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 2h5y_1_C DATA FIRST_RESID 2 DATA SEQUENCE TAPVTVFAAA SLKESMDEAA TAYEKATGTP VRVSYAASSA LARQIEQGAP DATA SEQUENCE ADVFLSADLE WMDYLQQHGL VLPAQRHNLL GNTLVLVAPA SSKLRVDPRA DATA SEQUENCE PGAIAKALGE NGRLAVGQTA SVPAGKYAAA ALRKLGQWDS VSNRLAESES DATA SEQUENCE VRAALMLVSR GEAPLGIVYG SDARADAKVR VVATFPDDSH DAIVYPVAAL DATA SEQUENCE KNSNNPATAA FVSWLGSKPA KAIFARRGFS LK 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.694 174.700 -0.009 0.000 1.109 2 T CA 0.000 62.096 62.100 -0.007 0.000 1.349 2 T CB 0.000 68.860 68.868 -0.014 0.000 0.612 3 A N 4.415 127.231 122.820 -0.008 0.000 2.374 3 A HA 0.966 5.285 4.320 -0.003 0.000 0.317 3 A C -2.975 174.596 177.584 -0.021 0.000 1.094 3 A CA -2.040 49.989 52.037 -0.014 0.000 0.765 3 A CB 1.028 20.020 19.000 -0.014 0.000 1.268 3 A HN 0.680 nan 8.150 nan 0.000 0.438 4 P HA 0.240 nan 4.420 nan 0.000 0.271 4 P C -0.532 176.723 177.300 -0.075 0.000 1.216 4 P CA -0.065 63.005 63.100 -0.050 0.000 0.771 4 P CB 0.652 32.325 31.700 -0.046 0.000 0.864 5 V N 4.157 123.994 119.914 -0.128 0.000 2.455 5 V HA 0.098 4.216 4.120 -0.003 0.000 0.273 5 V C 0.630 176.600 176.094 -0.207 0.000 1.045 5 V CA 0.304 62.490 62.300 -0.189 0.000 0.976 5 V CB 0.355 31.972 31.823 -0.344 0.000 0.993 5 V HN 0.527 nan 8.190 nan 0.000 0.475 6 T N 5.621 120.094 114.554 -0.136 0.000 2.728 6 T HA 0.431 4.779 4.350 -0.003 0.000 0.296 6 T C -0.138 174.518 174.700 -0.073 0.000 0.940 6 T CA -0.184 61.867 62.100 -0.083 0.000 1.013 6 T CB 0.939 69.772 68.868 -0.057 0.000 0.912 6 T HN 0.374 nan 8.240 nan 0.000 0.484 7 V N 4.952 124.861 119.914 -0.008 0.000 2.417 7 V HA 0.458 4.576 4.120 -0.003 0.000 0.291 7 V C -0.693 175.591 176.094 0.316 0.000 1.024 7 V CA -0.955 61.392 62.300 0.080 0.000 0.861 7 V CB 1.169 32.992 31.823 -0.000 0.000 0.985 7 V HN 0.683 nan 8.190 nan 0.000 0.436 8 F N 3.541 123.517 119.950 0.044 0.000 2.385 8 F HA 0.763 5.286 4.527 -0.008 0.000 0.360 8 F C 0.522 176.428 175.800 0.177 0.000 1.122 8 F CA -1.233 56.817 58.000 0.084 0.000 1.090 8 F CB 1.379 40.471 39.000 0.154 0.000 1.150 8 F HN 0.550 nan 8.300 nan 0.000 0.472 9 A N 2.723 125.628 122.820 0.141 0.000 2.356 9 A HA 0.801 5.119 4.320 -0.003 0.000 0.310 9 A C -0.335 177.407 177.584 0.263 0.000 1.075 9 A CA -0.730 51.405 52.037 0.163 0.000 0.746 9 A CB 0.866 19.951 19.000 0.141 0.000 1.221 9 A HN 0.912 nan 8.150 nan 0.000 0.443 10 A N 1.298 124.268 122.820 0.251 0.000 2.609 10 A HA 0.389 4.707 4.320 -0.003 0.000 0.232 10 A C 1.645 179.459 177.584 0.383 0.000 1.041 10 A CA 0.619 52.824 52.037 0.280 0.000 0.753 10 A CB -0.324 18.837 19.000 0.268 0.000 0.966 10 A HN 2.270 nan 8.150 nan 0.000 0.510 11 A N 2.346 125.354 122.820 0.312 0.000 1.958 11 A HA -0.180 4.138 4.320 -0.003 0.000 0.221 11 A C 2.351 180.085 177.584 0.251 0.000 1.178 11 A CA 2.637 54.834 52.037 0.266 0.000 0.642 11 A CB -1.203 17.903 19.000 0.176 0.000 0.816 11 A HN 1.865 nan 8.150 nan 0.000 0.453 12 S N -0.465 115.459 115.700 0.374 0.000 2.507 12 S HA 0.051 4.519 4.470 -0.003 0.000 0.235 12 S C 1.295 176.162 174.600 0.445 0.000 0.988 12 S CA 1.125 59.592 58.200 0.446 0.000 0.944 12 S CB -0.485 63.126 63.200 0.685 0.000 0.762 12 S HN 0.471 nan 8.310 nan 0.000 0.526 13 L N 0.298 121.742 121.223 0.367 0.000 2.611 13 L HA 0.259 4.597 4.340 -0.003 0.000 0.229 13 L C 2.235 179.199 176.870 0.157 0.000 1.137 13 L CA -0.074 54.940 54.840 0.291 0.000 0.901 13 L CB -0.205 42.027 42.059 0.289 0.000 1.098 13 L HN 0.186 nan 8.230 nan 0.000 0.456 14 K N 1.640 121.940 120.400 -0.168 0.000 2.015 14 K HA -0.265 4.053 4.320 -0.003 0.000 0.220 14 K C 1.720 178.149 176.600 -0.285 0.000 1.055 14 K CA 2.189 58.039 56.287 -0.727 0.000 0.951 14 K CB -0.032 32.164 32.500 -0.507 0.000 0.725 14 K HN 0.192 nan 8.250 nan 0.000 0.449 15 E N -0.245 119.912 120.200 -0.071 0.000 2.107 15 E HA -0.068 4.280 4.350 -0.003 0.000 0.191 15 E C 2.036 178.651 176.600 0.025 0.000 0.982 15 E CA 1.414 57.809 56.400 -0.009 0.000 0.809 15 E CB -0.188 29.523 29.700 0.018 0.000 0.756 15 E HN 0.560 nan 8.360 nan 0.000 0.459 16 S N 0.199 115.935 115.700 0.060 0.000 2.371 16 S HA -0.139 4.329 4.470 -0.003 0.000 0.224 16 S C 2.018 176.549 174.600 -0.114 0.000 1.029 16 S CA 1.062 59.209 58.200 -0.089 0.000 0.978 16 S CB -0.207 62.965 63.200 -0.048 0.000 0.833 16 S HN 0.108 nan 8.310 nan 0.000 0.466 17 M N 2.289 121.989 119.600 0.166 0.000 2.254 17 M HA 0.080 4.558 4.480 -0.003 0.000 0.265 17 M C 1.047 177.524 176.300 0.295 0.000 1.066 17 M CA 1.199 56.693 55.300 0.324 0.000 1.123 17 M CB -0.774 32.124 32.600 0.497 0.000 1.388 17 M HN 0.111 nan 8.290 nan 0.000 0.425 18 D N 0.091 120.647 120.400 0.261 0.000 2.104 18 D HA -0.212 4.426 4.640 -0.003 0.000 0.194 18 D C 1.884 178.259 176.300 0.125 0.000 0.994 18 D CA 1.557 55.675 54.000 0.195 0.000 0.830 18 D CB -0.236 40.638 40.800 0.123 0.000 0.959 18 D HN 0.585 nan 8.370 nan 0.000 0.452 19 E N 0.172 120.416 120.200 0.072 0.000 2.077 19 E HA -0.158 4.190 4.350 -0.003 0.000 0.193 19 E C 1.975 178.639 176.600 0.107 0.000 0.989 19 E CA 1.070 57.500 56.400 0.050 0.000 0.800 19 E CB -0.015 29.676 29.700 -0.015 0.000 0.746 19 E HN 0.177 nan 8.360 nan 0.000 0.452 20 A N 1.179 124.069 122.820 0.116 0.000 1.902 20 A HA -0.121 4.197 4.320 -0.003 0.000 0.217 20 A C 2.398 180.215 177.584 0.389 0.000 1.181 20 A CA 1.832 54.084 52.037 0.358 0.000 0.623 20 A CB -0.814 18.414 19.000 0.380 0.000 0.818 20 A HN 0.423 nan 8.150 nan 0.000 0.443 21 A N -1.002 121.984 122.820 0.278 0.000 1.902 21 A HA -0.108 4.210 4.320 -0.003 0.000 0.217 21 A C 2.321 179.969 177.584 0.106 0.000 1.181 21 A CA 2.374 54.509 52.037 0.163 0.000 0.623 21 A CB -1.287 17.772 19.000 0.099 0.000 0.818 21 A HN 0.433 nan 8.150 nan 0.000 0.443 22 T N 0.160 114.775 114.554 0.101 0.000 2.737 22 T HA 0.015 4.363 4.350 -0.003 0.000 0.265 22 T C 2.239 176.969 174.700 0.050 0.000 1.038 22 T CA 1.571 63.707 62.100 0.061 0.000 1.144 22 T CB -0.442 68.461 68.868 0.059 0.000 0.866 22 T HN 0.594 nan 8.240 nan 0.000 0.434 23 A N 0.422 123.307 122.820 0.110 0.000 1.902 23 A HA -0.087 4.231 4.320 -0.003 0.000 0.217 23 A C 2.100 179.663 177.584 -0.035 0.000 1.181 23 A CA 1.424 53.543 52.037 0.136 0.000 0.623 23 A CB -1.016 18.192 19.000 0.347 0.000 0.818 23 A HN 0.549 nan 8.150 nan 0.000 0.443 24 Y N 0.492 120.557 120.300 -0.392 0.000 2.145 24 Y HA -0.213 4.332 4.550 -0.008 0.000 0.286 24 Y C 2.372 178.040 175.900 -0.387 0.000 1.145 24 Y CA 2.213 59.830 58.100 -0.804 0.000 1.148 24 Y CB -0.310 37.727 38.460 -0.706 0.000 0.981 24 Y HN 0.531 nan 8.280 nan 0.000 0.507 25 E N 0.078 120.158 120.200 -0.200 0.000 2.106 25 E HA -0.258 4.090 4.350 -0.003 0.000 0.192 25 E C 2.275 178.756 176.600 -0.199 0.000 0.984 25 E CA 1.270 57.550 56.400 -0.200 0.000 0.806 25 E CB -0.199 29.455 29.700 -0.077 0.000 0.750 25 E HN 0.453 nan 8.360 nan 0.000 0.458 26 K N -0.098 120.220 120.400 -0.137 0.000 2.097 26 K HA -0.126 4.192 4.320 -0.003 0.000 0.206 26 K C 1.841 178.363 176.600 -0.130 0.000 1.049 26 K CA 1.223 57.454 56.287 -0.094 0.000 0.933 26 K CB -0.092 32.389 32.500 -0.031 0.000 0.717 26 K HN 0.150 nan 8.250 nan 0.000 0.442 27 A N -0.071 122.621 122.820 -0.212 0.000 2.021 27 A HA -0.037 4.281 4.320 -0.003 0.000 0.216 27 A C 1.825 179.240 177.584 -0.282 0.000 1.163 27 A CA 1.536 53.459 52.037 -0.191 0.000 0.676 27 A CB -0.103 18.805 19.000 -0.154 0.000 0.818 27 A HN 0.561 nan 8.150 nan 0.000 0.453 28 T N -7.080 107.202 114.554 -0.455 0.000 2.969 28 T HA 0.430 4.779 4.350 -0.003 0.000 0.258 28 T C 1.425 175.948 174.700 -0.295 0.000 0.962 28 T CA 1.100 62.930 62.100 -0.450 0.000 0.903 28 T CB 0.392 68.746 68.868 -0.856 0.000 1.177 28 T HN 1.653 nan 8.240 nan 0.000 0.511 29 G N 1.313 109.955 108.800 -0.262 0.000 2.199 29 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.254 29 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.254 29 G C 0.189 175.007 174.900 -0.136 0.000 0.982 29 G CA 0.243 45.250 45.100 -0.155 0.000 0.632 29 G HN 0.764 nan 8.290 nan 0.000 0.529 30 T N 3.938 118.379 114.554 -0.188 0.000 2.729 30 T HA 0.527 4.875 4.350 -0.003 0.000 0.296 30 T C -2.173 172.509 174.700 -0.030 0.000 0.928 30 T CA -0.688 61.370 62.100 -0.072 0.000 1.045 30 T CB 2.015 70.904 68.868 0.035 0.000 0.902 30 T HN 0.151 nan 8.240 nan 0.000 0.500 31 P HA 0.354 nan 4.420 nan 0.000 0.274 31 P C -0.978 176.289 177.300 -0.055 0.000 1.231 31 P CA -0.483 62.597 63.100 -0.033 0.000 0.790 31 P CB 0.638 32.317 31.700 -0.034 0.000 0.951 32 V N 2.821 122.684 119.914 -0.085 0.000 2.577 32 V HA 0.473 4.591 4.120 -0.003 0.000 0.303 32 V C 0.049 176.068 176.094 -0.125 0.000 1.042 32 V CA -0.601 61.577 62.300 -0.203 0.000 0.872 32 V CB 1.770 33.395 31.823 -0.330 0.000 0.998 32 V HN 0.453 nan 8.190 nan 0.000 0.423 33 R N 3.801 124.227 120.500 -0.124 0.000 2.360 33 R HA 0.745 5.083 4.340 -0.003 0.000 0.318 33 R C -1.618 174.639 176.300 -0.071 0.000 0.950 33 R CA -0.315 55.748 56.100 -0.062 0.000 0.837 33 R CB 1.651 31.931 30.300 -0.033 0.000 1.165 33 R HN 0.543 nan 8.270 nan 0.000 0.458 34 V N 3.070 122.934 119.914 -0.083 0.000 2.483 34 V HA 0.459 4.577 4.120 -0.003 0.000 0.295 34 V C -0.200 175.684 176.094 -0.351 0.000 1.035 34 V CA -0.655 61.516 62.300 -0.215 0.000 0.896 34 V CB 1.823 33.493 31.823 -0.255 0.000 0.986 34 V HN 0.777 nan 8.190 nan 0.000 0.447 35 S N 2.979 118.418 115.700 -0.434 0.000 2.482 35 S HA 0.774 5.242 4.470 -0.003 0.000 0.303 35 S C -1.316 172.888 174.600 -0.660 0.000 1.091 35 S CA -0.404 57.517 58.200 -0.465 0.000 1.057 35 S CB 1.054 63.932 63.200 -0.537 0.000 1.031 35 S HN 0.545 nan 8.310 nan 0.000 0.485 36 Y N 1.012 121.256 120.300 -0.094 0.000 2.429 36 Y HA 0.807 5.352 4.550 -0.008 0.000 0.342 36 Y C 0.369 176.221 175.900 -0.080 0.000 1.004 36 Y CA -0.554 57.524 58.100 -0.037 0.000 1.075 36 Y CB 1.810 40.283 38.460 0.021 0.000 1.214 36 Y HN 0.863 nan 8.280 nan 0.000 0.455 37 A N 0.772 123.655 122.820 0.106 0.000 2.511 37 A HA 0.794 5.112 4.320 -0.003 0.000 0.293 37 A C -1.366 176.251 177.584 0.056 0.000 1.098 37 A CA -0.574 51.483 52.037 0.033 0.000 0.643 37 A CB -0.194 18.757 19.000 -0.082 0.000 1.302 37 A HN 1.064 nan 8.150 nan 0.000 0.446 38 A N 0.306 123.127 122.820 0.001 0.000 2.531 38 A HA 0.462 4.780 4.320 -0.003 0.000 0.236 38 A C 1.334 178.879 177.584 -0.066 0.000 1.062 38 A CA 0.696 52.724 52.037 -0.016 0.000 0.760 38 A CB -0.357 18.600 19.000 -0.072 0.000 0.995 38 A HN 1.511 nan 8.150 nan 0.000 0.501 39 S N 1.206 116.889 115.700 -0.027 0.000 2.387 39 S HA -0.219 4.249 4.470 -0.003 0.000 0.230 39 S C 2.338 176.689 174.600 -0.414 0.000 1.035 39 S CA 1.918 60.132 58.200 0.022 0.000 1.014 39 S CB -0.460 62.791 63.200 0.086 0.000 0.836 39 S HN 1.072 nan 8.310 nan 0.000 0.466 40 S N 2.583 117.710 115.700 -0.954 0.000 2.348 40 S HA -0.080 4.388 4.470 -0.003 0.000 0.221 40 S C 2.136 176.118 174.600 -1.030 0.000 1.033 40 S CA 0.994 58.075 58.200 -1.866 0.000 1.010 40 S CB -0.869 61.666 63.200 -1.107 0.000 0.891 40 S HN 0.557 nan 8.310 nan 0.000 0.442 41 A N 2.175 124.681 122.820 -0.524 0.000 1.877 41 A HA 0.086 4.404 4.320 -0.003 0.000 0.216 41 A C 2.368 179.787 177.584 -0.275 0.000 1.186 41 A CA 1.519 53.363 52.037 -0.321 0.000 0.620 41 A CB -0.966 17.913 19.000 -0.202 0.000 0.822 41 A HN 0.514 nan 8.150 nan 0.000 0.443 42 L N -0.852 120.235 121.223 -0.228 0.000 2.046 42 L HA -0.216 4.122 4.340 -0.003 0.000 0.208 42 L C 3.125 179.844 176.870 -0.252 0.000 1.077 42 L CA 1.146 55.909 54.840 -0.128 0.000 0.747 42 L CB -0.597 41.539 42.059 0.128 0.000 0.896 42 L HN 0.454 nan 8.230 nan 0.000 0.432 43 A N 0.061 122.616 122.820 -0.441 0.000 1.902 43 A HA -0.198 4.120 4.320 -0.003 0.000 0.217 43 A C 2.387 179.892 177.584 -0.132 0.000 1.181 43 A CA 1.439 53.247 52.037 -0.381 0.000 0.623 43 A CB -0.471 18.484 19.000 -0.075 0.000 0.818 43 A HN 0.312 nan 8.150 nan 0.000 0.443 44 R N -0.696 119.681 120.500 -0.206 0.000 2.096 44 R HA -0.160 4.178 4.340 -0.003 0.000 0.235 44 R C 2.464 178.734 176.300 -0.049 0.000 1.127 44 R CA 1.701 57.758 56.100 -0.072 0.000 0.968 44 R CB -0.341 29.876 30.300 -0.138 0.000 0.861 44 R HN 0.690 nan 8.270 nan 0.000 0.440 45 Q N 0.351 120.116 119.800 -0.059 0.000 2.084 45 Q HA -0.121 4.217 4.340 -0.003 0.000 0.202 45 Q C 2.153 178.173 176.000 0.032 0.000 0.978 45 Q CA 1.355 57.168 55.803 0.018 0.000 0.844 45 Q CB -0.073 28.711 28.738 0.076 0.000 0.898 45 Q HN 0.366 nan 8.270 nan 0.000 0.426 46 I N 0.655 121.220 120.570 -0.009 0.000 2.202 46 I HA -0.266 3.902 4.170 -0.003 0.000 0.242 46 I C 2.542 178.601 176.117 -0.097 0.000 1.091 46 I CA 1.125 62.361 61.300 -0.107 0.000 1.368 46 I CB -0.383 37.472 38.000 -0.241 0.000 1.058 46 I HN 0.316 nan 8.210 nan 0.000 0.410 47 E N 1.215 121.364 120.200 -0.084 0.000 2.130 47 E HA -0.298 4.050 4.350 -0.003 0.000 0.196 47 E C 1.809 178.342 176.600 -0.112 0.000 0.998 47 E CA 1.510 57.825 56.400 -0.142 0.000 0.806 47 E CB -0.023 29.578 29.700 -0.166 0.000 0.738 47 E HN 0.589 nan 8.360 nan 0.000 0.459 48 Q N -1.315 118.448 119.800 -0.063 0.000 2.365 48 Q HA 0.117 4.455 4.340 -0.003 0.000 0.203 48 Q C 0.709 176.690 176.000 -0.031 0.000 0.929 48 Q CA 0.390 56.169 55.803 -0.040 0.000 0.948 48 Q CB 0.903 29.628 28.738 -0.021 0.000 1.043 48 Q HN 0.506 nan 8.270 nan 0.000 0.505 49 G N 0.206 108.980 108.800 -0.043 0.000 2.168 49 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.197 49 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.197 49 G C 0.193 175.068 174.900 -0.041 0.000 0.997 49 G CA -0.283 44.792 45.100 -0.042 0.000 0.658 49 G HN 0.457 nan 8.290 nan 0.000 0.513 50 A N 1.305 124.111 122.820 -0.024 0.000 2.548 50 A HA 0.529 4.847 4.320 -0.003 0.000 0.247 50 A C -0.759 176.737 177.584 -0.147 0.000 1.067 50 A CA 0.111 52.147 52.037 -0.002 0.000 0.757 50 A CB 0.129 19.237 19.000 0.180 0.000 0.996 50 A HN 0.266 nan 8.150 nan 0.000 0.504 51 P HA 0.250 nan 4.420 nan 0.000 0.225 51 P C 0.013 177.137 177.300 -0.293 0.000 1.768 51 P CA 0.297 63.298 63.100 -0.166 0.000 0.943 51 P CB -0.343 31.306 31.700 -0.084 0.000 1.936 52 A N 1.285 123.771 122.820 -0.555 0.000 2.407 52 A HA 0.182 4.501 4.320 -0.003 0.000 0.248 52 A C 1.081 178.464 177.584 -0.336 0.000 1.082 52 A CA -0.127 51.468 52.037 -0.736 0.000 0.785 52 A CB 0.348 18.528 19.000 -1.368 0.000 1.020 52 A HN 0.155 nan 8.150 nan 0.000 0.489 53 D N 0.134 120.402 120.400 -0.221 0.000 2.262 53 D HA 0.139 4.777 4.640 -0.003 0.000 0.212 53 D C 0.015 176.299 176.300 -0.028 0.000 0.964 53 D CA 1.265 55.205 54.000 -0.099 0.000 0.875 53 D CB 0.396 41.151 40.800 -0.075 0.000 0.996 53 D HN 0.241 nan 8.370 nan 0.000 0.497 54 V N 1.069 120.981 119.914 -0.003 0.000 2.789 54 V HA 0.357 4.475 4.120 -0.003 0.000 0.311 54 V C -1.244 174.973 176.094 0.206 0.000 1.073 54 V CA -0.977 61.396 62.300 0.121 0.000 0.921 54 V CB 2.837 34.784 31.823 0.208 0.000 1.009 54 V HN -0.091 nan 8.190 nan 0.000 0.426 55 F N 5.240 125.218 119.950 0.047 0.000 2.507 55 F HA 0.846 5.370 4.527 -0.005 0.000 0.325 55 F C -1.304 174.552 175.800 0.093 0.000 1.116 55 F CA -1.415 56.639 58.000 0.090 0.000 0.930 55 F CB 1.662 40.712 39.000 0.082 0.000 1.146 55 F HN 0.293 nan 8.300 nan 0.000 0.447 56 L N 4.954 125.971 121.223 -0.342 0.000 2.349 56 L HA 0.506 4.844 4.340 -0.003 0.000 0.278 56 L C -0.159 176.266 176.870 -0.741 0.000 0.996 56 L CA -0.323 54.248 54.840 -0.449 0.000 0.825 56 L CB 1.755 43.739 42.059 -0.125 0.000 1.243 56 L HN 0.623 nan 8.230 nan 0.000 0.412 57 S N 1.409 116.639 115.700 -0.783 0.000 2.593 57 S HA 0.719 5.187 4.470 -0.003 0.000 0.297 57 S C 0.904 175.325 174.600 -0.299 0.000 1.112 57 S CA 0.000 57.865 58.200 -0.558 0.000 1.043 57 S CB 1.720 64.683 63.200 -0.395 0.000 1.054 57 S HN 0.681 nan 8.310 nan 0.000 0.516 58 A N 2.258 124.909 122.820 -0.281 0.000 2.238 58 A HA 0.275 4.593 4.320 -0.003 0.000 0.208 58 A C 0.185 177.557 177.584 -0.353 0.000 1.177 58 A CA 0.532 52.121 52.037 -0.746 0.000 0.804 58 A CB -0.550 18.255 19.000 -0.326 0.000 0.823 58 A HN 0.891 nan 8.150 nan 0.000 0.482 59 D N -2.988 117.357 120.400 -0.091 0.000 2.596 59 D HA 0.315 4.953 4.640 -0.003 0.000 0.262 59 D C 0.316 176.640 176.300 0.039 0.000 1.210 59 D CA -0.697 53.322 54.000 0.032 0.000 0.873 59 D CB 0.108 40.893 40.800 -0.024 0.000 1.408 59 D HN -0.108 nan 8.370 nan 0.000 0.441 60 L N -0.015 121.231 121.223 0.038 0.000 2.156 60 L HA 0.017 4.355 4.340 -0.003 0.000 0.208 60 L C 2.133 179.023 176.870 0.034 0.000 1.095 60 L CA 0.867 55.729 54.840 0.037 0.000 0.770 60 L CB -0.294 41.782 42.059 0.029 0.000 0.914 60 L HN 0.513 nan 8.230 nan 0.000 0.439 61 E N -0.392 119.781 120.200 -0.045 0.000 2.085 61 E HA -0.253 4.095 4.350 -0.003 0.000 0.194 61 E C 2.024 178.528 176.600 -0.161 0.000 0.994 61 E CA 1.675 57.972 56.400 -0.171 0.000 0.801 61 E CB -0.138 29.354 29.700 -0.346 0.000 0.743 61 E HN 0.513 nan 8.360 nan 0.000 0.453 62 W N -0.104 121.258 121.300 0.102 0.000 2.467 62 W HA -0.070 4.590 4.660 -0.001 0.000 0.275 62 W C 2.295 179.043 176.519 0.382 0.000 1.239 62 W CA 0.099 57.571 57.345 0.212 0.000 1.266 62 W CB -0.013 29.580 29.460 0.221 0.000 1.112 62 W HN 0.128 nan 8.180 nan 0.000 0.576 63 M N 0.534 120.428 119.600 0.489 0.000 2.156 63 M HA -0.140 4.338 4.480 -0.003 0.000 0.264 63 M C 1.361 177.828 176.300 0.280 0.000 1.067 63 M CA 1.875 57.422 55.300 0.411 0.000 1.131 63 M CB -0.732 32.000 32.600 0.220 0.000 1.368 63 M HN -0.244 nan 8.290 nan 0.000 0.416 64 D N -1.005 119.505 120.400 0.183 0.000 2.123 64 D HA -0.230 4.408 4.640 -0.003 0.000 0.196 64 D C 1.864 178.251 176.300 0.144 0.000 0.992 64 D CA 1.461 55.527 54.000 0.111 0.000 0.833 64 D CB -0.621 40.203 40.800 0.039 0.000 0.954 64 D HN 0.517 nan 8.370 nan 0.000 0.455 65 Y N 1.310 121.647 120.300 0.063 0.000 2.128 65 Y HA -0.177 4.371 4.550 -0.004 0.000 0.284 65 Y C 2.215 178.262 175.900 0.244 0.000 1.154 65 Y CA 1.423 59.592 58.100 0.116 0.000 1.149 65 Y CB -0.366 38.171 38.460 0.128 0.000 0.976 65 Y HN -0.069 nan 8.280 nan 0.000 0.505 66 L N -0.015 121.409 121.223 0.336 0.000 2.093 66 L HA -0.235 4.103 4.340 -0.003 0.000 0.208 66 L C 2.628 179.560 176.870 0.103 0.000 1.085 66 L CA 1.740 56.692 54.840 0.187 0.000 0.755 66 L CB -0.713 41.470 42.059 0.207 0.000 0.904 66 L HN 0.341 nan 8.230 nan 0.000 0.435 67 Q N 0.277 120.141 119.800 0.106 0.000 2.061 67 Q HA -0.279 4.059 4.340 -0.003 0.000 0.204 67 Q C 2.211 178.204 176.000 -0.011 0.000 0.984 67 Q CA 1.868 57.702 55.803 0.052 0.000 0.846 67 Q CB -0.005 28.766 28.738 0.056 0.000 0.902 67 Q HN 0.523 nan 8.270 nan 0.000 0.421 68 Q N -0.922 118.841 119.800 -0.062 0.000 2.170 68 Q HA -0.160 4.178 4.340 -0.003 0.000 0.203 68 Q C 1.663 177.501 176.000 -0.269 0.000 0.976 68 Q CA 1.024 56.725 55.803 -0.170 0.000 0.858 68 Q CB 0.012 28.614 28.738 -0.225 0.000 0.907 68 Q HN 0.519 nan 8.270 nan 0.000 0.433 69 H N -1.098 117.854 119.070 -0.196 0.000 2.547 69 H HA 0.089 4.643 4.556 -0.003 0.000 0.266 69 H C 1.088 176.355 175.328 -0.101 0.000 0.988 69 H CA 0.926 56.863 56.048 -0.185 0.000 1.147 69 H CB 0.478 30.077 29.762 -0.271 0.000 1.365 69 H HN 0.477 nan 8.280 nan 0.000 0.589 70 G N 1.002 109.807 108.800 0.009 0.000 2.143 70 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.248 70 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.248 70 G C 0.958 175.869 174.900 0.018 0.000 0.991 70 G CA 0.475 45.579 45.100 0.007 0.000 0.689 70 G HN 0.432 nan 8.290 nan 0.000 0.522 71 L N -0.976 120.265 121.223 0.030 0.000 2.590 71 L HA 0.383 4.722 4.340 -0.003 0.000 0.227 71 L C 0.598 177.487 176.870 0.032 0.000 1.099 71 L CA 0.196 55.046 54.840 0.017 0.000 0.872 71 L CB 0.735 42.794 42.059 -0.000 0.000 1.088 71 L HN 0.133 nan 8.230 nan 0.000 0.479 72 V N 1.061 121.006 119.914 0.053 0.000 2.577 72 V HA 0.351 4.469 4.120 -0.003 0.000 0.303 72 V C -0.190 175.937 176.094 0.055 0.000 1.042 72 V CA -0.589 61.754 62.300 0.071 0.000 0.872 72 V CB 2.525 34.419 31.823 0.119 0.000 0.998 72 V HN 0.008 nan 8.190 nan 0.000 0.423 73 L N 6.424 127.676 121.223 0.049 0.000 2.334 73 L HA 0.355 4.693 4.340 -0.003 0.000 0.277 73 L C -1.359 175.540 176.870 0.048 0.000 1.075 73 L CA -1.608 53.256 54.840 0.039 0.000 0.804 73 L CB 1.587 43.666 42.059 0.032 0.000 1.174 73 L HN 0.408 nan 8.230 nan 0.000 0.438 74 P HA -0.228 nan 4.420 nan 0.000 0.216 74 P C 1.250 178.580 177.300 0.049 0.000 1.154 74 P CA 1.480 64.605 63.100 0.042 0.000 0.865 74 P CB 0.234 31.952 31.700 0.029 0.000 0.789 75 A N -0.765 122.080 122.820 0.041 0.000 2.070 75 A HA -0.193 4.125 4.320 -0.003 0.000 0.220 75 A C 1.975 179.594 177.584 0.058 0.000 1.159 75 A CA 1.352 53.413 52.037 0.040 0.000 0.656 75 A CB -0.943 18.074 19.000 0.028 0.000 0.800 75 A HN 0.270 nan 8.150 nan 0.000 0.453 76 Q N -0.787 119.055 119.800 0.070 0.000 2.247 76 Q HA 0.089 4.427 4.340 -0.003 0.000 0.204 76 Q C 0.042 176.115 176.000 0.121 0.000 0.872 76 Q CA -0.172 55.685 55.803 0.090 0.000 0.951 76 Q CB 0.364 29.146 28.738 0.073 0.000 1.099 76 Q HN 0.803 nan 8.270 nan 0.000 0.501 77 R N -0.104 120.467 120.500 0.118 0.000 2.778 77 R HA 0.629 4.967 4.340 -0.003 0.000 0.277 77 R C -0.920 175.481 176.300 0.168 0.000 0.977 77 R CA -0.764 55.396 56.100 0.099 0.000 0.950 77 R CB 1.057 31.396 30.300 0.066 0.000 1.165 77 R HN 0.023 nan 8.270 nan 0.000 0.474 78 H N -1.879 117.189 119.070 -0.003 0.000 2.987 78 H HA 0.303 4.857 4.556 -0.004 0.000 0.316 78 H C -1.676 173.635 175.328 -0.029 0.000 1.380 78 H CA -1.127 54.912 56.048 -0.015 0.000 1.160 78 H CB 0.831 30.579 29.762 -0.024 0.000 1.865 78 H HN 0.730 nan 8.280 nan 0.000 0.521 79 N N 0.786 119.491 118.700 0.007 0.000 2.470 79 N HA 0.179 4.918 4.740 -0.003 0.000 0.268 79 N C -0.071 175.404 175.510 -0.059 0.000 1.136 79 N CA -0.411 52.611 53.050 -0.048 0.000 0.961 79 N CB 1.530 40.027 38.487 0.016 0.000 1.067 79 N HN 0.459 nan 8.380 nan 0.000 0.468 80 L N 3.439 124.560 121.223 -0.170 0.000 2.433 80 L HA 0.413 4.751 4.340 -0.003 0.000 0.200 80 L C -0.525 176.218 176.870 -0.213 0.000 1.059 80 L CA 0.976 55.681 54.840 -0.224 0.000 0.835 80 L CB 0.365 42.180 42.059 -0.406 0.000 1.076 80 L HN 0.446 nan 8.230 nan 0.000 0.481 81 L N -1.494 119.621 121.223 -0.180 0.000 2.359 81 L HA 0.771 5.109 4.340 -0.003 0.000 0.256 81 L C -0.324 176.590 176.870 0.074 0.000 1.026 81 L CA -0.579 54.160 54.840 -0.169 0.000 0.828 81 L CB 1.752 43.481 42.059 -0.550 0.000 1.406 81 L HN 0.016 nan 8.230 nan 0.000 0.413 82 G N -0.406 108.457 108.800 0.106 0.000 2.818 82 G HA2 0.625 4.583 3.960 -0.003 0.000 0.286 82 G HA3 0.625 4.583 3.960 -0.003 0.000 0.286 82 G C -1.743 173.254 174.900 0.162 0.000 1.364 82 G CA -0.279 44.918 45.100 0.163 0.000 0.938 82 G HN 0.446 nan 8.290 nan 0.000 0.490 83 N N -1.879 116.875 118.700 0.091 0.000 3.106 83 N HA 0.640 5.378 4.740 -0.003 0.000 0.253 83 N C -0.675 174.850 175.510 0.025 0.000 1.506 83 N CA -0.098 52.956 53.050 0.006 0.000 0.876 83 N CB 2.069 40.515 38.487 -0.069 0.000 1.452 83 N HN 0.795 nan 8.380 nan 0.000 0.542 84 T N -1.489 113.095 114.554 0.051 0.000 2.940 84 T HA 0.702 5.050 4.350 -0.003 0.000 0.288 84 T C -0.751 174.044 174.700 0.159 0.000 1.045 84 T CA -0.625 61.545 62.100 0.116 0.000 1.018 84 T CB 1.577 70.505 68.868 0.101 0.000 1.151 84 T HN 0.255 nan 8.240 nan 0.000 0.529 85 L N 2.434 123.752 121.223 0.159 0.000 2.313 85 L HA 0.727 5.065 4.340 -0.003 0.000 0.283 85 L C -0.573 176.497 176.870 0.333 0.000 1.013 85 L CA -0.606 54.300 54.840 0.109 0.000 0.816 85 L CB 1.395 43.312 42.059 -0.237 0.000 1.236 85 L HN 0.828 nan 8.230 nan 0.000 0.419 86 V N 2.676 122.753 119.914 0.271 0.000 2.914 86 V HA 0.634 4.752 4.120 -0.003 0.000 0.314 86 V C -0.868 175.396 176.094 0.284 0.000 1.084 86 V CA -1.064 61.381 62.300 0.241 0.000 0.963 86 V CB 1.860 33.742 31.823 0.099 0.000 1.025 86 V HN 0.677 nan 8.190 nan 0.000 0.432 87 L N 4.568 125.872 121.223 0.134 0.000 2.264 87 L HA 0.772 5.110 4.340 -0.003 0.000 0.289 87 L C -0.082 176.811 176.870 0.038 0.000 1.044 87 L CA 0.070 54.978 54.840 0.113 0.000 0.807 87 L CB 1.272 43.286 42.059 -0.075 0.000 1.192 87 L HN 0.901 nan 8.230 nan 0.000 0.425 88 V N 2.509 122.453 119.914 0.050 0.000 2.919 88 V HA 1.064 5.182 4.120 -0.003 0.000 0.316 88 V C -0.242 175.861 176.094 0.016 0.000 1.077 88 V CA -0.235 62.079 62.300 0.023 0.000 0.977 88 V CB 1.208 33.044 31.823 0.022 0.000 1.039 88 V HN 1.033 nan 8.190 nan 0.000 0.441 89 A N 2.744 125.568 122.820 0.007 0.000 2.527 89 A HA 1.017 5.336 4.320 -0.003 0.000 0.293 89 A C -3.133 174.452 177.584 0.002 0.000 1.117 89 A CA -2.113 49.926 52.037 0.004 0.000 0.723 89 A CB 1.686 20.685 19.000 -0.001 0.000 1.313 89 A HN 0.724 nan 8.150 nan 0.000 0.411 90 P HA 0.172 nan 4.420 nan 0.000 0.266 90 P C 0.919 178.219 177.300 -0.001 0.000 1.193 90 P CA 0.874 63.975 63.100 0.000 0.000 0.770 90 P CB 0.646 32.345 31.700 -0.001 0.000 0.836 91 A N 2.736 125.555 122.820 -0.001 0.000 1.986 91 A HA -0.221 4.097 4.320 -0.003 0.000 0.220 91 A C 2.010 179.592 177.584 -0.003 0.000 1.171 91 A CA 2.453 54.489 52.037 -0.002 0.000 0.640 91 A CB -1.619 17.380 19.000 -0.002 0.000 0.811 91 A HN 0.622 nan 8.150 nan 0.000 0.451 92 S N -1.029 114.670 115.700 -0.003 0.000 2.527 92 S HA 0.125 4.593 4.470 -0.003 0.000 0.222 92 S C 0.985 175.583 174.600 -0.004 0.000 0.985 92 S CA 0.552 58.750 58.200 -0.003 0.000 0.921 92 S CB -0.572 62.626 63.200 -0.003 0.000 0.772 92 S HN 0.432 nan 8.310 nan 0.000 0.529 93 S N 1.400 117.097 115.700 -0.004 0.000 2.549 93 S HA 0.225 4.693 4.470 -0.003 0.000 0.286 93 S C 0.748 175.344 174.600 -0.007 0.000 1.314 93 S CA -0.431 57.766 58.200 -0.005 0.000 1.062 93 S CB 0.345 63.542 63.200 -0.005 0.000 0.865 93 S HN 0.243 nan 8.310 nan 0.000 0.498 94 K N 3.713 124.109 120.400 -0.007 0.000 2.372 94 K HA 0.261 4.579 4.320 -0.003 0.000 0.200 94 K C 0.046 176.640 176.600 -0.010 0.000 1.022 94 K CA -0.046 56.236 56.287 -0.008 0.000 1.125 94 K CB -0.195 32.300 32.500 -0.007 0.000 0.855 94 K HN 0.622 nan 8.250 nan 0.000 0.524 95 L N 1.955 123.172 121.223 -0.010 0.000 2.578 95 L HA -0.015 4.323 4.340 -0.003 0.000 0.279 95 L C 0.568 177.428 176.870 -0.017 0.000 1.227 95 L CA 0.576 55.408 54.840 -0.012 0.000 0.900 95 L CB 0.088 42.141 42.059 -0.011 0.000 1.144 95 L HN -0.124 nan 8.230 nan 0.000 0.496 96 R N 2.749 123.238 120.500 -0.019 0.000 2.387 96 R HA 0.647 4.985 4.340 -0.003 0.000 0.314 96 R C -1.342 174.941 176.300 -0.029 0.000 0.958 96 R CA -0.619 55.466 56.100 -0.025 0.000 0.846 96 R CB 2.083 32.370 30.300 -0.021 0.000 1.147 96 R HN 0.336 nan 8.270 nan 0.000 0.447 97 V N 2.611 122.499 119.914 -0.043 0.000 2.525 97 V HA 0.125 4.243 4.120 -0.003 0.000 0.299 97 V C -0.771 175.277 176.094 -0.076 0.000 1.034 97 V CA -0.914 61.355 62.300 -0.051 0.000 0.863 97 V CB 2.027 33.818 31.823 -0.054 0.000 0.999 97 V HN 0.631 nan 8.190 nan 0.000 0.423 98 D N 7.175 127.539 120.400 -0.060 0.000 2.347 98 D HA 0.350 4.988 4.640 -0.003 0.000 0.235 98 D C -1.371 174.885 176.300 -0.074 0.000 1.149 98 D CA -2.106 51.853 54.000 -0.068 0.000 0.850 98 D CB 2.232 43.010 40.800 -0.038 0.000 1.061 98 D HN 0.242 nan 8.370 nan 0.000 0.487 99 P HA -0.033 nan 4.420 nan 0.000 0.229 99 P C 1.029 178.336 177.300 0.011 0.000 1.160 99 P CA 0.501 63.527 63.100 -0.122 0.000 0.777 99 P CB 0.483 31.908 31.700 -0.458 0.000 0.814 100 R N -0.147 120.354 120.500 0.001 0.000 2.200 100 R HA 0.198 4.536 4.340 -0.003 0.000 0.208 100 R C 1.023 177.342 176.300 0.032 0.000 1.033 100 R CA 0.193 56.315 56.100 0.036 0.000 1.000 100 R CB -0.200 30.113 30.300 0.023 0.000 0.906 100 R HN 0.100 nan 8.270 nan 0.000 0.462 101 A N 2.909 125.738 122.820 0.016 0.000 2.409 101 A HA 0.267 4.585 4.320 -0.003 0.000 0.267 101 A C -2.231 175.368 177.584 0.025 0.000 1.127 101 A CA -1.459 50.587 52.037 0.015 0.000 0.795 101 A CB 0.031 19.032 19.000 0.003 0.000 1.061 101 A HN -0.066 nan 8.150 nan 0.000 0.502 102 P HA 0.127 nan 4.420 nan 0.000 0.256 102 P C 1.088 178.403 177.300 0.025 0.000 1.173 102 P CA 2.129 65.248 63.100 0.031 0.000 0.768 102 P CB 0.284 32.000 31.700 0.026 0.000 0.758 103 G N 3.407 112.226 108.800 0.031 0.000 2.162 103 G HA2 -0.339 3.619 3.960 -0.003 0.000 0.260 103 G HA3 -0.339 3.619 3.960 -0.003 0.000 0.260 103 G C 1.144 176.054 174.900 0.017 0.000 0.976 103 G CA 0.369 45.482 45.100 0.022 0.000 0.655 103 G HN 0.638 nan 8.290 nan 0.000 0.533 104 A N 0.064 122.895 122.820 0.018 0.000 1.898 104 A HA 0.286 4.604 4.320 -0.003 0.000 0.216 104 A C 2.361 179.951 177.584 0.009 0.000 1.181 104 A CA 1.763 53.805 52.037 0.008 0.000 0.620 104 A CB -0.308 18.692 19.000 -0.001 0.000 0.819 104 A HN 0.741 nan 8.150 nan 0.000 0.442 105 I N -0.151 120.435 120.570 0.026 0.000 2.163 105 I HA -0.305 3.863 4.170 -0.003 0.000 0.243 105 I C 3.005 179.136 176.117 0.023 0.000 1.085 105 I CA 1.191 62.513 61.300 0.037 0.000 1.347 105 I CB -0.420 37.633 38.000 0.089 0.000 1.044 105 I HN 0.362 nan 8.210 nan 0.000 0.408 106 A N 0.631 123.461 122.820 0.016 0.000 1.877 106 A HA -0.271 4.048 4.320 -0.003 0.000 0.216 106 A C 2.398 179.979 177.584 -0.005 0.000 1.186 106 A CA 1.932 53.967 52.037 -0.003 0.000 0.620 106 A CB -0.608 18.386 19.000 -0.011 0.000 0.822 106 A HN 0.346 nan 8.150 nan 0.000 0.443 107 K N -0.310 120.090 120.400 -0.001 0.000 2.074 107 K HA -0.176 4.142 4.320 -0.003 0.000 0.209 107 K C 1.989 178.586 176.600 -0.004 0.000 1.048 107 K CA 1.418 57.703 56.287 -0.004 0.000 0.926 107 K CB -0.321 32.177 32.500 -0.002 0.000 0.713 107 K HN 0.402 nan 8.250 nan 0.000 0.444 108 A N 0.816 123.635 122.820 -0.002 0.000 2.121 108 A HA -0.024 4.294 4.320 -0.003 0.000 0.218 108 A C 1.833 179.415 177.584 -0.003 0.000 1.154 108 A CA 0.735 52.770 52.037 -0.003 0.000 0.679 108 A CB -0.339 18.659 19.000 -0.003 0.000 0.795 108 A HN 0.317 nan 8.150 nan 0.000 0.458 109 L N -0.920 120.301 121.223 -0.004 0.000 2.551 109 L HA 0.115 4.454 4.340 -0.003 0.000 0.228 109 L C 1.739 178.604 176.870 -0.009 0.000 1.153 109 L CA 0.244 55.080 54.840 -0.007 0.000 0.851 109 L CB -1.247 40.804 42.059 -0.013 0.000 0.959 109 L HN 0.598 nan 8.230 nan 0.000 0.451 110 G N 0.852 109.646 108.800 -0.009 0.000 2.578 110 G HA2 -0.412 3.546 3.960 -0.003 0.000 0.275 110 G HA3 -0.412 3.546 3.960 -0.003 0.000 0.275 110 G C 0.561 175.454 174.900 -0.012 0.000 1.271 110 G CA 0.661 45.756 45.100 -0.009 0.000 0.941 110 G HN 0.350 nan 8.290 nan 0.000 0.564 111 E N -0.178 120.015 120.200 -0.011 0.000 2.072 111 E HA -0.011 4.337 4.350 -0.003 0.000 0.190 111 E C 2.066 178.656 176.600 -0.015 0.000 0.982 111 E CA 1.502 57.895 56.400 -0.013 0.000 0.803 111 E CB -0.024 29.670 29.700 -0.011 0.000 0.755 111 E HN 0.528 nan 8.360 nan 0.000 0.453 112 N N -0.922 117.769 118.700 -0.015 0.000 2.170 112 N HA 0.157 4.895 4.740 -0.003 0.000 0.222 112 N C -0.213 175.287 175.510 -0.017 0.000 1.218 112 N CA -0.117 52.923 53.050 -0.016 0.000 0.889 112 N CB 1.563 40.042 38.487 -0.014 0.000 1.083 112 N HN -0.002 nan 8.380 nan 0.000 0.520 113 G N 0.807 109.597 108.800 -0.016 0.000 2.491 113 G HA2 0.197 4.155 3.960 -0.003 0.000 0.238 113 G HA3 0.197 4.155 3.960 -0.003 0.000 0.238 113 G C -0.143 174.745 174.900 -0.020 0.000 1.277 113 G CA -0.139 44.952 45.100 -0.014 0.000 0.851 113 G HN 0.164 nan 8.290 nan 0.000 0.573 114 R N 0.128 120.617 120.500 -0.018 0.000 2.732 114 R HA 0.367 4.705 4.340 -0.003 0.000 0.278 114 R C -0.964 175.327 176.300 -0.015 0.000 0.976 114 R CA -1.037 55.049 56.100 -0.024 0.000 0.963 114 R CB 1.992 32.278 30.300 -0.024 0.000 1.150 114 R HN 0.378 nan 8.270 nan 0.000 0.478 115 L N 2.300 123.512 121.223 -0.019 0.000 2.283 115 L HA 0.327 4.665 4.340 -0.003 0.000 0.287 115 L C -0.403 176.470 176.870 0.005 0.000 1.073 115 L CA 0.093 54.934 54.840 0.001 0.000 0.822 115 L CB 0.882 42.944 42.059 0.006 0.000 1.186 115 L HN 0.740 nan 8.230 nan 0.000 0.436 116 A N 6.029 128.855 122.820 0.010 0.000 2.444 116 A HA 0.560 4.878 4.320 -0.003 0.000 0.273 116 A C -0.268 177.321 177.584 0.008 0.000 1.136 116 A CA 0.165 52.206 52.037 0.006 0.000 0.799 116 A CB -0.278 18.724 19.000 0.004 0.000 1.081 116 A HN 0.992 nan 8.150 nan 0.000 0.509 117 V N 0.521 120.439 119.914 0.007 0.000 3.078 117 V HA 0.927 5.045 4.120 -0.003 0.000 0.311 117 V C 0.491 176.584 176.094 -0.002 0.000 1.138 117 V CA -0.434 61.867 62.300 0.002 0.000 1.007 117 V CB 1.083 32.927 31.823 0.036 0.000 1.045 117 V HN 1.276 nan 8.190 nan 0.000 0.432 118 G N 0.893 109.680 108.800 -0.022 0.000 2.554 118 G HA2 0.316 4.274 3.960 -0.003 0.000 0.238 118 G HA3 0.316 4.274 3.960 -0.003 0.000 0.238 118 G C -0.023 174.887 174.900 0.017 0.000 1.259 118 G CA -0.151 44.944 45.100 -0.008 0.000 0.843 118 G HN 0.962 nan 8.290 nan 0.000 0.582 119 Q N 0.052 119.865 119.800 0.021 0.000 2.320 119 Q HA -0.074 4.264 4.340 -0.003 0.000 0.311 119 Q C 1.707 177.735 176.000 0.047 0.000 1.083 119 Q CA 0.973 56.798 55.803 0.037 0.000 1.001 119 Q CB 0.545 29.299 28.738 0.026 0.000 1.074 119 Q HN 0.724 nan 8.270 nan 0.000 0.379 120 T N 0.606 115.204 114.554 0.073 0.000 3.023 120 T HA 0.066 4.414 4.350 -0.003 0.000 0.266 120 T C 1.464 176.171 174.700 0.011 0.000 1.093 120 T CA 0.722 62.858 62.100 0.058 0.000 1.129 120 T CB 0.124 69.087 68.868 0.158 0.000 0.899 120 T HN 0.503 nan 8.240 nan 0.000 0.491 121 A N 0.772 123.614 122.820 0.036 0.000 2.072 121 A HA 0.332 4.650 4.320 -0.003 0.000 0.216 121 A C 2.353 179.971 177.584 0.057 0.000 1.156 121 A CA 1.076 53.125 52.037 0.020 0.000 0.701 121 A CB -0.168 18.853 19.000 0.035 0.000 0.816 121 A HN 0.504 nan 8.150 nan 0.000 0.458 122 S N -1.884 113.883 115.700 0.112 0.000 2.882 122 S HA 0.181 4.649 4.470 -0.003 0.000 0.258 122 S C 0.250 175.021 174.600 0.284 0.000 1.081 122 S CA -0.134 58.233 58.200 0.277 0.000 0.886 122 S CB 0.350 63.691 63.200 0.235 0.000 0.855 122 S HN 0.110 nan 8.310 nan 0.000 0.467 123 V N 4.824 124.801 119.914 0.105 0.000 2.479 123 V HA 0.134 4.252 4.120 -0.003 0.000 0.281 123 V C -1.598 174.540 176.094 0.073 0.000 1.031 123 V CA -1.177 61.159 62.300 0.060 0.000 1.038 123 V CB 0.833 32.669 31.823 0.023 0.000 0.981 123 V HN 0.172 nan 8.190 nan 0.000 0.478 124 P HA -0.276 nan 4.420 nan 0.000 0.217 124 P C 1.597 178.925 177.300 0.047 0.000 1.162 124 P CA 2.287 65.397 63.100 0.017 0.000 0.901 124 P CB 0.169 31.974 31.700 0.174 0.000 0.793 125 A N -0.700 122.235 122.820 0.191 0.000 1.940 125 A HA -0.120 4.198 4.320 -0.003 0.000 0.219 125 A C 2.474 180.026 177.584 -0.053 0.000 1.176 125 A CA 2.154 54.177 52.037 -0.025 0.000 0.631 125 A CB -1.829 16.923 19.000 -0.413 0.000 0.814 125 A HN 0.314 nan 8.150 nan 0.000 0.446 126 G N -0.549 108.229 108.800 -0.036 0.000 2.408 126 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.217 126 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.217 126 G C 1.684 176.550 174.900 -0.057 0.000 1.150 126 G CA 0.971 46.055 45.100 -0.026 0.000 0.776 126 G HN 0.565 nan 8.290 nan 0.000 0.542 127 K N -0.592 119.740 120.400 -0.113 0.000 2.062 127 K HA -0.027 4.291 4.320 -0.003 0.000 0.205 127 K C 2.222 178.702 176.600 -0.199 0.000 1.051 127 K CA 0.988 57.158 56.287 -0.195 0.000 0.941 127 K CB -0.267 32.071 32.500 -0.270 0.000 0.719 127 K HN 0.362 nan 8.250 nan 0.000 0.440 128 Y N 0.950 121.188 120.300 -0.102 0.000 2.181 128 Y HA -0.185 4.363 4.550 -0.004 0.000 0.288 128 Y C 2.488 178.229 175.900 -0.264 0.000 1.146 128 Y CA 1.053 59.053 58.100 -0.167 0.000 1.164 128 Y CB -0.789 37.527 38.460 -0.240 0.000 0.982 128 Y HN 0.075 nan 8.280 nan 0.000 0.515 129 A N 0.244 122.998 122.820 -0.109 0.000 1.865 129 A HA -0.174 4.144 4.320 -0.003 0.000 0.217 129 A C 2.507 180.007 177.584 -0.140 0.000 1.191 129 A CA 2.189 54.088 52.037 -0.230 0.000 0.623 129 A CB -1.363 17.553 19.000 -0.140 0.000 0.826 129 A HN 0.404 nan 8.150 nan 0.000 0.444 130 A N -0.201 122.554 122.820 -0.108 0.000 1.908 130 A HA 0.104 4.422 4.320 -0.003 0.000 0.218 130 A C 2.539 179.927 177.584 -0.327 0.000 1.181 130 A CA 2.409 54.269 52.037 -0.294 0.000 0.627 130 A CB -1.148 17.562 19.000 -0.483 0.000 0.818 130 A HN 1.147 nan 8.150 nan 0.000 0.445 131 A N -0.128 122.569 122.820 -0.206 0.000 1.865 131 A HA 0.082 4.400 4.320 -0.003 0.000 0.217 131 A C 2.554 180.111 177.584 -0.046 0.000 1.191 131 A CA 2.524 54.490 52.037 -0.118 0.000 0.623 131 A CB -1.170 17.823 19.000 -0.012 0.000 0.826 131 A HN 1.142 nan 8.150 nan 0.000 0.444 132 A N -0.454 122.348 122.820 -0.030 0.000 1.902 132 A HA -0.023 4.295 4.320 -0.003 0.000 0.217 132 A C 2.181 179.803 177.584 0.063 0.000 1.181 132 A CA 1.486 53.527 52.037 0.006 0.000 0.623 132 A CB -0.664 18.200 19.000 -0.227 0.000 0.818 132 A HN 0.477 nan 8.150 nan 0.000 0.443 133 L N -1.072 120.178 121.223 0.045 0.000 2.079 133 L HA -0.229 4.110 4.340 -0.003 0.000 0.210 133 L C 2.903 179.913 176.870 0.235 0.000 1.081 133 L CA 1.583 56.562 54.840 0.233 0.000 0.752 133 L CB -0.449 41.868 42.059 0.430 0.000 0.896 133 L HN 0.372 nan 8.230 nan 0.000 0.433 134 R N -0.081 120.472 120.500 0.088 0.000 2.062 134 R HA -0.155 4.183 4.340 -0.003 0.000 0.229 134 R C 2.346 178.681 176.300 0.058 0.000 1.128 134 R CA 1.221 57.342 56.100 0.035 0.000 0.960 134 R CB -0.215 29.979 30.300 -0.178 0.000 0.855 134 R HN 0.185 nan 8.270 nan 0.000 0.432 135 K N 0.401 120.827 120.400 0.044 0.000 2.147 135 K HA -0.113 4.205 4.320 -0.003 0.000 0.205 135 K C 1.375 178.026 176.600 0.086 0.000 1.049 135 K CA 0.978 57.297 56.287 0.054 0.000 0.936 135 K CB 0.143 32.673 32.500 0.049 0.000 0.722 135 K HN -0.012 nan 8.250 nan 0.000 0.446 136 L N -0.016 121.284 121.223 0.128 0.000 2.558 136 L HA 0.184 4.522 4.340 -0.003 0.000 0.225 136 L C 0.985 177.930 176.870 0.125 0.000 1.128 136 L CA 1.280 56.205 54.840 0.142 0.000 0.868 136 L CB -0.211 41.976 42.059 0.212 0.000 1.006 136 L HN 0.438 nan 8.230 nan 0.000 0.454 137 G N -0.377 108.501 108.800 0.129 0.000 2.225 137 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.264 137 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.264 137 G C 0.873 175.855 174.900 0.137 0.000 1.060 137 G CA 0.446 45.620 45.100 0.123 0.000 0.833 137 G HN 0.383 nan 8.290 nan 0.000 0.498 138 Q N -1.560 118.350 119.800 0.183 0.000 2.280 138 Q HA 0.110 4.448 4.340 -0.003 0.000 0.228 138 Q C 1.934 178.044 176.000 0.183 0.000 0.857 138 Q CA 0.039 55.941 55.803 0.165 0.000 0.939 138 Q CB 0.054 28.904 28.738 0.187 0.000 1.114 138 Q HN 0.824 nan 8.270 nan 0.000 0.514 139 W N 2.948 124.273 121.300 0.042 0.000 2.332 139 W HA -0.200 4.458 4.660 -0.004 0.000 0.321 139 W C 0.501 177.033 176.519 0.022 0.000 1.219 139 W CA 1.673 59.034 57.345 0.028 0.000 1.277 139 W CB 0.108 29.579 29.460 0.018 0.000 1.161 139 W HN 0.108 nan 8.180 nan 0.000 0.476 140 D N 0.286 120.682 120.400 -0.008 0.000 2.178 140 D HA -0.190 4.448 4.640 -0.003 0.000 0.201 140 D C 2.293 178.488 176.300 -0.176 0.000 0.980 140 D CA 2.057 55.970 54.000 -0.146 0.000 0.842 140 D CB -0.598 40.216 40.800 0.023 0.000 0.948 140 D HN 0.241 nan 8.370 nan 0.000 0.472 141 S N 0.293 115.934 115.700 -0.097 0.000 2.474 141 S HA -0.084 4.384 4.470 -0.003 0.000 0.235 141 S C 1.935 176.459 174.600 -0.126 0.000 0.997 141 S CA 1.104 59.256 58.200 -0.079 0.000 0.949 141 S CB -0.111 63.076 63.200 -0.022 0.000 0.766 141 S HN 0.262 nan 8.310 nan 0.000 0.517 142 V N -1.168 118.616 119.914 -0.216 0.000 3.485 142 V HA 0.300 4.418 4.120 -0.003 0.000 0.280 142 V C 2.079 177.913 176.094 -0.433 0.000 1.495 142 V CA 0.505 62.661 62.300 -0.240 0.000 1.018 142 V CB -0.363 31.375 31.823 -0.141 0.000 0.818 142 V HN 0.502 nan 8.190 nan 0.000 0.436 143 S N 1.923 117.166 115.700 -0.761 0.000 2.419 143 S HA -0.194 4.274 4.470 -0.003 0.000 0.235 143 S C 1.310 175.606 174.600 -0.507 0.000 1.019 143 S CA 2.188 59.720 58.200 -1.113 0.000 0.982 143 S CB -1.043 61.235 63.200 -1.536 0.000 0.789 143 S HN 0.738 nan 8.310 nan 0.000 0.490 144 N N 0.763 119.268 118.700 -0.325 0.000 2.270 144 N HA 0.251 4.989 4.740 -0.003 0.000 0.198 144 N C 0.497 175.924 175.510 -0.138 0.000 1.117 144 N CA -0.096 52.846 53.050 -0.180 0.000 0.845 144 N CB 0.306 38.715 38.487 -0.130 0.000 0.980 144 N HN 0.392 nan 8.380 nan 0.000 0.486 145 R N 0.402 120.804 120.500 -0.163 0.000 2.668 145 R HA 0.281 4.619 4.340 -0.003 0.000 0.435 145 R C -0.729 175.511 176.300 -0.099 0.000 1.059 145 R CA -0.216 55.819 56.100 -0.108 0.000 1.073 145 R CB 0.562 30.805 30.300 -0.096 0.000 1.401 145 R HN 0.069 nan 8.270 nan 0.000 0.590 146 L N 0.811 121.967 121.223 -0.111 0.000 2.375 146 L HA 0.501 4.839 4.340 -0.003 0.000 0.271 146 L C 0.508 177.357 176.870 -0.037 0.000 1.107 146 L CA -0.696 54.101 54.840 -0.072 0.000 0.806 146 L CB 1.400 43.417 42.059 -0.071 0.000 1.146 146 L HN 0.098 nan 8.230 nan 0.000 0.447 147 A N 2.736 125.545 122.820 -0.018 0.000 2.838 147 A HA 0.319 4.637 4.320 -0.003 0.000 0.337 147 A C -0.015 177.569 177.584 0.001 0.000 1.383 147 A CA -0.558 51.474 52.037 -0.009 0.000 0.985 147 A CB -0.318 18.678 19.000 -0.007 0.000 1.157 147 A HN 0.755 nan 8.150 nan 0.000 0.497 148 E N 1.021 121.225 120.200 0.006 0.000 2.384 148 E HA 0.343 4.691 4.350 -0.003 0.000 0.266 148 E C -0.224 176.382 176.600 0.010 0.000 1.012 148 E CA 0.318 56.728 56.400 0.018 0.000 0.901 148 E CB 0.690 30.409 29.700 0.031 0.000 0.967 148 E HN 0.543 nan 8.360 nan 0.000 0.435 149 S N 1.295 117.001 115.700 0.009 0.000 2.599 149 S HA 0.059 4.527 4.470 -0.003 0.000 0.287 149 S C 0.782 175.383 174.600 0.002 0.000 1.105 149 S CA -0.923 57.279 58.200 0.004 0.000 0.899 149 S CB 1.506 64.707 63.200 0.001 0.000 1.100 149 S HN 0.699 nan 8.310 nan 0.000 0.482 150 E N 0.544 120.744 120.200 -0.001 0.000 2.268 150 E HA -0.015 4.333 4.350 -0.003 0.000 0.195 150 E C 0.620 177.217 176.600 -0.005 0.000 0.995 150 E CA 0.879 57.275 56.400 -0.008 0.000 0.836 150 E CB 0.017 29.710 29.700 -0.012 0.000 0.763 150 E HN 0.474 nan 8.360 nan 0.000 0.491 151 S N -1.396 114.308 115.700 0.008 0.000 2.672 151 S HA 0.208 4.676 4.470 -0.003 0.000 0.271 151 S C 0.415 175.029 174.600 0.023 0.000 1.171 151 S CA -0.362 57.854 58.200 0.026 0.000 0.817 151 S CB 1.419 64.647 63.200 0.046 0.000 1.150 151 S HN -0.040 nan 8.310 nan 0.000 0.478 152 V N 1.281 121.219 119.914 0.040 0.000 2.515 152 V HA -0.066 4.052 4.120 -0.003 0.000 0.250 152 V C 2.394 178.497 176.094 0.015 0.000 1.058 152 V CA 1.673 63.966 62.300 -0.011 0.000 1.064 152 V CB -0.778 31.007 31.823 -0.063 0.000 0.675 152 V HN 0.797 nan 8.190 nan 0.000 0.461 153 R N 0.197 120.729 120.500 0.053 0.000 2.115 153 R HA 0.106 4.444 4.340 -0.003 0.000 0.226 153 R C 2.309 178.622 176.300 0.020 0.000 1.100 153 R CA 1.355 57.480 56.100 0.041 0.000 0.980 153 R CB -1.262 29.066 30.300 0.047 0.000 0.875 153 R HN 0.581 nan 8.270 nan 0.000 0.445 154 A N 1.150 123.980 122.820 0.017 0.000 1.902 154 A HA -0.069 4.249 4.320 -0.003 0.000 0.217 154 A C 2.364 179.950 177.584 0.003 0.000 1.181 154 A CA 1.796 53.838 52.037 0.008 0.000 0.623 154 A CB -0.572 18.432 19.000 0.006 0.000 0.818 154 A HN 0.311 nan 8.150 nan 0.000 0.443 155 A N -0.357 122.463 122.820 -0.001 0.000 1.883 155 A HA -0.078 4.240 4.320 -0.003 0.000 0.217 155 A C 2.149 179.730 177.584 -0.004 0.000 1.186 155 A CA 1.790 53.824 52.037 -0.006 0.000 0.624 155 A CB -0.721 18.267 19.000 -0.020 0.000 0.822 155 A HN 0.737 nan 8.150 nan 0.000 0.444 156 L N -0.543 120.678 121.223 -0.003 0.000 2.042 156 L HA -0.179 4.159 4.340 -0.003 0.000 0.210 156 L C 2.529 179.401 176.870 0.004 0.000 1.076 156 L CA 2.282 57.124 54.840 0.002 0.000 0.749 156 L CB -0.439 41.626 42.059 0.010 0.000 0.893 156 L HN 0.460 nan 8.230 nan 0.000 0.432 157 M N -1.433 118.170 119.600 0.005 0.000 2.149 157 M HA -0.243 4.235 4.480 -0.003 0.000 0.261 157 M C 2.184 178.485 176.300 0.002 0.000 1.064 157 M CA 1.687 56.989 55.300 0.003 0.000 1.102 157 M CB -0.412 32.190 32.600 0.003 0.000 1.369 157 M HN 0.312 nan 8.290 nan 0.000 0.408 158 L N -0.780 120.443 121.223 0.002 0.000 2.046 158 L HA -0.202 4.136 4.340 -0.003 0.000 0.208 158 L C 2.340 179.211 176.870 0.001 0.000 1.077 158 L CA 0.946 55.787 54.840 0.001 0.000 0.747 158 L CB -0.659 41.400 42.059 0.000 0.000 0.896 158 L HN 0.151 nan 8.230 nan 0.000 0.432 159 V N -1.602 118.313 119.914 0.003 0.000 2.379 159 V HA -0.229 3.889 4.120 -0.003 0.000 0.245 159 V C 2.610 178.706 176.094 0.003 0.000 1.044 159 V CA 1.746 64.048 62.300 0.004 0.000 1.036 159 V CB -0.179 31.648 31.823 0.007 0.000 0.664 159 V HN 0.396 nan 8.190 nan 0.000 0.453 160 S N -0.066 115.636 115.700 0.003 0.000 2.374 160 S HA -0.238 4.230 4.470 -0.003 0.000 0.227 160 S C 2.015 176.615 174.600 0.001 0.000 1.037 160 S CA 1.743 59.944 58.200 0.002 0.000 1.024 160 S CB -0.255 62.947 63.200 0.003 0.000 0.861 160 S HN 0.578 nan 8.310 nan 0.000 0.456 161 R N -0.248 120.252 120.500 0.001 0.000 2.310 161 R HA 0.183 4.521 4.340 -0.003 0.000 0.202 161 R C 1.483 177.783 176.300 -0.000 0.000 0.933 161 R CA 0.518 56.618 56.100 0.000 0.000 1.054 161 R CB -0.140 30.160 30.300 -0.000 0.000 0.985 161 R HN 0.510 nan 8.270 nan 0.000 0.489 162 G N 1.390 110.190 108.800 -0.000 0.000 2.153 162 G HA2 -0.327 3.631 3.960 -0.003 0.000 0.252 162 G HA3 -0.327 3.631 3.960 -0.003 0.000 0.252 162 G C 0.493 175.392 174.900 -0.002 0.000 0.994 162 G CA 0.591 45.691 45.100 -0.001 0.000 0.698 162 G HN 0.450 nan 8.290 nan 0.000 0.521 163 E N -0.303 119.897 120.200 -0.001 0.000 2.371 163 E HA 0.439 4.787 4.350 -0.003 0.000 0.194 163 E C 1.328 177.926 176.600 -0.003 0.000 1.012 163 E CA 0.774 57.173 56.400 -0.002 0.000 0.860 163 E CB 0.276 29.975 29.700 -0.002 0.000 0.811 163 E HN 0.827 nan 8.360 nan 0.000 0.502 164 A N 1.057 123.876 122.820 -0.001 0.000 2.356 164 A HA 0.360 4.678 4.320 -0.003 0.000 0.310 164 A C -2.157 175.428 177.584 0.001 0.000 1.075 164 A CA -1.423 50.614 52.037 -0.001 0.000 0.746 164 A CB 0.969 19.970 19.000 0.001 0.000 1.221 164 A HN -0.150 nan 8.150 nan 0.000 0.443 165 P HA 0.043 nan 4.420 nan 0.000 0.223 165 P C -0.001 177.302 177.300 0.005 0.000 1.151 165 P CA 0.905 64.005 63.100 0.001 0.000 0.787 165 P CB 0.296 31.995 31.700 -0.002 0.000 0.788 166 L N -1.936 119.293 121.223 0.010 0.000 2.424 166 L HA 0.757 5.095 4.340 -0.003 0.000 0.258 166 L C -0.095 176.792 176.870 0.028 0.000 0.995 166 L CA -0.858 53.995 54.840 0.021 0.000 0.821 166 L CB 2.483 44.559 42.059 0.029 0.000 1.383 166 L HN -0.119 nan 8.230 nan 0.000 0.410 167 G N 1.229 110.055 108.800 0.042 0.000 2.692 167 G HA2 0.711 4.669 3.960 -0.003 0.000 0.291 167 G HA3 0.711 4.669 3.960 -0.003 0.000 0.291 167 G C -1.771 173.172 174.900 0.073 0.000 1.423 167 G CA -0.444 44.680 45.100 0.041 0.000 0.843 167 G HN 0.376 nan 8.290 nan 0.000 0.486 168 I N 1.414 122.015 120.570 0.051 0.000 2.382 168 I HA 0.514 4.682 4.170 -0.003 0.000 0.286 168 I C 0.231 176.307 176.117 -0.067 0.000 1.002 168 I CA -0.889 60.445 61.300 0.056 0.000 1.135 168 I CB 1.548 39.556 38.000 0.014 0.000 1.288 168 I HN 0.483 nan 8.210 nan 0.000 0.448 169 V N 2.847 122.717 119.914 -0.073 0.000 3.105 169 V HA 0.566 4.684 4.120 -0.003 0.000 0.311 169 V C -1.009 174.953 176.094 -0.220 0.000 1.287 169 V CA -0.890 61.287 62.300 -0.206 0.000 1.066 169 V CB 1.607 33.380 31.823 -0.083 0.000 1.105 169 V HN 0.410 nan 8.190 nan 0.000 0.462 170 Y N 0.528 120.844 120.300 0.027 0.000 2.300 170 Y HA 0.612 5.160 4.550 -0.004 0.000 0.328 170 Y C 1.791 177.671 175.900 -0.033 0.000 1.270 170 Y CA 0.657 58.753 58.100 -0.007 0.000 1.352 170 Y CB 0.892 39.360 38.460 0.013 0.000 1.286 170 Y HN 0.853 nan 8.280 nan 0.000 0.536 171 G N 0.218 109.097 108.800 0.133 0.000 2.505 171 G HA2 -0.329 3.629 3.960 -0.003 0.000 0.220 171 G HA3 -0.329 3.629 3.960 -0.003 0.000 0.220 171 G C 1.661 176.532 174.900 -0.049 0.000 1.145 171 G CA 1.504 46.619 45.100 0.024 0.000 0.761 171 G HN 0.685 nan 8.290 nan 0.000 0.571 172 S N 0.589 116.197 115.700 -0.154 0.000 2.402 172 S HA -0.090 4.378 4.470 -0.003 0.000 0.229 172 S C 1.773 176.314 174.600 -0.098 0.000 1.021 172 S CA 1.563 59.580 58.200 -0.306 0.000 0.974 172 S CB -0.207 62.433 63.200 -0.933 0.000 0.800 172 S HN 0.347 nan 8.310 nan 0.000 0.484 173 D N 2.584 123.000 120.400 0.026 0.000 2.097 173 D HA 0.025 4.663 4.640 -0.003 0.000 0.195 173 D C 2.341 178.655 176.300 0.024 0.000 0.989 173 D CA 1.475 55.513 54.000 0.062 0.000 0.827 173 D CB -0.702 40.156 40.800 0.096 0.000 0.966 173 D HN 0.549 nan 8.370 nan 0.000 0.456 174 A N 1.189 124.019 122.820 0.016 0.000 1.908 174 A HA -0.222 4.096 4.320 -0.003 0.000 0.218 174 A C 2.196 179.778 177.584 -0.003 0.000 1.181 174 A CA 1.775 53.816 52.037 0.007 0.000 0.627 174 A CB -0.595 18.410 19.000 0.009 0.000 0.818 174 A HN 0.151 nan 8.150 nan 0.000 0.445 175 R N -0.325 120.164 120.500 -0.018 0.000 2.096 175 R HA -0.069 4.269 4.340 -0.003 0.000 0.235 175 R C 2.059 178.354 176.300 -0.009 0.000 1.127 175 R CA 1.342 57.429 56.100 -0.021 0.000 0.968 175 R CB -0.383 29.891 30.300 -0.043 0.000 0.861 175 R HN 0.419 nan 8.270 nan 0.000 0.440 176 A N -0.143 122.675 122.820 -0.003 0.000 2.172 176 A HA -0.074 4.244 4.320 -0.003 0.000 0.216 176 A C 0.143 177.731 177.584 0.008 0.000 1.154 176 A CA 0.977 53.019 52.037 0.009 0.000 0.701 176 A CB 0.048 19.063 19.000 0.025 0.000 0.789 176 A HN 0.373 nan 8.150 nan 0.000 0.465 177 D N -1.644 118.760 120.400 0.005 0.000 2.375 177 D HA 0.503 5.141 4.640 -0.003 0.000 0.241 177 D C 0.467 176.769 176.300 0.002 0.000 1.361 177 D CA 0.271 54.273 54.000 0.005 0.000 0.995 177 D CB 1.111 41.915 40.800 0.006 0.000 1.312 177 D HN -0.001 nan 8.370 nan 0.000 0.576 178 A N 3.766 126.586 122.820 0.001 0.000 2.216 178 A HA -0.073 4.245 4.320 -0.003 0.000 0.214 178 A C 1.665 179.250 177.584 0.000 0.000 1.160 178 A CA 0.766 52.803 52.037 0.000 0.000 0.725 178 A CB -0.101 18.899 19.000 -0.000 0.000 0.784 178 A HN 0.486 nan 8.150 nan 0.000 0.472 179 K N -0.153 120.248 120.400 0.001 0.000 2.486 179 K HA 0.069 4.387 4.320 -0.003 0.000 0.194 179 K C 0.568 177.168 176.600 0.001 0.000 1.033 179 K CA 0.745 57.032 56.287 0.001 0.000 1.004 179 K CB -0.175 32.325 32.500 0.001 0.000 0.798 179 K HN 0.537 nan 8.250 nan 0.000 0.495 180 V N -0.605 119.310 119.914 0.002 0.000 2.994 180 V HA 0.547 4.665 4.120 -0.003 0.000 0.318 180 V C -0.708 175.387 176.094 0.001 0.000 1.085 180 V CA -1.279 61.023 62.300 0.002 0.000 0.998 180 V CB 1.738 33.564 31.823 0.005 0.000 1.063 180 V HN 0.211 nan 8.190 nan 0.000 0.447 181 R N 1.077 121.577 120.500 -0.000 0.000 2.795 181 R HA 0.823 5.161 4.340 -0.003 0.000 0.275 181 R C -1.635 174.663 176.300 -0.003 0.000 0.981 181 R CA -0.886 55.213 56.100 -0.003 0.000 0.917 181 R CB 1.917 32.214 30.300 -0.005 0.000 1.202 181 R HN 0.509 nan 8.270 nan 0.000 0.469 182 V N 3.132 123.043 119.914 -0.005 0.000 2.439 182 V HA 0.021 4.139 4.120 -0.003 0.000 0.271 182 V C 1.050 177.131 176.094 -0.021 0.000 1.040 182 V CA -0.178 62.117 62.300 -0.008 0.000 1.002 182 V CB 1.295 33.114 31.823 -0.007 0.000 1.000 182 V HN 0.747 nan 8.190 nan 0.000 0.477 183 V N 4.161 124.056 119.914 -0.031 0.000 2.599 183 V HA 0.351 4.469 4.120 -0.003 0.000 0.245 183 V C 0.830 176.878 176.094 -0.076 0.000 1.046 183 V CA 1.439 63.711 62.300 -0.047 0.000 1.065 183 V CB 0.110 31.906 31.823 -0.045 0.000 0.703 183 V HN 0.956 nan 8.190 nan 0.000 0.464 184 A N -1.271 121.484 122.820 -0.109 0.000 2.605 184 A HA 0.632 4.950 4.320 -0.003 0.000 0.294 184 A C -0.563 176.920 177.584 -0.168 0.000 1.062 184 A CA -0.352 51.586 52.037 -0.165 0.000 0.682 184 A CB 1.198 20.035 19.000 -0.271 0.000 1.278 184 A HN 0.019 nan 8.150 nan 0.000 0.410 185 T N 1.782 116.263 114.554 -0.121 0.000 2.795 185 T HA 0.554 4.902 4.350 -0.003 0.000 0.282 185 T C -0.367 174.294 174.700 -0.064 0.000 0.980 185 T CA 0.181 62.261 62.100 -0.034 0.000 1.012 185 T CB -0.008 68.876 68.868 0.027 0.000 0.936 185 T HN 0.319 nan 8.240 nan 0.000 0.457 186 F N 4.970 124.972 119.950 0.088 0.000 2.529 186 F HA 0.244 4.769 4.527 -0.004 0.000 0.365 186 F C -1.345 174.525 175.800 0.118 0.000 1.102 186 F CA -1.780 56.295 58.000 0.125 0.000 1.271 186 F CB 0.212 39.328 39.000 0.192 0.000 1.120 186 F HN 0.337 nan 8.300 nan 0.000 0.579 187 P HA -0.000 nan 4.420 nan 0.000 0.268 187 P C -0.146 177.174 177.300 0.033 0.000 1.205 187 P CA -0.134 63.029 63.100 0.105 0.000 0.771 187 P CB 0.631 32.374 31.700 0.072 0.000 0.858 188 D N 0.936 121.316 120.400 -0.034 0.000 2.221 188 D HA -0.215 4.423 4.640 -0.003 0.000 0.204 188 D C 0.821 176.953 176.300 -0.279 0.000 0.982 188 D CA 1.205 55.106 54.000 -0.165 0.000 0.857 188 D CB -0.608 40.150 40.800 -0.070 0.000 0.934 188 D HN 0.393 nan 8.370 nan 0.000 0.475 189 D N 0.379 120.692 120.400 -0.146 0.000 2.340 189 D HA -0.040 4.598 4.640 -0.003 0.000 0.217 189 D C 1.185 177.435 176.300 -0.083 0.000 1.081 189 D CA 0.341 54.276 54.000 -0.108 0.000 0.842 189 D CB -0.223 40.550 40.800 -0.045 0.000 0.934 189 D HN 0.358 nan 8.370 nan 0.000 0.511 190 S N -0.530 115.116 115.700 -0.090 0.000 2.528 190 S HA 0.041 4.509 4.470 -0.003 0.000 0.219 190 S C 0.404 175.047 174.600 0.071 0.000 0.985 190 S CA -0.014 58.212 58.200 0.043 0.000 0.914 190 S CB -0.610 62.711 63.200 0.202 0.000 0.776 190 S HN 0.622 nan 8.310 nan 0.000 0.526 191 H N -1.930 117.174 119.070 0.057 0.000 3.017 191 H HA 0.696 5.250 4.556 -0.003 0.000 0.346 191 H C -1.851 173.538 175.328 0.101 0.000 1.286 191 H CA -1.135 54.960 56.048 0.078 0.000 1.120 191 H CB -0.243 29.580 29.762 0.102 0.000 1.860 191 H HN -0.170 nan 8.280 nan 0.000 0.542 192 D N 0.616 121.204 120.400 0.313 0.000 2.443 192 D HA 0.317 4.956 4.640 -0.003 0.000 0.239 192 D C 0.387 176.879 176.300 0.320 0.000 1.136 192 D CA 0.583 54.732 54.000 0.248 0.000 0.879 192 D CB 0.574 41.525 40.800 0.251 0.000 1.195 192 D HN 0.837 nan 8.370 nan 0.000 0.443 193 A N 2.834 125.738 122.820 0.141 0.000 2.584 193 A HA 0.000 4.318 4.320 -0.003 0.000 0.239 193 A C 0.560 178.206 177.584 0.104 0.000 1.043 193 A CA 0.120 52.213 52.037 0.093 0.000 0.756 193 A CB -0.330 18.703 19.000 0.055 0.000 0.963 193 A HN 0.558 nan 8.150 nan 0.000 0.511 194 I N 3.276 123.806 120.570 -0.066 0.000 2.421 194 I HA 0.196 4.365 4.170 -0.003 0.000 0.291 194 I C -0.407 175.689 176.117 -0.034 0.000 1.089 194 I CA 0.189 61.299 61.300 -0.317 0.000 1.354 194 I CB 0.459 38.144 38.000 -0.526 0.000 1.413 194 I HN 0.286 nan 8.210 nan 0.000 0.513 195 V N 7.357 127.290 119.914 0.032 0.000 2.588 195 V HA 0.307 4.425 4.120 -0.003 0.000 0.304 195 V C -0.929 175.165 176.094 -0.001 0.000 1.042 195 V CA -0.747 61.596 62.300 0.072 0.000 0.877 195 V CB 1.723 33.586 31.823 0.066 0.000 0.996 195 V HN 0.335 nan 8.190 nan 0.000 0.425 196 Y N 6.292 126.541 120.300 -0.084 0.000 2.491 196 Y HA 0.447 4.995 4.550 -0.003 0.000 0.334 196 Y C -2.123 173.655 175.900 -0.203 0.000 0.969 196 Y CA -2.851 55.159 58.100 -0.149 0.000 1.241 196 Y CB 1.412 39.734 38.460 -0.230 0.000 1.105 196 Y HN 0.419 nan 8.280 nan 0.000 0.503 197 P HA 0.191 nan 4.420 nan 0.000 0.282 197 P C -0.704 176.459 177.300 -0.229 0.000 1.249 197 P CA -0.215 62.797 63.100 -0.146 0.000 0.806 197 P CB 2.636 34.289 31.700 -0.079 0.000 0.984 198 V N 1.740 121.461 119.914 -0.322 0.000 2.715 198 V HA 0.827 4.946 4.120 -0.003 0.000 0.310 198 V C -0.947 175.047 176.094 -0.167 0.000 1.054 198 V CA -0.804 61.333 62.300 -0.271 0.000 0.928 198 V CB 1.456 33.081 31.823 -0.331 0.000 1.007 198 V HN 0.850 nan 8.190 nan 0.000 0.437 199 A N 4.668 127.479 122.820 -0.015 0.000 2.486 199 A HA 0.922 5.240 4.320 -0.003 0.000 0.300 199 A C -0.341 177.307 177.584 0.106 0.000 1.048 199 A CA -0.217 51.860 52.037 0.068 0.000 0.696 199 A CB 1.665 20.739 19.000 0.123 0.000 1.278 199 A HN 1.969 nan 8.150 nan 0.000 0.405 200 A N 1.753 124.634 122.820 0.101 0.000 2.409 200 A HA 0.570 4.888 4.320 -0.003 0.000 0.262 200 A C -0.015 177.613 177.584 0.073 0.000 1.113 200 A CA -0.122 51.969 52.037 0.091 0.000 0.790 200 A CB -0.301 18.750 19.000 0.085 0.000 1.046 200 A HN 0.861 nan 8.150 nan 0.000 0.496 201 L N 2.790 124.041 121.223 0.048 0.000 2.416 201 L HA 0.119 4.458 4.340 -0.003 0.000 0.272 201 L C 1.908 178.785 176.870 0.011 0.000 1.161 201 L CA -0.243 54.610 54.840 0.021 0.000 0.845 201 L CB 0.716 42.752 42.059 -0.038 0.000 1.119 201 L HN 1.007 nan 8.230 nan 0.000 0.464 202 K N 2.217 122.625 120.400 0.014 0.000 2.127 202 K HA -0.208 4.110 4.320 -0.003 0.000 0.208 202 K C 1.045 177.644 176.600 -0.003 0.000 1.047 202 K CA 1.740 58.033 56.287 0.011 0.000 0.927 202 K CB 0.138 32.644 32.500 0.011 0.000 0.716 202 K HN 0.621 nan 8.250 nan 0.000 0.450 203 N N 0.739 119.428 118.700 -0.018 0.000 2.398 203 N HA -0.048 4.690 4.740 -0.003 0.000 0.188 203 N C -0.161 175.329 175.510 -0.033 0.000 1.122 203 N CA 0.143 53.177 53.050 -0.026 0.000 0.866 203 N CB 0.422 38.886 38.487 -0.037 0.000 0.970 203 N HN 0.062 nan 8.380 nan 0.000 0.462 204 S N 1.195 116.876 115.700 -0.030 0.000 2.544 204 S HA -0.032 4.436 4.470 -0.003 0.000 0.290 204 S C 1.115 175.705 174.600 -0.017 0.000 1.276 204 S CA -0.311 57.870 58.200 -0.032 0.000 1.075 204 S CB -0.065 63.125 63.200 -0.017 0.000 0.849 204 S HN 0.567 nan 8.310 nan 0.000 0.494 205 N N 3.721 122.408 118.700 -0.022 0.000 2.280 205 N HA 0.020 4.758 4.740 -0.003 0.000 0.192 205 N C 0.017 175.523 175.510 -0.007 0.000 1.109 205 N CA -0.519 52.523 53.050 -0.012 0.000 0.855 205 N CB 0.068 38.546 38.487 -0.015 0.000 0.974 205 N HN 0.373 nan 8.380 nan 0.000 0.482 206 N N 1.667 120.363 118.700 -0.008 0.000 2.430 206 N HA 0.153 4.891 4.740 -0.003 0.000 0.265 206 N C -1.768 173.753 175.510 0.019 0.000 1.100 206 N CA -1.755 51.294 53.050 -0.001 0.000 0.961 206 N CB 1.503 39.983 38.487 -0.013 0.000 1.075 206 N HN 0.054 nan 8.380 nan 0.000 0.478 207 P HA 0.029 nan 4.420 nan 0.000 0.226 207 P C 0.301 177.637 177.300 0.060 0.000 1.153 207 P CA 0.634 63.756 63.100 0.036 0.000 0.777 207 P CB 0.333 32.051 31.700 0.029 0.000 0.794 208 A N -1.474 121.389 122.820 0.071 0.000 2.275 208 A HA 0.072 4.390 4.320 -0.003 0.000 0.212 208 A C 1.894 179.562 177.584 0.140 0.000 1.201 208 A CA 0.736 52.848 52.037 0.125 0.000 0.843 208 A CB -1.211 17.879 19.000 0.150 0.000 0.873 208 A HN 0.067 nan 8.150 nan 0.000 0.492 209 T N 0.543 115.154 114.554 0.095 0.000 2.652 209 T HA -0.128 4.220 4.350 -0.003 0.000 0.267 209 T C 2.298 177.088 174.700 0.150 0.000 1.039 209 T CA 1.805 63.971 62.100 0.109 0.000 1.153 209 T CB -0.330 68.578 68.868 0.067 0.000 0.863 209 T HN 0.590 nan 8.240 nan 0.000 0.428 210 A N 1.380 124.270 122.820 0.118 0.000 1.902 210 A HA 0.155 4.473 4.320 -0.003 0.000 0.217 210 A C 2.648 180.312 177.584 0.133 0.000 1.181 210 A CA 1.884 53.987 52.037 0.110 0.000 0.623 210 A CB -1.134 17.916 19.000 0.083 0.000 0.818 210 A HN 0.511 nan 8.150 nan 0.000 0.443 211 A N -1.117 121.803 122.820 0.166 0.000 1.908 211 A HA -0.076 4.242 4.320 -0.003 0.000 0.218 211 A C 2.055 179.796 177.584 0.261 0.000 1.181 211 A CA 1.712 53.886 52.037 0.229 0.000 0.627 211 A CB -0.727 18.434 19.000 0.269 0.000 0.818 211 A HN 0.712 nan 8.150 nan 0.000 0.445 212 F N 0.663 120.599 119.950 -0.024 0.000 2.102 212 F HA -0.126 4.403 4.527 0.003 0.000 0.298 212 F C 2.231 178.007 175.800 -0.039 0.000 1.105 212 F CA 1.843 59.609 58.000 -0.389 0.000 1.239 212 F CB -0.406 38.271 39.000 -0.539 0.000 0.991 212 F HN 0.020 nan 8.300 nan 0.000 0.474 213 V N -0.643 119.247 119.914 -0.039 0.000 2.343 213 V HA -0.286 3.832 4.120 -0.003 0.000 0.247 213 V C 2.682 178.761 176.094 -0.024 0.000 1.051 213 V CA 2.015 64.273 62.300 -0.071 0.000 1.036 213 V CB -1.041 30.837 31.823 0.092 0.000 0.654 213 V HN 0.507 nan 8.190 nan 0.000 0.451 214 S N -1.350 114.379 115.700 0.048 0.000 2.370 214 S HA -0.291 4.177 4.470 -0.003 0.000 0.226 214 S C 1.672 176.308 174.600 0.060 0.000 1.033 214 S CA 2.064 60.295 58.200 0.051 0.000 1.011 214 S CB -0.514 62.737 63.200 0.085 0.000 0.852 214 S HN 0.750 nan 8.310 nan 0.000 0.457 215 W N 1.823 123.069 121.300 -0.090 0.000 2.374 215 W HA 0.006 4.671 4.660 0.008 0.000 0.288 215 W C 1.606 178.054 176.519 -0.119 0.000 1.218 215 W CA 1.004 58.328 57.345 -0.036 0.000 1.245 215 W CB -0.330 29.209 29.460 0.131 0.000 1.126 215 W HN 0.285 nan 8.180 nan 0.000 0.545 216 L N 0.451 121.558 121.223 -0.194 0.000 2.261 216 L HA -0.102 4.236 4.340 -0.003 0.000 0.216 216 L C 2.401 179.100 176.870 -0.286 0.000 1.114 216 L CA 1.316 55.965 54.840 -0.319 0.000 0.777 216 L CB -1.152 40.727 42.059 -0.301 0.000 0.910 216 L HN 0.244 nan 8.230 nan 0.000 0.440 217 G N -1.090 107.588 108.800 -0.203 0.000 3.042 217 G HA2 -0.009 3.949 3.960 -0.003 0.000 0.212 217 G HA3 -0.009 3.949 3.960 -0.003 0.000 0.212 217 G C 0.686 175.470 174.900 -0.194 0.000 1.166 217 G CA 0.373 45.382 45.100 -0.153 0.000 0.767 217 G HN 0.394 nan 8.290 nan 0.000 0.546 218 S N -0.752 114.755 115.700 -0.322 0.000 2.669 218 S HA 0.326 4.794 4.470 -0.003 0.000 0.270 218 S C 1.329 175.759 174.600 -0.285 0.000 1.225 218 S CA -0.312 57.715 58.200 -0.288 0.000 0.991 218 S CB 2.160 65.156 63.200 -0.340 0.000 0.987 218 S HN 0.148 nan 8.310 nan 0.000 0.552 219 K N 1.273 121.568 120.400 -0.174 0.000 2.001 219 K HA -0.083 4.235 4.320 -0.003 0.000 0.214 219 K C -0.743 175.768 176.600 -0.148 0.000 1.050 219 K CA 1.844 58.057 56.287 -0.123 0.000 0.934 219 K CB -1.309 31.152 32.500 -0.064 0.000 0.718 219 K HN 0.602 nan 8.250 nan 0.000 0.443 220 P HA -0.113 nan 4.420 nan 0.000 0.218 220 P C 0.950 178.109 177.300 -0.236 0.000 1.149 220 P CA 1.682 64.715 63.100 -0.111 0.000 0.817 220 P CB 0.014 31.729 31.700 0.025 0.000 0.785 221 A N 0.883 123.360 122.820 -0.572 0.000 1.872 221 A HA -0.127 4.192 4.320 -0.003 0.000 0.214 221 A C 2.318 179.775 177.584 -0.212 0.000 1.187 221 A CA 1.450 53.057 52.037 -0.716 0.000 0.614 221 A CB -1.037 17.127 19.000 -1.394 0.000 0.826 221 A HN 0.070 nan 8.150 nan 0.000 0.442 222 K N -0.182 120.126 120.400 -0.153 0.000 2.074 222 K HA -0.151 4.167 4.320 -0.003 0.000 0.209 222 K C 2.280 178.896 176.600 0.025 0.000 1.048 222 K CA 1.208 57.499 56.287 0.008 0.000 0.926 222 K CB -0.366 32.103 32.500 -0.052 0.000 0.713 222 K HN 0.449 nan 8.250 nan 0.000 0.444 223 A N 1.515 124.307 122.820 -0.046 0.000 1.908 223 A HA -0.195 4.123 4.320 -0.003 0.000 0.218 223 A C 2.107 179.664 177.584 -0.044 0.000 1.181 223 A CA 1.458 53.477 52.037 -0.030 0.000 0.627 223 A CB -0.637 18.342 19.000 -0.036 0.000 0.818 223 A HN 0.207 nan 8.150 nan 0.000 0.445 224 I N -1.754 118.734 120.570 -0.136 0.000 2.127 224 I HA -0.276 3.892 4.170 -0.003 0.000 0.241 224 I C 2.296 178.268 176.117 -0.242 0.000 1.075 224 I CA 1.603 62.757 61.300 -0.244 0.000 1.334 224 I CB -0.431 37.299 38.000 -0.449 0.000 1.040 224 I HN 0.333 nan 8.210 nan 0.000 0.405 225 F N 0.784 120.718 119.950 -0.026 0.000 2.146 225 F HA -0.129 4.396 4.527 -0.002 0.000 0.298 225 F C 2.617 178.513 175.800 0.160 0.000 1.096 225 F CA 1.183 59.194 58.000 0.019 0.000 1.275 225 F CB -1.067 37.816 39.000 -0.195 0.000 1.008 225 F HN -0.015 nan 8.300 nan 0.000 0.480 226 A N 0.351 123.304 122.820 0.221 0.000 1.908 226 A HA -0.201 4.117 4.320 -0.003 0.000 0.218 226 A C 2.325 179.970 177.584 0.102 0.000 1.181 226 A CA 1.569 53.692 52.037 0.143 0.000 0.627 226 A CB -0.716 18.329 19.000 0.075 0.000 0.818 226 A HN 0.292 nan 8.150 nan 0.000 0.445 227 R N -1.003 119.538 120.500 0.069 0.000 2.159 227 R HA -0.055 4.283 4.340 -0.003 0.000 0.237 227 R C 1.497 177.830 176.300 0.054 0.000 1.131 227 R CA 1.048 57.173 56.100 0.041 0.000 0.982 227 R CB -0.143 30.166 30.300 0.015 0.000 0.868 227 R HN 0.329 nan 8.270 nan 0.000 0.453 228 R N -0.577 119.993 120.500 0.117 0.000 2.317 228 R HA 0.104 4.442 4.340 -0.003 0.000 0.208 228 R C 0.916 177.217 176.300 0.001 0.000 0.914 228 R CA 0.692 56.870 56.100 0.129 0.000 1.060 228 R CB 0.747 31.229 30.300 0.303 0.000 1.015 228 R HN 0.436 nan 8.270 nan 0.000 0.498 229 G N 0.990 109.792 108.800 0.004 0.000 2.141 229 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.231 229 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.231 229 G C -0.113 174.631 174.900 -0.260 0.000 0.984 229 G CA -0.413 44.610 45.100 -0.129 0.000 0.660 229 G HN 0.219 nan 8.290 nan 0.000 0.525 230 F N 2.325 122.271 119.950 -0.006 0.000 2.384 230 F HA 0.567 5.093 4.527 -0.003 0.000 0.338 230 F C 1.383 177.159 175.800 -0.040 0.000 1.103 230 F CA 0.028 57.990 58.000 -0.063 0.000 1.157 230 F CB 1.319 40.242 39.000 -0.128 0.000 1.167 230 F HN 0.240 nan 8.300 nan 0.000 0.529 231 S N 2.997 118.767 115.700 0.116 0.000 2.614 231 S HA 0.674 5.143 4.470 -0.003 0.000 0.265 231 S C -0.715 173.918 174.600 0.055 0.000 1.303 231 S CA -0.911 57.331 58.200 0.070 0.000 1.000 231 S CB 0.845 64.072 63.200 0.044 0.000 0.935 231 S HN 0.534 nan 8.310 nan 0.000 0.551 232 L N 1.720 122.958 121.223 0.026 0.000 2.313 232 L HA 0.518 4.856 4.340 -0.003 0.000 0.283 232 L C 0.406 177.270 176.870 -0.010 0.000 1.013 232 L CA -0.976 53.859 54.840 -0.008 0.000 0.816 232 L CB 1.387 43.445 42.059 -0.002 0.000 1.236 232 L HN 0.595 nan 8.230 nan 0.000 0.419 233 K N 0.000 120.386 120.400 -0.023 0.000 2.780 233 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 233 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 233 K CB 0.000 32.503 32.500 0.005 0.000 1.064 233 K HN 0.000 nan 8.250 nan 0.000 0.543