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 3cq4_1_A DATA FIRST_RESID 3 DATA SEQUENCE KITLSDLPLR EELRXXXXXX XXXXXVDIRL NTNENPYPPS EALVADLVAT DATA SEQUENCE VDKIATELXX XXXRDAVELR DELAAYITKQ TGVAVTRDNL WAANGSNEIL DATA SEQUENCE QQLLQAFGGP GRTALGFQPS YSMHPILAKG THTEFIAVSR GADFRIDMDV DATA SEQUENCE ALEEIRAKQP DIVFVTTPNN PTGDVTSLDD VERIINVAPG IVIVDEAYAE DATA SEQUENCE FSPSPSATTL LEKYPTKLVV SRTMSKAFDF AGGRLGYFVA NPAFIDAVML DATA SEQUENCE VRLPYHLSAL SQAAAIVALR HSADTLGTVE KLSVERVRVA ARLEELGYAV DATA SEQUENCE VPSESNFVFF GDFSDQHAAW QAFLDRGVLI RDVGIAGHLR TTIGVPEEND DATA SEQUENCE AFLDAAAEII KLNLSAWSHP QFE 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.603 176.600 0.004 0.000 0.988 3 K CA 0.000 56.289 56.287 0.004 0.000 0.838 3 K CB 0.000 32.503 32.500 0.004 0.000 1.064 4 I N 2.139 122.712 120.570 0.004 0.000 2.634 4 I HA 0.390 4.574 4.170 0.022 0.000 0.284 4 I C -0.062 176.058 176.117 0.005 0.000 1.124 4 I CA 0.582 61.885 61.300 0.004 0.000 1.417 4 I CB 1.228 39.230 38.000 0.004 0.000 1.396 4 I HN 0.725 nan 8.210 nan 0.000 0.571 5 T N 3.149 117.706 114.554 0.005 0.000 2.804 5 T HA 0.316 4.680 4.350 0.022 0.000 0.290 5 T C 0.480 175.183 174.700 0.005 0.000 1.099 5 T CA -0.724 61.379 62.100 0.005 0.000 1.011 5 T CB 1.008 69.879 68.868 0.006 0.000 1.291 5 T HN 0.691 nan 8.240 nan 0.000 0.523 6 L N 1.536 122.762 121.223 0.006 0.000 2.187 6 L HA 0.009 4.362 4.340 0.022 0.000 0.213 6 L C 2.514 179.387 176.870 0.005 0.000 1.100 6 L CA 2.561 57.404 54.840 0.005 0.000 0.765 6 L CB -1.115 40.947 42.059 0.005 0.000 0.904 6 L HN 0.878 nan 8.230 nan 0.000 0.437 7 S N -1.946 113.757 115.700 0.005 0.000 2.507 7 S HA -0.081 4.403 4.470 0.022 0.000 0.235 7 S C 1.312 175.915 174.600 0.004 0.000 0.988 7 S CA 0.846 59.049 58.200 0.004 0.000 0.944 7 S CB -0.497 62.706 63.200 0.004 0.000 0.762 7 S HN 0.508 nan 8.310 nan 0.000 0.526 8 D N 0.609 121.012 120.400 0.005 0.000 2.340 8 D HA 0.229 4.882 4.640 0.022 0.000 0.220 8 D C -0.216 176.087 176.300 0.005 0.000 1.039 8 D CA 0.167 54.170 54.000 0.004 0.000 0.866 8 D CB 0.077 40.880 40.800 0.004 0.000 0.913 8 D HN 0.302 nan 8.370 nan 0.000 0.523 9 L N 1.592 122.818 121.223 0.005 0.000 2.344 9 L HA 0.294 4.647 4.340 0.022 0.000 0.272 9 L C -1.826 175.048 176.870 0.006 0.000 1.035 9 L CA -2.167 52.676 54.840 0.006 0.000 0.807 9 L CB 0.846 42.909 42.059 0.006 0.000 1.237 9 L HN -0.234 nan 8.230 nan 0.000 0.442 10 P HA 0.099 nan 4.420 nan 0.000 0.220 10 P C -0.211 177.095 177.300 0.010 0.000 1.778 10 P CA -0.462 62.642 63.100 0.007 0.000 0.912 10 P CB 0.043 31.747 31.700 0.007 0.000 1.861 11 L N 1.134 122.363 121.223 0.009 0.000 2.490 11 L HA 0.057 4.410 4.340 0.022 0.000 0.274 11 L C 0.787 177.666 176.870 0.015 0.000 1.201 11 L CA 0.054 54.901 54.840 0.012 0.000 0.869 11 L CB 0.031 42.095 42.059 0.008 0.000 1.123 11 L HN 0.094 nan 8.230 nan 0.000 0.484 12 R N 4.325 124.838 120.500 0.022 0.000 2.494 12 R HA -0.069 4.284 4.340 0.022 0.000 0.291 12 R C 1.001 177.314 176.300 0.022 0.000 0.953 12 R CA -0.045 56.073 56.100 0.030 0.000 1.098 12 R CB 0.241 30.575 30.300 0.056 0.000 0.911 12 R HN 0.665 nan 8.270 nan 0.000 0.407 13 E N 2.713 122.925 120.200 0.019 0.000 2.153 13 E HA -0.222 4.142 4.350 0.022 0.000 0.194 13 E C 1.649 178.254 176.600 0.009 0.000 0.988 13 E CA 1.259 57.666 56.400 0.012 0.000 0.811 13 E CB 0.152 29.858 29.700 0.010 0.000 0.746 13 E HN 0.630 nan 8.360 nan 0.000 0.466 14 E N 1.040 121.249 120.200 0.015 0.000 2.347 14 E HA -0.143 4.220 4.350 0.022 0.000 0.196 14 E C 1.964 178.555 176.600 -0.016 0.000 1.008 14 E CA 0.473 56.874 56.400 0.002 0.000 0.852 14 E CB -0.400 29.305 29.700 0.009 0.000 0.783 14 E HN 0.316 nan 8.360 nan 0.000 0.505 15 L N 0.438 121.655 121.223 -0.010 0.000 2.418 15 L HA 0.093 4.446 4.340 0.022 0.000 0.218 15 L C 1.785 178.648 176.870 -0.013 0.000 1.125 15 L CA 0.141 54.970 54.840 -0.019 0.000 0.835 15 L CB -0.183 41.869 42.059 -0.013 0.000 0.953 15 L HN -0.045 nan 8.230 nan 0.000 0.454 29 D N 0.662 121.055 120.400 -0.012 0.000 2.269 29 D HA 0.283 4.936 4.640 0.022 0.000 0.220 29 D C 0.925 177.218 176.300 -0.011 0.000 0.962 29 D CA 1.838 55.832 54.000 -0.011 0.000 0.884 29 D CB 0.272 41.066 40.800 -0.010 0.000 1.023 29 D HN 0.810 nan 8.370 nan 0.000 0.484 30 I N -0.149 120.416 120.570 -0.008 0.000 2.328 30 I HA 0.429 4.612 4.170 0.022 0.000 0.287 30 I C -1.031 175.080 176.117 -0.009 0.000 1.012 30 I CA -0.688 60.607 61.300 -0.007 0.000 1.195 30 I CB 0.812 38.816 38.000 0.007 0.000 1.350 30 I HN -0.313 nan 8.210 nan 0.000 0.464 31 R N 7.319 127.808 120.500 -0.018 0.000 2.275 31 R HA 0.513 4.866 4.340 0.022 0.000 0.326 31 R C -0.701 175.577 176.300 -0.037 0.000 0.973 31 R CA -0.559 55.530 56.100 -0.019 0.000 0.854 31 R CB 1.620 31.914 30.300 -0.010 0.000 1.156 31 R HN 0.739 nan 8.270 nan 0.000 0.487 32 L N 3.998 125.188 121.223 -0.054 0.000 2.999 32 L HA 0.210 4.563 4.340 0.022 0.000 0.263 32 L C 0.571 177.385 176.870 -0.093 0.000 1.320 32 L CA -0.173 54.608 54.840 -0.098 0.000 0.913 32 L CB -0.022 41.934 42.059 -0.173 0.000 1.296 32 L HN 0.668 nan 8.230 nan 0.000 0.546 33 N N -0.981 117.688 118.700 -0.050 0.000 2.239 33 N HA 0.008 4.762 4.740 0.022 0.000 0.208 33 N C 0.404 175.876 175.510 -0.062 0.000 1.200 33 N CA 0.015 53.044 53.050 -0.036 0.000 0.895 33 N CB 0.693 39.200 38.487 0.032 0.000 1.085 33 N HN 0.215 nan 8.380 nan 0.000 0.500 34 T N -0.883 113.641 114.554 -0.050 0.000 2.823 34 T HA 0.400 4.763 4.350 0.022 0.000 0.279 34 T C -0.318 174.370 174.700 -0.021 0.000 0.998 34 T CA -0.784 61.285 62.100 -0.051 0.000 0.994 34 T CB 1.430 70.281 68.868 -0.028 0.000 0.960 34 T HN -0.114 nan 8.240 nan 0.000 0.448 35 N N 2.957 121.660 118.700 0.005 0.000 3.243 35 N HA 0.160 4.913 4.740 0.022 0.000 0.310 35 N C -0.186 175.431 175.510 0.179 0.000 1.313 35 N CA 0.051 53.167 53.050 0.109 0.000 1.204 35 N CB 0.029 38.660 38.487 0.240 0.000 1.483 35 N HN 0.704 nan 8.380 nan 0.000 0.553 36 E N -0.139 120.128 120.200 0.112 0.000 2.281 36 E HA 0.228 4.591 4.350 0.022 0.000 0.262 36 E C -0.486 176.203 176.600 0.149 0.000 0.933 36 E CA -0.935 55.550 56.400 0.141 0.000 0.809 36 E CB 1.426 31.179 29.700 0.089 0.000 1.242 36 E HN 0.044 nan 8.360 nan 0.000 0.418 37 N N 2.829 121.650 118.700 0.202 0.000 2.431 37 N HA 0.055 4.808 4.740 0.022 0.000 0.265 37 N C -1.622 173.977 175.510 0.148 0.000 1.184 37 N CA -1.305 51.881 53.050 0.227 0.000 0.943 37 N CB 0.788 39.426 38.487 0.253 0.000 1.080 37 N HN 0.295 nan 8.380 nan 0.000 0.477 38 P HA -0.018 nan 4.420 nan 0.000 0.236 38 P C -0.265 176.996 177.300 -0.065 0.000 1.177 38 P CA 0.415 63.493 63.100 -0.036 0.000 0.773 38 P CB 0.145 31.756 31.700 -0.150 0.000 0.878 39 Y N 1.874 122.200 120.300 0.044 0.000 2.411 39 Y HA 0.232 4.799 4.550 0.029 0.000 0.333 39 Y C -1.396 174.522 175.900 0.031 0.000 1.186 39 Y CA -2.072 56.048 58.100 0.035 0.000 1.381 39 Y CB -0.727 37.754 38.460 0.034 0.000 1.273 39 Y HN -0.030 nan 8.280 nan 0.000 0.546 40 P HA 0.076 nan 4.420 nan 0.000 0.272 40 P C -2.402 174.961 177.300 0.105 0.000 1.223 40 P CA -1.006 62.158 63.100 0.106 0.000 0.784 40 P CB -0.073 31.675 31.700 0.080 0.000 0.923 41 P HA 0.067 nan 4.420 nan 0.000 0.274 41 P C -0.340 176.978 177.300 0.031 0.000 1.237 41 P CA -0.262 62.871 63.100 0.056 0.000 0.793 41 P CB 0.408 32.137 31.700 0.048 0.000 0.977 42 S N 0.048 115.754 115.700 0.010 0.000 2.576 42 S HA 0.058 4.541 4.470 0.022 0.000 0.276 42 S C 1.133 175.717 174.600 -0.026 0.000 1.339 42 S CA -0.298 57.904 58.200 0.003 0.000 1.039 42 S CB 0.392 63.605 63.200 0.022 0.000 0.902 42 S HN 0.441 nan 8.310 nan 0.000 0.516 43 E N 2.132 122.329 120.200 -0.004 0.000 2.118 43 E HA -0.183 4.181 4.350 0.022 0.000 0.195 43 E C 2.321 178.904 176.600 -0.029 0.000 0.992 43 E CA 1.391 57.786 56.400 -0.009 0.000 0.804 43 E CB -0.468 29.237 29.700 0.008 0.000 0.741 43 E HN 0.866 nan 8.360 nan 0.000 0.458 44 A N 1.302 124.114 122.820 -0.014 0.000 1.902 44 A HA -0.177 4.157 4.320 0.022 0.000 0.217 44 A C 2.159 179.574 177.584 -0.283 0.000 1.181 44 A CA 1.102 53.144 52.037 0.009 0.000 0.623 44 A CB -0.531 18.584 19.000 0.192 0.000 0.818 44 A HN 0.230 nan 8.150 nan 0.000 0.443 45 L N 0.270 121.161 121.223 -0.553 0.000 1.955 45 L HA -0.142 4.211 4.340 0.022 0.000 0.213 45 L C 2.381 179.066 176.870 -0.307 0.000 1.072 45 L CA 2.412 56.793 54.840 -0.765 0.000 0.755 45 L CB -0.921 40.914 42.059 -0.374 0.000 0.888 45 L HN 0.162 nan 8.230 nan 0.000 0.432 46 V N 0.582 120.406 119.914 -0.150 0.000 2.324 46 V HA -0.363 3.770 4.120 0.022 0.000 0.250 46 V C 2.855 178.919 176.094 -0.051 0.000 1.060 46 V CA 1.886 64.147 62.300 -0.065 0.000 1.042 46 V CB -1.787 30.017 31.823 -0.031 0.000 0.650 46 V HN 0.678 nan 8.190 nan 0.000 0.450 47 A N -0.104 122.685 122.820 -0.052 0.000 1.858 47 A HA -0.304 4.029 4.320 0.022 0.000 0.216 47 A C 2.183 179.763 177.584 -0.008 0.000 1.190 47 A CA 2.099 54.125 52.037 -0.018 0.000 0.617 47 A CB -0.752 18.248 19.000 0.000 0.000 0.827 47 A HN 0.542 nan 8.150 nan 0.000 0.443 48 D N -0.622 119.769 120.400 -0.015 0.000 2.144 48 D HA -0.123 4.530 4.640 0.022 0.000 0.199 48 D C 1.801 178.108 176.300 0.012 0.000 0.984 48 D CA 0.947 54.967 54.000 0.033 0.000 0.834 48 D CB -0.189 40.688 40.800 0.127 0.000 0.955 48 D HN 0.182 nan 8.370 nan 0.000 0.465 49 L N 0.701 121.915 121.223 -0.016 0.000 1.994 49 L HA -0.138 4.216 4.340 0.022 0.000 0.208 49 L C 2.784 179.658 176.870 0.006 0.000 1.071 49 L CA 1.569 56.410 54.840 0.001 0.000 0.745 49 L CB -1.221 40.840 42.059 0.003 0.000 0.892 49 L HN 0.127 nan 8.230 nan 0.000 0.431 50 V N -2.934 116.980 119.914 0.001 0.000 2.427 50 V HA -0.140 3.994 4.120 0.022 0.000 0.248 50 V C 2.434 178.531 176.094 0.005 0.000 1.051 50 V CA 1.446 63.748 62.300 0.003 0.000 1.048 50 V CB -1.637 30.187 31.823 0.001 0.000 0.666 50 V HN 0.327 nan 8.190 nan 0.000 0.456 51 A N 0.594 123.419 122.820 0.007 0.000 1.929 51 A HA -0.088 4.245 4.320 0.022 0.000 0.216 51 A C 2.332 179.920 177.584 0.007 0.000 1.176 51 A CA 2.313 54.355 52.037 0.008 0.000 0.628 51 A CB -1.163 17.845 19.000 0.013 0.000 0.816 51 A HN 0.560 nan 8.150 nan 0.000 0.444 52 T N -0.760 113.799 114.554 0.009 0.000 2.737 52 T HA -0.122 4.241 4.350 0.022 0.000 0.265 52 T C 1.883 176.584 174.700 0.002 0.000 1.038 52 T CA 1.464 63.567 62.100 0.005 0.000 1.144 52 T CB -0.548 68.323 68.868 0.006 0.000 0.866 52 T HN 0.181 nan 8.240 nan 0.000 0.434 53 V N 1.872 121.788 119.914 0.005 0.000 2.332 53 V HA -0.197 3.936 4.120 0.022 0.000 0.248 53 V C 2.342 178.436 176.094 0.001 0.000 1.055 53 V CA 2.128 64.430 62.300 0.003 0.000 1.038 53 V CB -0.485 31.342 31.823 0.006 0.000 0.651 53 V HN 0.505 nan 8.190 nan 0.000 0.450 54 D N -0.344 120.058 120.400 0.002 0.000 2.104 54 D HA -0.254 4.399 4.640 0.022 0.000 0.194 54 D C 2.216 178.516 176.300 0.000 0.000 0.994 54 D CA 1.960 55.960 54.000 0.001 0.000 0.830 54 D CB -0.113 40.688 40.800 0.002 0.000 0.959 54 D HN 0.529 nan 8.370 nan 0.000 0.452 55 K N 0.109 120.509 120.400 0.000 0.000 2.032 55 K HA -0.168 4.166 4.320 0.022 0.000 0.209 55 K C 2.177 178.775 176.600 -0.003 0.000 1.048 55 K CA 0.999 57.286 56.287 -0.001 0.000 0.927 55 K CB -0.043 32.456 32.500 -0.001 0.000 0.712 55 K HN 0.082 nan 8.250 nan 0.000 0.441 56 I N 1.371 121.939 120.570 -0.004 0.000 2.394 56 I HA -0.131 4.052 4.170 0.022 0.000 0.251 56 I C 2.479 178.594 176.117 -0.004 0.000 1.136 56 I CA 1.092 62.389 61.300 -0.005 0.000 1.425 56 I CB -1.572 36.425 38.000 -0.006 0.000 1.079 56 I HN 0.200 nan 8.210 nan 0.000 0.425 57 A N 0.425 123.243 122.820 -0.003 0.000 1.855 57 A HA -0.101 4.232 4.320 0.022 0.000 0.215 57 A C 1.563 179.145 177.584 -0.003 0.000 1.191 57 A CA 1.449 53.484 52.037 -0.003 0.000 0.613 57 A CB -1.311 17.687 19.000 -0.002 0.000 0.829 57 A HN 0.497 nan 8.150 nan 0.000 0.442 58 T N -0.736 113.816 114.554 -0.003 0.000 2.932 58 T HA 0.278 4.641 4.350 0.022 0.000 0.312 58 T C -0.191 174.507 174.700 -0.004 0.000 1.071 58 T CA 0.105 62.203 62.100 -0.003 0.000 1.128 58 T CB 0.866 69.733 68.868 -0.002 0.000 0.984 58 T HN 0.439 nan 8.240 nan 0.000 0.549 59 E N 3.806 124.004 120.200 -0.004 0.000 2.255 59 E HA 0.327 4.690 4.350 0.022 0.000 0.245 59 E C 0.069 176.667 176.600 -0.004 0.000 0.909 59 E CA -1.058 55.339 56.400 -0.005 0.000 0.747 59 E CB 0.429 30.125 29.700 -0.005 0.000 1.215 59 E HN 0.670 nan 8.360 nan 0.000 0.424 67 D N 1.007 121.371 120.400 -0.059 0.000 2.861 67 D HA 0.289 4.942 4.640 0.022 0.000 0.357 67 D C -0.579 175.638 176.300 -0.137 0.000 1.250 67 D CA 0.577 54.538 54.000 -0.065 0.000 0.802 67 D CB 1.512 42.370 40.800 0.096 0.000 1.141 67 D HN 0.466 nan 8.370 nan 0.000 0.489 68 A N 0.195 122.911 122.820 -0.173 0.000 2.745 68 A HA -0.243 4.091 4.320 0.022 0.000 0.296 68 A C 1.702 179.192 177.584 -0.156 0.000 1.500 68 A CA 0.534 52.450 52.037 -0.203 0.000 0.766 68 A CB -2.161 16.645 19.000 -0.323 0.000 1.030 68 A HN 0.357 nan 8.150 nan 0.000 0.489 69 V N -0.607 119.250 119.914 -0.094 0.000 2.332 69 V HA -0.272 3.862 4.120 0.022 0.000 0.248 69 V C 2.354 178.403 176.094 -0.076 0.000 1.055 69 V CA 2.710 64.973 62.300 -0.062 0.000 1.038 69 V CB -0.396 31.409 31.823 -0.030 0.000 0.651 69 V HN 0.862 nan 8.190 nan 0.000 0.450 70 E N -0.234 119.916 120.200 -0.083 0.000 2.072 70 E HA -0.229 4.135 4.350 0.022 0.000 0.190 70 E C 2.185 178.714 176.600 -0.119 0.000 0.982 70 E CA 1.226 57.574 56.400 -0.086 0.000 0.803 70 E CB -0.108 29.547 29.700 -0.075 0.000 0.755 70 E HN 0.445 nan 8.360 nan 0.000 0.453 71 L N 1.362 122.494 121.223 -0.152 0.000 2.079 71 L HA -0.163 4.190 4.340 0.022 0.000 0.210 71 L C 2.148 178.890 176.870 -0.214 0.000 1.081 71 L CA 1.750 56.467 54.840 -0.204 0.000 0.752 71 L CB -0.241 41.675 42.059 -0.238 0.000 0.896 71 L HN -0.009 nan 8.230 nan 0.000 0.433 72 R N -0.567 119.826 120.500 -0.179 0.000 2.115 72 R HA -0.092 4.261 4.340 0.022 0.000 0.226 72 R C 1.904 178.142 176.300 -0.103 0.000 1.100 72 R CA 1.109 57.118 56.100 -0.151 0.000 0.980 72 R CB -0.378 29.858 30.300 -0.107 0.000 0.875 72 R HN 0.425 nan 8.270 nan 0.000 0.445 73 D N 0.684 121.032 120.400 -0.086 0.000 2.097 73 D HA -0.154 4.499 4.640 0.022 0.000 0.195 73 D C 1.786 178.042 176.300 -0.073 0.000 0.989 73 D CA 1.170 55.133 54.000 -0.061 0.000 0.827 73 D CB 0.010 40.778 40.800 -0.053 0.000 0.966 73 D HN 0.164 nan 8.370 nan 0.000 0.456 74 E N 0.415 120.550 120.200 -0.109 0.000 2.106 74 E HA -0.062 4.301 4.350 0.022 0.000 0.192 74 E C 2.573 179.094 176.600 -0.131 0.000 0.984 74 E CA 0.173 56.503 56.400 -0.117 0.000 0.806 74 E CB -0.298 29.311 29.700 -0.152 0.000 0.750 74 E HN 0.353 nan 8.360 nan 0.000 0.458 75 L N 0.665 121.759 121.223 -0.216 0.000 2.046 75 L HA -0.136 4.218 4.340 0.022 0.000 0.208 75 L C 2.560 179.390 176.870 -0.067 0.000 1.077 75 L CA 1.151 55.820 54.840 -0.285 0.000 0.747 75 L CB -0.546 41.194 42.059 -0.533 0.000 0.896 75 L HN 0.056 nan 8.230 nan 0.000 0.432 76 A N 0.034 122.829 122.820 -0.042 0.000 1.933 76 A HA -0.193 4.140 4.320 0.022 0.000 0.218 76 A C 2.526 180.125 177.584 0.024 0.000 1.175 76 A CA 1.807 53.855 52.037 0.019 0.000 0.628 76 A CB -0.698 18.308 19.000 0.010 0.000 0.814 76 A HN 0.410 nan 8.150 nan 0.000 0.444 77 A N -1.419 121.406 122.820 0.009 0.000 1.898 77 A HA -0.083 4.250 4.320 0.022 0.000 0.216 77 A C 2.133 179.735 177.584 0.030 0.000 1.181 77 A CA 1.655 53.698 52.037 0.010 0.000 0.620 77 A CB -0.856 18.143 19.000 -0.002 0.000 0.819 77 A HN 0.742 nan 8.150 nan 0.000 0.442 78 Y N 0.522 120.790 120.300 -0.053 0.000 2.097 78 Y HA -0.228 4.332 4.550 0.017 0.000 0.282 78 Y C 2.006 177.921 175.900 0.025 0.000 1.152 78 Y CA 1.994 60.081 58.100 -0.020 0.000 1.136 78 Y CB -0.389 38.036 38.460 -0.058 0.000 0.975 78 Y HN 0.254 nan 8.280 nan 0.000 0.498 79 I N -0.604 119.970 120.570 0.008 0.000 2.286 79 I HA -0.331 3.852 4.170 0.022 0.000 0.248 79 I C 2.239 178.307 176.117 -0.082 0.000 1.115 79 I CA 1.759 63.043 61.300 -0.027 0.000 1.392 79 I CB -0.592 37.506 38.000 0.163 0.000 1.065 79 I HN 0.272 nan 8.210 nan 0.000 0.418 80 T N 0.680 115.204 114.554 -0.049 0.000 2.652 80 T HA -0.205 4.158 4.350 0.022 0.000 0.267 80 T C 1.910 176.561 174.700 -0.081 0.000 1.039 80 T CA 1.412 63.485 62.100 -0.044 0.000 1.153 80 T CB -0.141 68.713 68.868 -0.023 0.000 0.863 80 T HN 0.319 nan 8.240 nan 0.000 0.428 81 K N 0.556 120.884 120.400 -0.119 0.000 2.057 81 K HA -0.047 4.286 4.320 0.022 0.000 0.207 81 K C 2.725 179.215 176.600 -0.183 0.000 1.049 81 K CA 0.926 57.132 56.287 -0.134 0.000 0.931 81 K CB -0.066 32.355 32.500 -0.131 0.000 0.714 81 K HN 0.237 nan 8.250 nan 0.000 0.440 82 Q N -0.182 119.428 119.800 -0.317 0.000 2.049 82 Q HA -0.092 4.261 4.340 0.022 0.000 0.198 82 Q C 2.235 178.142 176.000 -0.154 0.000 0.971 82 Q CA 2.022 57.641 55.803 -0.306 0.000 0.833 82 Q CB -0.073 28.339 28.738 -0.542 0.000 0.896 82 Q HN 0.500 nan 8.270 nan 0.000 0.434 83 T N -4.360 110.123 114.554 -0.117 0.000 3.037 83 T HA 0.253 4.616 4.350 0.022 0.000 0.252 83 T C 1.390 176.067 174.700 -0.038 0.000 1.073 83 T CA 0.978 63.047 62.100 -0.051 0.000 1.091 83 T CB 0.503 69.361 68.868 -0.016 0.000 0.935 83 T HN 0.401 nan 8.240 nan 0.000 0.488 84 G N 0.725 109.496 108.800 -0.048 0.000 2.179 84 G HA2 -0.223 3.750 3.960 0.022 0.000 0.260 84 G HA3 -0.223 3.750 3.960 0.022 0.000 0.260 84 G C 0.064 174.954 174.900 -0.017 0.000 0.977 84 G CA 0.069 45.150 45.100 -0.032 0.000 0.641 84 G HN 0.735 nan 8.290 nan 0.000 0.533 85 V N 1.482 121.391 119.914 -0.009 0.000 2.383 85 V HA 0.698 4.831 4.120 0.022 0.000 0.275 85 V C 0.877 176.976 176.094 0.008 0.000 1.036 85 V CA -0.202 62.100 62.300 0.005 0.000 0.889 85 V CB 1.421 33.254 31.823 0.017 0.000 0.985 85 V HN 1.063 nan 8.190 nan 0.000 0.459 86 A N 6.301 129.126 122.820 0.009 0.000 2.395 86 A HA 0.597 4.930 4.320 0.022 0.000 0.286 86 A C -0.094 177.504 177.584 0.023 0.000 1.193 86 A CA -0.174 51.869 52.037 0.010 0.000 0.852 86 A CB -0.127 18.877 19.000 0.006 0.000 1.118 86 A HN 1.106 nan 8.150 nan 0.000 0.524 87 V N 0.867 120.798 119.914 0.028 0.000 3.001 87 V HA 0.937 5.071 4.120 0.022 0.000 0.314 87 V C 0.136 176.251 176.094 0.035 0.000 1.099 87 V CA -0.073 62.252 62.300 0.043 0.000 0.989 87 V CB 1.374 33.236 31.823 0.065 0.000 1.040 87 V HN 1.067 nan 8.190 nan 0.000 0.434 88 T N -0.320 114.259 114.554 0.042 0.000 2.841 88 T HA 0.476 4.839 4.350 0.022 0.000 0.276 88 T C 0.975 175.699 174.700 0.039 0.000 1.003 88 T CA -0.144 61.975 62.100 0.032 0.000 0.995 88 T CB 1.727 70.612 68.868 0.029 0.000 1.260 88 T HN 1.010 nan 8.240 nan 0.000 0.581 89 R N 0.218 120.733 120.500 0.025 0.000 2.200 89 R HA -0.032 4.321 4.340 0.022 0.000 0.234 89 R C 0.896 177.233 176.300 0.062 0.000 1.127 89 R CA 1.686 57.801 56.100 0.025 0.000 0.989 89 R CB -0.737 29.567 30.300 0.007 0.000 0.869 89 R HN 0.532 nan 8.270 nan 0.000 0.459 90 D N 0.557 120.999 120.400 0.069 0.000 2.347 90 D HA -0.048 4.605 4.640 0.022 0.000 0.215 90 D C 0.618 176.992 176.300 0.124 0.000 0.976 90 D CA 0.610 54.666 54.000 0.092 0.000 0.884 90 D CB -0.076 40.769 40.800 0.075 0.000 0.915 90 D HN 0.408 nan 8.370 nan 0.000 0.526 91 N N 0.098 118.869 118.700 0.120 0.000 2.280 91 N HA 0.042 4.795 4.740 0.022 0.000 0.192 91 N C 0.036 175.644 175.510 0.163 0.000 1.109 91 N CA 0.040 53.184 53.050 0.158 0.000 0.855 91 N CB 1.293 39.861 38.487 0.134 0.000 0.974 91 N HN 0.128 nan 8.380 nan 0.000 0.482 92 L N 0.312 121.602 121.223 0.112 0.000 2.322 92 L HA 0.431 4.784 4.340 0.022 0.000 0.281 92 L C -0.865 176.024 176.870 0.032 0.000 1.014 92 L CA -0.405 54.473 54.840 0.062 0.000 0.815 92 L CB 2.140 44.221 42.059 0.036 0.000 1.247 92 L HN 0.051 nan 8.230 nan 0.000 0.421 93 W N 4.432 125.483 121.300 -0.416 0.000 2.957 93 W HA 0.781 5.456 4.660 0.024 0.000 0.336 93 W C -1.501 174.863 176.519 -0.259 0.000 1.087 93 W CA -0.908 56.146 57.345 -0.485 0.000 1.235 93 W CB 2.113 30.962 29.460 -1.020 0.000 1.399 93 W HN 0.573 nan 8.180 nan 0.000 0.480 94 A N 3.430 125.730 122.820 -0.867 0.000 2.350 94 A HA 0.943 5.276 4.320 0.022 0.000 0.324 94 A C -1.223 176.073 177.584 -0.482 0.000 1.118 94 A CA -0.281 51.464 52.037 -0.488 0.000 0.783 94 A CB 1.514 20.270 19.000 -0.408 0.000 1.236 94 A HN 1.009 nan 8.150 nan 0.000 0.457 95 A N 0.864 123.622 122.820 -0.102 0.000 2.552 95 A HA 0.631 4.964 4.320 0.022 0.000 0.288 95 A C 0.457 178.084 177.584 0.071 0.000 1.193 95 A CA -0.616 51.477 52.037 0.095 0.000 0.713 95 A CB 0.436 19.582 19.000 0.245 0.000 1.305 95 A HN 0.671 nan 8.150 nan 0.000 0.424 96 N N -0.215 118.552 118.700 0.112 0.000 2.364 96 N HA 0.061 4.814 4.740 0.022 0.000 0.183 96 N C 0.668 176.222 175.510 0.075 0.000 1.022 96 N CA 1.675 54.767 53.050 0.069 0.000 0.883 96 N CB 0.166 38.698 38.487 0.074 0.000 0.965 96 N HN 0.966 nan 8.380 nan 0.000 0.438 97 G N -1.913 106.947 108.800 0.100 0.000 2.495 97 G HA2 0.214 4.188 3.960 0.022 0.000 0.294 97 G HA3 0.214 4.188 3.960 0.022 0.000 0.294 97 G C 0.151 175.123 174.900 0.121 0.000 1.397 97 G CA -0.353 44.805 45.100 0.096 0.000 0.790 97 G HN -0.082 nan 8.290 nan 0.000 0.486 98 S N -0.652 115.113 115.700 0.109 0.000 2.368 98 S HA -0.127 4.357 4.470 0.022 0.000 0.225 98 S C 2.127 176.815 174.600 0.147 0.000 1.030 98 S CA 1.821 60.096 58.200 0.125 0.000 0.999 98 S CB -0.409 62.849 63.200 0.098 0.000 0.844 98 S HN 0.596 nan 8.310 nan 0.000 0.459 99 N N 0.618 119.390 118.700 0.120 0.000 2.104 99 N HA -0.161 4.592 4.740 0.022 0.000 0.190 99 N C 1.905 177.499 175.510 0.140 0.000 1.024 99 N CA 1.208 54.329 53.050 0.118 0.000 0.853 99 N CB -0.093 38.429 38.487 0.059 0.000 1.008 99 N HN 0.476 nan 8.380 nan 0.000 0.424 100 E N 0.699 120.982 120.200 0.140 0.000 2.072 100 E HA -0.137 4.227 4.350 0.022 0.000 0.191 100 E C 1.850 178.582 176.600 0.220 0.000 0.985 100 E CA 0.628 57.126 56.400 0.162 0.000 0.801 100 E CB 0.190 29.988 29.700 0.163 0.000 0.750 100 E HN 0.233 nan 8.360 nan 0.000 0.452 101 I N 1.313 122.037 120.570 0.257 0.000 2.163 101 I HA -0.307 3.876 4.170 0.022 0.000 0.243 101 I C 2.430 178.724 176.117 0.295 0.000 1.085 101 I CA 1.303 62.813 61.300 0.351 0.000 1.347 101 I CB -1.010 37.206 38.000 0.359 0.000 1.044 101 I HN 0.295 nan 8.210 nan 0.000 0.408 102 L N -0.246 121.126 121.223 0.247 0.000 2.056 102 L HA -0.237 4.116 4.340 0.022 0.000 0.207 102 L C 2.654 179.669 176.870 0.241 0.000 1.078 102 L CA 1.216 56.210 54.840 0.256 0.000 0.749 102 L CB -0.677 41.565 42.059 0.305 0.000 0.901 102 L HN 0.333 nan 8.230 nan 0.000 0.433 103 Q N 0.197 120.122 119.800 0.209 0.000 2.030 103 Q HA -0.290 4.064 4.340 0.022 0.000 0.204 103 Q C 2.267 178.362 176.000 0.158 0.000 0.986 103 Q CA 1.991 57.898 55.803 0.174 0.000 0.843 103 Q CB -0.016 28.803 28.738 0.135 0.000 0.904 103 Q HN 0.517 nan 8.270 nan 0.000 0.420 104 Q N -0.089 119.811 119.800 0.167 0.000 2.084 104 Q HA -0.160 4.193 4.340 0.022 0.000 0.202 104 Q C 2.209 178.285 176.000 0.126 0.000 0.978 104 Q CA 1.442 57.327 55.803 0.137 0.000 0.844 104 Q CB -0.067 28.782 28.738 0.185 0.000 0.898 104 Q HN 0.415 nan 8.270 nan 0.000 0.426 105 L N 0.039 121.370 121.223 0.179 0.000 2.056 105 L HA -0.191 4.162 4.340 0.022 0.000 0.207 105 L C 2.243 179.256 176.870 0.238 0.000 1.078 105 L CA 0.879 55.849 54.840 0.218 0.000 0.749 105 L CB -0.320 41.805 42.059 0.109 0.000 0.901 105 L HN 0.250 nan 8.230 nan 0.000 0.433 106 L N -0.803 120.543 121.223 0.205 0.000 2.083 106 L HA -0.238 4.116 4.340 0.022 0.000 0.209 106 L C 2.693 179.644 176.870 0.135 0.000 1.083 106 L CA 1.250 56.218 54.840 0.212 0.000 0.752 106 L CB -0.407 41.811 42.059 0.266 0.000 0.899 106 L HN 0.337 nan 8.230 nan 0.000 0.433 107 Q N -0.542 119.310 119.800 0.087 0.000 2.124 107 Q HA -0.192 4.162 4.340 0.022 0.000 0.202 107 Q C 2.358 178.313 176.000 -0.075 0.000 0.977 107 Q CA 1.667 57.484 55.803 0.023 0.000 0.850 107 Q CB -0.215 28.534 28.738 0.017 0.000 0.901 107 Q HN 0.574 nan 8.270 nan 0.000 0.429 108 A N -0.529 122.186 122.820 -0.175 0.000 1.930 108 A HA -0.031 4.302 4.320 0.022 0.000 0.215 108 A C 1.235 178.405 177.584 -0.691 0.000 1.176 108 A CA 0.918 52.640 52.037 -0.525 0.000 0.632 108 A CB -0.004 18.508 19.000 -0.813 0.000 0.819 108 A HN 0.330 nan 8.150 nan 0.000 0.445 109 F N -1.741 118.223 119.950 0.024 0.000 2.784 109 F HA 0.349 4.889 4.527 0.022 0.000 0.323 109 F C 1.608 177.430 175.800 0.038 0.000 1.085 109 F CA -0.095 57.919 58.000 0.023 0.000 1.196 109 F CB 0.101 39.117 39.000 0.026 0.000 1.053 109 F HN 0.266 nan 8.300 nan 0.000 0.578 110 G N -0.700 108.214 108.800 0.189 0.000 3.310 110 G HA2 0.573 4.546 3.960 0.022 0.000 0.176 110 G HA3 0.573 4.546 3.960 0.022 0.000 0.176 110 G C 0.366 175.339 174.900 0.121 0.000 1.307 110 G CA -0.054 45.149 45.100 0.171 0.000 0.935 110 G HN 0.536 nan 8.290 nan 0.000 0.628 111 G N -0.957 107.923 108.800 0.134 0.000 2.627 111 G HA2 0.021 3.995 3.960 0.022 0.000 0.214 111 G HA3 0.021 3.995 3.960 0.022 0.000 0.214 111 G C -3.010 171.950 174.900 0.101 0.000 1.331 111 G CA -0.334 44.833 45.100 0.111 0.000 0.891 111 G HN 0.665 nan 8.290 nan 0.000 0.539 112 P HA 0.327 nan 4.420 nan 0.000 0.261 112 P C 1.060 178.386 177.300 0.042 0.000 1.183 112 P CA 2.398 65.529 63.100 0.052 0.000 0.761 112 P CB 0.406 32.104 31.700 -0.005 0.000 0.785 113 G N 2.219 111.046 108.800 0.045 0.000 2.184 113 G HA2 -0.268 3.705 3.960 0.022 0.000 0.264 113 G HA3 -0.268 3.705 3.960 0.022 0.000 0.264 113 G C 0.223 175.153 174.900 0.050 0.000 0.975 113 G CA -0.187 44.936 45.100 0.038 0.000 0.642 113 G HN 0.578 nan 8.290 nan 0.000 0.536 114 R N -0.336 120.206 120.500 0.070 0.000 2.888 114 R HA 0.749 5.102 4.340 0.022 0.000 0.266 114 R C -0.111 176.253 176.300 0.107 0.000 1.020 114 R CA -0.036 56.114 56.100 0.084 0.000 0.963 114 R CB 1.737 32.093 30.300 0.094 0.000 1.197 114 R HN 0.383 nan 8.270 nan 0.000 0.481 115 T N -2.087 112.533 114.554 0.109 0.000 2.906 115 T HA 0.793 5.156 4.350 0.022 0.000 0.295 115 T C -0.990 173.789 174.700 0.132 0.000 1.061 115 T CA -0.910 61.268 62.100 0.129 0.000 1.000 115 T CB 2.090 71.009 68.868 0.084 0.000 1.103 115 T HN 0.627 nan 8.240 nan 0.000 0.486 116 A N 2.263 125.179 122.820 0.160 0.000 2.356 116 A HA 0.795 5.129 4.320 0.022 0.000 0.310 116 A C -0.933 176.624 177.584 -0.044 0.000 1.075 116 A CA -0.932 51.148 52.037 0.072 0.000 0.746 116 A CB 1.270 20.314 19.000 0.073 0.000 1.221 116 A HN 1.136 nan 8.150 nan 0.000 0.443 117 L N 2.617 123.793 121.223 -0.078 0.000 2.329 117 L HA 0.897 5.251 4.340 0.022 0.000 0.279 117 L C 0.149 176.810 176.870 -0.349 0.000 1.014 117 L CA -0.135 54.581 54.840 -0.206 0.000 0.814 117 L CB 1.848 43.798 42.059 -0.182 0.000 1.257 117 L HN 0.853 nan 8.230 nan 0.000 0.424 118 G N 2.619 111.099 108.800 -0.534 0.000 2.725 118 G HA2 0.614 4.587 3.960 0.022 0.000 0.288 118 G HA3 0.614 4.587 3.960 0.022 0.000 0.288 118 G C -1.934 172.471 174.900 -0.826 0.000 1.399 118 G CA -0.552 44.159 45.100 -0.647 0.000 0.859 118 G HN 0.370 nan 8.290 nan 0.000 0.479 119 F N 0.785 120.709 119.950 -0.044 0.000 2.427 119 F HA 0.455 4.995 4.527 0.022 0.000 0.348 119 F C 0.317 176.087 175.800 -0.051 0.000 1.125 119 F CA -0.869 57.110 58.000 -0.035 0.000 0.989 119 F CB 2.139 41.130 39.000 -0.015 0.000 1.165 119 F HN 0.020 nan 8.300 nan 0.000 0.442 120 Q N 4.631 124.471 119.800 0.067 0.000 2.222 120 Q HA 0.399 4.752 4.340 0.022 0.000 0.252 120 Q C -2.544 173.479 176.000 0.038 0.000 0.926 120 Q CA -2.109 53.694 55.803 -0.001 0.000 0.899 120 Q CB 1.890 30.601 28.738 -0.045 0.000 1.250 120 Q HN 0.254 nan 8.270 nan 0.000 0.441 121 P HA 0.195 nan 4.420 nan 0.000 0.286 121 P C -0.833 176.384 177.300 -0.139 0.000 1.269 121 P CA -0.239 62.803 63.100 -0.097 0.000 0.787 121 P CB 1.325 32.949 31.700 -0.126 0.000 0.920 122 S N 2.294 117.877 115.700 -0.195 0.000 2.546 122 S HA 0.441 4.924 4.470 0.022 0.000 0.274 122 S C -0.386 174.069 174.600 -0.242 0.000 1.121 122 S CA -0.417 57.691 58.200 -0.153 0.000 0.887 122 S CB 0.763 63.927 63.200 -0.060 0.000 1.094 122 S HN 0.255 nan 8.310 nan 0.000 0.474 123 Y N 2.046 122.314 120.300 -0.054 0.000 2.482 123 Y HA 0.225 4.789 4.550 0.023 0.000 0.270 123 Y C 2.393 178.286 175.900 -0.012 0.000 1.152 123 Y CA 0.443 58.522 58.100 -0.036 0.000 1.292 123 Y CB 0.260 38.711 38.460 -0.015 0.000 1.070 123 Y HN 0.617 nan 8.280 nan 0.000 0.528 124 S N -0.257 115.491 115.700 0.080 0.000 2.387 124 S HA -0.083 4.400 4.470 0.022 0.000 0.226 124 S C 1.089 175.587 174.600 -0.170 0.000 1.026 124 S CA 0.898 59.107 58.200 0.016 0.000 0.972 124 S CB -0.195 63.020 63.200 0.025 0.000 0.814 124 S HN 0.304 nan 8.310 nan 0.000 0.477 125 M N 2.676 122.057 119.600 -0.365 0.000 3.396 125 M HA 0.144 4.637 4.480 0.022 0.000 0.255 125 M C -0.117 176.208 176.300 0.042 0.000 1.398 125 M CA -0.060 54.966 55.300 -0.456 0.000 1.554 125 M CB -0.133 31.907 32.600 -0.934 0.000 1.070 125 M HN 0.203 nan 8.290 nan 0.000 0.587 126 H N 3.630 122.754 119.070 0.088 0.000 2.964 126 H HA 0.049 4.618 4.556 0.022 0.000 0.328 126 H C -1.738 173.686 175.328 0.161 0.000 1.030 126 H CA -0.688 55.434 56.048 0.124 0.000 1.445 126 H CB 1.101 30.923 29.762 0.101 0.000 1.449 126 H HN 0.309 nan 8.280 nan 0.000 0.581 127 P HA -0.150 nan 4.420 nan 0.000 0.217 127 P C 1.737 179.040 177.300 0.005 0.000 1.148 127 P CA 1.101 64.171 63.100 -0.049 0.000 0.828 127 P CB 0.172 31.798 31.700 -0.124 0.000 0.783 128 I N -1.465 119.293 120.570 0.314 0.000 2.361 128 I HA -0.221 3.962 4.170 0.022 0.000 0.251 128 I C 2.265 178.391 176.117 0.015 0.000 1.133 128 I CA 1.117 62.490 61.300 0.122 0.000 1.413 128 I CB -0.520 37.526 38.000 0.076 0.000 1.073 128 I HN -0.075 nan 8.210 nan 0.000 0.424 129 L N 0.439 121.715 121.223 0.088 0.000 2.017 129 L HA -0.211 4.142 4.340 0.022 0.000 0.208 129 L C 2.896 179.700 176.870 -0.110 0.000 1.073 129 L CA 1.426 56.321 54.840 0.093 0.000 0.745 129 L CB -0.733 41.520 42.059 0.324 0.000 0.894 129 L HN 0.234 nan 8.230 nan 0.000 0.432 130 A N 0.210 122.681 122.820 -0.581 0.000 1.883 130 A HA -0.225 4.109 4.320 0.022 0.000 0.217 130 A C 2.337 179.637 177.584 -0.473 0.000 1.186 130 A CA 1.808 53.282 52.037 -0.940 0.000 0.624 130 A CB -0.363 17.693 19.000 -1.574 0.000 0.822 130 A HN 0.335 nan 8.150 nan 0.000 0.444 131 K N -1.014 119.161 120.400 -0.375 0.000 2.057 131 K HA -0.068 4.265 4.320 0.022 0.000 0.206 131 K C 2.150 178.512 176.600 -0.398 0.000 1.050 131 K CA 1.187 57.260 56.287 -0.358 0.000 0.935 131 K CB -0.563 31.802 32.500 -0.225 0.000 0.715 131 K HN 0.455 nan 8.250 nan 0.000 0.439 132 G N 1.460 110.131 108.800 -0.215 0.000 2.422 132 G HA2 -0.218 3.756 3.960 0.022 0.000 0.218 132 G HA3 -0.218 3.756 3.960 0.022 0.000 0.218 132 G C 1.592 176.455 174.900 -0.062 0.000 1.140 132 G CA 1.460 46.489 45.100 -0.119 0.000 0.775 132 G HN 0.460 nan 8.290 nan 0.000 0.545 133 T N -3.991 110.524 114.554 -0.064 0.000 3.022 133 T HA 0.122 4.485 4.350 0.022 0.000 0.250 133 T C 1.035 175.807 174.700 0.119 0.000 1.060 133 T CA 0.508 62.642 62.100 0.057 0.000 1.013 133 T CB -0.263 68.661 68.868 0.094 0.000 0.982 133 T HN 0.473 nan 8.240 nan 0.000 0.508 134 H N 1.046 120.098 119.070 -0.029 0.000 2.839 134 H HA -0.112 4.458 4.556 0.022 0.000 0.298 134 H C -0.743 174.578 175.328 -0.011 0.000 1.224 134 H CA 1.099 57.127 56.048 -0.033 0.000 1.144 134 H CB -2.358 27.395 29.762 -0.015 0.000 1.372 134 H HN 0.457 nan 8.280 nan 0.000 0.408 135 T N 0.915 115.488 114.554 0.033 0.000 2.837 135 T HA 0.265 4.628 4.350 0.022 0.000 0.285 135 T C 0.603 175.316 174.700 0.021 0.000 0.984 135 T CA -0.693 61.471 62.100 0.107 0.000 1.049 135 T CB 2.522 71.553 68.868 0.273 0.000 0.947 135 T HN 0.297 nan 8.240 nan 0.000 0.472 136 E N 2.842 123.107 120.200 0.108 0.000 2.259 136 E HA 0.222 4.585 4.350 0.022 0.000 0.281 136 E C -0.952 175.832 176.600 0.306 0.000 1.037 136 E CA -0.536 55.923 56.400 0.098 0.000 0.854 136 E CB 0.346 30.093 29.700 0.078 0.000 1.051 136 E HN 0.288 nan 8.360 nan 0.000 0.409 137 F N 4.693 124.631 119.950 -0.021 0.000 2.404 137 F HA 0.409 4.950 4.527 0.022 0.000 0.345 137 F C 0.424 176.190 175.800 -0.058 0.000 1.110 137 F CA -1.190 56.783 58.000 -0.046 0.000 1.130 137 F CB 0.698 39.650 39.000 -0.081 0.000 1.129 137 F HN 0.363 nan 8.300 nan 0.000 0.500 138 I N 2.641 123.259 120.570 0.080 0.000 2.441 138 I HA 0.637 4.820 4.170 0.022 0.000 0.295 138 I C -0.322 175.738 176.117 -0.096 0.000 0.994 138 I CA -0.880 60.415 61.300 -0.008 0.000 1.144 138 I CB 1.835 39.816 38.000 -0.032 0.000 1.314 138 I HN 0.613 nan 8.210 nan 0.000 0.445 139 A N 6.003 128.772 122.820 -0.085 0.000 2.342 139 A HA 0.837 5.171 4.320 0.022 0.000 0.323 139 A C -0.959 176.568 177.584 -0.094 0.000 1.125 139 A CA -0.510 51.454 52.037 -0.121 0.000 0.785 139 A CB 1.464 20.416 19.000 -0.080 0.000 1.221 139 A HN 0.428 nan 8.150 nan 0.000 0.463 140 V N 1.455 121.303 119.914 -0.110 0.000 2.540 140 V HA 0.497 4.630 4.120 0.022 0.000 0.302 140 V C 0.590 176.729 176.094 0.074 0.000 1.035 140 V CA -0.653 61.649 62.300 0.005 0.000 0.873 140 V CB 1.770 33.635 31.823 0.071 0.000 0.992 140 V HN 0.944 nan 8.190 nan 0.000 0.428 141 S N 3.932 119.668 115.700 0.061 0.000 2.549 141 S HA 0.412 4.895 4.470 0.022 0.000 0.279 141 S C 0.439 175.085 174.600 0.077 0.000 1.321 141 S CA -0.422 57.808 58.200 0.050 0.000 1.054 141 S CB 0.267 63.471 63.200 0.007 0.000 0.899 141 S HN 0.666 nan 8.310 nan 0.000 0.497 142 R N 1.876 122.415 120.500 0.065 0.000 2.863 142 R HA 0.327 4.680 4.340 0.022 0.000 0.273 142 R C 1.162 177.426 176.300 -0.061 0.000 1.057 142 R CA 0.405 56.517 56.100 0.020 0.000 1.191 142 R CB 0.046 30.372 30.300 0.043 0.000 1.104 142 R HN 0.746 nan 8.270 nan 0.000 0.519 143 G N -0.555 108.197 108.800 -0.080 0.000 2.621 143 G HA2 0.285 4.259 3.960 0.022 0.000 0.271 143 G HA3 0.285 4.259 3.960 0.022 0.000 0.271 143 G C 0.657 175.430 174.900 -0.212 0.000 1.236 143 G CA -0.005 45.030 45.100 -0.108 0.000 0.958 143 G HN 0.664 nan 8.290 nan 0.000 0.512 144 A N -0.311 122.398 122.820 -0.185 0.000 2.131 144 A HA -0.063 4.270 4.320 0.022 0.000 0.220 144 A C 1.782 179.204 177.584 -0.271 0.000 1.158 144 A CA 2.113 54.001 52.037 -0.248 0.000 0.665 144 A CB -0.328 18.601 19.000 -0.118 0.000 0.795 144 A HN 0.628 nan 8.150 nan 0.000 0.460 145 D N -3.093 117.225 120.400 -0.136 0.000 2.340 145 D HA 0.092 4.745 4.640 0.022 0.000 0.220 145 D C 0.301 176.695 176.300 0.158 0.000 1.039 145 D CA -0.225 53.789 54.000 0.023 0.000 0.866 145 D CB -0.727 40.103 40.800 0.050 0.000 0.913 145 D HN 0.341 nan 8.370 nan 0.000 0.523 146 F N -0.670 119.293 119.950 0.023 0.000 2.914 146 F HA -0.273 4.268 4.527 0.023 0.000 0.304 146 F C 0.675 176.467 175.800 -0.014 0.000 0.712 146 F CA 0.394 58.394 58.000 0.001 0.000 1.211 146 F CB -1.807 37.199 39.000 0.009 0.000 1.515 146 F HN -0.002 nan 8.300 nan 0.000 0.350 147 R N 0.320 120.872 120.500 0.086 0.000 2.549 147 R HA 0.657 5.011 4.340 0.022 0.000 0.267 147 R C 0.428 176.713 176.300 -0.025 0.000 1.045 147 R CA -1.124 54.994 56.100 0.031 0.000 1.115 147 R CB 0.973 31.282 30.300 0.015 0.000 1.121 147 R HN 0.079 nan 8.270 nan 0.000 0.543 148 I N 1.661 122.182 120.570 -0.083 0.000 2.598 148 I HA -0.098 4.085 4.170 0.022 0.000 0.284 148 I C 0.432 176.464 176.117 -0.142 0.000 1.140 148 I CA 0.377 61.568 61.300 -0.183 0.000 1.420 148 I CB 0.236 38.005 38.000 -0.385 0.000 1.387 148 I HN 0.408 nan 8.210 nan 0.000 0.553 149 D N 8.043 128.375 120.400 -0.114 0.000 2.380 149 D HA 0.091 4.744 4.640 0.022 0.000 0.230 149 D C 0.793 177.038 176.300 -0.091 0.000 1.154 149 D CA -0.391 53.563 54.000 -0.076 0.000 0.859 149 D CB 1.123 41.898 40.800 -0.042 0.000 1.045 149 D HN 0.388 nan 8.370 nan 0.000 0.495 150 M N 2.451 121.996 119.600 -0.091 0.000 2.229 150 M HA -0.106 4.387 4.480 0.022 0.000 0.264 150 M C 1.043 177.313 176.300 -0.050 0.000 1.063 150 M CA 0.925 56.168 55.300 -0.094 0.000 1.114 150 M CB -0.449 32.102 32.600 -0.082 0.000 1.387 150 M HN 0.390 nan 8.290 nan 0.000 0.420 151 D N 0.132 120.513 120.400 -0.031 0.000 2.084 151 D HA -0.131 4.522 4.640 0.022 0.000 0.194 151 D C 2.157 178.458 176.300 0.002 0.000 0.990 151 D CA 1.108 55.101 54.000 -0.013 0.000 0.826 151 D CB -0.457 40.337 40.800 -0.010 0.000 0.971 151 D HN 0.181 nan 8.370 nan 0.000 0.453 152 V N 0.919 120.836 119.914 0.006 0.000 2.407 152 V HA -0.205 3.928 4.120 0.022 0.000 0.248 152 V C 2.187 178.324 176.094 0.072 0.000 1.055 152 V CA 2.123 64.442 62.300 0.032 0.000 1.049 152 V CB -0.484 31.359 31.823 0.032 0.000 0.662 152 V HN 0.178 nan 8.190 nan 0.000 0.455 153 A N 0.054 122.913 122.820 0.064 0.000 1.851 153 A HA -0.171 4.163 4.320 0.022 0.000 0.216 153 A C 2.137 179.796 177.584 0.125 0.000 1.195 153 A CA 2.284 54.411 52.037 0.150 0.000 0.622 153 A CB -0.737 18.192 19.000 -0.119 0.000 0.831 153 A HN 0.568 nan 8.150 nan 0.000 0.444 154 L N -0.854 120.394 121.223 0.043 0.000 2.056 154 L HA -0.187 4.166 4.340 0.022 0.000 0.207 154 L C 2.652 179.544 176.870 0.037 0.000 1.078 154 L CA 1.662 56.521 54.840 0.033 0.000 0.749 154 L CB -0.628 41.434 42.059 0.004 0.000 0.901 154 L HN 0.542 nan 8.230 nan 0.000 0.433 155 E N 1.112 121.331 120.200 0.033 0.000 2.049 155 E HA -0.307 4.057 4.350 0.022 0.000 0.198 155 E C 1.975 178.596 176.600 0.035 0.000 1.007 155 E CA 1.949 58.366 56.400 0.028 0.000 0.809 155 E CB -0.075 29.639 29.700 0.024 0.000 0.749 155 E HN 0.384 nan 8.360 nan 0.000 0.450 156 E N -0.143 120.088 120.200 0.051 0.000 2.106 156 E HA -0.068 4.296 4.350 0.022 0.000 0.192 156 E C 2.051 178.674 176.600 0.040 0.000 0.984 156 E CA 1.334 57.761 56.400 0.046 0.000 0.806 156 E CB -0.305 29.428 29.700 0.056 0.000 0.750 156 E HN 0.481 nan 8.360 nan 0.000 0.458 157 I N 0.130 120.735 120.570 0.058 0.000 2.179 157 I HA -0.292 3.892 4.170 0.022 0.000 0.242 157 I C 2.522 178.654 176.117 0.026 0.000 1.088 157 I CA 1.275 62.600 61.300 0.042 0.000 1.357 157 I CB -0.280 37.755 38.000 0.058 0.000 1.051 157 I HN 0.066 nan 8.210 nan 0.000 0.409 158 R N 0.727 121.242 120.500 0.025 0.000 2.083 158 R HA -0.178 4.175 4.340 0.022 0.000 0.237 158 R C 2.473 178.783 176.300 0.016 0.000 1.137 158 R CA 1.711 57.822 56.100 0.018 0.000 0.951 158 R CB -0.551 29.759 30.300 0.016 0.000 0.851 158 R HN 0.398 nan 8.270 nan 0.000 0.434 159 A N 1.042 123.872 122.820 0.017 0.000 1.902 159 A HA -0.141 4.192 4.320 0.022 0.000 0.217 159 A C 1.774 179.366 177.584 0.014 0.000 1.181 159 A CA 1.357 53.403 52.037 0.015 0.000 0.623 159 A CB -0.077 18.932 19.000 0.015 0.000 0.818 159 A HN 0.070 nan 8.150 nan 0.000 0.443 160 K N -1.222 119.186 120.400 0.014 0.000 2.334 160 K HA 0.060 4.393 4.320 0.022 0.000 0.195 160 K C -0.165 176.444 176.600 0.014 0.000 1.045 160 K CA 0.194 56.489 56.287 0.013 0.000 1.004 160 K CB 0.217 32.723 32.500 0.009 0.000 0.837 160 K HN 0.456 nan 8.250 nan 0.000 0.510 161 Q N 0.631 120.440 119.800 0.014 0.000 2.439 161 Q HA -0.137 4.216 4.340 0.022 0.000 0.325 161 Q C -2.336 173.674 176.000 0.016 0.000 1.372 161 Q CA 0.528 56.339 55.803 0.014 0.000 0.909 161 Q CB -1.977 26.770 28.738 0.015 0.000 1.167 161 Q HN 0.319 nan 8.270 nan 0.000 0.418 162 P HA 0.052 nan 4.420 nan 0.000 0.271 162 P C 0.492 177.800 177.300 0.015 0.000 1.216 162 P CA -0.060 63.049 63.100 0.014 0.000 0.776 162 P CB 0.697 32.395 31.700 -0.003 0.000 0.881 163 D N 1.605 122.025 120.400 0.033 0.000 2.224 163 D HA 0.017 4.670 4.640 0.022 0.000 0.205 163 D C 0.707 177.015 176.300 0.013 0.000 0.965 163 D CA 1.339 55.364 54.000 0.041 0.000 0.852 163 D CB 0.372 41.219 40.800 0.078 0.000 0.947 163 D HN 0.396 nan 8.370 nan 0.000 0.494 164 I N 0.868 121.438 120.570 0.000 0.000 2.569 164 I HA 0.183 4.366 4.170 0.022 0.000 0.290 164 I C -0.832 175.239 176.117 -0.077 0.000 1.088 164 I CA -0.764 60.493 61.300 -0.072 0.000 1.047 164 I CB 3.078 41.045 38.000 -0.054 0.000 1.237 164 I HN -0.387 nan 8.210 nan 0.000 0.421 165 V N 5.816 125.647 119.914 -0.139 0.000 2.495 165 V HA 0.448 4.582 4.120 0.022 0.000 0.298 165 V C -0.751 175.252 176.094 -0.152 0.000 1.031 165 V CA -0.581 61.671 62.300 -0.080 0.000 0.871 165 V CB 1.857 33.673 31.823 -0.011 0.000 0.988 165 V HN 0.372 nan 8.190 nan 0.000 0.432 166 F N 3.300 123.181 119.950 -0.115 0.000 2.415 166 F HA 0.664 5.204 4.527 0.021 0.000 0.348 166 F C 0.029 175.879 175.800 0.084 0.000 1.119 166 F CA -0.498 57.461 58.000 -0.070 0.000 1.069 166 F CB 1.957 40.868 39.000 -0.148 0.000 1.124 166 F HN 0.164 nan 8.300 nan 0.000 0.472 167 V N 2.872 122.931 119.914 0.241 0.000 2.483 167 V HA 0.370 4.503 4.120 0.022 0.000 0.297 167 V C -0.454 175.752 176.094 0.186 0.000 1.027 167 V CA -0.749 61.696 62.300 0.242 0.000 0.855 167 V CB 1.948 33.845 31.823 0.123 0.000 0.995 167 V HN 0.730 nan 8.190 nan 0.000 0.424 168 T N 3.066 117.741 114.554 0.201 0.000 2.749 168 T HA 0.546 4.910 4.350 0.022 0.000 0.287 168 T C -0.067 174.721 174.700 0.146 0.000 0.970 168 T CA -0.248 61.962 62.100 0.185 0.000 0.980 168 T CB 1.201 70.191 68.868 0.203 0.000 0.924 168 T HN 0.737 nan 8.240 nan 0.000 0.456 169 T N 4.953 119.591 114.554 0.140 0.000 3.293 169 T HA 0.461 4.824 4.350 0.022 0.000 0.320 169 T C -2.945 171.837 174.700 0.137 0.000 0.995 169 T CA -1.681 60.485 62.100 0.110 0.000 1.041 169 T CB 0.963 69.869 68.868 0.064 0.000 1.058 169 T HN 0.159 nan 8.240 nan 0.000 0.453 170 P HA 0.228 nan 4.420 nan 0.000 0.269 170 P C -0.464 176.926 177.300 0.151 0.000 1.209 170 P CA -0.341 62.818 63.100 0.098 0.000 0.776 170 P CB 0.406 32.121 31.700 0.026 0.000 0.876 171 N N 2.192 120.951 118.700 0.098 0.000 2.525 171 N HA 0.129 4.882 4.740 0.022 0.000 0.271 171 N C -0.459 175.164 175.510 0.189 0.000 1.194 171 N CA -0.059 53.068 53.050 0.130 0.000 0.964 171 N CB 0.081 38.608 38.487 0.066 0.000 1.126 171 N HN 0.246 nan 8.380 nan 0.000 0.452 172 N N 2.177 120.991 118.700 0.190 0.000 2.372 172 N HA 0.421 5.174 4.740 0.022 0.000 0.285 172 N C -2.355 173.166 175.510 0.017 0.000 1.008 172 N CA -2.091 51.010 53.050 0.086 0.000 0.880 172 N CB 1.968 40.493 38.487 0.063 0.000 1.239 172 N HN 0.392 nan 8.380 nan 0.000 0.484 173 P HA 0.093 nan 4.420 nan 0.000 0.261 173 P C 0.598 177.634 177.300 -0.439 0.000 1.268 173 P CA 0.391 63.263 63.100 -0.380 0.000 0.833 173 P CB 0.183 31.653 31.700 -0.384 0.000 1.231 174 T N -4.944 109.364 114.554 -0.410 0.000 3.035 174 T HA 0.233 4.596 4.350 0.022 0.000 0.259 174 T C 1.756 176.445 174.700 -0.018 0.000 1.078 174 T CA 1.164 62.986 62.100 -0.463 0.000 1.132 174 T CB -0.922 67.722 68.868 -0.374 0.000 0.900 174 T HN 0.180 nan 8.240 nan 0.000 0.480 175 G N 1.533 110.368 108.800 0.058 0.000 2.225 175 G HA2 -0.282 3.692 3.960 0.022 0.000 0.254 175 G HA3 -0.282 3.692 3.960 0.022 0.000 0.254 175 G C -0.093 174.744 174.900 -0.104 0.000 0.988 175 G CA 0.228 45.218 45.100 -0.184 0.000 0.625 175 G HN 0.905 nan 8.290 nan 0.000 0.527 176 D N 0.930 121.318 120.400 -0.020 0.000 2.455 176 D HA 0.404 5.058 4.640 0.022 0.000 0.241 176 D C 1.059 177.365 176.300 0.010 0.000 1.138 176 D CA 0.501 54.507 54.000 0.009 0.000 0.877 176 D CB 1.088 41.913 40.800 0.040 0.000 1.187 176 D HN 1.015 nan 8.370 nan 0.000 0.451 177 V N 1.154 121.074 119.914 0.010 0.000 2.716 177 V HA 0.676 4.810 4.120 0.022 0.000 0.304 177 V C 0.110 176.209 176.094 0.007 0.000 1.053 177 V CA -0.640 61.670 62.300 0.017 0.000 0.984 177 V CB 1.702 33.536 31.823 0.018 0.000 1.021 177 V HN 0.583 nan 8.190 nan 0.000 0.467 178 T N 2.952 117.507 114.554 0.002 0.000 2.797 178 T HA 0.517 4.880 4.350 0.022 0.000 0.279 178 T C 0.251 174.942 174.700 -0.014 0.000 0.991 178 T CA -0.081 62.007 62.100 -0.021 0.000 0.979 178 T CB 1.246 70.087 68.868 -0.045 0.000 0.943 178 T HN 1.263 nan 8.240 nan 0.000 0.444 179 S N 3.005 118.694 115.700 -0.018 0.000 2.576 179 S HA 0.185 4.668 4.470 0.022 0.000 0.272 179 S C 1.485 176.078 174.600 -0.012 0.000 1.352 179 S CA -0.716 57.478 58.200 -0.010 0.000 1.021 179 S CB 0.220 63.414 63.200 -0.010 0.000 0.887 179 S HN 0.623 nan 8.310 nan 0.000 0.542 180 L N 0.412 121.634 121.223 -0.001 0.000 2.141 180 L HA -0.081 4.272 4.340 0.022 0.000 0.209 180 L C 2.054 178.925 176.870 0.002 0.000 1.094 180 L CA 1.138 55.980 54.840 0.003 0.000 0.763 180 L CB -0.714 41.356 42.059 0.018 0.000 0.908 180 L HN 0.653 nan 8.230 nan 0.000 0.437 181 D N 0.291 120.692 120.400 0.002 0.000 2.104 181 D HA -0.194 4.459 4.640 0.022 0.000 0.194 181 D C 1.810 178.099 176.300 -0.018 0.000 0.994 181 D CA 1.268 55.268 54.000 0.001 0.000 0.830 181 D CB -0.124 40.676 40.800 0.000 0.000 0.959 181 D HN 0.239 nan 8.370 nan 0.000 0.452 182 D N -0.243 120.138 120.400 -0.033 0.000 2.144 182 D HA -0.082 4.571 4.640 0.022 0.000 0.200 182 D C 2.281 178.535 176.300 -0.075 0.000 0.978 182 D CA 0.304 54.269 54.000 -0.058 0.000 0.833 182 D CB -0.162 40.595 40.800 -0.071 0.000 0.961 182 D HN 0.063 nan 8.370 nan 0.000 0.470 183 V N 1.379 121.253 119.914 -0.067 0.000 2.287 183 V HA -0.233 3.900 4.120 0.022 0.000 0.248 183 V C 2.342 178.365 176.094 -0.118 0.000 1.053 183 V CA 1.644 63.895 62.300 -0.083 0.000 1.027 183 V CB -0.414 31.373 31.823 -0.061 0.000 0.646 183 V HN 0.207 nan 8.190 nan 0.000 0.447 184 E N -0.294 119.850 120.200 -0.094 0.000 2.118 184 E HA -0.247 4.116 4.350 0.022 0.000 0.195 184 E C 2.473 178.995 176.600 -0.129 0.000 0.992 184 E CA 1.226 57.546 56.400 -0.133 0.000 0.804 184 E CB -0.168 29.547 29.700 0.025 0.000 0.741 184 E HN 0.541 nan 8.360 nan 0.000 0.458 185 R N 0.346 120.803 120.500 -0.073 0.000 2.083 185 R HA -0.130 4.223 4.340 0.022 0.000 0.237 185 R C 2.420 178.675 176.300 -0.075 0.000 1.137 185 R CA 1.220 57.286 56.100 -0.057 0.000 0.951 185 R CB -0.312 29.961 30.300 -0.045 0.000 0.851 185 R HN 0.184 nan 8.270 nan 0.000 0.434 186 I N 0.564 121.080 120.570 -0.090 0.000 2.226 186 I HA -0.299 3.885 4.170 0.022 0.000 0.245 186 I C 2.227 178.280 176.117 -0.107 0.000 1.100 186 I CA 1.381 62.638 61.300 -0.072 0.000 1.374 186 I CB -0.221 37.745 38.000 -0.058 0.000 1.057 186 I HN 0.148 nan 8.210 nan 0.000 0.413 187 I N 0.716 121.164 120.570 -0.202 0.000 2.179 187 I HA -0.325 3.858 4.170 0.022 0.000 0.242 187 I C 1.998 177.974 176.117 -0.234 0.000 1.088 187 I CA 1.911 63.027 61.300 -0.306 0.000 1.357 187 I CB -0.602 37.007 38.000 -0.652 0.000 1.051 187 I HN 0.296 nan 8.210 nan 0.000 0.409 188 N N 0.182 118.767 118.700 -0.191 0.000 2.223 188 N HA -0.152 4.601 4.740 0.022 0.000 0.185 188 N C 1.782 177.273 175.510 -0.031 0.000 1.016 188 N CA 1.513 54.524 53.050 -0.065 0.000 0.863 188 N CB -0.012 38.473 38.487 -0.003 0.000 0.983 188 N HN 0.345 nan 8.380 nan 0.000 0.429 189 V N -1.933 117.960 119.914 -0.036 0.000 2.788 189 V HA 0.295 4.428 4.120 0.022 0.000 0.251 189 V C 0.899 176.984 176.094 -0.015 0.000 1.068 189 V CA 0.108 62.399 62.300 -0.015 0.000 1.090 189 V CB -0.917 30.904 31.823 -0.004 0.000 0.710 189 V HN 0.127 nan 8.190 nan 0.000 0.467 190 A N 2.866 125.665 122.820 -0.034 0.000 2.522 190 A HA 0.430 4.763 4.320 0.022 0.000 0.256 190 A C -0.646 176.921 177.584 -0.029 0.000 1.086 190 A CA -0.311 51.706 52.037 -0.034 0.000 0.763 190 A CB -0.135 18.829 19.000 -0.061 0.000 1.024 190 A HN 0.502 nan 8.150 nan 0.000 0.502 191 P HA 0.059 nan 4.420 nan 0.000 0.230 191 P C 1.104 178.399 177.300 -0.008 0.000 1.168 191 P CA 1.397 64.493 63.100 -0.005 0.000 0.793 191 P CB 0.468 32.171 31.700 0.004 0.000 0.851 192 G N 0.935 109.722 108.800 -0.022 0.000 2.754 192 G HA2 0.491 4.464 3.960 0.022 0.000 0.210 192 G HA3 0.491 4.464 3.960 0.022 0.000 0.210 192 G C 0.196 175.052 174.900 -0.074 0.000 2.092 192 G CA -0.126 44.959 45.100 -0.026 0.000 0.766 192 G HN 0.280 nan 8.290 nan 0.000 0.745 193 I N -1.875 118.617 120.570 -0.130 0.000 2.957 193 I HA 0.805 4.989 4.170 0.022 0.000 0.310 193 I C -1.379 174.598 176.117 -0.233 0.000 1.063 193 I CA -1.207 59.966 61.300 -0.211 0.000 1.033 193 I CB 2.611 40.387 38.000 -0.373 0.000 1.230 193 I HN 0.129 nan 8.210 nan 0.000 0.447 194 V N 4.830 124.577 119.914 -0.279 0.000 2.531 194 V HA 0.464 4.598 4.120 0.022 0.000 0.301 194 V C -0.211 175.661 176.094 -0.370 0.000 1.034 194 V CA -0.348 61.784 62.300 -0.280 0.000 0.865 194 V CB 1.685 33.383 31.823 -0.208 0.000 0.995 194 V HN 0.534 nan 8.190 nan 0.000 0.424 195 I N 5.019 125.314 120.570 -0.458 0.000 2.312 195 I HA 0.386 4.569 4.170 0.022 0.000 0.290 195 I C -0.398 175.545 176.117 -0.289 0.000 1.008 195 I CA -0.652 60.358 61.300 -0.484 0.000 1.226 195 I CB 1.767 39.299 38.000 -0.780 0.000 1.371 195 I HN 0.277 nan 8.210 nan 0.000 0.468 196 V N 5.369 125.174 119.914 -0.182 0.000 2.364 196 V HA 0.160 4.293 4.120 0.022 0.000 0.272 196 V C -0.117 175.966 176.094 -0.020 0.000 1.036 196 V CA -0.402 61.858 62.300 -0.067 0.000 0.880 196 V CB 1.470 33.259 31.823 -0.056 0.000 0.991 196 V HN 0.604 nan 8.190 nan 0.000 0.460 197 D N 4.264 124.702 120.400 0.062 0.000 2.396 197 D HA 0.201 4.854 4.640 0.022 0.000 0.225 197 D C 0.384 176.751 176.300 0.111 0.000 1.121 197 D CA -0.203 53.859 54.000 0.103 0.000 0.853 197 D CB 0.977 41.896 40.800 0.198 0.000 1.043 197 D HN 0.623 nan 8.370 nan 0.000 0.500 198 E N 2.586 122.826 120.200 0.067 0.000 2.542 198 E HA 0.217 4.581 4.350 0.022 0.000 0.224 198 E C 1.145 177.785 176.600 0.066 0.000 1.110 198 E CA -0.395 56.054 56.400 0.082 0.000 1.350 198 E CB 0.687 30.418 29.700 0.051 0.000 1.302 198 E HN 0.551 nan 8.360 nan 0.000 0.435 199 A N 0.113 122.962 122.820 0.048 0.000 1.917 199 A HA -0.206 4.127 4.320 0.022 0.000 0.219 199 A C 1.220 178.689 177.584 -0.191 0.000 1.182 199 A CA 1.398 53.364 52.037 -0.119 0.000 0.633 199 A CB -0.350 18.512 19.000 -0.231 0.000 0.819 199 A HN 0.394 nan 8.150 nan 0.000 0.448 200 Y N -1.028 119.413 120.300 0.235 0.000 2.524 200 Y HA 0.443 5.006 4.550 0.022 0.000 0.266 200 Y C 2.255 178.334 175.900 0.298 0.000 1.180 200 Y CA -0.212 58.084 58.100 0.327 0.000 1.244 200 Y CB -0.303 38.311 38.460 0.256 0.000 1.125 200 Y HN 0.313 nan 8.280 nan 0.000 0.524 201 A N 0.066 123.041 122.820 0.259 0.000 1.972 201 A HA -0.205 4.129 4.320 0.022 0.000 0.219 201 A C 1.959 179.612 177.584 0.114 0.000 1.169 201 A CA 1.688 53.828 52.037 0.170 0.000 0.635 201 A CB -0.271 18.797 19.000 0.114 0.000 0.810 201 A HN 0.352 nan 8.150 nan 0.000 0.446 202 E N -0.620 119.601 120.200 0.035 0.000 2.171 202 E HA -0.180 4.183 4.350 0.022 0.000 0.197 202 E C 1.085 177.535 176.600 -0.249 0.000 0.997 202 E CA 1.435 57.735 56.400 -0.167 0.000 0.810 202 E CB -0.402 29.073 29.700 -0.376 0.000 0.738 202 E HN 0.762 nan 8.360 nan 0.000 0.467 203 F N -0.582 119.412 119.950 0.074 0.000 2.797 203 F HA 0.183 4.724 4.527 0.024 0.000 0.302 203 F C 0.955 176.763 175.800 0.013 0.000 1.130 203 F CA -0.004 58.019 58.000 0.038 0.000 1.387 203 F CB 0.315 39.337 39.000 0.036 0.000 1.107 203 F HN -0.223 nan 8.300 nan 0.000 0.577 204 S N 1.257 117.048 115.700 0.152 0.000 2.475 204 S HA 0.343 4.826 4.470 0.022 0.000 0.298 204 S C -1.407 173.224 174.600 0.051 0.000 1.119 204 S CA -1.526 56.729 58.200 0.092 0.000 1.085 204 S CB 1.251 64.503 63.200 0.087 0.000 1.028 204 S HN -0.090 nan 8.310 nan 0.000 0.489 205 P HA 0.121 nan 4.420 nan 0.000 0.236 205 P C -0.046 177.264 177.300 0.017 0.000 1.177 205 P CA 0.056 63.168 63.100 0.021 0.000 0.773 205 P CB 0.015 31.726 31.700 0.019 0.000 0.878 206 S N 2.171 117.885 115.700 0.023 0.000 2.592 206 S HA 0.353 4.836 4.470 0.022 0.000 0.271 206 S C -2.028 172.583 174.600 0.018 0.000 1.326 206 S CA -0.866 57.346 58.200 0.019 0.000 1.024 206 S CB -0.269 62.944 63.200 0.022 0.000 0.921 206 S HN 0.156 nan 8.310 nan 0.000 0.527 207 P HA 0.157 nan 4.420 nan 0.000 0.272 207 P C -0.432 176.880 177.300 0.019 0.000 1.230 207 P CA -0.364 62.743 63.100 0.013 0.000 0.788 207 P CB 0.435 32.141 31.700 0.011 0.000 0.949 208 S N 0.429 116.140 115.700 0.018 0.000 2.586 208 S HA 0.405 4.888 4.470 0.022 0.000 0.274 208 S C 1.368 175.982 174.600 0.024 0.000 1.281 208 S CA -0.124 58.091 58.200 0.024 0.000 1.035 208 S CB 0.344 63.560 63.200 0.026 0.000 0.962 208 S HN 0.475 nan 8.310 nan 0.000 0.512 209 A N 3.174 126.007 122.820 0.022 0.000 2.225 209 A HA 0.003 4.337 4.320 0.022 0.000 0.215 209 A C 2.100 179.699 177.584 0.026 0.000 1.164 209 A CA 1.669 53.718 52.037 0.019 0.000 0.710 209 A CB -1.445 17.555 19.000 -0.000 0.000 0.780 209 A HN 1.109 nan 8.150 nan 0.000 0.473 210 T N -1.966 112.605 114.554 0.029 0.000 2.881 210 T HA -0.203 4.160 4.350 0.022 0.000 0.270 210 T C 1.800 176.523 174.700 0.038 0.000 1.068 210 T CA 2.013 64.136 62.100 0.038 0.000 1.131 210 T CB -1.364 67.531 68.868 0.046 0.000 0.871 210 T HN 0.668 nan 8.240 nan 0.000 0.479 211 T N 0.857 115.431 114.554 0.033 0.000 2.929 211 T HA 0.081 4.444 4.350 0.022 0.000 0.271 211 T C 1.747 176.473 174.700 0.044 0.000 1.085 211 T CA 0.752 62.871 62.100 0.031 0.000 1.125 211 T CB -0.687 68.195 68.868 0.025 0.000 0.874 211 T HN 0.463 nan 8.240 nan 0.000 0.494 212 L N -0.197 121.068 121.223 0.069 0.000 2.592 212 L HA 0.349 4.702 4.340 0.022 0.000 0.227 212 L C 2.254 179.206 176.870 0.137 0.000 1.127 212 L CA -0.053 54.864 54.840 0.129 0.000 0.884 212 L CB -0.390 41.787 42.059 0.197 0.000 1.065 212 L HN 0.219 nan 8.230 nan 0.000 0.457 213 L N 0.031 121.303 121.223 0.082 0.000 2.017 213 L HA -0.224 4.129 4.340 0.022 0.000 0.208 213 L C 2.590 179.494 176.870 0.058 0.000 1.073 213 L CA 1.261 56.147 54.840 0.076 0.000 0.745 213 L CB -0.248 41.848 42.059 0.062 0.000 0.894 213 L HN 0.252 nan 8.230 nan 0.000 0.432 214 E N 0.544 120.758 120.200 0.023 0.000 2.085 214 E HA -0.284 4.079 4.350 0.022 0.000 0.194 214 E C 2.131 178.691 176.600 -0.066 0.000 0.994 214 E CA 1.561 57.956 56.400 -0.008 0.000 0.801 214 E CB -0.009 29.681 29.700 -0.017 0.000 0.743 214 E HN 0.212 nan 8.360 nan 0.000 0.453 215 K N -1.388 118.925 120.400 -0.145 0.000 2.167 215 K HA -0.074 4.260 4.320 0.022 0.000 0.203 215 K C -0.095 176.184 176.600 -0.535 0.000 1.052 215 K CA 0.761 56.810 56.287 -0.397 0.000 0.956 215 K CB 0.156 32.289 32.500 -0.612 0.000 0.735 215 K HN 0.155 nan 8.250 nan 0.000 0.451 216 Y N 0.246 120.551 120.300 0.007 0.000 2.495 216 Y HA 0.252 4.815 4.550 0.022 0.000 0.362 216 Y C -2.049 173.868 175.900 0.028 0.000 0.956 216 Y CA -2.374 55.730 58.100 0.007 0.000 1.127 216 Y CB 1.175 39.628 38.460 -0.012 0.000 1.173 216 Y HN 0.109 nan 8.280 nan 0.000 0.639 217 P HA -0.144 nan 4.420 nan 0.000 0.218 217 P C 1.388 178.827 177.300 0.233 0.000 1.149 217 P CA 1.694 64.888 63.100 0.156 0.000 0.817 217 P CB 0.143 31.900 31.700 0.095 0.000 0.785 218 T N -4.491 110.166 114.554 0.171 0.000 3.100 218 T HA 0.187 4.551 4.350 0.022 0.000 0.253 218 T C 1.594 176.407 174.700 0.187 0.000 1.118 218 T CA 0.432 62.611 62.100 0.131 0.000 1.058 218 T CB -0.144 68.753 68.868 0.048 0.000 0.953 218 T HN 0.130 nan 8.240 nan 0.000 0.515 219 K N -0.628 119.880 120.400 0.180 0.000 2.424 219 K HA 0.362 4.695 4.320 0.022 0.000 0.200 219 K C -0.157 176.377 176.600 -0.111 0.000 1.279 219 K CA -0.317 55.997 56.287 0.045 0.000 0.918 219 K CB 0.403 32.901 32.500 -0.004 0.000 1.287 219 K HN 0.200 nan 8.250 nan 0.000 0.502 220 L N 2.095 123.246 121.223 -0.120 0.000 2.289 220 L HA 0.320 4.673 4.340 0.022 0.000 0.285 220 L C -1.062 175.513 176.870 -0.492 0.000 1.049 220 L CA -0.408 54.284 54.840 -0.247 0.000 0.804 220 L CB 1.583 43.589 42.059 -0.088 0.000 1.195 220 L HN -0.251 nan 8.230 nan 0.000 0.428 221 V N 5.762 125.338 119.914 -0.562 0.000 2.531 221 V HA 0.447 4.580 4.120 0.022 0.000 0.301 221 V C -0.518 175.383 176.094 -0.322 0.000 1.034 221 V CA -0.778 61.157 62.300 -0.608 0.000 0.865 221 V CB 1.912 33.170 31.823 -0.941 0.000 0.995 221 V HN 0.484 nan 8.190 nan 0.000 0.424 222 V N 3.650 123.470 119.914 -0.157 0.000 2.350 222 V HA 0.434 4.567 4.120 0.022 0.000 0.276 222 V C 0.437 176.519 176.094 -0.019 0.000 1.028 222 V CA -0.075 62.184 62.300 -0.070 0.000 0.860 222 V CB 1.558 33.371 31.823 -0.016 0.000 0.990 222 V HN 0.879 nan 8.190 nan 0.000 0.453 223 S N 6.359 122.033 115.700 -0.042 0.000 2.489 223 S HA 0.740 5.223 4.470 0.022 0.000 0.291 223 S C -0.400 174.133 174.600 -0.111 0.000 1.151 223 S CA -0.772 57.414 58.200 -0.023 0.000 1.082 223 S CB 0.564 63.774 63.200 0.017 0.000 1.019 223 S HN 0.699 nan 8.310 nan 0.000 0.492 224 R N 1.613 121.938 120.500 -0.291 0.000 2.799 224 R HA 0.637 4.991 4.340 0.022 0.000 0.270 224 R C -0.906 175.172 176.300 -0.370 0.000 1.010 224 R CA -0.770 55.065 56.100 -0.441 0.000 0.916 224 R CB 1.250 30.964 30.300 -0.977 0.000 1.228 224 R HN 0.650 nan 8.270 nan 0.000 0.469 225 T N -0.211 114.264 114.554 -0.132 0.000 2.868 225 T HA 0.413 4.776 4.350 0.022 0.000 0.306 225 T C 0.349 175.174 174.700 0.208 0.000 1.224 225 T CA -0.512 61.628 62.100 0.066 0.000 1.012 225 T CB 1.341 70.230 68.868 0.036 0.000 1.221 225 T HN 0.500 nan 8.240 nan 0.000 0.499 226 M N 1.809 121.549 119.600 0.234 0.000 2.495 226 M HA 0.115 4.608 4.480 0.022 0.000 0.237 226 M C 2.001 178.545 176.300 0.407 0.000 1.131 226 M CA 0.239 55.700 55.300 0.268 0.000 1.032 226 M CB 0.191 32.753 32.600 -0.064 0.000 1.513 226 M HN 0.670 nan 8.290 nan 0.000 0.488 227 S N -0.284 115.565 115.700 0.249 0.000 2.528 227 S HA 0.056 4.539 4.470 0.022 0.000 0.219 227 S C 1.651 176.358 174.600 0.179 0.000 0.985 227 S CA 0.195 58.503 58.200 0.180 0.000 0.914 227 S CB 0.078 63.326 63.200 0.080 0.000 0.776 227 S HN 0.245 nan 8.310 nan 0.000 0.526 228 K N 1.395 121.917 120.400 0.203 0.000 2.242 228 K HA 0.416 4.749 4.320 0.022 0.000 0.200 228 K C 2.022 178.854 176.600 0.386 0.000 1.050 228 K CA 1.121 57.572 56.287 0.273 0.000 0.981 228 K CB -0.655 31.997 32.500 0.252 0.000 0.795 228 K HN 0.457 nan 8.250 nan 0.000 0.477 229 A N 0.297 123.294 122.820 0.295 0.000 1.984 229 A HA 0.287 4.620 4.320 0.022 0.000 0.203 229 A C 0.625 178.193 177.584 -0.026 0.000 1.292 229 A CA -0.037 52.043 52.037 0.071 0.000 0.782 229 A CB -0.084 18.756 19.000 -0.268 0.000 0.924 229 A HN 0.069 nan 8.150 nan 0.000 0.475 230 F N 0.167 120.208 119.950 0.152 0.000 2.375 230 F HA 0.526 5.065 4.527 0.020 0.000 0.313 230 F C 0.109 176.066 175.800 0.262 0.000 1.176 230 F CA -0.418 57.710 58.000 0.212 0.000 1.142 230 F CB 0.565 39.707 39.000 0.237 0.000 1.275 230 F HN 0.133 nan 8.300 nan 0.000 0.544 231 D N 0.502 121.213 120.400 0.519 0.000 2.452 231 D HA 0.338 4.991 4.640 0.022 0.000 0.226 231 D C -1.695 174.808 176.300 0.338 0.000 1.366 231 D CA -0.314 53.849 54.000 0.271 0.000 0.986 231 D CB 0.370 41.263 40.800 0.156 0.000 1.420 231 D HN 0.284 nan 8.370 nan 0.000 0.583 232 F N 2.654 122.642 119.950 0.064 0.000 2.931 232 F HA 0.675 5.215 4.527 0.021 0.000 0.375 232 F C 0.485 176.289 175.800 0.007 0.000 1.243 232 F CA -1.046 56.971 58.000 0.028 0.000 1.206 232 F CB 0.553 39.562 39.000 0.015 0.000 1.643 232 F HN 0.423 nan 8.300 nan 0.000 0.593 233 A N 0.867 123.692 122.820 0.009 0.000 2.832 233 A HA 0.168 4.501 4.320 0.022 0.000 0.280 233 A C 1.833 179.351 177.584 -0.110 0.000 1.464 233 A CA 1.235 53.255 52.037 -0.029 0.000 0.804 233 A CB -2.070 16.940 19.000 0.017 0.000 1.020 233 A HN 2.800 nan 8.150 nan 0.000 0.563 234 G N -2.574 106.109 108.800 -0.195 0.000 2.198 234 G HA2 0.119 4.092 3.960 0.022 0.000 0.260 234 G HA3 0.119 4.092 3.960 0.022 0.000 0.260 234 G C 1.492 176.201 174.900 -0.318 0.000 1.025 234 G CA 0.975 45.939 45.100 -0.226 0.000 0.769 234 G HN 2.542 nan 8.290 nan 0.000 0.507 235 G N -0.973 107.486 108.800 -0.570 0.000 2.594 235 G HA2 0.549 4.522 3.960 0.022 0.000 0.243 235 G HA3 0.549 4.522 3.960 0.022 0.000 0.243 235 G C 0.140 174.617 174.900 -0.704 0.000 1.229 235 G CA -0.346 44.394 45.100 -0.600 0.000 0.843 235 G HN 0.539 nan 8.290 nan 0.000 0.578 236 R N -0.064 120.303 120.500 -0.221 0.000 2.725 236 R HA 0.593 4.946 4.340 0.022 0.000 0.277 236 R C -1.662 174.718 176.300 0.133 0.000 0.987 236 R CA -0.905 55.163 56.100 -0.052 0.000 0.901 236 R CB 2.334 32.612 30.300 -0.036 0.000 1.207 236 R HN 0.358 nan 8.270 nan 0.000 0.463 237 L N 1.548 122.881 121.223 0.183 0.000 2.710 237 L HA 0.437 4.791 4.340 0.022 0.000 0.262 237 L C -1.036 175.934 176.870 0.166 0.000 0.940 237 L CA -0.127 54.798 54.840 0.142 0.000 0.944 237 L CB 1.822 43.940 42.059 0.097 0.000 1.348 237 L HN 0.840 nan 8.230 nan 0.000 0.425 238 G N 3.614 112.505 108.800 0.151 0.000 2.389 238 G HA2 0.622 4.595 3.960 0.022 0.000 0.317 238 G HA3 0.622 4.595 3.960 0.022 0.000 0.317 238 G C -1.522 173.529 174.900 0.251 0.000 1.137 238 G CA -0.248 44.958 45.100 0.178 0.000 0.870 238 G HN 0.650 nan 8.290 nan 0.000 0.496 239 Y N -0.267 120.070 120.300 0.061 0.000 2.638 239 Y HA 0.770 5.333 4.550 0.022 0.000 0.335 239 Y C -1.326 174.681 175.900 0.179 0.000 1.155 239 Y CA -2.791 55.334 58.100 0.040 0.000 1.046 239 Y CB 1.247 39.670 38.460 -0.061 0.000 1.303 239 Y HN 0.740 nan 8.280 nan 0.000 0.460 240 F N 0.042 120.119 119.950 0.211 0.000 2.593 240 F HA 0.912 5.453 4.527 0.023 0.000 0.320 240 F C -1.885 174.016 175.800 0.168 0.000 1.060 240 F CA -1.879 56.173 58.000 0.087 0.000 0.940 240 F CB 1.578 40.621 39.000 0.072 0.000 1.268 240 F HN 0.381 nan 8.300 nan 0.000 0.475 241 V N 2.294 122.452 119.914 0.407 0.000 2.448 241 V HA 0.941 5.074 4.120 0.022 0.000 0.295 241 V C -0.136 176.127 176.094 0.281 0.000 1.025 241 V CA -0.113 62.369 62.300 0.303 0.000 0.859 241 V CB 0.345 32.284 31.823 0.193 0.000 0.988 241 V HN 1.348 nan 8.190 nan 0.000 0.431 242 A N 3.662 126.660 122.820 0.296 0.000 2.536 242 A HA 0.554 4.887 4.320 0.022 0.000 0.293 242 A C -0.557 177.174 177.584 0.244 0.000 1.119 242 A CA -0.756 51.396 52.037 0.191 0.000 0.654 242 A CB 1.067 20.109 19.000 0.070 0.000 1.291 242 A HN 0.687 nan 8.150 nan 0.000 0.439 243 N N 0.209 119.071 118.700 0.271 0.000 2.353 243 N HA 0.040 4.794 4.740 0.022 0.000 0.248 243 N C -1.629 174.068 175.510 0.311 0.000 1.240 243 N CA -0.615 52.602 53.050 0.278 0.000 0.862 243 N CB 0.962 39.625 38.487 0.294 0.000 1.086 243 N HN 0.156 nan 8.380 nan 0.000 0.453 244 P HA -0.131 nan 4.420 nan 0.000 0.218 244 P C 0.749 178.137 177.300 0.148 0.000 1.146 244 P CA 1.347 64.549 63.100 0.170 0.000 0.813 244 P CB 0.042 31.806 31.700 0.106 0.000 0.778 245 A N -1.676 121.205 122.820 0.101 0.000 2.024 245 A HA -0.186 4.147 4.320 0.022 0.000 0.220 245 A C 1.836 179.393 177.584 -0.045 0.000 1.164 245 A CA 1.341 53.368 52.037 -0.016 0.000 0.643 245 A CB -1.726 17.207 19.000 -0.112 0.000 0.806 245 A HN 0.116 nan 8.150 nan 0.000 0.451 246 F N -0.783 119.240 119.950 0.122 0.000 2.325 246 F HA -0.039 4.502 4.527 0.023 0.000 0.299 246 F C 1.907 177.831 175.800 0.206 0.000 1.090 246 F CA 0.823 58.925 58.000 0.170 0.000 1.392 246 F CB -0.254 38.814 39.000 0.113 0.000 1.053 246 F HN 0.116 nan 8.300 nan 0.000 0.521 247 I N 0.054 120.820 120.570 0.326 0.000 2.252 247 I HA -0.254 3.930 4.170 0.022 0.000 0.245 247 I C 1.981 178.026 176.117 -0.120 0.000 1.102 247 I CA 1.351 62.680 61.300 0.048 0.000 1.385 247 I CB -0.705 37.364 38.000 0.115 0.000 1.064 247 I HN -0.014 nan 8.210 nan 0.000 0.414 248 D N 0.635 121.017 120.400 -0.030 0.000 2.149 248 D HA -0.186 4.467 4.640 0.022 0.000 0.198 248 D C 2.276 178.508 176.300 -0.114 0.000 0.990 248 D CA 1.620 55.578 54.000 -0.070 0.000 0.839 248 D CB -0.263 40.511 40.800 -0.043 0.000 0.948 248 D HN 0.378 nan 8.370 nan 0.000 0.460 249 A N 0.703 123.470 122.820 -0.089 0.000 1.855 249 A HA -0.124 4.209 4.320 0.022 0.000 0.215 249 A C 2.463 179.931 177.584 -0.194 0.000 1.191 249 A CA 2.042 53.997 52.037 -0.136 0.000 0.613 249 A CB -0.790 18.182 19.000 -0.048 0.000 0.829 249 A HN 0.227 nan 8.150 nan 0.000 0.442 250 V N -3.030 116.766 119.914 -0.196 0.000 2.809 250 V HA -0.138 3.995 4.120 0.022 0.000 0.256 250 V C 2.145 178.002 176.094 -0.395 0.000 1.080 250 V CA 1.548 63.675 62.300 -0.288 0.000 1.102 250 V CB -0.945 30.677 31.823 -0.335 0.000 0.705 250 V HN 0.435 nan 8.190 nan 0.000 0.475 251 M N 0.126 119.455 119.600 -0.451 0.000 2.267 251 M HA -0.067 4.427 4.480 0.022 0.000 0.263 251 M C 2.074 178.294 176.300 -0.134 0.000 1.063 251 M CA 1.728 56.863 55.300 -0.276 0.000 1.090 251 M CB -0.688 31.797 32.600 -0.193 0.000 1.392 251 M HN 0.426 nan 8.290 nan 0.000 0.422 252 L N -0.440 120.698 121.223 -0.141 0.000 2.395 252 L HA -0.084 4.269 4.340 0.022 0.000 0.218 252 L C 2.059 178.879 176.870 -0.083 0.000 1.130 252 L CA 0.391 55.170 54.840 -0.101 0.000 0.826 252 L CB -0.340 41.647 42.059 -0.121 0.000 0.941 252 L HN 0.228 nan 8.230 nan 0.000 0.451 253 V N -3.315 116.542 119.914 -0.094 0.000 3.612 253 V HA 0.177 4.311 4.120 0.022 0.000 0.268 253 V C 0.922 176.996 176.094 -0.034 0.000 1.365 253 V CA -0.581 61.682 62.300 -0.061 0.000 1.044 253 V CB -0.281 31.498 31.823 -0.073 0.000 0.820 253 V HN 0.356 nan 8.190 nan 0.000 0.444 254 R N 1.633 122.106 120.500 -0.044 0.000 2.594 254 R HA 0.488 4.841 4.340 0.022 0.000 0.272 254 R C -0.297 175.998 176.300 -0.009 0.000 1.074 254 R CA -0.382 55.687 56.100 -0.053 0.000 1.105 254 R CB -0.078 30.205 30.300 -0.029 0.000 1.008 254 R HN 0.358 nan 8.270 nan 0.000 0.472 255 L N 4.005 125.226 121.223 -0.002 0.000 2.418 255 L HA 0.254 4.607 4.340 0.022 0.000 0.274 255 L C -1.831 175.153 176.870 0.191 0.000 1.135 255 L CA -2.053 52.846 54.840 0.099 0.000 0.870 255 L CB 0.655 42.789 42.059 0.125 0.000 1.154 255 L HN 0.488 nan 8.230 nan 0.000 0.462 256 P HA -0.069 nan 4.420 nan 0.000 0.262 256 P C -0.741 176.745 177.300 0.311 0.000 1.182 256 P CA 0.267 63.477 63.100 0.184 0.000 0.761 256 P CB 0.055 31.903 31.700 0.247 0.000 0.795 257 Y N -0.010 120.389 120.300 0.165 0.000 3.929 257 Y HA -0.299 4.264 4.550 0.022 0.000 0.225 257 Y C 2.009 177.939 175.900 0.050 0.000 1.200 257 Y CA 0.886 59.021 58.100 0.059 0.000 1.791 257 Y CB -2.759 35.723 38.460 0.036 0.000 1.561 257 Y HN 0.633 nan 8.280 nan 0.000 0.657 258 H N -1.178 117.946 119.070 0.089 0.000 2.421 258 H HA 0.027 4.596 4.556 0.023 0.000 0.298 258 H C 0.797 176.148 175.328 0.037 0.000 1.087 258 H CA 1.220 57.312 56.048 0.073 0.000 1.330 258 H CB 0.090 29.901 29.762 0.082 0.000 1.388 258 H HN 0.395 nan 8.280 nan 0.000 0.526 259 L N 3.184 124.114 121.223 -0.489 0.000 2.287 259 L HA 0.231 4.584 4.340 0.022 0.000 0.287 259 L C 0.021 176.782 176.870 -0.182 0.000 1.022 259 L CA -0.611 54.012 54.840 -0.362 0.000 0.814 259 L CB 1.534 43.246 42.059 -0.578 0.000 1.217 259 L HN 0.368 nan 8.230 nan 0.000 0.420 260 S N 3.239 118.888 115.700 -0.084 0.000 2.592 260 S HA 0.466 4.949 4.470 0.022 0.000 0.271 260 S C 1.413 175.985 174.600 -0.046 0.000 1.326 260 S CA -0.119 58.061 58.200 -0.033 0.000 1.024 260 S CB 1.269 64.461 63.200 -0.013 0.000 0.921 260 S HN 0.825 nan 8.310 nan 0.000 0.527 261 A N 2.220 125.026 122.820 -0.022 0.000 1.917 261 A HA -0.089 4.244 4.320 0.022 0.000 0.219 261 A C 2.043 179.609 177.584 -0.030 0.000 1.182 261 A CA 1.621 53.641 52.037 -0.027 0.000 0.633 261 A CB -1.047 17.947 19.000 -0.010 0.000 0.819 261 A HN 0.920 nan 8.150 nan 0.000 0.448 262 L N -0.540 120.672 121.223 -0.018 0.000 1.989 262 L HA -0.185 4.168 4.340 0.022 0.000 0.211 262 L C 2.648 179.516 176.870 -0.004 0.000 1.071 262 L CA 2.286 57.120 54.840 -0.009 0.000 0.749 262 L CB -0.544 41.513 42.059 -0.003 0.000 0.890 262 L HN 0.407 nan 8.230 nan 0.000 0.431 263 S N -0.528 115.165 115.700 -0.012 0.000 2.356 263 S HA -0.240 4.243 4.470 0.022 0.000 0.223 263 S C 1.735 176.321 174.600 -0.022 0.000 1.032 263 S CA 1.458 59.659 58.200 0.001 0.000 1.005 263 S CB -0.131 63.055 63.200 -0.023 0.000 0.867 263 S HN 0.501 nan 8.310 nan 0.000 0.449 264 Q N 0.764 120.520 119.800 -0.074 0.000 1.993 264 Q HA -0.104 4.249 4.340 0.022 0.000 0.202 264 Q C 2.597 178.534 176.000 -0.104 0.000 0.984 264 Q CA 1.443 57.176 55.803 -0.116 0.000 0.837 264 Q CB -0.490 28.170 28.738 -0.129 0.000 0.902 264 Q HN 0.567 nan 8.270 nan 0.000 0.423 265 A N 1.390 124.168 122.820 -0.069 0.000 1.896 265 A HA -0.309 4.025 4.320 0.022 0.000 0.220 265 A C 2.329 179.879 177.584 -0.056 0.000 1.206 265 A CA 2.322 54.325 52.037 -0.056 0.000 0.647 265 A CB -1.167 17.816 19.000 -0.029 0.000 0.828 265 A HN 0.473 nan 8.150 nan 0.000 0.455 266 A N -0.823 121.989 122.820 -0.013 0.000 1.930 266 A HA 0.223 4.557 4.320 0.022 0.000 0.217 266 A C 2.491 180.010 177.584 -0.108 0.000 1.175 266 A CA 2.045 54.109 52.037 0.045 0.000 0.627 266 A CB -0.931 18.188 19.000 0.198 0.000 0.815 266 A HN 1.173 nan 8.150 nan 0.000 0.443 267 A N 0.032 122.726 122.820 -0.211 0.000 1.898 267 A HA -0.045 4.288 4.320 0.022 0.000 0.216 267 A C 2.084 179.360 177.584 -0.513 0.000 1.181 267 A CA 1.404 53.094 52.037 -0.578 0.000 0.620 267 A CB -0.581 18.189 19.000 -0.383 0.000 0.819 267 A HN 0.479 nan 8.150 nan 0.000 0.442 268 I N -0.386 120.001 120.570 -0.304 0.000 2.208 268 I HA -0.233 3.950 4.170 0.022 0.000 0.245 268 I C 2.331 178.340 176.117 -0.180 0.000 1.097 268 I CA 1.126 62.285 61.300 -0.234 0.000 1.363 268 I CB -0.285 37.622 38.000 -0.155 0.000 1.051 268 I HN 0.159 nan 8.210 nan 0.000 0.413 269 V N 0.946 120.780 119.914 -0.134 0.000 2.295 269 V HA -0.294 3.840 4.120 0.022 0.000 0.246 269 V C 2.737 178.824 176.094 -0.011 0.000 1.049 269 V CA 1.983 64.268 62.300 -0.026 0.000 1.024 269 V CB -1.002 30.824 31.823 0.005 0.000 0.648 269 V HN 0.501 nan 8.190 nan 0.000 0.447 270 A N -0.336 122.355 122.820 -0.214 0.000 1.908 270 A HA -0.207 4.126 4.320 0.022 0.000 0.218 270 A C 2.230 179.727 177.584 -0.146 0.000 1.181 270 A CA 1.978 53.883 52.037 -0.219 0.000 0.627 270 A CB -0.587 17.959 19.000 -0.756 0.000 0.818 270 A HN 0.511 nan 8.150 nan 0.000 0.445 271 L N -0.529 120.488 121.223 -0.343 0.000 2.093 271 L HA -0.192 4.161 4.340 0.022 0.000 0.208 271 L C 2.768 179.600 176.870 -0.063 0.000 1.085 271 L CA 1.706 56.380 54.840 -0.277 0.000 0.755 271 L CB -0.419 41.428 42.059 -0.353 0.000 0.904 271 L HN 0.604 nan 8.230 nan 0.000 0.435 272 R N -1.203 119.260 120.500 -0.061 0.000 2.280 272 R HA -0.106 4.247 4.340 0.022 0.000 0.207 272 R C 0.762 176.951 176.300 -0.185 0.000 1.043 272 R CA 1.029 57.072 56.100 -0.096 0.000 1.006 272 R CB -0.434 29.792 30.300 -0.124 0.000 0.885 272 R HN 0.378 nan 8.270 nan 0.000 0.467 273 H N 0.444 119.525 119.070 0.019 0.000 2.487 273 H HA 0.171 4.726 4.556 -0.002 0.000 0.290 273 H C 1.419 176.797 175.328 0.083 0.000 1.081 273 H CA 0.311 56.385 56.048 0.044 0.000 1.116 273 H CB 0.946 30.732 29.762 0.040 0.000 1.560 273 H HN 0.362 nan 8.280 nan 0.000 0.548 274 S N -0.032 115.788 115.700 0.200 0.000 2.387 274 S HA -0.267 4.217 4.470 0.022 0.000 0.230 274 S C 2.487 177.149 174.600 0.102 0.000 1.035 274 S CA 0.925 59.275 58.200 0.250 0.000 1.014 274 S CB -0.377 63.035 63.200 0.354 0.000 0.836 274 S HN 0.465 nan 8.310 nan 0.000 0.466 275 A N 2.411 125.276 122.820 0.075 0.000 1.917 275 A HA -0.203 4.131 4.320 0.022 0.000 0.219 275 A C 2.022 179.607 177.584 0.001 0.000 1.182 275 A CA 1.944 53.996 52.037 0.026 0.000 0.633 275 A CB -1.000 18.006 19.000 0.010 0.000 0.819 275 A HN 0.532 nan 8.150 nan 0.000 0.448 276 D N -0.872 119.543 120.400 0.025 0.000 2.117 276 D HA -0.079 4.575 4.640 0.022 0.000 0.198 276 D C 2.059 178.323 176.300 -0.059 0.000 0.982 276 D CA 1.821 55.822 54.000 0.003 0.000 0.828 276 D CB -0.536 40.297 40.800 0.055 0.000 0.967 276 D HN 0.429 nan 8.370 nan 0.000 0.464 277 T N 1.184 115.683 114.554 -0.090 0.000 2.777 277 T HA -0.050 4.313 4.350 0.022 0.000 0.266 277 T C 2.236 176.780 174.700 -0.260 0.000 1.040 277 T CA 0.498 62.453 62.100 -0.242 0.000 1.141 277 T CB -0.223 68.308 68.868 -0.560 0.000 0.868 277 T HN 0.120 nan 8.240 nan 0.000 0.444 278 L N 0.810 121.919 121.223 -0.190 0.000 2.131 278 L HA -0.000 4.353 4.340 0.022 0.000 0.210 278 L C 2.951 179.742 176.870 -0.133 0.000 1.092 278 L CA 1.145 55.894 54.840 -0.152 0.000 0.759 278 L CB -0.935 41.085 42.059 -0.067 0.000 0.903 278 L HN 0.345 nan 8.230 nan 0.000 0.435 279 G N 0.014 108.743 108.800 -0.119 0.000 2.418 279 G HA2 -0.279 3.695 3.960 0.022 0.000 0.217 279 G HA3 -0.279 3.695 3.960 0.022 0.000 0.217 279 G C 1.719 176.510 174.900 -0.182 0.000 1.158 279 G CA 1.305 46.332 45.100 -0.122 0.000 0.771 279 G HN 0.453 nan 8.290 nan 0.000 0.545 280 T N -0.332 114.081 114.554 -0.236 0.000 2.867 280 T HA -0.126 4.238 4.350 0.022 0.000 0.268 280 T C 2.484 177.082 174.700 -0.170 0.000 1.057 280 T CA 1.813 63.693 62.100 -0.367 0.000 1.136 280 T CB -0.533 68.126 68.868 -0.348 0.000 0.874 280 T HN 0.521 nan 8.240 nan 0.000 0.466 281 V N 0.506 120.347 119.914 -0.122 0.000 2.453 281 V HA -0.054 4.079 4.120 0.022 0.000 0.247 281 V C 2.477 178.584 176.094 0.022 0.000 1.048 281 V CA 1.950 64.216 62.300 -0.056 0.000 1.049 281 V CB -0.869 30.719 31.823 -0.392 0.000 0.672 281 V HN 0.569 nan 8.190 nan 0.000 0.457 282 E N 1.037 121.209 120.200 -0.047 0.000 2.049 282 E HA -0.329 4.034 4.350 0.022 0.000 0.198 282 E C 2.268 178.876 176.600 0.014 0.000 1.007 282 E CA 2.202 58.592 56.400 -0.017 0.000 0.809 282 E CB -0.237 29.436 29.700 -0.045 0.000 0.749 282 E HN 0.717 nan 8.360 nan 0.000 0.450 283 K N 0.047 120.429 120.400 -0.030 0.000 2.097 283 K HA -0.104 4.229 4.320 0.022 0.000 0.206 283 K C 2.367 179.031 176.600 0.106 0.000 1.049 283 K CA 1.174 57.459 56.287 -0.004 0.000 0.933 283 K CB -0.107 32.312 32.500 -0.135 0.000 0.717 283 K HN 0.193 nan 8.250 nan 0.000 0.442 284 L N 0.286 121.612 121.223 0.173 0.000 2.093 284 L HA -0.172 4.182 4.340 0.022 0.000 0.208 284 L C 2.608 179.579 176.870 0.168 0.000 1.085 284 L CA 1.003 55.983 54.840 0.235 0.000 0.755 284 L CB -0.401 41.873 42.059 0.359 0.000 0.904 284 L HN 0.171 nan 8.230 nan 0.000 0.435 285 S N -0.525 115.292 115.700 0.195 0.000 2.383 285 S HA -0.124 4.359 4.470 0.022 0.000 0.227 285 S C 1.973 176.618 174.600 0.075 0.000 1.026 285 S CA 1.146 59.432 58.200 0.143 0.000 0.981 285 S CB -0.100 63.190 63.200 0.150 0.000 0.818 285 S HN 0.174 nan 8.310 nan 0.000 0.472 286 V N 2.141 122.095 119.914 0.067 0.000 2.295 286 V HA -0.077 4.056 4.120 0.022 0.000 0.246 286 V C 2.770 178.892 176.094 0.046 0.000 1.049 286 V CA 1.807 64.135 62.300 0.047 0.000 1.024 286 V CB -0.673 31.175 31.823 0.041 0.000 0.648 286 V HN 0.444 nan 8.190 nan 0.000 0.447 287 E N 0.056 120.292 120.200 0.060 0.000 2.153 287 E HA -0.228 4.135 4.350 0.022 0.000 0.194 287 E C 2.308 178.925 176.600 0.028 0.000 0.988 287 E CA 1.162 57.594 56.400 0.053 0.000 0.811 287 E CB -0.265 29.480 29.700 0.074 0.000 0.746 287 E HN 0.578 nan 8.360 nan 0.000 0.466 288 R N 0.734 121.243 120.500 0.015 0.000 2.070 288 R HA -0.112 4.242 4.340 0.022 0.000 0.233 288 R C 2.290 178.588 176.300 -0.004 0.000 1.137 288 R CA 1.490 57.579 56.100 -0.018 0.000 0.945 288 R CB -0.266 30.005 30.300 -0.048 0.000 0.845 288 R HN -0.026 nan 8.270 nan 0.000 0.430 289 V N 1.491 121.411 119.914 0.009 0.000 2.380 289 V HA -0.285 3.848 4.120 0.022 0.000 0.251 289 V C 2.647 178.753 176.094 0.020 0.000 1.063 289 V CA 2.308 64.617 62.300 0.015 0.000 1.055 289 V CB -0.734 31.101 31.823 0.020 0.000 0.657 289 V HN 0.422 nan 8.190 nan 0.000 0.455 290 R N -0.261 120.253 120.500 0.024 0.000 2.061 290 R HA -0.111 4.243 4.340 0.022 0.000 0.230 290 R C 2.317 178.635 176.300 0.031 0.000 1.140 290 R CA 1.673 57.791 56.100 0.029 0.000 0.940 290 R CB -0.356 29.964 30.300 0.033 0.000 0.839 290 R HN 0.391 nan 8.270 nan 0.000 0.429 291 V N 1.271 121.204 119.914 0.032 0.000 2.332 291 V HA -0.283 3.850 4.120 0.022 0.000 0.248 291 V C 2.487 178.599 176.094 0.030 0.000 1.055 291 V CA 2.035 64.363 62.300 0.047 0.000 1.038 291 V CB -0.814 31.030 31.823 0.036 0.000 0.651 291 V HN 0.544 nan 8.190 nan 0.000 0.450 292 A N -0.042 122.787 122.820 0.014 0.000 1.877 292 A HA -0.128 4.205 4.320 0.022 0.000 0.216 292 A C 2.461 180.067 177.584 0.037 0.000 1.186 292 A CA 2.217 54.266 52.037 0.020 0.000 0.620 292 A CB -0.929 18.084 19.000 0.022 0.000 0.822 292 A HN 0.584 nan 8.150 nan 0.000 0.443 293 A N -0.175 122.666 122.820 0.034 0.000 1.883 293 A HA -0.211 4.123 4.320 0.022 0.000 0.217 293 A C 2.255 179.862 177.584 0.040 0.000 1.186 293 A CA 1.749 53.808 52.037 0.036 0.000 0.624 293 A CB -0.507 18.511 19.000 0.029 0.000 0.822 293 A HN 0.564 nan 8.150 nan 0.000 0.444 294 R N -0.702 119.820 120.500 0.037 0.000 2.092 294 R HA 0.024 4.377 4.340 0.022 0.000 0.231 294 R C 2.050 178.384 176.300 0.056 0.000 1.119 294 R CA 1.199 57.321 56.100 0.036 0.000 0.970 294 R CB -0.470 29.847 30.300 0.028 0.000 0.864 294 R HN 0.507 nan 8.270 nan 0.000 0.440 295 L N 0.680 121.942 121.223 0.065 0.000 2.046 295 L HA -0.192 4.161 4.340 0.022 0.000 0.208 295 L C 2.184 179.174 176.870 0.200 0.000 1.077 295 L CA 1.459 56.386 54.840 0.144 0.000 0.747 295 L CB -0.313 41.750 42.059 0.006 0.000 0.896 295 L HN 0.254 nan 8.230 nan 0.000 0.432 296 E N -0.315 119.955 120.200 0.118 0.000 2.150 296 E HA -0.198 4.166 4.350 0.022 0.000 0.193 296 E C 2.047 178.677 176.600 0.049 0.000 0.985 296 E CA 0.802 57.257 56.400 0.091 0.000 0.814 296 E CB 0.060 29.804 29.700 0.073 0.000 0.752 296 E HN 0.522 nan 8.360 nan 0.000 0.466 297 E N 0.779 121.002 120.200 0.039 0.000 2.031 297 E HA -0.175 4.188 4.350 0.022 0.000 0.193 297 E C 2.146 178.741 176.600 -0.008 0.000 0.994 297 E CA 0.801 57.209 56.400 0.014 0.000 0.800 297 E CB -0.122 29.586 29.700 0.014 0.000 0.752 297 E HN 0.248 nan 8.360 nan 0.000 0.447 298 L N -0.446 120.779 121.223 0.003 0.000 2.353 298 L HA -0.103 4.250 4.340 0.022 0.000 0.220 298 L C 1.597 178.354 176.870 -0.188 0.000 1.133 298 L CA 0.917 55.721 54.840 -0.060 0.000 0.798 298 L CB -0.251 41.818 42.059 0.017 0.000 0.922 298 L HN 0.437 nan 8.230 nan 0.000 0.445 299 G N -2.444 106.277 108.800 -0.132 0.000 2.184 299 G HA2 -0.255 3.718 3.960 0.022 0.000 0.206 299 G HA3 -0.255 3.718 3.960 0.022 0.000 0.206 299 G C -0.067 174.725 174.900 -0.179 0.000 0.995 299 G CA -0.655 44.345 45.100 -0.167 0.000 0.651 299 G HN 0.150 nan 8.290 nan 0.000 0.511 300 Y N 1.262 121.557 120.300 -0.008 0.000 2.346 300 Y HA 0.536 5.099 4.550 0.023 0.000 0.330 300 Y C 1.009 176.929 175.900 0.034 0.000 1.178 300 Y CA 0.136 58.240 58.100 0.006 0.000 1.331 300 Y CB 1.087 39.604 38.460 0.095 0.000 1.253 300 Y HN 0.430 nan 8.280 nan 0.000 0.529 301 A N 3.520 126.459 122.820 0.198 0.000 2.354 301 A HA 0.562 4.895 4.320 0.022 0.000 0.281 301 A C -0.850 176.873 177.584 0.231 0.000 1.174 301 A CA -0.461 51.682 52.037 0.176 0.000 0.828 301 A CB -0.260 18.832 19.000 0.153 0.000 1.099 301 A HN 0.529 nan 8.150 nan 0.000 0.516 302 V N 4.280 124.318 119.914 0.207 0.000 2.487 302 V HA 0.236 4.369 4.120 0.022 0.000 0.298 302 V C 0.128 176.334 176.094 0.187 0.000 1.028 302 V CA -0.689 61.738 62.300 0.210 0.000 0.860 302 V CB 1.652 33.575 31.823 0.166 0.000 0.991 302 V HN 0.638 nan 8.190 nan 0.000 0.427 303 V N 7.360 127.401 119.914 0.212 0.000 2.572 303 V HA 0.170 4.304 4.120 0.022 0.000 0.291 303 V C -1.986 174.187 176.094 0.131 0.000 1.039 303 V CA -1.214 61.203 62.300 0.194 0.000 1.055 303 V CB 1.041 32.997 31.823 0.221 0.000 0.969 303 V HN 0.777 nan 8.190 nan 0.000 0.482 304 P HA 0.119 nan 4.420 nan 0.000 0.263 304 P C -0.456 176.861 177.300 0.029 0.000 1.195 304 P CA 0.498 63.633 63.100 0.059 0.000 0.762 304 P CB 0.576 32.308 31.700 0.053 0.000 0.799 305 S N 2.311 118.007 115.700 -0.007 0.000 2.566 305 S HA 0.396 4.880 4.470 0.022 0.000 0.298 305 S C -0.101 174.448 174.600 -0.086 0.000 1.083 305 S CA -0.591 57.562 58.200 -0.078 0.000 0.978 305 S CB 1.038 64.157 63.200 -0.135 0.000 1.073 305 S HN 0.383 nan 8.310 nan 0.000 0.491 306 E N 1.497 121.625 120.200 -0.120 0.000 2.968 306 E HA 0.192 4.555 4.350 0.022 0.000 0.202 306 E C -0.119 176.430 176.600 -0.085 0.000 0.979 306 E CA -0.247 56.115 56.400 -0.063 0.000 1.192 306 E CB 0.944 30.642 29.700 -0.002 0.000 1.059 306 E HN 0.647 nan 8.360 nan 0.000 0.470 307 S N 0.694 116.195 115.700 -0.333 0.000 2.667 307 S HA 0.212 4.695 4.470 0.022 0.000 0.292 307 S C 0.730 174.956 174.600 -0.624 0.000 1.108 307 S CA -0.726 57.164 58.200 -0.516 0.000 0.992 307 S CB 0.423 62.763 63.200 -1.433 0.000 1.269 307 S HN 0.182 nan 8.310 nan 0.000 0.528 308 N N 0.475 118.614 118.700 -0.935 0.000 2.376 308 N HA 0.248 5.001 4.740 0.022 0.000 0.249 308 N C -0.654 174.655 175.510 -0.335 0.000 1.140 308 N CA -0.519 52.031 53.050 -0.834 0.000 0.870 308 N CB -0.840 36.843 38.487 -1.341 0.000 1.124 308 N HN 0.666 nan 8.380 nan 0.000 0.505 309 F N -2.986 116.786 119.950 -0.298 0.000 2.686 309 F HA 0.748 5.288 4.527 0.022 0.000 0.311 309 F C -1.317 174.407 175.800 -0.127 0.000 1.128 309 F CA -1.443 56.426 58.000 -0.218 0.000 0.946 309 F CB 0.881 39.745 39.000 -0.226 0.000 1.336 309 F HN -0.249 nan 8.300 nan 0.000 0.457 310 V N 1.710 121.728 119.914 0.174 0.000 2.680 310 V HA 0.535 4.669 4.120 0.022 0.000 0.309 310 V C -1.566 174.776 176.094 0.414 0.000 1.052 310 V CA -0.690 61.719 62.300 0.182 0.000 0.908 310 V CB 2.095 33.935 31.823 0.028 0.000 1.001 310 V HN 0.741 nan 8.190 nan 0.000 0.431 311 F N 6.715 126.801 119.950 0.228 0.000 2.460 311 F HA 0.826 5.365 4.527 0.022 0.000 0.341 311 F C -0.870 175.094 175.800 0.274 0.000 1.130 311 F CA -1.248 56.865 58.000 0.188 0.000 0.962 311 F CB 1.166 40.163 39.000 -0.004 0.000 1.171 311 F HN 0.463 nan 8.300 nan 0.000 0.436 312 F N 3.048 122.825 119.950 -0.288 0.000 2.662 312 F HA 0.963 5.504 4.527 0.023 0.000 0.312 312 F C -0.109 175.593 175.800 -0.164 0.000 1.113 312 F CA -0.576 57.350 58.000 -0.123 0.000 0.951 312 F CB 1.473 40.429 39.000 -0.073 0.000 1.344 312 F HN 0.726 nan 8.300 nan 0.000 0.462 313 G N 0.709 109.383 108.800 -0.211 0.000 1.849 313 G HA2 0.162 4.135 3.960 0.022 0.000 0.066 313 G HA3 0.162 4.135 3.960 0.022 0.000 0.066 313 G C -0.977 173.577 174.900 -0.576 0.000 0.986 313 G CA 0.086 44.767 45.100 -0.698 0.000 1.081 313 G HN 1.078 nan 8.290 nan 0.000 0.306 314 D N 0.319 120.294 120.400 -0.708 0.000 2.760 314 D HA -0.093 4.560 4.640 0.022 0.000 0.244 314 D C -0.033 176.052 176.300 -0.359 0.000 1.123 314 D CA 0.891 54.643 54.000 -0.413 0.000 0.719 314 D CB -1.500 39.184 40.800 -0.192 0.000 1.045 314 D HN 0.385 nan 8.370 nan 0.000 0.426 315 F N -0.114 119.740 119.950 -0.161 0.000 2.380 315 F HA 0.370 4.910 4.527 0.022 0.000 0.325 315 F C 2.009 177.777 175.800 -0.052 0.000 1.136 315 F CA -0.317 57.642 58.000 -0.067 0.000 1.171 315 F CB 1.027 39.987 39.000 -0.067 0.000 1.230 315 F HN -0.041 nan 8.300 nan 0.000 0.554 316 S N -0.774 115.030 115.700 0.173 0.000 2.362 316 S HA -0.098 4.385 4.470 0.022 0.000 0.221 316 S C 0.081 174.718 174.600 0.061 0.000 1.032 316 S CA 0.927 59.182 58.200 0.092 0.000 0.973 316 S CB -0.135 63.098 63.200 0.055 0.000 0.849 316 S HN 0.672 nan 8.310 nan 0.000 0.465 317 D N 0.147 120.552 120.400 0.009 0.000 2.421 317 D HA 0.279 4.932 4.640 0.022 0.000 0.254 317 D C 0.304 176.572 176.300 -0.054 0.000 1.238 317 D CA -0.348 53.601 54.000 -0.085 0.000 0.919 317 D CB 1.545 42.148 40.800 -0.328 0.000 1.152 317 D HN 0.172 nan 8.370 nan 0.000 0.552 318 Q N 1.891 121.677 119.800 -0.023 0.000 2.245 318 Q HA -0.040 4.313 4.340 0.022 0.000 0.201 318 Q C 1.716 177.620 176.000 -0.160 0.000 0.955 318 Q CA 0.997 56.687 55.803 -0.188 0.000 0.870 318 Q CB -0.362 28.328 28.738 -0.080 0.000 0.945 318 Q HN 0.592 nan 8.270 nan 0.000 0.461 319 H N 0.526 119.533 119.070 -0.106 0.000 2.389 319 H HA 0.088 4.657 4.556 0.022 0.000 0.299 319 H C 1.729 177.097 175.328 0.066 0.000 1.081 319 H CA 1.348 57.381 56.048 -0.025 0.000 1.345 319 H CB 0.220 29.943 29.762 -0.065 0.000 1.393 319 H HN 0.390 nan 8.280 nan 0.000 0.520 320 A N 1.241 124.034 122.820 -0.044 0.000 1.877 320 A HA -0.142 4.191 4.320 0.022 0.000 0.216 320 A C 2.722 180.225 177.584 -0.134 0.000 1.186 320 A CA 1.853 53.830 52.037 -0.099 0.000 0.620 320 A CB -1.145 17.767 19.000 -0.146 0.000 0.822 320 A HN 0.543 nan 8.150 nan 0.000 0.443 321 A N -1.431 121.263 122.820 -0.210 0.000 1.917 321 A HA -0.228 4.105 4.320 0.022 0.000 0.219 321 A C 2.019 179.564 177.584 -0.065 0.000 1.182 321 A CA 1.783 53.650 52.037 -0.284 0.000 0.633 321 A CB -1.080 17.340 19.000 -0.968 0.000 0.819 321 A HN 0.938 nan 8.150 nan 0.000 0.448 322 W N 0.523 121.663 121.300 -0.267 0.000 2.338 322 W HA -0.256 4.416 4.660 0.021 0.000 0.304 322 W C 2.221 178.667 176.519 -0.121 0.000 1.212 322 W CA 2.271 59.522 57.345 -0.157 0.000 1.264 322 W CB -0.260 29.028 29.460 -0.287 0.000 1.142 322 W HN 0.407 nan 8.180 nan 0.000 0.512 323 Q N 0.938 120.616 119.800 -0.204 0.000 2.050 323 Q HA -0.145 4.208 4.340 0.022 0.000 0.202 323 Q C 2.323 178.133 176.000 -0.316 0.000 0.980 323 Q CA 2.759 58.339 55.803 -0.372 0.000 0.840 323 Q CB -1.059 27.594 28.738 -0.142 0.000 0.898 323 Q HN 0.309 nan 8.270 nan 0.000 0.424 324 A N -0.360 122.326 122.820 -0.224 0.000 1.873 324 A HA -0.213 4.120 4.320 0.022 0.000 0.218 324 A C 1.971 179.394 177.584 -0.269 0.000 1.193 324 A CA 1.813 53.704 52.037 -0.243 0.000 0.629 324 A CB -1.204 17.630 19.000 -0.277 0.000 0.826 324 A HN 0.481 nan 8.150 nan 0.000 0.447 325 F N -0.853 118.964 119.950 -0.222 0.000 2.095 325 F HA -0.183 4.357 4.527 0.023 0.000 0.298 325 F C 2.123 177.769 175.800 -0.256 0.000 1.104 325 F CA 1.683 59.573 58.000 -0.184 0.000 1.232 325 F CB -0.597 38.326 39.000 -0.128 0.000 0.987 325 F HN 0.262 nan 8.300 nan 0.000 0.475 326 L N 0.309 121.372 121.223 -0.265 0.000 2.083 326 L HA -0.195 4.159 4.340 0.022 0.000 0.209 326 L C 1.833 178.571 176.870 -0.219 0.000 1.083 326 L CA 1.835 56.466 54.840 -0.349 0.000 0.752 326 L CB -1.064 40.575 42.059 -0.700 0.000 0.899 326 L HN -0.001 nan 8.230 nan 0.000 0.433 327 D N -0.106 120.168 120.400 -0.209 0.000 2.182 327 D HA -0.179 4.474 4.640 0.022 0.000 0.201 327 D C 1.835 178.071 176.300 -0.106 0.000 0.986 327 D CA 1.176 55.090 54.000 -0.143 0.000 0.847 327 D CB -0.088 40.629 40.800 -0.139 0.000 0.942 327 D HN 0.405 nan 8.370 nan 0.000 0.467 328 R N -0.521 119.918 120.500 -0.102 0.000 2.391 328 R HA 0.285 4.638 4.340 0.022 0.000 0.249 328 R C 1.086 177.366 176.300 -0.034 0.000 0.957 328 R CA 0.404 56.464 56.100 -0.068 0.000 1.093 328 R CB 0.371 30.623 30.300 -0.079 0.000 1.156 328 R HN 0.085 nan 8.270 nan 0.000 0.526 329 G N 0.447 109.219 108.800 -0.047 0.000 2.147 329 G HA2 -0.240 3.734 3.960 0.022 0.000 0.244 329 G HA3 -0.240 3.734 3.960 0.022 0.000 0.244 329 G C -0.094 174.801 174.900 -0.008 0.000 1.005 329 G CA 0.032 45.112 45.100 -0.032 0.000 0.713 329 G HN 0.174 nan 8.290 nan 0.000 0.515 330 V N 0.828 120.747 119.914 0.009 0.000 2.349 330 V HA 0.559 4.692 4.120 0.022 0.000 0.284 330 V C 0.086 176.175 176.094 -0.009 0.000 1.014 330 V CA -0.897 61.438 62.300 0.058 0.000 0.826 330 V CB 1.560 33.509 31.823 0.211 0.000 1.009 330 V HN 0.361 nan 8.190 nan 0.000 0.431 331 L N 7.870 129.071 121.223 -0.037 0.000 2.295 331 L HA 0.563 4.916 4.340 0.022 0.000 0.288 331 L C 0.030 176.892 176.870 -0.013 0.000 1.079 331 L CA 0.416 55.228 54.840 -0.048 0.000 0.830 331 L CB 0.138 42.199 42.059 0.002 0.000 1.200 331 L HN 0.671 nan 8.230 nan 0.000 0.438 332 I N 1.434 121.995 120.570 -0.014 0.000 3.830 332 I HA 0.684 4.867 4.170 0.022 0.000 0.272 332 I C -0.304 175.935 176.117 0.203 0.000 1.333 332 I CA -1.327 59.973 61.300 0.001 0.000 1.006 332 I CB 1.161 39.070 38.000 -0.151 0.000 1.472 332 I HN 0.519 nan 8.210 nan 0.000 0.604 333 R N 1.242 121.808 120.500 0.110 0.000 2.494 333 R HA 0.311 4.665 4.340 0.022 0.000 0.305 333 R C -1.436 174.874 176.300 0.016 0.000 0.959 333 R CA -0.372 55.770 56.100 0.070 0.000 0.864 333 R CB 1.002 31.285 30.300 -0.029 0.000 1.159 333 R HN 0.705 nan 8.270 nan 0.000 0.446 334 D N 3.923 124.232 120.400 -0.152 0.000 2.396 334 D HA 0.072 4.725 4.640 0.022 0.000 0.225 334 D C 0.534 176.784 176.300 -0.083 0.000 1.121 334 D CA -0.411 53.484 54.000 -0.176 0.000 0.853 334 D CB 1.416 41.978 40.800 -0.396 0.000 1.043 334 D HN 0.372 nan 8.370 nan 0.000 0.500 335 V N 1.818 121.754 119.914 0.037 0.000 3.577 335 V HA 0.380 4.514 4.120 0.022 0.000 0.294 335 V C 1.340 177.467 176.094 0.056 0.000 1.317 335 V CA 0.230 62.599 62.300 0.115 0.000 1.169 335 V CB -0.498 31.458 31.823 0.221 0.000 1.011 335 V HN 0.702 nan 8.190 nan 0.000 0.426 336 G N 1.050 109.861 108.800 0.019 0.000 2.198 336 G HA2 -0.206 3.767 3.960 0.022 0.000 0.260 336 G HA3 -0.206 3.767 3.960 0.022 0.000 0.260 336 G C -0.148 174.783 174.900 0.052 0.000 1.025 336 G CA 0.477 45.580 45.100 0.006 0.000 0.769 336 G HN 0.522 nan 8.290 nan 0.000 0.507 337 I N 0.939 121.582 120.570 0.121 0.000 2.354 337 I HA 0.599 4.782 4.170 0.022 0.000 0.292 337 I C 1.059 177.320 176.117 0.240 0.000 0.989 337 I CA -1.031 60.391 61.300 0.203 0.000 1.188 337 I CB 0.936 39.132 38.000 0.327 0.000 1.342 337 I HN 0.354 nan 8.210 nan 0.000 0.457 338 A N 4.368 127.329 122.820 0.234 0.000 2.565 338 A HA 0.406 4.739 4.320 0.022 0.000 0.237 338 A C 1.394 179.163 177.584 0.309 0.000 1.053 338 A CA 0.791 52.961 52.037 0.222 0.000 0.755 338 A CB -0.304 18.809 19.000 0.189 0.000 0.980 338 A HN 1.416 nan 8.150 nan 0.000 0.506 339 G N 1.300 110.201 108.800 0.168 0.000 2.189 339 G HA2 -0.247 3.726 3.960 0.022 0.000 0.267 339 G HA3 -0.247 3.726 3.960 0.022 0.000 0.267 339 G C 0.119 174.853 174.900 -0.276 0.000 0.975 339 G CA 1.290 46.389 45.100 -0.001 0.000 0.644 339 G HN 1.342 nan 8.290 nan 0.000 0.537 340 H N -1.309 117.757 119.070 -0.007 0.000 2.865 340 H HA 0.822 5.391 4.556 0.022 0.000 0.372 340 H C -0.009 175.100 175.328 -0.366 0.000 1.173 340 H CA -0.750 55.085 56.048 -0.356 0.000 1.147 340 H CB 1.698 30.870 29.762 -0.982 0.000 1.805 340 H HN 0.220 nan 8.280 nan 0.000 0.553 341 L N 0.752 121.674 121.223 -0.501 0.000 2.350 341 L HA 0.580 4.933 4.340 0.022 0.000 0.260 341 L C -0.495 176.209 176.870 -0.277 0.000 1.015 341 L CA -0.924 53.689 54.840 -0.378 0.000 0.821 341 L CB 2.598 44.389 42.059 -0.447 0.000 1.370 341 L HN 0.401 nan 8.230 nan 0.000 0.416 342 R N 0.582 121.098 120.500 0.026 0.000 2.310 342 R HA 0.413 4.766 4.340 0.022 0.000 0.324 342 R C -1.020 175.318 176.300 0.063 0.000 0.955 342 R CA -0.214 55.985 56.100 0.165 0.000 0.830 342 R CB 1.662 32.033 30.300 0.118 0.000 1.154 342 R HN 0.619 nan 8.270 nan 0.000 0.458 343 T N 2.753 117.349 114.554 0.069 0.000 2.767 343 T HA 0.166 4.529 4.350 0.022 0.000 0.284 343 T C -0.143 174.441 174.700 -0.193 0.000 0.973 343 T CA -0.293 61.656 62.100 -0.252 0.000 0.996 343 T CB 0.965 69.288 68.868 -0.908 0.000 0.927 343 T HN 0.678 nan 8.240 nan 0.000 0.456 344 T N 5.344 119.798 114.554 -0.167 0.000 2.889 344 T HA 0.474 4.837 4.350 0.022 0.000 0.291 344 T C 0.398 175.006 174.700 -0.152 0.000 0.995 344 T CA -1.020 61.030 62.100 -0.085 0.000 1.092 344 T CB 0.140 68.979 68.868 -0.049 0.000 0.954 344 T HN 0.457 nan 8.240 nan 0.000 0.506 345 I N 4.009 124.505 120.570 -0.124 0.000 2.556 345 I HA 0.389 4.573 4.170 0.022 0.000 0.284 345 I C 1.237 177.310 176.117 -0.073 0.000 1.114 345 I CA 0.032 61.263 61.300 -0.116 0.000 1.418 345 I CB 0.237 38.182 38.000 -0.092 0.000 1.394 345 I HN 0.961 nan 8.210 nan 0.000 0.552 346 G N 5.282 114.040 108.800 -0.071 0.000 3.119 346 G HA2 0.620 4.593 3.960 0.022 0.000 0.206 346 G HA3 0.620 4.593 3.960 0.022 0.000 0.206 346 G C -0.235 174.610 174.900 -0.093 0.000 1.313 346 G CA -0.433 44.617 45.100 -0.082 0.000 1.010 346 G HN 0.530 nan 8.290 nan 0.000 0.578 347 V N -1.274 118.524 119.914 -0.194 0.000 3.096 347 V HA 0.280 4.413 4.120 0.022 0.000 0.306 347 V C -1.433 174.631 176.094 -0.050 0.000 1.088 347 V CA -0.832 61.345 62.300 -0.206 0.000 1.129 347 V CB 1.100 32.746 31.823 -0.295 0.000 1.014 347 V HN 0.445 nan 8.190 nan 0.000 0.486 348 P HA -0.117 nan 4.420 nan 0.000 0.216 348 P C 1.533 178.849 177.300 0.025 0.000 1.153 348 P CA 1.494 64.615 63.100 0.036 0.000 0.858 348 P CB 0.120 31.853 31.700 0.055 0.000 0.789 349 E N 0.251 120.457 120.200 0.010 0.000 2.038 349 E HA -0.211 4.152 4.350 0.022 0.000 0.195 349 E C 1.958 178.570 176.600 0.019 0.000 1.000 349 E CA 1.308 57.715 56.400 0.012 0.000 0.803 349 E CB -0.834 28.867 29.700 0.001 0.000 0.750 349 E HN 0.462 nan 8.360 nan 0.000 0.448 350 E N 0.768 120.970 120.200 0.003 0.000 2.097 350 E HA -0.176 4.187 4.350 0.022 0.000 0.196 350 E C 1.889 178.527 176.600 0.063 0.000 1.000 350 E CA 1.012 57.422 56.400 0.016 0.000 0.804 350 E CB -0.110 29.576 29.700 -0.024 0.000 0.740 350 E HN 0.187 nan 8.360 nan 0.000 0.454 351 N N 1.024 119.756 118.700 0.054 0.000 2.166 351 N HA -0.133 4.620 4.740 0.022 0.000 0.186 351 N C 1.296 176.899 175.510 0.154 0.000 1.019 351 N CA 1.036 54.149 53.050 0.104 0.000 0.856 351 N CB -0.211 38.313 38.487 0.062 0.000 0.993 351 N HN 0.206 nan 8.380 nan 0.000 0.426 352 D N 0.811 121.265 120.400 0.090 0.000 2.123 352 D HA 0.005 4.658 4.640 0.022 0.000 0.200 352 D C 1.822 178.159 176.300 0.062 0.000 0.976 352 D CA 0.871 54.910 54.000 0.064 0.000 0.831 352 D CB -0.142 40.681 40.800 0.038 0.000 0.974 352 D HN 0.176 nan 8.370 nan 0.000 0.469 353 A N 1.011 123.874 122.820 0.073 0.000 1.948 353 A HA -0.218 4.115 4.320 0.022 0.000 0.220 353 A C 2.056 179.714 177.584 0.124 0.000 1.177 353 A CA 1.250 53.331 52.037 0.074 0.000 0.636 353 A CB -0.996 18.045 19.000 0.067 0.000 0.815 353 A HN 0.291 nan 8.150 nan 0.000 0.449 354 F N 0.374 120.346 119.950 0.036 0.000 2.113 354 F HA -0.082 4.459 4.527 0.022 0.000 0.297 354 F C 1.820 177.688 175.800 0.113 0.000 1.103 354 F CA 1.661 59.704 58.000 0.071 0.000 1.248 354 F CB -0.408 38.574 39.000 -0.030 0.000 0.999 354 F HN 0.128 nan 8.300 nan 0.000 0.475 355 L N 0.171 121.270 121.223 -0.207 0.000 2.083 355 L HA -0.206 4.148 4.340 0.022 0.000 0.209 355 L C 2.222 178.985 176.870 -0.179 0.000 1.083 355 L CA 1.216 55.879 54.840 -0.295 0.000 0.752 355 L CB -0.865 41.153 42.059 -0.068 0.000 0.899 355 L HN 0.126 nan 8.230 nan 0.000 0.433 356 D N 0.439 120.786 120.400 -0.090 0.000 2.108 356 D HA -0.226 4.428 4.640 0.022 0.000 0.190 356 D C 2.223 178.467 176.300 -0.093 0.000 0.995 356 D CA 1.795 55.756 54.000 -0.065 0.000 0.834 356 D CB -0.243 40.537 40.800 -0.033 0.000 0.967 356 D HN 0.308 nan 8.370 nan 0.000 0.446 357 A N 1.118 123.882 122.820 -0.094 0.000 1.917 357 A HA -0.143 4.191 4.320 0.022 0.000 0.219 357 A C 2.333 179.754 177.584 -0.271 0.000 1.182 357 A CA 2.790 54.722 52.037 -0.175 0.000 0.633 357 A CB -0.884 18.052 19.000 -0.106 0.000 0.819 357 A HN 0.269 nan 8.150 nan 0.000 0.448 358 A N -0.242 122.483 122.820 -0.159 0.000 1.940 358 A HA 0.081 4.415 4.320 0.022 0.000 0.219 358 A C 2.502 180.165 177.584 0.131 0.000 1.176 358 A CA 2.358 54.389 52.037 -0.010 0.000 0.631 358 A CB -1.010 17.775 19.000 -0.358 0.000 0.814 358 A HN 1.098 nan 8.150 nan 0.000 0.446 359 A N -0.337 122.484 122.820 0.002 0.000 1.855 359 A HA -0.163 4.171 4.320 0.022 0.000 0.215 359 A C 1.924 179.487 177.584 -0.035 0.000 1.191 359 A CA 1.597 53.632 52.037 -0.003 0.000 0.613 359 A CB -0.641 18.340 19.000 -0.033 0.000 0.829 359 A HN 0.609 nan 8.150 nan 0.000 0.442 360 E N -0.424 119.734 120.200 -0.070 0.000 2.097 360 E HA -0.197 4.166 4.350 0.022 0.000 0.196 360 E C 1.863 178.412 176.600 -0.086 0.000 1.000 360 E CA 1.408 57.756 56.400 -0.086 0.000 0.804 360 E CB -0.310 29.323 29.700 -0.111 0.000 0.740 360 E HN 0.693 nan 8.360 nan 0.000 0.454 361 I N 0.699 121.208 120.570 -0.101 0.000 2.439 361 I HA -0.196 3.987 4.170 0.022 0.000 0.251 361 I C 2.407 178.556 176.117 0.053 0.000 1.139 361 I CA 0.527 61.786 61.300 -0.069 0.000 1.438 361 I CB 0.007 37.879 38.000 -0.215 0.000 1.085 361 I HN 0.119 nan 8.210 nan 0.000 0.427 362 I N 0.791 121.392 120.570 0.051 0.000 2.916 362 I HA -0.260 3.923 4.170 0.022 0.000 0.267 362 I C 2.104 178.153 176.117 -0.112 0.000 1.263 362 I CA 1.264 62.499 61.300 -0.107 0.000 1.471 362 I CB 0.068 37.779 38.000 -0.482 0.000 1.089 362 I HN 0.052 nan 8.210 nan 0.000 0.468 363 K N 0.120 120.478 120.400 -0.071 0.000 2.354 363 K HA 0.246 4.579 4.320 0.022 0.000 0.194 363 K C 0.402 176.978 176.600 -0.039 0.000 1.038 363 K CA 0.089 56.339 56.287 -0.062 0.000 1.052 363 K CB 0.097 32.560 32.500 -0.062 0.000 0.861 363 K HN 0.161 nan 8.250 nan 0.000 0.535 364 L N 1.545 122.750 121.223 -0.029 0.000 2.467 364 L HA 0.135 4.488 4.340 0.022 0.000 0.270 364 L C 0.313 177.177 176.870 -0.008 0.000 1.205 364 L CA -0.324 54.501 54.840 -0.025 0.000 0.828 364 L CB 0.275 42.312 42.059 -0.036 0.000 1.101 364 L HN 0.096 nan 8.230 nan 0.000 0.479 365 N N 2.519 121.211 118.700 -0.013 0.000 3.170 365 N HA 0.148 4.902 4.740 0.022 0.000 0.305 365 N C -0.700 174.795 175.510 -0.025 0.000 1.499 365 N CA -0.368 52.677 53.050 -0.008 0.000 1.110 365 N CB 0.093 38.577 38.487 -0.004 0.000 1.390 365 N HN 0.330 nan 8.380 nan 0.000 0.508 366 L N 1.868 123.073 121.223 -0.029 0.000 2.499 366 L HA 0.115 4.468 4.340 0.022 0.000 0.273 366 L C 0.255 177.049 176.870 -0.127 0.000 1.195 366 L CA 0.728 55.528 54.840 -0.068 0.000 0.882 366 L CB -0.012 42.010 42.059 -0.062 0.000 1.133 366 L HN 0.508 nan 8.230 nan 0.000 0.483 367 S N 3.220 118.812 115.700 -0.179 0.000 2.546 367 S HA 0.822 5.305 4.470 0.022 0.000 0.272 367 S C -0.639 173.756 174.600 -0.342 0.000 1.140 367 S CA -0.241 57.739 58.200 -0.366 0.000 0.920 367 S CB 2.031 65.004 63.200 -0.377 0.000 1.083 367 S HN 0.834 nan 8.310 nan 0.000 0.476 368 A N 2.976 125.524 122.820 -0.454 0.000 3.409 368 A HA 0.490 4.823 4.320 0.022 0.000 0.282 368 A C -0.753 176.743 177.584 -0.146 0.000 1.064 368 A CA -0.806 51.107 52.037 -0.208 0.000 0.889 368 A CB -0.395 18.553 19.000 -0.086 0.000 1.251 368 A HN 0.806 nan 8.150 nan 0.000 0.538 369 W N 1.726 123.053 121.300 0.045 0.000 2.193 369 W HA 0.346 5.020 4.660 0.023 0.000 0.338 369 W C 1.121 177.652 176.519 0.019 0.000 1.310 369 W CA 0.607 57.970 57.345 0.030 0.000 1.243 369 W CB 0.822 30.298 29.460 0.027 0.000 1.165 369 W HN 0.650 nan 8.180 nan 0.000 0.566 370 S N 2.016 117.873 115.700 0.261 0.000 2.693 370 S HA 0.267 4.750 4.470 0.022 0.000 0.276 370 S C 0.009 174.672 174.600 0.105 0.000 1.192 370 S CA -0.992 57.253 58.200 0.076 0.000 0.994 370 S CB 0.485 63.653 63.200 -0.053 0.000 1.012 370 S HN 0.588 nan 8.310 nan 0.000 0.550 371 H N 0.150 119.300 119.070 0.133 0.000 2.852 371 H HA 0.387 4.957 4.556 0.022 0.000 0.362 371 H C -2.424 172.910 175.328 0.009 0.000 1.122 371 H CA -1.436 54.685 56.048 0.121 0.000 1.419 371 H CB -0.508 29.410 29.762 0.259 0.000 1.401 371 H HN 0.480 nan 8.280 nan 0.000 0.609 372 P HA 0.082 nan 4.420 nan 0.000 0.282 372 P C -0.992 176.176 177.300 -0.219 0.000 1.287 372 P CA -0.785 62.242 63.100 -0.121 0.000 0.792 372 P CB 0.752 32.302 31.700 -0.250 0.000 1.163 373 Q N -0.138 119.545 119.800 -0.194 0.000 2.307 373 Q HA 0.328 4.682 4.340 0.022 0.000 0.261 373 Q C -1.276 174.565 176.000 -0.265 0.000 1.051 373 Q CA 0.371 56.102 55.803 -0.120 0.000 0.911 373 Q CB -0.615 28.098 28.738 -0.042 0.000 1.227 373 Q HN 0.159 nan 8.270 nan 0.000 0.418 374 F N 2.207 122.161 119.950 0.006 0.000 2.420 374 F HA 0.188 4.729 4.527 0.022 0.000 0.352 374 F C 1.013 176.806 175.800 -0.011 0.000 1.108 374 F CA -0.746 57.240 58.000 -0.023 0.000 1.162 374 F CB 0.683 39.644 39.000 -0.065 0.000 1.118 374 F HN 0.688 nan 8.300 nan 0.000 0.510 375 E N 0.000 120.279 120.200 0.132 0.000 2.725 375 E HA 0.000 4.363 4.350 0.022 0.000 0.291 375 E CA 0.000 56.447 56.400 0.077 0.000 0.976 375 E CB 0.000 29.727 29.700 0.044 0.000 0.812 375 E HN 0.000 nan 8.360 nan 0.000 0.440