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 2lgs_1_J DATA FIRST_RESID 1 DATA SEQUENCE SAEHVLTMLN EHEVKFVDLR FTDTKGKEQH VTIPAHQVNA EFFEEGKMFD DATA SEQUENCE GSSIGGWXXX XXXDMVLMPD ASTAVIDPFF ADSTLIIRCD ILEPGTLQGY DATA SEQUENCE DRDPRSIAKR AEDYLRATGI ADTVLFGPEP EFFLFDDIRF GASISGSHVA DATA SEQUENCE IDDIEGAWNS STKYEGGNKG HRPGVKGGYF PVPPVDSAQD IRSEMCLVME DATA SEQUENCE QMGLVVEAHH HEVATAGQNE VATRFNTMTK KADEIQIYKY VVHNVAHRFG DATA SEQUENCE KTATFMPKPM FGDNGSGMHC HMSLAKNGTN LFSGDKYAGL SEQALYYIGG DATA SEQUENCE VIKHAKAINA LANPTTNSYK RLVPXXXXPV MLAYSARNRS ASIRIPVVAS DATA SEQUENCE PKARRIEVRF PDPAANPYLC FAALLMAGLD GIKNKIHPGE PMDXXXXXXX DATA SEQUENCE XXXXXXIPQV AGSLEEALNA LDLDREFLKA GGVFTDEAID AYIALRREED DATA SEQUENCE DRVRMTPHPV EFELYYSV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.469 174.600 -0.218 0.000 1.055 1 S CA 0.000 58.152 58.200 -0.081 0.000 1.107 1 S CB 0.000 63.162 63.200 -0.063 0.000 0.593 2 A N 1.205 123.757 122.820 -0.447 0.000 1.892 2 A HA -0.139 4.195 4.320 0.023 0.000 0.218 2 A C 1.960 179.261 177.584 -0.471 0.000 1.188 2 A CA 2.620 54.096 52.037 -0.935 0.000 0.631 2 A CB -1.479 17.058 19.000 -0.771 0.000 0.822 2 A HN 1.010 nan 8.150 nan 0.000 0.447 3 E N -0.632 119.438 120.200 -0.218 0.000 2.108 3 E HA -0.262 4.102 4.350 0.023 0.000 0.203 3 E C 1.903 178.489 176.600 -0.024 0.000 1.022 3 E CA 1.881 58.232 56.400 -0.082 0.000 0.823 3 E CB -0.535 29.140 29.700 -0.043 0.000 0.744 3 E HN 0.828 nan 8.360 nan 0.000 0.456 4 H N -0.694 118.317 119.070 -0.098 0.000 2.326 4 H HA -0.069 4.504 4.556 0.029 0.000 0.301 4 H C 2.023 177.341 175.328 -0.016 0.000 1.081 4 H CA 1.725 57.745 56.048 -0.046 0.000 1.334 4 H CB 0.025 29.763 29.762 -0.041 0.000 1.385 4 H HN 0.098 nan 8.280 nan 0.000 0.504 5 V N 1.475 121.288 119.914 -0.169 0.000 2.287 5 V HA -0.276 3.858 4.120 0.023 0.000 0.248 5 V C 2.986 179.063 176.094 -0.029 0.000 1.053 5 V CA 1.682 63.917 62.300 -0.107 0.000 1.027 5 V CB -0.653 31.230 31.823 0.100 0.000 0.646 5 V HN 0.327 nan 8.190 nan 0.000 0.447 6 L N 0.465 121.684 121.223 -0.007 0.000 2.127 6 L HA -0.202 4.152 4.340 0.023 0.000 0.211 6 L C 2.759 179.635 176.870 0.009 0.000 1.089 6 L CA 2.134 56.998 54.840 0.039 0.000 0.757 6 L CB -0.823 41.259 42.059 0.038 0.000 0.899 6 L HN 0.656 nan 8.230 nan 0.000 0.434 7 T N -3.241 111.297 114.554 -0.026 0.000 2.809 7 T HA -0.176 4.188 4.350 0.023 0.000 0.260 7 T C 1.862 176.553 174.700 -0.015 0.000 1.039 7 T CA 0.843 62.933 62.100 -0.016 0.000 1.141 7 T CB -0.271 68.595 68.868 -0.002 0.000 0.869 7 T HN 0.157 nan 8.240 nan 0.000 0.437 8 M N 0.367 119.937 119.600 -0.049 0.000 2.143 8 M HA -0.061 4.433 4.480 0.023 0.000 0.258 8 M C 2.233 178.618 176.300 0.142 0.000 1.071 8 M CA 1.398 56.745 55.300 0.078 0.000 1.088 8 M CB -0.739 31.848 32.600 -0.022 0.000 1.360 8 M HN 0.226 nan 8.290 nan 0.000 0.404 9 L N 0.539 121.799 121.223 0.062 0.000 2.013 9 L HA -0.240 4.114 4.340 0.023 0.000 0.212 9 L C 1.860 178.756 176.870 0.044 0.000 1.073 9 L CA 2.070 56.944 54.840 0.056 0.000 0.753 9 L CB -1.172 40.914 42.059 0.045 0.000 0.890 9 L HN 0.336 nan 8.230 nan 0.000 0.432 10 N N -1.391 117.323 118.700 0.023 0.000 2.207 10 N HA -0.124 4.630 4.740 0.023 0.000 0.182 10 N C 1.724 177.218 175.510 -0.026 0.000 1.020 10 N CA 0.544 53.594 53.050 0.001 0.000 0.858 10 N CB -0.081 38.403 38.487 -0.005 0.000 0.991 10 N HN 0.277 nan 8.380 nan 0.000 0.427 11 E N 0.032 120.201 120.200 -0.052 0.000 2.333 11 E HA -0.157 4.208 4.350 0.023 0.000 0.198 11 E C 0.282 176.634 176.600 -0.414 0.000 1.007 11 E CA 0.941 57.228 56.400 -0.188 0.000 0.845 11 E CB 0.125 29.724 29.700 -0.169 0.000 0.766 11 E HN 0.590 nan 8.360 nan 0.000 0.507 12 H N -0.782 118.282 119.070 -0.009 0.000 3.230 12 H HA 0.156 4.726 4.556 0.023 0.000 0.259 12 H C -0.317 175.011 175.328 0.000 0.000 1.195 12 H CA -0.023 56.023 56.048 -0.003 0.000 1.112 12 H CB 0.719 30.480 29.762 -0.003 0.000 1.638 12 H HN 0.157 nan 8.280 nan 0.000 0.624 13 E N 1.116 121.356 120.200 0.067 0.000 2.269 13 E HA -0.148 4.216 4.350 0.023 0.000 0.223 13 E C -0.321 176.304 176.600 0.042 0.000 1.244 13 E CA 0.104 56.527 56.400 0.038 0.000 0.713 13 E CB -1.068 28.647 29.700 0.025 0.000 1.178 13 E HN 0.070 nan 8.360 nan 0.000 0.370 14 V N 1.064 121.011 119.914 0.054 0.000 2.458 14 V HA -0.122 4.012 4.120 0.023 0.000 0.287 14 V C 1.561 177.628 176.094 -0.045 0.000 1.009 14 V CA 1.149 63.471 62.300 0.038 0.000 1.091 14 V CB 0.946 32.796 31.823 0.045 0.000 0.960 14 V HN 0.296 nan 8.190 nan 0.000 0.476 15 K N 3.622 123.976 120.400 -0.077 0.000 2.243 15 K HA 0.211 4.545 4.320 0.023 0.000 0.201 15 K C -0.266 175.873 176.600 -0.768 0.000 1.051 15 K CA 0.898 56.966 56.287 -0.364 0.000 0.970 15 K CB 0.254 32.589 32.500 -0.275 0.000 0.755 15 K HN 0.551 nan 8.250 nan 0.000 0.465 16 F N -1.017 118.930 119.950 -0.006 0.000 2.613 16 F HA 0.359 4.900 4.527 0.022 0.000 0.310 16 F C -0.745 175.054 175.800 -0.002 0.000 1.085 16 F CA -1.233 56.751 58.000 -0.027 0.000 0.945 16 F CB 1.601 40.603 39.000 0.002 0.000 1.298 16 F HN -0.492 nan 8.300 nan 0.000 0.455 17 V N 1.165 121.171 119.914 0.153 0.000 2.444 17 V HA 0.318 4.452 4.120 0.023 0.000 0.294 17 V C -1.256 174.916 176.094 0.130 0.000 1.022 17 V CA -0.634 61.724 62.300 0.097 0.000 0.850 17 V CB 1.753 33.558 31.823 -0.030 0.000 0.992 17 V HN 0.631 nan 8.190 nan 0.000 0.426 18 D N 4.349 124.852 120.400 0.172 0.000 2.396 18 D HA 0.388 5.042 4.640 0.023 0.000 0.225 18 D C -0.563 175.829 176.300 0.154 0.000 1.121 18 D CA -0.340 53.777 54.000 0.196 0.000 0.853 18 D CB 0.941 41.932 40.800 0.319 0.000 1.043 18 D HN 0.143 nan 8.370 nan 0.000 0.500 19 L N 4.382 125.684 121.223 0.132 0.000 2.369 19 L HA 0.334 4.688 4.340 0.023 0.000 0.279 19 L C 0.691 177.656 176.870 0.159 0.000 1.108 19 L CA 0.327 55.251 54.840 0.139 0.000 0.852 19 L CB 0.230 42.362 42.059 0.122 0.000 1.169 19 L HN 0.301 nan 8.230 nan 0.000 0.452 20 R N 4.246 124.836 120.500 0.150 0.000 2.637 20 R HA 0.761 5.115 4.340 0.023 0.000 0.291 20 R C -0.968 175.468 176.300 0.227 0.000 0.963 20 R CA -0.607 55.567 56.100 0.124 0.000 0.901 20 R CB 2.133 32.446 30.300 0.022 0.000 1.160 20 R HN 0.472 nan 8.270 nan 0.000 0.457 21 F N -2.200 117.749 119.950 -0.002 0.000 2.662 21 F HA 0.566 5.106 4.527 0.021 0.000 0.312 21 F C -0.910 174.930 175.800 0.065 0.000 1.113 21 F CA -1.058 56.956 58.000 0.022 0.000 0.951 21 F CB 1.484 40.494 39.000 0.017 0.000 1.344 21 F HN 0.149 nan 8.300 nan 0.000 0.462 22 T N 1.614 116.325 114.554 0.262 0.000 2.824 22 T HA 0.410 4.774 4.350 0.023 0.000 0.280 22 T C -0.722 174.150 174.700 0.287 0.000 0.995 22 T CA -0.491 61.720 62.100 0.186 0.000 1.009 22 T CB 1.210 70.257 68.868 0.299 0.000 0.955 22 T HN 0.756 nan 8.240 nan 0.000 0.452 23 D N 1.336 121.809 120.400 0.122 0.000 2.478 23 D HA 0.201 4.855 4.640 0.023 0.000 0.274 23 D C 1.215 177.648 176.300 0.221 0.000 1.234 23 D CA -0.523 53.522 54.000 0.073 0.000 1.069 23 D CB -0.202 40.460 40.800 -0.231 0.000 1.113 23 D HN 0.324 nan 8.370 nan 0.000 0.571 24 T N -0.566 114.129 114.554 0.235 0.000 2.746 24 T HA -0.120 4.244 4.350 0.023 0.000 0.267 24 T C 1.609 176.482 174.700 0.289 0.000 1.039 24 T CA 1.370 63.677 62.100 0.344 0.000 1.142 24 T CB -0.215 68.887 68.868 0.390 0.000 0.866 24 T HN 0.395 nan 8.240 nan 0.000 0.444 25 K N 0.198 120.697 120.400 0.166 0.000 2.283 25 K HA 0.080 4.414 4.320 0.023 0.000 0.202 25 K C 1.695 178.377 176.600 0.137 0.000 1.048 25 K CA 0.760 57.131 56.287 0.140 0.000 0.948 25 K CB -0.035 32.500 32.500 0.059 0.000 0.742 25 K HN 0.486 nan 8.250 nan 0.000 0.458 26 G N 1.087 109.965 108.800 0.131 0.000 2.211 26 G HA2 -0.221 3.753 3.960 0.023 0.000 0.201 26 G HA3 -0.221 3.753 3.960 0.023 0.000 0.201 26 G C -0.180 174.762 174.900 0.069 0.000 0.997 26 G CA -0.265 44.901 45.100 0.110 0.000 0.652 26 G HN 0.147 nan 8.290 nan 0.000 0.500 27 K N 1.891 122.315 120.400 0.039 0.000 2.339 27 K HA 0.461 4.795 4.320 0.023 0.000 0.286 27 K C 0.404 176.978 176.600 -0.043 0.000 1.050 27 K CA -0.377 55.914 56.287 0.007 0.000 0.956 27 K CB 0.601 33.094 32.500 -0.012 0.000 0.990 27 K HN 0.312 nan 8.250 nan 0.000 0.475 28 E N 3.887 124.065 120.200 -0.038 0.000 2.328 28 E HA -0.042 4.322 4.350 0.023 0.000 0.265 28 E C -0.490 175.992 176.600 -0.198 0.000 1.057 28 E CA -0.228 56.110 56.400 -0.103 0.000 0.916 28 E CB 0.463 30.128 29.700 -0.059 0.000 0.993 28 E HN 0.432 nan 8.360 nan 0.000 0.446 29 Q N 2.864 122.413 119.800 -0.418 0.000 2.212 29 Q HA 0.300 4.654 4.340 0.023 0.000 0.238 29 Q C -0.142 175.617 176.000 -0.401 0.000 0.955 29 Q CA -0.444 55.016 55.803 -0.571 0.000 0.906 29 Q CB 1.562 29.522 28.738 -1.297 0.000 1.215 29 Q HN 0.670 nan 8.270 nan 0.000 0.478 30 H N -2.226 116.631 119.070 -0.355 0.000 3.079 30 H HA 0.662 5.232 4.556 0.023 0.000 0.356 30 H C -1.805 173.496 175.328 -0.045 0.000 1.221 30 H CA -0.877 55.082 56.048 -0.148 0.000 1.185 30 H CB 0.659 30.381 29.762 -0.067 0.000 1.882 30 H HN 0.387 nan 8.280 nan 0.000 0.543 31 V N 1.948 121.757 119.914 -0.175 0.000 2.925 31 V HA 0.644 4.778 4.120 0.023 0.000 0.311 31 V C -0.954 175.065 176.094 -0.124 0.000 1.104 31 V CA -0.243 61.932 62.300 -0.208 0.000 0.954 31 V CB 2.325 34.119 31.823 -0.048 0.000 1.022 31 V HN 1.068 nan 8.190 nan 0.000 0.427 32 T N 7.074 121.548 114.554 -0.133 0.000 2.792 32 T HA 0.650 5.014 4.350 0.023 0.000 0.280 32 T C -0.685 174.012 174.700 -0.006 0.000 0.990 32 T CA -0.116 61.956 62.100 -0.047 0.000 0.960 32 T CB 1.276 70.077 68.868 -0.113 0.000 0.939 32 T HN 0.479 nan 8.240 nan 0.000 0.439 33 I N 4.604 125.184 120.570 0.017 0.000 2.460 33 I HA 0.427 4.611 4.170 0.023 0.000 0.298 33 I C -2.325 173.786 176.117 -0.009 0.000 0.989 33 I CA -2.591 58.681 61.300 -0.047 0.000 1.173 33 I CB 1.777 39.677 38.000 -0.166 0.000 1.338 33 I HN 0.373 nan 8.210 nan 0.000 0.456 34 P HA 0.104 nan 4.420 nan 0.000 0.268 34 P C 0.026 177.043 177.300 -0.471 0.000 1.205 34 P CA -0.083 62.760 63.100 -0.429 0.000 0.771 34 P CB 0.760 31.982 31.700 -0.797 0.000 0.858 35 A N 3.706 126.281 122.820 -0.408 0.000 1.948 35 A HA -0.252 4.082 4.320 0.023 0.000 0.220 35 A C 1.619 179.095 177.584 -0.180 0.000 1.177 35 A CA 2.188 54.080 52.037 -0.242 0.000 0.636 35 A CB -1.820 17.077 19.000 -0.171 0.000 0.815 35 A HN 0.803 nan 8.150 nan 0.000 0.449 36 H N -0.934 118.045 119.070 -0.151 0.000 2.567 36 H HA 0.098 4.669 4.556 0.024 0.000 0.281 36 H C 1.079 176.338 175.328 -0.115 0.000 1.055 36 H CA 1.254 57.235 56.048 -0.112 0.000 1.185 36 H CB -0.274 29.428 29.762 -0.099 0.000 1.325 36 H HN 0.472 nan 8.280 nan 0.000 0.622 37 Q N 0.143 119.887 119.800 -0.093 0.000 2.217 37 Q HA 0.238 4.592 4.340 0.023 0.000 0.217 37 Q C -0.103 175.725 176.000 -0.287 0.000 0.844 37 Q CA -0.015 55.717 55.803 -0.119 0.000 0.957 37 Q CB 1.406 30.027 28.738 -0.194 0.000 1.127 37 Q HN 0.332 nan 8.270 nan 0.000 0.503 38 V N 4.469 124.191 119.914 -0.320 0.000 2.389 38 V HA 0.246 4.380 4.120 0.023 0.000 0.264 38 V C 0.065 176.184 176.094 0.043 0.000 1.049 38 V CA -0.087 62.027 62.300 -0.310 0.000 0.932 38 V CB -0.007 31.676 31.823 -0.233 0.000 1.011 38 V HN 0.353 nan 8.190 nan 0.000 0.475 39 N N 3.347 122.145 118.700 0.163 0.000 2.710 39 N HA 0.468 5.222 4.740 0.023 0.000 0.257 39 N C 0.768 176.462 175.510 0.308 0.000 1.327 39 N CA -0.360 52.822 53.050 0.220 0.000 0.861 39 N CB 1.939 40.499 38.487 0.123 0.000 1.532 39 N HN 0.399 nan 8.380 nan 0.000 0.499 40 A N 1.531 124.511 122.820 0.266 0.000 1.827 40 A HA -0.428 3.906 4.320 0.023 0.000 0.262 40 A C 1.752 179.473 177.584 0.228 0.000 2.408 40 A CA 2.993 55.174 52.037 0.239 0.000 0.827 40 A CB -1.728 17.354 19.000 0.137 0.000 0.840 40 A HN 0.922 nan 8.150 nan 0.000 0.513 41 E N -1.832 118.467 120.200 0.165 0.000 2.136 41 E HA -0.299 4.065 4.350 0.023 0.000 0.208 41 E C 1.725 178.408 176.600 0.138 0.000 1.035 41 E CA 1.713 58.190 56.400 0.130 0.000 0.838 41 E CB -0.482 29.285 29.700 0.111 0.000 0.748 41 E HN 0.732 nan 8.360 nan 0.000 0.459 42 F N 1.012 120.953 119.950 -0.016 0.000 2.010 42 F HA -0.207 4.335 4.527 0.024 0.000 0.296 42 F C 1.935 177.628 175.800 -0.180 0.000 1.146 42 F CA 1.525 59.433 58.000 -0.154 0.000 1.181 42 F CB -0.656 38.171 39.000 -0.290 0.000 0.965 42 F HN -0.096 nan 8.300 nan 0.000 0.480 43 F N 0.590 120.438 119.950 -0.171 0.000 2.494 43 F HA -0.085 4.456 4.527 0.024 0.000 0.298 43 F C 2.362 178.076 175.800 -0.143 0.000 1.106 43 F CA 1.276 59.129 58.000 -0.246 0.000 1.452 43 F CB -0.708 38.245 39.000 -0.078 0.000 1.085 43 F HN 0.203 nan 8.300 nan 0.000 0.569 44 E N 0.168 120.410 120.200 0.070 0.000 2.035 44 E HA -0.088 4.276 4.350 0.023 0.000 0.191 44 E C 1.023 177.618 176.600 -0.008 0.000 0.966 44 E CA 0.637 57.064 56.400 0.045 0.000 0.823 44 E CB 0.110 29.852 29.700 0.069 0.000 0.791 44 E HN 0.084 nan 8.360 nan 0.000 0.459 45 E N -0.052 120.140 120.200 -0.014 0.000 2.437 45 E HA 0.210 4.574 4.350 0.023 0.000 0.195 45 E C 0.008 176.578 176.600 -0.050 0.000 1.029 45 E CA 0.365 56.752 56.400 -0.023 0.000 0.948 45 E CB 0.684 30.387 29.700 0.005 0.000 1.082 45 E HN 0.472 nan 8.360 nan 0.000 0.456 46 G N 1.130 109.852 108.800 -0.130 0.000 2.606 46 G HA2 -0.299 3.675 3.960 0.023 0.000 0.285 46 G HA3 -0.299 3.675 3.960 0.023 0.000 0.285 46 G C -0.372 174.504 174.900 -0.040 0.000 1.311 46 G CA -0.193 44.799 45.100 -0.181 0.000 0.922 46 G HN 0.119 nan 8.290 nan 0.000 0.559 47 K N -0.290 120.111 120.400 0.001 0.000 2.443 47 K HA 0.460 4.794 4.320 0.023 0.000 0.252 47 K C 0.125 176.779 176.600 0.090 0.000 0.933 47 K CA -0.964 55.374 56.287 0.085 0.000 0.792 47 K CB 1.661 34.253 32.500 0.154 0.000 1.185 47 K HN 0.442 nan 8.250 nan 0.000 0.425 48 M N 3.472 123.131 119.600 0.098 0.000 2.217 48 M HA 0.333 4.827 4.480 0.023 0.000 0.354 48 M C -0.008 176.422 176.300 0.216 0.000 1.225 48 M CA -0.261 55.110 55.300 0.119 0.000 1.137 48 M CB -0.501 32.130 32.600 0.051 0.000 1.576 48 M HN 0.504 nan 8.290 nan 0.000 0.461 49 F N -0.098 119.823 119.950 -0.048 0.000 2.643 49 F HA 0.540 5.082 4.527 0.024 0.000 0.314 49 F C -0.758 175.030 175.800 -0.021 0.000 1.096 49 F CA -2.159 55.827 58.000 -0.023 0.000 0.953 49 F CB 0.696 39.689 39.000 -0.012 0.000 1.345 49 F HN 0.500 nan 8.300 nan 0.000 0.468 50 D N 1.191 121.492 120.400 -0.166 0.000 2.402 50 D HA 0.337 4.991 4.640 0.023 0.000 0.235 50 D C 1.346 177.336 176.300 -0.516 0.000 1.226 50 D CA 0.456 54.272 54.000 -0.306 0.000 0.918 50 D CB 0.915 41.660 40.800 -0.093 0.000 1.043 50 D HN 0.877 nan 8.370 nan 0.000 0.506 51 G N 2.173 110.402 108.800 -0.951 0.000 2.470 51 G HA2 -0.270 3.704 3.960 0.023 0.000 0.220 51 G HA3 -0.270 3.704 3.960 0.023 0.000 0.220 51 G C 1.560 176.399 174.900 -0.103 0.000 1.121 51 G CA 0.695 45.393 45.100 -0.670 0.000 0.766 51 G HN 0.525 nan 8.290 nan 0.000 0.553 52 S N 1.427 117.054 115.700 -0.122 0.000 2.380 52 S HA -0.216 4.268 4.470 0.023 0.000 0.229 52 S C 2.462 177.079 174.600 0.028 0.000 1.043 52 S CA 2.326 60.517 58.200 -0.014 0.000 1.038 52 S CB -0.454 62.726 63.200 -0.034 0.000 0.872 52 S HN 0.584 nan 8.310 nan 0.000 0.456 53 S N 0.415 116.127 115.700 0.020 0.000 2.631 53 S HA 0.301 4.785 4.470 0.023 0.000 0.217 53 S C 0.462 175.073 174.600 0.018 0.000 0.958 53 S CA -0.507 57.709 58.200 0.027 0.000 0.920 53 S CB -0.422 62.795 63.200 0.029 0.000 0.776 53 S HN 0.398 nan 8.310 nan 0.000 0.517 54 I N 3.167 123.745 120.570 0.014 0.000 2.416 54 I HA 0.278 4.462 4.170 0.023 0.000 0.288 54 I C 1.228 177.235 176.117 -0.182 0.000 1.051 54 I CA -0.442 60.771 61.300 -0.146 0.000 1.375 54 I CB -0.030 37.746 38.000 -0.375 0.000 1.407 54 I HN 0.277 nan 8.210 nan 0.000 0.516 55 G N 4.329 113.021 108.800 -0.179 0.000 2.192 55 G HA2 0.304 4.278 3.960 0.023 0.000 0.258 55 G HA3 0.304 4.278 3.960 0.023 0.000 0.258 55 G C 0.980 175.835 174.900 -0.075 0.000 1.185 55 G CA 0.397 45.438 45.100 -0.097 0.000 0.976 55 G HN 1.236 nan 8.290 nan 0.000 0.446 56 G N 1.093 109.938 108.800 0.075 0.000 2.157 56 G HA2 -0.218 3.756 3.960 0.023 0.000 0.239 56 G HA3 -0.218 3.756 3.960 0.023 0.000 0.239 56 G C 0.194 175.405 174.900 0.518 0.000 0.982 56 G CA 0.224 45.459 45.100 0.226 0.000 0.650 56 G HN 0.591 nan 8.290 nan 0.000 0.527 65 M N 0.903 120.282 119.600 -0.370 0.000 2.667 65 M HA 0.602 5.096 4.480 0.023 0.000 0.286 65 M C -1.331 174.931 176.300 -0.064 0.000 1.270 65 M CA -1.189 53.928 55.300 -0.306 0.000 0.826 65 M CB 2.282 34.574 32.600 -0.514 0.000 1.743 65 M HN 0.271 nan 8.290 nan 0.000 0.460 66 V N 2.739 122.648 119.914 -0.008 0.000 2.448 66 V HA 0.487 4.621 4.120 0.023 0.000 0.295 66 V C -0.974 175.127 176.094 0.012 0.000 1.025 66 V CA -0.622 61.707 62.300 0.048 0.000 0.859 66 V CB 1.670 33.484 31.823 -0.016 0.000 0.988 66 V HN 0.708 nan 8.190 nan 0.000 0.431 67 L N 7.360 128.571 121.223 -0.020 0.000 2.325 67 L HA 0.386 4.740 4.340 0.023 0.000 0.284 67 L C 0.003 176.777 176.870 -0.161 0.000 1.089 67 L CA 0.001 54.732 54.840 -0.181 0.000 0.836 67 L CB 1.010 42.912 42.059 -0.261 0.000 1.184 67 L HN 0.642 nan 8.230 nan 0.000 0.444 68 M N 8.169 127.673 119.600 -0.161 0.000 2.055 68 M HA 0.361 4.855 4.480 0.023 0.000 0.347 68 M C -2.310 173.878 176.300 -0.187 0.000 1.123 68 M CA -2.605 52.588 55.300 -0.178 0.000 1.035 68 M CB 0.853 33.383 32.600 -0.118 0.000 1.484 68 M HN 0.099 nan 8.290 nan 0.000 0.428 69 P HA 0.020 nan 4.420 nan 0.000 0.266 69 P C -0.918 176.356 177.300 -0.042 0.000 1.215 69 P CA 0.087 63.040 63.100 -0.245 0.000 0.763 69 P CB 0.338 31.639 31.700 -0.665 0.000 0.806 70 D N 3.397 123.815 120.400 0.030 0.000 2.441 70 D HA 0.236 4.890 4.640 0.023 0.000 0.221 70 D C 1.324 177.705 176.300 0.135 0.000 1.156 70 D CA -0.553 53.490 54.000 0.072 0.000 0.896 70 D CB 0.386 41.217 40.800 0.051 0.000 1.028 70 D HN 0.272 nan 8.370 nan 0.000 0.509 71 A N 2.926 125.861 122.820 0.192 0.000 2.234 71 A HA -0.147 4.187 4.320 0.023 0.000 0.216 71 A C 2.081 179.746 177.584 0.135 0.000 1.167 71 A CA 1.525 53.685 52.037 0.205 0.000 0.698 71 A CB -0.431 18.596 19.000 0.046 0.000 0.779 71 A HN 0.576 nan 8.150 nan 0.000 0.475 72 S N -0.386 115.372 115.700 0.096 0.000 2.428 72 S HA -0.129 4.355 4.470 0.023 0.000 0.230 72 S C 1.741 176.396 174.600 0.090 0.000 1.014 72 S CA 1.535 59.781 58.200 0.077 0.000 0.957 72 S CB -1.186 62.043 63.200 0.048 0.000 0.784 72 S HN 0.802 nan 8.310 nan 0.000 0.499 73 T N -0.081 114.532 114.554 0.097 0.000 3.148 73 T HA 0.476 4.841 4.350 0.023 0.000 0.253 73 T C 0.609 175.364 174.700 0.091 0.000 1.134 73 T CA 0.170 62.323 62.100 0.088 0.000 1.051 73 T CB -0.568 68.350 68.868 0.085 0.000 0.959 73 T HN 0.549 nan 8.240 nan 0.000 0.525 74 A N 1.621 124.511 122.820 0.117 0.000 2.515 74 A HA 0.544 4.878 4.320 0.023 0.000 0.263 74 A C 0.081 177.695 177.584 0.050 0.000 1.096 74 A CA -0.421 51.674 52.037 0.096 0.000 0.769 74 A CB -0.247 18.817 19.000 0.108 0.000 1.040 74 A HN 0.516 nan 8.150 nan 0.000 0.505 75 V N 3.374 123.295 119.914 0.012 0.000 2.789 75 V HA 0.431 4.565 4.120 0.023 0.000 0.311 75 V C -0.142 175.905 176.094 -0.079 0.000 1.073 75 V CA -0.812 61.468 62.300 -0.033 0.000 0.921 75 V CB 1.647 33.451 31.823 -0.031 0.000 1.009 75 V HN 0.762 nan 8.190 nan 0.000 0.426 76 I N 2.544 123.032 120.570 -0.136 0.000 2.441 76 I HA 0.188 4.372 4.170 0.023 0.000 0.287 76 I C 0.581 176.604 176.117 -0.155 0.000 1.049 76 I CA 0.440 61.643 61.300 -0.161 0.000 1.381 76 I CB 0.665 38.505 38.000 -0.267 0.000 1.409 76 I HN 0.750 nan 8.210 nan 0.000 0.523 77 D N 9.362 129.666 120.400 -0.160 0.000 2.358 77 D HA 0.084 4.738 4.640 0.023 0.000 0.258 77 D C -1.643 174.478 176.300 -0.299 0.000 1.223 77 D CA -1.145 52.701 54.000 -0.258 0.000 0.886 77 D CB 1.364 41.891 40.800 -0.454 0.000 1.120 77 D HN 0.350 nan 8.370 nan 0.000 0.482 78 P HA -0.013 nan 4.420 nan 0.000 0.245 78 P C 0.531 177.451 177.300 -0.634 0.000 1.212 78 P CA 0.419 63.148 63.100 -0.618 0.000 0.774 78 P CB 0.118 31.324 31.700 -0.824 0.000 0.999 79 F N -1.935 117.965 119.950 -0.083 0.000 2.619 79 F HA 0.249 4.790 4.527 0.023 0.000 0.281 79 F C 1.302 177.194 175.800 0.153 0.000 1.065 79 F CA -0.624 57.370 58.000 -0.009 0.000 1.304 79 F CB -0.903 38.060 39.000 -0.061 0.000 1.059 79 F HN -0.334 nan 8.300 nan 0.000 0.648 80 F N 1.400 121.482 119.950 0.220 0.000 2.602 80 F HA 0.270 4.812 4.527 0.025 0.000 0.367 80 F C 1.636 177.496 175.800 0.100 0.000 1.126 80 F CA -0.722 57.361 58.000 0.137 0.000 1.321 80 F CB -0.228 38.840 39.000 0.114 0.000 1.094 80 F HN 0.024 nan 8.300 nan 0.000 0.594 81 A N 1.815 124.786 122.820 0.252 0.000 1.933 81 A HA -0.098 4.236 4.320 0.023 0.000 0.218 81 A C 0.691 178.372 177.584 0.162 0.000 1.175 81 A CA 1.074 53.208 52.037 0.162 0.000 0.628 81 A CB -0.575 18.488 19.000 0.104 0.000 0.814 81 A HN 0.688 nan 8.150 nan 0.000 0.444 82 D N 0.032 120.550 120.400 0.198 0.000 2.175 82 D HA 0.258 4.912 4.640 0.023 0.000 0.248 82 D C -0.575 175.890 176.300 0.275 0.000 1.047 82 D CA -0.067 54.078 54.000 0.242 0.000 0.883 82 D CB 1.317 42.330 40.800 0.356 0.000 1.180 82 D HN 0.050 nan 8.370 nan 0.000 0.438 83 S N 1.028 116.853 115.700 0.207 0.000 2.571 83 S HA 0.071 4.555 4.470 0.023 0.000 0.297 83 S C -0.375 174.351 174.600 0.209 0.000 1.234 83 S CA 0.164 58.465 58.200 0.169 0.000 1.120 83 S CB -0.336 62.932 63.200 0.115 0.000 0.923 83 S HN 0.299 nan 8.310 nan 0.000 0.504 84 T N 6.592 121.269 114.554 0.206 0.000 2.824 84 T HA 0.380 4.744 4.350 0.023 0.000 0.282 84 T C -0.841 173.923 174.700 0.106 0.000 0.993 84 T CA -0.630 61.612 62.100 0.236 0.000 0.967 84 T CB 1.179 70.305 68.868 0.431 0.000 0.960 84 T HN 0.522 nan 8.240 nan 0.000 0.441 85 L N 4.922 126.202 121.223 0.097 0.000 2.280 85 L HA 0.560 4.914 4.340 0.023 0.000 0.287 85 L C -0.608 176.303 176.870 0.069 0.000 1.023 85 L CA -0.673 54.191 54.840 0.040 0.000 0.819 85 L CB 0.494 42.575 42.059 0.036 0.000 1.212 85 L HN 0.705 nan 8.230 nan 0.000 0.420 86 I N 6.037 126.624 120.570 0.029 0.000 2.496 86 I HA 0.199 4.384 4.170 0.023 0.000 0.285 86 I C 0.045 176.201 176.117 0.066 0.000 1.080 86 I CA 0.159 61.479 61.300 0.033 0.000 1.404 86 I CB 0.935 38.906 38.000 -0.049 0.000 1.403 86 I HN 0.463 nan 8.210 nan 0.000 0.539 87 I N 6.445 127.075 120.570 0.100 0.000 2.439 87 I HA 0.342 4.526 4.170 0.023 0.000 0.285 87 I C 0.083 176.260 176.117 0.101 0.000 1.021 87 I CA -0.731 60.643 61.300 0.123 0.000 1.091 87 I CB 1.705 39.818 38.000 0.188 0.000 1.242 87 I HN 0.541 nan 8.210 nan 0.000 0.439 88 R N 4.065 124.617 120.500 0.086 0.000 2.643 88 R HA 0.416 4.770 4.340 0.023 0.000 0.270 88 R C -1.064 175.277 176.300 0.068 0.000 1.061 88 R CA 0.262 56.412 56.100 0.083 0.000 1.107 88 R CB 0.633 30.984 30.300 0.085 0.000 0.999 88 R HN 0.673 nan 8.270 nan 0.000 0.460 89 C N 1.896 121.237 119.300 0.069 0.000 2.667 89 C HA 0.507 4.981 4.460 0.023 0.000 0.323 89 C C -0.987 173.992 174.990 -0.018 0.000 1.214 89 C CA -0.886 58.135 59.018 0.004 0.000 1.721 89 C CB 1.939 29.657 27.740 -0.038 0.000 2.275 89 C HN 0.741 nan 8.230 nan 0.000 0.491 90 D N 1.238 121.598 120.400 -0.067 0.000 2.198 90 D HA 0.404 5.058 4.640 0.023 0.000 0.247 90 D C -0.591 175.633 176.300 -0.126 0.000 1.010 90 D CA -0.200 53.749 54.000 -0.084 0.000 0.880 90 D CB 1.473 42.227 40.800 -0.076 0.000 1.209 90 D HN 0.238 nan 8.370 nan 0.000 0.451 91 I N 2.613 123.097 120.570 -0.142 0.000 2.322 91 I HA 0.209 4.394 4.170 0.023 0.000 0.292 91 I C 0.332 176.367 176.117 -0.136 0.000 1.060 91 I CA -0.166 61.023 61.300 -0.185 0.000 1.309 91 I CB -0.088 37.721 38.000 -0.319 0.000 1.415 91 I HN 0.129 nan 8.210 nan 0.000 0.492 92 L N 4.594 125.752 121.223 -0.109 0.000 2.334 92 L HA 0.444 4.798 4.340 0.023 0.000 0.272 92 L C 0.362 177.184 176.870 -0.080 0.000 1.020 92 L CA -1.063 53.731 54.840 -0.077 0.000 0.812 92 L CB 1.483 43.505 42.059 -0.063 0.000 1.264 92 L HN 0.405 nan 8.230 nan 0.000 0.439 93 E N 4.254 124.430 120.200 -0.040 0.000 2.299 93 E HA 0.135 4.499 4.350 0.023 0.000 0.272 93 E C -2.306 174.268 176.600 -0.042 0.000 1.043 93 E CA -1.523 54.860 56.400 -0.028 0.000 0.895 93 E CB 0.610 30.314 29.700 0.008 0.000 1.011 93 E HN 0.135 nan 8.360 nan 0.000 0.432 94 P HA 0.097 nan 4.420 nan 0.000 0.275 94 P C 0.774 178.055 177.300 -0.031 0.000 1.227 94 P CA 0.666 63.738 63.100 -0.047 0.000 0.781 94 P CB 1.395 33.059 31.700 -0.059 0.000 0.906 95 G N 3.217 112.003 108.800 -0.025 0.000 4.825 95 G HA2 -0.407 3.567 3.960 0.023 0.000 0.224 95 G HA3 -0.407 3.567 3.960 0.023 0.000 0.224 95 G C 1.300 176.190 174.900 -0.016 0.000 1.356 95 G CA 1.143 46.232 45.100 -0.018 0.000 0.966 95 G HN 0.665 nan 8.290 nan 0.000 0.690 96 T N -0.288 114.255 114.554 -0.017 0.000 2.897 96 T HA 0.151 4.515 4.350 0.023 0.000 0.271 96 T C 1.383 176.072 174.700 -0.018 0.000 1.084 96 T CA 1.582 63.672 62.100 -0.016 0.000 1.123 96 T CB -0.150 68.709 68.868 -0.015 0.000 0.865 96 T HN 1.497 nan 8.240 nan 0.000 0.496 97 L N 0.686 121.895 121.223 -0.023 0.000 3.739 97 L HA -0.214 4.140 4.340 0.023 0.000 0.442 97 L C 0.985 177.838 176.870 -0.028 0.000 1.241 97 L CA 0.919 55.743 54.840 -0.028 0.000 0.819 97 L CB -2.004 40.040 42.059 -0.025 0.000 1.679 97 L HN 0.491 nan 8.230 nan 0.000 0.889 98 Q N -0.215 119.569 119.800 -0.028 0.000 2.396 98 Q HA 0.598 4.952 4.340 0.023 0.000 0.220 98 Q C 1.128 177.105 176.000 -0.039 0.000 0.900 98 Q CA 0.590 56.375 55.803 -0.030 0.000 0.925 98 Q CB 0.752 29.472 28.738 -0.029 0.000 1.065 98 Q HN 0.633 nan 8.270 nan 0.000 0.535 99 G N 0.670 109.448 108.800 -0.037 0.000 3.353 99 G HA2 -0.195 3.779 3.960 0.023 0.000 0.682 99 G HA3 -0.195 3.779 3.960 0.023 0.000 0.682 99 G C -1.263 173.615 174.900 -0.037 0.000 1.192 99 G CA -1.065 44.007 45.100 -0.046 0.000 1.111 99 G HN 0.141 nan 8.290 nan 0.000 0.493 100 Y N 2.291 122.458 120.300 -0.221 0.000 2.916 100 Y HA 0.055 4.619 4.550 0.022 0.000 0.344 100 Y C 1.803 177.554 175.900 -0.248 0.000 1.282 100 Y CA 0.875 58.806 58.100 -0.281 0.000 1.604 100 Y CB 0.566 38.750 38.460 -0.461 0.000 1.207 100 Y HN 0.754 nan 8.280 nan 0.000 0.561 101 D N 2.139 122.243 120.400 -0.494 0.000 2.338 101 D HA 0.009 4.663 4.640 0.023 0.000 0.239 101 D C 1.369 177.427 176.300 -0.403 0.000 1.095 101 D CA 0.509 54.284 54.000 -0.376 0.000 0.888 101 D CB 0.057 40.694 40.800 -0.271 0.000 0.899 101 D HN 0.528 nan 8.370 nan 0.000 0.525 102 R N -0.333 119.806 120.500 -0.601 0.000 2.487 102 R HA 0.081 4.435 4.340 0.023 0.000 0.272 102 R C -0.370 175.839 176.300 -0.151 0.000 0.928 102 R CA -0.279 55.572 56.100 -0.415 0.000 1.077 102 R CB 0.500 30.356 30.300 -0.740 0.000 1.265 102 R HN 0.042 nan 8.270 nan 0.000 0.537 103 D N 1.383 121.679 120.400 -0.174 0.000 2.338 103 D HA 0.033 4.687 4.640 0.023 0.000 0.255 103 D C -1.452 174.809 176.300 -0.065 0.000 1.237 103 D CA -2.265 51.710 54.000 -0.042 0.000 0.883 103 D CB 1.492 42.227 40.800 -0.109 0.000 1.087 103 D HN -0.029 nan 8.370 nan 0.000 0.485 104 P HA -0.190 nan 4.420 nan 0.000 0.218 104 P C 1.388 178.482 177.300 -0.343 0.000 1.148 104 P CA 0.881 63.925 63.100 -0.094 0.000 0.822 104 P CB 0.396 32.149 31.700 0.088 0.000 0.784 105 R N 0.141 120.297 120.500 -0.574 0.000 2.066 105 R HA -0.047 4.307 4.340 0.023 0.000 0.232 105 R C 2.540 178.680 176.300 -0.267 0.000 1.131 105 R CA 1.794 57.495 56.100 -0.666 0.000 0.955 105 R CB -0.574 29.390 30.300 -0.560 0.000 0.851 105 R HN 0.053 nan 8.270 nan 0.000 0.432 106 S N 0.828 116.406 115.700 -0.203 0.000 2.359 106 S HA -0.184 4.300 4.470 0.023 0.000 0.223 106 S C 1.890 176.391 174.600 -0.165 0.000 1.039 106 S CA 1.646 59.757 58.200 -0.149 0.000 1.042 106 S CB -0.329 62.786 63.200 -0.140 0.000 0.915 106 S HN 0.307 nan 8.310 nan 0.000 0.439 107 I N 1.759 122.187 120.570 -0.238 0.000 2.194 107 I HA -0.303 3.881 4.170 0.023 0.000 0.246 107 I C 2.704 178.690 176.117 -0.218 0.000 1.093 107 I CA 1.270 62.366 61.300 -0.340 0.000 1.355 107 I CB -0.631 37.014 38.000 -0.591 0.000 1.046 107 I HN 0.294 nan 8.210 nan 0.000 0.413 108 A N 0.849 123.607 122.820 -0.104 0.000 1.877 108 A HA -0.207 4.127 4.320 0.023 0.000 0.216 108 A C 2.347 179.954 177.584 0.039 0.000 1.186 108 A CA 1.537 53.593 52.037 0.032 0.000 0.620 108 A CB -0.433 18.687 19.000 0.201 0.000 0.822 108 A HN 0.321 nan 8.150 nan 0.000 0.443 109 K N -0.505 119.901 120.400 0.010 0.000 2.057 109 K HA -0.151 4.183 4.320 0.023 0.000 0.207 109 K C 2.282 178.897 176.600 0.024 0.000 1.049 109 K CA 1.473 57.774 56.287 0.023 0.000 0.931 109 K CB -0.236 32.263 32.500 -0.001 0.000 0.714 109 K HN 0.424 nan 8.250 nan 0.000 0.440 110 R N 0.540 121.033 120.500 -0.012 0.000 2.083 110 R HA -0.118 4.236 4.340 0.023 0.000 0.237 110 R C 2.448 178.787 176.300 0.066 0.000 1.137 110 R CA 1.369 57.472 56.100 0.006 0.000 0.951 110 R CB -0.486 29.780 30.300 -0.058 0.000 0.851 110 R HN 0.194 nan 8.270 nan 0.000 0.434 111 A N 1.367 124.216 122.820 0.049 0.000 1.940 111 A HA -0.212 4.122 4.320 0.023 0.000 0.219 111 A C 1.923 179.624 177.584 0.196 0.000 1.176 111 A CA 1.459 53.573 52.037 0.128 0.000 0.631 111 A CB -0.327 18.744 19.000 0.120 0.000 0.814 111 A HN 0.346 nan 8.150 nan 0.000 0.446 112 E N -0.287 120.002 120.200 0.148 0.000 2.047 112 E HA -0.169 4.195 4.350 0.023 0.000 0.191 112 E C 1.452 178.128 176.600 0.127 0.000 0.987 112 E CA 1.153 57.639 56.400 0.143 0.000 0.799 112 E CB -0.228 29.540 29.700 0.113 0.000 0.752 112 E HN 0.541 nan 8.360 nan 0.000 0.449 113 D N 0.269 120.735 120.400 0.110 0.000 2.117 113 D HA -0.176 4.478 4.640 0.023 0.000 0.197 113 D C 1.753 178.121 176.300 0.113 0.000 0.987 113 D CA 0.884 54.939 54.000 0.091 0.000 0.829 113 D CB -0.454 40.390 40.800 0.072 0.000 0.961 113 D HN 0.190 nan 8.370 nan 0.000 0.460 114 Y N 1.519 121.845 120.300 0.043 0.000 2.193 114 Y HA -0.196 4.367 4.550 0.022 0.000 0.285 114 Y C 2.217 178.157 175.900 0.066 0.000 1.166 114 Y CA 1.187 59.318 58.100 0.051 0.000 1.181 114 Y CB -0.304 38.190 38.460 0.056 0.000 0.976 114 Y HN -0.046 nan 8.280 nan 0.000 0.520 115 L N 0.053 121.367 121.223 0.153 0.000 2.042 115 L HA -0.270 4.084 4.340 0.023 0.000 0.210 115 L C 2.463 179.326 176.870 -0.011 0.000 1.076 115 L CA 1.867 56.758 54.840 0.085 0.000 0.749 115 L CB -0.431 41.722 42.059 0.157 0.000 0.893 115 L HN 0.309 nan 8.230 nan 0.000 0.432 116 R N -0.511 119.993 120.500 0.005 0.000 2.073 116 R HA -0.148 4.206 4.340 0.023 0.000 0.234 116 R C 2.272 178.540 176.300 -0.054 0.000 1.134 116 R CA 1.411 57.505 56.100 -0.011 0.000 0.952 116 R CB -0.440 29.866 30.300 0.010 0.000 0.850 116 R HN 0.449 nan 8.270 nan 0.000 0.433 117 A N 0.705 123.470 122.820 -0.091 0.000 2.019 117 A HA -0.162 4.172 4.320 0.023 0.000 0.219 117 A C 2.140 179.615 177.584 -0.182 0.000 1.164 117 A CA 1.997 53.959 52.037 -0.125 0.000 0.644 117 A CB -0.744 18.177 19.000 -0.133 0.000 0.805 117 A HN 0.538 nan 8.150 nan 0.000 0.449 118 T N -4.212 110.180 114.554 -0.271 0.000 3.088 118 T HA 0.330 4.694 4.350 0.023 0.000 0.259 118 T C 1.579 176.225 174.700 -0.091 0.000 1.122 118 T CA 1.121 63.090 62.100 -0.218 0.000 1.095 118 T CB -0.331 68.383 68.868 -0.257 0.000 0.930 118 T HN 1.643 nan 8.240 nan 0.000 0.508 119 G N 1.505 110.266 108.800 -0.064 0.000 2.186 119 G HA2 -0.312 3.662 3.960 0.023 0.000 0.266 119 G HA3 -0.312 3.662 3.960 0.023 0.000 0.266 119 G C 0.807 175.708 174.900 0.002 0.000 0.982 119 G CA 0.575 45.661 45.100 -0.023 0.000 0.670 119 G HN 0.619 nan 8.290 nan 0.000 0.533 120 I N 0.247 120.825 120.570 0.014 0.000 2.394 120 I HA 0.271 4.455 4.170 0.023 0.000 0.251 120 I C 1.566 177.716 176.117 0.054 0.000 1.136 120 I CA 1.443 62.776 61.300 0.053 0.000 1.425 120 I CB -0.247 37.808 38.000 0.092 0.000 1.079 120 I HN 0.637 nan 8.210 nan 0.000 0.425 121 A N -0.030 122.813 122.820 0.038 0.000 2.586 121 A HA 0.305 4.639 4.320 0.023 0.000 0.290 121 A C -0.373 177.219 177.584 0.013 0.000 1.086 121 A CA -0.597 51.452 52.037 0.019 0.000 0.665 121 A CB 0.582 19.586 19.000 0.007 0.000 1.279 121 A HN 0.106 nan 8.150 nan 0.000 0.423 122 D N -0.003 120.399 120.400 0.002 0.000 2.216 122 D HA 0.071 4.725 4.640 0.023 0.000 0.208 122 D C 0.682 176.992 176.300 0.016 0.000 0.960 122 D CA 1.816 55.821 54.000 0.008 0.000 0.861 122 D CB 0.065 40.868 40.800 0.004 0.000 0.985 122 D HN 0.746 nan 8.370 nan 0.000 0.493 123 T N -0.830 113.723 114.554 -0.001 0.000 2.893 123 T HA 0.535 4.899 4.350 0.023 0.000 0.293 123 T C -0.406 174.280 174.700 -0.025 0.000 1.027 123 T CA -0.972 61.132 62.100 0.007 0.000 0.988 123 T CB 2.601 71.473 68.868 0.007 0.000 1.043 123 T HN -0.120 nan 8.240 nan 0.000 0.461 124 V N 2.274 122.205 119.914 0.028 0.000 2.394 124 V HA 0.586 4.720 4.120 0.023 0.000 0.282 124 V C -0.597 175.506 176.094 0.014 0.000 1.031 124 V CA -0.927 61.376 62.300 0.005 0.000 0.881 124 V CB 0.725 32.661 31.823 0.188 0.000 0.982 124 V HN 0.743 nan 8.190 nan 0.000 0.451 125 L N 5.518 126.638 121.223 -0.171 0.000 2.287 125 L HA 0.608 4.962 4.340 0.023 0.000 0.287 125 L C -0.597 176.114 176.870 -0.265 0.000 1.022 125 L CA 0.017 54.773 54.840 -0.139 0.000 0.814 125 L CB 0.966 42.843 42.059 -0.303 0.000 1.217 125 L HN 0.499 nan 8.230 nan 0.000 0.420 126 F N 1.318 121.168 119.950 -0.167 0.000 2.469 126 F HA 0.696 5.230 4.527 0.013 0.000 0.332 126 F C 0.854 176.571 175.800 -0.139 0.000 1.103 126 F CA -0.574 57.263 58.000 -0.271 0.000 0.979 126 F CB 2.257 40.891 39.000 -0.610 0.000 1.137 126 F HN 0.453 nan 8.300 nan 0.000 0.463 127 G N 4.021 112.859 108.800 0.064 0.000 3.712 127 G HA2 0.479 4.453 3.960 0.023 0.000 0.327 127 G HA3 0.479 4.453 3.960 0.023 0.000 0.327 127 G C -3.217 171.778 174.900 0.158 0.000 1.566 127 G CA -1.468 43.706 45.100 0.123 0.000 0.953 127 G HN 0.223 nan 8.290 nan 0.000 0.488 128 P HA 0.238 nan 4.420 nan 0.000 0.276 128 P C -0.250 177.110 177.300 0.099 0.000 1.230 128 P CA -0.050 63.146 63.100 0.160 0.000 0.776 128 P CB 1.248 33.089 31.700 0.234 0.000 0.888 129 E N 3.571 123.836 120.200 0.108 0.000 2.731 129 E HA 0.246 4.610 4.350 0.023 0.000 0.220 129 E C -2.306 174.315 176.600 0.034 0.000 1.087 129 E CA -1.919 54.514 56.400 0.055 0.000 1.020 129 E CB 0.101 29.821 29.700 0.033 0.000 1.339 129 E HN 0.397 nan 8.360 nan 0.000 0.444 130 P HA 0.031 nan 4.420 nan 0.000 0.276 130 P C -0.548 176.906 177.300 0.256 0.000 1.235 130 P CA 0.093 63.243 63.100 0.083 0.000 0.772 130 P CB 0.806 32.453 31.700 -0.089 0.000 0.871 131 E N 2.227 122.584 120.200 0.261 0.000 2.212 131 E HA 0.651 5.015 4.350 0.023 0.000 0.270 131 E C -0.572 176.174 176.600 0.244 0.000 0.956 131 E CA -0.634 55.860 56.400 0.156 0.000 0.825 131 E CB 1.057 30.743 29.700 -0.024 0.000 1.167 131 E HN 0.414 nan 8.360 nan 0.000 0.400 132 F N -1.012 118.831 119.950 -0.178 0.000 2.643 132 F HA 0.668 5.208 4.527 0.023 0.000 0.314 132 F C -1.382 174.096 175.800 -0.537 0.000 1.096 132 F CA -1.364 56.392 58.000 -0.407 0.000 0.953 132 F CB 0.832 39.379 39.000 -0.755 0.000 1.345 132 F HN 0.233 nan 8.300 nan 0.000 0.468 133 F N 1.538 121.316 119.950 -0.286 0.000 2.480 133 F HA 0.670 5.211 4.527 0.024 0.000 0.329 133 F C -0.760 174.719 175.800 -0.535 0.000 1.091 133 F CA -0.878 56.815 58.000 -0.512 0.000 0.972 133 F CB 2.009 40.546 39.000 -0.770 0.000 1.150 133 F HN 0.389 nan 8.300 nan 0.000 0.467 134 L N 4.854 125.907 121.223 -0.283 0.000 2.384 134 L HA 0.465 4.819 4.340 0.023 0.000 0.261 134 L C -1.238 175.606 176.870 -0.044 0.000 1.024 134 L CA -0.356 54.396 54.840 -0.147 0.000 0.899 134 L CB -0.421 41.599 42.059 -0.064 0.000 1.243 134 L HN 0.269 nan 8.230 nan 0.000 0.449 135 F N 1.223 121.265 119.950 0.154 0.000 2.411 135 F HA 0.416 4.958 4.527 0.025 0.000 0.324 135 F C 1.461 177.325 175.800 0.107 0.000 1.086 135 F CA -0.739 57.346 58.000 0.141 0.000 1.028 135 F CB 0.610 39.700 39.000 0.151 0.000 1.284 135 F HN 0.346 nan 8.300 nan 0.000 0.501 136 D N -0.797 119.795 120.400 0.321 0.000 2.324 136 D HA 0.015 4.669 4.640 0.023 0.000 0.212 136 D C -0.339 176.061 176.300 0.166 0.000 0.984 136 D CA 1.006 55.121 54.000 0.192 0.000 0.885 136 D CB 0.266 41.158 40.800 0.153 0.000 0.996 136 D HN 0.513 nan 8.370 nan 0.000 0.505 137 D N -0.355 120.152 120.400 0.178 0.000 2.970 137 D HA 0.388 5.042 4.640 0.023 0.000 0.230 137 D C -1.745 174.613 176.300 0.096 0.000 1.276 137 D CA -0.637 53.435 54.000 0.119 0.000 0.910 137 D CB 1.907 42.764 40.800 0.094 0.000 1.590 137 D HN -0.181 nan 8.370 nan 0.000 0.551 138 I N 2.858 123.485 120.570 0.095 0.000 2.468 138 I HA 0.531 4.715 4.170 0.023 0.000 0.285 138 I C -1.542 174.588 176.117 0.021 0.000 1.039 138 I CA -0.215 61.141 61.300 0.093 0.000 1.074 138 I CB 1.138 39.278 38.000 0.234 0.000 1.228 138 I HN 0.383 nan 8.210 nan 0.000 0.436 139 R N 6.832 127.332 120.500 -0.000 0.000 2.599 139 R HA 0.839 5.193 4.340 0.023 0.000 0.295 139 R C -1.471 174.756 176.300 -0.121 0.000 0.963 139 R CA -0.469 55.559 56.100 -0.121 0.000 0.883 139 R CB 1.724 32.026 30.300 0.002 0.000 1.171 139 R HN 0.591 nan 8.270 nan 0.000 0.450 140 F N -1.147 118.649 119.950 -0.257 0.000 2.741 140 F HA 0.905 5.446 4.527 0.023 0.000 0.313 140 F C -0.489 175.004 175.800 -0.512 0.000 1.153 140 F CA -1.226 56.433 58.000 -0.569 0.000 0.931 140 F CB 1.528 40.345 39.000 -0.305 0.000 1.335 140 F HN 0.627 nan 8.300 nan 0.000 0.460 141 G N -0.265 108.406 108.800 -0.216 0.000 2.377 141 G HA2 0.714 4.688 3.960 0.023 0.000 0.297 141 G HA3 0.714 4.688 3.960 0.023 0.000 0.297 141 G C -2.533 172.409 174.900 0.069 0.000 1.547 141 G CA -0.271 44.846 45.100 0.029 0.000 0.833 141 G HN 1.586 nan 8.290 nan 0.000 0.583 142 A N -0.170 122.700 122.820 0.084 0.000 2.422 142 A HA 1.001 5.335 4.320 0.023 0.000 0.302 142 A C -0.143 177.476 177.584 0.058 0.000 1.041 142 A CA 0.151 52.226 52.037 0.064 0.000 0.708 142 A CB 1.873 20.898 19.000 0.041 0.000 1.257 142 A HN 2.286 nan 8.150 nan 0.000 0.414 143 S N 1.554 117.284 115.700 0.049 0.000 2.638 143 S HA 0.488 4.972 4.470 0.023 0.000 0.274 143 S C 0.836 175.456 174.600 0.033 0.000 1.157 143 S CA -0.018 58.204 58.200 0.037 0.000 0.826 143 S CB 0.813 64.032 63.200 0.031 0.000 1.139 143 S HN 1.307 nan 8.310 nan 0.000 0.474 144 I N 2.197 122.784 120.570 0.029 0.000 2.194 144 I HA -0.156 4.028 4.170 0.023 0.000 0.246 144 I C 1.983 178.118 176.117 0.030 0.000 1.093 144 I CA 2.343 63.662 61.300 0.033 0.000 1.355 144 I CB -0.229 37.788 38.000 0.028 0.000 1.046 144 I HN 0.827 nan 8.210 nan 0.000 0.413 145 S N -0.317 115.390 115.700 0.012 0.000 2.603 145 S HA 0.418 4.902 4.470 0.023 0.000 0.220 145 S C 0.630 175.206 174.600 -0.041 0.000 0.967 145 S CA 0.121 58.316 58.200 -0.008 0.000 0.920 145 S CB -0.043 63.145 63.200 -0.019 0.000 0.773 145 S HN 0.742 nan 8.310 nan 0.000 0.529 146 G N 0.113 108.899 108.800 -0.024 0.000 2.356 146 G HA2 0.414 4.388 3.960 0.023 0.000 0.288 146 G HA3 0.414 4.388 3.960 0.023 0.000 0.288 146 G C -1.219 173.684 174.900 0.005 0.000 1.302 146 G CA -0.310 44.757 45.100 -0.055 0.000 0.887 146 G HN 1.252 nan 8.290 nan 0.000 0.521 147 S N -0.617 115.088 115.700 0.008 0.000 2.567 147 S HA 0.858 5.342 4.470 0.023 0.000 0.270 147 S C -1.121 173.551 174.600 0.119 0.000 1.152 147 S CA 0.002 58.244 58.200 0.070 0.000 0.835 147 S CB 2.224 65.436 63.200 0.021 0.000 1.115 147 S HN 2.428 nan 8.310 nan 0.000 0.459 148 H N -0.972 118.084 119.070 -0.023 0.000 3.037 148 H HA 0.815 5.386 4.556 0.024 0.000 0.336 148 H C -2.098 173.247 175.328 0.028 0.000 1.323 148 H CA -0.882 55.150 56.048 -0.026 0.000 1.159 148 H CB 0.990 30.730 29.762 -0.038 0.000 1.882 148 H HN 1.062 nan 8.280 nan 0.000 0.535 149 V N 0.781 120.657 119.914 -0.064 0.000 2.808 149 V HA 0.799 4.933 4.120 0.023 0.000 0.308 149 V C -1.331 174.755 176.094 -0.013 0.000 1.099 149 V CA 0.077 62.336 62.300 -0.070 0.000 0.920 149 V CB 1.454 33.233 31.823 -0.073 0.000 1.014 149 V HN 1.327 nan 8.190 nan 0.000 0.425 150 A N 7.322 130.143 122.820 0.002 0.000 2.411 150 A HA 0.826 5.160 4.320 0.023 0.000 0.285 150 A C -1.049 176.482 177.584 -0.088 0.000 1.129 150 A CA -0.419 51.596 52.037 -0.038 0.000 0.736 150 A CB 0.922 19.945 19.000 0.037 0.000 1.186 150 A HN 0.816 nan 8.150 nan 0.000 0.445 151 I N 1.835 122.282 120.570 -0.204 0.000 2.359 151 I HA 0.460 4.644 4.170 0.023 0.000 0.294 151 I C -0.759 175.308 176.117 -0.083 0.000 0.987 151 I CA -0.225 60.889 61.300 -0.310 0.000 1.225 151 I CB 1.903 39.573 38.000 -0.551 0.000 1.366 151 I HN 0.602 nan 8.210 nan 0.000 0.466 152 D N 4.204 124.605 120.400 0.001 0.000 2.947 152 D HA 0.458 5.112 4.640 0.023 0.000 0.224 152 D C -1.761 174.682 176.300 0.238 0.000 1.230 152 D CA -0.274 53.887 54.000 0.269 0.000 0.871 152 D CB 2.177 43.116 40.800 0.233 0.000 1.671 152 D HN 0.482 nan 8.370 nan 0.000 0.507 153 D N 2.109 122.659 120.400 0.251 0.000 2.736 153 D HA 0.209 4.863 4.640 0.023 0.000 0.223 153 D C 0.583 176.900 176.300 0.028 0.000 1.231 153 D CA -0.624 53.481 54.000 0.175 0.000 0.818 153 D CB 1.591 42.558 40.800 0.278 0.000 1.587 153 D HN 0.227 nan 8.370 nan 0.000 0.463 154 I N 2.042 122.638 120.570 0.042 0.000 2.315 154 I HA -0.139 4.045 4.170 0.023 0.000 0.251 154 I C 1.316 177.383 176.117 -0.084 0.000 1.125 154 I CA 1.786 63.070 61.300 -0.027 0.000 1.392 154 I CB -0.003 37.958 38.000 -0.065 0.000 1.065 154 I HN 0.535 nan 8.210 nan 0.000 0.424 155 E N 0.278 120.436 120.200 -0.071 0.000 2.489 155 E HA 0.112 4.477 4.350 0.023 0.000 0.193 155 E C 0.940 177.397 176.600 -0.239 0.000 1.057 155 E CA 0.199 56.550 56.400 -0.082 0.000 0.866 155 E CB -0.181 29.537 29.700 0.030 0.000 0.916 155 E HN 0.571 nan 8.360 nan 0.000 0.500 156 G N 0.658 109.135 108.800 -0.538 0.000 2.354 156 G HA2 0.189 4.163 3.960 0.023 0.000 0.266 156 G HA3 0.189 4.163 3.960 0.023 0.000 0.266 156 G C 1.006 175.377 174.900 -0.882 0.000 1.242 156 G CA 0.201 44.529 45.100 -1.286 0.000 0.923 156 G HN 0.162 nan 8.290 nan 0.000 0.476 157 A N 3.041 125.609 122.820 -0.419 0.000 1.997 157 A HA -0.176 4.158 4.320 0.023 0.000 0.221 157 A C 1.972 179.560 177.584 0.007 0.000 1.172 157 A CA 1.947 53.924 52.037 -0.100 0.000 0.645 157 A CB -0.727 18.308 19.000 0.059 0.000 0.813 157 A HN 1.147 nan 8.150 nan 0.000 0.454 158 W N -0.348 120.988 121.300 0.059 0.000 2.468 158 W HA -0.054 4.620 4.660 0.023 0.000 0.262 158 W C 0.983 177.529 176.519 0.046 0.000 1.241 158 W CA 0.847 58.218 57.345 0.043 0.000 1.232 158 W CB -1.048 28.430 29.460 0.031 0.000 1.124 158 W HN 0.328 nan 8.180 nan 0.000 0.597 159 N N 0.818 119.444 118.700 -0.124 0.000 2.449 159 N HA -0.094 4.660 4.740 0.023 0.000 0.191 159 N C 1.828 177.380 175.510 0.071 0.000 1.161 159 N CA 0.802 53.863 53.050 0.018 0.000 0.863 159 N CB -0.060 38.441 38.487 0.023 0.000 0.980 159 N HN 0.269 nan 8.380 nan 0.000 0.458 160 S N -0.322 115.405 115.700 0.045 0.000 2.419 160 S HA -0.191 4.293 4.470 0.023 0.000 0.235 160 S C 1.887 176.513 174.600 0.044 0.000 1.019 160 S CA 1.422 59.646 58.200 0.041 0.000 0.982 160 S CB -0.367 62.851 63.200 0.030 0.000 0.789 160 S HN 0.364 nan 8.310 nan 0.000 0.490 161 S N 0.118 115.846 115.700 0.046 0.000 2.524 161 S HA 0.149 4.633 4.470 0.023 0.000 0.216 161 S C 0.611 175.205 174.600 -0.011 0.000 0.987 161 S CA -0.215 57.999 58.200 0.024 0.000 0.909 161 S CB -0.673 62.546 63.200 0.032 0.000 0.781 161 S HN 0.391 nan 8.310 nan 0.000 0.521 162 T N 3.784 118.313 114.554 -0.042 0.000 2.888 162 T HA 0.177 4.541 4.350 0.023 0.000 0.301 162 T C -0.111 174.436 174.700 -0.256 0.000 1.001 162 T CA 0.063 62.040 62.100 -0.204 0.000 1.147 162 T CB 0.468 69.075 68.868 -0.436 0.000 0.931 162 T HN 0.309 nan 8.240 nan 0.000 0.541 163 K N 2.737 122.995 120.400 -0.236 0.000 2.297 163 K HA 0.168 4.502 4.320 0.023 0.000 0.286 163 K C -0.294 176.155 176.600 -0.252 0.000 1.053 163 K CA -0.173 56.023 56.287 -0.152 0.000 0.940 163 K CB 0.650 33.102 32.500 -0.080 0.000 1.019 163 K HN 0.634 nan 8.250 nan 0.000 0.475 164 Y N 1.147 121.452 120.300 0.009 0.000 2.445 164 Y HA -0.068 4.496 4.550 0.024 0.000 0.247 164 Y C 1.314 177.219 175.900 0.009 0.000 1.129 164 Y CA 0.191 58.297 58.100 0.010 0.000 1.251 164 Y CB 0.295 38.759 38.460 0.008 0.000 1.176 164 Y HN 0.905 nan 8.280 nan 0.000 0.522 165 E N -1.896 118.386 120.200 0.136 0.000 4.586 165 E HA -0.309 4.055 4.350 0.023 0.000 0.271 165 E C 1.554 178.200 176.600 0.077 0.000 0.767 165 E CA 1.534 57.986 56.400 0.086 0.000 1.491 165 E CB -1.803 27.938 29.700 0.068 0.000 1.758 165 E HN 0.412 nan 8.360 nan 0.000 0.398 166 G N 0.693 109.549 108.800 0.094 0.000 2.464 166 G HA2 0.404 4.378 3.960 0.023 0.000 0.217 166 G HA3 0.404 4.378 3.960 0.023 0.000 0.217 166 G C 1.012 175.943 174.900 0.052 0.000 1.138 166 G CA 0.486 45.617 45.100 0.053 0.000 0.793 166 G HN 1.346 nan 8.290 nan 0.000 0.539 167 G N -0.950 107.903 108.800 0.089 0.000 2.406 167 G HA2 -0.127 3.847 3.960 0.023 0.000 0.680 167 G HA3 -0.127 3.847 3.960 0.023 0.000 0.680 167 G C 0.135 175.103 174.900 0.112 0.000 1.338 167 G CA 0.227 45.375 45.100 0.081 0.000 0.941 167 G HN 0.148 nan 8.290 nan 0.000 0.633 168 N N 0.246 119.016 118.700 0.116 0.000 2.402 168 N HA -0.054 4.700 4.740 0.023 0.000 0.174 168 N C 1.529 177.054 175.510 0.025 0.000 1.027 168 N CA 1.358 54.504 53.050 0.160 0.000 0.891 168 N CB -0.238 38.360 38.487 0.186 0.000 1.016 168 N HN 0.606 nan 8.380 nan 0.000 0.439 169 K N -1.356 119.043 120.400 -0.002 0.000 3.580 169 K HA -0.218 4.116 4.320 0.023 0.000 0.288 169 K C 1.095 177.619 176.600 -0.128 0.000 1.160 169 K CA 1.332 57.602 56.287 -0.029 0.000 1.053 169 K CB -2.226 30.272 32.500 -0.003 0.000 1.362 169 K HN 0.422 nan 8.250 nan 0.000 0.436 170 G N 1.176 109.898 108.800 -0.129 0.000 2.230 170 G HA2 -0.357 3.617 3.960 0.023 0.000 0.270 170 G HA3 -0.357 3.617 3.960 0.023 0.000 0.270 170 G C 0.035 174.743 174.900 -0.321 0.000 0.987 170 G CA 1.280 46.255 45.100 -0.210 0.000 0.664 170 G HN 0.607 nan 8.290 nan 0.000 0.539 171 H N 0.182 119.242 119.070 -0.016 0.000 2.723 171 H HA 0.601 5.171 4.556 0.023 0.000 0.294 171 H C 0.672 175.982 175.328 -0.030 0.000 1.079 171 H CA 0.221 56.257 56.048 -0.020 0.000 1.411 171 H CB 0.912 30.661 29.762 -0.021 0.000 1.439 171 H HN 0.484 nan 8.280 nan 0.000 0.474 172 R N 3.728 124.257 120.500 0.048 0.000 2.594 172 R HA 0.233 4.587 4.340 0.023 0.000 0.265 172 R C -3.011 173.285 176.300 -0.007 0.000 1.070 172 R CA -1.665 54.435 56.100 0.000 0.000 0.909 172 R CB 2.149 32.428 30.300 -0.035 0.000 1.243 172 R HN 0.374 nan 8.270 nan 0.000 0.455 173 P HA 0.109 nan 4.420 nan 0.000 0.271 173 P C 0.035 177.334 177.300 -0.002 0.000 1.233 173 P CA 0.038 63.118 63.100 -0.033 0.000 0.764 173 P CB 1.092 32.740 31.700 -0.086 0.000 0.825 174 G N 2.160 110.968 108.800 0.014 0.000 2.647 174 G HA2 0.166 4.141 3.960 0.023 0.000 0.271 174 G HA3 0.166 4.141 3.960 0.023 0.000 0.271 174 G C 1.353 176.291 174.900 0.063 0.000 1.300 174 G CA -0.040 45.082 45.100 0.036 0.000 0.997 174 G HN 0.375 nan 8.290 nan 0.000 0.533 175 V N -1.888 118.078 119.914 0.086 0.000 2.255 175 V HA -0.025 4.109 4.120 0.023 0.000 0.247 175 V C 1.829 177.982 176.094 0.099 0.000 1.051 175 V CA 2.103 64.471 62.300 0.115 0.000 1.018 175 V CB -0.593 31.298 31.823 0.114 0.000 0.641 175 V HN 0.548 nan 8.190 nan 0.000 0.445 176 K N 0.981 121.421 120.400 0.067 0.000 2.570 176 K HA 0.367 4.701 4.320 0.023 0.000 0.210 176 K C 1.262 177.894 176.600 0.054 0.000 1.048 176 K CA 0.473 56.795 56.287 0.059 0.000 1.167 176 K CB 0.411 32.928 32.500 0.030 0.000 0.892 176 K HN 0.634 nan 8.250 nan 0.000 0.480 177 G N -0.219 108.613 108.800 0.053 0.000 3.502 177 G HA2 0.020 3.994 3.960 0.023 0.000 0.267 177 G HA3 0.020 3.994 3.960 0.023 0.000 0.267 177 G C 0.975 175.875 174.900 0.000 0.000 1.090 177 G CA -0.246 44.876 45.100 0.035 0.000 0.795 177 G HN 0.327 nan 8.290 nan 0.000 0.535 178 G N -0.167 108.632 108.800 -0.001 0.000 2.650 178 G HA2 -0.081 3.893 3.960 0.023 0.000 0.214 178 G HA3 -0.081 3.893 3.960 0.023 0.000 0.214 178 G C 0.293 175.117 174.900 -0.126 0.000 1.136 178 G CA -0.157 44.816 45.100 -0.212 0.000 0.789 178 G HN 0.372 nan 8.290 nan 0.000 0.536 179 Y N 1.059 121.320 120.300 -0.064 0.000 2.620 179 Y HA 0.354 4.917 4.550 0.022 0.000 0.352 179 Y C 0.268 176.182 175.900 0.023 0.000 1.140 179 Y CA -0.905 57.153 58.100 -0.070 0.000 1.529 179 Y CB -0.386 37.931 38.460 -0.238 0.000 1.321 179 Y HN 0.181 nan 8.280 nan 0.000 0.501 180 F N 1.313 121.075 119.950 -0.313 0.000 2.544 180 F HA -0.217 4.324 4.527 0.022 0.000 0.389 180 F C -1.717 173.987 175.800 -0.159 0.000 0.588 180 F CA -0.393 57.434 58.000 -0.289 0.000 1.461 180 F CB -2.429 36.374 39.000 -0.329 0.000 1.995 180 F HN 0.391 nan 8.300 nan 0.000 0.282 181 P HA 0.391 nan 4.420 nan 0.000 0.269 181 P C 0.063 177.338 177.300 -0.042 0.000 1.209 181 P CA -0.125 62.971 63.100 -0.007 0.000 0.776 181 P CB 0.762 32.450 31.700 -0.019 0.000 0.876 182 V N 0.351 120.237 119.914 -0.047 0.000 3.096 182 V HA 0.250 4.384 4.120 0.023 0.000 0.306 182 V C -2.241 173.821 176.094 -0.054 0.000 1.088 182 V CA -1.889 60.375 62.300 -0.059 0.000 1.129 182 V CB -1.035 30.751 31.823 -0.061 0.000 1.014 182 V HN 0.433 nan 8.190 nan 0.000 0.486 183 P HA 0.077 nan 4.420 nan 0.000 0.266 183 P C -1.783 175.467 177.300 -0.082 0.000 1.186 183 P CA -0.429 62.644 63.100 -0.046 0.000 0.767 183 P CB -0.129 31.551 31.700 -0.034 0.000 0.820 184 P HA -0.018 nan 4.420 nan 0.000 0.245 184 P C 0.937 178.232 177.300 -0.009 0.000 1.212 184 P CA 0.492 63.557 63.100 -0.057 0.000 0.774 184 P CB 0.138 31.800 31.700 -0.063 0.000 0.999 185 V N 0.761 120.667 119.914 -0.013 0.000 2.407 185 V HA -0.148 3.986 4.120 0.023 0.000 0.248 185 V C 1.192 177.284 176.094 -0.002 0.000 1.055 185 V CA 1.820 64.130 62.300 0.017 0.000 1.049 185 V CB -1.115 30.708 31.823 -0.001 0.000 0.662 185 V HN 0.204 nan 8.190 nan 0.000 0.455 186 D N -0.196 120.201 120.400 -0.005 0.000 2.411 186 D HA 0.106 4.760 4.640 0.023 0.000 0.225 186 D C 1.362 177.693 176.300 0.053 0.000 1.156 186 D CA 0.603 54.635 54.000 0.054 0.000 0.874 186 D CB 1.236 42.066 40.800 0.052 0.000 1.034 186 D HN 0.265 nan 8.370 nan 0.000 0.502 187 S N 2.611 118.348 115.700 0.062 0.000 2.481 187 S HA -0.058 4.426 4.470 0.023 0.000 0.231 187 S C 1.533 176.129 174.600 -0.007 0.000 0.996 187 S CA 0.484 58.697 58.200 0.023 0.000 0.942 187 S CB 0.022 63.233 63.200 0.018 0.000 0.768 187 S HN 0.392 nan 8.310 nan 0.000 0.520 188 A N 0.437 123.246 122.820 -0.020 0.000 2.415 188 A HA 0.401 4.735 4.320 0.023 0.000 0.248 188 A C 1.806 179.308 177.584 -0.137 0.000 1.299 188 A CA 0.188 52.159 52.037 -0.109 0.000 0.899 188 A CB -0.349 18.552 19.000 -0.166 0.000 0.997 188 A HN 0.461 nan 8.150 nan 0.000 0.506 189 Q N 1.130 120.892 119.800 -0.064 0.000 2.045 189 Q HA -0.217 4.137 4.340 0.023 0.000 0.206 189 Q C 1.080 177.020 176.000 -0.099 0.000 0.991 189 Q CA 2.528 58.309 55.803 -0.037 0.000 0.851 189 Q CB -0.208 28.538 28.738 0.014 0.000 0.911 189 Q HN 0.582 nan 8.270 nan 0.000 0.418 190 D N -0.495 119.854 120.400 -0.085 0.000 2.144 190 D HA -0.107 4.547 4.640 0.023 0.000 0.199 190 D C 1.912 178.043 176.300 -0.281 0.000 0.984 190 D CA 1.219 55.167 54.000 -0.086 0.000 0.834 190 D CB -0.107 40.715 40.800 0.038 0.000 0.955 190 D HN 0.408 nan 8.370 nan 0.000 0.465 191 I N 0.619 120.883 120.570 -0.510 0.000 2.202 191 I HA -0.194 3.990 4.170 0.023 0.000 0.242 191 I C 2.509 178.324 176.117 -0.503 0.000 1.091 191 I CA 0.863 61.654 61.300 -0.848 0.000 1.368 191 I CB -0.177 37.342 38.000 -0.802 0.000 1.058 191 I HN -0.112 nan 8.210 nan 0.000 0.410 192 R N 0.517 120.754 120.500 -0.438 0.000 2.075 192 R HA -0.093 4.261 4.340 0.023 0.000 0.232 192 R C 2.546 178.475 176.300 -0.619 0.000 1.126 192 R CA 1.592 57.375 56.100 -0.529 0.000 0.963 192 R CB -0.428 29.427 30.300 -0.743 0.000 0.858 192 R HN 0.253 nan 8.270 nan 0.000 0.435 193 S N 0.822 116.194 115.700 -0.546 0.000 2.383 193 S HA -0.150 4.334 4.470 0.023 0.000 0.229 193 S C 1.747 176.297 174.600 -0.084 0.000 1.030 193 S CA 1.043 59.144 58.200 -0.165 0.000 1.002 193 S CB -0.121 63.095 63.200 0.027 0.000 0.829 193 S HN 0.312 nan 8.310 nan 0.000 0.467 194 E N 0.818 120.956 120.200 -0.103 0.000 2.077 194 E HA -0.103 4.261 4.350 0.023 0.000 0.193 194 E C 2.022 178.598 176.600 -0.041 0.000 0.989 194 E CA 0.943 57.329 56.400 -0.024 0.000 0.800 194 E CB -0.181 29.545 29.700 0.043 0.000 0.746 194 E HN 0.538 nan 8.360 nan 0.000 0.452 195 M N -0.260 119.266 119.600 -0.123 0.000 2.159 195 M HA -0.208 4.286 4.480 0.023 0.000 0.263 195 M C 2.628 178.875 176.300 -0.087 0.000 1.063 195 M CA 1.108 56.331 55.300 -0.128 0.000 1.110 195 M CB -0.358 32.113 32.600 -0.215 0.000 1.374 195 M HN 0.221 nan 8.290 nan 0.000 0.411 196 C N 0.428 119.691 119.300 -0.061 0.000 2.432 196 C HA -0.117 4.357 4.460 0.023 0.000 0.277 196 C C 2.688 177.684 174.990 0.009 0.000 1.249 196 C CA 0.643 59.667 59.018 0.010 0.000 1.725 196 C CB -1.100 26.693 27.740 0.087 0.000 2.028 196 C HN 0.526 nan 8.230 nan 0.000 0.477 197 L N 0.425 121.651 121.223 0.005 0.000 2.017 197 L HA -0.128 4.226 4.340 0.023 0.000 0.208 197 L C 2.563 179.422 176.870 -0.018 0.000 1.073 197 L CA 1.266 56.107 54.840 0.002 0.000 0.745 197 L CB -0.876 41.188 42.059 0.008 0.000 0.894 197 L HN 0.204 nan 8.230 nan 0.000 0.432 198 V N -0.451 119.446 119.914 -0.028 0.000 2.515 198 V HA -0.275 3.859 4.120 0.023 0.000 0.250 198 V C 2.481 178.544 176.094 -0.053 0.000 1.058 198 V CA 1.610 63.869 62.300 -0.067 0.000 1.064 198 V CB -0.361 31.424 31.823 -0.063 0.000 0.675 198 V HN 0.385 nan 8.190 nan 0.000 0.461 199 M N -0.694 118.890 119.600 -0.027 0.000 2.117 199 M HA -0.188 4.306 4.480 0.023 0.000 0.262 199 M C 2.250 178.553 176.300 0.005 0.000 1.065 199 M CA 1.838 57.136 55.300 -0.003 0.000 1.114 199 M CB -0.432 32.174 32.600 0.011 0.000 1.361 199 M HN 0.371 nan 8.290 nan 0.000 0.408 200 E N -0.120 120.081 120.200 0.001 0.000 2.106 200 E HA -0.255 4.109 4.350 0.023 0.000 0.192 200 E C 1.942 178.535 176.600 -0.012 0.000 0.984 200 E CA 1.001 57.401 56.400 -0.000 0.000 0.806 200 E CB -0.259 29.442 29.700 0.003 0.000 0.750 200 E HN 0.574 nan 8.360 nan 0.000 0.458 201 Q N 0.073 119.856 119.800 -0.028 0.000 2.291 201 Q HA -0.101 4.253 4.340 0.023 0.000 0.206 201 Q C 1.631 177.602 176.000 -0.048 0.000 0.976 201 Q CA 0.934 56.711 55.803 -0.043 0.000 0.875 201 Q CB 0.131 28.827 28.738 -0.070 0.000 0.927 201 Q HN 0.263 nan 8.270 nan 0.000 0.450 202 M N -1.726 117.851 119.600 -0.038 0.000 2.383 202 M HA 0.188 4.682 4.480 0.023 0.000 0.247 202 M C 0.617 176.917 176.300 -0.001 0.000 1.117 202 M CA 0.613 55.898 55.300 -0.025 0.000 0.995 202 M CB 1.267 33.860 32.600 -0.011 0.000 1.480 202 M HN 0.356 nan 8.290 nan 0.000 0.485 203 G N 1.168 109.968 108.800 -0.000 0.000 2.134 203 G HA2 -0.177 3.797 3.960 0.023 0.000 0.209 203 G HA3 -0.177 3.797 3.960 0.023 0.000 0.209 203 G C -0.440 174.463 174.900 0.006 0.000 0.993 203 G CA -0.474 44.629 45.100 0.004 0.000 0.669 203 G HN 0.283 nan 8.290 nan 0.000 0.519 204 L N 0.109 121.342 121.223 0.016 0.000 2.375 204 L HA 0.776 5.130 4.340 0.023 0.000 0.268 204 L C 0.551 177.426 176.870 0.009 0.000 1.058 204 L CA -0.993 53.862 54.840 0.024 0.000 0.803 204 L CB 1.998 44.097 42.059 0.067 0.000 1.212 204 L HN -0.033 nan 8.230 nan 0.000 0.451 205 V N 2.462 122.372 119.914 -0.006 0.000 2.334 205 V HA 0.334 4.468 4.120 0.023 0.000 0.281 205 V C -0.177 175.926 176.094 0.015 0.000 1.016 205 V CA -0.811 61.480 62.300 -0.014 0.000 0.832 205 V CB 1.593 33.379 31.823 -0.062 0.000 0.999 205 V HN 0.428 nan 8.190 nan 0.000 0.439 206 V N 5.135 125.072 119.914 0.037 0.000 2.637 206 V HA 0.182 4.316 4.120 0.023 0.000 0.296 206 V C 1.077 177.198 176.094 0.046 0.000 1.046 206 V CA 0.208 62.548 62.300 0.067 0.000 1.066 206 V CB 1.187 33.059 31.823 0.083 0.000 0.968 206 V HN 0.964 nan 8.190 nan 0.000 0.483 207 E N 2.635 122.871 120.200 0.060 0.000 2.290 207 E HA 0.479 4.843 4.350 0.023 0.000 0.199 207 E C 0.340 176.965 176.600 0.042 0.000 0.912 207 E CA 0.707 57.132 56.400 0.043 0.000 0.924 207 E CB 1.007 30.737 29.700 0.049 0.000 0.901 207 E HN 0.791 nan 8.360 nan 0.000 0.487 208 A N 1.018 123.884 122.820 0.076 0.000 2.608 208 A HA 0.507 4.841 4.320 0.023 0.000 0.292 208 A C -1.825 175.839 177.584 0.135 0.000 1.066 208 A CA -0.898 51.175 52.037 0.059 0.000 0.676 208 A CB 0.962 20.017 19.000 0.091 0.000 1.277 208 A HN 0.321 nan 8.150 nan 0.000 0.413 209 H N -0.439 118.679 119.070 0.080 0.000 2.771 209 H HA 0.890 5.459 4.556 0.023 0.000 0.361 209 H C -0.888 174.461 175.328 0.035 0.000 1.108 209 H CA -0.335 55.731 56.048 0.031 0.000 1.201 209 H CB 0.985 30.744 29.762 -0.005 0.000 1.681 209 H HN 1.197 nan 8.280 nan 0.000 0.534 210 H N -0.637 118.520 119.070 0.146 0.000 3.014 210 H HA 0.328 4.898 4.556 0.023 0.000 0.337 210 H C -1.236 174.125 175.328 0.055 0.000 1.320 210 H CA -1.136 54.940 56.048 0.046 0.000 1.128 210 H CB 0.788 30.520 29.762 -0.050 0.000 1.862 210 H HN 0.814 nan 8.280 nan 0.000 0.536 211 H N 1.207 120.316 119.070 0.065 0.000 2.732 211 H HA 0.180 4.750 4.556 0.024 0.000 0.351 211 H C -0.172 175.230 175.328 0.123 0.000 1.090 211 H CA 0.351 56.395 56.048 -0.007 0.000 1.431 211 H CB 0.960 30.730 29.762 0.014 0.000 1.447 211 H HN 0.696 nan 8.280 nan 0.000 0.582 212 E N 2.449 122.791 120.200 0.236 0.000 2.700 212 E HA 0.077 4.441 4.350 0.023 0.000 0.253 212 E C 1.375 178.221 176.600 0.411 0.000 1.175 212 E CA -0.707 55.883 56.400 0.316 0.000 1.010 212 E CB 1.280 30.974 29.700 -0.011 0.000 1.284 212 E HN 0.419 nan 8.360 nan 0.000 0.557 213 V N 0.740 120.835 119.914 0.301 0.000 2.407 213 V HA -0.153 3.981 4.120 0.023 0.000 0.248 213 V C 0.967 177.167 176.094 0.177 0.000 1.055 213 V CA 1.681 64.106 62.300 0.209 0.000 1.049 213 V CB -0.477 31.385 31.823 0.064 0.000 0.662 213 V HN 0.606 nan 8.190 nan 0.000 0.455 214 A N -0.108 122.825 122.820 0.187 0.000 2.425 214 A HA 0.370 4.704 4.320 0.023 0.000 0.249 214 A C 0.710 178.479 177.584 0.309 0.000 1.084 214 A CA 0.552 52.750 52.037 0.268 0.000 0.781 214 A CB 0.177 19.437 19.000 0.433 0.000 1.019 214 A HN 0.324 nan 8.150 nan 0.000 0.490 215 T N 0.857 115.571 114.554 0.267 0.000 2.640 215 T HA 0.357 4.721 4.350 0.023 0.000 0.316 215 T C 1.119 175.997 174.700 0.296 0.000 1.036 215 T CA 1.245 63.470 62.100 0.208 0.000 1.009 215 T CB -0.058 68.887 68.868 0.127 0.000 1.017 215 T HN 2.380 nan 8.240 nan 0.000 0.530 216 A N -0.025 122.881 122.820 0.144 0.000 2.822 216 A HA 0.091 4.425 4.320 0.023 0.000 0.287 216 A C 1.406 179.279 177.584 0.481 0.000 1.479 216 A CA 1.402 53.584 52.037 0.241 0.000 0.779 216 A CB -2.294 16.910 19.000 0.339 0.000 1.022 216 A HN 2.644 nan 8.150 nan 0.000 0.532 217 G N -2.007 106.963 108.800 0.284 0.000 2.204 217 G HA2 -0.161 3.813 3.960 0.023 0.000 0.244 217 G HA3 -0.161 3.813 3.960 0.023 0.000 0.244 217 G C -0.178 174.553 174.900 -0.282 0.000 1.062 217 G CA 0.788 45.910 45.100 0.037 0.000 0.798 217 G HN 1.539 nan 8.290 nan 0.000 0.496 218 Q N -0.360 119.180 119.800 -0.434 0.000 2.286 218 Q HA 0.523 4.877 4.340 0.023 0.000 0.257 218 Q C 0.247 175.691 176.000 -0.927 0.000 0.941 218 Q CA 0.001 55.221 55.803 -0.972 0.000 0.912 218 Q CB 0.385 28.620 28.738 -0.839 0.000 1.192 218 Q HN 0.583 nan 8.270 nan 0.000 0.410 219 N N 1.906 119.934 118.700 -1.120 0.000 2.455 219 N HA 0.388 5.142 4.740 0.023 0.000 0.278 219 N C -1.872 172.989 175.510 -1.080 0.000 1.291 219 N CA -0.737 51.638 53.050 -1.126 0.000 0.780 219 N CB 1.994 39.700 38.487 -1.302 0.000 1.520 219 N HN 0.455 nan 8.380 nan 0.000 0.486 220 E N 0.767 120.562 120.200 -0.675 0.000 2.291 220 E HA 0.376 4.740 4.350 0.023 0.000 0.276 220 E C -1.841 174.712 176.600 -0.078 0.000 0.896 220 E CA -0.533 55.676 56.400 -0.318 0.000 0.774 220 E CB 1.579 31.035 29.700 -0.407 0.000 1.227 220 E HN 0.222 nan 8.360 nan 0.000 0.413 221 V N 3.227 123.317 119.914 0.293 0.000 2.328 221 V HA 0.527 4.661 4.120 0.023 0.000 0.278 221 V C 0.149 176.451 176.094 0.347 0.000 1.021 221 V CA -0.555 61.933 62.300 0.313 0.000 0.838 221 V CB 1.017 33.023 31.823 0.305 0.000 0.999 221 V HN 0.759 nan 8.190 nan 0.000 0.447 222 A N 3.834 126.791 122.820 0.228 0.000 2.366 222 A HA 0.682 5.016 4.320 0.023 0.000 0.272 222 A C 0.234 177.916 177.584 0.162 0.000 1.135 222 A CA -0.054 52.092 52.037 0.182 0.000 0.804 222 A CB 0.717 19.819 19.000 0.171 0.000 1.064 222 A HN 0.678 nan 8.150 nan 0.000 0.499 223 T N 1.821 116.449 114.554 0.125 0.000 2.886 223 T HA 0.385 4.749 4.350 0.023 0.000 0.292 223 T C 0.032 174.763 174.700 0.051 0.000 1.012 223 T CA -0.590 61.571 62.100 0.101 0.000 0.982 223 T CB 0.643 69.601 68.868 0.150 0.000 1.018 223 T HN 0.781 nan 8.240 nan 0.000 0.451 224 R N 3.315 123.815 120.500 0.000 0.000 2.585 224 R HA 0.197 4.551 4.340 0.023 0.000 0.275 224 R C 0.422 176.648 176.300 -0.124 0.000 1.018 224 R CA -0.239 55.810 56.100 -0.084 0.000 1.072 224 R CB 0.088 30.258 30.300 -0.216 0.000 0.953 224 R HN 0.608 nan 8.270 nan 0.000 0.419 225 F N 2.554 122.491 119.950 -0.022 0.000 2.646 225 F HA 0.145 4.667 4.527 -0.008 0.000 0.321 225 F C 0.104 175.898 175.800 -0.010 0.000 1.241 225 F CA -0.350 57.635 58.000 -0.026 0.000 1.365 225 F CB 0.213 39.176 39.000 -0.062 0.000 1.143 225 F HN 0.443 nan 8.300 nan 0.000 0.601 226 N N -1.759 117.123 118.700 0.303 0.000 3.179 226 N HA 0.192 4.946 4.740 0.023 0.000 0.250 226 N C -1.535 174.121 175.510 0.242 0.000 1.507 226 N CA 0.009 53.181 53.050 0.204 0.000 0.883 226 N CB 1.872 40.401 38.487 0.070 0.000 1.435 226 N HN 0.955 nan 8.380 nan 0.000 0.532 227 T N -0.993 113.664 114.554 0.170 0.000 2.918 227 T HA 0.159 4.523 4.350 0.023 0.000 0.302 227 T C 1.860 176.654 174.700 0.156 0.000 1.045 227 T CA -0.144 62.050 62.100 0.157 0.000 1.114 227 T CB 0.667 69.604 68.868 0.116 0.000 0.965 227 T HN 0.560 nan 8.240 nan 0.000 0.540 228 M N 1.960 121.677 119.600 0.196 0.000 2.706 228 M HA -0.237 4.257 4.480 0.023 0.000 0.266 228 M C 2.222 178.578 176.300 0.093 0.000 1.060 228 M CA 2.841 58.190 55.300 0.081 0.000 1.070 228 M CB -1.112 31.558 32.600 0.116 0.000 1.241 228 M HN 0.911 nan 8.290 nan 0.000 0.488 229 T N 0.277 114.914 114.554 0.137 0.000 2.803 229 T HA -0.180 4.184 4.350 0.023 0.000 0.269 229 T C 1.802 176.605 174.700 0.172 0.000 1.052 229 T CA 1.406 63.623 62.100 0.193 0.000 1.136 229 T CB -0.294 68.681 68.868 0.180 0.000 0.864 229 T HN 0.362 nan 8.240 nan 0.000 0.467 230 K N 0.789 121.264 120.400 0.125 0.000 2.103 230 K HA -0.052 4.282 4.320 0.023 0.000 0.204 230 K C 2.357 179.010 176.600 0.088 0.000 1.052 230 K CA 1.029 57.377 56.287 0.103 0.000 0.945 230 K CB -0.076 32.472 32.500 0.079 0.000 0.722 230 K HN 0.060 nan 8.250 nan 0.000 0.443 231 K N 0.914 121.369 120.400 0.092 0.000 2.057 231 K HA -0.012 4.322 4.320 0.023 0.000 0.206 231 K C 1.756 178.425 176.600 0.115 0.000 1.050 231 K CA 1.428 57.773 56.287 0.096 0.000 0.935 231 K CB -0.412 32.138 32.500 0.084 0.000 0.715 231 K HN 0.150 nan 8.250 nan 0.000 0.439 232 A N 1.257 124.134 122.820 0.094 0.000 1.908 232 A HA -0.200 4.134 4.320 0.023 0.000 0.218 232 A C 1.645 179.009 177.584 -0.366 0.000 1.181 232 A CA 2.141 54.016 52.037 -0.271 0.000 0.627 232 A CB -0.724 17.909 19.000 -0.612 0.000 0.818 232 A HN 0.445 nan 8.150 nan 0.000 0.445 233 D N -0.091 120.267 120.400 -0.071 0.000 2.117 233 D HA -0.139 4.515 4.640 0.023 0.000 0.197 233 D C 1.777 178.094 176.300 0.028 0.000 0.987 233 D CA 1.374 55.410 54.000 0.060 0.000 0.829 233 D CB -0.558 40.328 40.800 0.144 0.000 0.961 233 D HN 0.654 nan 8.370 nan 0.000 0.460 234 E N 0.179 120.400 120.200 0.035 0.000 2.153 234 E HA -0.128 4.236 4.350 0.023 0.000 0.194 234 E C 2.056 178.688 176.600 0.054 0.000 0.988 234 E CA 0.298 56.731 56.400 0.054 0.000 0.811 234 E CB 0.117 29.852 29.700 0.057 0.000 0.746 234 E HN 0.226 nan 8.360 nan 0.000 0.466 235 I N 1.396 121.956 120.570 -0.016 0.000 2.252 235 I HA -0.226 3.958 4.170 0.023 0.000 0.245 235 I C 2.350 178.433 176.117 -0.057 0.000 1.102 235 I CA 1.252 62.507 61.300 -0.075 0.000 1.385 235 I CB -1.006 36.892 38.000 -0.171 0.000 1.064 235 I HN 0.132 nan 8.210 nan 0.000 0.414 236 Q N 0.279 120.037 119.800 -0.069 0.000 2.124 236 Q HA -0.130 4.224 4.340 0.023 0.000 0.202 236 Q C 2.387 178.416 176.000 0.048 0.000 0.977 236 Q CA 1.422 57.213 55.803 -0.020 0.000 0.850 236 Q CB -0.247 28.501 28.738 0.016 0.000 0.901 236 Q HN 0.515 nan 8.270 nan 0.000 0.429 237 I N -0.342 120.273 120.570 0.075 0.000 2.252 237 I HA -0.274 3.910 4.170 0.023 0.000 0.245 237 I C 2.299 178.512 176.117 0.161 0.000 1.102 237 I CA 0.925 62.302 61.300 0.128 0.000 1.385 237 I CB -0.385 37.673 38.000 0.097 0.000 1.064 237 I HN 0.098 nan 8.210 nan 0.000 0.414 238 Y N 2.256 122.553 120.300 -0.006 0.000 2.053 238 Y HA -0.351 4.213 4.550 0.023 0.000 0.277 238 Y C 2.548 178.393 175.900 -0.092 0.000 1.159 238 Y CA 1.867 59.944 58.100 -0.039 0.000 1.125 238 Y CB -0.199 38.226 38.460 -0.059 0.000 0.969 238 Y HN -0.039 nan 8.280 nan 0.000 0.492 239 K N -1.210 119.217 120.400 0.045 0.000 2.063 239 K HA -0.271 4.063 4.320 0.023 0.000 0.208 239 K C 2.028 178.580 176.600 -0.080 0.000 1.048 239 K CA 1.860 58.018 56.287 -0.214 0.000 0.928 239 K CB -0.674 31.584 32.500 -0.403 0.000 0.713 239 K HN 0.452 nan 8.250 nan 0.000 0.442 240 Y N 1.563 121.827 120.300 -0.060 0.000 2.200 240 Y HA -0.224 4.340 4.550 0.023 0.000 0.290 240 Y C 2.014 177.910 175.900 -0.006 0.000 1.137 240 Y CA 1.006 59.112 58.100 0.009 0.000 1.163 240 Y CB -0.296 38.181 38.460 0.027 0.000 0.988 240 Y HN -0.251 nan 8.280 nan 0.000 0.518 241 V N -1.018 118.882 119.914 -0.023 0.000 2.307 241 V HA -0.290 3.844 4.120 0.023 0.000 0.245 241 V C 2.398 178.344 176.094 -0.247 0.000 1.045 241 V CA 1.709 63.980 62.300 -0.049 0.000 1.024 241 V CB -0.901 30.922 31.823 0.001 0.000 0.651 241 V HN 0.320 nan 8.190 nan 0.000 0.449 242 V N -0.240 119.437 119.914 -0.395 0.000 2.287 242 V HA -0.345 3.789 4.120 0.023 0.000 0.248 242 V C 2.256 178.117 176.094 -0.389 0.000 1.053 242 V CA 2.535 64.491 62.300 -0.573 0.000 1.027 242 V CB -0.873 30.431 31.823 -0.864 0.000 0.646 242 V HN 0.670 nan 8.190 nan 0.000 0.447 243 H N -0.320 118.614 119.070 -0.228 0.000 2.319 243 H HA -0.157 4.413 4.556 0.024 0.000 0.299 243 H C 2.273 177.415 175.328 -0.310 0.000 1.092 243 H CA 1.919 57.848 56.048 -0.198 0.000 1.302 243 H CB 0.018 29.719 29.762 -0.101 0.000 1.373 243 H HN 0.452 nan 8.280 nan 0.000 0.497 244 N N -0.492 117.937 118.700 -0.453 0.000 2.333 244 N HA -0.077 4.677 4.740 0.023 0.000 0.178 244 N C 1.748 176.919 175.510 -0.566 0.000 1.018 244 N CA 0.495 53.089 53.050 -0.760 0.000 0.882 244 N CB 0.256 37.725 38.487 -1.697 0.000 0.984 244 N HN 0.022 nan 8.380 nan 0.000 0.434 245 V N 0.981 120.687 119.914 -0.347 0.000 2.358 245 V HA -0.170 3.964 4.120 0.023 0.000 0.246 245 V C 2.287 178.439 176.094 0.096 0.000 1.047 245 V CA 1.798 64.100 62.300 0.003 0.000 1.035 245 V CB -0.919 30.925 31.823 0.035 0.000 0.658 245 V HN 0.330 nan 8.190 nan 0.000 0.452 246 A N -0.820 121.978 122.820 -0.037 0.000 1.892 246 A HA -0.333 4.001 4.320 0.023 0.000 0.218 246 A C 2.253 179.895 177.584 0.096 0.000 1.188 246 A CA 2.243 54.288 52.037 0.013 0.000 0.631 246 A CB -0.975 18.001 19.000 -0.039 0.000 0.822 246 A HN 0.696 nan 8.150 nan 0.000 0.447 247 H N -0.238 118.807 119.070 -0.042 0.000 2.352 247 H HA -0.074 4.496 4.556 0.023 0.000 0.299 247 H C 2.290 177.608 175.328 -0.017 0.000 1.097 247 H CA 1.853 57.874 56.048 -0.045 0.000 1.311 247 H CB -0.034 29.654 29.762 -0.125 0.000 1.377 247 H HN 0.463 nan 8.280 nan 0.000 0.504 248 R N -0.584 119.957 120.500 0.068 0.000 2.120 248 R HA -0.128 4.226 4.340 0.023 0.000 0.234 248 R C 1.965 178.198 176.300 -0.113 0.000 1.123 248 R CA 1.119 57.215 56.100 -0.007 0.000 0.975 248 R CB -0.260 30.060 30.300 0.033 0.000 0.866 248 R HN 0.245 nan 8.270 nan 0.000 0.446 249 F N -0.194 119.716 119.950 -0.066 0.000 2.811 249 F HA 0.141 4.682 4.527 0.023 0.000 0.301 249 F C 1.636 177.392 175.800 -0.072 0.000 1.151 249 F CA 0.923 58.888 58.000 -0.057 0.000 1.412 249 F CB 0.355 39.329 39.000 -0.044 0.000 1.113 249 F HN 0.239 nan 8.300 nan 0.000 0.579 250 G N 0.013 108.810 108.800 -0.004 0.000 2.159 250 G HA2 -0.255 3.719 3.960 0.023 0.000 0.256 250 G HA3 -0.255 3.719 3.960 0.023 0.000 0.256 250 G C 0.623 175.522 174.900 -0.002 0.000 0.977 250 G CA -0.131 44.937 45.100 -0.054 0.000 0.652 250 G HN 0.223 nan 8.290 nan 0.000 0.531 251 K N -0.201 120.225 120.400 0.044 0.000 2.177 251 K HA 0.690 5.024 4.320 0.023 0.000 0.238 251 K C -0.325 176.316 176.600 0.068 0.000 1.015 251 K CA -0.097 56.232 56.287 0.070 0.000 0.922 251 K CB 1.525 34.069 32.500 0.073 0.000 1.127 251 K HN 0.157 nan 8.250 nan 0.000 0.469 252 T N -0.243 114.377 114.554 0.111 0.000 2.841 252 T HA 0.581 4.945 4.350 0.023 0.000 0.285 252 T C -1.276 173.476 174.700 0.085 0.000 0.991 252 T CA -0.572 61.605 62.100 0.129 0.000 0.966 252 T CB 0.897 69.873 68.868 0.180 0.000 0.962 252 T HN 0.569 nan 8.240 nan 0.000 0.438 253 A N 3.428 126.288 122.820 0.065 0.000 2.312 253 A HA 0.818 5.152 4.320 0.023 0.000 0.328 253 A C 0.136 177.736 177.584 0.025 0.000 1.158 253 A CA -0.677 51.342 52.037 -0.030 0.000 0.821 253 A CB 1.561 20.464 19.000 -0.161 0.000 1.170 253 A HN 0.814 nan 8.150 nan 0.000 0.490 254 T N 0.468 114.948 114.554 -0.123 0.000 2.916 254 T HA 0.546 4.910 4.350 0.023 0.000 0.298 254 T C -0.868 173.745 174.700 -0.144 0.000 1.031 254 T CA -0.274 61.827 62.100 0.000 0.000 0.993 254 T CB 0.298 69.241 68.868 0.126 0.000 1.045 254 T HN 0.358 nan 8.240 nan 0.000 0.454 255 F N 3.741 123.839 119.950 0.246 0.000 2.660 255 F HA 0.347 4.889 4.527 0.025 0.000 0.302 255 F C 1.239 177.161 175.800 0.203 0.000 1.103 255 F CA -0.593 57.535 58.000 0.214 0.000 1.340 255 F CB -0.054 39.042 39.000 0.160 0.000 1.048 255 F HN 0.509 nan 8.300 nan 0.000 0.551 256 M N -0.127 119.653 119.600 0.301 0.000 2.238 256 M HA 0.297 4.791 4.480 0.023 0.000 0.347 256 M C -2.011 174.434 176.300 0.241 0.000 1.173 256 M CA -1.494 53.947 55.300 0.235 0.000 1.147 256 M CB 0.681 33.380 32.600 0.165 0.000 1.547 256 M HN -0.234 nan 8.290 nan 0.000 0.455 257 P HA -0.081 nan 4.420 nan 0.000 0.215 257 P C -0.259 177.167 177.300 0.210 0.000 1.153 257 P CA 1.580 64.796 63.100 0.194 0.000 0.853 257 P CB 0.138 31.914 31.700 0.126 0.000 0.788 258 K N -1.009 119.493 120.400 0.171 0.000 2.827 258 K HA 0.220 4.554 4.320 0.023 0.000 0.186 258 K C -2.235 174.426 176.600 0.102 0.000 1.093 258 K CA -1.938 54.442 56.287 0.154 0.000 0.993 258 K CB 0.428 33.014 32.500 0.142 0.000 1.199 258 K HN -0.089 nan 8.250 nan 0.000 0.598 259 P HA 0.015 nan 4.420 nan 0.000 0.224 259 P C -0.223 177.052 177.300 -0.041 0.000 1.157 259 P CA 0.509 63.606 63.100 -0.006 0.000 0.799 259 P CB 0.489 32.194 31.700 0.009 0.000 0.809 260 M N -0.445 119.133 119.600 -0.036 0.000 2.253 260 M HA 0.333 4.827 4.480 0.023 0.000 0.314 260 M C -0.622 175.742 176.300 0.108 0.000 1.019 260 M CA -1.145 54.162 55.300 0.012 0.000 0.932 260 M CB 2.461 35.062 32.600 0.001 0.000 1.606 260 M HN -0.258 nan 8.290 nan 0.000 0.430 261 F N 2.388 122.343 119.950 0.008 0.000 2.443 261 F HA 0.535 5.077 4.527 0.023 0.000 0.353 261 F C 1.073 176.901 175.800 0.047 0.000 1.101 261 F CA 1.392 59.413 58.000 0.035 0.000 1.226 261 F CB 0.815 39.830 39.000 0.026 0.000 1.140 261 F HN 0.825 nan 8.300 nan 0.000 0.557 262 G N 2.950 111.249 108.800 -0.836 0.000 2.176 262 G HA2 -0.188 3.786 3.960 0.023 0.000 0.232 262 G HA3 -0.188 3.786 3.960 0.023 0.000 0.232 262 G C -0.609 174.185 174.900 -0.178 0.000 0.986 262 G CA 0.105 44.873 45.100 -0.553 0.000 0.643 262 G HN 0.866 nan 8.290 nan 0.000 0.522 263 D N -0.716 119.633 120.400 -0.085 0.000 2.643 263 D HA 0.302 4.956 4.640 0.023 0.000 0.283 263 D C -0.188 176.174 176.300 0.103 0.000 1.242 263 D CA -0.611 53.419 54.000 0.051 0.000 0.863 263 D CB 0.518 41.412 40.800 0.157 0.000 1.382 263 D HN 0.040 nan 8.370 nan 0.000 0.444 264 N N -0.550 118.246 118.700 0.160 0.000 2.292 264 N HA 0.216 4.970 4.740 0.023 0.000 0.242 264 N C -0.059 175.631 175.510 0.300 0.000 1.243 264 N CA 0.669 53.830 53.050 0.185 0.000 0.851 264 N CB 0.432 39.014 38.487 0.158 0.000 1.093 264 N HN 0.365 nan 8.380 nan 0.000 0.450 265 G N 0.259 109.199 108.800 0.233 0.000 2.461 265 G HA2 0.312 4.286 3.960 0.023 0.000 0.329 265 G HA3 0.312 4.286 3.960 0.023 0.000 0.329 265 G C -0.979 174.071 174.900 0.250 0.000 1.170 265 G CA -0.448 44.823 45.100 0.284 0.000 0.935 265 G HN 0.464 nan 8.290 nan 0.000 0.492 266 S N -0.338 115.533 115.700 0.286 0.000 2.411 266 S HA 0.584 5.069 4.470 0.023 0.000 0.294 266 S C 0.601 175.323 174.600 0.203 0.000 1.115 266 S CA -0.380 57.937 58.200 0.194 0.000 1.071 266 S CB 1.022 64.359 63.200 0.228 0.000 0.967 266 S HN 0.905 nan 8.310 nan 0.000 0.488 267 G N 1.988 110.904 108.800 0.193 0.000 2.441 267 G HA2 0.616 4.591 3.960 0.023 0.000 0.334 267 G HA3 0.616 4.591 3.960 0.023 0.000 0.334 267 G C -0.758 174.292 174.900 0.250 0.000 1.161 267 G CA -0.703 44.538 45.100 0.235 0.000 0.935 267 G HN 0.623 nan 8.290 nan 0.000 0.488 268 M N 2.419 122.174 119.600 0.257 0.000 2.065 268 M HA 0.278 4.773 4.480 0.023 0.000 0.308 268 M C -0.770 175.695 176.300 0.275 0.000 0.939 268 M CA -0.480 54.954 55.300 0.222 0.000 0.890 268 M CB 0.036 32.730 32.600 0.157 0.000 1.383 268 M HN 0.664 nan 8.290 nan 0.000 0.381 269 H N 2.204 121.305 119.070 0.052 0.000 2.803 269 H HA 0.160 4.729 4.556 0.022 0.000 0.330 269 H C -0.385 174.945 175.328 0.004 0.000 1.057 269 H CA -0.610 55.431 56.048 -0.011 0.000 1.458 269 H CB 0.851 30.572 29.762 -0.068 0.000 1.470 269 H HN 0.618 nan 8.280 nan 0.000 0.560 270 C N 5.232 124.583 119.300 0.085 0.000 2.246 270 C HA 0.099 4.573 4.460 0.023 0.000 0.329 270 C C 0.693 175.652 174.990 -0.051 0.000 1.221 270 C CA -0.722 58.349 59.018 0.088 0.000 1.697 270 C CB -1.112 26.741 27.740 0.187 0.000 2.312 270 C HN 0.766 nan 8.230 nan 0.000 0.509 271 H N 3.720 122.769 119.070 -0.036 0.000 2.767 271 H HA 0.323 4.894 4.556 0.024 0.000 0.316 271 H C -0.101 175.041 175.328 -0.308 0.000 1.059 271 H CA 0.664 56.642 56.048 -0.117 0.000 1.461 271 H CB 0.724 30.433 29.762 -0.087 0.000 1.475 271 H HN 0.583 nan 8.280 nan 0.000 0.531 272 M N 1.609 121.064 119.600 -0.241 0.000 2.530 272 M HA 0.314 4.808 4.480 0.023 0.000 0.307 272 M C -0.232 175.742 176.300 -0.543 0.000 1.161 272 M CA -0.505 54.460 55.300 -0.559 0.000 0.903 272 M CB 2.524 34.745 32.600 -0.631 0.000 1.711 272 M HN 0.389 nan 8.290 nan 0.000 0.451 273 S N 1.647 116.853 115.700 -0.823 0.000 2.550 273 S HA 0.752 5.236 4.470 0.023 0.000 0.270 273 S C -1.846 172.056 174.600 -1.165 0.000 1.145 273 S CA -0.720 56.761 58.200 -1.198 0.000 0.852 273 S CB 1.345 64.091 63.200 -0.755 0.000 1.119 273 S HN 0.672 nan 8.310 nan 0.000 0.465 274 L N 2.546 122.872 121.223 -1.496 0.000 2.334 274 L HA 0.905 5.259 4.340 0.023 0.000 0.276 274 L C -0.226 176.400 176.870 -0.408 0.000 1.014 274 L CA -0.679 53.723 54.840 -0.730 0.000 0.815 274 L CB 1.832 43.585 42.059 -0.509 0.000 1.268 274 L HN 0.796 nan 8.230 nan 0.000 0.428 275 A N 3.038 125.722 122.820 -0.226 0.000 2.398 275 A HA 0.676 5.010 4.320 0.023 0.000 0.301 275 A C -1.190 176.355 177.584 -0.065 0.000 1.041 275 A CA -0.625 51.330 52.037 -0.136 0.000 0.711 275 A CB 1.754 20.673 19.000 -0.134 0.000 1.240 275 A HN 0.594 nan 8.150 nan 0.000 0.420 276 K N 1.929 122.305 120.400 -0.040 0.000 2.207 276 K HA 0.425 4.759 4.320 0.023 0.000 0.255 276 K C -0.081 176.509 176.600 -0.016 0.000 0.941 276 K CA -0.472 55.805 56.287 -0.017 0.000 0.825 276 K CB 0.605 33.105 32.500 -0.002 0.000 1.119 276 K HN 0.610 nan 8.250 nan 0.000 0.430 277 N N 3.035 121.729 118.700 -0.010 0.000 2.745 277 N HA -0.243 4.512 4.740 0.023 0.000 0.271 277 N C 0.352 175.855 175.510 -0.012 0.000 0.960 277 N CA 1.604 54.649 53.050 -0.008 0.000 0.833 277 N CB -1.200 37.285 38.487 -0.004 0.000 0.919 277 N HN 1.017 nan 8.380 nan 0.000 0.566 278 G N -1.264 107.527 108.800 -0.016 0.000 2.166 278 G HA2 -0.334 3.640 3.960 0.023 0.000 0.260 278 G HA3 -0.334 3.640 3.960 0.023 0.000 0.260 278 G C 0.218 175.101 174.900 -0.028 0.000 0.986 278 G CA 1.004 46.093 45.100 -0.018 0.000 0.683 278 G HN 1.004 nan 8.290 nan 0.000 0.527 279 T N -2.408 112.125 114.554 -0.034 0.000 2.861 279 T HA 0.573 4.937 4.350 0.023 0.000 0.287 279 T C -0.377 174.288 174.700 -0.058 0.000 1.003 279 T CA -0.616 61.461 62.100 -0.039 0.000 0.977 279 T CB 2.052 70.906 68.868 -0.023 0.000 0.996 279 T HN 0.221 nan 8.240 nan 0.000 0.448 280 N N 2.371 121.030 118.700 -0.068 0.000 2.421 280 N HA 0.096 4.850 4.740 0.023 0.000 0.260 280 N C 0.819 176.311 175.510 -0.029 0.000 1.173 280 N CA -0.867 52.127 53.050 -0.092 0.000 0.960 280 N CB -0.218 38.205 38.487 -0.106 0.000 1.273 280 N HN 0.560 nan 8.380 nan 0.000 0.497 281 L N 2.945 124.160 121.223 -0.014 0.000 2.263 281 L HA -0.121 4.233 4.340 0.023 0.000 0.216 281 L C 1.391 178.409 176.870 0.246 0.000 1.111 281 L CA 1.169 56.065 54.840 0.093 0.000 0.773 281 L CB -0.589 41.544 42.059 0.124 0.000 0.906 281 L HN 0.506 nan 8.230 nan 0.000 0.439 282 F N -1.605 118.263 119.950 -0.137 0.000 2.512 282 F HA 0.131 4.680 4.527 0.038 0.000 0.296 282 F C 1.821 177.548 175.800 -0.122 0.000 1.110 282 F CA -0.326 57.582 58.000 -0.152 0.000 1.446 282 F CB -0.751 38.125 39.000 -0.206 0.000 1.092 282 F HN -0.110 nan 8.300 nan 0.000 0.554 283 S N -0.689 115.058 115.700 0.078 0.000 2.603 283 S HA 0.576 5.060 4.470 0.023 0.000 0.268 283 S C 0.385 174.980 174.600 -0.008 0.000 1.317 283 S CA 0.397 58.602 58.200 0.008 0.000 1.012 283 S CB 0.652 63.845 63.200 -0.012 0.000 0.926 283 S HN 0.533 nan 8.310 nan 0.000 0.539 284 G N 2.825 111.611 108.800 -0.024 0.000 2.367 284 G HA2 0.181 4.155 3.960 0.023 0.000 0.272 284 G HA3 0.181 4.155 3.960 0.023 0.000 0.272 284 G C -0.792 174.091 174.900 -0.029 0.000 1.271 284 G CA 0.141 45.226 45.100 -0.025 0.000 0.893 284 G HN 0.637 nan 8.290 nan 0.000 0.485 285 D N 0.356 120.742 120.400 -0.024 0.000 2.173 285 D HA 0.226 4.880 4.640 0.023 0.000 0.296 285 D C 0.644 176.937 176.300 -0.012 0.000 1.140 285 D CA 0.443 54.434 54.000 -0.016 0.000 0.952 285 D CB -0.548 40.248 40.800 -0.006 0.000 1.021 285 D HN 0.660 nan 8.370 nan 0.000 0.344 286 K N -1.432 118.973 120.400 0.008 0.000 2.238 286 K HA -0.310 4.024 4.320 0.023 0.000 0.375 286 K C 0.108 176.764 176.600 0.094 0.000 1.602 286 K CA 0.595 56.908 56.287 0.043 0.000 0.888 286 K CB -1.838 30.666 32.500 0.007 0.000 1.136 286 K HN 0.601 nan 8.250 nan 0.000 0.859 287 Y N 1.292 121.601 120.300 0.016 0.000 2.802 287 Y HA 0.119 4.683 4.550 0.023 0.000 0.333 287 Y C 1.025 176.938 175.900 0.022 0.000 1.244 287 Y CA 1.034 59.160 58.100 0.045 0.000 1.558 287 Y CB -0.434 38.108 38.460 0.136 0.000 1.233 287 Y HN 0.679 nan 8.280 nan 0.000 0.547 288 A N 4.519 127.036 122.820 -0.506 0.000 2.640 288 A HA -0.067 4.267 4.320 0.023 0.000 0.300 288 A C 1.650 179.099 177.584 -0.226 0.000 1.499 288 A CA 1.558 53.311 52.037 -0.473 0.000 0.759 288 A CB -2.090 16.429 19.000 -0.801 0.000 1.048 288 A HN 2.504 nan 8.150 nan 0.000 0.450 289 G N -2.772 105.948 108.800 -0.132 0.000 2.179 289 G HA2 -0.227 3.747 3.960 0.023 0.000 0.260 289 G HA3 -0.227 3.747 3.960 0.023 0.000 0.260 289 G C 0.158 175.016 174.900 -0.071 0.000 0.977 289 G CA 0.445 45.495 45.100 -0.083 0.000 0.641 289 G HN 1.397 nan 8.290 nan 0.000 0.533 290 L N 1.698 122.872 121.223 -0.081 0.000 2.395 290 L HA 0.541 4.895 4.340 0.023 0.000 0.269 290 L C 1.482 178.291 176.870 -0.103 0.000 1.133 290 L CA -0.057 54.724 54.840 -0.098 0.000 0.812 290 L CB 1.331 43.315 42.059 -0.125 0.000 1.125 290 L HN 0.430 nan 8.230 nan 0.000 0.452 291 S N 0.327 115.950 115.700 -0.129 0.000 2.624 291 S HA 0.065 4.549 4.470 0.023 0.000 0.263 291 S C 0.751 175.218 174.600 -0.222 0.000 1.287 291 S CA -0.522 57.602 58.200 -0.128 0.000 0.990 291 S CB 1.504 64.653 63.200 -0.083 0.000 0.950 291 S HN 0.661 nan 8.310 nan 0.000 0.561 292 E N 0.354 120.427 120.200 -0.212 0.000 2.204 292 E HA -0.142 4.222 4.350 0.023 0.000 0.195 292 E C 2.030 178.268 176.600 -0.603 0.000 0.990 292 E CA 1.400 57.563 56.400 -0.394 0.000 0.821 292 E CB -0.362 29.208 29.700 -0.217 0.000 0.750 292 E HN 0.774 nan 8.360 nan 0.000 0.477 293 Q N -0.180 119.459 119.800 -0.268 0.000 2.050 293 Q HA -0.109 4.245 4.340 0.023 0.000 0.202 293 Q C 1.995 177.854 176.000 -0.234 0.000 0.980 293 Q CA 2.185 57.925 55.803 -0.105 0.000 0.840 293 Q CB -0.528 28.221 28.738 0.018 0.000 0.898 293 Q HN 0.331 nan 8.270 nan 0.000 0.424 294 A N -0.264 122.271 122.820 -0.474 0.000 1.877 294 A HA -0.149 4.185 4.320 0.023 0.000 0.216 294 A C 1.960 179.167 177.584 -0.629 0.000 1.186 294 A CA 1.370 52.845 52.037 -0.936 0.000 0.620 294 A CB -0.764 17.658 19.000 -0.963 0.000 0.822 294 A HN 0.424 nan 8.150 nan 0.000 0.443 295 L N -1.307 119.569 121.223 -0.578 0.000 2.042 295 L HA -0.182 4.172 4.340 0.023 0.000 0.210 295 L C 2.403 179.003 176.870 -0.449 0.000 1.076 295 L CA 1.669 56.138 54.840 -0.619 0.000 0.749 295 L CB -1.011 40.634 42.059 -0.690 0.000 0.893 295 L HN 0.518 nan 8.230 nan 0.000 0.432 296 Y N -2.668 117.507 120.300 -0.208 0.000 2.293 296 Y HA -0.241 4.323 4.550 0.022 0.000 0.291 296 Y C 2.467 178.321 175.900 -0.076 0.000 1.137 296 Y CA 0.490 58.518 58.100 -0.120 0.000 1.202 296 Y CB -1.252 37.185 38.460 -0.039 0.000 0.990 296 Y HN 0.168 nan 8.280 nan 0.000 0.537 297 Y N 0.286 120.543 120.300 -0.071 0.000 2.097 297 Y HA -0.259 4.306 4.550 0.025 0.000 0.282 297 Y C 2.322 178.172 175.900 -0.083 0.000 1.152 297 Y CA 1.627 59.694 58.100 -0.054 0.000 1.136 297 Y CB -0.568 37.812 38.460 -0.134 0.000 0.975 297 Y HN 0.005 nan 8.280 nan 0.000 0.498 298 I N -0.463 120.105 120.570 -0.002 0.000 2.151 298 I HA -0.352 3.832 4.170 0.023 0.000 0.243 298 I C 2.658 178.726 176.117 -0.081 0.000 1.080 298 I CA 1.591 62.842 61.300 -0.081 0.000 1.339 298 I CB -1.139 36.672 38.000 -0.315 0.000 1.039 298 I HN 0.388 nan 8.210 nan 0.000 0.409 299 G N 0.421 109.160 108.800 -0.102 0.000 2.442 299 G HA2 -0.215 3.759 3.960 0.023 0.000 0.219 299 G HA3 -0.215 3.759 3.960 0.023 0.000 0.219 299 G C 1.676 176.541 174.900 -0.058 0.000 1.141 299 G CA 0.948 46.016 45.100 -0.053 0.000 0.763 299 G HN 0.527 nan 8.290 nan 0.000 0.554 300 G N 0.189 108.955 108.800 -0.057 0.000 2.394 300 G HA2 -0.082 3.893 3.960 0.023 0.000 0.215 300 G HA3 -0.082 3.893 3.960 0.023 0.000 0.215 300 G C 1.771 176.646 174.900 -0.042 0.000 1.165 300 G CA 1.053 46.123 45.100 -0.051 0.000 0.784 300 G HN 0.308 nan 8.290 nan 0.000 0.535 301 V N 1.323 121.195 119.914 -0.071 0.000 2.255 301 V HA -0.186 3.948 4.120 0.023 0.000 0.247 301 V C 2.814 178.937 176.094 0.049 0.000 1.051 301 V CA 1.717 64.028 62.300 0.018 0.000 1.018 301 V CB -0.415 31.450 31.823 0.071 0.000 0.641 301 V HN 0.390 nan 8.190 nan 0.000 0.445 302 I N -0.040 120.546 120.570 0.026 0.000 2.163 302 I HA -0.293 3.891 4.170 0.023 0.000 0.243 302 I C 2.580 178.645 176.117 -0.088 0.000 1.085 302 I CA 1.984 63.290 61.300 0.010 0.000 1.347 302 I CB -0.468 37.547 38.000 0.024 0.000 1.044 302 I HN 0.297 nan 8.210 nan 0.000 0.408 303 K N 0.600 120.889 120.400 -0.185 0.000 2.113 303 K HA -0.203 4.131 4.320 0.023 0.000 0.208 303 K C 1.757 178.026 176.600 -0.552 0.000 1.047 303 K CA 1.711 57.768 56.287 -0.384 0.000 0.928 303 K CB -0.142 32.045 32.500 -0.521 0.000 0.716 303 K HN 0.440 nan 8.250 nan 0.000 0.446 304 H N -1.130 117.789 119.070 -0.251 0.000 2.542 304 H HA 0.341 4.912 4.556 0.024 0.000 0.283 304 H C 1.418 176.670 175.328 -0.127 0.000 1.059 304 H CA 0.430 56.280 56.048 -0.330 0.000 1.162 304 H CB 0.535 29.733 29.762 -0.941 0.000 1.539 304 H HN 0.303 nan 8.280 nan 0.000 0.543 305 A N 2.016 124.836 122.820 0.001 0.000 1.896 305 A HA -0.275 4.059 4.320 0.023 0.000 0.220 305 A C 2.283 179.842 177.584 -0.041 0.000 1.206 305 A CA 1.890 53.925 52.037 -0.002 0.000 0.647 305 A CB -0.329 18.606 19.000 -0.108 0.000 0.828 305 A HN 0.299 nan 8.150 nan 0.000 0.455 306 K N -0.672 119.707 120.400 -0.035 0.000 2.209 306 K HA -0.055 4.280 4.320 0.023 0.000 0.204 306 K C 2.205 178.852 176.600 0.079 0.000 1.048 306 K CA 1.046 57.333 56.287 0.001 0.000 0.940 306 K CB -0.290 32.207 32.500 -0.005 0.000 0.729 306 K HN 0.507 nan 8.250 nan 0.000 0.451 307 A N 1.262 124.163 122.820 0.135 0.000 1.930 307 A HA -0.050 4.284 4.320 0.023 0.000 0.215 307 A C 2.056 179.770 177.584 0.217 0.000 1.176 307 A CA 0.818 52.974 52.037 0.198 0.000 0.632 307 A CB -0.371 18.837 19.000 0.346 0.000 0.819 307 A HN 0.131 nan 8.150 nan 0.000 0.445 308 I N 0.292 121.021 120.570 0.266 0.000 2.208 308 I HA -0.315 3.869 4.170 0.023 0.000 0.245 308 I C 2.135 178.416 176.117 0.273 0.000 1.097 308 I CA 1.622 63.101 61.300 0.298 0.000 1.363 308 I CB -0.601 37.632 38.000 0.388 0.000 1.051 308 I HN 0.423 nan 8.210 nan 0.000 0.413 309 N N 0.852 119.674 118.700 0.203 0.000 2.137 309 N HA -0.195 4.559 4.740 0.023 0.000 0.190 309 N C 1.895 177.572 175.510 0.279 0.000 1.017 309 N CA 1.197 54.374 53.050 0.212 0.000 0.859 309 N CB -0.217 38.366 38.487 0.160 0.000 1.002 309 N HN 0.366 nan 8.380 nan 0.000 0.428 310 A N 0.217 123.187 122.820 0.250 0.000 2.076 310 A HA -0.073 4.261 4.320 0.023 0.000 0.220 310 A C 1.881 179.676 177.584 0.350 0.000 1.160 310 A CA 1.135 53.351 52.037 0.297 0.000 0.653 310 A CB -0.269 18.887 19.000 0.259 0.000 0.801 310 A HN 0.230 nan 8.150 nan 0.000 0.455 311 L N -2.625 118.731 121.223 0.222 0.000 2.547 311 L HA 0.228 4.582 4.340 0.023 0.000 0.218 311 L C 2.607 179.588 176.870 0.184 0.000 1.048 311 L CA 0.733 55.663 54.840 0.150 0.000 0.859 311 L CB -0.109 41.950 42.059 0.001 0.000 1.128 311 L HN 0.244 nan 8.230 nan 0.000 0.483 312 A N -0.049 122.905 122.820 0.224 0.000 2.132 312 A HA 0.068 4.402 4.320 0.023 0.000 0.213 312 A C 0.403 178.110 177.584 0.204 0.000 1.154 312 A CA 0.702 52.878 52.037 0.231 0.000 0.753 312 A CB -0.320 18.893 19.000 0.356 0.000 0.826 312 A HN 0.476 nan 8.150 nan 0.000 0.469 313 N N -0.452 118.361 118.700 0.188 0.000 2.703 313 N HA 0.205 4.959 4.740 0.023 0.000 0.283 313 N C -2.580 173.019 175.510 0.149 0.000 1.851 313 N CA -0.781 52.308 53.050 0.065 0.000 0.826 313 N CB 1.599 40.004 38.487 -0.138 0.000 1.239 313 N HN 0.161 nan 8.380 nan 0.000 0.495 314 P HA 0.005 nan 4.420 nan 0.000 0.257 314 P C -0.344 177.076 177.300 0.200 0.000 1.281 314 P CA 0.491 63.741 63.100 0.251 0.000 0.826 314 P CB 0.163 32.035 31.700 0.285 0.000 1.237 315 T N -3.879 110.787 114.554 0.186 0.000 2.888 315 T HA 0.323 4.687 4.350 0.023 0.000 0.284 315 T C 1.390 176.230 174.700 0.234 0.000 1.017 315 T CA -0.111 62.084 62.100 0.159 0.000 1.022 315 T CB 1.273 70.209 68.868 0.113 0.000 1.013 315 T HN -0.072 nan 8.240 nan 0.000 0.465 316 T N -0.225 114.444 114.554 0.192 0.000 2.759 316 T HA -0.214 4.150 4.350 0.023 0.000 0.269 316 T C 1.676 176.524 174.700 0.247 0.000 1.042 316 T CA 1.522 63.761 62.100 0.230 0.000 1.140 316 T CB -0.741 68.201 68.868 0.124 0.000 0.864 316 T HN 0.748 nan 8.240 nan 0.000 0.455 317 N N 0.803 119.596 118.700 0.156 0.000 2.364 317 N HA -0.113 4.641 4.740 0.023 0.000 0.183 317 N C 1.802 177.375 175.510 0.105 0.000 1.022 317 N CA 1.157 54.283 53.050 0.126 0.000 0.883 317 N CB -0.244 38.296 38.487 0.088 0.000 0.965 317 N HN 0.447 nan 8.380 nan 0.000 0.438 318 S N -0.104 115.624 115.700 0.046 0.000 2.383 318 S HA -0.136 4.348 4.470 0.023 0.000 0.229 318 S C 1.248 175.679 174.600 -0.282 0.000 1.030 318 S CA 1.074 59.180 58.200 -0.157 0.000 1.002 318 S CB -0.345 62.635 63.200 -0.367 0.000 0.829 318 S HN 0.486 nan 8.310 nan 0.000 0.467 319 Y N 1.067 121.424 120.300 0.095 0.000 2.561 319 Y HA 0.139 4.703 4.550 0.024 0.000 0.291 319 Y C 2.039 177.994 175.900 0.092 0.000 1.141 319 Y CA 0.355 58.505 58.100 0.082 0.000 1.303 319 Y CB -0.105 38.393 38.460 0.064 0.000 1.015 319 Y HN 0.019 nan 8.280 nan 0.000 0.547 320 K N 0.270 120.782 120.400 0.187 0.000 2.283 320 K HA -0.101 4.233 4.320 0.023 0.000 0.202 320 K C 2.108 178.796 176.600 0.146 0.000 1.048 320 K CA 0.809 57.200 56.287 0.175 0.000 0.948 320 K CB -0.054 32.552 32.500 0.177 0.000 0.742 320 K HN 0.230 nan 8.250 nan 0.000 0.458 321 R N 0.190 120.753 120.500 0.105 0.000 2.066 321 R HA 0.098 4.452 4.340 0.023 0.000 0.224 321 R C 0.357 176.703 176.300 0.077 0.000 1.122 321 R CA 0.603 56.758 56.100 0.092 0.000 0.974 321 R CB 0.009 30.359 30.300 0.084 0.000 0.871 321 R HN 0.060 nan 8.270 nan 0.000 0.435 322 L N 3.760 125.013 121.223 0.050 0.000 2.511 322 L HA 0.167 4.521 4.340 0.023 0.000 0.239 322 L C -0.588 176.345 176.870 0.105 0.000 1.400 322 L CA -0.594 54.283 54.840 0.063 0.000 1.226 322 L CB 0.345 42.413 42.059 0.016 0.000 1.475 322 L HN 0.099 nan 8.230 nan 0.000 0.428 323 V N -1.797 118.175 119.914 0.096 0.000 2.715 323 V HA 0.649 4.783 4.120 0.023 0.000 0.310 323 V C -1.781 174.355 176.094 0.071 0.000 1.054 323 V CA -2.324 60.034 62.300 0.096 0.000 0.928 323 V CB 0.793 32.684 31.823 0.112 0.000 1.007 323 V HN 0.210 nan 8.190 nan 0.000 0.437 330 V N -3.326 116.619 119.914 0.050 0.000 2.878 330 V HA 0.202 4.336 4.120 0.023 0.000 0.250 330 V C 1.014 177.119 176.094 0.018 0.000 1.075 330 V CA 0.571 62.890 62.300 0.031 0.000 1.096 330 V CB -0.452 31.390 31.823 0.032 0.000 0.724 330 V HN 0.226 nan 8.190 nan 0.000 0.467 331 M N 2.315 121.932 119.600 0.030 0.000 2.292 331 M HA 0.319 4.813 4.480 0.023 0.000 0.342 331 M C -0.464 175.862 176.300 0.044 0.000 1.538 331 M CA -0.382 54.932 55.300 0.024 0.000 1.163 331 M CB 0.304 32.915 32.600 0.018 0.000 1.823 331 M HN 0.111 nan 8.290 nan 0.000 0.462 332 L N 4.565 125.807 121.223 0.032 0.000 2.505 332 L HA 0.415 4.769 4.340 0.023 0.000 0.279 332 L C 0.147 177.057 176.870 0.067 0.000 1.211 332 L CA -0.040 54.837 54.840 0.061 0.000 1.059 332 L CB -1.827 40.248 42.059 0.026 0.000 1.340 332 L HN 0.777 nan 8.230 nan 0.000 0.447 333 A N 3.497 126.370 122.820 0.088 0.000 2.547 333 A HA 0.649 4.983 4.320 0.023 0.000 0.297 333 A C -1.248 176.413 177.584 0.128 0.000 1.056 333 A CA -0.718 51.361 52.037 0.069 0.000 0.688 333 A CB 1.014 20.001 19.000 -0.022 0.000 1.282 333 A HN 0.390 nan 8.150 nan 0.000 0.400 334 Y N 0.119 120.412 120.300 -0.012 0.000 2.376 334 Y HA 0.874 5.439 4.550 0.025 0.000 0.325 334 Y C 0.246 176.151 175.900 0.007 0.000 1.199 334 Y CA -1.138 56.966 58.100 0.007 0.000 1.206 334 Y CB 1.417 39.880 38.460 0.005 0.000 1.229 334 Y HN 0.969 nan 8.280 nan 0.000 0.480 335 S N 0.506 116.315 115.700 0.182 0.000 2.558 335 S HA 0.602 5.086 4.470 0.023 0.000 0.277 335 S C -0.149 174.615 174.600 0.274 0.000 1.143 335 S CA -0.161 58.142 58.200 0.172 0.000 0.865 335 S CB 0.892 64.112 63.200 0.034 0.000 1.102 335 S HN 1.286 nan 8.310 nan 0.000 0.454 336 A N 3.091 126.116 122.820 0.341 0.000 1.984 336 A HA 0.265 4.599 4.320 0.023 0.000 0.214 336 A C 1.821 179.463 177.584 0.097 0.000 1.173 336 A CA 0.676 52.795 52.037 0.137 0.000 0.673 336 A CB -0.245 18.744 19.000 -0.018 0.000 0.830 336 A HN 0.664 nan 8.150 nan 0.000 0.453 337 R N 0.234 120.806 120.500 0.119 0.000 2.041 337 R HA 0.079 4.433 4.340 0.023 0.000 0.221 337 R C 0.705 177.030 176.300 0.042 0.000 1.196 337 R CA 0.780 56.919 56.100 0.065 0.000 0.969 337 R CB -0.909 29.427 30.300 0.060 0.000 0.858 337 R HN 0.437 nan 8.270 nan 0.000 0.444 338 N N 2.609 121.326 118.700 0.030 0.000 2.383 338 N HA -0.084 4.670 4.740 0.023 0.000 0.295 338 N C -0.812 174.711 175.510 0.022 0.000 1.281 338 N CA 0.271 53.329 53.050 0.013 0.000 1.048 338 N CB 0.165 38.647 38.487 -0.008 0.000 1.455 338 N HN 0.037 nan 8.380 nan 0.000 0.488 339 R N 2.233 122.745 120.500 0.021 0.000 2.612 339 R HA 0.070 4.424 4.340 0.023 0.000 0.273 339 R C 0.445 176.756 176.300 0.018 0.000 1.376 339 R CA 0.017 56.131 56.100 0.024 0.000 1.171 339 R CB -0.204 30.107 30.300 0.019 0.000 1.151 339 R HN 0.680 nan 8.270 nan 0.000 0.560 340 S N -0.230 115.482 115.700 0.021 0.000 1.766 340 S HA -0.006 4.478 4.470 0.023 0.000 0.211 340 S C 0.073 174.689 174.600 0.026 0.000 0.790 340 S CA 0.179 58.391 58.200 0.020 0.000 1.562 340 S CB -0.161 63.045 63.200 0.010 0.000 1.003 340 S HN 0.446 nan 8.310 nan 0.000 0.425 341 A N 2.415 125.251 122.820 0.027 0.000 2.450 341 A HA 0.622 4.957 4.320 0.023 0.000 0.255 341 A C 1.333 178.953 177.584 0.061 0.000 1.096 341 A CA 0.398 52.459 52.037 0.040 0.000 0.778 341 A CB 0.362 19.382 19.000 0.033 0.000 1.031 341 A HN 1.245 nan 8.150 nan 0.000 0.494 342 S N 2.270 118.028 115.700 0.096 0.000 2.515 342 S HA 0.052 4.536 4.470 0.023 0.000 0.231 342 S C 0.516 175.177 174.600 0.102 0.000 0.987 342 S CA 0.471 58.754 58.200 0.137 0.000 0.936 342 S CB -0.202 63.185 63.200 0.311 0.000 0.766 342 S HN 0.516 nan 8.310 nan 0.000 0.528 343 I N 2.932 123.569 120.570 0.111 0.000 2.371 343 I HA 0.405 4.589 4.170 0.023 0.000 0.282 343 I C 0.156 176.335 176.117 0.104 0.000 1.031 343 I CA -0.368 60.990 61.300 0.096 0.000 1.180 343 I CB 0.916 39.008 38.000 0.153 0.000 1.336 343 I HN 0.293 nan 8.210 nan 0.000 0.467 344 R N 6.889 127.421 120.500 0.054 0.000 2.312 344 R HA 0.487 4.841 4.340 0.023 0.000 0.311 344 R C -0.986 175.363 176.300 0.082 0.000 1.004 344 R CA -0.607 55.537 56.100 0.074 0.000 0.902 344 R CB 1.295 31.622 30.300 0.046 0.000 1.073 344 R HN 0.357 nan 8.270 nan 0.000 0.457 345 I N 6.802 127.444 120.570 0.120 0.000 2.287 345 I HA 0.283 4.467 4.170 0.023 0.000 0.290 345 I C -2.114 174.034 176.117 0.053 0.000 1.069 345 I CA -3.125 58.227 61.300 0.087 0.000 1.237 345 I CB 0.674 38.739 38.000 0.108 0.000 1.418 345 I HN 0.497 nan 8.210 nan 0.000 0.481 346 P HA 0.044 nan 4.420 nan 0.000 0.268 346 P C -0.011 177.302 177.300 0.022 0.000 1.204 346 P CA -0.187 62.957 63.100 0.074 0.000 0.768 346 P CB 0.584 32.373 31.700 0.149 0.000 0.842 347 V N 5.155 125.075 119.914 0.010 0.000 2.341 347 V HA -0.039 4.095 4.120 0.023 0.000 0.248 347 V C 1.737 177.824 176.094 -0.012 0.000 1.107 347 V CA 0.425 62.715 62.300 -0.018 0.000 1.069 347 V CB 0.249 32.062 31.823 -0.017 0.000 1.177 347 V HN 0.480 nan 8.190 nan 0.000 0.492 348 V N 5.134 125.035 119.914 -0.022 0.000 2.379 348 V HA -0.108 4.026 4.120 0.023 0.000 0.245 348 V C 2.148 178.227 176.094 -0.026 0.000 1.044 348 V CA 2.506 64.791 62.300 -0.025 0.000 1.036 348 V CB 0.103 31.903 31.823 -0.037 0.000 0.664 348 V HN 1.195 nan 8.190 nan 0.000 0.453 349 A N -1.185 121.616 122.820 -0.031 0.000 2.617 349 A HA -0.332 4.002 4.320 0.023 0.000 0.236 349 A C 1.525 179.094 177.584 -0.026 0.000 0.514 349 A CA 1.770 53.790 52.037 -0.029 0.000 1.126 349 A CB -2.231 16.756 19.000 -0.021 0.000 1.393 349 A HN 0.770 nan 8.150 nan 0.000 0.693 350 S N 0.186 115.871 115.700 -0.025 0.000 2.680 350 S HA 0.323 4.807 4.470 0.023 0.000 0.249 350 S C -0.068 174.514 174.600 -0.030 0.000 1.358 350 S CA 0.048 58.234 58.200 -0.024 0.000 0.963 350 S CB 0.102 63.288 63.200 -0.023 0.000 0.984 350 S HN 0.644 nan 8.310 nan 0.000 0.584 351 P HA 0.100 nan 4.420 nan 0.000 0.214 351 P C -0.236 177.042 177.300 -0.037 0.000 1.163 351 P CA 1.374 64.456 63.100 -0.031 0.000 0.881 351 P CB 0.092 31.776 31.700 -0.026 0.000 0.775 352 K N -2.484 117.888 120.400 -0.047 0.000 2.598 352 K HA 0.392 4.726 4.320 0.023 0.000 0.169 352 K C 0.956 177.503 176.600 -0.089 0.000 1.370 352 K CA 0.421 56.673 56.287 -0.057 0.000 1.121 352 K CB -1.004 31.467 32.500 -0.049 0.000 1.178 352 K HN 0.010 nan 8.250 nan 0.000 0.536 353 A N 1.180 123.945 122.820 -0.091 0.000 2.247 353 A HA 0.066 4.400 4.320 0.023 0.000 0.205 353 A C 0.649 178.165 177.584 -0.114 0.000 1.261 353 A CA 0.079 52.038 52.037 -0.130 0.000 0.853 353 A CB -0.592 18.346 19.000 -0.103 0.000 0.793 353 A HN 0.246 nan 8.150 nan 0.000 0.487 354 R N 1.456 121.909 120.500 -0.078 0.000 2.538 354 R HA 0.231 4.585 4.340 0.023 0.000 0.282 354 R C 0.510 176.800 176.300 -0.017 0.000 1.009 354 R CA 0.825 56.902 56.100 -0.038 0.000 1.063 354 R CB 0.047 30.338 30.300 -0.016 0.000 0.945 354 R HN 0.723 nan 8.270 nan 0.000 0.414 355 R N 3.790 124.306 120.500 0.028 0.000 2.733 355 R HA 0.423 4.777 4.340 0.023 0.000 0.272 355 R C -0.928 175.448 176.300 0.126 0.000 1.029 355 R CA -1.030 55.119 56.100 0.081 0.000 0.888 355 R CB 0.652 30.928 30.300 -0.040 0.000 1.251 355 R HN 0.539 nan 8.270 nan 0.000 0.464 356 I N -1.960 118.700 120.570 0.151 0.000 2.577 356 I HA 0.545 4.729 4.170 0.023 0.000 0.305 356 I C -0.593 175.533 176.117 0.015 0.000 0.986 356 I CA -0.690 60.649 61.300 0.065 0.000 1.189 356 I CB 1.982 40.004 38.000 0.035 0.000 1.355 356 I HN 0.703 nan 8.210 nan 0.000 0.476 357 E N 4.401 124.571 120.200 -0.050 0.000 2.145 357 E HA 0.391 4.755 4.350 0.023 0.000 0.262 357 E C -1.606 174.895 176.600 -0.165 0.000 0.883 357 E CA -0.743 55.522 56.400 -0.225 0.000 0.748 357 E CB 2.083 31.545 29.700 -0.397 0.000 1.140 357 E HN 0.623 nan 8.360 nan 0.000 0.417 358 V N 6.469 126.269 119.914 -0.190 0.000 2.372 358 V HA 0.174 4.308 4.120 0.023 0.000 0.261 358 V C 1.350 177.212 176.094 -0.387 0.000 1.055 358 V CA -0.063 62.071 62.300 -0.277 0.000 0.930 358 V CB 0.807 32.414 31.823 -0.359 0.000 1.031 358 V HN 0.718 nan 8.190 nan 0.000 0.479 359 R N 3.477 123.747 120.500 -0.383 0.000 2.236 359 R HA -0.049 4.305 4.340 0.023 0.000 0.208 359 R C 1.756 177.765 176.300 -0.485 0.000 1.036 359 R CA 0.986 56.672 56.100 -0.690 0.000 1.001 359 R CB -0.078 29.911 30.300 -0.518 0.000 0.896 359 R HN 0.866 nan 8.270 nan 0.000 0.464 360 F N 0.554 120.403 119.950 -0.168 0.000 2.615 360 F HA 0.308 4.851 4.527 0.026 0.000 0.297 360 F C -1.772 174.020 175.800 -0.014 0.000 1.124 360 F CA -1.681 56.274 58.000 -0.076 0.000 1.451 360 F CB -1.595 37.393 39.000 -0.020 0.000 1.103 360 F HN -0.218 nan 8.300 nan 0.000 0.569 361 P HA 0.206 nan 4.420 nan 0.000 0.272 361 P C -1.117 176.273 177.300 0.150 0.000 1.240 361 P CA -0.069 63.128 63.100 0.162 0.000 0.791 361 P CB 0.741 32.497 31.700 0.095 0.000 0.978 362 D N -1.618 118.868 120.400 0.143 0.000 2.581 362 D HA 0.340 4.994 4.640 0.023 0.000 0.232 362 D C -2.472 173.911 176.300 0.138 0.000 1.143 362 D CA -2.138 51.951 54.000 0.148 0.000 0.881 362 D CB 0.024 40.903 40.800 0.132 0.000 1.500 362 D HN -0.019 nan 8.370 nan 0.000 0.458 363 P HA -0.136 nan 4.420 nan 0.000 0.221 363 P C 1.027 178.390 177.300 0.104 0.000 1.141 363 P CA 1.782 64.971 63.100 0.149 0.000 0.794 363 P CB 0.042 31.966 31.700 0.374 0.000 0.764 364 A N -0.691 122.214 122.820 0.140 0.000 2.119 364 A HA 0.210 4.544 4.320 0.023 0.000 0.217 364 A C 1.308 178.942 177.584 0.084 0.000 1.153 364 A CA 0.606 52.717 52.037 0.123 0.000 0.692 364 A CB -1.104 17.976 19.000 0.133 0.000 0.799 364 A HN 0.251 nan 8.150 nan 0.000 0.458 365 A N 0.778 123.634 122.820 0.060 0.000 2.477 365 A HA 0.323 4.657 4.320 0.023 0.000 0.246 365 A C 0.443 178.006 177.584 -0.035 0.000 1.078 365 A CA -0.394 51.667 52.037 0.040 0.000 0.770 365 A CB -0.118 18.898 19.000 0.026 0.000 1.011 365 A HN 0.375 nan 8.150 nan 0.000 0.494 366 N N 3.679 122.386 118.700 0.011 0.000 2.416 366 N HA 0.058 4.812 4.740 0.023 0.000 0.271 366 N C -1.351 174.021 175.510 -0.230 0.000 1.245 366 N CA -1.758 51.280 53.050 -0.021 0.000 0.940 366 N CB 0.944 39.502 38.487 0.119 0.000 1.175 366 N HN 0.354 nan 8.380 nan 0.000 0.483 367 P HA -0.161 nan 4.420 nan 0.000 0.218 367 P C 0.687 177.332 177.300 -1.092 0.000 1.148 367 P CA 1.376 63.849 63.100 -1.045 0.000 0.822 367 P CB 0.100 31.230 31.700 -0.949 0.000 0.784 368 Y N 0.445 120.523 120.300 -0.370 0.000 2.092 368 Y HA -0.118 4.444 4.550 0.019 0.000 0.282 368 Y C 2.855 178.663 175.900 -0.154 0.000 1.126 368 Y CA 1.126 59.102 58.100 -0.208 0.000 1.111 368 Y CB -1.698 36.704 38.460 -0.097 0.000 0.987 368 Y HN -0.245 nan 8.280 nan 0.000 0.489 369 L N -1.188 120.085 121.223 0.083 0.000 2.079 369 L HA -0.264 4.090 4.340 0.023 0.000 0.210 369 L C 2.690 179.628 176.870 0.113 0.000 1.081 369 L CA 1.299 56.214 54.840 0.124 0.000 0.752 369 L CB -0.867 41.257 42.059 0.108 0.000 0.896 369 L HN 0.463 nan 8.230 nan 0.000 0.433 370 C N 0.089 119.369 119.300 -0.033 0.000 2.432 370 C HA -0.187 4.287 4.460 0.023 0.000 0.277 370 C C 2.823 177.919 174.990 0.178 0.000 1.249 370 C CA 0.439 59.471 59.018 0.022 0.000 1.725 370 C CB -0.782 26.890 27.740 -0.112 0.000 2.028 370 C HN 0.445 nan 8.230 nan 0.000 0.477 371 F N 1.995 121.894 119.950 -0.086 0.000 2.113 371 F HA 0.093 4.635 4.527 0.026 0.000 0.297 371 F C 2.692 178.482 175.800 -0.016 0.000 1.103 371 F CA 1.008 58.830 58.000 -0.298 0.000 1.248 371 F CB -1.777 36.667 39.000 -0.927 0.000 0.999 371 F HN 0.305 nan 8.300 nan 0.000 0.475 372 A N 0.463 123.416 122.820 0.221 0.000 1.873 372 A HA -0.171 4.163 4.320 0.023 0.000 0.218 372 A C 2.521 180.312 177.584 0.344 0.000 1.193 372 A CA 2.568 54.758 52.037 0.255 0.000 0.629 372 A CB -1.388 17.716 19.000 0.173 0.000 0.826 372 A HN 0.311 nan 8.150 nan 0.000 0.447 373 A N -0.837 122.192 122.820 0.347 0.000 1.908 373 A HA -0.052 4.282 4.320 0.023 0.000 0.218 373 A C 2.041 179.842 177.584 0.363 0.000 1.181 373 A CA 1.747 53.956 52.037 0.288 0.000 0.627 373 A CB -0.537 18.579 19.000 0.193 0.000 0.818 373 A HN 0.403 nan 8.150 nan 0.000 0.445 374 L N -0.454 121.003 121.223 0.389 0.000 2.042 374 L HA -0.150 4.204 4.340 0.023 0.000 0.210 374 L C 2.498 179.573 176.870 0.342 0.000 1.076 374 L CA 1.462 56.532 54.840 0.383 0.000 0.749 374 L CB -1.323 41.040 42.059 0.508 0.000 0.893 374 L HN 0.461 nan 8.230 nan 0.000 0.432 375 L N -1.140 120.363 121.223 0.467 0.000 1.976 375 L HA -0.237 4.117 4.340 0.023 0.000 0.209 375 L C 2.592 179.616 176.870 0.257 0.000 1.071 375 L CA 1.419 56.516 54.840 0.429 0.000 0.746 375 L CB -0.172 42.172 42.059 0.476 0.000 0.890 375 L HN 0.231 nan 8.230 nan 0.000 0.432 376 M N -0.176 119.582 119.600 0.264 0.000 2.143 376 M HA -0.220 4.274 4.480 0.023 0.000 0.258 376 M C 2.426 178.876 176.300 0.249 0.000 1.071 376 M CA 1.967 57.404 55.300 0.229 0.000 1.088 376 M CB -1.787 30.910 32.600 0.162 0.000 1.360 376 M HN 0.382 nan 8.290 nan 0.000 0.404 377 A N 0.229 123.175 122.820 0.209 0.000 1.873 377 A HA 0.024 4.358 4.320 0.023 0.000 0.215 377 A C 2.505 179.964 177.584 -0.208 0.000 1.186 377 A CA 1.965 53.897 52.037 -0.175 0.000 0.616 377 A CB -1.454 17.442 19.000 -0.173 0.000 0.823 377 A HN 0.509 nan 8.150 nan 0.000 0.442 378 G N -0.268 108.269 108.800 -0.439 0.000 2.422 378 G HA2 -0.144 3.830 3.960 0.023 0.000 0.218 378 G HA3 -0.144 3.830 3.960 0.023 0.000 0.218 378 G C 1.556 176.208 174.900 -0.414 0.000 1.146 378 G CA 1.020 45.465 45.100 -1.091 0.000 0.769 378 G HN 0.417 nan 8.290 nan 0.000 0.547 379 L N 0.224 121.407 121.223 -0.066 0.000 2.005 379 L HA -0.059 4.295 4.340 0.023 0.000 0.207 379 L C 2.540 179.481 176.870 0.119 0.000 1.072 379 L CA 1.659 56.589 54.840 0.150 0.000 0.744 379 L CB -0.603 41.619 42.059 0.272 0.000 0.895 379 L HN 0.228 nan 8.230 nan 0.000 0.433 380 D N -0.074 120.383 120.400 0.095 0.000 2.239 380 D HA -0.180 4.474 4.640 0.023 0.000 0.202 380 D C 2.038 178.378 176.300 0.067 0.000 0.993 380 D CA 1.330 55.387 54.000 0.094 0.000 0.874 380 D CB 0.041 40.888 40.800 0.079 0.000 0.922 380 D HN 0.304 nan 8.370 nan 0.000 0.464 381 G N 0.237 109.056 108.800 0.032 0.000 2.434 381 G HA2 -0.217 3.757 3.960 0.023 0.000 0.214 381 G HA3 -0.217 3.757 3.960 0.023 0.000 0.214 381 G C 1.700 176.635 174.900 0.059 0.000 1.202 381 G CA 0.669 45.787 45.100 0.030 0.000 0.788 381 G HN 0.333 nan 8.290 nan 0.000 0.539 382 I N 0.419 121.074 120.570 0.142 0.000 2.091 382 I HA -0.231 3.953 4.170 0.023 0.000 0.239 382 I C 2.836 178.992 176.117 0.066 0.000 1.061 382 I CA 1.512 62.927 61.300 0.191 0.000 1.317 382 I CB -0.185 37.958 38.000 0.238 0.000 1.031 382 I HN 0.099 nan 8.210 nan 0.000 0.401 383 K N 0.417 120.862 120.400 0.076 0.000 2.218 383 K HA -0.172 4.162 4.320 0.023 0.000 0.205 383 K C 0.587 177.187 176.600 0.001 0.000 1.046 383 K CA 1.182 57.501 56.287 0.053 0.000 0.933 383 K CB -0.128 32.430 32.500 0.097 0.000 0.728 383 K HN 0.454 nan 8.250 nan 0.000 0.454 384 N N 0.258 118.933 118.700 -0.042 0.000 2.365 384 N HA -0.024 4.730 4.740 0.023 0.000 0.257 384 N C -0.490 174.892 175.510 -0.212 0.000 1.287 384 N CA -0.043 52.956 53.050 -0.084 0.000 0.882 384 N CB 1.092 39.557 38.487 -0.037 0.000 1.250 384 N HN 0.020 nan 8.380 nan 0.000 0.507 385 K N 1.315 121.461 120.400 -0.423 0.000 2.975 385 K HA -0.180 4.154 4.320 0.023 0.000 0.257 385 K C -0.458 175.708 176.600 -0.724 0.000 1.005 385 K CA 0.314 55.991 56.287 -1.018 0.000 0.738 385 K CB -1.523 30.598 32.500 -0.631 0.000 1.236 385 K HN 0.419 nan 8.250 nan 0.000 0.483 386 I N 2.953 123.336 120.570 -0.312 0.000 2.725 386 I HA -0.077 4.107 4.170 0.023 0.000 0.296 386 I C 1.156 177.343 176.117 0.117 0.000 1.155 386 I CA 0.190 61.450 61.300 -0.066 0.000 1.450 386 I CB -0.305 37.670 38.000 -0.042 0.000 1.478 386 I HN 0.138 nan 8.210 nan 0.000 0.642 387 H N 9.273 128.411 119.070 0.115 0.000 2.899 387 H HA 0.109 4.679 4.556 0.024 0.000 0.303 387 H C -1.386 174.025 175.328 0.138 0.000 1.042 387 H CA -1.481 54.735 56.048 0.280 0.000 1.479 387 H CB 1.402 31.319 29.762 0.258 0.000 1.493 387 H HN 0.424 nan 8.280 nan 0.000 0.534 388 P HA -0.074 nan 4.420 nan 0.000 0.213 388 P C 0.741 178.142 177.300 0.168 0.000 1.170 388 P CA 2.041 65.088 63.100 -0.087 0.000 0.898 388 P CB 0.817 32.306 31.700 -0.351 0.000 0.787 389 G N -1.149 107.819 108.800 0.280 0.000 2.152 389 G HA2 0.013 3.987 3.960 0.023 0.000 0.058 389 G HA3 0.013 3.987 3.960 0.023 0.000 0.058 389 G C -1.437 173.617 174.900 0.257 0.000 0.966 389 G CA -0.401 44.891 45.100 0.320 0.000 1.149 389 G HN 0.269 nan 8.290 nan 0.000 0.402 390 E N 1.051 121.248 120.200 -0.004 0.000 2.314 390 E HA 0.541 4.905 4.350 0.023 0.000 0.272 390 E C -2.832 173.404 176.600 -0.607 0.000 0.884 390 E CA -1.531 54.731 56.400 -0.230 0.000 0.753 390 E CB 2.370 31.987 29.700 -0.137 0.000 1.213 390 E HN 0.201 nan 8.360 nan 0.000 0.432 391 P HA 0.143 nan 4.420 nan 0.000 0.270 391 P C -0.273 176.753 177.300 -0.458 0.000 1.242 391 P CA -0.136 62.409 63.100 -0.926 0.000 0.768 391 P CB 0.280 31.282 31.700 -1.164 0.000 0.820 392 M N 3.350 122.748 119.600 -0.336 0.000 2.268 392 M HA 0.126 4.620 4.480 0.023 0.000 0.349 392 M C 0.378 176.601 176.300 -0.129 0.000 1.485 392 M CA 0.983 56.176 55.300 -0.178 0.000 1.094 392 M CB -0.374 32.155 32.600 -0.118 0.000 1.843 392 M HN 0.361 nan 8.290 nan 0.000 0.460 408 P HA 0.325 nan 4.420 nan 0.000 0.274 408 P C -1.448 175.842 177.300 -0.017 0.000 1.231 408 P CA -0.077 63.014 63.100 -0.016 0.000 0.790 408 P CB 1.166 32.854 31.700 -0.020 0.000 0.951 409 Q N -0.113 119.672 119.800 -0.025 0.000 2.458 409 Q HA 0.450 4.804 4.340 0.023 0.000 0.282 409 Q C -0.212 175.749 176.000 -0.064 0.000 1.106 409 Q CA -1.364 54.420 55.803 -0.032 0.000 0.814 409 Q CB 2.188 30.918 28.738 -0.013 0.000 1.425 409 Q HN 0.402 nan 8.270 nan 0.000 0.437 410 V N -0.717 119.136 119.914 -0.103 0.000 3.332 410 V HA 0.291 4.425 4.120 0.023 0.000 0.305 410 V C 0.369 176.435 176.094 -0.046 0.000 1.114 410 V CA -0.558 61.642 62.300 -0.168 0.000 1.194 410 V CB -0.275 31.389 31.823 -0.264 0.000 1.027 410 V HN 0.855 nan 8.190 nan 0.000 0.492 411 A N 2.607 125.422 122.820 -0.009 0.000 2.567 411 A HA 0.436 4.770 4.320 0.023 0.000 0.240 411 A C 1.469 179.098 177.584 0.074 0.000 1.053 411 A CA 0.343 52.395 52.037 0.025 0.000 0.755 411 A CB -0.271 18.748 19.000 0.031 0.000 0.978 411 A HN 1.797 nan 8.150 nan 0.000 0.507 412 G N 1.058 109.849 108.800 -0.015 0.000 2.920 412 G HA2 0.365 4.339 3.960 0.023 0.000 0.208 412 G HA3 0.365 4.339 3.960 0.023 0.000 0.208 412 G C 0.463 175.284 174.900 -0.132 0.000 1.159 412 G CA 0.900 46.009 45.100 0.015 0.000 0.784 412 G HN 1.707 nan 8.290 nan 0.000 0.535 413 S N -1.878 113.504 115.700 -0.530 0.000 2.578 413 S HA 0.285 4.769 4.470 0.023 0.000 0.272 413 S C 0.261 174.151 174.600 -1.184 0.000 1.145 413 S CA -0.607 57.074 58.200 -0.864 0.000 0.835 413 S CB 1.025 64.025 63.200 -0.333 0.000 1.104 413 S HN 0.086 nan 8.310 nan 0.000 0.458 414 L N 1.537 122.174 121.223 -0.976 0.000 2.079 414 L HA 0.065 4.419 4.340 0.023 0.000 0.210 414 L C 2.444 179.198 176.870 -0.193 0.000 1.081 414 L CA 2.475 57.087 54.840 -0.381 0.000 0.752 414 L CB -0.800 41.251 42.059 -0.014 0.000 0.896 414 L HN 1.003 nan 8.230 nan 0.000 0.433 415 E N -0.693 119.403 120.200 -0.173 0.000 2.077 415 E HA -0.292 4.072 4.350 0.023 0.000 0.193 415 E C 2.070 178.618 176.600 -0.087 0.000 0.989 415 E CA 1.373 57.717 56.400 -0.094 0.000 0.800 415 E CB -0.077 29.577 29.700 -0.076 0.000 0.746 415 E HN 0.700 nan 8.360 nan 0.000 0.452 416 E N -0.005 120.114 120.200 -0.134 0.000 2.031 416 E HA -0.214 4.150 4.350 0.023 0.000 0.193 416 E C 2.002 178.566 176.600 -0.060 0.000 0.994 416 E CA 1.100 57.442 56.400 -0.097 0.000 0.800 416 E CB -0.187 29.440 29.700 -0.122 0.000 0.752 416 E HN 0.305 nan 8.360 nan 0.000 0.447 417 A N 1.173 123.945 122.820 -0.080 0.000 1.917 417 A HA -0.206 4.128 4.320 0.023 0.000 0.219 417 A C 2.241 179.863 177.584 0.063 0.000 1.182 417 A CA 1.507 53.560 52.037 0.027 0.000 0.633 417 A CB -0.787 18.279 19.000 0.110 0.000 0.819 417 A HN 0.336 nan 8.150 nan 0.000 0.448 418 L N -0.533 120.718 121.223 0.047 0.000 2.056 418 L HA -0.193 4.161 4.340 0.023 0.000 0.207 418 L C 2.367 179.265 176.870 0.047 0.000 1.078 418 L CA 1.234 56.115 54.840 0.069 0.000 0.749 418 L CB -0.751 41.334 42.059 0.043 0.000 0.901 418 L HN 0.387 nan 8.230 nan 0.000 0.433 419 N N 0.582 119.294 118.700 0.020 0.000 2.069 419 N HA -0.181 4.573 4.740 0.023 0.000 0.191 419 N C 1.893 177.420 175.510 0.029 0.000 1.031 419 N CA 1.658 54.719 53.050 0.017 0.000 0.852 419 N CB -0.368 38.120 38.487 0.002 0.000 1.018 419 N HN 0.319 nan 8.380 nan 0.000 0.423 420 A N 1.255 124.095 122.820 0.032 0.000 1.883 420 A HA -0.121 4.213 4.320 0.023 0.000 0.217 420 A C 2.295 179.925 177.584 0.076 0.000 1.186 420 A CA 1.187 53.254 52.037 0.050 0.000 0.624 420 A CB -0.841 18.187 19.000 0.047 0.000 0.822 420 A HN 0.255 nan 8.150 nan 0.000 0.444 421 L N 0.443 121.713 121.223 0.079 0.000 2.017 421 L HA -0.189 4.165 4.340 0.023 0.000 0.208 421 L C 2.029 178.916 176.870 0.028 0.000 1.073 421 L CA 2.916 57.792 54.840 0.060 0.000 0.745 421 L CB -0.733 41.359 42.059 0.056 0.000 0.894 421 L HN 0.540 nan 8.230 nan 0.000 0.432 422 D N -1.088 119.334 120.400 0.036 0.000 2.158 422 D HA -0.237 4.418 4.640 0.023 0.000 0.197 422 D C 2.013 178.326 176.300 0.022 0.000 0.995 422 D CA 1.830 55.844 54.000 0.024 0.000 0.846 422 D CB -0.081 40.737 40.800 0.030 0.000 0.941 422 D HN 0.476 nan 8.370 nan 0.000 0.456 423 L N -0.772 120.473 121.223 0.036 0.000 2.298 423 L HA 0.095 4.449 4.340 0.023 0.000 0.209 423 L C 1.272 178.182 176.870 0.066 0.000 1.084 423 L CA 0.521 55.385 54.840 0.041 0.000 0.816 423 L CB -0.011 42.070 42.059 0.037 0.000 0.967 423 L HN -0.023 nan 8.230 nan 0.000 0.460 424 D N 0.227 120.691 120.400 0.107 0.000 2.538 424 D HA -0.020 4.634 4.640 0.023 0.000 0.234 424 D C 1.779 178.204 176.300 0.208 0.000 1.191 424 D CA 0.014 54.140 54.000 0.209 0.000 0.828 424 D CB 0.132 41.099 40.800 0.279 0.000 0.981 424 D HN -0.018 nan 8.370 nan 0.000 0.490 425 R N 0.057 120.580 120.500 0.038 0.000 2.159 425 R HA -0.166 4.188 4.340 0.023 0.000 0.237 425 R C 1.396 177.600 176.300 -0.160 0.000 1.131 425 R CA 1.046 57.080 56.100 -0.110 0.000 0.982 425 R CB 0.268 30.528 30.300 -0.068 0.000 0.868 425 R HN 0.022 nan 8.270 nan 0.000 0.453 426 E N 0.263 120.453 120.200 -0.016 0.000 2.058 426 E HA -0.209 4.155 4.350 0.023 0.000 0.194 426 E C 1.606 178.176 176.600 -0.050 0.000 0.997 426 E CA 1.824 58.219 56.400 -0.008 0.000 0.801 426 E CB -0.452 29.292 29.700 0.074 0.000 0.746 426 E HN 0.511 nan 8.360 nan 0.000 0.450 427 F N -0.646 119.216 119.950 -0.146 0.000 2.269 427 F HA -0.080 4.460 4.527 0.021 0.000 0.301 427 F C 1.544 177.211 175.800 -0.223 0.000 1.082 427 F CA 0.603 58.468 58.000 -0.226 0.000 1.360 427 F CB -0.493 38.207 39.000 -0.500 0.000 1.041 427 F HN -0.019 nan 8.300 nan 0.000 0.512 428 L N 1.121 121.680 121.223 -1.106 0.000 2.109 428 L HA -0.043 4.311 4.340 0.023 0.000 0.207 428 L C 2.193 178.874 176.870 -0.316 0.000 1.086 428 L CA 1.447 55.780 54.840 -0.845 0.000 0.760 428 L CB -1.453 39.884 42.059 -1.203 0.000 0.910 428 L HN 0.258 nan 8.230 nan 0.000 0.437 429 K N 0.071 120.320 120.400 -0.250 0.000 2.439 429 K HA 0.097 4.431 4.320 0.023 0.000 0.197 429 K C 0.958 177.480 176.600 -0.129 0.000 1.041 429 K CA 0.267 56.481 56.287 -0.121 0.000 0.970 429 K CB -0.143 32.303 32.500 -0.091 0.000 0.773 429 K HN 0.218 nan 8.250 nan 0.000 0.479 430 A N 1.401 124.105 122.820 -0.192 0.000 2.573 430 A HA 0.253 4.587 4.320 0.023 0.000 0.250 430 A C 1.306 178.629 177.584 -0.434 0.000 1.049 430 A CA 0.822 52.708 52.037 -0.252 0.000 0.767 430 A CB -0.821 17.983 19.000 -0.327 0.000 0.965 430 A HN 0.557 nan 8.150 nan 0.000 0.514 431 G N 1.530 110.283 108.800 -0.078 0.000 2.168 431 G HA2 0.106 4.080 3.960 0.023 0.000 0.257 431 G HA3 0.106 4.080 3.960 0.023 0.000 0.257 431 G C 1.684 176.596 174.900 0.021 0.000 0.997 431 G CA 1.109 46.279 45.100 0.116 0.000 0.708 431 G HN 2.855 nan 8.290 nan 0.000 0.520 432 G N -2.697 106.080 108.800 -0.039 0.000 2.179 432 G HA2 -0.088 3.886 3.960 0.023 0.000 0.260 432 G HA3 -0.088 3.886 3.960 0.023 0.000 0.260 432 G C 0.588 175.447 174.900 -0.069 0.000 0.977 432 G CA 0.523 45.600 45.100 -0.037 0.000 0.641 432 G HN 1.708 nan 8.290 nan 0.000 0.533 433 V N 1.521 121.376 119.914 -0.099 0.000 2.458 433 V HA 0.437 4.572 4.120 0.023 0.000 0.287 433 V C 0.891 176.959 176.094 -0.043 0.000 1.009 433 V CA 0.957 63.179 62.300 -0.130 0.000 1.091 433 V CB -1.055 30.693 31.823 -0.124 0.000 0.960 433 V HN 0.811 nan 8.190 nan 0.000 0.476 434 F N 2.943 122.805 119.950 -0.147 0.000 2.130 434 F HA -0.159 4.382 4.527 0.024 0.000 0.464 434 F C 0.769 176.481 175.800 -0.146 0.000 1.225 434 F CA 0.757 58.662 58.000 -0.159 0.000 1.505 434 F CB -1.306 37.573 39.000 -0.202 0.000 2.379 434 F HN 0.776 nan 8.300 nan 0.000 0.732 435 T N -1.224 113.351 114.554 0.035 0.000 2.847 435 T HA 0.285 4.649 4.350 0.023 0.000 0.279 435 T C 1.142 175.848 174.700 0.010 0.000 0.984 435 T CA -0.266 61.831 62.100 -0.004 0.000 0.988 435 T CB 1.480 70.317 68.868 -0.051 0.000 1.040 435 T HN 0.480 nan 8.240 nan 0.000 0.528 436 D N 0.810 121.204 120.400 -0.010 0.000 2.123 436 D HA -0.120 4.534 4.640 0.023 0.000 0.196 436 D C 1.907 178.210 176.300 0.006 0.000 0.992 436 D CA 1.608 55.604 54.000 -0.006 0.000 0.833 436 D CB -0.035 40.760 40.800 -0.009 0.000 0.954 436 D HN 0.726 nan 8.370 nan 0.000 0.455 437 E N 1.164 121.360 120.200 -0.007 0.000 2.085 437 E HA -0.125 4.239 4.350 0.023 0.000 0.194 437 E C 2.072 178.683 176.600 0.019 0.000 0.994 437 E CA 1.151 57.550 56.400 -0.003 0.000 0.801 437 E CB -0.340 29.338 29.700 -0.036 0.000 0.743 437 E HN 0.245 nan 8.360 nan 0.000 0.453 438 A N 0.900 123.724 122.820 0.007 0.000 1.858 438 A HA -0.186 4.148 4.320 0.023 0.000 0.216 438 A C 2.308 179.980 177.584 0.147 0.000 1.190 438 A CA 1.461 53.532 52.037 0.057 0.000 0.617 438 A CB -0.744 18.282 19.000 0.044 0.000 0.827 438 A HN 0.196 nan 8.150 nan 0.000 0.443 439 I N -0.203 120.435 120.570 0.114 0.000 2.179 439 I HA -0.233 3.951 4.170 0.023 0.000 0.242 439 I C 1.912 178.106 176.117 0.127 0.000 1.088 439 I CA 1.523 62.875 61.300 0.085 0.000 1.357 439 I CB -0.567 37.413 38.000 -0.033 0.000 1.051 439 I HN 0.282 nan 8.210 nan 0.000 0.409 440 D N 1.198 121.650 120.400 0.086 0.000 2.123 440 D HA -0.170 4.484 4.640 0.023 0.000 0.196 440 D C 2.226 178.589 176.300 0.105 0.000 0.992 440 D CA 1.665 55.714 54.000 0.081 0.000 0.833 440 D CB -0.152 40.678 40.800 0.051 0.000 0.954 440 D HN 0.361 nan 8.370 nan 0.000 0.455 441 A N -0.015 122.881 122.820 0.126 0.000 1.930 441 A HA -0.195 4.139 4.320 0.023 0.000 0.217 441 A C 2.157 179.842 177.584 0.168 0.000 1.175 441 A CA 1.050 53.170 52.037 0.140 0.000 0.627 441 A CB -0.896 18.202 19.000 0.164 0.000 0.815 441 A HN 0.300 nan 8.150 nan 0.000 0.443 442 Y N 0.564 120.924 120.300 0.100 0.000 2.089 442 Y HA -0.211 4.354 4.550 0.025 0.000 0.282 442 Y C 2.044 177.990 175.900 0.077 0.000 1.139 442 Y CA 1.962 60.125 58.100 0.105 0.000 1.123 442 Y CB -0.323 38.206 38.460 0.115 0.000 0.980 442 Y HN 0.258 nan 8.280 nan 0.000 0.493 443 I N 0.117 120.777 120.570 0.151 0.000 2.208 443 I HA -0.383 3.801 4.170 0.023 0.000 0.245 443 I C 2.676 178.775 176.117 -0.029 0.000 1.097 443 I CA 1.255 62.580 61.300 0.041 0.000 1.363 443 I CB -0.833 37.226 38.000 0.098 0.000 1.051 443 I HN 0.372 nan 8.210 nan 0.000 0.413 444 A N 1.068 123.891 122.820 0.005 0.000 1.892 444 A HA -0.212 4.122 4.320 0.023 0.000 0.218 444 A C 2.312 179.876 177.584 -0.035 0.000 1.188 444 A CA 1.649 53.684 52.037 -0.002 0.000 0.631 444 A CB -0.907 18.109 19.000 0.028 0.000 0.822 444 A HN 0.387 nan 8.150 nan 0.000 0.447 445 L N -1.774 119.408 121.223 -0.068 0.000 1.976 445 L HA -0.189 4.165 4.340 0.023 0.000 0.209 445 L C 2.827 179.618 176.870 -0.132 0.000 1.071 445 L CA 1.706 56.489 54.840 -0.094 0.000 0.746 445 L CB -0.501 41.486 42.059 -0.120 0.000 0.890 445 L HN 0.228 nan 8.230 nan 0.000 0.432 446 R N -0.171 120.185 120.500 -0.240 0.000 2.159 446 R HA -0.137 4.217 4.340 0.023 0.000 0.237 446 R C 2.282 178.534 176.300 -0.079 0.000 1.131 446 R CA 1.145 57.136 56.100 -0.182 0.000 0.982 446 R CB -0.447 29.692 30.300 -0.270 0.000 0.868 446 R HN 0.204 nan 8.270 nan 0.000 0.453 447 R N -0.185 120.277 120.500 -0.063 0.000 2.073 447 R HA -0.073 4.281 4.340 0.023 0.000 0.229 447 R C 1.984 178.272 176.300 -0.020 0.000 1.120 447 R CA 1.478 57.561 56.100 -0.029 0.000 0.967 447 R CB -0.099 30.190 30.300 -0.019 0.000 0.862 447 R HN 0.273 nan 8.270 nan 0.000 0.436 448 E N 0.365 120.552 120.200 -0.022 0.000 2.118 448 E HA -0.243 4.121 4.350 0.023 0.000 0.195 448 E C 1.486 178.081 176.600 -0.009 0.000 0.992 448 E CA 1.594 57.987 56.400 -0.012 0.000 0.804 448 E CB 0.169 29.862 29.700 -0.012 0.000 0.741 448 E HN 0.403 nan 8.360 nan 0.000 0.458 449 E N 0.101 120.292 120.200 -0.015 0.000 2.046 449 E HA -0.191 4.173 4.350 0.023 0.000 0.190 449 E C 1.877 178.479 176.600 0.003 0.000 0.982 449 E CA 1.223 57.619 56.400 -0.006 0.000 0.800 449 E CB -0.116 29.579 29.700 -0.008 0.000 0.756 449 E HN 0.253 nan 8.360 nan 0.000 0.449 450 D N 0.893 121.294 120.400 0.001 0.000 2.123 450 D HA -0.195 4.459 4.640 0.023 0.000 0.196 450 D C 1.519 177.823 176.300 0.006 0.000 0.992 450 D CA 1.451 55.455 54.000 0.006 0.000 0.833 450 D CB 0.016 40.813 40.800 -0.004 0.000 0.954 450 D HN -0.005 nan 8.370 nan 0.000 0.455 451 D N -0.545 119.856 120.400 0.002 0.000 2.104 451 D HA -0.165 4.490 4.640 0.023 0.000 0.194 451 D C 2.055 178.361 176.300 0.011 0.000 0.994 451 D CA 0.759 54.762 54.000 0.005 0.000 0.830 451 D CB -0.300 40.502 40.800 0.003 0.000 0.959 451 D HN 0.219 nan 8.370 nan 0.000 0.452 452 R N 0.493 120.999 120.500 0.010 0.000 2.081 452 R HA -0.108 4.246 4.340 0.023 0.000 0.235 452 R C 2.079 178.389 176.300 0.016 0.000 1.131 452 R CA 1.061 57.169 56.100 0.012 0.000 0.960 452 R CB -0.239 30.066 30.300 0.008 0.000 0.856 452 R HN 0.023 nan 8.270 nan 0.000 0.436 453 V N 0.680 120.604 119.914 0.016 0.000 2.427 453 V HA -0.190 3.944 4.120 0.023 0.000 0.248 453 V C 2.493 178.610 176.094 0.038 0.000 1.051 453 V CA 2.067 64.382 62.300 0.025 0.000 1.048 453 V CB -0.612 31.230 31.823 0.031 0.000 0.666 453 V HN 0.377 nan 8.190 nan 0.000 0.456 454 R N -0.413 120.105 120.500 0.030 0.000 2.090 454 R HA -0.029 4.325 4.340 0.023 0.000 0.228 454 R C 2.149 178.468 176.300 0.032 0.000 1.110 454 R CA 1.390 57.508 56.100 0.030 0.000 0.973 454 R CB -0.101 30.208 30.300 0.015 0.000 0.869 454 R HN 0.445 nan 8.270 nan 0.000 0.440 455 M N -0.632 118.985 119.600 0.029 0.000 2.541 455 M HA 0.066 4.560 4.480 0.023 0.000 0.252 455 M C 0.088 176.414 176.300 0.043 0.000 1.125 455 M CA 0.485 55.803 55.300 0.030 0.000 1.091 455 M CB 0.716 33.330 32.600 0.023 0.000 1.420 455 M HN -0.136 nan 8.290 nan 0.000 0.486 456 T N 4.025 118.608 114.554 0.049 0.000 2.728 456 T HA 0.275 4.639 4.350 0.023 0.000 0.296 456 T C -2.149 172.608 174.700 0.094 0.000 0.940 456 T CA -1.078 61.059 62.100 0.062 0.000 1.013 456 T CB 0.637 69.530 68.868 0.042 0.000 0.912 456 T HN 0.125 nan 8.240 nan 0.000 0.484 457 P HA 0.039 nan 4.420 nan 0.000 0.265 457 P C -0.549 176.897 177.300 0.243 0.000 1.193 457 P CA -0.115 63.100 63.100 0.192 0.000 0.765 457 P CB 0.427 32.271 31.700 0.241 0.000 0.823 458 H N 4.557 123.717 119.070 0.149 0.000 2.548 458 H HA 0.155 4.725 4.556 0.023 0.000 0.331 458 H C -1.112 174.343 175.328 0.212 0.000 1.093 458 H CA -1.754 54.371 56.048 0.129 0.000 1.367 458 H CB 1.138 30.940 29.762 0.067 0.000 1.455 458 H HN 0.238 nan 8.280 nan 0.000 0.519 459 P HA -0.259 nan 4.420 nan 0.000 0.216 459 P C 1.538 179.049 177.300 0.353 0.000 1.157 459 P CA 1.971 65.272 63.100 0.336 0.000 0.880 459 P CB -0.150 31.624 31.700 0.123 0.000 0.791 460 V N -1.920 118.176 119.914 0.304 0.000 2.913 460 V HA -0.162 3.972 4.120 0.023 0.000 0.260 460 V C 2.023 178.074 176.094 -0.071 0.000 1.098 460 V CA 1.502 63.802 62.300 -0.000 0.000 1.121 460 V CB -1.535 30.161 31.823 -0.211 0.000 0.714 460 V HN 0.070 nan 8.190 nan 0.000 0.487 461 E N 0.169 120.378 120.200 0.014 0.000 2.106 461 E HA -0.118 4.246 4.350 0.023 0.000 0.192 461 E C 1.899 178.435 176.600 -0.108 0.000 0.984 461 E CA 1.616 57.979 56.400 -0.062 0.000 0.806 461 E CB -0.293 29.445 29.700 0.063 0.000 0.750 461 E HN 0.709 nan 8.360 nan 0.000 0.458 462 F N 1.378 121.368 119.950 0.066 0.000 2.234 462 F HA -0.132 4.409 4.527 0.023 0.000 0.299 462 F C 2.398 178.217 175.800 0.032 0.000 1.087 462 F CA 1.127 59.183 58.000 0.094 0.000 1.340 462 F CB -0.098 38.926 39.000 0.040 0.000 1.031 462 F HN 0.013 nan 8.300 nan 0.000 0.500 463 E N -0.003 120.265 120.200 0.114 0.000 2.110 463 E HA -0.197 4.167 4.350 0.023 0.000 0.193 463 E C 2.023 178.565 176.600 -0.096 0.000 0.988 463 E CA 0.914 57.316 56.400 0.004 0.000 0.804 463 E CB -0.029 29.650 29.700 -0.035 0.000 0.745 463 E HN 0.202 nan 8.360 nan 0.000 0.458 464 L N -0.556 120.497 121.223 -0.282 0.000 2.162 464 L HA -0.067 4.287 4.340 0.023 0.000 0.205 464 L C 1.149 177.727 176.870 -0.487 0.000 1.086 464 L CA 1.484 55.984 54.840 -0.567 0.000 0.778 464 L CB -0.181 41.203 42.059 -1.125 0.000 0.928 464 L HN 0.250 nan 8.230 nan 0.000 0.446 465 Y N -4.428 115.857 120.300 -0.025 0.000 2.527 465 Y HA 0.120 4.684 4.550 0.023 0.000 0.247 465 Y C 1.765 177.643 175.900 -0.035 0.000 1.138 465 Y CA -1.192 56.874 58.100 -0.056 0.000 1.228 465 Y CB -0.828 37.560 38.460 -0.119 0.000 1.252 465 Y HN 0.024 nan 8.280 nan 0.000 0.531 466 Y N 0.791 121.116 120.300 0.041 0.000 2.181 466 Y HA -0.167 4.397 4.550 0.023 0.000 0.288 466 Y C 1.952 177.887 175.900 0.059 0.000 1.146 466 Y CA 1.817 59.954 58.100 0.062 0.000 1.164 466 Y CB -0.064 38.485 38.460 0.148 0.000 0.982 466 Y HN -0.086 nan 8.280 nan 0.000 0.515 467 S N -0.127 115.631 115.700 0.097 0.000 2.803 467 S HA 0.109 4.593 4.470 0.023 0.000 0.228 467 S C 0.488 175.076 174.600 -0.019 0.000 0.953 467 S CA -0.151 58.055 58.200 0.011 0.000 0.983 467 S CB -0.800 62.454 63.200 0.090 0.000 0.784 467 S HN 0.144 nan 8.310 nan 0.000 0.498 468 V N 0.000 119.896 119.914 -0.030 0.000 2.409 468 V HA 0.000 4.134 4.120 0.023 0.000 0.244 468 V CA 0.000 62.287 62.300 -0.022 0.000 1.235 468 V CB 0.000 31.818 31.823 -0.009 0.000 1.184 468 V HN 0.000 nan 8.190 nan 0.000 0.556