0.491 165 I N 0.572 121.071 120.570 -0.118 0.000 2.252 165 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 165 I C 2.576 178.557 176.117 -0.227 0.000 1.102 165 I CA 1.251 62.416 61.300 -0.225 0.000 1.385 165 I CB -0.559 37.176 38.000 -0.441 0.000 1.064 165 I HN 0.315 nan 8.210 nan 0.000 0.414 166 E N 0.974 121.065 120.200 -0.182 0.000 2.077 166 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 166 E C 2.290 178.850 176.600 -0.068 0.000 0.989 166 E CA 1.324 57.642 56.400 -0.137 0.000 0.800 166 E CB -0.236 29.394 29.700 -0.117 0.000 0.746 166 E HN 0.534 nan 8.360 nan 0.000 0.452 167 I N 0.607 121.146 120.570 -0.051 0.000 2.226 167 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 167 I C 2.471 178.588 176.117 0.000 0.000 1.100 167 I CA 1.264 62.541 61.300 -0.038 0.000 1.374 167 I CB -0.557 37.412 38.000 -0.052 0.000 1.057 167 I HN 0.110 nan 8.210 nan 0.000 0.413 168 G N 0.973 109.839 108.800 0.109 0.000 2.418 168 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 168 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 168 G C 1.715 176.804 174.900 0.315 0.000 1.158 168 G CA 0.520 45.771 45.100 0.251 0.000 0.771 168 G HN 0.322 nan 8.290 nan 0.000 0.545 169 K N 0.592 121.173 120.400 0.302 0.000 2.147 169 K HA 0.094 4.414 4.320 -0.000 0.000 0.205 169 K C 2.766 179.427 176.600 0.102 0.000 1.049 169 K CA 0.956 57.376 56.287 0.223 0.000 0.936 169 K CB -0.132 32.371 32.500 0.005 0.000 0.722 169 K HN 0.279 nan 8.250 nan 0.000 0.446 170 A N 1.367 124.211 122.820 0.040 0.000 2.016 170 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 170 A C 1.961 179.540 177.584 -0.009 0.000 1.162 170 A CA 0.903 52.944 52.037 0.006 0.000 0.662 170 A CB -0.492 18.496 19.000 -0.019 0.000 0.812 170 A HN 0.459 nan 8.150 nan 0.000 0.450 171 I N -5.916 114.628 120.570 -0.044 0.000 4.018 171 I HA 0.517 4.687 4.170 -0.000 0.000 0.337 171 I C 1.060 177.197 176.117 0.032 0.000 1.327 171 I CA 0.628 61.863 61.300 -0.109 0.000 1.100 171 I CB 0.414 38.125 38.000 -0.483 0.000 1.025 171 I HN 0.304 nan 8.210 nan 0.000 0.396 172 G N 1.495 110.337 108.800 0.069 0.000 2.163 172 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.213 172 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.213 172 G C 0.273 175.196 174.900 0.038 0.000 0.991 172 G CA 0.214 45.370 45.100 0.092 0.000 0.653 172 G HN 0.516 nan 8.290 nan 0.000 0.518 173 S N -0.297 115.402 115.700 -0.002 0.000 2.593 173 S HA 0.615 5.085 4.470 -0.000 0.000 0.269 173 S C 0.915 175.119 174.600 -0.659 0.000 1.334 173 S CA 0.193 58.258 58.200 -0.225 0.000 1.015 173 S CB 0.745 63.821 63.200 -0.206 0.000 0.912 173 S HN 0.194 nan 8.310 nan 0.000 0.541 174 K N 1.375 121.163 120.400 -1.020 0.000 2.619 174 K HA 0.474 4.794 4.320 -0.000 0.000 0.201 174 K C -0.606 175.060 176.600 -1.556 0.000 1.090 174 K CA -0.033 55.333 56.287 -1.536 0.000 1.063 174 K CB 0.732 32.854 32.500 -0.630 0.000 0.810 174 K HN 0.594 nan 8.250 nan 0.000 0.506 175 A N 0.683 122.595 122.820 -1.514 0.000 2.597 175 A HA 0.652 4.972 4.320 -0.000 0.000 0.292 175 A C -2.136 175.234 177.584 -0.357 0.000 1.057 175 A CA -0.736 50.856 52.037 -0.741 0.000 0.674 175 A CB 1.249 19.919 19.000 -0.551 0.000 1.278 175 A HN 0.092 nan 8.150 nan 0.000 0.416 176 L N 0.907 122.075 121.223 -0.092 0.000 2.372 176 L HA 0.750 5.090 4.340 -0.000 0.000 0.274 176 L C -0.517 176.387 176.870 0.056 0.000 0.988 176 L CA 0.271 55.152 54.840 0.069 0.000 0.833 176 L CB 1.949 44.106 42.059 0.162 0.000 1.236 176 L HN 0.641 nan 8.230 nan 0.000 0.410 177 T N 4.615 119.254 114.554 0.142 0.000 2.767 177 T HA 0.560 4.910 4.350 -0.000 0.000 0.288 177 T C -0.534 174.270 174.700 0.173 0.000 0.963 177 T CA -0.267 61.970 62.100 0.228 0.000 1.019 177 T CB 1.137 70.180 68.868 0.290 0.000 0.923 177 T HN 0.364 nan 8.240 nan 0.000 0.468 178 V N 4.680 124.711 119.914 0.195 0.000 2.326 178 V HA 0.437 4.557 4.120 -0.000 0.000 0.281 178 V C -0.889 175.357 176.094 0.254 0.000 1.015 178 V CA -0.981 61.428 62.300 0.182 0.000 0.823 178 V CB 0.810 32.714 31.823 0.134 0.000 1.009 178 V HN 0.912 nan 8.190 nan 0.000 0.436 179 W N 8.414 129.779 121.300 0.108 0.000 2.619 179 W HA 0.806 5.466 4.660 -0.000 0.000 0.327 179 W C -0.774 175.813 176.519 0.113 0.000 1.027 179 W CA -0.874 56.523 57.345 0.087 0.000 1.233 179 W CB 1.291 30.783 29.460 0.053 0.000 1.370 179 W HN 0.594 nan 8.180 nan 0.000 0.453 180 I N 2.782 122.786 120.570 -0.942 0.000 2.957 180 I HA 0.816 4.986 4.170 -0.000 0.000 0.310 180 I C 0.801 176.141 176.117 -1.294 0.000 1.063 180 I CA -1.168 59.601 61.300 -0.886 0.000 1.033 180 I CB 2.114 39.910 38.000 -0.341 0.000 1.230 180 I HN 0.637 nan 8.210 nan 0.000 0.447 181 G N 1.095 109.378 108.800 -0.862 0.000 2.939 181 G HA2 0.046 4.006 3.960 -0.000 0.000 0.210 181 G HA3 0.046 4.006 3.960 -0.000 0.000 0.210 181 G C 0.013 174.729 174.900 -0.307 0.000 1.160 181 G CA -0.123 44.627 45.100 -0.583 0.000 0.770 181 G HN 0.734 nan 8.290 nan 0.000 0.543 182 D N 0.958 121.210 120.400 -0.248 0.000 2.923 182 D HA 0.383 5.023 4.640 -0.000 0.000 0.220 182 D C 0.929 177.168 176.300 -0.102 0.000 1.099 182 D CA 1.888 55.818 54.000 -0.116 0.000 0.807 182 D CB 0.609 41.374 40.800 -0.058 0.000 1.155 182 D HN 0.401 nan 8.370 nan 0.000 0.524 183 G N 0.175 108.953 108.800 -0.037 0.000 2.356 183 G HA2 0.517 4.477 3.960 -0.000 0.000 0.281 183 G HA3 0.517 4.477 3.960 -0.000 0.000 0.281 183 G C -1.364 173.579 174.900 0.072 0.000 1.246 183 G CA -0.186 44.910 45.100 -0.007 0.000 0.889 183 G HN 0.745 nan 8.290 nan 0.000 0.486 184 S N -1.250 114.525 115.700 0.126 0.000 2.595 184 S HA 0.653 5.123 4.470 -0.000 0.000 0.281 184 S C -0.355 174.377 174.600 0.219 0.000 1.117 184 S CA -0.762 57.570 58.200 0.219 0.000 0.873 184 S CB 2.249 65.647 63.200 0.330 0.000 1.108 184 S HN 0.412 nan 8.310 nan 0.000 0.477 185 N N -0.440 118.365 118.700 0.174 0.000 2.205 185 N HA 0.421 5.161 4.740 -0.000 0.000 0.201 185 N C -1.468 173.776 175.510 -0.444 0.000 1.128 185 N CA 0.171 53.175 53.050 -0.077 0.000 0.867 185 N CB 0.027 38.386 38.487 -0.214 0.000 0.996 185 N HN 0.588 nan 8.380 nan 0.000 0.503 186 F N -0.114 119.910 119.950 0.123 0.000 2.591 186 F HA 0.437 4.964 4.527 -0.000 0.000 0.309 186 F C -2.299 173.281 175.800 -0.366 0.000 1.098 186 F CA -2.419 55.509 58.000 -0.119 0.000 0.937 186 F CB 1.950 40.918 39.000 -0.053 0.000 1.250 186 F HN -0.295 nan 8.300 nan 0.000 0.447 187 P HA 0.216 nan 4.420 nan 0.000 0.265 187 P C 0.690 177.884 177.300 -0.176 0.000 1.193 187 P CA 1.233 63.962 63.100 -0.619 0.000 0.765 187 P CB 0.729 32.127 31.700 -0.504 0.000 0.823 188 G N 2.361 111.086 108.800 -0.125 0.000 2.284 188 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.247 188 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.247 188 G C 1.274 176.139 174.900 -0.059 0.000 1.012 188 G CA 0.524 45.558 45.100 -0.109 0.000 0.618 188 G HN 0.568 nan 8.290 nan 0.000 0.521 189 Q N 0.607 120.419 119.800 0.020 0.000 2.096 189 Q HA 0.049 4.389 4.340 -0.000 0.000 0.204 189 Q C 0.974 176.990 176.000 0.028 0.000 0.982 189 Q CA 1.834 57.669 55.803 0.054 0.000 0.850 189 Q CB -0.095 28.755 28.738 0.187 0.000 0.901 189 Q HN 0.578 nan 8.270 nan 0.000 0.422 190 S N 0.589 116.321 115.700 0.053 0.000 2.566 190 S HA 0.303 4.773 4.470 -0.000 0.000 0.298 190 S C -0.844 173.718 174.600 -0.062 0.000 1.083 190 S CA -0.929 57.296 58.200 0.042 0.000 0.978 190 S CB 1.555 64.846 63.200 0.151 0.000 1.073 190 S HN 0.328 nan 8.310 nan 0.000 0.491 191 N N 1.606 120.284 118.700 -0.036 0.000 2.439 191 N HA 0.158 4.898 4.740 -0.000 0.000 0.249 191 N C 0.300 175.847 175.510 0.062 0.000 1.003 191 N CA -0.335 52.663 53.050 -0.087 0.000 0.942 191 N CB 0.119 38.585 38.487 -0.035 0.000 1.115 191 N HN 0.371 nan 8.380 nan 0.000 0.505 192 F N 2.203 122.181 119.950 0.047 0.000 2.063 192 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 192 F C 2.460 178.296 175.800 0.060 0.000 1.105 192 F CA 1.321 59.338 58.000 0.028 0.000 1.215 192 F CB -1.344 37.653 39.000 -0.004 0.000 0.972 192 F HN 0.421 nan 8.300 nan 0.000 0.483 193 T N 0.398 115.111 114.554 0.264 0.000 2.674 193 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 193 T C 2.173 176.983 174.700 0.183 0.000 1.039 193 T CA 1.230 63.458 62.100 0.213 0.000 1.150 193 T CB -0.126 68.828 68.868 0.143 0.000 0.864 193 T HN 0.023 nan 8.240 nan 0.000 0.427 194 R N 1.456 122.030 120.500 0.123 0.000 2.081 194 R HA 0.102 4.442 4.340 -0.000 0.000 0.235 194 R C 2.726 179.096 176.300 0.117 0.000 1.131 194 R CA 1.444 57.598 56.100 0.089 0.000 0.960 194 R CB -1.325 29.006 30.300 0.051 0.000 0.856 194 R HN 0.459 nan 8.270 nan 0.000 0.436 195 A N 0.609 123.518 122.820 0.149 0.000 1.908 195 A HA -0.178 4.141 4.320 -0.000 0.000 0.218 195 A C 2.029 179.760 177.584 0.246 0.000 1.181 195 A CA 1.231 53.368 52.037 0.167 0.000 0.627 195 A CB -0.650 18.448 19.000 0.163 0.000 0.818 195 A HN 0.280 nan 8.150 nan 0.000 0.445 196 F N 1.095 121.087 119.950 0.070 0.000 2.186 196 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 196 F C 2.096 177.962 175.800 0.110 0.000 1.090 196 F CA 1.609 59.646 58.000 0.062 0.000 1.307 196 F CB -0.472 38.533 39.000 0.009 0.000 1.019 196 F HN 0.405 nan 8.300 nan 0.000 0.489 197 E N -0.187 120.038 120.200 0.041 0.000 2.077 197 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 197 E C 2.317 178.888 176.600 -0.047 0.000 0.989 197 E CA 1.140 57.490 56.400 -0.082 0.000 0.800 197 E CB -0.191 29.496 29.700 -0.021 0.000 0.746 197 E HN 0.419 nan 8.360 nan 0.000 0.452 198 R N -0.026 120.495 120.500 0.034 0.000 2.081 198 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 198 R C 2.347 178.671 176.300 0.040 0.000 1.131 198 R CA 1.372 57.494 56.100 0.036 0.000 0.960 198 R CB -0.445 29.898 30.300 0.072 0.000 0.856 198 R HN 0.275 nan 8.270 nan 0.000 0.436 199 Y N 1.732 122.017 120.300 -0.024 0.000 2.145 199 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 199 Y C 1.961 177.803 175.900 -0.097 0.000 1.145 199 Y CA 1.453 59.542 58.100 -0.018 0.000 1.148 199 Y CB -0.267 38.243 38.460 0.084 0.000 0.981 199 Y HN -0.066 nan 8.280 nan 0.000 0.507 200 L N -0.845 120.324 121.223 -0.091 0.000 2.046 200 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 200 L C 2.835 179.573 176.870 -0.220 0.000 1.077 200 L CA 1.644 56.346 54.840 -0.231 0.000 0.747 200 L CB -0.844 40.999 42.059 -0.359 0.000 0.896 200 L HN 0.262 nan 8.230 nan 0.000 0.432 201 S N -0.350 115.251 115.700 -0.165 0.000 2.368 201 S HA -0.156 4.314 4.470 -0.000 0.000 0.224 201 S C 2.123 176.642 174.600 -0.135 0.000 1.029 201 S CA 1.204 59.326 58.200 -0.130 0.000 0.988 201 S CB -0.057 63.090 63.200 -0.088 0.000 0.838 201 S HN 0.429 nan 8.310 nan 0.000 0.462 202 A N 1.787 124.513 122.820 -0.157 0.000 1.898 202 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 202 A C 2.263 179.728 177.584 -0.198 0.000 1.181 202 A CA 1.544 53.486 52.037 -0.157 0.000 0.620 202 A CB -0.580 18.327 19.000 -0.155 0.000 0.819 202 A HN 0.544 nan 8.150 nan 0.000 0.442 203 M N -0.412 118.999 119.600 -0.316 0.000 2.229 203 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 203 M C 2.431 178.656 176.300 -0.125 0.000 1.063 203 M CA 1.370 56.502 55.300 -0.278 0.000 1.114 203 M CB -1.323 31.019 32.600 -0.430 0.000 1.387 203 M HN 0.510 nan 8.290 nan 0.000 0.420 204 A N 0.170 122.910 122.820 -0.135 0.000 1.930 204 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 204 A C 2.040 179.612 177.584 -0.020 0.000 1.175 204 A CA 1.467 53.452 52.037 -0.088 0.000 0.627 204 A CB -0.561 18.365 19.000 -0.123 0.000 0.815 204 A HN 0.562 nan 8.150 nan 0.000 0.443 205 E N -0.341 119.829 120.200 -0.050 0.000 2.150 205 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 205 E C 1.822 178.403 176.600 -0.033 0.000 0.985 205 E CA 1.033 57.410 56.400 -0.039 0.000 0.814 205 E CB -0.246 29.422 29.700 -0.054 0.000 0.752 205 E HN 0.708 nan 8.360 nan 0.000 0.466 206 I N 0.253 120.799 120.570 -0.039 0.000 2.315 206 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 206 I C 2.365 178.466 176.117 -0.028 0.000 1.117 206 I CA 0.901 62.171 61.300 -0.050 0.000 1.404 206 I CB -0.235 37.729 38.000 -0.059 0.000 1.071 206 I HN 0.106 nan 8.210 nan 0.000 0.419 207 Y N 2.197 122.435 120.300 -0.103 0.000 2.181 207 Y HA -0.262 4.288 4.550 0.000 0.000 0.288 207 Y C 2.430 178.275 175.900 -0.092 0.000 1.146 207 Y CA 1.699 59.746 58.100 -0.089 0.000 1.164 207 Y CB -0.141 38.272 38.460 -0.079 0.000 0.982 207 Y HN -0.022 nan 8.280 nan 0.000 0.515 208 K N -0.929 119.539 120.400 0.115 0.000 2.209 208 K HA -0.095 4.225 4.320 -0.000 0.000 0.204 208 K C 1.879 178.428 176.600 -0.087 0.000 1.048 208 K CA 1.041 57.346 56.287 0.031 0.000 0.940 208 K CB -0.406 32.108 32.500 0.022 0.000 0.729 208 K HN 0.440 nan 8.250 nan 0.000 0.451 209 G N 0.581 109.306 108.800 -0.126 0.000 3.189 209 G HA2 0.050 4.010 3.960 -0.000 0.000 0.225 209 G HA3 0.050 4.010 3.960 -0.000 0.000 0.225 209 G C -0.076 174.654 174.900 -0.284 0.000 1.159 209 G CA -0.366 44.625 45.100 -0.182 0.000 0.763 209 G HN 0.034 nan 8.290 nan 0.000 0.549 210 L N 1.650 122.683 121.223 -0.317 0.000 2.319 210 L HA 0.465 4.804 4.340 -0.000 0.000 0.280 210 L C -2.151 174.476 176.870 -0.405 0.000 1.099 210 L CA -1.871 52.725 54.840 -0.407 0.000 0.828 210 L CB 1.197 43.005 42.059 -0.419 0.000 1.150 210 L HN -0.169 nan 8.230 nan 0.000 0.442 211 P HA 0.035 nan 4.420 nan 0.000 0.268 211 P C -0.274 176.925 177.300 -0.169 0.000 1.208 211 P CA -0.041 62.832 63.100 -0.378 0.000 0.777 211 P CB 0.526 31.869 31.700 -0.596 0.000 0.875 212 D N 0.774 121.112 120.400 -0.103 0.000 2.350 212 D HA -0.120 4.520 4.640 -0.000 0.000 0.216 212 D C 0.779 177.085 176.300 0.010 0.000 0.968 212 D CA 1.172 55.139 54.000 -0.054 0.000 0.894 212 D CB -0.147 40.629 40.800 -0.039 0.000 0.909 212 D HN 0.528 nan 8.370 nan 0.000 0.520 213 D N -1.547 118.902 120.400 0.082 0.000 2.424 213 D HA -0.039 4.601 4.640 -0.000 0.000 0.220 213 D C 0.184 176.599 176.300 0.192 0.000 1.150 213 D CA -0.415 53.654 54.000 0.115 0.000 0.831 213 D CB -0.365 40.502 40.800 0.111 0.000 0.981 213 D HN 0.012 nan 8.370 nan 0.000 0.500 214 W N 1.214 122.428 121.300 -0.143 0.000 2.578 214 W HA 0.518 5.178 4.660 -0.000 0.000 0.364 214 W C 0.372 176.747 176.519 -0.240 0.000 1.144 214 W CA -0.726 56.509 57.345 -0.184 0.000 1.242 214 W CB 1.221 30.561 29.460 -0.199 0.000 1.382 214 W HN -0.415 nan 8.180 nan 0.000 0.625 215 K N 1.410 121.723 120.400 -0.144 0.000 2.375 215 K HA 0.584 4.904 4.320 -0.000 0.000 0.249 215 K C -1.750 174.556 176.600 -0.490 0.000 0.942 215 K CA -1.295 54.773 56.287 -0.365 0.000 0.806 215 K CB 2.410 34.551 32.500 -0.598 0.000 1.227 215 K HN 0.202 nan 8.250 nan 0.000 0.430 216 L N 3.339 124.350 121.223 -0.353 0.000 2.294 216 L HA 0.462 4.802 4.340 -0.000 0.000 0.283 216 L C -1.667 175.143 176.870 -0.100 0.000 1.015 216 L CA -0.280 54.441 54.840 -0.198 0.000 0.831 216 L CB 0.325 42.378 42.059 -0.010 0.000 1.217 216 L HN 0.367 nan 8.230 nan 0.000 0.420 217 F N 2.935 122.922 119.950 0.061 0.000 2.404 217 F HA 0.554 5.081 4.527 -0.000 0.000 0.354 217 F C 0.684 176.526 175.800 0.071 0.000 1.122 217 F CA -0.837 57.187 58.000 0.040 0.000 1.080 217 F CB 1.376 40.368 39.000 -0.013 0.000 1.131 217 F HN 0.531 nan 8.300 nan 0.000 0.471 218 S N 1.745 117.622 115.700 0.295 0.000 2.489 218 S HA 0.522 4.992 4.470 -0.000 0.000 0.291 218 S C -0.618 174.105 174.600 0.206 0.000 1.151 218 S CA -0.913 57.443 58.200 0.259 0.000 1.082 218 S CB 1.984 65.359 63.200 0.291 0.000 1.019 218 S HN 0.684 nan 8.310 nan 0.000 0.492 219 E N 2.671 122.994 120.200 0.203 0.000 2.155 219 E HA 0.188 4.538 4.350 -0.000 0.000 0.264 219 E C -0.342 176.379 176.600 0.202 0.000 0.886 219 E CA -0.750 55.725 56.400 0.125 0.000 0.752 219 E CB 0.587 30.347 29.700 0.099 0.000 1.133 219 E HN 0.918 nan 8.360 nan 0.000 0.414 220 H N 3.203 122.361 119.070 0.147 0.000 2.551 220 H HA 0.485 5.041 4.556 -0.000 0.000 0.358 220 H C -0.854 174.568 175.328 0.156 0.000 1.151 220 H CA -0.590 55.520 56.048 0.103 0.000 1.374 220 H CB 1.316 31.102 29.762 0.040 0.000 1.473 220 H HN 0.363 nan 8.280 nan 0.000 0.574 221 K N 2.983 123.448 120.400 0.108 0.000 2.571 221 K HA 0.109 4.429 4.320 -0.000 0.000 0.252 221 K C 0.713 177.275 176.600 -0.063 0.000 0.956 221 K CA -0.604 55.619 56.287 -0.106 0.000 0.822 221 K CB 2.523 34.873 32.500 -0.249 0.000 1.286 221 K HN 0.706 nan 8.250 nan 0.000 0.439 222 M N 3.386 122.959 119.600 -0.045 0.000 2.117 222 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 222 M C -0.415 175.976 176.300 0.152 0.000 1.065 222 M CA 1.723 57.069 55.300 0.076 0.000 1.114 222 M CB 0.118 32.845 32.600 0.212 0.000 1.361 222 M HN 0.623 nan 8.290 nan 0.000 0.408 223 Y N -2.416 117.843 120.300 -0.068 0.000 2.750 223 Y HA 0.509 5.059 4.550 -0.000 0.000 0.335 223 Y C -1.091 174.769 175.900 -0.067 0.000 1.252 223 Y CA -1.725 56.342 58.100 -0.054 0.000 1.064 223 Y CB 0.245 38.740 38.460 0.058 0.000 1.321 223 Y HN 0.327 nan 8.280 nan 0.000 0.451 224 E N 1.593 121.719 120.200 -0.125 0.000 7.494 224 E HA -0.117 4.233 4.350 -0.000 0.000 0.356 224 E C -2.369 174.141 176.600 -0.149 0.000 0.670 224 E CA 0.459 56.704 56.400 -0.258 0.000 1.219 224 E CB 0.178 29.817 29.700 -0.103 0.000 0.933 224 E HN 0.652 nan 8.360 nan 0.000 0.264 225 P HA -0.011 nan 4.420 nan 0.000 0.229 225 P C 0.245 177.015 177.300 -0.884 0.000 1.160 225 P CA 1.145 63.975 63.100 -0.450 0.000 0.777 225 P CB 0.216 31.815 31.700 -0.168 0.000 0.814 226 A N -0.124 122.361 122.820 -0.559 0.000 2.362 226 A HA 0.383 4.703 4.320 -0.000 0.000 0.276 226 A C -0.071 177.249 177.584 -0.440 0.000 1.153 226 A CA -0.327 51.454 52.037 -0.426 0.000 0.813 226 A CB -0.390 18.505 19.000 -0.176 0.000 1.081 226 A HN -0.033 nan 8.150 nan 0.000 0.507 227 F N 1.331 121.318 119.950 0.062 0.000 2.639 227 F HA 0.209 4.736 4.527 -0.000 0.000 0.302 227 F C 0.857 176.688 175.800 0.050 0.000 1.097 227 F CA 0.041 58.073 58.000 0.052 0.000 1.294 227 F CB -0.170 38.835 39.000 0.009 0.000 1.027 227 F HN 0.807 nan 8.300 nan 0.000 0.550 228 Y N -0.144 120.196 120.300 0.067 0.000 2.921 228 Y HA 0.358 4.908 4.550 -0.000 0.000 0.246 228 Y C 0.490 176.417 175.900 0.046 0.000 1.030 228 Y CA 0.307 58.435 58.100 0.047 0.000 1.338 228 Y CB 0.259 38.744 38.460 0.042 0.000 1.493 228 Y HN -0.144 nan 8.280 nan 0.000 0.452 229 S N -0.072 115.480 115.700 -0.246 0.000 2.564 229 S HA 0.750 5.220 4.470 -0.000 0.000 0.274 229 S C -1.066 173.439 174.600 -0.158 0.000 1.124 229 S CA -0.407 57.584 58.200 -0.349 0.000 0.869 229 S CB 2.169 65.180 63.200 -0.315 0.000 1.105 229 S HN 0.116 nan 8.310 nan 0.000 0.472 230 T N 2.298 116.724 114.554 -0.213 0.000 2.886 230 T HA 0.424 4.774 4.350 -0.000 0.000 0.292 230 T C 1.242 175.804 174.700 -0.231 0.000 1.012 230 T CA -0.619 61.377 62.100 -0.174 0.000 0.982 230 T CB 1.627 70.409 68.868 -0.144 0.000 1.018 230 T HN 0.524 nan 8.240 nan 0.000 0.451 231 V N 2.864 122.654 119.914 -0.207 0.000 2.231 231 V HA -0.091 4.029 4.120 -0.000 0.000 0.248 231 V C 1.326 177.175 176.094 -0.409 0.000 1.054 231 V CA 1.532 63.670 62.300 -0.270 0.000 1.015 231 V CB -0.251 31.446 31.823 -0.211 0.000 0.638 231 V HN 0.722 nan 8.190 nan 0.000 0.444 232 V N 3.165 122.860 119.914 -0.365 0.000 2.125 232 V HA 0.115 4.235 4.120 -0.000 0.000 0.263 232 V C 1.343 177.348 176.094 -0.147 0.000 1.365 232 V CA 0.020 62.142 62.300 -0.297 0.000 1.276 232 V CB 0.450 32.134 31.823 -0.232 0.000 1.350 232 V HN 0.648 nan 8.190 nan 0.000 0.487 233 Q N 2.034 121.713 119.800 -0.201 0.000 2.187 233 Q HA -0.029 4.311 4.340 -0.000 0.000 0.199 233 Q C 0.211 176.193 176.000 -0.030 0.000 0.957 233 Q CA 1.552 57.281 55.803 -0.124 0.000 0.857 233 Q CB 0.382 28.999 28.738 -0.202 0.000 0.929 233 Q HN 0.774 nan 8.270 nan 0.000 0.453 234 D N -2.020 118.323 120.400 -0.094 0.000 2.752 234 D HA 0.041 4.681 4.640 -0.000 0.000 0.313 234 D C 0.879 176.947 176.300 -0.386 0.000 1.225 234 D CA -0.501 53.424 54.000 -0.125 0.000 0.976 234 D CB -0.872 39.877 40.800 -0.086 0.000 1.443 234 D HN 0.135 nan 8.370 nan 0.000 0.515 235 W N 0.605 121.461 121.300 -0.740 0.000 2.465 235 W HA 0.100 4.760 4.660 0.000 0.000 0.268 235 W C 1.046 177.430 176.519 -0.225 0.000 1.242 235 W CA 1.094 58.069 57.345 -0.615 0.000 1.248 235 W CB -1.338 27.869 29.460 -0.422 0.000 1.118 235 W HN 0.446 nan 8.180 nan 0.000 0.587 236 G N 1.632 109.827 108.800 -1.008 0.000 2.433 236 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 236 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 236 G C 1.510 176.150 174.900 -0.434 0.000 1.186 236 G CA 2.216 46.746 45.100 -0.949 0.000 0.779 236 G HN 0.288 nan 8.290 nan 0.000 0.543 237 T N 0.977 115.308 114.554 -0.372 0.000 2.788 237 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 237 T C 2.340 176.978 174.700 -0.103 0.000 1.044 237 T CA 1.294 63.205 62.100 -0.314 0.000 1.139 237 T CB -0.291 68.268 68.868 -0.514 0.000 0.867 237 T HN 0.247 nan 8.240 nan 0.000 0.454 238 N N 0.523 119.181 118.700 -0.070 0.000 2.104 238 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 238 N C 1.570 177.149 175.510 0.115 0.000 1.024 238 N CA 1.211 54.311 53.050 0.083 0.000 0.853 238 N CB -0.466 38.119 38.487 0.163 0.000 1.008 238 N HN 0.512 nan 8.380 nan 0.000 0.424 239 Y N 1.060 121.344 120.300 -0.027 0.000 2.181 239 Y HA -0.056 4.494 4.550 -0.000 0.000 0.288 239 Y C 2.138 178.041 175.900 0.006 0.000 1.146 239 Y CA 1.384 59.481 58.100 -0.005 0.000 1.164 239 Y CB -0.439 37.950 38.460 -0.118 0.000 0.982 239 Y HN 0.049 nan 8.280 nan 0.000 0.515 240 L N -0.379 120.816 121.223 -0.046 0.000 2.079 240 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 240 L C 2.399 179.253 176.870 -0.027 0.000 1.081 240 L CA 1.498 56.313 54.840 -0.041 0.000 0.752 240 L CB -0.585 41.563 42.059 0.149 0.000 0.896 240 L HN 0.297 nan 8.230 nan 0.000 0.433 241 I N -0.204 120.425 120.570 0.100 0.000 2.113 241 I HA -0.290 3.880 4.170 -0.000 0.000 0.238 241 I C 2.847 178.961 176.117 -0.004 0.000 1.070 241 I CA 1.296 62.671 61.300 0.125 0.000 1.332 241 I CB -0.540 37.631 38.000 0.285 0.000 1.044 241 I HN 0.189 nan 8.210 nan 0.000 0.402 242 A N 0.086 122.892 122.820 -0.023 0.000 1.883 242 A HA -0.310 4.010 4.320 -0.000 0.000 0.217 242 A C 2.238 179.734 177.584 -0.146 0.000 1.186 242 A CA 2.140 54.154 52.037 -0.038 0.000 0.624 242 A CB -0.716 18.293 19.000 0.014 0.000 0.822 242 A HN 0.435 nan 8.150 nan 0.000 0.444 243 Q N -0.397 119.200 119.800 -0.338 0.000 2.084 243 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 243 Q C 2.053 177.932 176.000 -0.201 0.000 0.978 243 Q CA 2.531 58.137 55.803 -0.328 0.000 0.844 243 Q CB -0.943 27.446 28.738 -0.582 0.000 0.898 243 Q HN 0.594 nan 8.270 nan 0.000 0.426 244 T N 0.784 115.222 114.554 -0.192 0.000 2.737 244 T HA -0.074 4.276 4.350 -0.000 0.000 0.265 244 T C 1.735 176.300 174.700 -0.226 0.000 1.038 244 T CA 1.345 63.342 62.100 -0.172 0.000 1.144 244 T CB -0.264 68.510 68.868 -0.157 0.000 0.866 244 T HN 0.219 nan 8.240 nan 0.000 0.434 245 L N 0.195 121.269 121.223 -0.249 0.000 2.046 245 L HA 0.171 4.511 4.340 -0.000 0.000 0.208 245 L C 1.509 177.926 176.870 -0.755 0.000 1.077 245 L CA 0.924 55.492 54.840 -0.455 0.000 0.747 245 L CB -0.677 41.210 42.059 -0.286 0.000 0.896 245 L HN 0.539 nan 8.230 nan 0.000 0.432 246 G N -2.590 105.992 108.800 -0.363 0.000 2.361 246 G HA2 -0.033 3.926 3.960 -0.000 0.000 0.331 246 G HA3 -0.033 3.926 3.960 -0.000 0.000 0.331 246 G C -2.601 172.355 174.900 0.093 0.000 1.324 246 G CA -0.560 44.426 45.100 -0.190 0.000 0.984 246 G HN -0.251 nan 8.290 nan 0.000 0.586 247 P HA -0.039 nan 4.420 nan 0.000 0.217 247 P C 1.511 178.918 177.300 0.178 0.000 1.148 247 P CA 1.529 64.721 63.100 0.153 0.000 0.828 247 P CB 0.044 31.821 31.700 0.128 0.000 0.783 248 K N -1.213 119.342 120.400 0.258 0.000 2.459 248 K HA 0.200 4.520 4.320 -0.000 0.000 0.193 248 K C 0.703 177.397 176.600 0.156 0.000 1.030 248 K CA -0.019 56.339 56.287 0.120 0.000 1.026 248 K CB 0.084 32.508 32.500 -0.127 0.000 0.809 248 K HN 0.066 nan 8.250 nan 0.000 0.504 249 A N 1.511 124.506 122.820 0.290 0.000 2.276 249 A HA 0.362 4.682 4.320 -0.000 0.000 0.316 249 A C -0.578 177.119 177.584 0.188 0.000 1.229 249 A CA -0.468 51.705 52.037 0.227 0.000 0.851 249 A CB 0.536 19.669 19.000 0.221 0.000 1.165 249 A HN 0.106 nan 8.150 nan 0.000 0.513 250 Q N 0.429 120.379 119.800 0.249 0.000 2.544 250 Q HA 0.476 4.816 4.340 -0.000 0.000 0.291 250 Q C -1.377 174.789 176.000 0.277 0.000 1.068 250 Q CA -0.825 55.141 55.803 0.272 0.000 0.785 250 Q CB 2.220 31.153 28.738 0.325 0.000 1.481 250 Q HN 0.756 nan 8.270 nan 0.000 0.430 251 C N 1.462 120.863 119.300 0.168 0.000 2.350 251 C HA 0.580 5.040 4.460 -0.000 0.000 0.348 251 C C -0.139 174.801 174.990 -0.084 0.000 1.260 251 C CA -0.647 58.444 59.018 0.121 0.000 1.966 251 C CB -0.325 27.528 27.740 0.188 0.000 2.380 251 C HN 0.632 nan 8.230 nan 0.000 0.535 252 L N 3.748 124.901 121.223 -0.117 0.000 2.296 252 L HA 0.664 5.004 4.340 -0.000 0.000 0.286 252 L C -0.777 175.902 176.870 -0.318 0.000 1.023 252 L CA -0.145 54.468 54.840 -0.379 0.000 0.812 252 L CB 0.986 42.782 42.059 -0.439 0.000 1.223 252 L HN 0.530 nan 8.230 nan 0.000 0.421 253 V N 4.378 124.043 119.914 -0.416 0.000 2.350 253 V HA 0.284 4.404 4.120 -0.000 0.000 0.276 253 V C -0.323 175.624 176.094 -0.245 0.000 1.028 253 V CA -0.574 61.585 62.300 -0.235 0.000 0.860 253 V CB 1.243 32.962 31.823 -0.173 0.000 0.990 253 V HN 0.657 nan 8.190 nan 0.000 0.453 254 D N 4.360 124.561 120.400 -0.332 0.000 2.329 254 D HA 0.307 4.947 4.640 -0.000 0.000 0.232 254 D C 1.124 177.354 176.300 -0.116 0.000 1.088 254 D CA -0.385 53.395 54.000 -0.367 0.000 0.835 254 D CB 1.785 41.998 40.800 -0.980 0.000 1.078 254 D HN 0.372 nan 8.370 nan 0.000 0.495 255 L N 2.962 124.187 121.223 0.003 0.000 2.051 255 L HA -0.163 4.177 4.340 -0.000 0.000 0.214 255 L C 2.123 179.119 176.870 0.211 0.000 1.076 255 L CA 1.708 56.621 54.840 0.121 0.000 0.758 255 L CB -0.396 41.709 42.059 0.076 0.000 0.890 255 L HN 0.489 nan 8.230 nan 0.000 0.433 256 G N -2.459 106.406 108.800 0.109 0.000 3.124 256 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.212 256 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.212 256 G C 0.808 175.852 174.900 0.241 0.000 1.181 256 G CA -0.219 44.983 45.100 0.170 0.000 0.803 256 G HN 0.544 nan 8.290 nan 0.000 0.529 257 H N -0.429 118.604 119.070 -0.061 0.000 2.507 257 H HA 0.195 4.751 4.556 -0.000 0.000 0.294 257 H C -0.134 174.976 175.328 -0.363 0.000 1.064 257 H CA -0.472 55.411 56.048 -0.275 0.000 1.138 257 H CB 0.438 29.940 29.762 -0.434 0.000 1.515 257 H HN 0.399 nan 8.280 nan 0.000 0.547 258 H N -0.391 118.799 119.070 0.200 0.000 2.670 258 H HA 0.486 5.042 4.556 -0.000 0.000 0.361 258 H C -0.096 175.338 175.328 0.176 0.000 1.169 258 H CA -0.611 55.554 56.048 0.195 0.000 1.198 258 H CB 1.055 30.915 29.762 0.164 0.000 1.700 258 H HN 0.245 nan 8.280 nan 0.000 0.542 259 A N 1.976 124.962 122.820 0.276 0.000 2.448 259 A HA 0.243 4.562 4.320 -0.000 0.000 0.239 259 A C -2.160 175.528 177.584 0.173 0.000 1.080 259 A CA -1.013 51.145 52.037 0.201 0.000 0.779 259 A CB -0.610 18.476 19.000 0.142 0.000 1.026 259 A HN 0.538 nan 8.150 nan 0.000 0.499 260 P HA 0.063 nan 4.420 nan 0.000 0.264 260 P C -0.011 177.336 177.300 0.077 0.000 1.183 260 P CA 0.623 63.786 63.100 0.104 0.000 0.763 260 P CB 0.219 31.971 31.700 0.088 0.000 0.807 261 N N -1.190 117.545 118.700 0.059 0.000 2.909 261 N HA -0.135 4.605 4.740 -0.000 0.000 0.242 261 N C -0.339 175.189 175.510 0.030 0.000 0.975 261 N CA 1.139 54.211 53.050 0.037 0.000 0.921 261 N CB -2.330 36.176 38.487 0.033 0.000 1.112 261 N HN 0.381 nan 8.380 nan 0.000 0.581 262 T N 1.641 116.225 114.554 0.049 0.000 2.937 262 T HA -0.032 4.318 4.350 -0.000 0.000 0.316 262 T C 0.817 175.496 174.700 -0.035 0.000 1.079 262 T CA -0.007 62.113 62.100 0.032 0.000 1.131 262 T CB 0.568 69.487 68.868 0.085 0.000 1.000 262 T HN 0.154 nan 8.240 nan 0.000 0.549 263 N N 2.875 121.538 118.700 -0.062 0.000 2.602 263 N HA 0.131 4.871 4.740 -0.000 0.000 0.238 263 N C 1.043 176.443 175.510 -0.183 0.000 1.084 263 N CA -0.188 52.800 53.050 -0.102 0.000 0.952 263 N CB 0.021 38.457 38.487 -0.085 0.000 1.244 263 N HN 0.547 nan 8.380 nan 0.000 0.512 264 I N 1.818 122.253 120.570 -0.225 0.000 2.252 264 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 264 I C 2.251 178.216 176.117 -0.252 0.000 1.102 264 I CA 0.820 61.919 61.300 -0.336 0.000 1.385 264 I CB -0.022 37.759 38.000 -0.366 0.000 1.064 264 I HN 0.533 nan 8.210 nan 0.000 0.414 265 E N 1.516 121.600 120.200 -0.193 0.000 2.209 265 E HA -0.308 4.042 4.350 -0.000 0.000 0.196 265 E C 2.095 178.590 176.600 -0.175 0.000 0.993 265 E CA 1.475 57.774 56.400 -0.168 0.000 0.819 265 E CB -0.676 28.919 29.700 -0.176 0.000 0.745 265 E HN 0.590 nan 8.360 nan 0.000 0.477 266 M N 0.804 120.284 119.600 -0.201 0.000 2.200 266 M HA -0.054 4.426 4.480 -0.000 0.000 0.265 266 M C 2.279 178.372 176.300 -0.344 0.000 1.066 266 M CA 1.212 56.384 55.300 -0.214 0.000 1.127 266 M CB -0.048 32.444 32.600 -0.180 0.000 1.379 266 M HN 0.013 nan 8.290 nan 0.000 0.420 267 I N -0.239 120.041 120.570 -0.484 0.000 2.163 267 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 267 I C 2.231 178.055 176.117 -0.488 0.000 1.085 267 I CA 1.175 61.985 61.300 -0.816 0.000 1.347 267 I CB -0.531 36.993 38.000 -0.793 0.000 1.044 267 I HN 0.161 nan 8.210 nan 0.000 0.408 268 V N 1.091 120.864 119.914 -0.236 0.000 2.332 268 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 268 V C 2.728 178.799 176.094 -0.039 0.000 1.055 268 V CA 2.078 64.349 62.300 -0.049 0.000 1.038 268 V CB -1.087 30.814 31.823 0.129 0.000 0.651 268 V HN 0.517 nan 8.190 nan 0.000 0.450 269 A N -0.154 122.613 122.820 -0.090 0.000 1.877 269 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 269 A C 2.373 179.939 177.584 -0.031 0.000 1.186 269 A CA 1.553 53.555 52.037 -0.058 0.000 0.620 269 A CB -0.468 18.484 19.000 -0.081 0.000 0.822 269 A HN 0.407 nan 8.150 nan 0.000 0.443 270 R N -0.407 120.027 120.500 -0.111 0.000 2.081 270 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 270 R C 2.112 178.499 176.300 0.144 0.000 1.131 270 R CA 1.308 57.400 56.100 -0.014 0.000 0.960 270 R CB -1.006 29.122 30.300 -0.286 0.000 0.856 270 R HN 0.591 nan 8.270 nan 0.000 0.436 271 L N 0.305 121.554 121.223 0.043 0.000 2.093 271 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 271 L C 2.484 179.492 176.870 0.229 0.000 1.085 271 L CA 1.050 56.002 54.840 0.187 0.000 0.755 271 L CB -0.384 41.738 42.059 0.104 0.000 0.904 271 L HN 0.113 nan 8.230 nan 0.000 0.435 272 I N -0.511 120.163 120.570 0.175 0.000 2.179 272 I HA -0.344 3.826 4.170 -0.000 0.000 0.242 272 I C 2.703 178.908 176.117 0.146 0.000 1.088 272 I CA 1.352 62.775 61.300 0.205 0.000 1.357 272 I CB -0.345 37.736 38.000 0.134 0.000 1.051 272 I HN 0.397 nan 8.210 nan 0.000 0.409 273 Q N 0.900 120.766 119.800 0.110 0.000 2.152 273 Q HA -0.219 4.121 4.340 -0.000 0.000 0.206 273 Q C 1.354 177.279 176.000 -0.125 0.000 0.985 273 Q CA 1.937 57.733 55.803 -0.011 0.000 0.863 273 Q CB -0.019 28.729 28.738 0.017 0.000 0.904 273 Q HN 0.483 nan 8.270 nan 0.000 0.422 274 F N -0.692 119.319 119.950 0.101 0.000 2.668 274 F HA 0.326 4.853 4.527 -0.000 0.000 0.297 274 F C 1.103 177.027 175.800 0.207 0.000 1.124 274 F CA 0.192 58.285 58.000 0.156 0.000 1.353 274 F CB 0.806 39.904 39.000 0.165 0.000 0.992 274 F HN 0.176 nan 8.300 nan 0.000 0.524 275 G N 1.077 110.041 108.800 0.273 0.000 2.341 275 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.292 275 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.292 275 G C 0.900 175.954 174.900 0.257 0.000 1.021 275 G CA 0.257 45.505 45.100 0.245 0.000 0.905 275 G HN 0.247 nan 8.290 nan 0.000 0.508 276 K N -0.900 119.674 120.400 0.291 0.000 2.564 276 K HA 0.257 4.577 4.320 -0.000 0.000 0.205 276 K C 0.461 177.161 176.600 0.167 0.000 1.053 276 K CA -0.586 55.854 56.287 0.254 0.000 1.072 276 K CB 0.675 33.386 32.500 0.352 0.000 0.822 276 K HN 0.385 nan 8.250 nan 0.000 0.497 277 L N 1.154 122.442 121.223 0.108 0.000 2.356 277 L HA 0.296 4.636 4.340 -0.000 0.000 0.282 277 L C 1.166 177.931 176.870 -0.176 0.000 1.132 277 L CA 0.198 55.003 54.840 -0.057 0.000 0.923 277 L CB 0.610 42.658 42.059 -0.017 0.000 1.278 277 L HN 0.236 nan 8.230 nan 0.000 0.436 278 G N 2.960 111.628 108.800 -0.219 0.000 2.402 278 G HA2 0.362 4.322 3.960 -0.000 0.000 0.216 278 G HA3 0.362 4.322 3.960 -0.000 0.000 0.216 278 G C 0.589 175.011 174.900 -0.797 0.000 1.162 278 G CA 0.703 45.598 45.100 -0.342 0.000 0.777 278 G HN 0.975 nan 8.290 nan 0.000 0.539 279 G N -2.072 106.199 108.800 -0.882 0.000 2.321 279 G HA2 0.460 4.420 3.960 -0.000 0.000 0.296 279 G HA3 0.460 4.420 3.960 -0.000 0.000 0.296 279 G C -1.897 172.471 174.900 -0.887 0.000 1.287 279 G CA -1.041 43.572 45.100 -0.811 0.000 0.846 279 G HN 0.075 nan 8.290 nan 0.000 0.508 280 F N -0.275 119.460 119.950 -0.358 0.000 2.563 280 F HA 0.593 5.120 4.527 -0.000 0.000 0.316 280 F C 0.151 175.793 175.800 -0.263 0.000 1.076 280 F CA -0.570 57.167 58.000 -0.438 0.000 0.921 280 F CB 2.581 41.097 39.000 -0.807 0.000 1.209 280 F HN 0.367 nan 8.300 nan 0.000 0.462 281 H N 2.553 121.462 119.070 -0.267 0.000 2.718 281 H HA 0.326 4.882 4.556 -0.000 0.000 0.295 281 H C -1.106 174.110 175.328 -0.187 0.000 1.051 281 H CA -0.704 55.251 56.048 -0.155 0.000 1.260 281 H CB 0.880 30.535 29.762 -0.179 0.000 1.403 281 H HN 0.390 nan 8.280 nan 0.000 0.488 282 F N 3.369 123.421 119.950 0.169 0.000 2.399 282 F HA 0.138 4.665 4.527 -0.000 0.000 0.342 282 F C 0.558 176.396 175.800 0.062 0.000 1.106 282 F CA -0.110 57.958 58.000 0.114 0.000 1.196 282 F CB 0.885 39.960 39.000 0.125 0.000 1.163 282 F HN 0.705 nan 8.300 nan 0.000 0.547 283 N N -0.466 118.388 118.700 0.257 0.000 3.717 283 N HA 0.296 5.036 4.740 -0.000 0.000 0.239 283 N C -2.256 173.340 175.510 0.144 0.000 1.388 283 N CA -1.004 52.139 53.050 0.156 0.000 0.828 283 N CB 0.914 39.449 38.487 0.081 0.000 1.468 283 N HN 0.330 nan 8.380 nan 0.000 0.445 284 D N -1.517 118.950 120.400 0.111 0.000 2.493 284 D HA 0.825 5.465 4.640 -0.000 0.000 0.239 284 D C -1.258 175.093 176.300 0.085 0.000 1.049 284 D CA -0.050 54.010 54.000 0.100 0.000 1.008 284 D CB 2.072 42.930 40.800 0.096 0.000 1.398 284 D HN 0.832 nan 8.370 nan 0.000 0.513 285 S N -0.234 115.509 115.700 0.072 0.000 2.595 285 S HA 0.362 4.832 4.470 -0.000 0.000 0.270 285 S C -0.106 174.497 174.600 0.005 0.000 1.145 285 S CA -0.793 57.447 58.200 0.067 0.000 0.825 285 S CB 2.251 65.509 63.200 0.095 0.000 1.107 285 S HN 0.475 nan 8.310 nan 0.000 0.461 286 K N -0.739 119.622 120.400 -0.064 0.000 2.504 286 K HA 0.335 4.655 4.320 -0.000 0.000 0.203 286 K C 0.277 176.610 176.600 -0.446 0.000 1.350 286 K CA 0.025 56.118 56.287 -0.322 0.000 0.953 286 K CB 0.113 32.270 32.500 -0.572 0.000 1.243 286 K HN 0.672 nan 8.250 nan 0.000 0.534 287 Y N -0.605 119.754 120.300 0.099 0.000 2.472 287 Y HA 0.392 4.941 4.550 -0.000 0.000 0.288 287 Y C 1.469 177.464 175.900 0.158 0.000 1.154 287 Y CA 0.380 58.548 58.100 0.114 0.000 1.238 287 Y CB 0.409 38.932 38.460 0.104 0.000 1.287 287 Y HN 0.124 nan 8.280 nan 0.000 0.524 288 G N -1.035 107.960 108.800 0.326 0.000 3.187 288 G HA2 0.153 4.113 3.960 -0.000 0.000 0.175 288 G HA3 0.153 4.113 3.960 -0.000 0.000 0.175 288 G C -1.312 173.679 174.900 0.152 0.000 1.112 288 G CA -0.294 44.973 45.100 0.279 0.000 0.821 288 G HN -0.061 nan 8.290 nan 0.000 0.636 289 D N 0.787 121.212 120.400 0.041 0.000 2.713 289 D HA 0.232 4.872 4.640 -0.000 0.000 0.229 289 D C 0.509 176.845 176.300 0.059 0.000 1.136 289 D CA -0.334 53.685 54.000 0.032 0.000 1.010 289 D CB -0.020 40.721 40.800 -0.098 0.000 1.084 289 D HN 0.146 nan 8.370 nan 0.000 0.495 290 D N 0.961 121.424 120.400 0.106 0.000 2.264 290 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 290 D C 0.298 176.641 176.300 0.072 0.000 0.966 290 D CA 0.479 54.547 54.000 0.114 0.000 0.864 290 D CB -0.013 40.881 40.800 0.157 0.000 0.933 290 D HN 0.416 nan 8.370 nan 0.000 0.499 291 D N -0.074 120.358 120.400 0.054 0.000 2.751 291 D HA -0.182 4.458 4.640 -0.000 0.000 0.233 291 D C 0.029 176.331 176.300 0.002 0.000 1.149 291 D CA 0.390 54.401 54.000 0.019 0.000 0.682 291 D CB -1.240 39.555 40.800 -0.008 0.000 1.068 291 D HN 0.329 nan 8.370 nan 0.000 0.429 292 L N 0.041 121.292 121.223 0.047 0.000 2.468 292 L HA 0.216 4.556 4.340 -0.000 0.000 0.254 292 L C 0.958 177.876 176.870 0.080 0.000 1.171 292 L CA -0.690 54.186 54.840 0.061 0.000 0.809 292 L CB 0.413 42.522 42.059 0.083 0.000 1.155 292 L HN -0.193 nan 8.230 nan 0.000 0.473 293 D N 1.328 121.794 120.400 0.110 0.000 2.531 293 D HA 0.177 4.817 4.640 -0.000 0.000 0.239 293 D C 0.176 176.540 176.300 0.106 0.000 1.144 293 D CA 0.279 54.355 54.000 0.127 0.000 0.869 293 D CB 0.605 41.474 40.800 0.116 0.000 1.160 293 D HN 0.583 nan 8.370 nan 0.000 0.484 294 A N 2.265 125.153 122.820 0.114 0.000 2.567 294 A HA 0.421 4.741 4.320 -0.000 0.000 0.240 294 A C 1.667 179.306 177.584 0.092 0.000 1.053 294 A CA 0.449 52.558 52.037 0.121 0.000 0.755 294 A CB -0.326 18.749 19.000 0.125 0.000 0.978 294 A HN 1.010 nan 8.150 nan 0.000 0.507 295 G N 0.888 109.752 108.800 0.108 0.000 2.189 295 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.267 295 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.267 295 G C 1.073 176.024 174.900 0.084 0.000 0.975 295 G CA 1.163 46.324 45.100 0.101 0.000 0.644 295 G HN 2.045 nan 8.290 nan 0.000 0.537 296 A N -0.652 122.213 122.820 0.076 0.000 2.067 296 A HA 0.468 4.788 4.320 -0.000 0.000 0.217 296 A C 2.189 179.810 177.584 0.062 0.000 1.156 296 A CA 1.820 53.895 52.037 0.065 0.000 0.683 296 A CB -0.119 18.921 19.000 0.066 0.000 0.808 296 A HN 0.495 nan 8.150 nan 0.000 0.455 297 I N -1.378 119.231 120.570 0.065 0.000 3.194 297 I HA 0.143 4.313 4.170 -0.000 0.000 0.271 297 I C 0.344 176.494 176.117 0.055 0.000 1.150 297 I CA 0.751 62.080 61.300 0.049 0.000 1.440 297 I CB -0.768 37.251 38.000 0.032 0.000 1.276 297 I HN 0.223 nan 8.210 nan 0.000 0.457 298 E N 2.347 122.591 120.200 0.073 0.000 3.108 298 E HA 0.188 4.538 4.350 -0.000 0.000 0.228 298 E C -1.773 174.905 176.600 0.130 0.000 1.176 298 E CA -1.425 55.028 56.400 0.090 0.000 0.881 298 E CB 1.661 31.399 29.700 0.064 0.000 1.354 298 E HN 0.131 nan 8.360 nan 0.000 0.400 299 P HA -0.214 nan 4.420 nan 0.000 0.218 299 P C 1.179 178.663 177.300 0.306 0.000 1.149 299 P CA 1.011 64.258 63.100 0.245 0.000 0.817 299 P CB 0.241 32.103 31.700 0.270 0.000 0.785 300 Y N 1.719 122.020 120.300 0.002 0.000 2.263 300 Y HA -0.078 4.472 4.550 -0.000 0.000 0.292 300 Y C 2.877 178.738 175.900 -0.064 0.000 1.130 300 Y CA 1.067 58.974 58.100 -0.322 0.000 1.179 300 Y CB -0.827 37.360 38.460 -0.456 0.000 0.998 300 Y HN -0.215 nan 8.280 nan 0.000 0.532 301 R N -0.334 120.158 120.500 -0.013 0.000 2.081 301 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 301 R C 2.158 178.439 176.300 -0.032 0.000 1.131 301 R CA 1.649 57.702 56.100 -0.078 0.000 0.960 301 R CB -0.628 29.662 30.300 -0.016 0.000 0.856 301 R HN 0.408 nan 8.270 nan 0.000 0.436 302 L N 0.480 121.754 121.223 0.084 0.000 2.046 302 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 302 L C 2.010 179.004 176.870 0.207 0.000 1.077 302 L CA 1.692 56.631 54.840 0.165 0.000 0.747 302 L CB -0.749 41.439 42.059 0.214 0.000 0.896 302 L HN 0.272 nan 8.230 nan 0.000 0.432 303 F N -0.433 119.547 119.950 0.050 0.000 2.134 303 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 303 F C 1.990 177.754 175.800 -0.060 0.000 1.097 303 F CA 1.711 59.742 58.000 0.051 0.000 1.264 303 F CB -0.351 38.692 39.000 0.073 0.000 1.001 303 F HN 0.047 nan 8.300 nan 0.000 0.479 304 L N -0.474 120.531 121.223 -0.364 0.000 2.131 304 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 304 L C 2.384 179.040 176.870 -0.357 0.000 1.092 304 L CA 0.819 55.369 54.840 -0.483 0.000 0.759 304 L CB -0.824 40.982 42.059 -0.422 0.000 0.903 304 L HN 0.081 nan 8.230 nan 0.000 0.435 305 V N -0.653 119.108 119.914 -0.255 0.000 2.307 305 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 305 V C 2.217 178.099 176.094 -0.353 0.000 1.045 305 V CA 1.833 63.966 62.300 -0.279 0.000 1.024 305 V CB -0.540 31.104 31.823 -0.299 0.000 0.651 305 V HN 0.220 nan 8.190 nan 0.000 0.449 306 F N 0.892 120.678 119.950 -0.274 0.000 2.269 306 F HA -0.137 4.390 4.527 -0.000 0.000 0.301 306 F C 2.262 177.889 175.800 -0.289 0.000 1.082 306 F CA 1.731 59.587 58.000 -0.239 0.000 1.360 306 F CB -0.622 38.240 39.000 -0.230 0.000 1.041 306 F HN 0.249 nan 8.300 nan 0.000 0.512 307 N N 0.296 118.788 118.700 -0.348 0.000 2.120 307 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 307 N C 1.754 177.147 175.510 -0.194 0.000 1.024 307 N CA 1.509 54.331 53.050 -0.380 0.000 0.852 307 N CB -0.090 38.061 38.487 -0.559 0.000 1.003 307 N HN 0.067 nan 8.380 nan 0.000 0.424 308 E N 0.273 120.367 120.200 -0.176 0.000 2.106 308 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 308 E C 2.125 178.691 176.600 -0.057 0.000 0.984 308 E CA 0.550 56.885 56.400 -0.109 0.000 0.806 308 E CB -0.311 29.335 29.700 -0.090 0.000 0.750 308 E HN 0.478 nan 8.360 nan 0.000 0.458 309 L N 0.296 121.510 121.223 -0.014 0.000 2.017 309 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 309 L C 2.524 179.463 176.870 0.116 0.000 1.073 309 L CA 0.835 55.752 54.840 0.129 0.000 0.745 309 L CB -0.535 41.616 42.059 0.153 0.000 0.894 309 L HN -0.018 nan 8.230 nan 0.000 0.432 310 V N -0.045 119.934 119.914 0.108 0.000 2.427 310 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 310 V C 2.142 178.228 176.094 -0.013 0.000 1.051 310 V CA 1.985 64.336 62.300 0.085 0.000 1.048 310 V CB -0.498 31.341 31.823 0.026 0.000 0.666 310 V HN 0.488 nan 8.190 nan 0.000 0.456 311 D N 0.520 120.885 120.400 -0.059 0.000 2.104 311 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 311 D C 2.138 178.365 176.300 -0.121 0.000 0.994 311 D CA 1.704 55.655 54.000 -0.082 0.000 0.830 311 D CB -0.149 40.597 40.800 -0.090 0.000 0.959 311 D HN 0.360 nan 8.370 nan 0.000 0.452 312 A N 0.397 123.098 122.820 -0.199 0.000 1.858 312 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 312 A C 2.196 179.600 177.584 -0.300 0.000 1.190 312 A CA 1.969 53.788 52.037 -0.364 0.000 0.617 312 A CB -1.064 17.477 19.000 -0.766 0.000 0.827 312 A HN 0.437 nan 8.150 nan 0.000 0.443 313 E N -0.365 119.716 120.200 -0.199 0.000 2.147 313 E HA -0.220 4.130 4.350 -0.000 0.000 0.199 313 E C 2.028 178.618 176.600 -0.017 0.000 1.005 313 E CA 1.350 57.734 56.400 -0.026 0.000 0.810 313 E CB -0.236 29.548 29.700 0.139 0.000 0.736 313 E HN 0.578 nan 8.360 nan 0.000 0.460 314 A N 0.874 123.674 122.820 -0.033 0.000 1.898 314 A HA -0.015 4.305 4.320 -0.000 0.000 0.214 314 A C 1.726 179.287 177.584 -0.039 0.000 1.183 314 A CA 0.563 52.585 52.037 -0.025 0.000 0.622 314 A CB -0.107 18.876 19.000 -0.028 0.000 0.824 314 A HN 0.094 nan 8.150 nan 0.000 0.444 315 R N 0.156 120.617 120.500 -0.066 0.000 3.385 315 R HA 0.198 4.538 4.340 -0.000 0.000 0.236 315 R C 1.300 177.565 176.300 -0.059 0.000 1.663 315 R CA 0.523 56.585 56.100 -0.063 0.000 1.444 315 R CB -0.819 29.434 30.300 -0.079 0.000 1.218 315 R HN 0.677 nan 8.270 nan 0.000 0.575 316 G N 1.001 109.776 108.800 -0.041 0.000 4.026 316 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.309 316 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.309 316 G C 0.392 175.277 174.900 -0.024 0.000 1.411 316 G CA 0.351 45.440 45.100 -0.019 0.000 1.037 316 G HN 0.801 nan 8.290 nan 0.000 0.687 317 V N 1.064 120.957 119.914 -0.034 0.000 5.849 317 V HA -0.142 3.978 4.120 -0.000 0.000 0.215 317 V C 0.617 176.754 176.094 0.071 0.000 0.710 317 V CA 2.214 64.503 62.300 -0.019 0.000 0.745 317 V CB -1.800 29.931 31.823 -0.154 0.000 0.802 317 V HN 1.386 nan 8.190 nan 0.000 0.412 318 K N 4.459 124.914 120.400 0.092 0.000 2.344 318 K HA 0.515 4.835 4.320 -0.000 0.000 0.260 318 K C 1.502 178.225 176.600 0.204 0.000 0.988 318 K CA 0.279 56.648 56.287 0.136 0.000 0.909 318 K CB -0.120 32.445 32.500 0.108 0.000 0.968 318 K HN 1.931 nan 8.250 nan 0.000 0.505 319 G N 0.839 109.798 108.800 0.265 0.000 2.380 319 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.298 319 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.298 319 G C -0.410 174.728 174.900 0.396 0.000 0.989 319 G CA 0.404 45.713 45.100 0.348 0.000 0.836 319 G HN 0.544 nan 8.290 nan 0.000 0.511 320 F N 1.467 121.467 119.950 0.084 0.000 2.377 320 F HA 0.600 5.127 4.527 -0.000 0.000 0.360 320 F C 0.298 175.950 175.800 -0.246 0.000 1.147 320 F CA -1.171 56.821 58.000 -0.014 0.000 1.170 320 F CB 0.519 39.499 39.000 -0.033 0.000 1.339 320 F HN 0.163 nan 8.300 nan 0.000 0.552 321 H N 5.494 124.393 119.070 -0.286 0.000 2.448 321 H HA 0.278 4.834 4.556 -0.000 0.000 0.237 321 H C -2.302 172.803 175.328 -0.371 0.000 1.391 321 H CA -1.690 54.211 56.048 -0.245 0.000 1.477 321 H CB -0.006 29.713 29.762 -0.071 0.000 1.520 321 H HN 0.418 nan 8.280 nan 0.000 0.502 322 P HA 0.205 nan 4.420 nan 0.000 0.271 322 P C -0.153 176.843 177.300 -0.507 0.000 1.218 322 P CA -0.421 62.356 63.100 -0.539 0.000 0.780 322 P CB 1.161 32.505 31.700 -0.593 0.000 0.901 323 A N 3.393 125.971 122.820 -0.403 0.000 2.409 323 A HA 0.297 4.617 4.320 -0.000 0.000 0.262 323 A C 0.004 177.428 177.584 -0.267 0.000 1.113 323 A CA -0.294 51.589 52.037 -0.256 0.000 0.790 323 A CB -0.225 18.707 19.000 -0.114 0.000 1.046 323 A HN 0.590 nan 8.150 nan 0.000 0.496 324 H N 2.300 121.446 119.070 0.127 0.000 2.481 324 H HA 0.591 5.147 4.556 -0.000 0.000 0.333 324 H C -0.546 174.945 175.328 0.271 0.000 1.066 324 H CA -0.101 56.133 56.048 0.309 0.000 1.209 324 H CB 1.343 31.300 29.762 0.325 0.000 1.445 324 H HN 0.688 nan 8.280 nan 0.000 0.488 325 M N 3.152 123.032 119.600 0.467 0.000 2.484 325 M HA 0.402 4.882 4.480 -0.000 0.000 0.289 325 M C -0.525 175.954 176.300 0.298 0.000 1.206 325 M CA -0.561 54.915 55.300 0.294 0.000 0.892 325 M CB 2.956 35.681 32.600 0.208 0.000 1.712 325 M HN 0.297 nan 8.290 nan 0.000 0.462 326 I N 1.502 122.157 120.570 0.141 0.000 2.353 326 I HA 0.258 4.428 4.170 -0.000 0.000 0.293 326 I C -0.654 175.408 176.117 -0.091 0.000 0.992 326 I CA -0.065 61.301 61.300 0.109 0.000 1.268 326 I CB 1.000 39.042 38.000 0.070 0.000 1.387 326 I HN 0.577 nan 8.210 nan 0.000 0.478 327 D N 6.818 127.169 120.400 -0.081 0.000 2.375 327 D HA 0.357 4.997 4.640 -0.000 0.000 0.259 327 D C -0.911 175.373 176.300 -0.027 0.000 1.235 327 D CA -0.228 53.698 54.000 -0.123 0.000 0.924 327 D CB 0.738 41.371 40.800 -0.277 0.000 1.143 327 D HN 0.465 nan 8.370 nan 0.000 0.529 328 Q N 0.572 120.335 119.800 -0.060 0.000 2.544 328 Q HA 0.623 4.963 4.340 -0.000 0.000 0.291 328 Q C -1.204 174.605 176.000 -0.318 0.000 1.068 328 Q CA -1.172 54.541 55.803 -0.149 0.000 0.785 328 Q CB 2.335 30.992 28.738 -0.136 0.000 1.481 328 Q HN 0.224 nan 8.270 nan 0.000 0.430 329 S N -0.051 115.416 115.700 -0.389 0.000 2.519 329 S HA 0.454 4.924 4.470 -0.000 0.000 0.309 329 S C -1.748 172.568 174.600 -0.473 0.000 1.100 329 S CA -0.561 57.445 58.200 -0.324 0.000 1.059 329 S CB 0.327 63.483 63.200 -0.072 0.000 1.008 329 S HN 0.582 nan 8.310 nan 0.000 0.478 330 H N 4.024 123.131 119.070 0.063 0.000 2.690 330 H HA 0.421 4.977 4.556 -0.000 0.000 0.280 330 H C 0.432 175.806 175.328 0.077 0.000 1.138 330 H CA -0.805 55.278 56.048 0.058 0.000 1.241 330 H CB 0.649 30.432 29.762 0.034 0.000 1.394 330 H HN 0.495 nan 8.280 nan 0.000 0.489 331 N N 1.891 120.676 118.700 0.142 0.000 2.356 331 N HA -0.038 4.702 4.740 -0.000 0.000 0.178 331 N C 0.892 176.496 175.510 0.156 0.000 1.075 331 N CA 0.591 53.734 53.050 0.155 0.000 0.889 331 N CB 1.022 39.601 38.487 0.152 0.000 0.999 331 N HN 0.486 nan 8.380 nan 0.000 0.464 332 V N -2.557 117.433 119.914 0.127 0.000 3.172 332 V HA 0.434 4.554 4.120 -0.000 0.000 0.343 332 V C 0.052 176.193 176.094 0.078 0.000 1.429 332 V CA -0.256 62.095 62.300 0.085 0.000 1.149 332 V CB -0.181 31.673 31.823 0.052 0.000 1.106 332 V HN 0.149 nan 8.190 nan 0.000 0.526 333 T N -3.853 110.761 114.554 0.100 0.000 2.812 333 T HA 0.472 4.822 4.350 -0.000 0.000 0.294 333 T C -1.228 173.514 174.700 0.069 0.000 1.159 333 T CA -0.319 61.826 62.100 0.075 0.000 1.008 333 T CB 2.109 71.016 68.868 0.065 0.000 1.289 333 T HN 0.147 nan 8.240 nan 0.000 0.514 334 D N 1.293 121.720 120.400 0.045 0.000 2.358 334 D HA 0.242 4.882 4.640 -0.000 0.000 0.258 334 D C -1.530 174.732 176.300 -0.064 0.000 1.223 334 D CA -1.889 52.136 54.000 0.041 0.000 0.886 334 D CB 1.394 42.250 40.800 0.093 0.000 1.120 334 D HN 0.116 nan 8.370 nan 0.000 0.482 335 P HA -0.145 nan 4.420 nan 0.000 0.216 335 P C 1.637 178.710 177.300 -0.379 0.000 1.153 335 P CA 1.042 63.990 63.100 -0.253 0.000 0.858 335 P CB 0.259 31.935 31.700 -0.041 0.000 0.789 336 I N -0.540 119.879 120.570 -0.251 0.000 2.179 336 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 336 I C 2.254 178.092 176.117 -0.465 0.000 1.088 336 I CA 1.576 62.663 61.300 -0.355 0.000 1.357 336 I CB -0.702 37.059 38.000 -0.397 0.000 1.051 336 I HN 0.034 nan 8.210 nan 0.000 0.409 337 E N 0.487 120.413 120.200 -0.455 0.000 2.077 337 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 337 E C 2.355 178.811 176.600 -0.240 0.000 0.989 337 E CA 1.442 57.630 56.400 -0.353 0.000 0.800 337 E CB -0.122 29.466 29.700 -0.186 0.000 0.746 337 E HN 0.341 nan 8.360 nan 0.000 0.452 338 S N 1.011 116.558 115.700 -0.254 0.000 2.368 338 S HA -0.093 4.377 4.470 -0.000 0.000 0.225 338 S C 2.017 176.488 174.600 -0.215 0.000 1.030 338 S CA 0.757 58.832 58.200 -0.208 0.000 0.999 338 S CB -0.128 62.933 63.200 -0.232 0.000 0.844 338 S HN 0.178 nan 8.310 nan 0.000 0.459 339 L N 0.743 121.764 121.223 -0.336 0.000 2.141 339 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 339 L C 2.113 178.895 176.870 -0.146 0.000 1.094 339 L CA 0.882 55.599 54.840 -0.205 0.000 0.763 339 L CB -0.454 41.468 42.059 -0.229 0.000 0.908 339 L HN 0.317 nan 8.230 nan 0.000 0.437 340 I N -0.022 120.437 120.570 -0.184 0.000 2.142 340 I HA -0.295 3.875 4.170 -0.000 0.000 0.240 340 I C 2.057 178.117 176.117 -0.095 0.000 1.078 340 I CA 1.295 62.508 61.300 -0.146 0.000 1.343 340 I CB -0.311 37.576 38.000 -0.188 0.000 1.046 340 I HN 0.323 nan 8.210 nan 0.000 0.405 341 N N 0.356 119.002 118.700 -0.089 0.000 2.309 341 N HA -0.096 4.644 4.740 -0.000 0.000 0.182 341 N C 1.935 177.423 175.510 -0.037 0.000 1.018 341 N CA 0.966 53.984 53.050 -0.053 0.000 0.876 341 N CB -0.149 38.314 38.487 -0.040 0.000 0.972 341 N HN 0.183 nan 8.380 nan 0.000 0.434 342 S N 0.337 116.019 115.700 -0.031 0.000 2.371 342 S HA 0.034 4.504 4.470 -0.000 0.000 0.224 342 S C 2.038 176.620 174.600 -0.030 0.000 1.029 342 S CA 0.891 59.089 58.200 -0.003 0.000 0.978 342 S CB -0.196 63.028 63.200 0.040 0.000 0.833 342 S HN 0.474 nan 8.310 nan 0.000 0.466 343 A N 2.215 125.013 122.820 -0.037 0.000 1.933 343 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 343 A C 1.841 179.393 177.584 -0.053 0.000 1.175 343 A CA 1.497 53.513 52.037 -0.036 0.000 0.628 343 A CB -0.777 18.210 19.000 -0.021 0.000 0.814 343 A HN 0.606 nan 8.150 nan 0.000 0.444 344 N N -0.893 117.775 118.700 -0.053 0.000 2.142 344 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 344 N C 1.838 177.295 175.510 -0.089 0.000 1.023 344 N CA 1.243 54.258 53.050 -0.059 0.000 0.852 344 N CB -0.126 38.333 38.487 -0.047 0.000 0.998 344 N HN 0.505 nan 8.380 nan 0.000 0.424 345 E N 1.436 121.589 120.200 -0.078 0.000 2.110 345 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 345 E C 1.741 178.245 176.600 -0.159 0.000 0.988 345 E CA 0.903 57.254 56.400 -0.081 0.000 0.804 345 E CB -0.112 29.570 29.700 -0.029 0.000 0.745 345 E HN 0.343 nan 8.360 nan 0.000 0.458 346 I N -0.103 120.339 120.570 -0.213 0.000 2.226 346 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 346 I C 2.530 178.265 176.117 -0.637 0.000 1.100 346 I CA 1.087 62.142 61.300 -0.408 0.000 1.374 346 I CB -0.225 37.543 38.000 -0.387 0.000 1.057 346 I HN 0.046 nan 8.210 nan 0.000 0.413 347 R N 0.150 120.415 120.500 -0.392 0.000 2.115 347 R HA -0.128 4.212 4.340 -0.000 0.000 0.230 347 R C 2.428 178.521 176.300 -0.345 0.000 1.111 347 R CA 0.882 56.750 56.100 -0.387 0.000 0.976 347 R CB -0.245 29.975 30.300 -0.133 0.000 0.870 347 R HN 0.312 nan 8.270 nan 0.000 0.445 348 R N 0.562 120.907 120.500 -0.259 0.000 2.073 348 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 348 R C 2.119 178.298 176.300 -0.203 0.000 1.134 348 R CA 1.663 57.651 56.100 -0.185 0.000 0.952 348 R CB -0.239 29.988 30.300 -0.120 0.000 0.850 348 R HN 0.189 nan 8.270 nan 0.000 0.433 349 A N 0.028 122.689 122.820 -0.264 0.000 1.902 349 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 349 A C 2.017 179.369 177.584 -0.385 0.000 1.181 349 A CA 1.404 53.341 52.037 -0.166 0.000 0.623 349 A CB -0.883 18.041 19.000 -0.128 0.000 0.818 349 A HN 0.625 nan 8.150 nan 0.000 0.443 350 Y N 0.727 120.359 120.300 -1.114 0.000 2.145 350 Y HA -0.093 4.457 4.550 -0.000 0.000 0.286 350 Y C 2.661 178.289 175.900 -0.454 0.000 1.145 350 Y CA 1.213 58.685 58.100 -1.046 0.000 1.148 350 Y CB -0.799 36.727 38.460 -1.558 0.000 0.981 350 Y HN 0.301 nan 8.280 nan 0.000 0.507 351 A N 0.293 122.837 122.820 -0.460 0.000 1.883 351 A HA -0.282 4.037 4.320 -0.000 0.000 0.217 351 A C 2.124 179.571 177.584 -0.229 0.000 1.186 351 A CA 2.141 53.959 52.037 -0.364 0.000 0.624 351 A CB -0.843 18.032 19.000 -0.208 0.000 0.822 351 A HN 0.694 nan 8.150 nan 0.000 0.444 352 Q N -0.787 118.957 119.800 -0.094 0.000 2.119 352 Q HA -0.052 4.288 4.340 -0.000 0.000 0.201 352 Q C 2.368 178.513 176.000 0.242 0.000 0.972 352 Q CA 1.264 57.112 55.803 0.075 0.000 0.847 352 Q CB -0.386 28.442 28.738 0.150 0.000 0.903 352 Q HN 0.690 nan 8.270 nan 0.000 0.433 353 A N 0.818 123.731 122.820 0.156 0.000 1.972 353 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 353 A C 1.989 179.527 177.584 -0.077 0.000 1.169 353 A CA 0.943 52.987 52.037 0.011 0.000 0.635 353 A CB -0.515 18.391 19.000 -0.158 0.000 0.810 353 A HN 0.292 nan 8.150 nan 0.000 0.446 354 L N -0.637 120.457 121.223 -0.215 0.000 2.291 354 L HA -0.073 4.267 4.340 -0.000 0.000 0.214 354 L C 2.073 178.877 176.870 -0.109 0.000 1.120 354 L CA 0.532 55.235 54.840 -0.228 0.000 0.799 354 L CB -0.347 41.483 42.059 -0.383 0.000 0.925 354 L HN 0.384 nan 8.230 nan 0.000 0.446 355 L N -0.776 120.411 121.223 -0.059 0.000 2.395 355 L HA -0.002 4.338 4.340 -0.000 0.000 0.218 355 L C 0.854 177.735 176.870 0.017 0.000 1.130 355 L CA -0.188 54.636 54.840 -0.027 0.000 0.826 355 L CB -0.252 41.791 42.059 -0.026 0.000 0.941 355 L HN -0.035 nan 8.230 nan 0.000 0.451 356 V N 1.355 121.303 119.914 0.057 0.000 2.617 356 V HA -0.137 3.983 4.120 -0.000 0.000 0.304 356 V C 0.523 176.641 176.094 0.039 0.000 1.040 356 V CA 0.232 62.580 62.300 0.081 0.000 1.149 356 V CB 0.480 32.361 31.823 0.098 0.000 0.914 356 V HN 0.160 nan 8.190 nan 0.000 0.487 357 D N 5.578 126.007 120.400 0.049 0.000 2.470 357 D HA 0.086 4.726 4.640 -0.000 0.000 0.226 357 D C 1.401 177.717 176.300 0.028 0.000 1.196 357 D CA -0.326 53.692 54.000 0.031 0.000 0.979 357 D CB 0.447 41.271 40.800 0.041 0.000 1.059 357 D HN 0.351 nan 8.370 nan 0.000 0.515 358 R N 2.690 123.195 120.500 0.008 0.000 2.103 358 R HA -0.160 4.180 4.340 -0.000 0.000 0.242 358 R C 1.793 178.084 176.300 -0.015 0.000 1.142 358 R CA 1.306 57.405 56.100 -0.002 0.000 0.960 358 R CB -0.924 29.367 30.300 -0.016 0.000 0.858 358 R HN 0.475 nan 8.270 nan 0.000 0.439 359 A N 1.266 124.070 122.820 -0.027 0.000 1.877 359 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 359 A C 2.453 179.986 177.584 -0.086 0.000 1.186 359 A CA 1.899 53.906 52.037 -0.051 0.000 0.620 359 A CB -0.686 18.285 19.000 -0.049 0.000 0.822 359 A HN 0.350 nan 8.150 nan 0.000 0.443 360 A N -0.513 122.259 122.820 -0.079 0.000 1.877 360 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 360 A C 2.154 179.654 177.584 -0.139 0.000 1.186 360 A CA 1.804 53.742 52.037 -0.165 0.000 0.620 360 A CB -0.704 18.285 19.000 -0.017 0.000 0.822 360 A HN 0.728 nan 8.150 nan 0.000 0.443 361 L N 0.064 121.314 121.223 0.044 0.000 2.012 361 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 361 L C 2.605 179.504 176.870 0.049 0.000 1.073 361 L CA 2.744 57.660 54.840 0.125 0.000 0.748 361 L CB -0.944 41.172 42.059 0.093 0.000 0.891 361 L HN 0.371 nan 8.230 nan 0.000 0.431 362 S N -0.607 115.085 115.700 -0.012 0.000 2.374 362 S HA -0.170 4.300 4.470 -0.000 0.000 0.227 362 S C 2.065 176.632 174.600 -0.055 0.000 1.037 362 S CA 1.448 59.631 58.200 -0.028 0.000 1.024 362 S CB -0.977 62.199 63.200 -0.040 0.000 0.861 362 S HN 0.690 nan 8.310 nan 0.000 0.456 363 G N -0.609 108.106 108.800 -0.140 0.000 2.418 363 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 363 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 363 G C 1.143 175.949 174.900 -0.158 0.000 1.158 363 G CA 0.928 45.904 45.100 -0.207 0.000 0.771 363 G HN 0.604 nan 8.290 nan 0.000 0.545 364 Y N 0.992 121.292 120.300 0.000 0.000 2.293 364 Y HA -0.026 4.524 4.550 -0.000 0.000 0.291 364 Y C 3.086 178.987 175.900 0.001 0.000 1.137 364 Y CA 1.058 59.159 58.100 0.002 0.000 1.202 364 Y CB -0.411 38.053 38.460 0.006 0.000 0.990 364 Y HN 0.297 nan 8.280 nan 0.000 0.537 365 Q N -0.198 119.681 119.800 0.131 0.000 2.049 365 Q HA -0.153 4.187 4.340 -0.000 0.000 0.198 365 Q C 1.973 178.001 176.000 0.045 0.000 0.971 365 Q CA 1.255 57.103 55.803 0.074 0.000 0.833 365 Q CB -0.101 28.663 28.738 0.045 0.000 0.896 365 Q HN 0.375 nan 8.270 nan 0.000 0.434 366 E N 0.916 121.130 120.200 0.024 0.000 2.204 366 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 366 E C 1.069 177.680 176.600 0.019 0.000 0.990 366 E CA 0.904 57.310 56.400 0.010 0.000 0.821 366 E CB -0.036 29.658 29.700 -0.010 0.000 0.750 366 E HN 0.368 nan 8.360 nan 0.000 0.477 367 D N 0.475 120.897 120.400 0.037 0.000 2.340 367 D HA -0.013 4.627 4.640 -0.000 0.000 0.220 367 D C -0.008 176.326 176.300 0.058 0.000 1.039 367 D CA 0.015 54.044 54.000 0.047 0.000 0.866 367 D CB 0.056 40.897 40.800 0.068 0.000 0.913 367 D HN 0.051 nan 8.370 nan 0.000 0.523 368 N N 1.820 120.556 118.700 0.060 0.000 2.754 368 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 368 N C -0.569 174.974 175.510 0.054 0.000 1.093 368 N CA 0.588 53.668 53.050 0.049 0.000 0.699 368 N CB -1.081 37.425 38.487 0.031 0.000 1.016 368 N HN 0.272 nan 8.380 nan 0.000 0.552 369 D N 0.256 120.710 120.400 0.089 0.000 2.563 369 D HA 0.471 5.111 4.640 -0.000 0.000 0.222 369 D C 1.243 177.551 176.300 0.013 0.000 1.145 369 D CA 0.204 54.242 54.000 0.065 0.000 1.001 369 D CB 0.239 41.130 40.800 0.151 0.000 1.049 369 D HN 0.326 nan 8.370 nan 0.000 0.515 370 A N 3.332 126.155 122.820 0.004 0.000 1.917 370 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 370 A C 2.075 179.633 177.584 -0.043 0.000 1.182 370 A CA 1.133 53.166 52.037 -0.007 0.000 0.633 370 A CB -0.510 18.490 19.000 -0.001 0.000 0.819 370 A HN 0.597 nan 8.150 nan 0.000 0.448 371 L N -1.428 119.754 121.223 -0.068 0.000 1.994 371 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 371 L C 2.459 179.223 176.870 -0.177 0.000 1.071 371 L CA 1.796 56.579 54.840 -0.096 0.000 0.745 371 L CB -0.223 41.785 42.059 -0.085 0.000 0.892 371 L HN 0.280 nan 8.230 nan 0.000 0.431 372 M N -0.629 118.778 119.600 -0.323 0.000 2.296 372 M HA -0.069 4.411 4.480 -0.000 0.000 0.265 372 M C 2.354 178.318 176.300 -0.560 0.000 1.064 372 M CA 1.431 56.346 55.300 -0.642 0.000 1.109 372 M CB -1.474 30.318 32.600 -1.347 0.000 1.396 372 M HN 0.472 nan 8.290 nan 0.000 0.430 373 A N -0.713 121.946 122.820 -0.269 0.000 1.873 373 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 373 A C 2.383 179.974 177.584 0.012 0.000 1.186 373 A CA 2.327 54.359 52.037 -0.009 0.000 0.616 373 A CB -1.140 17.898 19.000 0.064 0.000 0.823 373 A HN 0.416 nan 8.150 nan 0.000 0.442 374 T N -1.055 113.494 114.554 -0.008 0.000 2.867 374 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 374 T C 1.880 176.599 174.700 0.032 0.000 1.057 374 T CA 1.760 63.884 62.100 0.040 0.000 1.136 374 T CB -0.211 68.677 68.868 0.034 0.000 0.874 374 T HN 0.578 nan 8.240 nan 0.000 0.466 375 E N 0.361 120.538 120.200 -0.037 0.000 2.208 375 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 375 E C 2.098 178.693 176.600 -0.008 0.000 0.988 375 E CA 1.298 57.671 56.400 -0.044 0.000 0.828 375 E CB -0.559 29.081 29.700 -0.100 0.000 0.763 375 E HN 0.375 nan 8.360 nan 0.000 0.478 376 T N 0.642 115.203 114.554 0.011 0.000 2.821 376 T HA -0.024 4.326 4.350 -0.000 0.000 0.267 376 T C 1.686 176.460 174.700 0.123 0.000 1.046 376 T CA 1.075 63.227 62.100 0.085 0.000 1.139 376 T CB -0.115 68.855 68.868 0.169 0.000 0.871 376 T HN 0.140 nan 8.240 nan 0.000 0.454 377 L N 0.335 121.653 121.223 0.157 0.000 2.072 377 L HA -0.022 4.318 4.340 -0.000 0.000 0.205 377 L C 2.746 179.739 176.870 0.205 0.000 1.079 377 L CA 0.929 55.934 54.840 0.275 0.000 0.752 377 L CB -0.379 41.888 42.059 0.348 0.000 0.906 377 L HN 0.051 nan 8.230 nan 0.000 0.436 378 K N 0.512 120.987 120.400 0.124 0.000 2.097 378 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 378 K C 2.125 178.719 176.600 -0.010 0.000 1.049 378 K CA 1.246 57.556 56.287 0.038 0.000 0.933 378 K CB -0.328 32.160 32.500 -0.019 0.000 0.717 378 K HN 0.297 nan 8.250 nan 0.000 0.442 379 R N 0.230 120.731 120.500 0.001 0.000 2.105 379 R HA -0.118 4.222 4.340 -0.000 0.000 0.239 379 R C 2.309 178.586 176.300 -0.038 0.000 1.135 379 R CA 1.448 57.534 56.100 -0.023 0.000 0.967 379 R CB -0.326 29.973 30.300 -0.002 0.000 0.861 379 R HN 0.192 nan 8.270 nan 0.000 0.442 380 A N 0.138 122.959 122.820 0.001 0.000 1.872 380 A HA -0.183 4.137 4.320 -0.000 0.000 0.214 380 A C 1.962 179.468 177.584 -0.129 0.000 1.187 380 A CA 0.970 53.005 52.037 -0.002 0.000 0.614 380 A CB -0.723 18.367 19.000 0.151 0.000 0.826 380 A HN 0.425 nan 8.150 nan 0.000 0.442 381 Y N 0.824 120.846 120.300 -0.464 0.000 2.224 381 Y HA -0.161 4.389 4.550 -0.000 0.000 0.289 381 Y C 2.364 178.048 175.900 -0.360 0.000 1.146 381 Y CA 1.847 59.527 58.100 -0.700 0.000 1.182 381 Y CB -0.223 37.668 38.460 -0.948 0.000 0.983 381 Y HN 0.231 nan 8.280 nan 0.000 0.524 382 R N -0.355 119.931 120.500 -0.356 0.000 2.189 382 R HA -0.022 4.318 4.340 -0.000 0.000 0.223 382 R C 0.423 176.544 176.300 -0.299 0.000 1.092 382 R CA 0.964 56.852 56.100 -0.353 0.000 0.989 382 R CB -0.563 29.622 30.300 -0.193 0.000 0.876 382 R HN 0.171 nan 8.270 nan 0.000 0.457 383 T N 1.609 116.015 114.554 -0.246 0.000 2.853 383 T HA -0.036 4.314 4.350 -0.000 0.000 0.298 383 T C -0.112 174.463 174.700 -0.208 0.000 0.978 383 T CA -0.042 61.944 62.100 -0.190 0.000 1.152 383 T CB 0.912 69.694 68.868 -0.143 0.000 0.914 383 T HN -0.016 nan 8.240 nan 0.000 0.539 384 D N 3.290 123.587 120.400 -0.171 0.000 2.374 384 D HA 0.109 4.749 4.640 -0.000 0.000 0.240 384 D C 1.072 177.296 176.300 -0.126 0.000 1.229 384 D CA -0.677 53.231 54.000 -0.153 0.000 0.895 384 D CB 0.437 41.162 40.800 -0.125 0.000 1.046 384 D HN 0.356 nan 8.370 nan 0.000 0.498 385 V N 1.696 121.534 119.914 -0.126 0.000 3.577 385 V HA 0.134 4.254 4.120 -0.000 0.000 0.294 385 V C 1.642 177.695 176.094 -0.069 0.000 1.317 385 V CA -0.004 62.234 62.300 -0.103 0.000 1.169 385 V CB 0.091 31.847 31.823 -0.112 0.000 1.011 385 V HN 0.256 nan 8.190 nan 0.000 0.426 386 E N 2.589 122.751 120.200 -0.064 0.000 2.130 386 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 386 E C -0.200 176.402 176.600 0.003 0.000 0.998 386 E CA 2.240 58.618 56.400 -0.037 0.000 0.806 386 E CB -1.404 28.271 29.700 -0.040 0.000 0.738 386 E HN 0.515 nan 8.360 nan 0.000 0.459 387 P HA -0.097 nan 4.420 nan 0.000 0.218 387 P C 1.169 178.594 177.300 0.208 0.000 1.149 387 P CA 1.237 64.400 63.100 0.105 0.000 0.817 387 P CB -0.007 31.741 31.700 0.081 0.000 0.785 388 I N -1.854 118.792 120.570 0.127 0.000 2.233 388 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 388 I C 1.915 178.092 176.117 0.101 0.000 1.093 388 I CA 1.050 62.453 61.300 0.172 0.000 1.380 388 I CB -0.622 37.404 38.000 0.044 0.000 1.067 388 I HN -0.112 nan 8.210 nan 0.000 0.413 389 L N 0.865 122.110 121.223 0.037 0.000 2.046 389 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 389 L C 2.684 179.567 176.870 0.021 0.000 1.077 389 L CA 2.196 57.044 54.840 0.014 0.000 0.747 389 L CB -1.251 40.797 42.059 -0.017 0.000 0.896 389 L HN 0.207 nan 8.230 nan 0.000 0.432 390 A N -0.937 121.898 122.820 0.025 0.000 1.873 390 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 390 A C 2.316 179.898 177.584 -0.003 0.000 1.186 390 A CA 1.610 53.655 52.037 0.012 0.000 0.616 390 A CB -0.535 18.474 19.000 0.014 0.000 0.823 390 A HN 0.386 nan 8.150 nan 0.000 0.442 391 E N 0.426 120.624 120.200 -0.004 0.000 2.110 391 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 391 E C 1.960 178.523 176.600 -0.060 0.000 0.988 391 E CA 1.550 57.889 56.400 -0.101 0.000 0.804 391 E CB -0.487 29.037 29.700 -0.293 0.000 0.745 391 E HN 0.454 nan 8.360 nan 0.000 0.458 392 A N 0.785 123.606 122.820 0.002 0.000 1.902 392 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 392 A C 2.246 179.842 177.584 0.020 0.000 1.181 392 A CA 1.724 53.773 52.037 0.021 0.000 0.623 392 A CB -0.466 18.560 19.000 0.044 0.000 0.818 392 A HN 0.217 nan 8.150 nan 0.000 0.443 393 R N -1.191 119.319 120.500 0.017 0.000 2.066 393 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 393 R C 2.557 178.861 176.300 0.007 0.000 1.131 393 R CA 1.355 57.467 56.100 0.020 0.000 0.955 393 R CB -0.339 29.969 30.300 0.014 0.000 0.851 393 R HN 0.537 nan 8.270 nan 0.000 0.432 394 R N 1.139 121.631 120.500 -0.013 0.000 2.091 394 R HA -0.121 4.219 4.340 -0.000 0.000 0.238 394 R C 2.052 178.338 176.300 -0.023 0.000 1.136 394 R CA 1.524 57.610 56.100 -0.024 0.000 0.959 394 R CB -0.007 30.265 30.300 -0.048 0.000 0.856 394 R HN 0.156 nan 8.270 nan 0.000 0.437 395 R N -0.678 119.805 120.500 -0.029 0.000 2.235 395 R HA -0.034 4.306 4.340 -0.000 0.000 0.213 395 R C 1.385 177.689 176.300 0.007 0.000 1.059 395 R CA 1.544 57.631 56.100 -0.022 0.000 0.997 395 R CB 0.144 30.425 30.300 -0.033 0.000 0.884 395 R HN 0.338 nan 8.270 nan 0.000 0.462 396 T N -3.784 110.784 114.554 0.023 0.000 3.176 396 T HA 0.302 4.652 4.350 -0.000 0.000 0.263 396 T C 1.062 175.788 174.700 0.043 0.000 1.021 396 T CA 0.225 62.351 62.100 0.043 0.000 0.905 396 T CB 1.145 70.055 68.868 0.070 0.000 1.057 396 T HN 0.302 nan 8.240 nan 0.000 0.558 397 G N 0.058 108.878 108.800 0.033 0.000 2.157 397 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.239 397 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.239 397 G C 0.462 175.386 174.900 0.040 0.000 0.982 397 G CA -0.256 44.869 45.100 0.042 0.000 0.650 397 G HN 1.012 nan 8.290 nan 0.000 0.527 398 G N -0.471 108.347 108.800 0.030 0.000 2.531 398 G HA2 0.832 4.792 3.960 -0.000 0.000 0.281 398 G HA3 0.832 4.792 3.960 -0.000 0.000 0.281 398 G C 0.194 175.102 174.900 0.014 0.000 1.382 398 G CA 0.205 45.319 45.100 0.024 0.000 1.045 398 G HN 1.514 nan 8.290 nan 0.000 0.533 399 A N -1.352 121.475 122.820 0.011 0.000 2.324 399 A HA 0.571 4.891 4.320 -0.000 0.000 0.330 399 A C 1.143 178.729 177.584 0.003 0.000 1.165 399 A CA -0.503 51.539 52.037 0.008 0.000 0.813 399 A CB 1.654 20.663 19.000 0.015 0.000 1.197 399 A HN 0.659 nan 8.150 nan 0.000 0.484 400 V N 1.138 121.052 119.914 -0.001 0.000 2.287 400 V HA -0.107 4.013 4.120 -0.000 0.000 0.248 400 V C 0.801 176.895 176.094 -0.000 0.000 1.053 400 V CA 2.437 64.735 62.300 -0.004 0.000 1.027 400 V CB -0.310 31.509 31.823 -0.007 0.000 0.646 400 V HN 0.891 nan 8.190 nan 0.000 0.447 401 D N -1.500 118.902 120.400 0.004 0.000 2.408 401 D HA 0.246 4.885 4.640 -0.000 0.000 0.261 401 D C -1.967 174.342 176.300 0.015 0.000 1.190 401 D CA -2.096 51.908 54.000 0.007 0.000 0.910 401 D CB 1.996 42.801 40.800 0.008 0.000 1.097 401 D HN 0.037 nan 8.370 nan 0.000 0.522 402 P HA -0.189 nan 4.420 nan 0.000 0.213 402 P C 1.672 178.999 177.300 0.045 0.000 1.176 402 P CA 0.788 63.895 63.100 0.012 0.000 0.919 402 P CB 0.424 32.112 31.700 -0.020 0.000 0.791 403 V N -0.171 119.761 119.914 0.030 0.000 2.392 403 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 403 V C 2.462 178.631 176.094 0.125 0.000 1.059 403 V CA 2.243 64.590 62.300 0.078 0.000 1.051 403 V CB -1.815 30.029 31.823 0.035 0.000 0.658 403 V HN 0.120 nan 8.190 nan 0.000 0.455 404 A N -0.218 122.644 122.820 0.071 0.000 1.877 404 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 404 A C 2.415 180.035 177.584 0.060 0.000 1.186 404 A CA 2.598 54.668 52.037 0.056 0.000 0.620 404 A CB -1.005 18.013 19.000 0.030 0.000 0.822 404 A HN 0.502 nan 8.150 nan 0.000 0.443 405 T N -1.585 113.008 114.554 0.064 0.000 2.777 405 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 405 T C 1.792 176.541 174.700 0.082 0.000 1.040 405 T CA 1.586 63.719 62.100 0.056 0.000 1.141 405 T CB -0.459 68.438 68.868 0.047 0.000 0.868 405 T HN 0.556 nan 8.240 nan 0.000 0.444 406 Y N 2.419 122.715 120.300 -0.006 0.000 2.114 406 Y HA -0.209 4.341 4.550 -0.000 0.000 0.282 406 Y C 2.453 178.375 175.900 0.037 0.000 1.165 406 Y CA 1.428 59.528 58.100 0.001 0.000 1.148 406 Y CB -0.217 38.231 38.460 -0.019 0.000 0.972 406 Y HN 0.029 nan 8.280 nan 0.000 0.504 407 R N -0.216 120.288 120.500 0.006 0.000 2.092 407 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 407 R C 2.498 178.750 176.300 -0.080 0.000 1.119 407 R CA 1.032 57.084 56.100 -0.080 0.000 0.970 407 R CB -0.652 29.668 30.300 0.033 0.000 0.864 407 R HN 0.435 nan 8.270 nan 0.000 0.440 408 A N 1.208 124.008 122.820 -0.032 0.000 2.019 408 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 408 A C 2.188 179.749 177.584 -0.039 0.000 1.164 408 A CA 1.778 53.799 52.037 -0.026 0.000 0.644 408 A CB -0.418 18.578 19.000 -0.007 0.000 0.805 408 A HN 0.428 nan 8.150 nan 0.000 0.449 409 S N -1.383 114.285 115.700 -0.053 0.000 2.453 409 S HA 0.282 4.752 4.470 -0.000 0.000 0.231 409 S C 1.544 176.112 174.600 -0.054 0.000 1.005 409 S CA 1.197 59.376 58.200 -0.036 0.000 0.949 409 S CB -0.693 62.502 63.200 -0.007 0.000 0.774 409 S HN 1.954 nan 8.310 nan 0.000 0.510 410 G N 0.486 109.216 108.800 -0.118 0.000 2.198 410 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.260 410 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.260 410 G C 0.180 175.004 174.900 -0.126 0.000 1.025 410 G CA 0.487 45.515 45.100 -0.119 0.000 0.769 410 G HN 0.654 nan 8.290 nan 0.000 0.507 411 Y N 0.598 120.708 120.300 -0.317 0.000 2.165 411 Y HA -0.175 4.375 4.550 -0.000 0.000 0.286 411 Y C 2.789 178.599 175.900 -0.151 0.000 1.155 411 Y CA 2.621 60.584 58.100 -0.228 0.000 1.164 411 Y CB -0.091 38.226 38.460 -0.238 0.000 0.978 411 Y HN 0.333 nan 8.280 nan 0.000 0.513 412 R N 0.956 121.373 120.500 -0.138 0.000 2.081 412 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 412 R C 2.210 178.450 176.300 -0.101 0.000 1.131 412 R CA 1.695 57.776 56.100 -0.032 0.000 0.960 412 R CB -1.152 29.190 30.300 0.071 0.000 0.856 412 R HN 0.397 nan 8.270 nan 0.000 0.436 413 A N 0.770 123.525 122.820 -0.108 0.000 1.930 413 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 413 A C 2.263 179.777 177.584 -0.116 0.000 1.175 413 A CA 1.471 53.457 52.037 -0.086 0.000 0.627 413 A CB -0.623 18.336 19.000 -0.069 0.000 0.815 413 A HN 0.418 nan 8.150 nan 0.000 0.443 414 R N 0.269 120.663 120.500 -0.175 0.000 2.082 414 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 414 R C 2.100 178.267 176.300 -0.222 0.000 1.136 414 R CA 2.525 58.507 56.100 -0.197 0.000 0.935 414 R CB -0.679 29.472 30.300 -0.249 0.000 0.842 414 R HN 0.487 nan 8.270 nan 0.000 0.430 415 V N -1.240 118.462 119.914 -0.352 0.000 2.594 415 V HA -0.033 4.087 4.120 -0.000 0.000 0.253 415 V C 2.383 178.405 176.094 -0.119 0.000 1.069 415 V CA 1.607 63.753 62.300 -0.256 0.000 1.082 415 V CB -1.146 30.486 31.823 -0.319 0.000 0.680 415 V HN 0.418 nan 8.190 nan 0.000 0.469 416 A N 0.827 123.588 122.820 -0.098 0.000 1.933 416 A HA 0.112 4.432 4.320 -0.000 0.000 0.218 416 A C 2.370 179.931 177.584 -0.038 0.000 1.175 416 A CA 2.083 54.093 52.037 -0.044 0.000 0.628 416 A CB -0.850 18.131 19.000 -0.031 0.000 0.814 416 A HN 0.972 nan 8.150 nan 0.000 0.444 417 A N -0.724 122.065 122.820 -0.053 0.000 2.169 417 A HA 0.085 4.405 4.320 -0.000 0.000 0.212 417 A C 1.613 179.177 177.584 -0.034 0.000 1.153 417 A CA 1.008 53.022 52.037 -0.038 0.000 0.756 417 A CB -0.202 18.774 19.000 -0.041 0.000 0.813 417 A HN 0.615 nan 8.150 nan 0.000 0.471 418 E N -0.717 119.457 120.200 -0.043 0.000 2.476 418 E HA 0.113 4.463 4.350 -0.000 0.000 0.199 418 E C 0.037 176.629 176.600 -0.013 0.000 1.021 418 E CA -0.029 56.353 56.400 -0.030 0.000 0.907 418 E CB 0.455 30.131 29.700 -0.041 0.000 0.974 418 E HN 0.445 nan 8.360 nan 0.000 0.489 419 R N 1.084 121.577 120.500 -0.012 0.000 2.807 419 R HA 0.386 4.726 4.340 -0.000 0.000 0.276 419 R C -2.662 173.643 176.300 0.008 0.000 0.979 419 R CA -2.101 54.002 56.100 0.005 0.000 0.928 419 R CB 1.047 31.354 30.300 0.012 0.000 1.191 419 R HN -0.137 nan 8.270 nan 0.000 0.471 420 P HA 0.017 nan 4.420 nan 0.000 0.269 420 P C -0.956 176.354 177.300 0.017 0.000 1.217 420 P CA -0.092 63.017 63.100 0.016 0.000 0.783 420 P CB 0.547 32.258 31.700 0.019 0.000 0.898 421 A N 1.766 124.596 122.820 0.017 0.000 2.371 421 A HA 0.478 4.798 4.320 -0.000 0.000 0.257 421 A C 0.485 178.083 177.584 0.024 0.000 1.089 421 A CA -0.134 51.915 52.037 0.020 0.000 0.794 421 A CB -0.239 18.773 19.000 0.019 0.000 1.029 421 A HN 0.578 nan 8.150 nan 0.000 0.488 422 S N 0.688 116.405 115.700 0.029 0.000 2.646 422 S HA 0.706 5.176 4.470 -0.000 0.000 0.276 422 S C -0.191 174.427 174.600 0.030 0.000 1.222 422 S CA -0.632 57.586 58.200 0.029 0.000 1.014 422 S CB 1.287 64.509 63.200 0.036 0.000 0.991 422 S HN 0.745 nan 8.310 nan 0.000 0.533 423 V N 1.070 120.997 119.914 0.022 0.000 2.960 423 V HA 0.766 4.886 4.120 -0.000 0.000 0.315 423 V C 0.965 177.064 176.094 0.007 0.000 1.087 423 V CA -0.654 61.657 62.300 0.019 0.000 0.982 423 V CB 1.419 33.249 31.823 0.012 0.000 1.039 423 V HN 1.351 nan 8.190 nan 0.000 0.437 424 A N 0.000 122.823 122.820 0.006 0.000 2.254 424 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 424 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 424 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 424 A HN 0.000 nan 8.150 nan 0.000 0.486