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 1f8s_1_A DATA FIRST_RESID 5 DATA SEQUENCE NPLAEcFQEN DYEEFLEIAR NGLKATSNPK HVVIVGAGMA GLSAAYVLAG DATA SEQUENCE AGHQVTVLEA SERPGGRVRT YRNEEAGWYA NLGPMRLPEK HRIVREYIRK DATA SEQUENCE FDLRLNEFSQ ENDNAWYFIK NIRKKVGEVK KDPGLLKYPV KPSEAGKSAG DATA SEQUENCE QLYEESLGKV VEELKRTNcS YILNKYDTYS TKEYLIKEGD LSPGAVDMIG DATA SEQUENCE DLLNEDSGYY VSFIESLKHD DIFAYEKRFD EIVDGMDKLP TAMYRDIQDK DATA SEQUENCE VHFNAQVIKI QQNDQKVTVV YETLSKETPS VTADYVIVCT TSRAVRLIKF DATA SEQUENCE NPPLLPKKAH ALRSVHYRSG TKIFLTcTTK FWEDDGIHGG KSTTDLPSRF DATA SEQUENCE IYYPNHNFTN GVGVIIAYGI GDDANFFQAL DFKDCADIVF NDLSLIHQLP DATA SEQUENCE KKDIQSFcYP SVIQKWSLDK YAMGGITTFT PYQFQHFSDP LTASQGRIYF DATA SEQUENCE AGEYTAQAHG WIDSTIKSGL RAARDVNLAS EN 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.304 175.510 -0.343 0.000 1.280 5 N CA 0.000 52.470 53.050 -0.967 0.000 0.885 5 N CB 0.000 37.790 38.487 -1.161 0.000 1.341 6 P HA 0.012 nan 4.420 nan 0.000 0.225 6 P C 0.741 177.979 177.300 -0.102 0.000 1.148 6 P CA 0.789 63.836 63.100 -0.089 0.000 0.779 6 P CB 0.606 32.291 31.700 -0.025 0.000 0.780 7 L N -1.626 119.530 121.223 -0.112 0.000 2.728 7 L HA 0.297 4.663 4.340 0.044 0.000 0.238 7 L C 2.417 179.193 176.870 -0.156 0.000 1.143 7 L CA 0.079 54.847 54.840 -0.120 0.000 0.937 7 L CB -0.509 41.547 42.059 -0.005 0.000 1.225 7 L HN -0.157 nan 8.230 nan 0.000 0.507 8 A N 1.245 123.985 122.820 -0.134 0.000 1.896 8 A HA -0.339 4.008 4.320 0.044 0.000 0.220 8 A C 2.216 179.713 177.584 -0.145 0.000 1.206 8 A CA 2.534 54.504 52.037 -0.112 0.000 0.647 8 A CB -0.590 18.320 19.000 -0.151 0.000 0.828 8 A HN 0.587 nan 8.150 nan 0.000 0.455 9 E N -0.676 119.424 120.200 -0.167 0.000 2.136 9 E HA -0.276 4.101 4.350 0.044 0.000 0.202 9 E C 1.744 178.198 176.600 -0.245 0.000 1.019 9 E CA 1.903 58.201 56.400 -0.170 0.000 0.819 9 E CB -0.447 29.168 29.700 -0.143 0.000 0.739 9 E HN 0.657 nan 8.360 nan 0.000 0.458 10 c N -0.299 118.047 118.600 -0.423 0.000 2.500 10 c HA 0.074 4.670 4.570 0.044 0.000 0.273 10 c C 1.164 174.788 174.090 -0.776 0.000 1.428 10 c CA -0.124 55.821 56.329 -0.639 0.000 1.766 10 c CB -1.098 40.886 42.510 -0.877 0.000 1.817 10 c HN 0.343 nan 8.230 nan 0.000 0.543 11 F N 0.554 120.410 119.950 -0.157 0.000 2.850 11 F HA 0.245 4.799 4.527 0.045 0.000 0.306 11 F C 0.779 176.473 175.800 -0.177 0.000 1.162 11 F CA -0.323 57.572 58.000 -0.176 0.000 1.327 11 F CB -0.163 38.722 39.000 -0.192 0.000 0.953 11 F HN 0.220 nan 8.300 nan 0.000 0.507 12 Q N 1.139 120.901 119.800 -0.063 0.000 2.235 12 Q HA 0.205 4.572 4.340 0.044 0.000 0.250 12 Q C -0.016 175.938 176.000 -0.075 0.000 0.909 12 Q CA -0.760 54.981 55.803 -0.104 0.000 0.910 12 Q CB 1.563 30.243 28.738 -0.096 0.000 1.223 12 Q HN 0.162 nan 8.270 nan 0.000 0.432 13 E N 1.923 122.053 120.200 -0.117 0.000 2.384 13 E HA -0.016 4.360 4.350 0.044 0.000 0.266 13 E C -0.411 176.261 176.600 0.121 0.000 1.012 13 E CA -0.062 56.346 56.400 0.013 0.000 0.901 13 E CB 0.464 30.225 29.700 0.102 0.000 0.967 13 E HN 0.419 nan 8.360 nan 0.000 0.435 14 N N 2.308 121.085 118.700 0.128 0.000 2.483 14 N HA -0.077 4.689 4.740 0.044 0.000 0.264 14 N C -0.706 174.965 175.510 0.268 0.000 1.197 14 N CA 0.247 53.389 53.050 0.154 0.000 0.927 14 N CB 0.334 38.899 38.487 0.131 0.000 1.065 14 N HN 0.267 nan 8.380 nan 0.000 0.461 15 D N 1.505 122.028 120.400 0.204 0.000 2.751 15 D HA -0.269 4.397 4.640 0.044 0.000 0.233 15 D C 0.249 176.715 176.300 0.277 0.000 1.149 15 D CA 0.472 54.575 54.000 0.172 0.000 0.682 15 D CB -1.446 39.421 40.800 0.111 0.000 1.068 15 D HN 0.577 nan 8.370 nan 0.000 0.429 16 Y N 0.795 121.185 120.300 0.150 0.000 2.128 16 Y HA -0.256 4.320 4.550 0.044 0.000 0.284 16 Y C 2.160 178.121 175.900 0.101 0.000 1.154 16 Y CA 2.157 60.348 58.100 0.152 0.000 1.149 16 Y CB 0.178 38.677 38.460 0.066 0.000 0.976 16 Y HN 0.056 nan 8.280 nan 0.000 0.505 17 E N 0.224 120.475 120.200 0.084 0.000 2.049 17 E HA -0.293 4.083 4.350 0.044 0.000 0.198 17 E C 2.195 178.725 176.600 -0.116 0.000 1.007 17 E CA 1.672 58.055 56.400 -0.029 0.000 0.809 17 E CB -0.379 29.316 29.700 -0.008 0.000 0.749 17 E HN 0.640 nan 8.360 nan 0.000 0.450 18 E N -0.503 119.608 120.200 -0.147 0.000 2.070 18 E HA -0.192 4.184 4.350 0.044 0.000 0.197 18 E C 1.984 178.357 176.600 -0.379 0.000 1.004 18 E CA 1.206 57.426 56.400 -0.301 0.000 0.805 18 E CB -0.154 29.279 29.700 -0.446 0.000 0.744 18 E HN 0.203 nan 8.360 nan 0.000 0.451 19 F N -0.194 119.683 119.950 -0.121 0.000 2.367 19 F HA -0.092 4.462 4.527 0.046 0.000 0.298 19 F C 2.102 177.774 175.800 -0.213 0.000 1.094 19 F CA 0.019 57.935 58.000 -0.139 0.000 1.409 19 F CB -0.016 38.911 39.000 -0.123 0.000 1.064 19 F HN 0.132 nan 8.300 nan 0.000 0.528 20 L N 0.706 121.818 121.223 -0.184 0.000 2.093 20 L HA -0.154 4.213 4.340 0.044 0.000 0.208 20 L C 2.313 179.086 176.870 -0.161 0.000 1.085 20 L CA 1.783 56.476 54.840 -0.244 0.000 0.755 20 L CB -0.812 41.063 42.059 -0.306 0.000 0.904 20 L HN 0.071 nan 8.230 nan 0.000 0.435 21 E N 0.067 120.184 120.200 -0.138 0.000 2.077 21 E HA -0.209 4.168 4.350 0.044 0.000 0.193 21 E C 2.067 178.611 176.600 -0.094 0.000 0.989 21 E CA 1.872 58.203 56.400 -0.115 0.000 0.800 21 E CB -0.446 29.185 29.700 -0.116 0.000 0.746 21 E HN 0.618 nan 8.360 nan 0.000 0.452 22 I N 0.329 120.856 120.570 -0.071 0.000 2.315 22 I HA -0.214 3.982 4.170 0.044 0.000 0.248 22 I C 2.362 178.486 176.117 0.010 0.000 1.117 22 I CA 0.939 62.236 61.300 -0.005 0.000 1.404 22 I CB -0.404 37.635 38.000 0.065 0.000 1.071 22 I HN 0.209 nan 8.210 nan 0.000 0.419 23 A N 1.001 123.792 122.820 -0.048 0.000 1.902 23 A HA -0.202 4.144 4.320 0.044 0.000 0.217 23 A C 2.386 179.743 177.584 -0.379 0.000 1.181 23 A CA 1.534 53.418 52.037 -0.255 0.000 0.623 23 A CB -0.484 18.305 19.000 -0.351 0.000 0.818 23 A HN 0.315 nan 8.150 nan 0.000 0.443 24 R N -0.583 119.769 120.500 -0.247 0.000 2.057 24 R HA -0.002 4.364 4.340 0.044 0.000 0.229 24 R C 0.830 177.052 176.300 -0.130 0.000 1.136 24 R CA 1.471 57.446 56.100 -0.209 0.000 0.952 24 R CB -0.160 30.047 30.300 -0.155 0.000 0.848 24 R HN 0.484 nan 8.270 nan 0.000 0.430 25 N N -0.522 118.128 118.700 -0.084 0.000 2.184 25 N HA 0.144 4.910 4.740 0.044 0.000 0.206 25 N C 0.245 175.746 175.510 -0.015 0.000 1.151 25 N CA 0.767 53.789 53.050 -0.047 0.000 0.878 25 N CB 1.676 40.133 38.487 -0.050 0.000 1.014 25 N HN 0.303 nan 8.380 nan 0.000 0.512 26 G N 1.151 109.957 108.800 0.011 0.000 2.796 26 G HA2 -0.232 3.755 3.960 0.044 0.000 0.571 26 G HA3 -0.232 3.755 3.960 0.044 0.000 0.571 26 G C -0.505 174.411 174.900 0.027 0.000 1.370 26 G CA -0.708 44.422 45.100 0.051 0.000 0.856 26 G HN 0.125 nan 8.290 nan 0.000 0.538 27 L N -0.024 121.223 121.223 0.040 0.000 2.475 27 L HA 0.393 4.759 4.340 0.044 0.000 0.253 27 L C 1.406 178.279 176.870 0.004 0.000 1.198 27 L CA -0.513 54.341 54.840 0.023 0.000 0.814 27 L CB 0.547 42.632 42.059 0.044 0.000 1.134 27 L HN 0.715 nan 8.230 nan 0.000 0.478 28 K N 1.490 121.887 120.400 -0.005 0.000 2.412 28 K HA 0.246 4.592 4.320 0.044 0.000 0.284 28 K C -0.228 176.366 176.600 -0.009 0.000 1.046 28 K CA -0.460 55.819 56.287 -0.013 0.000 0.999 28 K CB 0.731 33.221 32.500 -0.017 0.000 0.941 28 K HN 0.631 nan 8.250 nan 0.000 0.474 29 A N 3.836 126.642 122.820 -0.024 0.000 2.587 29 A HA -0.031 4.316 4.320 0.044 0.000 0.235 29 A C 0.351 177.903 177.584 -0.054 0.000 1.044 29 A CA 0.461 52.472 52.037 -0.043 0.000 0.754 29 A CB 0.152 19.125 19.000 -0.046 0.000 0.968 29 A HN 0.797 nan 8.150 nan 0.000 0.509 30 T N 0.767 115.257 114.554 -0.107 0.000 2.909 30 T HA 0.401 4.777 4.350 0.044 0.000 0.289 30 T C 1.248 175.879 174.700 -0.115 0.000 1.005 30 T CA 0.117 62.139 62.100 -0.130 0.000 1.084 30 T CB 0.464 69.122 68.868 -0.350 0.000 0.975 30 T HN 1.172 nan 8.240 nan 0.000 0.509 31 S N 2.734 118.394 115.700 -0.067 0.000 2.559 31 S HA 0.227 4.724 4.470 0.044 0.000 0.226 31 S C 0.447 175.025 174.600 -0.037 0.000 1.000 31 S CA -0.519 57.652 58.200 -0.048 0.000 0.948 31 S CB -0.091 63.094 63.200 -0.025 0.000 0.870 31 S HN 0.633 nan 8.310 nan 0.000 0.497 32 N N 2.277 120.955 118.700 -0.037 0.000 2.752 32 N HA 0.439 5.206 4.740 0.044 0.000 0.260 32 N C -3.394 172.119 175.510 0.005 0.000 1.562 32 N CA -1.647 51.406 53.050 0.005 0.000 0.788 32 N CB 0.950 39.467 38.487 0.050 0.000 1.192 32 N HN -0.000 nan 8.380 nan 0.000 0.503 33 P HA 0.037 nan 4.420 nan 0.000 0.264 33 P C -0.617 176.771 177.300 0.146 0.000 1.183 33 P CA 0.453 63.497 63.100 -0.093 0.000 0.763 33 P CB 0.560 32.207 31.700 -0.088 0.000 0.807 34 K N 1.722 122.381 120.400 0.432 0.000 2.400 34 K HA 0.392 4.739 4.320 0.044 0.000 0.246 34 K C -0.766 176.045 176.600 0.352 0.000 0.995 34 K CA -0.871 55.645 56.287 0.383 0.000 0.840 34 K CB 1.304 34.062 32.500 0.430 0.000 1.293 34 K HN 0.466 nan 8.250 nan 0.000 0.445 35 H N 0.899 120.052 119.070 0.139 0.000 2.594 35 H HA 0.435 5.018 4.556 0.045 0.000 0.304 35 H C -1.243 174.132 175.328 0.078 0.000 1.068 35 H CA -0.625 55.473 56.048 0.084 0.000 1.308 35 H CB 0.278 30.066 29.762 0.043 0.000 1.409 35 H HN 0.124 nan 8.280 nan 0.000 0.460 36 V N 6.542 126.544 119.914 0.146 0.000 2.448 36 V HA 0.280 4.427 4.120 0.044 0.000 0.295 36 V C -0.227 175.803 176.094 -0.107 0.000 1.025 36 V CA -0.929 61.358 62.300 -0.021 0.000 0.859 36 V CB 1.803 33.603 31.823 -0.039 0.000 0.988 36 V HN 0.542 nan 8.190 nan 0.000 0.431 37 V N 5.737 125.548 119.914 -0.172 0.000 2.439 37 V HA 0.475 4.622 4.120 0.044 0.000 0.282 37 V C -0.204 175.822 176.094 -0.114 0.000 1.039 37 V CA -0.467 61.731 62.300 -0.170 0.000 0.913 37 V CB 1.698 33.404 31.823 -0.196 0.000 0.983 37 V HN 0.577 nan 8.190 nan 0.000 0.460 38 I N 5.353 125.854 120.570 -0.115 0.000 2.362 38 I HA 0.344 4.541 4.170 0.044 0.000 0.289 38 I C -0.155 175.897 176.117 -0.108 0.000 0.994 38 I CA -0.548 60.696 61.300 -0.092 0.000 1.158 38 I CB 1.708 39.663 38.000 -0.074 0.000 1.315 38 I HN 0.236 nan 8.210 nan 0.000 0.451 39 V N 5.398 125.265 119.914 -0.078 0.000 2.334 39 V HA 0.746 4.893 4.120 0.044 0.000 0.267 39 V C 0.582 176.652 176.094 -0.041 0.000 1.040 39 V CA -0.302 61.956 62.300 -0.071 0.000 0.866 39 V CB 0.515 32.317 31.823 -0.035 0.000 1.019 39 V HN 1.065 nan 8.190 nan 0.000 0.468 40 G N 4.173 112.929 108.800 -0.072 0.000 3.355 40 G HA2 0.273 4.260 3.960 0.044 0.000 0.686 40 G HA3 0.273 4.260 3.960 0.044 0.000 0.686 40 G C -0.207 174.664 174.900 -0.049 0.000 1.097 40 G CA -0.359 44.711 45.100 -0.050 0.000 0.881 40 G HN 1.439 nan 8.290 nan 0.000 0.550 41 A N 1.835 124.623 122.820 -0.054 0.000 3.181 41 A HA 0.778 5.124 4.320 0.044 0.000 0.293 41 A C 1.311 178.892 177.584 -0.006 0.000 1.346 41 A CA 1.044 53.060 52.037 -0.035 0.000 1.018 41 A CB -0.242 18.725 19.000 -0.054 0.000 1.093 41 A HN 2.076 nan 8.150 nan 0.000 0.629 42 G N -1.106 107.694 108.800 -0.000 0.000 2.532 42 G HA2 0.420 4.406 3.960 0.044 0.000 0.291 42 G HA3 0.420 4.406 3.960 0.044 0.000 0.291 42 G C 0.966 175.861 174.900 -0.009 0.000 1.349 42 G CA -0.502 44.602 45.100 0.007 0.000 1.038 42 G HN 0.113 nan 8.290 nan 0.000 0.518 43 M N 0.102 119.692 119.600 -0.016 0.000 2.159 43 M HA -0.073 4.434 4.480 0.044 0.000 0.263 43 M C 2.825 179.099 176.300 -0.044 0.000 1.063 43 M CA 1.503 56.780 55.300 -0.038 0.000 1.110 43 M CB -1.608 30.973 32.600 -0.032 0.000 1.374 43 M HN 0.593 nan 8.290 nan 0.000 0.411 44 A N 0.066 122.873 122.820 -0.021 0.000 1.855 44 A HA 0.009 4.355 4.320 0.044 0.000 0.215 44 A C 2.454 180.026 177.584 -0.019 0.000 1.191 44 A CA 1.987 54.010 52.037 -0.023 0.000 0.613 44 A CB -1.443 17.553 19.000 -0.007 0.000 0.829 44 A HN 0.487 nan 8.150 nan 0.000 0.442 45 G N -0.333 108.462 108.800 -0.009 0.000 2.402 45 G HA2 -0.129 3.858 3.960 0.044 0.000 0.216 45 G HA3 -0.129 3.858 3.960 0.044 0.000 0.216 45 G C 1.574 176.468 174.900 -0.009 0.000 1.162 45 G CA 0.977 46.070 45.100 -0.012 0.000 0.777 45 G HN 0.407 nan 8.290 nan 0.000 0.539 46 L N 0.771 121.988 121.223 -0.010 0.000 2.046 46 L HA -0.094 4.272 4.340 0.044 0.000 0.208 46 L C 3.208 180.087 176.870 0.015 0.000 1.077 46 L CA 1.216 56.061 54.840 0.008 0.000 0.747 46 L CB -0.333 41.719 42.059 -0.011 0.000 0.896 46 L HN 0.187 nan 8.230 nan 0.000 0.432 47 S N -0.143 115.527 115.700 -0.050 0.000 2.355 47 S HA -0.151 4.346 4.470 0.044 0.000 0.222 47 S C 2.198 176.832 174.600 0.056 0.000 1.031 47 S CA 1.167 59.325 58.200 -0.070 0.000 0.993 47 S CB -0.294 62.826 63.200 -0.133 0.000 0.859 47 S HN 0.497 nan 8.310 nan 0.000 0.453 48 A N 1.736 124.572 122.820 0.026 0.000 1.877 48 A HA 0.069 4.415 4.320 0.044 0.000 0.216 48 A C 2.376 179.984 177.584 0.040 0.000 1.186 48 A CA 1.808 53.859 52.037 0.023 0.000 0.620 48 A CB -1.194 17.795 19.000 -0.017 0.000 0.822 48 A HN 0.517 nan 8.150 nan 0.000 0.443 49 A N -1.646 121.199 122.820 0.043 0.000 1.902 49 A HA -0.122 4.224 4.320 0.044 0.000 0.217 49 A C 2.146 179.783 177.584 0.089 0.000 1.181 49 A CA 1.704 53.768 52.037 0.046 0.000 0.623 49 A CB -0.860 18.161 19.000 0.036 0.000 0.818 49 A HN 0.713 nan 8.150 nan 0.000 0.443 50 Y N 1.050 121.364 120.300 0.023 0.000 2.097 50 Y HA -0.251 4.326 4.550 0.044 0.000 0.282 50 Y C 2.537 178.490 175.900 0.089 0.000 1.152 50 Y CA 2.649 60.788 58.100 0.065 0.000 1.136 50 Y CB -0.258 38.249 38.460 0.078 0.000 0.975 50 Y HN 0.211 nan 8.280 nan 0.000 0.498 51 V N -1.813 118.233 119.914 0.221 0.000 2.548 51 V HA -0.178 3.969 4.120 0.044 0.000 0.249 51 V C 2.090 178.218 176.094 0.057 0.000 1.055 51 V CA 1.682 64.068 62.300 0.142 0.000 1.065 51 V CB -0.953 30.996 31.823 0.211 0.000 0.681 51 V HN 0.447 nan 8.190 nan 0.000 0.462 52 L N 0.629 121.882 121.223 0.050 0.000 2.093 52 L HA 0.026 4.392 4.340 0.044 0.000 0.208 52 L C 3.006 179.932 176.870 0.093 0.000 1.085 52 L CA 1.498 56.378 54.840 0.066 0.000 0.755 52 L CB -0.754 41.295 42.059 -0.017 0.000 0.904 52 L HN 0.421 nan 8.230 nan 0.000 0.435 53 A N 0.226 123.053 122.820 0.012 0.000 1.898 53 A HA -0.105 4.241 4.320 0.044 0.000 0.216 53 A C 2.379 179.921 177.584 -0.069 0.000 1.181 53 A CA 1.609 53.632 52.037 -0.024 0.000 0.620 53 A CB -1.215 17.744 19.000 -0.070 0.000 0.819 53 A HN 0.425 nan 8.150 nan 0.000 0.442 54 G N -0.606 108.114 108.800 -0.134 0.000 2.432 54 G HA2 0.046 4.033 3.960 0.044 0.000 0.219 54 G HA3 0.046 4.033 3.960 0.044 0.000 0.219 54 G C 1.531 176.395 174.900 -0.061 0.000 1.135 54 G CA 1.179 46.198 45.100 -0.135 0.000 0.767 54 G HN 0.821 nan 8.290 nan 0.000 0.550 55 A N -0.518 122.295 122.820 -0.011 0.000 2.167 55 A HA 0.445 4.792 4.320 0.044 0.000 0.214 55 A C 2.024 179.554 177.584 -0.090 0.000 1.151 55 A CA 1.487 53.521 52.037 -0.004 0.000 0.735 55 A CB -0.336 18.722 19.000 0.097 0.000 0.802 55 A HN 1.572 nan 8.150 nan 0.000 0.467 56 G N -2.111 106.636 108.800 -0.088 0.000 2.184 56 G HA2 -0.179 3.808 3.960 0.044 0.000 0.206 56 G HA3 -0.179 3.808 3.960 0.044 0.000 0.206 56 G C 0.039 174.831 174.900 -0.180 0.000 0.995 56 G CA 0.186 45.199 45.100 -0.146 0.000 0.651 56 G HN 0.697 nan 8.290 nan 0.000 0.511 57 H N 0.239 119.299 119.070 -0.016 0.000 2.546 57 H HA 0.556 5.139 4.556 0.045 0.000 0.365 57 H C 0.606 175.940 175.328 0.010 0.000 1.220 57 H CA 0.349 56.401 56.048 0.007 0.000 1.386 57 H CB 0.737 30.507 29.762 0.013 0.000 1.510 57 H HN 0.258 nan 8.280 nan 0.000 0.591 58 Q N 2.351 122.260 119.800 0.181 0.000 2.349 58 Q HA 0.348 4.714 4.340 0.044 0.000 0.254 58 Q C -1.164 174.955 176.000 0.199 0.000 0.980 58 Q CA -0.803 55.059 55.803 0.098 0.000 0.924 58 Q CB 0.513 29.237 28.738 -0.024 0.000 1.209 58 Q HN 0.525 nan 8.270 nan 0.000 0.445 59 V N 1.606 121.596 119.914 0.127 0.000 2.581 59 V HA 0.741 4.888 4.120 0.044 0.000 0.303 59 V C -0.628 175.521 176.094 0.091 0.000 1.041 59 V CA -0.372 61.998 62.300 0.116 0.000 0.907 59 V CB 2.034 33.886 31.823 0.049 0.000 0.994 59 V HN 0.687 nan 8.190 nan 0.000 0.442 60 T N 4.318 118.905 114.554 0.054 0.000 2.864 60 T HA 0.551 4.928 4.350 0.044 0.000 0.299 60 T C -0.542 174.047 174.700 -0.185 0.000 1.011 60 T CA -0.306 61.752 62.100 -0.069 0.000 0.975 60 T CB 1.262 70.112 68.868 -0.030 0.000 0.962 60 T HN 0.739 nan 8.240 nan 0.000 0.448 61 V N 5.415 125.199 119.914 -0.217 0.000 2.394 61 V HA 0.475 4.621 4.120 0.044 0.000 0.282 61 V C -0.203 175.683 176.094 -0.346 0.000 1.031 61 V CA -0.776 61.391 62.300 -0.220 0.000 0.881 61 V CB 1.197 32.936 31.823 -0.140 0.000 0.982 61 V HN 0.729 nan 8.190 nan 0.000 0.451 62 L N 4.455 125.476 121.223 -0.337 0.000 2.294 62 L HA 0.608 4.975 4.340 0.044 0.000 0.283 62 L C -0.286 176.420 176.870 -0.274 0.000 1.015 62 L CA -0.426 54.175 54.840 -0.399 0.000 0.831 62 L CB 1.605 43.376 42.059 -0.479 0.000 1.217 62 L HN 0.612 nan 8.230 nan 0.000 0.420 63 E N 2.294 122.334 120.200 -0.266 0.000 2.158 63 E HA 0.502 4.879 4.350 0.044 0.000 0.271 63 E C 0.373 176.883 176.600 -0.150 0.000 0.911 63 E CA -0.293 55.996 56.400 -0.185 0.000 0.767 63 E CB 2.060 31.667 29.700 -0.154 0.000 1.120 63 E HN 0.560 nan 8.360 nan 0.000 0.405 64 A N 3.685 126.360 122.820 -0.241 0.000 1.902 64 A HA -0.036 4.310 4.320 0.044 0.000 0.217 64 A C 1.299 178.679 177.584 -0.340 0.000 1.181 64 A CA 1.532 53.378 52.037 -0.319 0.000 0.623 64 A CB -0.766 17.902 19.000 -0.552 0.000 0.818 64 A HN 0.706 nan 8.150 nan 0.000 0.443 65 S N -0.259 115.172 115.700 -0.449 0.000 2.652 65 S HA 0.247 4.743 4.470 0.044 0.000 0.267 65 S C 0.817 175.428 174.600 0.019 0.000 1.201 65 S CA 0.280 58.381 58.200 -0.166 0.000 0.996 65 S CB 0.500 63.635 63.200 -0.109 0.000 1.054 65 S HN 0.492 nan 8.310 nan 0.000 0.561 66 E N 0.258 120.436 120.200 -0.037 0.000 2.479 66 E HA 0.074 4.451 4.350 0.044 0.000 0.193 66 E C 0.425 176.632 176.600 -0.655 0.000 1.049 66 E CA -0.197 56.090 56.400 -0.189 0.000 0.870 66 E CB -0.226 29.390 29.700 -0.140 0.000 0.944 66 E HN 0.751 nan 8.360 nan 0.000 0.492 67 R N 0.012 120.215 120.500 -0.494 0.000 2.799 67 R HA 0.617 4.984 4.340 0.044 0.000 0.270 67 R C -3.087 173.101 176.300 -0.187 0.000 1.010 67 R CA -1.877 53.831 56.100 -0.652 0.000 0.916 67 R CB 1.445 31.535 30.300 -0.350 0.000 1.228 67 R HN -0.213 nan 8.270 nan 0.000 0.469 68 P HA 0.290 nan 4.420 nan 0.000 0.287 68 P C 0.062 177.348 177.300 -0.023 0.000 1.270 68 P CA 0.283 63.391 63.100 0.015 0.000 0.844 68 P CB 1.870 33.520 31.700 -0.084 0.000 1.068 69 G N 0.248 109.051 108.800 0.006 0.000 2.428 69 G HA2 -0.006 3.981 3.960 0.044 0.000 0.199 69 G HA3 -0.006 3.981 3.960 0.044 0.000 0.199 69 G C 0.695 175.610 174.900 0.026 0.000 1.005 69 G CA 0.400 45.504 45.100 0.006 0.000 0.671 69 G HN 0.905 nan 8.290 nan 0.000 0.485 70 G N 0.576 109.407 108.800 0.051 0.000 2.629 70 G HA2 -0.397 3.589 3.960 0.044 0.000 0.313 70 G HA3 -0.397 3.589 3.960 0.044 0.000 0.313 70 G C 0.975 175.948 174.900 0.123 0.000 1.217 70 G CA 1.491 46.642 45.100 0.086 0.000 0.994 70 G HN 1.095 nan 8.290 nan 0.000 0.549 71 R N -0.181 120.318 120.500 -0.003 0.000 2.280 71 R HA 0.214 4.580 4.340 0.044 0.000 0.207 71 R C 0.807 177.005 176.300 -0.170 0.000 1.043 71 R CA 0.615 56.557 56.100 -0.263 0.000 1.006 71 R CB -0.038 29.940 30.300 -0.537 0.000 0.885 71 R HN 0.244 nan 8.270 nan 0.000 0.467 72 V N 2.264 122.153 119.914 -0.041 0.000 2.356 72 V HA 0.176 4.322 4.120 0.044 0.000 0.258 72 V C 0.076 176.213 176.094 0.072 0.000 1.065 72 V CA -0.051 62.247 62.300 -0.003 0.000 0.935 72 V CB 0.448 32.264 31.823 -0.011 0.000 1.061 72 V HN 0.153 nan 8.190 nan 0.000 0.484 73 R N 3.071 123.661 120.500 0.150 0.000 2.621 73 R HA 0.654 5.021 4.340 0.044 0.000 0.284 73 R C -1.101 175.282 176.300 0.139 0.000 0.998 73 R CA -0.388 55.812 56.100 0.168 0.000 0.895 73 R CB 2.213 32.697 30.300 0.306 0.000 1.195 73 R HN 0.592 nan 8.270 nan 0.000 0.450 74 T N 3.379 117.972 114.554 0.066 0.000 2.841 74 T HA 0.202 4.578 4.350 0.044 0.000 0.285 74 T C -1.459 173.269 174.700 0.046 0.000 0.991 74 T CA -0.409 61.727 62.100 0.061 0.000 0.966 74 T CB 0.711 69.554 68.868 -0.041 0.000 0.962 74 T HN 0.443 nan 8.240 nan 0.000 0.438 75 Y N 3.769 124.039 120.300 -0.051 0.000 2.316 75 Y HA 0.546 5.123 4.550 0.046 0.000 0.331 75 Y C 0.335 176.143 175.900 -0.153 0.000 1.083 75 Y CA -0.396 57.635 58.100 -0.115 0.000 1.206 75 Y CB 0.538 38.907 38.460 -0.150 0.000 1.195 75 Y HN 0.471 nan 8.280 nan 0.000 0.497 76 R N 4.505 124.571 120.500 -0.722 0.000 2.750 76 R HA 0.272 4.638 4.340 0.044 0.000 0.281 76 R C -1.373 174.400 176.300 -0.879 0.000 0.972 76 R CA -1.031 54.697 56.100 -0.620 0.000 0.912 76 R CB 1.804 31.888 30.300 -0.361 0.000 1.187 76 R HN 0.801 nan 8.270 nan 0.000 0.464 77 N N 1.137 119.317 118.700 -0.867 0.000 2.762 77 N HA 0.055 4.822 4.740 0.044 0.000 0.252 77 N C -0.099 175.105 175.510 -0.510 0.000 1.269 77 N CA -0.044 52.559 53.050 -0.744 0.000 0.799 77 N CB 0.910 38.774 38.487 -1.039 0.000 1.173 77 N HN 0.477 nan 8.380 nan 0.000 0.516 78 E N 0.987 120.990 120.200 -0.328 0.000 2.065 78 E HA -0.255 4.121 4.350 0.044 0.000 0.201 78 E C 0.962 177.481 176.600 -0.135 0.000 1.016 78 E CA 1.787 58.069 56.400 -0.197 0.000 0.818 78 E CB 0.177 29.790 29.700 -0.145 0.000 0.749 78 E HN 0.635 nan 8.360 nan 0.000 0.453 79 E N -0.373 119.758 120.200 -0.116 0.000 2.110 79 E HA -0.133 4.244 4.350 0.044 0.000 0.193 79 E C 1.840 178.434 176.600 -0.010 0.000 0.988 79 E CA 0.972 57.342 56.400 -0.049 0.000 0.804 79 E CB -0.117 29.562 29.700 -0.036 0.000 0.745 79 E HN 0.278 nan 8.360 nan 0.000 0.458 80 A N 0.480 123.285 122.820 -0.025 0.000 2.169 80 A HA 0.221 4.568 4.320 0.044 0.000 0.212 80 A C 1.703 179.374 177.584 0.145 0.000 1.153 80 A CA 0.743 52.858 52.037 0.130 0.000 0.756 80 A CB -0.327 18.868 19.000 0.324 0.000 0.813 80 A HN 0.312 nan 8.150 nan 0.000 0.471 81 G N -1.306 107.469 108.800 -0.043 0.000 2.225 81 G HA2 -0.224 3.763 3.960 0.044 0.000 0.264 81 G HA3 -0.224 3.763 3.960 0.044 0.000 0.264 81 G C -0.103 174.678 174.900 -0.198 0.000 1.060 81 G CA 0.429 45.505 45.100 -0.041 0.000 0.833 81 G HN 1.370 nan 8.290 nan 0.000 0.498 82 W N -1.618 119.392 121.300 -0.483 0.000 3.025 82 W HA 0.741 5.426 4.660 0.042 0.000 0.343 82 W C -0.736 175.513 176.519 -0.450 0.000 1.246 82 W CA -1.574 55.096 57.345 -1.126 0.000 1.178 82 W CB 0.654 29.473 29.460 -1.068 0.000 1.463 82 W HN 0.565 nan 8.180 nan 0.000 0.578 83 Y N -0.280 120.012 120.300 -0.013 0.000 2.644 83 Y HA 0.875 5.451 4.550 0.043 0.000 0.338 83 Y C -1.578 174.646 175.900 0.540 0.000 1.119 83 Y CA -1.919 56.279 58.100 0.164 0.000 1.060 83 Y CB 1.223 39.741 38.460 0.097 0.000 1.294 83 Y HN 0.839 nan 8.280 nan 0.000 0.472 84 A N 2.194 125.390 122.820 0.627 0.000 2.437 84 A HA 0.507 4.853 4.320 0.044 0.000 0.293 84 A C -1.789 175.956 177.584 0.269 0.000 1.038 84 A CA -1.026 51.222 52.037 0.352 0.000 0.708 84 A CB 0.853 19.755 19.000 -0.164 0.000 1.251 84 A HN 0.713 nan 8.150 nan 0.000 0.409 85 N N 2.803 121.736 118.700 0.389 0.000 2.401 85 N HA 0.213 4.980 4.740 0.044 0.000 0.255 85 N C 1.028 176.705 175.510 0.279 0.000 1.110 85 N CA -0.120 53.105 53.050 0.292 0.000 0.949 85 N CB 1.179 39.848 38.487 0.303 0.000 1.110 85 N HN 0.664 nan 8.380 nan 0.000 0.490 86 L N 0.615 121.977 121.223 0.230 0.000 2.240 86 L HA 0.067 4.434 4.340 0.044 0.000 0.211 86 L C 1.755 178.994 176.870 0.615 0.000 1.106 86 L CA 0.773 55.836 54.840 0.371 0.000 0.793 86 L CB -0.148 42.054 42.059 0.239 0.000 0.927 86 L HN 0.494 nan 8.230 nan 0.000 0.446 87 G N -0.570 108.485 108.800 0.424 0.000 3.110 87 G HA2 0.270 4.256 3.960 0.044 0.000 0.207 87 G HA3 0.270 4.256 3.960 0.044 0.000 0.207 87 G C -2.348 172.509 174.900 -0.071 0.000 1.841 87 G CA -0.254 44.914 45.100 0.114 0.000 0.751 87 G HN -0.003 nan 8.290 nan 0.000 0.771 88 P HA 0.155 nan 4.420 nan 0.000 0.265 88 P C 0.383 177.640 177.300 -0.072 0.000 1.187 88 P CA 0.898 63.922 63.100 -0.126 0.000 0.766 88 P CB 0.646 32.299 31.700 -0.078 0.000 0.820 89 M N 1.250 120.764 119.600 -0.143 0.000 2.163 89 M HA 0.263 4.769 4.480 0.044 0.000 0.356 89 M C -0.155 175.974 176.300 -0.285 0.000 0.863 89 M CA -0.059 55.164 55.300 -0.129 0.000 1.113 89 M CB 0.903 33.401 32.600 -0.169 0.000 2.038 89 M HN 0.101 nan 8.290 nan 0.000 0.691 90 R N 1.126 121.450 120.500 -0.293 0.000 2.698 90 R HA 0.827 5.194 4.340 0.044 0.000 0.275 90 R C -1.884 174.514 176.300 0.162 0.000 1.001 90 R CA -0.864 55.102 56.100 -0.223 0.000 0.896 90 R CB 1.853 31.751 30.300 -0.669 0.000 1.218 90 R HN 0.227 nan 8.270 nan 0.000 0.462 91 L N 1.634 122.972 121.223 0.192 0.000 2.376 91 L HA 0.504 4.870 4.340 0.044 0.000 0.275 91 L C -2.509 174.249 176.870 -0.187 0.000 0.987 91 L CA -2.531 52.387 54.840 0.130 0.000 0.828 91 L CB 2.512 44.641 42.059 0.117 0.000 1.249 91 L HN 0.382 nan 8.230 nan 0.000 0.409 92 P HA 0.016 nan 4.420 nan 0.000 0.268 92 P C 0.462 177.356 177.300 -0.676 0.000 1.205 92 P CA -0.087 62.275 63.100 -1.229 0.000 0.771 92 P CB 0.868 31.602 31.700 -1.609 0.000 0.858 93 E N 3.305 123.166 120.200 -0.565 0.000 2.160 93 E HA -0.272 4.104 4.350 0.044 0.000 0.195 93 E C 1.560 178.032 176.600 -0.214 0.000 0.991 93 E CA 1.241 57.472 56.400 -0.283 0.000 0.810 93 E CB -0.049 29.519 29.700 -0.220 0.000 0.742 93 E HN 0.316 nan 8.360 nan 0.000 0.466 94 K N 0.032 120.251 120.400 -0.302 0.000 2.362 94 K HA -0.116 4.230 4.320 0.044 0.000 0.200 94 K C -0.038 176.558 176.600 -0.008 0.000 1.046 94 K CA 0.664 56.843 56.287 -0.180 0.000 0.952 94 K CB -0.124 32.227 32.500 -0.249 0.000 0.753 94 K HN 0.300 nan 8.250 nan 0.000 0.466 95 H N 1.279 120.256 119.070 -0.156 0.000 3.014 95 H HA 0.129 4.711 4.556 0.043 0.000 0.266 95 H C 0.622 175.986 175.328 0.060 0.000 1.455 95 H CA -0.954 55.072 56.048 -0.037 0.000 1.402 95 H CB 0.644 30.363 29.762 -0.071 0.000 1.626 95 H HN 0.110 nan 8.280 nan 0.000 0.520 96 R N 1.992 122.652 120.500 0.267 0.000 2.081 96 R HA -0.131 4.235 4.340 0.044 0.000 0.235 96 R C 1.851 178.191 176.300 0.067 0.000 1.131 96 R CA 0.935 57.129 56.100 0.157 0.000 0.960 96 R CB -0.279 30.137 30.300 0.195 0.000 0.856 96 R HN 0.582 nan 8.270 nan 0.000 0.436 97 I N 0.356 120.973 120.570 0.078 0.000 2.142 97 I HA -0.245 3.952 4.170 0.044 0.000 0.240 97 I C 2.610 178.799 176.117 0.120 0.000 1.078 97 I CA 1.185 62.492 61.300 0.012 0.000 1.343 97 I CB -0.456 37.545 38.000 0.002 0.000 1.046 97 I HN -0.025 nan 8.210 nan 0.000 0.405 98 V N 1.181 121.195 119.914 0.166 0.000 2.407 98 V HA -0.277 3.870 4.120 0.044 0.000 0.248 98 V C 2.595 178.785 176.094 0.158 0.000 1.055 98 V CA 1.895 64.316 62.300 0.201 0.000 1.049 98 V CB -0.485 31.446 31.823 0.179 0.000 0.662 98 V HN 0.345 nan 8.190 nan 0.000 0.455 99 R N -0.264 120.298 120.500 0.103 0.000 2.120 99 R HA -0.176 4.191 4.340 0.044 0.000 0.234 99 R C 2.252 178.548 176.300 -0.008 0.000 1.123 99 R CA 1.617 57.749 56.100 0.054 0.000 0.975 99 R CB -0.282 30.041 30.300 0.038 0.000 0.866 99 R HN 0.658 nan 8.270 nan 0.000 0.446 100 E N 0.196 120.353 120.200 -0.072 0.000 2.072 100 E HA -0.190 4.187 4.350 0.044 0.000 0.191 100 E C 1.380 177.793 176.600 -0.312 0.000 0.985 100 E CA 1.562 57.834 56.400 -0.213 0.000 0.801 100 E CB -0.284 29.226 29.700 -0.318 0.000 0.750 100 E HN 0.412 nan 8.360 nan 0.000 0.452 101 Y N 0.080 120.285 120.300 -0.159 0.000 2.242 101 Y HA -0.040 4.537 4.550 0.045 0.000 0.291 101 Y C 2.250 178.033 175.900 -0.195 0.000 1.137 101 Y CA 1.196 59.115 58.100 -0.302 0.000 1.181 101 Y CB -0.083 38.306 38.460 -0.119 0.000 0.989 101 Y HN 0.052 nan 8.280 nan 0.000 0.527 102 I N -0.337 120.312 120.570 0.131 0.000 2.208 102 I HA -0.341 3.855 4.170 0.044 0.000 0.245 102 I C 2.728 178.885 176.117 0.065 0.000 1.097 102 I CA 1.381 62.770 61.300 0.148 0.000 1.363 102 I CB -0.320 37.748 38.000 0.113 0.000 1.051 102 I HN 0.169 nan 8.210 nan 0.000 0.413 103 R N 1.280 121.768 120.500 -0.020 0.000 2.073 103 R HA -0.173 4.193 4.340 0.044 0.000 0.229 103 R C 2.301 178.543 176.300 -0.096 0.000 1.120 103 R CA 1.302 57.376 56.100 -0.043 0.000 0.967 103 R CB -0.146 30.117 30.300 -0.061 0.000 0.862 103 R HN 0.253 nan 8.270 nan 0.000 0.436 104 K N -0.246 120.009 120.400 -0.241 0.000 2.103 104 K HA -0.143 4.203 4.320 0.044 0.000 0.207 104 K C 0.966 177.404 176.600 -0.270 0.000 1.048 104 K CA 1.371 57.446 56.287 -0.353 0.000 0.930 104 K CB -0.055 32.056 32.500 -0.648 0.000 0.716 104 K HN 0.094 nan 8.250 nan 0.000 0.444 105 F N 1.689 121.662 119.950 0.039 0.000 2.692 105 F HA 0.110 4.664 4.527 0.044 0.000 0.303 105 F C -0.125 175.693 175.800 0.029 0.000 1.114 105 F CA -0.270 57.753 58.000 0.038 0.000 1.361 105 F CB -0.007 39.013 39.000 0.034 0.000 1.063 105 F HN 0.056 nan 8.300 nan 0.000 0.550 106 D N 0.977 121.460 120.400 0.138 0.000 2.723 106 D HA -0.212 4.455 4.640 0.044 0.000 0.236 106 D C -0.084 176.276 176.300 0.099 0.000 1.138 106 D CA 0.622 54.679 54.000 0.094 0.000 0.676 106 D CB -1.338 39.514 40.800 0.086 0.000 1.069 106 D HN 0.258 nan 8.370 nan 0.000 0.430 107 L N -0.299 120.992 121.223 0.114 0.000 2.399 107 L HA 0.478 4.844 4.340 0.044 0.000 0.265 107 L C 1.136 178.049 176.870 0.071 0.000 1.089 107 L CA -0.776 54.121 54.840 0.094 0.000 0.802 107 L CB 0.901 43.030 42.059 0.116 0.000 1.180 107 L HN -0.233 nan 8.230 nan 0.000 0.454 108 R N 1.890 122.427 120.500 0.061 0.000 2.668 108 R HA 0.693 5.060 4.340 0.044 0.000 0.279 108 R C -0.834 175.505 176.300 0.065 0.000 0.976 108 R CA -0.792 55.343 56.100 0.058 0.000 0.978 108 R CB 1.354 31.687 30.300 0.055 0.000 1.133 108 R HN 0.477 nan 8.270 nan 0.000 0.484 109 L N 1.220 122.483 121.223 0.067 0.000 2.334 109 L HA 0.484 4.850 4.340 0.044 0.000 0.273 109 L C -0.208 176.717 176.870 0.092 0.000 1.013 109 L CA -0.958 53.931 54.840 0.082 0.000 0.816 109 L CB 1.822 43.925 42.059 0.074 0.000 1.278 109 L HN 0.547 nan 8.230 nan 0.000 0.431 110 N N 0.677 119.450 118.700 0.122 0.000 2.310 110 N HA 0.144 4.911 4.740 0.044 0.000 0.292 110 N C -0.935 174.678 175.510 0.171 0.000 1.049 110 N CA -0.634 52.495 53.050 0.133 0.000 0.849 110 N CB 1.919 40.495 38.487 0.148 0.000 1.532 110 N HN 0.575 nan 8.380 nan 0.000 0.479 111 E N 2.848 123.134 120.200 0.144 0.000 2.465 111 E HA 0.001 4.377 4.350 0.044 0.000 0.260 111 E C -1.156 175.577 176.600 0.222 0.000 0.980 111 E CA 0.104 56.607 56.400 0.172 0.000 0.927 111 E CB 0.342 30.113 29.700 0.117 0.000 0.934 111 E HN 0.469 nan 8.360 nan 0.000 0.459 112 F N 4.543 124.580 119.950 0.144 0.000 2.361 112 F HA 0.235 4.788 4.527 0.044 0.000 0.364 112 F C -0.130 175.736 175.800 0.111 0.000 1.117 112 F CA -0.635 57.450 58.000 0.141 0.000 1.071 112 F CB 1.234 40.331 39.000 0.161 0.000 1.188 112 F HN 0.359 nan 8.300 nan 0.000 0.464 113 S N 4.683 120.301 115.700 -0.137 0.000 2.510 113 S HA 0.069 4.566 4.470 0.044 0.000 0.279 113 S C 0.958 175.560 174.600 0.004 0.000 1.284 113 S CA -0.505 57.670 58.200 -0.042 0.000 1.059 113 S CB 0.821 63.968 63.200 -0.088 0.000 0.901 113 S HN 0.817 nan 8.310 nan 0.000 0.491 114 Q N 2.374 122.219 119.800 0.076 0.000 2.311 114 Q HA 0.099 4.466 4.340 0.044 0.000 0.203 114 Q C 0.310 176.327 176.000 0.028 0.000 0.954 114 Q CA 0.866 56.700 55.803 0.052 0.000 0.885 114 Q CB 0.055 28.759 28.738 -0.057 0.000 0.963 114 Q HN 0.965 nan 8.270 nan 0.000 0.471 115 E N -1.035 119.165 120.200 -0.001 0.000 2.401 115 E HA 0.475 4.851 4.350 0.044 0.000 0.280 115 E C -1.450 175.123 176.600 -0.044 0.000 1.039 115 E CA -0.831 55.552 56.400 -0.028 0.000 0.814 115 E CB 1.022 30.716 29.700 -0.011 0.000 1.275 115 E HN -0.045 nan 8.360 nan 0.000 0.448 116 N N 0.512 119.167 118.700 -0.075 0.000 2.500 116 N HA 0.182 4.949 4.740 0.044 0.000 0.291 116 N C -0.602 174.834 175.510 -0.124 0.000 1.092 116 N CA -0.474 52.520 53.050 -0.092 0.000 0.890 116 N CB 1.351 39.767 38.487 -0.119 0.000 1.466 116 N HN 0.523 nan 8.380 nan 0.000 0.507 117 D N 1.956 122.297 120.400 -0.098 0.000 2.265 117 D HA -0.129 4.537 4.640 0.044 0.000 0.208 117 D C 0.451 176.631 176.300 -0.199 0.000 0.977 117 D CA 1.352 55.289 54.000 -0.106 0.000 0.871 117 D CB 0.074 40.833 40.800 -0.069 0.000 0.925 117 D HN 0.623 nan 8.370 nan 0.000 0.485 118 N N -0.048 118.506 118.700 -0.242 0.000 2.467 118 N HA 0.104 4.871 4.740 0.044 0.000 0.184 118 N C 0.644 175.785 175.510 -0.614 0.000 1.106 118 N CA 0.019 52.843 53.050 -0.377 0.000 0.892 118 N CB 0.391 38.719 38.487 -0.264 0.000 0.969 118 N HN 0.058 nan 8.380 nan 0.000 0.454 119 A N 0.261 122.790 122.820 -0.484 0.000 2.262 119 A HA 0.433 4.779 4.320 0.044 0.000 0.273 119 A C -0.726 176.504 177.584 -0.589 0.000 1.202 119 A CA -0.094 51.649 52.037 -0.489 0.000 0.811 119 A CB 0.218 19.081 19.000 -0.229 0.000 1.159 119 A HN 0.266 nan 8.150 nan 0.000 0.505 120 W N -2.782 118.444 121.300 -0.124 0.000 2.799 120 W HA 0.615 5.301 4.660 0.043 0.000 0.349 120 W C -1.256 175.182 176.519 -0.136 0.000 1.100 120 W CA -0.192 57.102 57.345 -0.084 0.000 1.174 120 W CB 1.149 30.560 29.460 -0.083 0.000 1.427 120 W HN 0.527 nan 8.180 nan 0.000 0.547 121 Y N 1.473 121.981 120.300 0.347 0.000 2.341 121 Y HA 0.450 5.026 4.550 0.043 0.000 0.338 121 Y C -0.862 175.190 175.900 0.255 0.000 0.965 121 Y CA -0.973 57.255 58.100 0.214 0.000 1.108 121 Y CB 1.407 39.953 38.460 0.144 0.000 1.180 121 Y HN 0.232 nan 8.280 nan 0.000 0.458 122 F N 6.106 126.162 119.950 0.176 0.000 2.691 122 F HA 0.550 5.102 4.527 0.042 0.000 0.371 122 F C -1.738 174.087 175.800 0.041 0.000 1.159 122 F CA -0.859 57.179 58.000 0.064 0.000 1.174 122 F CB 0.231 39.219 39.000 -0.020 0.000 1.419 122 F HN 0.222 nan 8.300 nan 0.000 0.514 123 I N 5.201 125.636 120.570 -0.224 0.000 2.465 123 I HA 0.265 4.462 4.170 0.044 0.000 0.291 123 I C 0.229 176.140 176.117 -0.343 0.000 1.014 123 I CA -0.924 60.260 61.300 -0.194 0.000 1.093 123 I CB 1.828 39.801 38.000 -0.045 0.000 1.267 123 I HN 0.487 nan 8.210 nan 0.000 0.431 124 K N 4.544 124.765 120.400 -0.299 0.000 3.071 124 K HA -0.265 4.082 4.320 0.044 0.000 0.262 124 K C 0.126 176.515 176.600 -0.353 0.000 0.977 124 K CA 0.915 57.034 56.287 -0.280 0.000 0.721 124 K CB -1.253 31.087 32.500 -0.266 0.000 1.293 124 K HN 0.847 nan 8.250 nan 0.000 0.475 125 N N -1.342 117.016 118.700 -0.570 0.000 2.753 125 N HA -0.213 4.553 4.740 0.044 0.000 0.251 125 N C -0.502 174.649 175.510 -0.597 0.000 1.097 125 N CA 1.161 53.816 53.050 -0.658 0.000 0.786 125 N CB -0.712 37.631 38.487 -0.241 0.000 1.137 125 N HN 0.401 nan 8.380 nan 0.000 0.566 126 I N 0.724 120.941 120.570 -0.589 0.000 2.336 126 I HA 0.254 4.451 4.170 0.044 0.000 0.292 126 I C 0.493 176.461 176.117 -0.248 0.000 0.991 126 I CA -0.545 60.570 61.300 -0.308 0.000 1.227 126 I CB 1.574 39.451 38.000 -0.204 0.000 1.366 126 I HN 0.070 nan 8.210 nan 0.000 0.466 127 R N 6.648 127.136 120.500 -0.020 0.000 2.310 127 R HA 0.477 4.843 4.340 0.044 0.000 0.324 127 R C -1.232 175.223 176.300 0.258 0.000 0.955 127 R CA -0.617 55.600 56.100 0.195 0.000 0.830 127 R CB 0.811 31.237 30.300 0.210 0.000 1.154 127 R HN 0.480 nan 8.270 nan 0.000 0.458 128 K N 3.090 123.724 120.400 0.390 0.000 2.508 128 K HA 0.340 4.687 4.320 0.044 0.000 0.260 128 K C -0.880 176.002 176.600 0.470 0.000 0.949 128 K CA -1.062 55.455 56.287 0.383 0.000 0.834 128 K CB 1.906 34.533 32.500 0.211 0.000 1.365 128 K HN 0.394 nan 8.250 nan 0.000 0.437 129 K N 1.253 121.794 120.400 0.234 0.000 2.295 129 K HA 0.095 4.441 4.320 0.044 0.000 0.270 129 K C 1.308 177.962 176.600 0.089 0.000 1.011 129 K CA -0.028 56.204 56.287 -0.090 0.000 0.953 129 K CB 0.918 33.286 32.500 -0.221 0.000 0.956 129 K HN 0.270 nan 8.250 nan 0.000 0.477 130 V N 2.501 122.418 119.914 0.005 0.000 2.392 130 V HA -0.241 3.906 4.120 0.044 0.000 0.249 130 V C 2.235 178.410 176.094 0.135 0.000 1.059 130 V CA 2.455 64.850 62.300 0.157 0.000 1.051 130 V CB -0.695 31.086 31.823 -0.069 0.000 0.658 130 V HN 1.020 nan 8.190 nan 0.000 0.455 131 G N -0.486 108.320 108.800 0.010 0.000 2.422 131 G HA2 -0.227 3.759 3.960 0.044 0.000 0.218 131 G HA3 -0.227 3.759 3.960 0.044 0.000 0.218 131 G C 1.432 176.350 174.900 0.029 0.000 1.146 131 G CA 0.885 45.989 45.100 0.007 0.000 0.769 131 G HN 0.596 nan 8.290 nan 0.000 0.547 132 E N -0.002 120.219 120.200 0.035 0.000 2.051 132 E HA -0.082 4.294 4.350 0.044 0.000 0.192 132 E C 2.700 179.322 176.600 0.037 0.000 0.991 132 E CA 1.014 57.437 56.400 0.038 0.000 0.799 132 E CB -0.190 29.542 29.700 0.053 0.000 0.748 132 E HN 0.297 nan 8.360 nan 0.000 0.449 133 V N 1.717 121.664 119.914 0.054 0.000 2.407 133 V HA -0.250 3.896 4.120 0.044 0.000 0.248 133 V C 2.090 178.183 176.094 -0.002 0.000 1.055 133 V CA 1.681 63.967 62.300 -0.024 0.000 1.049 133 V CB -0.411 31.292 31.823 -0.201 0.000 0.662 133 V HN 0.190 nan 8.190 nan 0.000 0.455 134 K N 0.057 120.489 120.400 0.055 0.000 2.097 134 K HA -0.175 4.172 4.320 0.044 0.000 0.206 134 K C 2.213 178.827 176.600 0.024 0.000 1.049 134 K CA 1.409 57.724 56.287 0.047 0.000 0.933 134 K CB -0.167 32.368 32.500 0.058 0.000 0.717 134 K HN 0.443 nan 8.250 nan 0.000 0.442 135 K N 0.024 120.436 120.400 0.020 0.000 2.167 135 K HA -0.069 4.278 4.320 0.044 0.000 0.203 135 K C 0.288 176.893 176.600 0.009 0.000 1.052 135 K CA 0.823 57.119 56.287 0.014 0.000 0.956 135 K CB 0.202 32.710 32.500 0.013 0.000 0.735 135 K HN -0.004 nan 8.250 nan 0.000 0.451 136 D N -0.319 120.084 120.400 0.005 0.000 2.405 136 D HA 0.174 4.841 4.640 0.044 0.000 0.264 136 D C -2.348 173.945 176.300 -0.011 0.000 1.240 136 D CA -2.303 51.697 54.000 0.000 0.000 0.893 136 D CB 1.390 42.192 40.800 0.004 0.000 1.198 136 D HN -0.240 nan 8.370 nan 0.000 0.514 137 P HA -0.038 nan 4.420 nan 0.000 0.218 137 P C 1.422 178.723 177.300 0.001 0.000 1.146 137 P CA 0.973 64.059 63.100 -0.024 0.000 0.813 137 P CB 0.321 32.014 31.700 -0.012 0.000 0.778 138 G N -0.793 108.012 108.800 0.009 0.000 2.559 138 G HA2 -0.206 3.781 3.960 0.044 0.000 0.216 138 G HA3 -0.206 3.781 3.960 0.044 0.000 0.216 138 G C 1.282 176.181 174.900 -0.001 0.000 1.126 138 G CA 0.146 45.257 45.100 0.017 0.000 0.778 138 G HN 0.168 nan 8.290 nan 0.000 0.543 139 L N 0.292 121.506 121.223 -0.015 0.000 2.187 139 L HA 0.059 4.426 4.340 0.044 0.000 0.213 139 L C 2.526 179.363 176.870 -0.055 0.000 1.100 139 L CA 1.125 55.948 54.840 -0.028 0.000 0.765 139 L CB -0.335 41.710 42.059 -0.023 0.000 0.904 139 L HN 0.231 nan 8.230 nan 0.000 0.437 140 L N -0.696 120.494 121.223 -0.056 0.000 2.612 140 L HA 0.002 4.368 4.340 0.044 0.000 0.230 140 L C 0.682 177.412 176.870 -0.233 0.000 1.140 140 L CA -0.036 54.735 54.840 -0.115 0.000 0.896 140 L CB -0.367 41.689 42.059 -0.006 0.000 1.065 140 L HN 0.240 nan 8.230 nan 0.000 0.447 141 K N -0.309 120.020 120.400 -0.119 0.000 3.071 141 K HA -0.235 4.112 4.320 0.044 0.000 0.262 141 K C -0.775 175.727 176.600 -0.163 0.000 0.977 141 K CA 0.648 56.859 56.287 -0.125 0.000 0.721 141 K CB -2.005 30.407 32.500 -0.147 0.000 1.293 141 K HN 0.226 nan 8.250 nan 0.000 0.475 142 Y N 0.631 120.908 120.300 -0.038 0.000 2.335 142 Y HA 0.154 4.729 4.550 0.043 0.000 0.331 142 Y C -1.627 174.264 175.900 -0.015 0.000 1.094 142 Y CA -2.331 55.755 58.100 -0.023 0.000 1.253 142 Y CB 0.543 38.994 38.460 -0.016 0.000 1.203 142 Y HN -0.007 nan 8.280 nan 0.000 0.508 143 P HA 0.034 nan 4.420 nan 0.000 0.266 143 P C -0.861 176.483 177.300 0.075 0.000 1.419 143 P CA 0.009 63.149 63.100 0.067 0.000 1.112 143 P CB -0.190 31.535 31.700 0.042 0.000 1.438 144 V N 0.546 120.499 119.914 0.065 0.000 3.093 144 V HA 0.526 4.672 4.120 0.044 0.000 0.320 144 V C 0.284 176.393 176.094 0.026 0.000 1.093 144 V CA -1.222 61.105 62.300 0.046 0.000 1.016 144 V CB 1.723 33.572 31.823 0.045 0.000 1.096 144 V HN 0.119 nan 8.190 nan 0.000 0.452 145 K N 1.824 122.234 120.400 0.016 0.000 2.168 145 K HA 0.318 4.664 4.320 0.044 0.000 0.258 145 K C -1.867 174.738 176.600 0.009 0.000 1.010 145 K CA -1.201 55.091 56.287 0.009 0.000 0.929 145 K CB 0.661 33.162 32.500 0.002 0.000 0.998 145 K HN 0.439 nan 8.250 nan 0.000 0.479 146 P HA -0.230 nan 4.420 nan 0.000 0.216 146 P C 1.107 178.410 177.300 0.006 0.000 1.150 146 P CA 1.487 64.591 63.100 0.006 0.000 0.843 146 P CB 0.148 31.851 31.700 0.004 0.000 0.787 147 S N -1.071 114.632 115.700 0.004 0.000 2.481 147 S HA -0.092 4.405 4.470 0.044 0.000 0.231 147 S C 1.616 176.220 174.600 0.007 0.000 0.996 147 S CA 0.874 59.076 58.200 0.004 0.000 0.942 147 S CB -0.868 62.332 63.200 0.001 0.000 0.768 147 S HN 0.280 nan 8.310 nan 0.000 0.520 148 E N 1.307 121.512 120.200 0.008 0.000 2.415 148 E HA 0.373 4.749 4.350 0.044 0.000 0.197 148 E C 0.777 177.385 176.600 0.014 0.000 1.007 148 E CA 0.137 56.543 56.400 0.010 0.000 0.890 148 E CB 0.100 29.806 29.700 0.010 0.000 0.891 148 E HN 0.637 nan 8.360 nan 0.000 0.496 149 A N 0.865 123.693 122.820 0.014 0.000 2.561 149 A HA 0.311 4.658 4.320 0.044 0.000 0.234 149 A C 1.394 178.986 177.584 0.014 0.000 1.055 149 A CA 0.898 52.945 52.037 0.016 0.000 0.756 149 A CB -0.379 18.629 19.000 0.013 0.000 0.986 149 A HN 0.374 nan 8.150 nan 0.000 0.505 150 G N 1.286 110.094 108.800 0.014 0.000 2.184 150 G HA2 -0.246 3.740 3.960 0.044 0.000 0.264 150 G HA3 -0.246 3.740 3.960 0.044 0.000 0.264 150 G C 0.201 175.108 174.900 0.011 0.000 0.975 150 G CA 0.925 46.032 45.100 0.012 0.000 0.642 150 G HN 0.889 nan 8.290 nan 0.000 0.536 151 K N 1.063 121.471 120.400 0.012 0.000 2.138 151 K HA 0.588 4.935 4.320 0.044 0.000 0.263 151 K C 0.833 177.438 176.600 0.007 0.000 0.965 151 K CA 0.050 56.345 56.287 0.013 0.000 0.868 151 K CB 1.621 34.132 32.500 0.018 0.000 1.083 151 K HN 0.372 nan 8.250 nan 0.000 0.443 152 S N 0.974 116.680 115.700 0.010 0.000 2.608 152 S HA 0.188 4.685 4.470 0.044 0.000 0.261 152 S C 1.300 175.904 174.600 0.007 0.000 1.314 152 S CA -0.145 58.057 58.200 0.004 0.000 0.992 152 S CB 1.332 64.542 63.200 0.017 0.000 0.935 152 S HN 0.681 nan 8.310 nan 0.000 0.564 153 A N 1.656 124.471 122.820 -0.008 0.000 1.908 153 A HA 0.105 4.451 4.320 0.044 0.000 0.218 153 A C 2.243 179.866 177.584 0.066 0.000 1.181 153 A CA 1.821 53.859 52.037 0.002 0.000 0.627 153 A CB -1.913 17.075 19.000 -0.020 0.000 0.818 153 A HN 1.190 nan 8.150 nan 0.000 0.445 154 G N -1.167 107.664 108.800 0.052 0.000 2.440 154 G HA2 -0.259 3.727 3.960 0.044 0.000 0.218 154 G HA3 -0.259 3.727 3.960 0.044 0.000 0.218 154 G C 1.640 176.604 174.900 0.107 0.000 1.154 154 G CA 1.067 46.205 45.100 0.063 0.000 0.767 154 G HN 0.621 nan 8.290 nan 0.000 0.552 155 Q N -0.449 119.395 119.800 0.073 0.000 2.050 155 Q HA 0.022 4.389 4.340 0.044 0.000 0.202 155 Q C 2.731 178.786 176.000 0.092 0.000 0.980 155 Q CA 0.966 56.812 55.803 0.072 0.000 0.840 155 Q CB -0.241 28.524 28.738 0.044 0.000 0.898 155 Q HN 0.470 nan 8.270 nan 0.000 0.424 156 L N -0.653 120.621 121.223 0.085 0.000 2.042 156 L HA -0.244 4.122 4.340 0.044 0.000 0.210 156 L C 2.330 179.271 176.870 0.118 0.000 1.076 156 L CA 1.418 56.304 54.840 0.078 0.000 0.749 156 L CB -0.565 41.527 42.059 0.056 0.000 0.893 156 L HN 0.316 nan 8.230 nan 0.000 0.432 157 Y N 0.766 121.104 120.300 0.062 0.000 2.133 157 Y HA -0.297 4.279 4.550 0.043 0.000 0.287 157 Y C 2.745 178.717 175.900 0.120 0.000 1.134 157 Y CA 2.052 60.215 58.100 0.105 0.000 1.133 157 Y CB -0.085 38.436 38.460 0.102 0.000 0.987 157 Y HN 0.167 nan 8.280 nan 0.000 0.502 158 E N 0.141 120.526 120.200 0.309 0.000 2.085 158 E HA -0.281 4.096 4.350 0.044 0.000 0.194 158 E C 1.977 178.639 176.600 0.104 0.000 0.994 158 E CA 1.797 58.334 56.400 0.229 0.000 0.801 158 E CB -0.177 29.646 29.700 0.205 0.000 0.743 158 E HN 0.653 nan 8.360 nan 0.000 0.453 159 E N -0.076 120.170 120.200 0.077 0.000 2.153 159 E HA -0.148 4.229 4.350 0.044 0.000 0.194 159 E C 2.113 178.724 176.600 0.018 0.000 0.988 159 E CA 1.144 57.571 56.400 0.045 0.000 0.811 159 E CB -0.014 29.708 29.700 0.037 0.000 0.746 159 E HN 0.302 nan 8.360 nan 0.000 0.466 160 S N 0.372 116.067 115.700 -0.008 0.000 2.474 160 S HA -0.083 4.413 4.470 0.044 0.000 0.235 160 S C 1.687 176.330 174.600 0.073 0.000 0.997 160 S CA 0.433 58.621 58.200 -0.019 0.000 0.949 160 S CB -0.037 63.126 63.200 -0.063 0.000 0.766 160 S HN 0.073 nan 8.310 nan 0.000 0.517 161 L N 2.200 123.444 121.223 0.034 0.000 2.610 161 L HA 0.291 4.657 4.340 0.044 0.000 0.232 161 L C 2.435 179.334 176.870 0.048 0.000 1.149 161 L CA 0.507 55.372 54.840 0.041 0.000 0.872 161 L CB -1.524 40.535 42.059 -0.000 0.000 0.992 161 L HN 0.458 nan 8.230 nan 0.000 0.447 162 G N -0.109 108.719 108.800 0.047 0.000 2.574 162 G HA2 -0.419 3.568 3.960 0.044 0.000 0.220 162 G HA3 -0.419 3.568 3.960 0.044 0.000 0.220 162 G C 1.777 176.702 174.900 0.042 0.000 1.173 162 G CA 1.208 46.329 45.100 0.035 0.000 0.772 162 G HN 0.324 nan 8.290 nan 0.000 0.585 163 K N 0.277 120.716 120.400 0.065 0.000 2.063 163 K HA -0.040 4.307 4.320 0.044 0.000 0.208 163 K C 2.536 179.191 176.600 0.092 0.000 1.048 163 K CA 1.547 57.886 56.287 0.088 0.000 0.928 163 K CB -0.709 31.847 32.500 0.093 0.000 0.713 163 K HN 0.217 nan 8.250 nan 0.000 0.442 164 V N -0.042 119.867 119.914 -0.008 0.000 2.358 164 V HA -0.203 3.944 4.120 0.044 0.000 0.246 164 V C 2.298 178.372 176.094 -0.033 0.000 1.047 164 V CA 1.683 63.878 62.300 -0.175 0.000 1.035 164 V CB -0.368 31.182 31.823 -0.455 0.000 0.658 164 V HN 0.143 nan 8.190 nan 0.000 0.452 165 V N 0.056 119.957 119.914 -0.023 0.000 2.343 165 V HA -0.277 3.870 4.120 0.044 0.000 0.247 165 V C 2.513 178.617 176.094 0.017 0.000 1.051 165 V CA 2.285 64.580 62.300 -0.008 0.000 1.036 165 V CB -0.581 31.240 31.823 -0.002 0.000 0.654 165 V HN 0.667 nan 8.190 nan 0.000 0.451 166 E N -0.048 120.173 120.200 0.035 0.000 2.051 166 E HA -0.241 4.136 4.350 0.044 0.000 0.192 166 E C 2.238 178.877 176.600 0.064 0.000 0.991 166 E CA 1.255 57.681 56.400 0.043 0.000 0.799 166 E CB -0.017 29.712 29.700 0.049 0.000 0.748 166 E HN 0.565 nan 8.360 nan 0.000 0.449 167 E N 0.746 121.014 120.200 0.115 0.000 2.077 167 E HA -0.194 4.183 4.350 0.044 0.000 0.193 167 E C 2.218 178.899 176.600 0.135 0.000 0.989 167 E CA 0.608 57.112 56.400 0.173 0.000 0.800 167 E CB -0.371 29.529 29.700 0.333 0.000 0.746 167 E HN 0.252 nan 8.360 nan 0.000 0.452 168 L N 1.805 123.087 121.223 0.099 0.000 1.989 168 L HA -0.188 4.178 4.340 0.044 0.000 0.211 168 L C 1.982 178.861 176.870 0.015 0.000 1.071 168 L CA 1.952 56.822 54.840 0.051 0.000 0.749 168 L CB -0.371 41.685 42.059 -0.006 0.000 0.890 168 L HN -0.071 nan 8.230 nan 0.000 0.431 169 K N -0.889 119.515 120.400 0.007 0.000 2.152 169 K HA -0.192 4.154 4.320 0.044 0.000 0.206 169 K C 2.311 178.903 176.600 -0.014 0.000 1.048 169 K CA 1.508 57.790 56.287 -0.008 0.000 0.933 169 K CB -0.206 32.292 32.500 -0.005 0.000 0.721 169 K HN 0.292 nan 8.250 nan 0.000 0.447 170 R N 0.376 120.872 120.500 -0.007 0.000 2.153 170 R HA -0.069 4.297 4.340 0.044 0.000 0.218 170 R C 1.632 177.885 176.300 -0.078 0.000 1.072 170 R CA 1.597 57.677 56.100 -0.032 0.000 0.990 170 R CB 0.233 30.522 30.300 -0.018 0.000 0.889 170 R HN 0.379 nan 8.270 nan 0.000 0.452 171 T N -2.621 111.892 114.554 -0.068 0.000 1.832 171 T HA 0.258 4.634 4.350 0.044 0.000 0.171 171 T C -0.520 174.156 174.700 -0.040 0.000 0.718 171 T CA -0.313 61.714 62.100 -0.123 0.000 0.980 171 T CB 0.219 68.919 68.868 -0.280 0.000 3.173 171 T HN 0.245 nan 8.240 nan 0.000 0.399 172 N N -1.521 117.194 118.700 0.026 0.000 3.116 172 N HA 0.351 5.117 4.740 0.044 0.000 0.244 172 N C 0.419 175.955 175.510 0.044 0.000 1.485 172 N CA -0.339 52.724 53.050 0.021 0.000 0.884 172 N CB 0.570 39.064 38.487 0.012 0.000 1.415 172 N HN 0.494 nan 8.380 nan 0.000 0.524 173 c N -0.069 118.517 118.600 -0.024 0.000 2.432 173 c HA -0.123 4.473 4.570 0.044 0.000 0.277 173 c C 2.856 176.919 174.090 -0.045 0.000 1.249 173 c CA 1.921 58.202 56.329 -0.081 0.000 1.725 173 c CB -1.535 40.883 42.510 -0.154 0.000 2.028 173 c HN 0.881 nan 8.230 nan 0.000 0.477 174 S N -0.128 115.567 115.700 -0.007 0.000 2.383 174 S HA -0.284 4.213 4.470 0.044 0.000 0.229 174 S C 1.750 176.372 174.600 0.038 0.000 1.030 174 S CA 1.884 60.089 58.200 0.010 0.000 1.002 174 S CB -0.974 62.245 63.200 0.032 0.000 0.829 174 S HN 0.700 nan 8.310 nan 0.000 0.467 175 Y N 3.384 123.670 120.300 -0.025 0.000 2.163 175 Y HA -0.024 4.554 4.550 0.046 0.000 0.288 175 Y C 2.139 178.034 175.900 -0.008 0.000 1.136 175 Y CA 1.662 59.754 58.100 -0.014 0.000 1.147 175 Y CB -0.423 38.032 38.460 -0.008 0.000 0.987 175 Y HN 0.445 nan 8.280 nan 0.000 0.509 176 I N -2.231 118.374 120.570 0.058 0.000 2.439 176 I HA -0.161 4.036 4.170 0.044 0.000 0.251 176 I C 1.946 178.088 176.117 0.042 0.000 1.139 176 I CA 1.290 62.640 61.300 0.084 0.000 1.438 176 I CB -0.696 37.440 38.000 0.225 0.000 1.085 176 I HN 0.169 nan 8.210 nan 0.000 0.427 177 L N 1.118 122.314 121.223 -0.045 0.000 2.083 177 L HA -0.171 4.196 4.340 0.044 0.000 0.209 177 L C 2.323 179.146 176.870 -0.079 0.000 1.083 177 L CA 1.684 56.476 54.840 -0.080 0.000 0.752 177 L CB -0.813 41.168 42.059 -0.129 0.000 0.899 177 L HN 0.335 nan 8.230 nan 0.000 0.433 178 N N -0.038 118.591 118.700 -0.118 0.000 2.171 178 N HA -0.177 4.590 4.740 0.044 0.000 0.184 178 N C 1.769 177.145 175.510 -0.224 0.000 1.021 178 N CA 1.014 53.983 53.050 -0.134 0.000 0.854 178 N CB 0.015 38.420 38.487 -0.138 0.000 0.994 178 N HN 0.161 nan 8.380 nan 0.000 0.426 179 K N -0.490 119.679 120.400 -0.384 0.000 2.026 179 K HA -0.131 4.216 4.320 0.044 0.000 0.208 179 K C 1.076 177.451 176.600 -0.375 0.000 1.048 179 K CA 1.298 57.288 56.287 -0.495 0.000 0.929 179 K CB -0.213 31.804 32.500 -0.806 0.000 0.713 179 K HN 0.293 nan 8.250 nan 0.000 0.439 180 Y N 0.330 120.637 120.300 0.012 0.000 2.578 180 Y HA -0.047 4.529 4.550 0.043 0.000 0.297 180 Y C 1.465 177.473 175.900 0.179 0.000 1.176 180 Y CA 0.594 58.777 58.100 0.139 0.000 1.315 180 Y CB 0.108 38.617 38.460 0.081 0.000 1.031 180 Y HN 0.294 nan 8.280 nan 0.000 0.524 181 D N -0.459 120.005 120.400 0.107 0.000 2.347 181 D HA -0.106 4.561 4.640 0.044 0.000 0.213 181 D C 1.933 178.166 176.300 -0.112 0.000 0.985 181 D CA 1.301 55.360 54.000 0.098 0.000 0.879 181 D CB 0.023 40.880 40.800 0.095 0.000 0.919 181 D HN 0.258 nan 8.370 nan 0.000 0.526 182 T N -2.823 111.577 114.554 -0.257 0.000 3.129 182 T HA 0.079 4.456 4.350 0.044 0.000 0.251 182 T C 0.211 174.770 174.700 -0.233 0.000 1.117 182 T CA -0.125 61.561 62.100 -0.691 0.000 1.034 182 T CB -0.386 68.088 68.868 -0.657 0.000 0.968 182 T HN -0.057 nan 8.240 nan 0.000 0.526 183 Y N 2.078 122.373 120.300 -0.010 0.000 2.487 183 Y HA 0.588 5.164 4.550 0.043 0.000 0.337 183 Y C 0.731 176.753 175.900 0.203 0.000 1.076 183 Y CA -1.298 56.876 58.100 0.123 0.000 1.115 183 Y CB 1.893 40.482 38.460 0.214 0.000 1.235 183 Y HN 0.189 nan 8.280 nan 0.000 0.468 184 S N -0.921 114.988 115.700 0.348 0.000 2.654 184 S HA 0.260 4.756 4.470 0.044 0.000 0.283 184 S C 0.731 175.528 174.600 0.328 0.000 1.180 184 S CA -0.409 57.989 58.200 0.329 0.000 1.021 184 S CB 1.440 64.802 63.200 0.270 0.000 1.018 184 S HN 0.698 nan 8.310 nan 0.000 0.532 185 T N 1.457 116.242 114.554 0.385 0.000 2.652 185 T HA -0.159 4.218 4.350 0.044 0.000 0.267 185 T C 1.709 176.487 174.700 0.131 0.000 1.039 185 T CA 1.916 64.257 62.100 0.401 0.000 1.153 185 T CB -0.485 68.749 68.868 0.611 0.000 0.863 185 T HN 0.771 nan 8.240 nan 0.000 0.428 186 K N 0.891 121.300 120.400 0.016 0.000 2.057 186 K HA -0.161 4.186 4.320 0.044 0.000 0.207 186 K C 2.384 178.883 176.600 -0.167 0.000 1.049 186 K CA 1.611 57.672 56.287 -0.376 0.000 0.931 186 K CB -0.107 32.065 32.500 -0.547 0.000 0.714 186 K HN 0.453 nan 8.250 nan 0.000 0.440 187 E N -0.500 119.693 120.200 -0.011 0.000 2.085 187 E HA -0.262 4.115 4.350 0.044 0.000 0.194 187 E C 1.913 178.541 176.600 0.048 0.000 0.994 187 E CA 1.336 57.767 56.400 0.051 0.000 0.801 187 E CB -0.265 29.523 29.700 0.147 0.000 0.743 187 E HN 0.464 nan 8.360 nan 0.000 0.453 188 Y N 1.216 121.441 120.300 -0.125 0.000 2.114 188 Y HA -0.202 4.374 4.550 0.043 0.000 0.284 188 Y C 2.023 177.692 175.900 -0.386 0.000 1.143 188 Y CA 1.822 59.673 58.100 -0.415 0.000 1.135 188 Y CB -0.369 37.382 38.460 -1.181 0.000 0.980 188 Y HN 0.015 nan 8.280 nan 0.000 0.499 189 L N -0.221 120.793 121.223 -0.349 0.000 2.043 189 L HA -0.287 4.079 4.340 0.044 0.000 0.212 189 L C 2.394 179.079 176.870 -0.308 0.000 1.075 189 L CA 1.826 56.487 54.840 -0.299 0.000 0.752 189 L CB -0.599 41.385 42.059 -0.126 0.000 0.891 189 L HN 0.349 nan 8.230 nan 0.000 0.432 190 I N -0.783 119.641 120.570 -0.243 0.000 2.296 190 I HA -0.205 3.992 4.170 0.044 0.000 0.242 190 I C 2.512 178.522 176.117 -0.178 0.000 1.087 190 I CA 1.088 62.282 61.300 -0.177 0.000 1.393 190 I CB -0.199 37.726 38.000 -0.125 0.000 1.093 190 I HN 0.130 nan 8.210 nan 0.000 0.421 191 K N 0.384 120.685 120.400 -0.164 0.000 2.057 191 K HA -0.116 4.231 4.320 0.044 0.000 0.206 191 K C 1.899 178.382 176.600 -0.195 0.000 1.050 191 K CA 1.095 57.316 56.287 -0.111 0.000 0.935 191 K CB 0.076 32.590 32.500 0.024 0.000 0.715 191 K HN 0.238 nan 8.250 nan 0.000 0.439 192 E N -0.732 119.203 120.200 -0.441 0.000 2.244 192 E HA 0.025 4.402 4.350 0.044 0.000 0.196 192 E C 2.070 178.332 176.600 -0.563 0.000 0.939 192 E CA 0.607 56.681 56.400 -0.545 0.000 0.884 192 E CB 0.061 29.262 29.700 -0.832 0.000 0.850 192 E HN 0.343 nan 8.360 nan 0.000 0.481 193 G N 1.123 109.491 108.800 -0.719 0.000 2.511 193 G HA2 -0.173 3.814 3.960 0.044 0.000 0.217 193 G HA3 -0.173 3.814 3.960 0.044 0.000 0.217 193 G C 0.026 174.791 174.900 -0.225 0.000 1.133 193 G CA 0.581 45.436 45.100 -0.408 0.000 0.792 193 G HN 0.098 nan 8.290 nan 0.000 0.539 194 D N -1.122 119.149 120.400 -0.215 0.000 3.012 194 D HA -0.138 4.528 4.640 0.044 0.000 0.222 194 D C 0.577 176.820 176.300 -0.095 0.000 1.167 194 D CA 0.393 54.315 54.000 -0.129 0.000 0.854 194 D CB -1.465 39.277 40.800 -0.097 0.000 1.107 194 D HN 0.327 nan 8.370 nan 0.000 0.421 195 L N 0.458 121.619 121.223 -0.104 0.000 2.461 195 L HA 0.164 4.531 4.340 0.044 0.000 0.272 195 L C 1.398 178.240 176.870 -0.048 0.000 1.197 195 L CA -0.045 54.757 54.840 -0.063 0.000 0.836 195 L CB 0.574 42.600 42.059 -0.056 0.000 1.105 195 L HN 0.126 nan 8.230 nan 0.000 0.477 196 S N 1.687 117.373 115.700 -0.024 0.000 2.593 196 S HA 0.192 4.688 4.470 0.044 0.000 0.269 196 S C -1.882 172.717 174.600 -0.002 0.000 1.334 196 S CA -1.122 57.072 58.200 -0.010 0.000 1.015 196 S CB 1.014 64.217 63.200 0.005 0.000 0.912 196 S HN 0.415 nan 8.310 nan 0.000 0.541 197 P HA 0.003 nan 4.420 nan 0.000 0.218 197 P C 1.669 179.003 177.300 0.056 0.000 1.148 197 P CA 1.568 64.680 63.100 0.019 0.000 0.822 197 P CB -0.411 31.302 31.700 0.022 0.000 0.784 198 G N -0.031 108.811 108.800 0.069 0.000 2.402 198 G HA2 -0.219 3.768 3.960 0.044 0.000 0.216 198 G HA3 -0.219 3.768 3.960 0.044 0.000 0.216 198 G C 1.633 176.582 174.900 0.082 0.000 1.162 198 G CA 0.843 46.020 45.100 0.128 0.000 0.777 198 G HN 0.307 nan 8.290 nan 0.000 0.539 199 A N 0.158 122.996 122.820 0.030 0.000 1.930 199 A HA 0.101 4.448 4.320 0.044 0.000 0.217 199 A C 2.577 180.159 177.584 -0.003 0.000 1.175 199 A CA 1.738 53.767 52.037 -0.013 0.000 0.627 199 A CB -0.560 18.440 19.000 -0.000 0.000 0.815 199 A HN 0.247 nan 8.150 nan 0.000 0.443 200 V N 0.556 120.489 119.914 0.032 0.000 2.427 200 V HA -0.221 3.925 4.120 0.044 0.000 0.248 200 V C 2.103 178.300 176.094 0.172 0.000 1.051 200 V CA 2.234 64.583 62.300 0.082 0.000 1.048 200 V CB -0.777 31.034 31.823 -0.021 0.000 0.666 200 V HN 0.472 nan 8.190 nan 0.000 0.456 201 D N -0.611 119.863 120.400 0.123 0.000 2.144 201 D HA -0.175 4.491 4.640 0.044 0.000 0.199 201 D C 2.046 178.339 176.300 -0.012 0.000 0.984 201 D CA 1.329 55.432 54.000 0.172 0.000 0.834 201 D CB -0.216 40.748 40.800 0.272 0.000 0.955 201 D HN 0.354 nan 8.370 nan 0.000 0.465 202 M N 0.019 119.380 119.600 -0.398 0.000 2.099 202 M HA -0.124 4.383 4.480 0.044 0.000 0.262 202 M C 2.017 178.142 176.300 -0.293 0.000 1.067 202 M CA 1.226 55.988 55.300 -0.897 0.000 1.124 202 M CB 0.007 32.011 32.600 -0.994 0.000 1.353 202 M HN -0.057 nan 8.290 nan 0.000 0.410 203 I N -0.145 120.382 120.570 -0.073 0.000 2.226 203 I HA -0.212 3.985 4.170 0.044 0.000 0.245 203 I C 2.518 178.660 176.117 0.042 0.000 1.100 203 I CA 1.417 62.755 61.300 0.064 0.000 1.374 203 I CB -1.004 37.141 38.000 0.242 0.000 1.057 203 I HN 0.451 nan 8.210 nan 0.000 0.413 204 G N 0.509 109.358 108.800 0.081 0.000 2.421 204 G HA2 -0.248 3.738 3.960 0.044 0.000 0.216 204 G HA3 -0.248 3.738 3.960 0.044 0.000 0.216 204 G C 1.238 176.110 174.900 -0.047 0.000 1.171 204 G CA 1.045 46.064 45.100 -0.135 0.000 0.775 204 G HN 0.278 nan 8.290 nan 0.000 0.543 205 D N 0.495 120.917 120.400 0.037 0.000 2.084 205 D HA -0.049 4.617 4.640 0.044 0.000 0.196 205 D C 2.667 179.045 176.300 0.130 0.000 0.985 205 D CA 0.703 54.752 54.000 0.082 0.000 0.826 205 D CB -0.341 40.558 40.800 0.165 0.000 0.978 205 D HN 0.323 nan 8.370 nan 0.000 0.456 206 L N -0.228 121.066 121.223 0.119 0.000 2.270 206 L HA 0.084 4.451 4.340 0.044 0.000 0.210 206 L C 1.821 178.816 176.870 0.208 0.000 1.104 206 L CA 0.429 55.401 54.840 0.220 0.000 0.804 206 L CB -0.075 42.086 42.059 0.170 0.000 0.937 206 L HN -0.031 nan 8.230 nan 0.000 0.450 207 L N -0.427 120.840 121.223 0.073 0.000 2.700 207 L HA 0.152 4.519 4.340 0.044 0.000 0.234 207 L C 0.401 177.187 176.870 -0.140 0.000 1.156 207 L CA 0.004 54.818 54.840 -0.045 0.000 0.946 207 L CB -0.483 41.511 42.059 -0.107 0.000 1.216 207 L HN 0.414 nan 8.230 nan 0.000 0.493 208 N N 0.886 119.585 118.700 -0.001 0.000 2.754 208 N HA -0.192 4.574 4.740 0.044 0.000 0.248 208 N C 0.845 176.227 175.510 -0.213 0.000 1.093 208 N CA 0.233 53.234 53.050 -0.082 0.000 0.699 208 N CB -0.014 38.202 38.487 -0.452 0.000 1.016 208 N HN 0.345 nan 8.380 nan 0.000 0.552 209 E N -0.178 119.864 120.200 -0.264 0.000 2.415 209 E HA -0.040 4.337 4.350 0.044 0.000 0.197 209 E C 1.086 177.216 176.600 -0.783 0.000 1.007 209 E CA 0.244 56.379 56.400 -0.441 0.000 0.890 209 E CB 0.016 29.480 29.700 -0.394 0.000 0.891 209 E HN 0.520 nan 8.360 nan 0.000 0.496 210 D N 0.921 120.968 120.400 -0.588 0.000 2.106 210 D HA -0.143 4.523 4.640 0.044 0.000 0.191 210 D C 1.604 177.785 176.300 -0.199 0.000 0.997 210 D CA 1.751 55.491 54.000 -0.433 0.000 0.834 210 D CB 0.187 40.925 40.800 -0.103 0.000 0.956 210 D HN -0.092 nan 8.370 nan 0.000 0.448 211 S N -1.282 114.345 115.700 -0.122 0.000 2.515 211 S HA 0.078 4.575 4.470 0.044 0.000 0.231 211 S C 1.533 176.037 174.600 -0.161 0.000 0.987 211 S CA 0.737 58.916 58.200 -0.034 0.000 0.936 211 S CB 0.497 63.701 63.200 0.007 0.000 0.766 211 S HN 0.430 nan 8.310 nan 0.000 0.528 212 G N -1.018 107.641 108.800 -0.235 0.000 3.651 212 G HA2 0.156 4.142 3.960 0.044 0.000 0.279 212 G HA3 0.156 4.142 3.960 0.044 0.000 0.279 212 G C 0.435 175.251 174.900 -0.140 0.000 1.024 212 G CA -0.257 44.683 45.100 -0.267 0.000 0.813 212 G HN 0.331 nan 8.290 nan 0.000 0.518 213 Y N 0.821 121.055 120.300 -0.110 0.000 2.483 213 Y HA -0.081 4.494 4.550 0.042 0.000 0.291 213 Y C 2.083 178.045 175.900 0.103 0.000 1.143 213 Y CA -0.004 58.123 58.100 0.045 0.000 1.289 213 Y CB -0.169 38.359 38.460 0.113 0.000 0.983 213 Y HN 0.613 nan 8.280 nan 0.000 0.556 214 Y N -1.791 118.687 120.300 0.297 0.000 2.458 214 Y HA 0.404 4.979 4.550 0.042 0.000 0.256 214 Y C 0.702 176.722 175.900 0.199 0.000 1.159 214 Y CA -1.114 57.111 58.100 0.209 0.000 1.261 214 Y CB -1.221 37.327 38.460 0.146 0.000 1.119 214 Y HN -0.167 nan 8.280 nan 0.000 0.524 215 V N -1.110 118.853 119.914 0.083 0.000 3.336 215 V HA 0.385 4.532 4.120 0.044 0.000 0.304 215 V C 0.783 177.062 176.094 0.308 0.000 1.073 215 V CA -0.876 61.546 62.300 0.203 0.000 1.074 215 V CB 1.130 33.035 31.823 0.137 0.000 1.161 215 V HN 0.282 nan 8.190 nan 0.000 0.460 216 S N 0.703 116.620 115.700 0.361 0.000 2.563 216 S HA 0.010 4.506 4.470 0.044 0.000 0.294 216 S C 0.527 175.378 174.600 0.418 0.000 1.279 216 S CA -0.067 58.382 58.200 0.415 0.000 1.069 216 S CB -0.586 62.944 63.200 0.550 0.000 0.828 216 S HN 0.874 nan 8.310 nan 0.000 0.497 217 F N 6.203 126.296 119.950 0.239 0.000 2.307 217 F HA -0.070 4.482 4.527 0.042 0.000 0.301 217 F C 1.543 177.396 175.800 0.087 0.000 1.076 217 F CA 1.012 59.111 58.000 0.165 0.000 1.383 217 F CB -0.295 38.785 39.000 0.132 0.000 1.055 217 F HN 0.655 nan 8.300 nan 0.000 0.526 218 I N 0.260 120.841 120.570 0.018 0.000 2.286 218 I HA -0.230 3.967 4.170 0.044 0.000 0.248 218 I C 2.281 178.251 176.117 -0.245 0.000 1.115 218 I CA 1.126 62.282 61.300 -0.241 0.000 1.392 218 I CB -1.277 36.446 38.000 -0.461 0.000 1.065 218 I HN 0.165 nan 8.210 nan 0.000 0.418 219 E N 0.270 120.503 120.200 0.055 0.000 2.077 219 E HA -0.185 4.191 4.350 0.044 0.000 0.193 219 E C 2.323 178.856 176.600 -0.112 0.000 0.989 219 E CA 1.370 57.782 56.400 0.020 0.000 0.800 219 E CB -0.260 29.588 29.700 0.246 0.000 0.746 219 E HN 0.350 nan 8.360 nan 0.000 0.452 220 S N 0.516 116.206 115.700 -0.016 0.000 2.356 220 S HA -0.097 4.400 4.470 0.044 0.000 0.223 220 S C 2.150 176.642 174.600 -0.180 0.000 1.032 220 S CA 0.769 58.981 58.200 0.019 0.000 1.005 220 S CB -0.188 63.161 63.200 0.248 0.000 0.867 220 S HN 0.149 nan 8.310 nan 0.000 0.449 221 L N 0.798 121.725 121.223 -0.494 0.000 2.017 221 L HA -0.127 4.240 4.340 0.044 0.000 0.208 221 L C 2.705 179.065 176.870 -0.850 0.000 1.073 221 L CA 1.544 56.024 54.840 -0.600 0.000 0.745 221 L CB -0.492 41.177 42.059 -0.651 0.000 0.894 221 L HN 0.293 nan 8.230 nan 0.000 0.432 222 K N -0.771 119.067 120.400 -0.936 0.000 2.057 222 K HA -0.177 4.170 4.320 0.044 0.000 0.207 222 K C 1.979 178.295 176.600 -0.473 0.000 1.049 222 K CA 1.531 57.239 56.287 -0.965 0.000 0.931 222 K CB -0.238 31.855 32.500 -0.678 0.000 0.714 222 K HN 0.450 nan 8.250 nan 0.000 0.440 223 H N -0.382 118.597 119.070 -0.152 0.000 2.462 223 H HA -0.094 4.488 4.556 0.044 0.000 0.292 223 H C 1.815 177.170 175.328 0.044 0.000 1.049 223 H CA 1.237 57.319 56.048 0.057 0.000 1.334 223 H CB 0.099 29.864 29.762 0.005 0.000 1.404 223 H HN 0.292 nan 8.280 nan 0.000 0.544 224 D N 0.467 120.870 120.400 0.003 0.000 2.144 224 D HA -0.176 4.491 4.640 0.044 0.000 0.200 224 D C 1.871 178.274 176.300 0.171 0.000 0.978 224 D CA 1.271 55.288 54.000 0.028 0.000 0.833 224 D CB -0.106 40.719 40.800 0.042 0.000 0.961 224 D HN 0.261 nan 8.370 nan 0.000 0.470 225 D N -0.794 119.602 120.400 -0.007 0.000 2.190 225 D HA -0.157 4.510 4.640 0.044 0.000 0.200 225 D C 1.884 178.253 176.300 0.115 0.000 0.992 225 D CA 1.196 55.204 54.000 0.014 0.000 0.854 225 D CB -0.045 40.600 40.800 -0.258 0.000 0.936 225 D HN 0.408 nan 8.370 nan 0.000 0.462 226 I N -1.228 119.392 120.570 0.085 0.000 2.364 226 I HA -0.085 4.112 4.170 0.044 0.000 0.241 226 I C 1.589 177.785 176.117 0.132 0.000 1.082 226 I CA 0.232 61.528 61.300 -0.008 0.000 1.401 226 I CB -0.208 37.682 38.000 -0.183 0.000 1.126 226 I HN -0.048 nan 8.210 nan 0.000 0.429 227 F N 1.183 121.214 119.950 0.135 0.000 2.234 227 F HA -0.094 4.461 4.527 0.047 0.000 0.299 227 F C 2.499 178.310 175.800 0.018 0.000 1.087 227 F CA 1.282 59.360 58.000 0.130 0.000 1.340 227 F CB -0.612 38.413 39.000 0.041 0.000 1.031 227 F HN -0.001 nan 8.300 nan 0.000 0.500 228 A N -2.061 120.821 122.820 0.103 0.000 2.123 228 A HA -0.027 4.320 4.320 0.044 0.000 0.214 228 A C 1.145 178.381 177.584 -0.580 0.000 1.152 228 A CA 0.915 52.799 52.037 -0.255 0.000 0.728 228 A CB -0.691 18.081 19.000 -0.380 0.000 0.814 228 A HN 0.456 nan 8.150 nan 0.000 0.464 229 Y N -1.184 119.139 120.300 0.039 0.000 2.426 229 Y HA 0.298 4.874 4.550 0.044 0.000 0.249 229 Y C 0.526 176.402 175.900 -0.040 0.000 1.103 229 Y CA -0.512 57.589 58.100 0.002 0.000 1.256 229 Y CB 0.450 38.901 38.460 -0.014 0.000 1.208 229 Y HN 0.237 nan 8.280 nan 0.000 0.519 230 E N 1.610 121.831 120.200 0.036 0.000 2.194 230 E HA 0.201 4.577 4.350 0.044 0.000 0.284 230 E C 0.296 176.901 176.600 0.009 0.000 1.035 230 E CA 0.053 56.390 56.400 -0.106 0.000 0.836 230 E CB 0.811 30.252 29.700 -0.432 0.000 1.070 230 E HN 0.174 nan 8.360 nan 0.000 0.401 231 K N 2.982 123.369 120.400 -0.021 0.000 2.356 231 K HA 0.120 4.467 4.320 0.044 0.000 0.195 231 K C 0.243 176.887 176.600 0.074 0.000 1.037 231 K CA 0.064 56.377 56.287 0.042 0.000 1.014 231 K CB 0.400 32.911 32.500 0.018 0.000 0.815 231 K HN 0.135 nan 8.250 nan 0.000 0.507 232 R N 0.502 120.991 120.500 -0.019 0.000 2.532 232 R HA 0.344 4.710 4.340 0.044 0.000 0.297 232 R C -1.778 174.449 176.300 -0.123 0.000 0.984 232 R CA -0.445 55.663 56.100 0.014 0.000 0.884 232 R CB 0.472 30.755 30.300 -0.030 0.000 1.182 232 R HN -0.230 nan 8.270 nan 0.000 0.442 233 F N 1.621 121.568 119.950 -0.005 0.000 2.577 233 F HA 0.561 5.115 4.527 0.045 0.000 0.318 233 F C -0.128 175.730 175.800 0.097 0.000 1.065 233 F CA -0.423 57.575 58.000 -0.003 0.000 0.929 233 F CB 2.432 41.434 39.000 0.003 0.000 1.237 233 F HN 0.384 nan 8.300 nan 0.000 0.468 234 D N 0.501 121.052 120.400 0.251 0.000 2.581 234 D HA 0.295 4.961 4.640 0.044 0.000 0.232 234 D C -1.260 175.175 176.300 0.226 0.000 1.143 234 D CA -0.526 53.614 54.000 0.233 0.000 0.881 234 D CB 2.897 43.778 40.800 0.134 0.000 1.500 234 D HN 0.668 nan 8.370 nan 0.000 0.458 235 E N 0.233 120.586 120.200 0.255 0.000 2.263 235 E HA 0.581 4.958 4.350 0.044 0.000 0.264 235 E C -0.562 176.132 176.600 0.157 0.000 0.923 235 E CA -0.830 55.706 56.400 0.227 0.000 0.802 235 E CB 1.921 31.835 29.700 0.358 0.000 1.228 235 E HN 0.288 nan 8.360 nan 0.000 0.417 236 I N 2.232 122.868 120.570 0.109 0.000 2.416 236 I HA 0.074 4.270 4.170 0.044 0.000 0.288 236 I C -0.001 176.138 176.117 0.037 0.000 1.051 236 I CA -0.942 60.398 61.300 0.067 0.000 1.375 236 I CB 1.290 39.312 38.000 0.038 0.000 1.407 236 I HN 0.389 nan 8.210 nan 0.000 0.516 237 V N 6.880 126.821 119.914 0.045 0.000 2.694 237 V HA -0.086 4.061 4.120 0.044 0.000 0.306 237 V C 0.638 176.720 176.094 -0.019 0.000 1.054 237 V CA 0.704 63.026 62.300 0.038 0.000 1.161 237 V CB 0.225 32.083 31.823 0.059 0.000 0.916 237 V HN 0.930 nan 8.190 nan 0.000 0.490 238 D N 2.125 122.513 120.400 -0.020 0.000 3.077 238 D HA -0.132 4.534 4.640 0.044 0.000 0.212 238 D C 0.445 176.356 176.300 -0.648 0.000 1.125 238 D CA 1.697 55.613 54.000 -0.140 0.000 0.970 238 D CB -1.320 39.459 40.800 -0.034 0.000 1.110 238 D HN 1.605 nan 8.370 nan 0.000 0.419 239 G N -0.678 107.674 108.800 -0.746 0.000 2.841 239 G HA2 -0.005 3.982 3.960 0.044 0.000 0.684 239 G HA3 -0.005 3.982 3.960 0.044 0.000 0.684 239 G C 0.670 175.420 174.900 -0.250 0.000 1.273 239 G CA -0.020 44.650 45.100 -0.717 0.000 0.811 239 G HN -0.050 nan 8.290 nan 0.000 0.631 240 M N 1.401 120.929 119.600 -0.119 0.000 2.279 240 M HA -0.038 4.469 4.480 0.044 0.000 0.264 240 M C 2.224 178.502 176.300 -0.037 0.000 1.062 240 M CA 2.112 57.395 55.300 -0.029 0.000 1.099 240 M CB -0.893 31.720 32.600 0.022 0.000 1.394 240 M HN 0.830 nan 8.290 nan 0.000 0.426 241 D N -0.240 120.123 120.400 -0.063 0.000 2.378 241 D HA -0.128 4.539 4.640 0.044 0.000 0.227 241 D C 1.447 177.708 176.300 -0.066 0.000 1.012 241 D CA 0.654 54.622 54.000 -0.053 0.000 0.905 241 D CB -0.319 40.448 40.800 -0.054 0.000 0.895 241 D HN 0.130 nan 8.370 nan 0.000 0.532 242 K N 0.019 120.373 120.400 -0.078 0.000 2.147 242 K HA -0.075 4.272 4.320 0.044 0.000 0.205 242 K C 1.940 178.504 176.600 -0.059 0.000 1.049 242 K CA 0.328 56.575 56.287 -0.067 0.000 0.936 242 K CB -0.422 32.044 32.500 -0.058 0.000 0.722 242 K HN 0.272 nan 8.250 nan 0.000 0.446 243 L N 2.237 123.441 121.223 -0.031 0.000 1.988 243 L HA -0.077 4.289 4.340 0.044 0.000 0.207 243 L C -1.101 175.701 176.870 -0.112 0.000 1.071 243 L CA 1.899 56.728 54.840 -0.018 0.000 0.744 243 L CB -1.435 40.652 42.059 0.046 0.000 0.893 243 L HN 0.033 nan 8.230 nan 0.000 0.433 244 P HA -0.118 nan 4.420 nan 0.000 0.218 244 P C 1.472 178.742 177.300 -0.049 0.000 1.149 244 P CA 1.695 64.753 63.100 -0.071 0.000 0.817 244 P CB -0.226 31.454 31.700 -0.033 0.000 0.785 245 T N 0.278 114.806 114.554 -0.044 0.000 2.708 245 T HA -0.081 4.296 4.350 0.044 0.000 0.266 245 T C 2.081 176.757 174.700 -0.041 0.000 1.037 245 T CA 1.793 63.914 62.100 0.035 0.000 1.146 245 T CB -0.787 68.080 68.868 -0.002 0.000 0.865 245 T HN 0.087 nan 8.240 nan 0.000 0.435 246 A N 1.166 123.838 122.820 -0.247 0.000 1.902 246 A HA -0.037 4.309 4.320 0.044 0.000 0.217 246 A C 2.320 179.436 177.584 -0.781 0.000 1.181 246 A CA 1.715 53.449 52.037 -0.506 0.000 0.623 246 A CB -0.713 17.884 19.000 -0.672 0.000 0.818 246 A HN 0.486 nan 8.150 nan 0.000 0.443 247 M N -1.777 117.313 119.600 -0.850 0.000 2.117 247 M HA -0.156 4.351 4.480 0.044 0.000 0.262 247 M C 2.156 178.395 176.300 -0.101 0.000 1.065 247 M CA 2.249 57.202 55.300 -0.578 0.000 1.114 247 M CB -0.327 32.053 32.600 -0.366 0.000 1.361 247 M HN 0.620 nan 8.290 nan 0.000 0.408 248 Y N 0.757 120.974 120.300 -0.139 0.000 2.128 248 Y HA -0.227 4.350 4.550 0.046 0.000 0.284 248 Y C 2.070 177.971 175.900 0.003 0.000 1.154 248 Y CA 1.897 59.985 58.100 -0.021 0.000 1.149 248 Y CB -0.605 37.876 38.460 0.036 0.000 0.976 248 Y HN 0.145 nan 8.280 nan 0.000 0.505 249 R N 0.111 120.333 120.500 -0.464 0.000 2.152 249 R HA -0.158 4.208 4.340 0.044 0.000 0.232 249 R C 1.709 177.842 176.300 -0.279 0.000 1.117 249 R CA 1.392 57.172 56.100 -0.535 0.000 0.981 249 R CB -0.361 29.772 30.300 -0.278 0.000 0.870 249 R HN 0.371 nan 8.270 nan 0.000 0.451 250 D N 0.388 120.716 120.400 -0.119 0.000 2.219 250 D HA -0.086 4.581 4.640 0.044 0.000 0.205 250 D C 1.158 177.454 176.300 -0.007 0.000 0.970 250 D CA 0.941 54.964 54.000 0.039 0.000 0.851 250 D CB 0.259 41.251 40.800 0.320 0.000 0.943 250 D HN 0.397 nan 8.370 nan 0.000 0.488 251 I N -2.520 118.022 120.570 -0.046 0.000 3.658 251 I HA 0.274 4.471 4.170 0.044 0.000 0.328 251 I C 1.349 177.409 176.117 -0.095 0.000 1.567 251 I CA -0.428 60.847 61.300 -0.041 0.000 1.078 251 I CB 0.244 38.260 38.000 0.026 0.000 1.267 251 I HN -0.207 nan 8.210 nan 0.000 0.495 252 Q N 2.894 122.543 119.800 -0.252 0.000 2.082 252 Q HA -0.286 4.080 4.340 0.044 0.000 0.211 252 Q C 1.754 177.707 176.000 -0.078 0.000 1.002 252 Q CA 3.004 58.597 55.803 -0.351 0.000 0.868 252 Q CB -0.047 28.438 28.738 -0.421 0.000 0.931 252 Q HN 0.826 nan 8.270 nan 0.000 0.414 253 D N -0.482 119.884 120.400 -0.057 0.000 2.309 253 D HA -0.180 4.486 4.640 0.044 0.000 0.212 253 D C 0.756 177.077 176.300 0.035 0.000 0.968 253 D CA 1.103 55.094 54.000 -0.015 0.000 0.882 253 D CB -0.095 40.693 40.800 -0.020 0.000 0.918 253 D HN 0.360 nan 8.370 nan 0.000 0.503 254 K N 0.039 120.468 120.400 0.049 0.000 2.374 254 K HA 0.202 4.549 4.320 0.044 0.000 0.196 254 K C -0.011 176.665 176.600 0.126 0.000 1.023 254 K CA -0.130 56.214 56.287 0.095 0.000 1.103 254 K CB 1.675 34.200 32.500 0.041 0.000 0.848 254 K HN -0.019 nan 8.250 nan 0.000 0.528 255 V N 2.332 122.318 119.914 0.119 0.000 2.398 255 V HA 0.181 4.327 4.120 0.044 0.000 0.286 255 V C -0.407 175.666 176.094 -0.036 0.000 1.026 255 V CA -0.798 61.495 62.300 -0.011 0.000 0.868 255 V CB 0.991 32.776 31.823 -0.064 0.000 0.982 255 V HN 0.246 nan 8.190 nan 0.000 0.443 256 H N 4.606 123.414 119.070 -0.436 0.000 2.511 256 H HA 0.483 5.065 4.556 0.044 0.000 0.328 256 H C -0.968 174.073 175.328 -0.479 0.000 1.044 256 H CA -0.541 55.287 56.048 -0.366 0.000 1.212 256 H CB 1.468 31.070 29.762 -0.267 0.000 1.428 256 H HN 0.477 nan 8.280 nan 0.000 0.483 257 F N 0.686 120.648 119.950 0.019 0.000 2.380 257 F HA 0.114 4.667 4.527 0.043 0.000 0.319 257 F C 1.062 176.848 175.800 -0.025 0.000 1.113 257 F CA -0.717 57.254 58.000 -0.049 0.000 1.056 257 F CB 0.583 39.536 39.000 -0.079 0.000 1.289 257 F HN 0.644 nan 8.300 nan 0.000 0.515 258 N N -0.462 118.347 118.700 0.181 0.000 2.721 258 N HA -0.175 4.591 4.740 0.044 0.000 0.249 258 N C -1.071 174.502 175.510 0.107 0.000 1.072 258 N CA 0.442 53.562 53.050 0.116 0.000 0.710 258 N CB -0.922 37.639 38.487 0.123 0.000 0.993 258 N HN 0.629 nan 8.380 nan 0.000 0.547 259 A N 0.828 123.670 122.820 0.037 0.000 2.536 259 A HA 0.404 4.751 4.320 0.044 0.000 0.329 259 A C -0.117 177.459 177.584 -0.013 0.000 1.321 259 A CA -0.412 51.636 52.037 0.019 0.000 0.804 259 A CB 0.766 19.585 19.000 -0.302 0.000 1.126 259 A HN 0.305 nan 8.150 nan 0.000 0.480 260 Q N 2.572 122.429 119.800 0.095 0.000 2.349 260 Q HA 0.465 4.832 4.340 0.044 0.000 0.254 260 Q C -0.810 175.255 176.000 0.109 0.000 0.980 260 Q CA -0.350 55.495 55.803 0.069 0.000 0.924 260 Q CB 0.968 29.773 28.738 0.110 0.000 1.209 260 Q HN 0.490 nan 8.270 nan 0.000 0.445 261 V N 6.914 126.862 119.914 0.056 0.000 2.585 261 V HA -0.034 4.113 4.120 0.044 0.000 0.296 261 V C 1.088 177.193 176.094 0.019 0.000 1.035 261 V CA 0.728 63.060 62.300 0.054 0.000 1.084 261 V CB 0.481 32.294 31.823 -0.017 0.000 0.953 261 V HN 0.862 nan 8.190 nan 0.000 0.483 262 I N 0.859 121.430 120.570 0.001 0.000 4.456 262 I HA 0.466 4.662 4.170 0.044 0.000 0.329 262 I C 0.442 176.502 176.117 -0.094 0.000 1.313 262 I CA 0.018 61.301 61.300 -0.029 0.000 1.205 262 I CB 0.321 38.319 38.000 -0.002 0.000 1.179 262 I HN 0.398 nan 8.210 nan 0.000 0.419 263 K N 2.043 122.368 120.400 -0.124 0.000 2.525 263 K HA 0.694 5.040 4.320 0.044 0.000 0.254 263 K C -1.417 175.048 176.600 -0.225 0.000 0.934 263 K CA -0.481 55.699 56.287 -0.179 0.000 0.802 263 K CB 3.342 35.782 32.500 -0.099 0.000 1.295 263 K HN 0.031 nan 8.250 nan 0.000 0.433 264 I N 2.787 123.153 120.570 -0.340 0.000 2.512 264 I HA 0.237 4.433 4.170 0.044 0.000 0.287 264 I C -0.918 175.135 176.117 -0.107 0.000 1.069 264 I CA -0.608 60.533 61.300 -0.265 0.000 1.056 264 I CB 2.147 39.889 38.000 -0.430 0.000 1.229 264 I HN 0.470 nan 8.210 nan 0.000 0.429 265 Q N 5.906 125.686 119.800 -0.033 0.000 2.433 265 Q HA 0.659 5.025 4.340 0.044 0.000 0.279 265 Q C -1.266 174.751 176.000 0.028 0.000 1.105 265 Q CA -0.950 54.864 55.803 0.019 0.000 0.815 265 Q CB 3.260 31.999 28.738 0.002 0.000 1.403 265 Q HN 0.613 nan 8.270 nan 0.000 0.435 266 Q N 0.487 120.312 119.800 0.043 0.000 2.482 266 Q HA 0.609 4.975 4.340 0.044 0.000 0.286 266 Q C -1.571 174.442 176.000 0.022 0.000 1.007 266 Q CA -0.923 54.896 55.803 0.028 0.000 0.801 266 Q CB 1.675 30.441 28.738 0.046 0.000 1.455 266 Q HN 0.691 nan 8.270 nan 0.000 0.398 267 N N -0.303 118.400 118.700 0.005 0.000 3.229 267 N HA 0.333 5.099 4.740 0.044 0.000 0.315 267 N C -0.590 174.919 175.510 -0.002 0.000 1.520 267 N CA -0.623 52.430 53.050 0.005 0.000 0.769 267 N CB 0.358 38.845 38.487 0.001 0.000 1.766 267 N HN 0.493 nan 8.380 nan 0.000 0.618 268 D N -0.916 119.484 120.400 0.001 0.000 2.263 268 D HA -0.095 4.572 4.640 0.044 0.000 0.208 268 D C 0.993 177.282 176.300 -0.018 0.000 0.971 268 D CA 1.305 55.305 54.000 -0.000 0.000 0.867 268 D CB 0.085 40.889 40.800 0.007 0.000 0.929 268 D HN 0.431 nan 8.370 nan 0.000 0.492 269 Q N -0.427 119.357 119.800 -0.028 0.000 2.387 269 Q HA 0.151 4.517 4.340 0.044 0.000 0.212 269 Q C 0.645 176.594 176.000 -0.086 0.000 0.925 269 Q CA 0.708 56.483 55.803 -0.046 0.000 0.901 269 Q CB 0.929 29.651 28.738 -0.026 0.000 1.020 269 Q HN 0.140 nan 8.270 nan 0.000 0.545 270 K N 0.484 120.841 120.400 -0.071 0.000 2.439 270 K HA 0.569 4.916 4.320 0.044 0.000 0.260 270 K C -0.551 176.007 176.600 -0.070 0.000 1.032 270 K CA -0.756 55.477 56.287 -0.090 0.000 0.882 270 K CB 2.369 34.836 32.500 -0.055 0.000 1.420 270 K HN -0.021 nan 8.250 nan 0.000 0.455 271 V N -2.090 117.778 119.914 -0.078 0.000 2.769 271 V HA 0.736 4.882 4.120 0.044 0.000 0.312 271 V C -0.577 175.487 176.094 -0.049 0.000 1.061 271 V CA -0.463 61.808 62.300 -0.049 0.000 0.931 271 V CB 1.828 33.625 31.823 -0.044 0.000 1.010 271 V HN 0.682 nan 8.190 nan 0.000 0.433 272 T N 3.325 117.858 114.554 -0.035 0.000 2.809 272 T HA 0.652 5.028 4.350 0.044 0.000 0.284 272 T C -0.569 174.108 174.700 -0.040 0.000 0.992 272 T CA -0.377 61.704 62.100 -0.033 0.000 0.957 272 T CB 1.456 70.310 68.868 -0.023 0.000 0.942 272 T HN 0.746 nan 8.240 nan 0.000 0.439 273 V N 4.073 123.969 119.914 -0.030 0.000 2.409 273 V HA 0.479 4.626 4.120 0.044 0.000 0.291 273 V C -0.121 175.994 176.094 0.035 0.000 1.020 273 V CA -0.772 61.517 62.300 -0.019 0.000 0.848 273 V CB 1.660 33.469 31.823 -0.022 0.000 0.990 273 V HN 0.697 nan 8.190 nan 0.000 0.430 274 V N 6.372 126.287 119.914 0.003 0.000 2.435 274 V HA 0.602 4.748 4.120 0.044 0.000 0.290 274 V C -0.656 175.472 176.094 0.056 0.000 1.030 274 V CA -0.578 61.710 62.300 -0.020 0.000 0.881 274 V CB 1.350 33.134 31.823 -0.065 0.000 0.983 274 V HN 0.891 nan 8.190 nan 0.000 0.445 275 Y N 1.326 121.602 120.300 -0.040 0.000 2.553 275 Y HA 0.783 5.360 4.550 0.044 0.000 0.347 275 Y C -0.388 175.507 175.900 -0.007 0.000 1.019 275 Y CA -1.322 56.760 58.100 -0.029 0.000 1.032 275 Y CB 1.267 39.706 38.460 -0.035 0.000 1.284 275 Y HN 0.595 nan 8.280 nan 0.000 0.466 276 E N 1.330 121.622 120.200 0.153 0.000 2.283 276 E HA 0.520 4.896 4.350 0.044 0.000 0.267 276 E C -0.417 176.295 176.600 0.187 0.000 1.045 276 E CA -0.601 55.851 56.400 0.086 0.000 0.884 276 E CB 1.682 31.428 29.700 0.077 0.000 1.106 276 E HN 0.841 nan 8.360 nan 0.000 0.408 277 T N -2.194 112.429 114.554 0.116 0.000 2.724 277 T HA 0.329 4.706 4.350 0.044 0.000 0.274 277 T C 0.919 175.675 174.700 0.094 0.000 0.984 277 T CA -0.829 61.357 62.100 0.144 0.000 1.024 277 T CB 0.223 69.169 68.868 0.130 0.000 1.320 277 T HN 0.349 nan 8.240 nan 0.000 0.555 278 L N 0.997 122.272 121.223 0.086 0.000 2.376 278 L HA 0.137 4.503 4.340 0.044 0.000 0.219 278 L C 1.728 178.624 176.870 0.044 0.000 1.133 278 L CA 0.547 55.425 54.840 0.064 0.000 0.816 278 L CB -0.480 41.614 42.059 0.059 0.000 0.933 278 L HN 0.819 nan 8.230 nan 0.000 0.449 279 S N -1.529 114.195 115.700 0.040 0.000 2.677 279 S HA 0.268 4.765 4.470 0.044 0.000 0.290 279 S C 0.993 175.603 174.600 0.016 0.000 1.124 279 S CA -0.792 57.422 58.200 0.024 0.000 1.017 279 S CB 0.970 64.182 63.200 0.019 0.000 1.215 279 S HN -0.106 nan 8.310 nan 0.000 0.524 280 K N 0.637 121.040 120.400 0.005 0.000 2.366 280 K HA 0.156 4.503 4.320 0.044 0.000 0.198 280 K C 0.624 177.213 176.600 -0.017 0.000 1.044 280 K CA 0.305 56.590 56.287 -0.003 0.000 0.973 280 K CB -0.595 31.902 32.500 -0.005 0.000 0.767 280 K HN 0.764 nan 8.250 nan 0.000 0.475 281 E N 2.045 122.233 120.200 -0.020 0.000 2.415 281 E HA -0.035 4.342 4.350 0.044 0.000 0.263 281 E C -0.666 175.883 176.600 -0.085 0.000 0.995 281 E CA 0.303 56.676 56.400 -0.045 0.000 0.915 281 E CB 0.433 30.112 29.700 -0.034 0.000 0.951 281 E HN 0.049 nan 8.360 nan 0.000 0.449 282 T N 2.908 117.383 114.554 -0.132 0.000 3.241 282 T HA 0.390 4.766 4.350 0.044 0.000 0.387 282 T C -2.529 171.978 174.700 -0.321 0.000 1.451 282 T CA -1.911 60.061 62.100 -0.213 0.000 1.363 282 T CB 0.966 69.757 68.868 -0.129 0.000 1.074 282 T HN 0.237 nan 8.240 nan 0.000 0.598 283 P HA 0.299 nan 4.420 nan 0.000 0.269 283 P C -0.287 176.741 177.300 -0.453 0.000 1.217 283 P CA -0.178 62.625 63.100 -0.495 0.000 0.783 283 P CB 0.570 31.913 31.700 -0.595 0.000 0.898 284 S N 0.915 116.502 115.700 -0.189 0.000 2.502 284 S HA 0.550 5.046 4.470 0.044 0.000 0.304 284 S C -1.189 173.419 174.600 0.014 0.000 1.097 284 S CA -0.722 57.430 58.200 -0.079 0.000 1.045 284 S CB 0.624 63.789 63.200 -0.059 0.000 1.019 284 S HN 0.244 nan 8.310 nan 0.000 0.481 285 V N 5.081 125.034 119.914 0.065 0.000 2.540 285 V HA 0.695 4.841 4.120 0.044 0.000 0.302 285 V C -0.456 175.653 176.094 0.027 0.000 1.035 285 V CA -0.103 62.249 62.300 0.088 0.000 0.873 285 V CB 1.944 33.846 31.823 0.132 0.000 0.992 285 V HN 0.945 nan 8.190 nan 0.000 0.428 286 T N 6.412 120.992 114.554 0.044 0.000 2.829 286 T HA 0.871 5.247 4.350 0.044 0.000 0.282 286 T C -0.081 174.614 174.700 -0.007 0.000 0.990 286 T CA 0.310 62.417 62.100 0.011 0.000 1.028 286 T CB 1.413 70.301 68.868 0.032 0.000 0.951 286 T HN 1.270 nan 8.240 nan 0.000 0.460 287 A N 1.967 124.721 122.820 -0.109 0.000 2.568 287 A HA 0.645 4.992 4.320 0.044 0.000 0.291 287 A C 0.211 177.710 177.584 -0.142 0.000 1.159 287 A CA -0.655 51.259 52.037 -0.204 0.000 0.679 287 A CB 0.826 19.468 19.000 -0.598 0.000 1.285 287 A HN 0.661 nan 8.150 nan 0.000 0.428 288 D N -1.124 119.196 120.400 -0.134 0.000 2.183 288 D HA 0.147 4.813 4.640 0.044 0.000 0.205 288 D C -0.530 175.397 176.300 -0.622 0.000 0.962 288 D CA 1.930 55.736 54.000 -0.324 0.000 0.849 288 D CB 0.141 40.815 40.800 -0.210 0.000 0.978 288 D HN 0.467 nan 8.370 nan 0.000 0.488 289 Y N -1.093 119.177 120.300 -0.050 0.000 2.615 289 Y HA 0.454 5.030 4.550 0.044 0.000 0.341 289 Y C -0.577 175.280 175.900 -0.073 0.000 1.089 289 Y CA -1.132 56.953 58.100 -0.026 0.000 1.049 289 Y CB 2.431 40.854 38.460 -0.062 0.000 1.296 289 Y HN -0.364 nan 8.280 nan 0.000 0.470 290 V N 3.542 123.548 119.914 0.154 0.000 2.808 290 V HA 0.632 4.778 4.120 0.044 0.000 0.308 290 V C -1.613 174.499 176.094 0.030 0.000 1.099 290 V CA -0.716 61.601 62.300 0.029 0.000 0.920 290 V CB 1.670 33.485 31.823 -0.012 0.000 1.014 290 V HN 0.667 nan 8.190 nan 0.000 0.425 291 I N 6.848 127.396 120.570 -0.037 0.000 2.382 291 I HA 0.417 4.614 4.170 0.044 0.000 0.285 291 I C -0.407 175.655 176.117 -0.091 0.000 1.007 291 I CA -0.919 60.345 61.300 -0.060 0.000 1.142 291 I CB 1.906 39.875 38.000 -0.051 0.000 1.289 291 I HN 0.301 nan 8.210 nan 0.000 0.453 292 V N 5.755 125.555 119.914 -0.190 0.000 2.408 292 V HA 0.062 4.209 4.120 0.044 0.000 0.267 292 V C 0.334 176.479 176.094 0.084 0.000 1.047 292 V CA -0.110 62.157 62.300 -0.055 0.000 0.937 292 V CB 0.940 32.726 31.823 -0.061 0.000 0.999 292 V HN 0.913 nan 8.190 nan 0.000 0.472 293 C N 3.679 123.036 119.300 0.096 0.000 2.741 293 C HA 0.303 4.790 4.460 0.044 0.000 0.267 293 C C 1.345 176.428 174.990 0.155 0.000 1.549 293 C CA -0.372 58.717 59.018 0.117 0.000 1.772 293 C CB -1.161 26.606 27.740 0.045 0.000 2.962 293 C HN 0.965 nan 8.230 nan 0.000 0.514 294 T N -1.226 113.459 114.554 0.219 0.000 2.852 294 T HA 0.526 4.902 4.350 0.044 0.000 0.281 294 T C 0.492 175.374 174.700 0.304 0.000 0.993 294 T CA -0.006 62.217 62.100 0.205 0.000 0.933 294 T CB 0.726 69.698 68.868 0.174 0.000 1.187 294 T HN 0.406 nan 8.240 nan 0.000 0.559 295 T N -0.602 114.083 114.554 0.218 0.000 2.813 295 T HA 0.237 4.613 4.350 0.044 0.000 0.297 295 T C 1.712 176.428 174.700 0.027 0.000 1.036 295 T CA -0.188 62.037 62.100 0.210 0.000 1.044 295 T CB 0.452 69.350 68.868 0.051 0.000 0.993 295 T HN 0.846 nan 8.240 nan 0.000 0.535 296 S N 1.263 116.764 115.700 -0.331 0.000 2.383 296 S HA -0.185 4.311 4.470 0.044 0.000 0.229 296 S C 2.007 176.443 174.600 -0.274 0.000 1.030 296 S CA 0.659 58.445 58.200 -0.689 0.000 1.002 296 S CB -0.542 62.080 63.200 -0.963 0.000 0.829 296 S HN 0.744 nan 8.310 nan 0.000 0.467 297 R N 1.520 121.886 120.500 -0.223 0.000 2.092 297 R HA 0.133 4.500 4.340 0.044 0.000 0.231 297 R C 2.723 178.988 176.300 -0.059 0.000 1.119 297 R CA 1.148 57.155 56.100 -0.155 0.000 0.970 297 R CB -0.730 29.440 30.300 -0.215 0.000 0.864 297 R HN 0.565 nan 8.270 nan 0.000 0.440 298 A N 0.705 123.513 122.820 -0.021 0.000 2.019 298 A HA -0.098 4.249 4.320 0.044 0.000 0.219 298 A C 2.270 179.919 177.584 0.109 0.000 1.164 298 A CA 1.164 53.237 52.037 0.060 0.000 0.644 298 A CB -0.371 18.691 19.000 0.104 0.000 0.805 298 A HN 0.113 nan 8.150 nan 0.000 0.449 299 V N 0.144 120.134 119.914 0.126 0.000 2.407 299 V HA -0.272 3.875 4.120 0.044 0.000 0.248 299 V C 2.445 178.695 176.094 0.260 0.000 1.055 299 V CA 2.160 64.614 62.300 0.256 0.000 1.049 299 V CB -0.839 31.130 31.823 0.244 0.000 0.662 299 V HN 0.557 nan 8.190 nan 0.000 0.455 300 R N -0.306 120.265 120.500 0.119 0.000 2.285 300 R HA 0.019 4.385 4.340 0.044 0.000 0.213 300 R C 1.932 178.297 176.300 0.107 0.000 1.068 300 R CA 0.812 56.972 56.100 0.100 0.000 1.004 300 R CB -0.254 30.058 30.300 0.019 0.000 0.873 300 R HN 0.459 nan 8.270 nan 0.000 0.467 301 L N 0.414 121.698 121.223 0.102 0.000 2.509 301 L HA 0.143 4.510 4.340 0.044 0.000 0.222 301 L C 0.733 177.644 176.870 0.068 0.000 1.123 301 L CA 0.146 55.030 54.840 0.073 0.000 0.856 301 L CB 0.111 42.208 42.059 0.063 0.000 0.985 301 L HN 0.067 nan 8.230 nan 0.000 0.456 302 I N 0.741 121.367 120.570 0.095 0.000 2.395 302 I HA 0.070 4.267 4.170 0.044 0.000 0.289 302 I C 0.486 176.576 176.117 -0.045 0.000 1.023 302 I CA -0.171 61.104 61.300 -0.042 0.000 1.350 302 I CB 1.157 39.049 38.000 -0.180 0.000 1.409 302 I HN -0.021 nan 8.210 nan 0.000 0.507 303 K N 6.640 126.970 120.400 -0.117 0.000 2.285 303 K HA 0.362 4.708 4.320 0.044 0.000 0.286 303 K C -1.341 175.178 176.600 -0.136 0.000 1.072 303 K CA -0.238 56.032 56.287 -0.029 0.000 0.913 303 K CB 0.474 32.962 32.500 -0.019 0.000 1.067 303 K HN 0.282 nan 8.250 nan 0.000 0.479 304 F N 2.934 122.910 119.950 0.043 0.000 2.443 304 F HA 0.315 4.868 4.527 0.043 0.000 0.335 304 F C 0.321 176.143 175.800 0.035 0.000 1.104 304 F CA -0.611 57.418 58.000 0.049 0.000 1.013 304 F CB 1.626 40.670 39.000 0.074 0.000 1.136 304 F HN 0.541 nan 8.300 nan 0.000 0.470 305 N N 4.229 123.046 118.700 0.195 0.000 2.533 305 N HA 0.327 5.094 4.740 0.044 0.000 0.289 305 N C -2.959 172.616 175.510 0.109 0.000 1.103 305 N CA -1.782 51.340 53.050 0.120 0.000 0.877 305 N CB 1.942 40.467 38.487 0.063 0.000 1.419 305 N HN 0.177 nan 8.380 nan 0.000 0.517 306 P HA 0.197 nan 4.420 nan 0.000 0.272 306 P C -2.768 174.612 177.300 0.134 0.000 1.230 306 P CA -0.846 62.310 63.100 0.093 0.000 0.788 306 P CB 0.322 32.059 31.700 0.063 0.000 0.949 307 P HA 0.101 nan 4.420 nan 0.000 0.270 307 P C 0.052 177.367 177.300 0.024 0.000 1.223 307 P CA 0.011 63.177 63.100 0.110 0.000 0.785 307 P CB 0.587 32.330 31.700 0.071 0.000 0.923 308 L N 1.421 122.596 121.223 -0.080 0.000 2.453 308 L HA 0.093 4.460 4.340 0.044 0.000 0.272 308 L C 1.192 178.002 176.870 -0.099 0.000 1.182 308 L CA -0.317 54.414 54.840 -0.181 0.000 0.858 308 L CB -0.404 41.436 42.059 -0.365 0.000 1.120 308 L HN 0.275 nan 8.230 nan 0.000 0.474 309 L N 4.688 125.862 121.223 -0.081 0.000 2.499 309 L HA -0.028 4.338 4.340 0.044 0.000 0.281 309 L C -1.112 175.727 176.870 -0.052 0.000 1.234 309 L CA -1.109 53.702 54.840 -0.049 0.000 0.839 309 L CB -0.071 41.966 42.059 -0.037 0.000 1.104 309 L HN 0.471 nan 8.230 nan 0.000 0.500 310 P HA -0.228 nan 4.420 nan 0.000 0.217 310 P C 1.108 178.418 177.300 0.017 0.000 1.162 310 P CA 1.623 64.722 63.100 -0.002 0.000 0.901 310 P CB 0.138 31.848 31.700 0.017 0.000 0.793 311 K N -0.325 120.079 120.400 0.007 0.000 2.026 311 K HA -0.183 4.164 4.320 0.044 0.000 0.208 311 K C 2.224 178.795 176.600 -0.047 0.000 1.048 311 K CA 1.453 57.743 56.287 0.005 0.000 0.929 311 K CB -0.348 32.142 32.500 -0.016 0.000 0.713 311 K HN 0.112 nan 8.250 nan 0.000 0.439 312 K N 0.961 121.300 120.400 -0.101 0.000 2.057 312 K HA -0.116 4.230 4.320 0.044 0.000 0.206 312 K C 2.166 178.643 176.600 -0.205 0.000 1.050 312 K CA 1.201 57.375 56.287 -0.188 0.000 0.935 312 K CB -0.115 32.227 32.500 -0.264 0.000 0.715 312 K HN 0.106 nan 8.250 nan 0.000 0.439 313 A N 1.197 123.927 122.820 -0.150 0.000 1.883 313 A HA -0.246 4.101 4.320 0.044 0.000 0.217 313 A C 2.140 179.666 177.584 -0.096 0.000 1.186 313 A CA 1.933 53.893 52.037 -0.128 0.000 0.624 313 A CB -1.051 17.898 19.000 -0.085 0.000 0.822 313 A HN 0.540 nan 8.150 nan 0.000 0.444 314 H N 0.225 119.189 119.070 -0.176 0.000 2.353 314 H HA 0.005 4.586 4.556 0.042 0.000 0.300 314 H C 2.335 177.362 175.328 -0.501 0.000 1.090 314 H CA 1.667 57.598 56.048 -0.195 0.000 1.327 314 H CB -0.618 29.125 29.762 -0.031 0.000 1.383 314 H HN 0.386 nan 8.280 nan 0.000 0.508 315 A N 0.921 123.410 122.820 -0.552 0.000 1.883 315 A HA -0.127 4.220 4.320 0.044 0.000 0.217 315 A C 2.870 180.056 177.584 -0.664 0.000 1.186 315 A CA 1.590 52.956 52.037 -1.117 0.000 0.624 315 A CB -0.995 17.651 19.000 -0.589 0.000 0.822 315 A HN 0.442 nan 8.150 nan 0.000 0.444 316 L N -1.125 119.863 121.223 -0.392 0.000 2.083 316 L HA -0.184 4.183 4.340 0.044 0.000 0.209 316 L C 2.773 179.505 176.870 -0.230 0.000 1.083 316 L CA 1.772 56.425 54.840 -0.313 0.000 0.752 316 L CB -0.451 41.452 42.059 -0.259 0.000 0.899 316 L HN 0.522 nan 8.230 nan 0.000 0.433 317 R N -0.179 120.210 120.500 -0.185 0.000 2.062 317 R HA -0.102 4.264 4.340 0.044 0.000 0.229 317 R C 2.208 178.466 176.300 -0.070 0.000 1.128 317 R CA 1.807 57.848 56.100 -0.098 0.000 0.960 317 R CB -0.047 30.216 30.300 -0.062 0.000 0.855 317 R HN 0.161 nan 8.270 nan 0.000 0.432 318 S N 0.039 115.661 115.700 -0.131 0.000 2.458 318 S HA 0.115 4.612 4.470 0.044 0.000 0.223 318 S C 0.367 174.926 174.600 -0.068 0.000 1.019 318 S CA -0.043 58.122 58.200 -0.059 0.000 0.937 318 S CB 0.468 63.690 63.200 0.036 0.000 0.788 318 S HN 0.074 nan 8.310 nan 0.000 0.511 319 V N 3.705 123.469 119.914 -0.251 0.000 2.539 319 V HA -0.059 4.088 4.120 0.044 0.000 0.300 319 V C 0.414 176.583 176.094 0.125 0.000 1.019 319 V CA 0.388 62.605 62.300 -0.139 0.000 1.160 319 V CB -0.518 31.194 31.823 -0.185 0.000 0.901 319 V HN 0.430 nan 8.190 nan 0.000 0.481 320 H N 5.177 124.289 119.070 0.070 0.000 2.551 320 H HA 0.480 5.056 4.556 0.032 0.000 0.358 320 H C -1.002 174.395 175.328 0.116 0.000 1.151 320 H CA -0.013 56.139 56.048 0.173 0.000 1.374 320 H CB 0.595 30.471 29.762 0.190 0.000 1.473 320 H HN 0.538 nan 8.280 nan 0.000 0.574 321 Y N 1.533 121.532 120.300 -0.503 0.000 2.499 321 Y HA 0.320 4.893 4.550 0.040 0.000 0.347 321 Y C -0.187 175.462 175.900 -0.418 0.000 0.987 321 Y CA -1.020 56.901 58.100 -0.300 0.000 1.044 321 Y CB 1.446 39.813 38.460 -0.156 0.000 1.245 321 Y HN 0.661 nan 8.280 nan 0.000 0.461 322 R N 0.722 121.219 120.500 -0.005 0.000 2.532 322 R HA 0.767 5.133 4.340 0.044 0.000 0.295 322 R C -0.742 175.628 176.300 0.116 0.000 0.968 322 R CA -0.712 55.427 56.100 0.066 0.000 0.916 322 R CB 1.444 31.797 30.300 0.088 0.000 1.124 322 R HN 0.557 nan 8.270 nan 0.000 0.463 323 S N 0.477 116.264 115.700 0.144 0.000 2.584 323 S HA 0.445 4.942 4.470 0.044 0.000 0.270 323 S C 0.106 174.822 174.600 0.195 0.000 1.346 323 S CA 0.201 58.508 58.200 0.179 0.000 1.018 323 S CB 1.180 64.490 63.200 0.184 0.000 0.899 323 S HN 0.776 nan 8.310 nan 0.000 0.542 324 G N 0.928 109.894 108.800 0.276 0.000 2.668 324 G HA2 0.524 4.510 3.960 0.044 0.000 0.284 324 G HA3 0.524 4.510 3.960 0.044 0.000 0.284 324 G C -1.165 173.994 174.900 0.431 0.000 1.456 324 G CA -0.441 44.873 45.100 0.356 0.000 1.214 324 G HN 0.558 nan 8.290 nan 0.000 0.568 325 T N 2.102 116.869 114.554 0.355 0.000 2.881 325 T HA 0.533 4.910 4.350 0.044 0.000 0.290 325 T C -0.403 174.385 174.700 0.146 0.000 1.000 325 T CA -0.582 61.643 62.100 0.208 0.000 0.978 325 T CB 1.807 70.747 68.868 0.121 0.000 0.997 325 T HN 0.405 nan 8.240 nan 0.000 0.443 326 K N 2.855 123.257 120.400 0.002 0.000 2.345 326 K HA 0.614 4.960 4.320 0.044 0.000 0.255 326 K C -0.941 175.428 176.600 -0.385 0.000 0.934 326 K CA -0.668 55.466 56.287 -0.254 0.000 0.801 326 K CB 2.208 34.482 32.500 -0.375 0.000 1.137 326 K HN 0.488 nan 8.250 nan 0.000 0.424 327 I N 3.851 124.085 120.570 -0.560 0.000 2.355 327 I HA 0.328 4.524 4.170 0.044 0.000 0.288 327 I C -0.908 174.871 176.117 -0.564 0.000 0.999 327 I CA -0.763 60.255 61.300 -0.470 0.000 1.163 327 I CB 0.654 38.340 38.000 -0.523 0.000 1.316 327 I HN 0.358 nan 8.210 nan 0.000 0.454 328 F N 6.508 126.309 119.950 -0.249 0.000 2.436 328 F HA 0.546 5.098 4.527 0.043 0.000 0.340 328 F C -0.091 175.524 175.800 -0.308 0.000 1.113 328 F CA -0.668 57.191 58.000 -0.236 0.000 1.022 328 F CB 1.154 40.060 39.000 -0.156 0.000 1.128 328 F HN 0.119 nan 8.300 nan 0.000 0.466 329 L N 3.124 124.241 121.223 -0.177 0.000 2.333 329 L HA 0.480 4.847 4.340 0.044 0.000 0.280 329 L C -0.356 176.333 176.870 -0.302 0.000 1.004 329 L CA -0.555 54.129 54.840 -0.260 0.000 0.820 329 L CB 1.925 43.854 42.059 -0.217 0.000 1.247 329 L HN 0.565 nan 8.230 nan 0.000 0.416 330 T N 2.007 116.219 114.554 -0.570 0.000 2.744 330 T HA 0.374 4.751 4.350 0.044 0.000 0.291 330 T C -0.266 174.263 174.700 -0.284 0.000 0.957 330 T CA -0.246 61.447 62.100 -0.677 0.000 1.002 330 T CB 0.468 68.576 68.868 -1.266 0.000 0.919 330 T HN 0.539 nan 8.240 nan 0.000 0.468 331 c N 2.877 121.450 118.600 -0.045 0.000 2.456 331 c HA 0.544 5.141 4.570 0.044 0.000 0.325 331 c C 1.949 176.104 174.090 0.107 0.000 1.217 331 c CA -0.817 55.605 56.329 0.154 0.000 1.687 331 c CB 1.159 43.869 42.510 0.334 0.000 2.270 331 c HN 1.014 nan 8.230 nan 0.000 0.499 332 T N -2.266 112.371 114.554 0.139 0.000 3.060 332 T HA 0.092 4.469 4.350 0.044 0.000 0.249 332 T C 0.445 175.142 174.700 -0.004 0.000 1.079 332 T CA 0.424 62.577 62.100 0.088 0.000 1.013 332 T CB -0.134 68.810 68.868 0.127 0.000 0.975 332 T HN 0.644 nan 8.240 nan 0.000 0.518 333 T N 2.592 117.113 114.554 -0.055 0.000 2.892 333 T HA 0.341 4.718 4.350 0.044 0.000 0.311 333 T C -0.459 173.967 174.700 -0.456 0.000 1.033 333 T CA -0.738 61.175 62.100 -0.312 0.000 0.991 333 T CB 1.403 69.877 68.868 -0.657 0.000 0.981 333 T HN 0.167 nan 8.240 nan 0.000 0.457 334 K N 3.509 123.486 120.400 -0.705 0.000 2.480 334 K HA 0.130 4.477 4.320 0.044 0.000 0.241 334 K C 1.144 176.815 176.600 -1.549 0.000 1.261 334 K CA -0.268 55.063 56.287 -1.594 0.000 1.193 334 K CB -0.444 31.272 32.500 -1.306 0.000 1.598 334 K HN 0.687 nan 8.250 nan 0.000 0.278 335 F N -0.550 118.828 119.950 -0.952 0.000 2.192 335 F HA -0.220 4.333 4.527 0.043 0.000 0.301 335 F C 1.561 177.138 175.800 -0.372 0.000 1.079 335 F CA 0.485 58.165 58.000 -0.534 0.000 1.303 335 F CB -0.871 37.997 39.000 -0.220 0.000 1.024 335 F HN 0.416 nan 8.300 nan 0.000 0.494 336 W N 1.406 122.241 121.300 -0.776 0.000 2.421 336 W HA 0.035 4.723 4.660 0.047 0.000 0.270 336 W C 1.555 177.864 176.519 -0.350 0.000 1.233 336 W CA 0.990 58.030 57.345 -0.509 0.000 1.226 336 W CB -1.291 27.761 29.460 -0.680 0.000 1.121 336 W HN 0.112 nan 8.180 nan 0.000 0.579 337 E N 0.907 120.675 120.200 -0.720 0.000 2.268 337 E HA -0.178 4.198 4.350 0.044 0.000 0.195 337 E C 1.279 177.719 176.600 -0.267 0.000 0.995 337 E CA 1.291 57.364 56.400 -0.545 0.000 0.836 337 E CB -0.353 29.020 29.700 -0.544 0.000 0.763 337 E HN 0.340 nan 8.360 nan 0.000 0.491 338 D N 1.063 121.359 120.400 -0.173 0.000 2.310 338 D HA -0.099 4.567 4.640 0.044 0.000 0.212 338 D C 0.861 177.184 176.300 0.038 0.000 0.965 338 D CA 0.822 54.798 54.000 -0.041 0.000 0.879 338 D CB -0.050 40.757 40.800 0.012 0.000 0.921 338 D HN 0.119 nan 8.370 nan 0.000 0.510 339 D N -0.633 119.806 120.400 0.065 0.000 2.339 339 D HA 0.148 4.815 4.640 0.044 0.000 0.217 339 D C 1.409 177.677 176.300 -0.055 0.000 1.050 339 D CA 0.296 54.365 54.000 0.116 0.000 0.856 339 D CB 0.638 41.636 40.800 0.331 0.000 0.922 339 D HN 0.206 nan 8.370 nan 0.000 0.518 340 G N 1.357 110.098 108.800 -0.098 0.000 2.136 340 G HA2 -0.282 3.704 3.960 0.044 0.000 0.242 340 G HA3 -0.282 3.704 3.960 0.044 0.000 0.242 340 G C 0.271 175.051 174.900 -0.201 0.000 0.989 340 G CA -0.275 44.769 45.100 -0.094 0.000 0.682 340 G HN 0.358 nan 8.290 nan 0.000 0.522 341 I N 1.583 121.932 120.570 -0.367 0.000 2.342 341 I HA 0.375 4.572 4.170 0.044 0.000 0.291 341 I C 0.101 175.858 176.117 -0.601 0.000 1.010 341 I CA -0.568 60.484 61.300 -0.414 0.000 1.308 341 I CB 0.817 38.524 38.000 -0.489 0.000 1.400 341 I HN 0.088 nan 8.210 nan 0.000 0.488 342 H N 5.456 124.484 119.070 -0.070 0.000 2.974 342 H HA 0.394 4.977 4.556 0.045 0.000 0.285 342 H C 0.318 175.610 175.328 -0.060 0.000 1.227 342 H CA -0.183 55.851 56.048 -0.023 0.000 1.569 342 H CB 1.372 31.111 29.762 -0.038 0.000 1.648 342 H HN 0.910 nan 8.280 nan 0.000 0.521 343 G N 1.146 109.946 108.800 -0.001 0.000 2.757 343 G HA2 0.215 4.202 3.960 0.044 0.000 0.638 343 G HA3 0.215 4.202 3.960 0.044 0.000 0.638 343 G C 0.216 175.078 174.900 -0.064 0.000 1.344 343 G CA -0.194 44.858 45.100 -0.079 0.000 0.855 343 G HN 1.315 nan 8.290 nan 0.000 0.537 344 G N -0.815 107.916 108.800 -0.116 0.000 2.615 344 G HA2 0.492 4.479 3.960 0.044 0.000 0.218 344 G HA3 0.492 4.479 3.960 0.044 0.000 0.218 344 G C -0.183 174.699 174.900 -0.029 0.000 1.339 344 G CA 1.017 46.076 45.100 -0.068 0.000 0.884 344 G HN 2.613 nan 8.290 nan 0.000 0.559 345 K N -1.824 118.525 120.400 -0.084 0.000 2.556 345 K HA 0.773 5.120 4.320 0.044 0.000 0.274 345 K C -0.828 175.738 176.600 -0.057 0.000 0.966 345 K CA -0.664 55.503 56.287 -0.199 0.000 0.865 345 K CB 1.623 33.665 32.500 -0.764 0.000 1.444 345 K HN 0.752 nan 8.250 nan 0.000 0.433 346 S N 0.450 116.154 115.700 0.007 0.000 2.549 346 S HA 0.536 5.032 4.470 0.044 0.000 0.297 346 S C -0.962 173.570 174.600 -0.114 0.000 1.115 346 S CA -0.564 57.638 58.200 0.003 0.000 1.059 346 S CB 1.714 65.037 63.200 0.205 0.000 1.046 346 S HN 0.550 nan 8.310 nan 0.000 0.506 347 T N 1.877 116.315 114.554 -0.193 0.000 2.841 347 T HA 0.693 5.070 4.350 0.044 0.000 0.283 347 T C -0.334 174.300 174.700 -0.110 0.000 1.000 347 T CA -0.499 61.456 62.100 -0.242 0.000 0.977 347 T CB 1.747 70.533 68.868 -0.138 0.000 0.979 347 T HN 0.562 nan 8.240 nan 0.000 0.446 348 T N 0.454 114.868 114.554 -0.235 0.000 2.843 348 T HA 0.418 4.795 4.350 0.044 0.000 0.302 348 T C -0.618 174.001 174.700 -0.135 0.000 1.232 348 T CA -0.723 61.348 62.100 -0.049 0.000 1.009 348 T CB 1.449 70.349 68.868 0.055 0.000 1.254 348 T HN 0.591 nan 8.240 nan 0.000 0.504 349 D N 1.454 121.830 120.400 -0.040 0.000 2.340 349 D HA 0.224 4.891 4.640 0.044 0.000 0.217 349 D C 0.772 177.023 176.300 -0.081 0.000 1.081 349 D CA -0.116 53.841 54.000 -0.071 0.000 0.842 349 D CB -0.245 40.531 40.800 -0.041 0.000 0.934 349 D HN 0.370 nan 8.370 nan 0.000 0.511 350 L N 0.239 121.438 121.223 -0.040 0.000 2.472 350 L HA 0.201 4.567 4.340 0.044 0.000 0.260 350 L C -1.092 175.687 176.870 -0.152 0.000 1.209 350 L CA -1.753 53.049 54.840 -0.062 0.000 0.817 350 L CB 0.539 42.605 42.059 0.011 0.000 1.106 350 L HN -0.242 nan 8.230 nan 0.000 0.479 351 P HA -0.163 nan 4.420 nan 0.000 0.217 351 P C 1.394 178.719 177.300 0.042 0.000 1.148 351 P CA 1.189 64.077 63.100 -0.353 0.000 0.834 351 P CB 0.213 31.520 31.700 -0.655 0.000 0.783 352 S N -1.516 114.247 115.700 0.105 0.000 2.419 352 S HA -0.149 4.348 4.470 0.044 0.000 0.233 352 S C 1.224 175.836 174.600 0.020 0.000 1.016 352 S CA 0.861 59.134 58.200 0.122 0.000 0.974 352 S CB -0.417 62.797 63.200 0.024 0.000 0.786 352 S HN 0.026 nan 8.310 nan 0.000 0.492 353 R N -1.034 119.394 120.500 -0.120 0.000 1.252 353 R HA -0.224 4.143 4.340 0.044 0.000 0.031 353 R C -0.515 175.324 176.300 -0.768 0.000 0.958 353 R CA 2.094 57.958 56.100 -0.393 0.000 1.965 353 R CB -1.473 28.701 30.300 -0.210 0.000 0.201 353 R HN 0.497 nan 8.270 nan 0.000 0.724 354 F N 0.506 120.439 119.950 -0.028 0.000 2.539 354 F HA 0.514 5.065 4.527 0.040 0.000 0.318 354 F C 0.168 175.911 175.800 -0.096 0.000 1.135 354 F CA -0.921 57.031 58.000 -0.081 0.000 0.915 354 F CB 1.609 40.595 39.000 -0.023 0.000 1.176 354 F HN -0.153 nan 8.300 nan 0.000 0.440 355 I N 4.052 124.551 120.570 -0.117 0.000 2.330 355 I HA 0.247 4.444 4.170 0.044 0.000 0.289 355 I C -0.808 174.943 176.117 -0.610 0.000 1.001 355 I CA -1.047 60.070 61.300 -0.305 0.000 1.193 355 I CB 0.757 38.558 38.000 -0.332 0.000 1.345 355 I HN 0.496 nan 8.210 nan 0.000 0.461 356 Y N 6.040 126.048 120.300 -0.485 0.000 2.330 356 Y HA 0.419 4.994 4.550 0.043 0.000 0.336 356 Y C -0.269 175.178 175.900 -0.756 0.000 1.036 356 Y CA -0.304 57.531 58.100 -0.442 0.000 1.125 356 Y CB 1.241 39.624 38.460 -0.128 0.000 1.194 356 Y HN 0.341 nan 8.280 nan 0.000 0.469 357 Y N 4.082 124.211 120.300 -0.286 0.000 2.361 357 Y HA 0.385 4.963 4.550 0.047 0.000 0.332 357 Y C -2.074 173.596 175.900 -0.384 0.000 1.101 357 Y CA -3.042 54.728 58.100 -0.550 0.000 1.137 357 Y CB 0.701 38.776 38.460 -0.642 0.000 1.207 357 Y HN 0.427 nan 8.280 nan 0.000 0.463 358 P HA -0.042 nan 4.420 nan 0.000 0.266 358 P C -0.408 176.734 177.300 -0.263 0.000 1.195 358 P CA 0.171 63.078 63.100 -0.322 0.000 0.768 358 P CB 0.990 32.444 31.700 -0.410 0.000 0.838 359 N N 0.785 119.314 118.700 -0.284 0.000 2.236 359 N HA 0.019 4.786 4.740 0.044 0.000 0.196 359 N C 0.510 176.002 175.510 -0.030 0.000 1.114 359 N CA 0.202 53.180 53.050 -0.119 0.000 0.859 359 N CB 0.156 38.595 38.487 -0.081 0.000 0.982 359 N HN 0.670 nan 8.380 nan 0.000 0.493 360 H N -1.455 117.564 119.070 -0.086 0.000 2.894 360 H HA 0.448 5.030 4.556 0.044 0.000 0.368 360 H C -0.886 174.278 175.328 -0.274 0.000 1.181 360 H CA -0.700 55.259 56.048 -0.147 0.000 1.146 360 H CB 0.941 30.608 29.762 -0.158 0.000 1.839 360 H HN -0.228 nan 8.280 nan 0.000 0.557 361 N N 0.407 119.021 118.700 -0.144 0.000 2.404 361 N HA 0.363 5.130 4.740 0.044 0.000 0.297 361 N C -1.118 174.256 175.510 -0.227 0.000 1.163 361 N CA -0.404 52.540 53.050 -0.175 0.000 0.864 361 N CB 2.025 40.498 38.487 -0.024 0.000 1.247 361 N HN 0.401 nan 8.380 nan 0.000 0.510 362 F N -0.040 119.998 119.950 0.147 0.000 2.507 362 F HA 0.220 4.772 4.527 0.043 0.000 0.325 362 F C 1.819 177.692 175.800 0.123 0.000 1.116 362 F CA -0.747 57.351 58.000 0.163 0.000 0.930 362 F CB 1.816 40.929 39.000 0.189 0.000 1.146 362 F HN 0.376 nan 8.300 nan 0.000 0.447 363 T N 0.769 115.513 114.554 0.317 0.000 2.653 363 T HA -0.316 4.060 4.350 0.044 0.000 0.267 363 T C 1.519 176.319 174.700 0.166 0.000 1.037 363 T CA 2.360 64.577 62.100 0.196 0.000 1.159 363 T CB -0.416 68.552 68.868 0.166 0.000 0.859 363 T HN 0.654 nan 8.240 nan 0.000 0.449 364 N N 1.109 119.924 118.700 0.192 0.000 2.575 364 N HA 0.195 4.961 4.740 0.044 0.000 0.192 364 N C 1.222 176.813 175.510 0.135 0.000 1.200 364 N CA 0.893 54.033 53.050 0.150 0.000 0.897 364 N CB -0.696 37.885 38.487 0.157 0.000 0.990 364 N HN 0.565 nan 8.380 nan 0.000 0.449 365 G N -1.446 107.442 108.800 0.148 0.000 2.159 365 G HA2 -0.278 3.708 3.960 0.044 0.000 0.256 365 G HA3 -0.278 3.708 3.960 0.044 0.000 0.256 365 G C -0.143 174.822 174.900 0.109 0.000 0.977 365 G CA 0.271 45.428 45.100 0.095 0.000 0.652 365 G HN 0.332 nan 8.290 nan 0.000 0.531 366 V N 0.542 120.577 119.914 0.201 0.000 2.715 366 V HA 0.607 4.754 4.120 0.044 0.000 0.299 366 V C 1.083 177.349 176.094 0.287 0.000 1.054 366 V CA 0.787 63.204 62.300 0.195 0.000 1.077 366 V CB 1.558 33.479 31.823 0.163 0.000 0.972 366 V HN 0.967 nan 8.190 nan 0.000 0.484 367 G N 2.973 111.902 108.800 0.215 0.000 2.662 367 G HA2 0.599 4.585 3.960 0.044 0.000 0.302 367 G HA3 0.599 4.585 3.960 0.044 0.000 0.302 367 G C -1.514 173.523 174.900 0.228 0.000 1.389 367 G CA -0.418 44.874 45.100 0.319 0.000 0.998 367 G HN 0.543 nan 8.290 nan 0.000 0.502 368 V N 3.490 123.466 119.914 0.103 0.000 2.384 368 V HA 0.487 4.633 4.120 0.044 0.000 0.287 368 V C 0.381 176.364 176.094 -0.184 0.000 1.020 368 V CA -0.643 61.630 62.300 -0.045 0.000 0.850 368 V CB 0.934 32.787 31.823 0.050 0.000 0.987 368 V HN 0.737 nan 8.190 nan 0.000 0.436 369 I N 3.229 123.607 120.570 -0.319 0.000 2.607 369 I HA 0.746 4.943 4.170 0.044 0.000 0.305 369 I C -0.732 175.163 176.117 -0.370 0.000 0.995 369 I CA -0.773 60.214 61.300 -0.522 0.000 1.148 369 I CB 1.882 39.420 38.000 -0.768 0.000 1.323 369 I HN 0.379 nan 8.210 nan 0.000 0.461 370 I N 3.361 123.687 120.570 -0.407 0.000 2.533 370 I HA 0.607 4.804 4.170 0.044 0.000 0.290 370 I C -0.196 175.743 176.117 -0.297 0.000 1.056 370 I CA -0.814 60.218 61.300 -0.446 0.000 1.057 370 I CB 2.055 39.773 38.000 -0.471 0.000 1.240 370 I HN 0.764 nan 8.210 nan 0.000 0.423 371 A N 5.526 128.151 122.820 -0.324 0.000 2.260 371 A HA 0.653 5.000 4.320 0.044 0.000 0.314 371 A C -1.479 176.065 177.584 -0.067 0.000 1.257 371 A CA -0.269 51.668 52.037 -0.167 0.000 0.871 371 A CB 0.506 19.362 19.000 -0.240 0.000 1.166 371 A HN 0.601 nan 8.150 nan 0.000 0.522 372 Y N 1.940 122.227 120.300 -0.021 0.000 2.346 372 Y HA 0.617 5.192 4.550 0.042 0.000 0.332 372 Y C -0.005 175.992 175.900 0.163 0.000 0.985 372 Y CA -1.058 57.049 58.100 0.011 0.000 1.112 372 Y CB 1.464 39.917 38.460 -0.012 0.000 1.170 372 Y HN 0.850 nan 8.280 nan 0.000 0.447 373 G N 5.924 114.786 108.800 0.104 0.000 2.574 373 G HA2 0.676 4.662 3.960 0.044 0.000 0.299 373 G HA3 0.676 4.662 3.960 0.044 0.000 0.299 373 G C -1.481 173.387 174.900 -0.054 0.000 1.298 373 G CA -1.011 44.090 45.100 0.001 0.000 0.952 373 G HN 0.862 nan 8.290 nan 0.000 0.477 374 I N -1.481 119.039 120.570 -0.083 0.000 3.002 374 I HA 0.897 5.094 4.170 0.044 0.000 0.310 374 I C 0.912 177.059 176.117 0.050 0.000 1.087 374 I CA -0.431 60.852 61.300 -0.029 0.000 1.017 374 I CB 1.857 39.763 38.000 -0.157 0.000 1.226 374 I HN 1.331 nan 8.210 nan 0.000 0.443 375 G N 2.762 111.618 108.800 0.093 0.000 2.582 375 G HA2 -0.303 3.684 3.960 0.044 0.000 0.288 375 G HA3 -0.303 3.684 3.960 0.044 0.000 0.288 375 G C 0.329 175.340 174.900 0.186 0.000 1.247 375 G CA 0.853 46.042 45.100 0.148 0.000 0.972 375 G HN 0.838 nan 8.290 nan 0.000 0.557 376 D N 0.727 121.254 120.400 0.210 0.000 2.221 376 D HA -0.024 4.642 4.640 0.044 0.000 0.204 376 D C 2.024 178.439 176.300 0.192 0.000 0.982 376 D CA 1.414 55.539 54.000 0.209 0.000 0.857 376 D CB -0.265 40.666 40.800 0.219 0.000 0.934 376 D HN 0.422 nan 8.370 nan 0.000 0.475 377 D N 0.122 120.617 120.400 0.158 0.000 2.144 377 D HA -0.080 4.587 4.640 0.044 0.000 0.200 377 D C 1.995 178.466 176.300 0.285 0.000 0.978 377 D CA 1.101 55.194 54.000 0.154 0.000 0.833 377 D CB -0.106 40.763 40.800 0.116 0.000 0.961 377 D HN 0.167 nan 8.370 nan 0.000 0.470 378 A N 1.194 124.178 122.820 0.273 0.000 1.897 378 A HA -0.137 4.209 4.320 0.044 0.000 0.215 378 A C 1.918 179.716 177.584 0.356 0.000 1.181 378 A CA 0.961 53.206 52.037 0.346 0.000 0.620 378 A CB -0.383 18.768 19.000 0.251 0.000 0.821 378 A HN 0.090 nan 8.150 nan 0.000 0.443 379 N N -0.708 118.149 118.700 0.261 0.000 2.348 379 N HA -0.160 4.606 4.740 0.044 0.000 0.185 379 N C 1.267 176.882 175.510 0.176 0.000 1.019 379 N CA 1.189 54.361 53.050 0.204 0.000 0.880 379 N CB -0.628 37.963 38.487 0.174 0.000 0.965 379 N HN 0.558 nan 8.380 nan 0.000 0.437 380 F N 0.756 120.724 119.950 0.029 0.000 2.126 380 F HA -0.160 4.397 4.527 0.050 0.000 0.299 380 F C 1.495 177.179 175.800 -0.193 0.000 1.096 380 F CA 1.419 59.330 58.000 -0.150 0.000 1.255 380 F CB -0.317 38.472 39.000 -0.352 0.000 0.997 380 F HN -0.089 nan 8.300 nan 0.000 0.479 381 F N -0.160 119.861 119.950 0.118 0.000 2.789 381 F HA 0.037 4.588 4.527 0.039 0.000 0.300 381 F C 2.349 178.135 175.800 -0.023 0.000 1.132 381 F CA 0.544 58.554 58.000 0.016 0.000 1.404 381 F CB -0.888 38.164 39.000 0.086 0.000 1.114 381 F HN 0.022 nan 8.300 nan 0.000 0.584 382 Q N 1.055 120.950 119.800 0.158 0.000 2.062 382 Q HA -0.264 4.102 4.340 0.044 0.000 0.209 382 Q C 2.196 178.224 176.000 0.047 0.000 0.996 382 Q CA 2.191 58.053 55.803 0.098 0.000 0.859 382 Q CB -0.208 28.578 28.738 0.081 0.000 0.920 382 Q HN 0.407 nan 8.270 nan 0.000 0.415 383 A N -0.388 122.429 122.820 -0.005 0.000 2.251 383 A HA 0.204 4.551 4.320 0.044 0.000 0.209 383 A C 0.460 178.035 177.584 -0.014 0.000 1.187 383 A CA -0.135 51.892 52.037 -0.017 0.000 0.823 383 A CB 0.043 19.015 19.000 -0.046 0.000 0.846 383 A HN 0.287 nan 8.150 nan 0.000 0.486 384 L N 1.510 122.730 121.223 -0.004 0.000 2.350 384 L HA 0.297 4.664 4.340 0.044 0.000 0.275 384 L C -0.017 176.892 176.870 0.066 0.000 1.099 384 L CA -1.005 53.846 54.840 0.018 0.000 0.808 384 L CB 0.802 42.872 42.059 0.019 0.000 1.149 384 L HN 0.377 nan 8.230 nan 0.000 0.442 385 D N 0.786 121.229 120.400 0.073 0.000 2.371 385 D HA -0.052 4.614 4.640 0.044 0.000 0.242 385 D C 0.933 177.324 176.300 0.153 0.000 1.218 385 D CA -0.296 53.772 54.000 0.114 0.000 0.945 385 D CB 0.552 41.418 40.800 0.110 0.000 1.137 385 D HN 0.405 nan 8.370 nan 0.000 0.464 386 F N 0.642 120.617 119.950 0.042 0.000 2.045 386 F HA -0.288 4.265 4.527 0.043 0.000 0.297 386 F C 2.137 177.978 175.800 0.068 0.000 1.114 386 F CA 2.050 60.076 58.000 0.044 0.000 1.207 386 F CB -0.070 38.954 39.000 0.039 0.000 0.964 386 F HN 0.160 nan 8.300 nan 0.000 0.486 387 K N 0.084 120.662 120.400 0.295 0.000 2.063 387 K HA -0.184 4.162 4.320 0.044 0.000 0.208 387 K C 1.744 178.418 176.600 0.122 0.000 1.048 387 K CA 1.785 58.197 56.287 0.210 0.000 0.928 387 K CB -0.926 31.696 32.500 0.203 0.000 0.713 387 K HN 0.367 nan 8.250 nan 0.000 0.442 388 D N 0.516 120.981 120.400 0.108 0.000 2.144 388 D HA -0.098 4.568 4.640 0.044 0.000 0.200 388 D C 2.082 178.456 176.300 0.124 0.000 0.978 388 D CA 0.700 54.761 54.000 0.102 0.000 0.833 388 D CB -0.381 40.465 40.800 0.078 0.000 0.961 388 D HN 0.125 nan 8.370 nan 0.000 0.470 389 C N 1.092 120.449 119.300 0.097 0.000 2.432 389 C HA -0.015 4.472 4.460 0.044 0.000 0.277 389 C C 2.928 177.921 174.990 0.006 0.000 1.249 389 C CA 0.788 59.894 59.018 0.147 0.000 1.725 389 C CB -0.960 26.757 27.740 -0.037 0.000 2.028 389 C HN 0.365 nan 8.230 nan 0.000 0.477 390 A N 0.433 123.170 122.820 -0.137 0.000 1.933 390 A HA -0.244 4.102 4.320 0.044 0.000 0.218 390 A C 1.814 179.413 177.584 0.026 0.000 1.175 390 A CA 2.327 54.249 52.037 -0.192 0.000 0.628 390 A CB -0.769 18.134 19.000 -0.161 0.000 0.814 390 A HN 0.598 nan 8.150 nan 0.000 0.444 391 D N -0.175 120.335 120.400 0.183 0.000 2.149 391 D HA -0.143 4.524 4.640 0.044 0.000 0.198 391 D C 1.676 178.101 176.300 0.209 0.000 0.990 391 D CA 1.463 55.621 54.000 0.263 0.000 0.839 391 D CB -0.219 40.686 40.800 0.174 0.000 0.948 391 D HN 0.508 nan 8.370 nan 0.000 0.460 392 I N -0.474 120.205 120.570 0.182 0.000 2.179 392 I HA -0.238 3.959 4.170 0.044 0.000 0.242 392 I C 2.362 178.560 176.117 0.136 0.000 1.088 392 I CA 0.585 62.002 61.300 0.196 0.000 1.357 392 I CB -0.171 38.039 38.000 0.350 0.000 1.051 392 I HN -0.011 nan 8.210 nan 0.000 0.409 393 V N 0.397 120.343 119.914 0.053 0.000 2.407 393 V HA -0.287 3.860 4.120 0.044 0.000 0.248 393 V C 2.229 178.281 176.094 -0.071 0.000 1.055 393 V CA 1.935 64.188 62.300 -0.078 0.000 1.049 393 V CB -0.729 30.931 31.823 -0.272 0.000 0.662 393 V HN 0.281 nan 8.190 nan 0.000 0.455 394 F N 0.501 120.456 119.950 0.008 0.000 2.102 394 F HA -0.167 4.387 4.527 0.045 0.000 0.298 394 F C 2.528 178.310 175.800 -0.029 0.000 1.105 394 F CA 1.571 59.565 58.000 -0.011 0.000 1.239 394 F CB -0.353 38.637 39.000 -0.016 0.000 0.991 394 F HN 0.200 nan 8.300 nan 0.000 0.474 395 N N 0.490 119.297 118.700 0.178 0.000 2.084 395 N HA -0.174 4.593 4.740 0.044 0.000 0.190 395 N C 1.351 176.861 175.510 -0.000 0.000 1.030 395 N CA 1.660 54.751 53.050 0.068 0.000 0.849 395 N CB -0.683 37.842 38.487 0.062 0.000 1.012 395 N HN 0.230 nan 8.380 nan 0.000 0.423 396 D N 0.811 121.212 120.400 0.001 0.000 2.117 396 D HA -0.072 4.594 4.640 0.044 0.000 0.197 396 D C 2.191 178.438 176.300 -0.088 0.000 0.987 396 D CA 0.498 54.460 54.000 -0.065 0.000 0.829 396 D CB -0.407 40.378 40.800 -0.026 0.000 0.961 396 D HN 0.230 nan 8.370 nan 0.000 0.460 397 L N 0.440 121.673 121.223 0.018 0.000 2.083 397 L HA -0.154 4.212 4.340 0.044 0.000 0.209 397 L C 2.538 179.443 176.870 0.059 0.000 1.083 397 L CA 0.854 55.774 54.840 0.132 0.000 0.752 397 L CB -0.418 41.774 42.059 0.221 0.000 0.899 397 L HN 0.009 nan 8.230 nan 0.000 0.433 398 S N 0.147 115.835 115.700 -0.019 0.000 2.370 398 S HA -0.161 4.336 4.470 0.044 0.000 0.226 398 S C 1.955 176.450 174.600 -0.175 0.000 1.033 398 S CA 1.319 59.470 58.200 -0.082 0.000 1.011 398 S CB -0.123 63.034 63.200 -0.072 0.000 0.852 398 S HN 0.315 nan 8.310 nan 0.000 0.457 399 L N 0.499 121.545 121.223 -0.295 0.000 2.095 399 L HA 0.057 4.423 4.340 0.044 0.000 0.204 399 L C 2.372 178.783 176.870 -0.765 0.000 1.080 399 L CA 0.946 55.449 54.840 -0.562 0.000 0.759 399 L CB -0.454 41.114 42.059 -0.818 0.000 0.914 399 L HN 0.329 nan 8.230 nan 0.000 0.439 400 I N -0.802 119.374 120.570 -0.657 0.000 2.226 400 I HA -0.292 3.905 4.170 0.044 0.000 0.245 400 I C 2.032 177.680 176.117 -0.783 0.000 1.100 400 I CA 1.241 62.172 61.300 -0.615 0.000 1.374 400 I CB -0.292 37.516 38.000 -0.319 0.000 1.057 400 I HN 0.347 nan 8.210 nan 0.000 0.413 401 H N 0.321 119.212 119.070 -0.299 0.000 2.586 401 H HA 0.169 4.751 4.556 0.043 0.000 0.273 401 H C 0.210 175.405 175.328 -0.222 0.000 0.997 401 H CA 0.001 55.926 56.048 -0.205 0.000 1.177 401 H CB 0.368 30.246 29.762 0.192 0.000 1.471 401 H HN 0.343 nan 8.280 nan 0.000 0.538 402 Q N 0.902 120.572 119.800 -0.216 0.000 2.443 402 Q HA -0.173 4.193 4.340 0.044 0.000 0.337 402 Q C -1.111 174.848 176.000 -0.068 0.000 1.401 402 Q CA 0.220 55.927 55.803 -0.161 0.000 0.943 402 Q CB -1.091 27.535 28.738 -0.187 0.000 1.177 402 Q HN 0.419 nan 8.270 nan 0.000 0.394 403 L N 0.036 121.220 121.223 -0.065 0.000 2.388 403 L HA 0.620 4.986 4.340 0.044 0.000 0.264 403 L C -2.228 174.579 176.870 -0.106 0.000 0.998 403 L CA -2.425 52.376 54.840 -0.066 0.000 0.817 403 L CB 1.947 43.955 42.059 -0.086 0.000 1.338 403 L HN -0.024 nan 8.230 nan 0.000 0.414 404 P HA 0.023 nan 4.420 nan 0.000 0.265 404 P C 0.128 177.322 177.300 -0.176 0.000 1.193 404 P CA -0.064 62.958 63.100 -0.130 0.000 0.765 404 P CB 0.735 32.358 31.700 -0.128 0.000 0.823 405 K N 3.895 124.205 120.400 -0.150 0.000 2.074 405 K HA -0.233 4.113 4.320 0.044 0.000 0.209 405 K C 1.411 177.850 176.600 -0.269 0.000 1.048 405 K CA 1.710 57.898 56.287 -0.165 0.000 0.926 405 K CB -0.069 32.358 32.500 -0.121 0.000 0.713 405 K HN 0.266 nan 8.250 nan 0.000 0.444 406 K N 0.324 120.573 120.400 -0.252 0.000 2.103 406 K HA -0.170 4.177 4.320 0.044 0.000 0.207 406 K C 1.733 178.103 176.600 -0.383 0.000 1.048 406 K CA 1.811 57.925 56.287 -0.288 0.000 0.930 406 K CB -0.113 32.261 32.500 -0.210 0.000 0.716 406 K HN 0.248 nan 8.250 nan 0.000 0.444 407 D N 0.874 121.012 120.400 -0.437 0.000 2.097 407 D HA -0.120 4.547 4.640 0.044 0.000 0.195 407 D C 1.849 177.515 176.300 -1.057 0.000 0.989 407 D CA 1.025 54.562 54.000 -0.772 0.000 0.827 407 D CB -0.193 40.230 40.800 -0.629 0.000 0.966 407 D HN 0.165 nan 8.370 nan 0.000 0.456 408 I N 0.596 120.805 120.570 -0.603 0.000 2.286 408 I HA -0.258 3.939 4.170 0.044 0.000 0.248 408 I C 2.123 178.164 176.117 -0.127 0.000 1.115 408 I CA 1.049 62.167 61.300 -0.302 0.000 1.392 408 I CB -0.317 37.603 38.000 -0.133 0.000 1.065 408 I HN 0.000 nan 8.210 nan 0.000 0.418 409 Q N -0.327 119.223 119.800 -0.418 0.000 2.437 409 Q HA -0.142 4.225 4.340 0.044 0.000 0.210 409 Q C 2.253 178.127 176.000 -0.210 0.000 0.972 409 Q CA 1.244 56.716 55.803 -0.551 0.000 0.903 409 Q CB 0.020 28.308 28.738 -0.750 0.000 0.967 409 Q HN 0.384 nan 8.270 nan 0.000 0.486 410 S N -0.799 114.752 115.700 -0.249 0.000 2.460 410 S HA 0.009 4.506 4.470 0.044 0.000 0.226 410 S C 1.333 175.986 174.600 0.087 0.000 1.057 410 S CA 0.069 58.189 58.200 -0.134 0.000 0.948 410 S CB 0.087 63.131 63.200 -0.259 0.000 0.822 410 S HN 0.270 nan 8.310 nan 0.000 0.512 411 F N 2.173 122.173 119.950 0.083 0.000 2.234 411 F HA 0.223 4.776 4.527 0.044 0.000 0.299 411 F C 1.368 177.301 175.800 0.222 0.000 1.087 411 F CA -0.758 57.329 58.000 0.145 0.000 1.340 411 F CB -1.050 38.062 39.000 0.187 0.000 1.031 411 F HN 0.248 nan 8.300 nan 0.000 0.500 412 c N -1.946 116.926 118.600 0.454 0.000 3.044 412 c HA 0.728 5.325 4.570 0.044 0.000 0.315 412 c C -0.810 173.571 174.090 0.485 0.000 1.320 412 c CA -1.239 55.340 56.329 0.416 0.000 1.582 412 c CB 1.374 44.139 42.510 0.425 0.000 2.039 412 c HN 0.364 nan 8.230 nan 0.000 0.466 413 Y N -1.826 118.641 120.300 0.278 0.000 2.544 413 Y HA 0.674 5.250 4.550 0.044 0.000 0.342 413 Y C -3.336 172.686 175.900 0.203 0.000 1.062 413 Y CA -2.887 55.395 58.100 0.302 0.000 1.023 413 Y CB 0.540 39.129 38.460 0.215 0.000 1.308 413 Y HN 0.408 nan 8.280 nan 0.000 0.457 414 P HA 0.136 nan 4.420 nan 0.000 0.269 414 P C 0.321 177.783 177.300 0.270 0.000 1.263 414 P CA 0.277 63.407 63.100 0.050 0.000 0.813 414 P CB 1.182 32.888 31.700 0.010 0.000 0.868 415 S N 2.279 117.958 115.700 -0.035 0.000 2.441 415 S HA 0.172 4.668 4.470 0.044 0.000 0.224 415 S C 0.589 175.302 174.600 0.187 0.000 1.043 415 S CA 0.303 58.573 58.200 0.117 0.000 0.948 415 S CB -0.049 63.056 63.200 -0.158 0.000 0.810 415 S HN 0.218 nan 8.310 nan 0.000 0.504 416 V N 1.135 121.126 119.914 0.128 0.000 3.048 416 V HA 0.543 4.689 4.120 0.044 0.000 0.303 416 V C -1.325 174.889 176.094 0.200 0.000 1.214 416 V CA -0.845 61.481 62.300 0.044 0.000 0.984 416 V CB 1.984 33.547 31.823 -0.433 0.000 1.054 416 V HN 0.374 nan 8.190 nan 0.000 0.430 417 I N 2.772 123.458 120.570 0.193 0.000 2.512 417 I HA 0.487 4.684 4.170 0.044 0.000 0.287 417 I C -1.115 175.016 176.117 0.024 0.000 1.069 417 I CA -0.536 60.802 61.300 0.063 0.000 1.056 417 I CB 2.212 40.152 38.000 -0.100 0.000 1.229 417 I HN 0.642 nan 8.210 nan 0.000 0.429 418 Q N 6.521 126.318 119.800 -0.006 0.000 2.381 418 Q HA 0.359 4.725 4.340 0.044 0.000 0.263 418 Q C -1.345 174.502 176.000 -0.255 0.000 1.030 418 Q CA -0.433 55.240 55.803 -0.216 0.000 0.772 418 Q CB 1.223 29.796 28.738 -0.274 0.000 1.232 418 Q HN 0.390 nan 8.270 nan 0.000 0.476 419 K N 3.766 124.026 120.400 -0.234 0.000 2.300 419 K HA 0.142 4.489 4.320 0.044 0.000 0.264 419 K C -0.148 176.378 176.600 -0.122 0.000 1.083 419 K CA -0.226 56.007 56.287 -0.090 0.000 0.958 419 K CB 0.488 32.980 32.500 -0.014 0.000 1.318 419 K HN 0.710 nan 8.250 nan 0.000 0.448 420 W N 0.987 122.330 121.300 0.071 0.000 2.364 420 W HA -0.179 4.502 4.660 0.036 0.000 0.281 420 W C 1.891 178.435 176.519 0.041 0.000 1.219 420 W CA 0.810 58.191 57.345 0.060 0.000 1.220 420 W CB 0.091 29.593 29.460 0.070 0.000 1.127 420 W HN 0.466 nan 8.180 nan 0.000 0.556 421 S N 0.238 116.078 115.700 0.233 0.000 2.442 421 S HA -0.070 4.427 4.470 0.044 0.000 0.236 421 S C 1.460 176.104 174.600 0.072 0.000 1.007 421 S CA 0.747 59.030 58.200 0.138 0.000 0.965 421 S CB -0.283 62.989 63.200 0.120 0.000 0.773 421 S HN 0.219 nan 8.310 nan 0.000 0.504 422 L N 0.907 122.158 121.223 0.046 0.000 2.667 422 L HA 0.257 4.623 4.340 0.044 0.000 0.232 422 L C 0.203 177.054 176.870 -0.033 0.000 1.138 422 L CA -0.156 54.682 54.840 -0.003 0.000 0.921 422 L CB -0.234 41.816 42.059 -0.015 0.000 1.180 422 L HN 0.114 nan 8.230 nan 0.000 0.487 423 D N 1.265 121.668 120.400 0.006 0.000 2.371 423 D HA -0.016 4.650 4.640 0.044 0.000 0.256 423 D C 1.482 177.758 176.300 -0.040 0.000 1.193 423 D CA -0.085 53.915 54.000 -0.000 0.000 0.881 423 D CB 0.985 41.894 40.800 0.181 0.000 1.143 423 D HN 0.178 nan 8.370 nan 0.000 0.473 424 K N 2.364 122.657 120.400 -0.177 0.000 2.286 424 K HA -0.249 4.098 4.320 0.044 0.000 0.203 424 K C 0.703 177.075 176.600 -0.381 0.000 1.045 424 K CA 1.424 57.510 56.287 -0.335 0.000 0.935 424 K CB -0.198 31.975 32.500 -0.544 0.000 0.737 424 K HN 0.578 nan 8.250 nan 0.000 0.460 425 Y N 0.081 120.415 120.300 0.057 0.000 2.500 425 Y HA 0.268 4.846 4.550 0.048 0.000 0.284 425 Y C 2.701 178.632 175.900 0.053 0.000 1.118 425 Y CA 0.042 58.177 58.100 0.058 0.000 1.241 425 Y CB 0.188 38.694 38.460 0.076 0.000 1.171 425 Y HN 0.121 nan 8.280 nan 0.000 0.540 426 A N 0.302 123.255 122.820 0.222 0.000 1.897 426 A HA -0.119 4.228 4.320 0.044 0.000 0.215 426 A C 1.533 179.105 177.584 -0.020 0.000 1.181 426 A CA 1.616 53.734 52.037 0.134 0.000 0.620 426 A CB -0.621 18.515 19.000 0.226 0.000 0.821 426 A HN 0.541 nan 8.150 nan 0.000 0.443 427 M N -2.973 116.621 119.600 -0.010 0.000 2.856 427 M HA -0.203 4.304 4.480 0.044 0.000 0.189 427 M C 0.416 176.609 176.300 -0.178 0.000 0.612 427 M CA 0.730 55.976 55.300 -0.089 0.000 0.673 427 M CB -2.162 30.367 32.600 -0.118 0.000 2.440 427 M HN 0.890 nan 8.290 nan 0.000 0.437 428 G N -1.723 106.996 108.800 -0.135 0.000 2.489 428 G HA2 0.548 4.535 3.960 0.044 0.000 0.291 428 G HA3 0.548 4.535 3.960 0.044 0.000 0.291 428 G C 0.006 174.972 174.900 0.111 0.000 1.487 428 G CA -0.296 44.722 45.100 -0.138 0.000 0.795 428 G HN 0.258 nan 8.290 nan 0.000 0.513 429 G N -0.875 108.063 108.800 0.230 0.000 2.670 429 G HA2 0.433 4.420 3.960 0.044 0.000 0.219 429 G HA3 0.433 4.420 3.960 0.044 0.000 0.219 429 G C 0.309 175.304 174.900 0.158 0.000 1.342 429 G CA 0.290 45.523 45.100 0.223 0.000 0.902 429 G HN 0.693 nan 8.290 nan 0.000 0.553 430 I N 0.874 121.528 120.570 0.141 0.000 2.498 430 I HA 0.245 4.441 4.170 0.044 0.000 0.290 430 I C -0.478 175.546 176.117 -0.155 0.000 1.032 430 I CA -0.644 60.658 61.300 0.002 0.000 1.073 430 I CB 2.417 40.369 38.000 -0.079 0.000 1.251 430 I HN -0.018 nan 8.210 nan 0.000 0.426 431 T N 4.064 118.357 114.554 -0.436 0.000 2.822 431 T HA 0.079 4.456 4.350 0.044 0.000 0.288 431 T C 0.050 174.472 174.700 -0.464 0.000 0.991 431 T CA 0.454 62.013 62.100 -0.902 0.000 1.176 431 T CB -0.167 68.179 68.868 -0.870 0.000 0.951 431 T HN 0.580 nan 8.240 nan 0.000 0.526 432 T N 4.692 119.087 114.554 -0.264 0.000 3.089 432 T HA 0.313 4.689 4.350 0.044 0.000 0.340 432 T C -0.032 174.867 174.700 0.330 0.000 1.008 432 T CA -0.538 61.610 62.100 0.080 0.000 1.096 432 T CB 0.113 69.082 68.868 0.168 0.000 1.024 432 T HN 0.473 nan 8.240 nan 0.000 0.477 433 F N 3.221 123.168 119.950 -0.005 0.000 2.578 433 F HA 0.190 4.741 4.527 0.041 0.000 0.376 433 F C 1.819 177.717 175.800 0.163 0.000 1.085 433 F CA -0.642 57.353 58.000 -0.009 0.000 1.260 433 F CB 0.773 39.545 39.000 -0.380 0.000 1.095 433 F HN 0.427 nan 8.300 nan 0.000 0.573 434 T N 1.800 116.541 114.554 0.312 0.000 2.881 434 T HA 0.307 4.684 4.350 0.044 0.000 0.278 434 T C -2.654 172.216 174.700 0.282 0.000 0.982 434 T CA -2.429 59.829 62.100 0.264 0.000 0.989 434 T CB 1.169 70.129 68.868 0.154 0.000 1.058 434 T HN 0.172 nan 8.240 nan 0.000 0.529 435 P HA 0.011 nan 4.420 nan 0.000 0.263 435 P C -0.303 177.193 177.300 0.325 0.000 1.168 435 P CA 0.607 63.868 63.100 0.269 0.000 0.759 435 P CB -0.258 31.606 31.700 0.274 0.000 0.782 436 Y N -0.401 119.969 120.300 0.117 0.000 4.779 436 Y HA -0.333 4.242 4.550 0.042 0.000 0.284 436 Y C 1.884 177.748 175.900 -0.059 0.000 0.973 436 Y CA 1.427 59.532 58.100 0.010 0.000 1.792 436 Y CB -2.164 36.230 38.460 -0.111 0.000 1.120 436 Y HN 0.462 nan 8.280 nan 0.000 0.450 437 Q N -0.548 119.300 119.800 0.079 0.000 2.167 437 Q HA -0.116 4.251 4.340 0.044 0.000 0.202 437 Q C 1.627 177.531 176.000 -0.159 0.000 0.970 437 Q CA 1.686 57.375 55.803 -0.190 0.000 0.855 437 Q CB -0.282 28.247 28.738 -0.347 0.000 0.911 437 Q HN 0.611 nan 8.270 nan 0.000 0.438 438 F N 1.821 121.914 119.950 0.237 0.000 2.075 438 F HA -0.236 4.319 4.527 0.046 0.000 0.297 438 F C 2.731 178.647 175.800 0.192 0.000 1.113 438 F CA 1.739 59.977 58.000 0.397 0.000 1.218 438 F CB -0.189 39.023 39.000 0.353 0.000 0.984 438 F HN 0.148 nan 8.300 nan 0.000 0.472 439 Q N -1.119 118.862 119.800 0.302 0.000 2.230 439 Q HA -0.217 4.149 4.340 0.044 0.000 0.202 439 Q C 1.619 177.692 176.000 0.121 0.000 0.963 439 Q CA 1.804 57.715 55.803 0.179 0.000 0.866 439 Q CB -0.656 28.156 28.738 0.123 0.000 0.931 439 Q HN 0.469 nan 8.270 nan 0.000 0.452 440 H N -0.438 118.550 119.070 -0.137 0.000 2.486 440 H HA 0.175 4.757 4.556 0.043 0.000 0.287 440 H C 0.673 175.796 175.328 -0.342 0.000 1.010 440 H CA 0.823 56.655 56.048 -0.359 0.000 1.324 440 H CB 0.208 29.544 29.762 -0.710 0.000 1.446 440 H HN 0.285 nan 8.280 nan 0.000 0.537 441 F N -1.490 118.379 119.950 -0.135 0.000 2.727 441 F HA 0.138 4.690 4.527 0.043 0.000 0.302 441 F C 2.336 178.089 175.800 -0.079 0.000 1.107 441 F CA -0.059 57.798 58.000 -0.239 0.000 1.277 441 F CB 0.437 39.206 39.000 -0.385 0.000 1.079 441 F HN -0.016 nan 8.300 nan 0.000 0.594 442 S N 0.665 116.503 115.700 0.230 0.000 2.359 442 S HA -0.224 4.272 4.470 0.044 0.000 0.222 442 S C 1.483 176.195 174.600 0.187 0.000 1.038 442 S CA 1.951 60.328 58.200 0.295 0.000 1.051 442 S CB -0.325 63.087 63.200 0.354 0.000 0.944 442 S HN 0.332 nan 8.310 nan 0.000 0.433 443 D N 0.978 121.457 120.400 0.132 0.000 2.097 443 D HA -0.026 4.641 4.640 0.044 0.000 0.195 443 D C -0.641 175.689 176.300 0.051 0.000 0.989 443 D CA 1.115 55.167 54.000 0.087 0.000 0.827 443 D CB -1.804 39.037 40.800 0.068 0.000 0.966 443 D HN 0.318 nan 8.370 nan 0.000 0.456 444 P HA -0.058 nan 4.420 nan 0.000 0.218 444 P C 1.690 178.955 177.300 -0.058 0.000 1.148 444 P CA 0.750 63.836 63.100 -0.023 0.000 0.822 444 P CB 0.022 31.706 31.700 -0.027 0.000 0.784 445 L N -1.174 120.056 121.223 0.013 0.000 2.072 445 L HA -0.098 4.268 4.340 0.044 0.000 0.205 445 L C 2.393 179.277 176.870 0.023 0.000 1.079 445 L CA 2.068 56.938 54.840 0.050 0.000 0.752 445 L CB -1.475 40.721 42.059 0.229 0.000 0.906 445 L HN 0.125 nan 8.230 nan 0.000 0.436 446 T N -2.473 112.114 114.554 0.055 0.000 3.043 446 T HA 0.199 4.576 4.350 0.044 0.000 0.263 446 T C 0.992 175.743 174.700 0.084 0.000 1.094 446 T CA 0.263 62.404 62.100 0.068 0.000 1.127 446 T CB -0.224 68.693 68.868 0.082 0.000 0.905 446 T HN 0.188 nan 8.240 nan 0.000 0.490 447 A N 2.437 125.281 122.820 0.040 0.000 2.531 447 A HA 0.512 4.858 4.320 0.044 0.000 0.236 447 A C 0.851 178.474 177.584 0.064 0.000 1.062 447 A CA -0.197 51.859 52.037 0.032 0.000 0.760 447 A CB -0.049 18.948 19.000 -0.005 0.000 0.995 447 A HN 0.725 nan 8.150 nan 0.000 0.501 448 S N 1.426 117.123 115.700 -0.006 0.000 2.672 448 S HA 0.559 5.056 4.470 0.044 0.000 0.276 448 S C -0.296 174.256 174.600 -0.080 0.000 1.207 448 S CA -0.555 57.564 58.200 -0.134 0.000 1.002 448 S CB 1.254 64.033 63.200 -0.702 0.000 0.998 448 S HN 0.802 nan 8.310 nan 0.000 0.542 449 Q N 0.567 120.336 119.800 -0.052 0.000 2.414 449 Q HA 0.494 4.860 4.340 0.044 0.000 0.256 449 Q C 0.565 176.551 176.000 -0.023 0.000 0.974 449 Q CA 0.164 55.964 55.803 -0.007 0.000 0.723 449 Q CB 0.369 29.142 28.738 0.059 0.000 1.281 449 Q HN 1.317 nan 8.270 nan 0.000 0.470 450 G N 3.308 112.089 108.800 -0.032 0.000 2.565 450 G HA2 -0.383 3.604 3.960 0.044 0.000 0.295 450 G HA3 -0.383 3.604 3.960 0.044 0.000 0.295 450 G C 0.290 175.212 174.900 0.036 0.000 1.165 450 G CA 0.329 45.437 45.100 0.014 0.000 0.977 450 G HN 0.665 nan 8.290 nan 0.000 0.546 451 R N 0.121 120.681 120.500 0.101 0.000 2.388 451 R HA 0.404 4.771 4.340 0.044 0.000 0.247 451 R C 0.430 176.911 176.300 0.303 0.000 0.931 451 R CA -0.005 56.260 56.100 0.274 0.000 1.082 451 R CB 0.130 30.472 30.300 0.069 0.000 1.135 451 R HN 0.420 nan 8.270 nan 0.000 0.525 452 I N 1.314 121.933 120.570 0.081 0.000 2.312 452 I HA 0.231 4.427 4.170 0.044 0.000 0.290 452 I C -0.637 175.365 176.117 -0.192 0.000 1.008 452 I CA -0.759 60.547 61.300 0.011 0.000 1.226 452 I CB 0.669 38.681 38.000 0.020 0.000 1.371 452 I HN -0.085 nan 8.210 nan 0.000 0.468 453 Y N 5.600 125.774 120.300 -0.210 0.000 2.534 453 Y HA 0.622 5.199 4.550 0.044 0.000 0.329 453 Y C -0.437 175.199 175.900 -0.440 0.000 1.154 453 Y CA -0.854 57.160 58.100 -0.143 0.000 1.192 453 Y CB 1.409 39.835 38.460 -0.056 0.000 1.275 453 Y HN 0.263 nan 8.280 nan 0.000 0.491 454 F N 0.381 120.431 119.950 0.167 0.000 2.565 454 F HA 0.805 5.359 4.527 0.044 0.000 0.313 454 F C -0.079 175.732 175.800 0.019 0.000 1.091 454 F CA -0.860 57.200 58.000 0.101 0.000 0.915 454 F CB 1.893 40.947 39.000 0.092 0.000 1.208 454 F HN 0.530 nan 8.300 nan 0.000 0.453 455 A N 1.236 124.133 122.820 0.127 0.000 2.569 455 A HA 1.000 5.347 4.320 0.044 0.000 0.290 455 A C -0.391 177.146 177.584 -0.078 0.000 1.136 455 A CA -0.363 51.668 52.037 -0.010 0.000 0.710 455 A CB 1.719 20.718 19.000 -0.001 0.000 1.303 455 A HN 1.734 nan 8.150 nan 0.000 0.413 456 G N -0.847 107.882 108.800 -0.118 0.000 2.334 456 G HA2 0.274 4.260 3.960 0.044 0.000 0.566 456 G HA3 0.274 4.260 3.960 0.044 0.000 0.566 456 G C 0.307 175.138 174.900 -0.116 0.000 1.413 456 G CA 0.379 45.436 45.100 -0.072 0.000 0.993 456 G HN 1.169 nan 8.290 nan 0.000 0.642 457 E N -0.710 119.504 120.200 0.023 0.000 2.086 457 E HA -0.299 4.078 4.350 0.044 0.000 0.200 457 E C 2.087 178.736 176.600 0.081 0.000 1.012 457 E CA 2.617 59.056 56.400 0.065 0.000 0.812 457 E CB -0.312 29.442 29.700 0.090 0.000 0.743 457 E HN 0.858 nan 8.360 nan 0.000 0.453 458 Y N 0.233 120.564 120.300 0.052 0.000 2.483 458 Y HA -0.045 4.533 4.550 0.047 0.000 0.291 458 Y C 2.149 178.138 175.900 0.148 0.000 1.143 458 Y CA 1.341 59.443 58.100 0.003 0.000 1.289 458 Y CB -0.803 37.691 38.460 0.057 0.000 0.983 458 Y HN 0.058 nan 8.280 nan 0.000 0.556 459 T N -2.131 112.173 114.554 -0.416 0.000 3.060 459 T HA 0.535 4.912 4.350 0.044 0.000 0.249 459 T C 0.886 175.561 174.700 -0.043 0.000 1.079 459 T CA 0.022 61.984 62.100 -0.229 0.000 1.013 459 T CB -0.483 68.178 68.868 -0.346 0.000 0.975 459 T HN 0.469 nan 8.240 nan 0.000 0.518 460 A N 1.264 124.076 122.820 -0.014 0.000 2.332 460 A HA 0.415 4.762 4.320 0.044 0.000 0.258 460 A C 1.368 178.941 177.584 -0.018 0.000 1.087 460 A CA -0.488 51.544 52.037 -0.010 0.000 0.802 460 A CB 0.357 19.359 19.000 0.002 0.000 1.042 460 A HN 0.426 nan 8.150 nan 0.000 0.489 461 Q N -0.350 119.427 119.800 -0.039 0.000 2.224 461 Q HA 0.027 4.394 4.340 0.044 0.000 0.203 461 Q C 0.595 176.500 176.000 -0.159 0.000 0.970 461 Q CA 1.282 57.056 55.803 -0.047 0.000 0.865 461 Q CB -0.049 28.679 28.738 -0.017 0.000 0.922 461 Q HN 0.792 nan 8.270 nan 0.000 0.445 462 A N 0.457 123.177 122.820 -0.167 0.000 2.365 462 A HA 0.523 4.870 4.320 0.044 0.000 0.318 462 A C -1.271 176.239 177.584 -0.124 0.000 1.091 462 A CA -0.796 51.128 52.037 -0.188 0.000 0.763 462 A CB 0.815 19.812 19.000 -0.005 0.000 1.248 462 A HN 0.140 nan 8.150 nan 0.000 0.442 463 H N 0.207 119.309 119.070 0.053 0.000 2.463 463 H HA 0.551 5.135 4.556 0.047 0.000 0.332 463 H C 1.080 176.453 175.328 0.074 0.000 1.127 463 H CA 0.186 56.234 56.048 0.001 0.000 1.238 463 H CB 1.573 31.248 29.762 -0.144 0.000 1.478 463 H HN 1.521 nan 8.280 nan 0.000 0.499 464 G N 1.550 110.370 108.800 0.034 0.000 2.132 464 G HA2 -0.219 3.767 3.960 0.044 0.000 0.234 464 G HA3 -0.219 3.767 3.960 0.044 0.000 0.234 464 G C -0.739 173.748 174.900 -0.687 0.000 0.989 464 G CA -0.306 44.604 45.100 -0.316 0.000 0.676 464 G HN 0.572 nan 8.290 nan 0.000 0.522 465 W N -0.985 120.372 121.300 0.096 0.000 2.900 465 W HA 0.663 5.353 4.660 0.049 0.000 0.336 465 W C 1.228 177.757 176.519 0.016 0.000 1.064 465 W CA -1.179 56.221 57.345 0.091 0.000 1.237 465 W CB 0.729 30.270 29.460 0.135 0.000 1.391 465 W HN -0.056 nan 8.180 nan 0.000 0.468 466 I N 1.025 121.745 120.570 0.249 0.000 2.194 466 I HA -0.335 3.861 4.170 0.044 0.000 0.246 466 I C 2.018 178.198 176.117 0.104 0.000 1.093 466 I CA 1.889 63.268 61.300 0.133 0.000 1.355 466 I CB -0.209 37.867 38.000 0.126 0.000 1.046 466 I HN 0.576 nan 8.210 nan 0.000 0.413 467 D N 0.215 120.675 120.400 0.099 0.000 2.106 467 D HA -0.238 4.429 4.640 0.044 0.000 0.191 467 D C 2.316 178.594 176.300 -0.036 0.000 0.997 467 D CA 1.874 55.856 54.000 -0.031 0.000 0.834 467 D CB 0.006 40.577 40.800 -0.383 0.000 0.956 467 D HN 0.100 nan 8.370 nan 0.000 0.448 468 S N -1.670 113.994 115.700 -0.059 0.000 2.383 468 S HA -0.132 4.365 4.470 0.044 0.000 0.227 468 S C 1.956 176.546 174.600 -0.017 0.000 1.026 468 S CA 1.743 59.926 58.200 -0.028 0.000 0.981 468 S CB -0.540 62.661 63.200 0.000 0.000 0.818 468 S HN 0.335 nan 8.310 nan 0.000 0.472 469 T N 2.365 116.929 114.554 0.016 0.000 2.746 469 T HA 0.010 4.386 4.350 0.044 0.000 0.267 469 T C 1.685 176.366 174.700 -0.032 0.000 1.039 469 T CA 1.462 63.560 62.100 -0.002 0.000 1.142 469 T CB -0.340 68.538 68.868 0.017 0.000 0.866 469 T HN 0.381 nan 8.240 nan 0.000 0.444 470 I N 0.713 121.270 120.570 -0.020 0.000 2.163 470 I HA -0.194 4.003 4.170 0.044 0.000 0.243 470 I C 2.687 178.764 176.117 -0.066 0.000 1.085 470 I CA 1.328 62.608 61.300 -0.033 0.000 1.347 470 I CB -0.320 37.685 38.000 0.008 0.000 1.044 470 I HN 0.183 nan 8.210 nan 0.000 0.408 471 K N 0.826 121.167 120.400 -0.099 0.000 2.103 471 K HA -0.220 4.126 4.320 0.044 0.000 0.207 471 K C 2.326 178.701 176.600 -0.375 0.000 1.048 471 K CA 1.926 58.050 56.287 -0.273 0.000 0.930 471 K CB -0.063 32.286 32.500 -0.251 0.000 0.716 471 K HN 0.417 nan 8.250 nan 0.000 0.444 472 S N -0.645 114.927 115.700 -0.213 0.000 2.382 472 S HA -0.088 4.409 4.470 0.044 0.000 0.228 472 S C 2.111 176.634 174.600 -0.128 0.000 1.027 472 S CA 1.167 59.264 58.200 -0.172 0.000 0.991 472 S CB -0.528 62.605 63.200 -0.111 0.000 0.823 472 S HN 0.418 nan 8.310 nan 0.000 0.469 473 G N 1.742 110.484 108.800 -0.097 0.000 2.394 473 G HA2 0.065 4.052 3.960 0.044 0.000 0.215 473 G HA3 0.065 4.052 3.960 0.044 0.000 0.215 473 G C 1.478 176.357 174.900 -0.035 0.000 1.165 473 G CA 0.697 45.766 45.100 -0.052 0.000 0.784 473 G HN 0.504 nan 8.290 nan 0.000 0.535 474 L N -0.123 121.073 121.223 -0.046 0.000 2.093 474 L HA -0.006 4.361 4.340 0.044 0.000 0.208 474 L C 2.895 179.841 176.870 0.127 0.000 1.085 474 L CA 1.055 55.937 54.840 0.070 0.000 0.755 474 L CB -0.378 41.774 42.059 0.156 0.000 0.904 474 L HN 0.203 nan 8.230 nan 0.000 0.435 475 R N 0.619 121.053 120.500 -0.110 0.000 2.073 475 R HA -0.173 4.193 4.340 0.044 0.000 0.234 475 R C 2.361 178.719 176.300 0.096 0.000 1.134 475 R CA 1.555 57.679 56.100 0.039 0.000 0.952 475 R CB -0.230 29.956 30.300 -0.189 0.000 0.850 475 R HN 0.308 nan 8.270 nan 0.000 0.433 476 A N 0.731 123.566 122.820 0.025 0.000 1.902 476 A HA -0.078 4.268 4.320 0.044 0.000 0.217 476 A C 2.359 179.866 177.584 -0.129 0.000 1.181 476 A CA 1.633 53.675 52.037 0.008 0.000 0.623 476 A CB -0.738 18.278 19.000 0.027 0.000 0.818 476 A HN 0.560 nan 8.150 nan 0.000 0.443 477 A N -0.280 122.493 122.820 -0.078 0.000 1.877 477 A HA -0.183 4.164 4.320 0.044 0.000 0.216 477 A C 2.277 179.791 177.584 -0.117 0.000 1.186 477 A CA 1.754 53.721 52.037 -0.116 0.000 0.620 477 A CB -0.535 18.452 19.000 -0.021 0.000 0.822 477 A HN 0.547 nan 8.150 nan 0.000 0.443 478 R N -0.400 120.104 120.500 0.007 0.000 2.081 478 R HA -0.176 4.191 4.340 0.044 0.000 0.235 478 R C 1.397 177.661 176.300 -0.060 0.000 1.131 478 R CA 1.906 58.015 56.100 0.015 0.000 0.960 478 R CB -0.402 29.975 30.300 0.128 0.000 0.856 478 R HN 0.457 nan 8.270 nan 0.000 0.436 479 D N -0.078 120.285 120.400 -0.062 0.000 2.117 479 D HA -0.127 4.540 4.640 0.044 0.000 0.197 479 D C 1.942 178.042 176.300 -0.333 0.000 0.987 479 D CA 1.094 55.044 54.000 -0.083 0.000 0.829 479 D CB -0.148 40.702 40.800 0.084 0.000 0.961 479 D HN 0.102 nan 8.370 nan 0.000 0.460 480 V N 1.176 120.707 119.914 -0.638 0.000 2.358 480 V HA -0.219 3.927 4.120 0.044 0.000 0.246 480 V C 2.198 177.913 176.094 -0.632 0.000 1.047 480 V CA 1.512 63.245 62.300 -0.944 0.000 1.035 480 V CB -0.531 30.704 31.823 -0.978 0.000 0.658 480 V HN 0.136 nan 8.190 nan 0.000 0.452 481 N N 0.306 118.775 118.700 -0.385 0.000 2.120 481 N HA -0.139 4.628 4.740 0.044 0.000 0.188 481 N C 1.673 177.126 175.510 -0.095 0.000 1.024 481 N CA 1.614 54.555 53.050 -0.181 0.000 0.852 481 N CB -0.281 38.175 38.487 -0.051 0.000 1.003 481 N HN 0.431 nan 8.380 nan 0.000 0.424 482 L N -0.351 120.812 121.223 -0.101 0.000 2.056 482 L HA -0.065 4.301 4.340 0.044 0.000 0.207 482 L C 2.366 179.216 176.870 -0.032 0.000 1.078 482 L CA 1.211 56.026 54.840 -0.042 0.000 0.749 482 L CB -0.604 41.442 42.059 -0.022 0.000 0.901 482 L HN 0.209 nan 8.230 nan 0.000 0.433 483 A N 0.058 122.823 122.820 -0.092 0.000 1.972 483 A HA -0.194 4.152 4.320 0.044 0.000 0.219 483 A C 2.488 180.101 177.584 0.048 0.000 1.169 483 A CA 1.773 53.797 52.037 -0.021 0.000 0.635 483 A CB -0.582 18.375 19.000 -0.072 0.000 0.810 483 A HN 0.529 nan 8.150 nan 0.000 0.446 484 S N -0.257 115.428 115.700 -0.024 0.000 2.481 484 S HA -0.117 4.379 4.470 0.044 0.000 0.231 484 S C 1.490 176.167 174.600 0.128 0.000 0.996 484 S CA 1.179 59.462 58.200 0.138 0.000 0.942 484 S CB -0.289 63.021 63.200 0.185 0.000 0.768 484 S HN 0.698 nan 8.310 nan 0.000 0.520 485 E N 1.561 121.808 120.200 0.078 0.000 2.033 485 E HA 0.031 4.408 4.350 0.044 0.000 0.189 485 E C 1.073 177.711 176.600 0.064 0.000 0.979 485 E CA 0.360 56.798 56.400 0.062 0.000 0.802 485 E CB -0.246 29.478 29.700 0.039 0.000 0.763 485 E HN 0.616 nan 8.360 nan 0.000 0.449 486 N N 0.000 118.740 118.700 0.067 0.000 1.763 486 N HA 0.000 4.767 4.740 0.044 0.000 0.220 486 N CA 0.000 53.091 53.050 0.068 0.000 0.885 486 N CB 0.000 38.531 38.487 0.073 0.000 1.341 486 N HN 0.000 nan 8.380 nan 0.000 0.667