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 1l2a_1_C DATA FIRST_RESID 28 DATA SEQUENCE GPTKAPTKDG TSYKDLFLEL YGKIKDPKNG YFSPDEGIPY HSIETLIVEA DATA SEQUENCE PDYGHVTTSE AFSYYVWLEA MYGNLTGNWS GVETAWKVME DWIIPDSTEQ DATA SEQUENCE PGMSSYNPNS PATYADEYED PSYYPSELKF DTVRVGSDPV HNDLVSAYGP DATA SEQUENCE NMYLMHWLMD VDNWYGFGTG TRATFINTFQ RGEQESTWET IPHPSIEEFK DATA SEQUENCE YGGPNGFLDL FTKDRSYAKQ WRYTNAPDAE GRAIQAVYWA NKWAKEQGKG DATA SEQUENCE SAVASVVSKA AKMGDFLRND MFDKYFMKIG AQDKTPATGY DSAHYLMAWY DATA SEQUENCE TAWGGGIGAS WAWKIGCSHA HFGYQNPFQG WVSATQSDFA PKSSNGKRDW DATA SEQUENCE TTSYKRQLEF YQWLQSAEGG IAGGATNSWN GRYEKYPAGT STFYGMAYVP DATA SEQUENCE HPVYADPGSN QWFGFQAWSM QRVMEYYLET GDSSVKNLIK KWVDWVMSEI DATA SEQUENCE KLYDDGTFAI PSDLEWSGQP DTWTGTYTGN PNLHVRVTSY GTDLGVAGSL DATA SEQUENCE ANALATYAAA TERWEGKLDT KARDMAAELV NRAWYNFYCS EGKGVVTEEA DATA SEQUENCE RADYKRFFEQ EVYVPAGWSG TMPNGDKIQP GIKFIDIRTK YRQDPYYDIV DATA SEQUENCE YQAYLRGEAP VLNYHRFWHE VDLAVAMGVL ATYFPDMTYK VP 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 28 G C 0.000 174.869 174.900 -0.051 0.000 0.946 28 G CA 0.000 45.079 45.100 -0.034 0.000 0.502 29 P HA 0.469 nan 4.420 nan 0.000 0.278 29 P C -0.090 177.117 177.300 -0.155 0.000 1.238 29 P CA -0.004 63.029 63.100 -0.112 0.000 0.794 29 P CB 1.508 33.118 31.700 -0.150 0.000 0.955 30 T N -1.009 113.461 114.554 -0.139 0.000 2.864 30 T HA 0.475 4.825 4.350 0.000 0.000 0.289 30 T C -0.228 174.337 174.700 -0.225 0.000 1.082 30 T CA -1.095 60.913 62.100 -0.153 0.000 1.009 30 T CB 1.128 69.957 68.868 -0.065 0.000 1.234 30 T HN 0.123 nan 8.240 nan 0.000 0.526 31 K N 1.004 121.217 120.400 -0.312 0.000 2.298 31 K HA 0.586 4.906 4.320 0.000 0.000 0.280 31 K C 0.311 176.665 176.600 -0.411 0.000 1.032 31 K CA -0.389 55.574 56.287 -0.539 0.000 0.958 31 K CB 0.684 32.804 32.500 -0.634 0.000 0.978 31 K HN 0.891 nan 8.250 nan 0.000 0.472 32 A N 4.720 127.262 122.820 -0.464 0.000 2.488 32 A HA 0.181 4.501 4.320 0.000 0.000 0.249 32 A C -1.157 176.258 177.584 -0.281 0.000 1.083 32 A CA -0.840 50.776 52.037 -0.703 0.000 0.768 32 A CB -0.109 18.545 19.000 -0.578 0.000 1.017 32 A HN 0.498 nan 8.150 nan 0.000 0.496 33 P HA 0.020 nan 4.420 nan 0.000 0.249 33 P C 0.293 177.582 177.300 -0.019 0.000 1.229 33 P CA 0.237 63.260 63.100 -0.129 0.000 0.788 33 P CB -0.301 31.315 31.700 -0.141 0.000 1.072 34 T N 1.612 116.164 114.554 -0.003 0.000 2.867 34 T HA 0.136 4.486 4.350 0.000 0.000 0.290 34 T C 0.805 175.607 174.700 0.169 0.000 1.025 34 T CA 0.661 62.815 62.100 0.090 0.000 1.146 34 T CB -0.127 68.779 68.868 0.062 0.000 1.024 34 T HN 0.290 nan 8.240 nan 0.000 0.519 35 K N 2.979 123.448 120.400 0.114 0.000 2.368 35 K HA 0.200 4.520 4.320 0.000 0.000 0.282 35 K C 0.165 176.860 176.600 0.157 0.000 1.035 35 K CA -0.691 55.659 56.287 0.105 0.000 0.973 35 K CB 0.030 32.561 32.500 0.052 0.000 0.957 35 K HN 0.716 nan 8.250 nan 0.000 0.474 36 D N 1.099 121.561 120.400 0.103 0.000 2.506 36 D HA 0.319 4.959 4.640 0.000 0.000 0.234 36 D C 1.462 177.773 176.300 0.018 0.000 1.143 36 D CA 2.097 56.115 54.000 0.030 0.000 0.871 36 D CB 0.638 41.403 40.800 -0.057 0.000 1.190 36 D HN 0.961 nan 8.370 nan 0.000 0.459 37 G N 1.308 110.100 108.800 -0.014 0.000 2.176 37 G HA2 -0.288 3.672 3.960 0.000 0.000 0.253 37 G HA3 -0.288 3.672 3.960 0.000 0.000 0.253 37 G C 0.551 175.426 174.900 -0.041 0.000 0.979 37 G CA 0.350 45.428 45.100 -0.037 0.000 0.641 37 G HN 0.615 nan 8.290 nan 0.000 0.530 38 T N 2.287 116.834 114.554 -0.011 0.000 2.853 38 T HA 0.461 4.811 4.350 0.000 0.000 0.298 38 T C 1.101 175.697 174.700 -0.173 0.000 0.978 38 T CA 0.634 62.693 62.100 -0.067 0.000 1.152 38 T CB 1.071 69.897 68.868 -0.069 0.000 0.914 38 T HN 1.235 nan 8.240 nan 0.000 0.539 39 S N 3.348 118.954 115.700 -0.158 0.000 2.579 39 S HA 0.114 4.585 4.470 0.000 0.000 0.275 39 S C 0.851 175.312 174.600 -0.232 0.000 1.345 39 S CA -0.532 57.554 58.200 -0.190 0.000 1.031 39 S CB 0.226 63.376 63.200 -0.083 0.000 0.892 39 S HN 0.575 nan 8.310 nan 0.000 0.529 40 Y N 1.477 121.764 120.300 -0.022 0.000 2.274 40 Y HA -0.071 4.480 4.550 0.000 0.000 0.290 40 Y C 2.479 178.353 175.900 -0.043 0.000 1.145 40 Y CA 1.532 59.606 58.100 -0.043 0.000 1.203 40 Y CB -0.571 37.878 38.460 -0.018 0.000 0.984 40 Y HN 0.799 nan 8.280 nan 0.000 0.533 41 K N 0.378 120.820 120.400 0.070 0.000 2.020 41 K HA -0.232 4.089 4.320 0.000 0.000 0.212 41 K C 1.479 178.113 176.600 0.056 0.000 1.050 41 K CA 2.175 58.473 56.287 0.019 0.000 0.929 41 K CB -0.178 32.293 32.500 -0.048 0.000 0.714 41 K HN 0.191 nan 8.250 nan 0.000 0.443 42 D N 0.654 121.048 120.400 -0.009 0.000 2.144 42 D HA -0.123 4.517 4.640 0.000 0.000 0.200 42 D C 1.989 178.245 176.300 -0.074 0.000 0.978 42 D CA 0.754 54.737 54.000 -0.027 0.000 0.833 42 D CB -0.059 40.710 40.800 -0.052 0.000 0.961 42 D HN 0.246 nan 8.370 nan 0.000 0.470 43 L N -0.071 121.061 121.223 -0.152 0.000 2.046 43 L HA -0.165 4.175 4.340 0.000 0.000 0.208 43 L C 2.369 179.105 176.870 -0.222 0.000 1.077 43 L CA 0.884 55.520 54.840 -0.342 0.000 0.747 43 L CB -0.405 41.360 42.059 -0.489 0.000 0.896 43 L HN 0.021 nan 8.230 nan 0.000 0.432 44 F N 0.733 120.596 119.950 -0.144 0.000 2.102 44 F HA -0.236 4.291 4.527 0.000 0.000 0.298 44 F C 2.246 178.057 175.800 0.018 0.000 1.105 44 F CA 1.520 59.478 58.000 -0.070 0.000 1.239 44 F CB -0.209 38.753 39.000 -0.064 0.000 0.991 44 F HN -0.120 nan 8.300 nan 0.000 0.474 45 L N 0.269 121.512 121.223 0.034 0.000 2.046 45 L HA -0.222 4.118 4.340 0.000 0.000 0.208 45 L C 2.586 179.448 176.870 -0.013 0.000 1.077 45 L CA 1.964 56.832 54.840 0.045 0.000 0.747 45 L CB -0.862 41.275 42.059 0.130 0.000 0.896 45 L HN 0.311 nan 8.230 nan 0.000 0.432 46 E N 0.551 120.725 120.200 -0.043 0.000 2.051 46 E HA -0.253 4.097 4.350 0.000 0.000 0.192 46 E C 2.393 178.994 176.600 0.002 0.000 0.991 46 E CA 1.129 57.531 56.400 0.003 0.000 0.799 46 E CB -0.023 29.695 29.700 0.031 0.000 0.748 46 E HN 0.438 nan 8.360 nan 0.000 0.449 47 L N 0.203 121.372 121.223 -0.090 0.000 2.056 47 L HA -0.182 4.158 4.340 0.000 0.000 0.207 47 L C 2.489 179.249 176.870 -0.184 0.000 1.078 47 L CA 1.442 56.248 54.840 -0.057 0.000 0.749 47 L CB -0.403 41.607 42.059 -0.081 0.000 0.901 47 L HN 0.326 nan 8.230 nan 0.000 0.433 48 Y N 0.503 120.517 120.300 -0.477 0.000 2.070 48 Y HA -0.257 4.293 4.550 0.000 0.000 0.280 48 Y C 2.294 178.044 175.900 -0.249 0.000 1.148 48 Y CA 1.956 59.765 58.100 -0.484 0.000 1.125 48 Y CB -0.895 37.125 38.460 -0.734 0.000 0.975 48 Y HN 0.160 nan 8.280 nan 0.000 0.492 49 G N 0.132 108.874 108.800 -0.097 0.000 2.503 49 G HA2 -0.326 3.634 3.960 0.000 0.000 0.221 49 G HA3 -0.326 3.634 3.960 0.000 0.000 0.221 49 G C 1.643 176.468 174.900 -0.124 0.000 1.131 49 G CA 1.407 46.448 45.100 -0.098 0.000 0.756 49 G HN 0.457 nan 8.290 nan 0.000 0.572 50 K N -0.271 120.083 120.400 -0.077 0.000 2.116 50 K HA 0.183 4.503 4.320 0.000 0.000 0.203 50 K C 2.404 179.000 176.600 -0.008 0.000 1.052 50 K CA 0.505 56.786 56.287 -0.010 0.000 0.952 50 K CB -0.112 32.415 32.500 0.045 0.000 0.729 50 K HN 0.325 nan 8.250 nan 0.000 0.446 51 I N 1.286 121.745 120.570 -0.184 0.000 2.361 51 I HA -0.241 3.929 4.170 0.000 0.000 0.251 51 I C 1.871 177.975 176.117 -0.021 0.000 1.133 51 I CA 1.108 62.221 61.300 -0.312 0.000 1.413 51 I CB -0.017 37.693 38.000 -0.484 0.000 1.073 51 I HN 0.027 nan 8.210 nan 0.000 0.424 52 K N -0.022 120.260 120.400 -0.196 0.000 2.361 52 K HA 0.064 4.385 4.320 0.000 0.000 0.194 52 K C 0.212 176.748 176.600 -0.107 0.000 1.032 52 K CA 0.146 56.301 56.287 -0.220 0.000 1.048 52 K CB -0.325 31.852 32.500 -0.538 0.000 0.842 52 K HN 0.135 nan 8.250 nan 0.000 0.526 53 D N 2.132 122.512 120.400 -0.033 0.000 2.401 53 D HA 0.024 4.665 4.640 0.000 0.000 0.254 53 D C -1.712 174.603 176.300 0.025 0.000 1.192 53 D CA -1.925 52.070 54.000 -0.009 0.000 0.885 53 D CB 1.411 42.215 40.800 0.006 0.000 1.147 53 D HN -0.148 nan 8.370 nan 0.000 0.478 54 P HA -0.235 nan 4.420 nan 0.000 0.218 54 P C 1.267 178.571 177.300 0.007 0.000 1.154 54 P CA 2.649 65.750 63.100 0.001 0.000 0.872 54 P CB 0.075 31.766 31.700 -0.015 0.000 0.790 55 K N -0.344 120.055 120.400 -0.001 0.000 2.152 55 K HA -0.201 4.119 4.320 0.000 0.000 0.206 55 K C 1.828 178.408 176.600 -0.035 0.000 1.048 55 K CA 1.961 58.240 56.287 -0.013 0.000 0.933 55 K CB -1.758 30.735 32.500 -0.012 0.000 0.721 55 K HN 0.235 nan 8.250 nan 0.000 0.447 56 N N -0.582 118.101 118.700 -0.029 0.000 2.354 56 N HA 0.030 4.770 4.740 0.000 0.000 0.179 56 N C 1.268 176.670 175.510 -0.181 0.000 1.021 56 N CA 1.154 54.142 53.050 -0.104 0.000 0.887 56 N CB 0.066 38.540 38.487 -0.022 0.000 0.974 56 N HN 0.681 nan 8.380 nan 0.000 0.437 57 G N 0.675 109.442 108.800 -0.054 0.000 2.314 57 G HA2 -0.303 3.658 3.960 0.000 0.000 0.292 57 G HA3 -0.303 3.658 3.960 0.000 0.000 0.292 57 G C 0.280 175.133 174.900 -0.079 0.000 1.059 57 G CA 0.261 45.345 45.100 -0.026 0.000 0.982 57 G HN 0.372 nan 8.290 nan 0.000 0.505 58 Y N -1.360 118.931 120.300 -0.015 0.000 2.457 58 Y HA 0.350 4.900 4.550 0.000 0.000 0.292 58 Y C 1.474 177.001 175.900 -0.622 0.000 1.125 58 Y CA 0.844 58.824 58.100 -0.200 0.000 1.254 58 Y CB 0.169 38.525 38.460 -0.173 0.000 1.012 58 Y HN 0.374 nan 8.280 nan 0.000 0.555 59 F N -0.757 119.017 119.950 -0.293 0.000 2.492 59 F HA 0.340 4.867 4.527 0.000 0.000 0.327 59 F C 0.528 175.890 175.800 -0.731 0.000 1.079 59 F CA -1.872 55.746 58.000 -0.636 0.000 0.967 59 F CB 0.929 39.638 39.000 -0.484 0.000 1.169 59 F HN -0.358 nan 8.300 nan 0.000 0.472 60 S N 1.867 117.033 115.700 -0.890 0.000 2.560 60 S HA 0.140 4.610 4.470 0.000 0.000 0.284 60 S C -2.076 172.394 174.600 -0.216 0.000 1.327 60 S CA -0.811 57.038 58.200 -0.585 0.000 1.055 60 S CB 0.954 63.808 63.200 -0.576 0.000 0.868 60 S HN 0.425 nan 8.310 nan 0.000 0.506 61 P HA 0.059 nan 4.420 nan 0.000 0.220 61 P C 0.486 177.759 177.300 -0.045 0.000 1.152 61 P CA 0.779 63.853 63.100 -0.044 0.000 0.812 61 P CB 0.079 31.779 31.700 0.000 0.000 0.792 62 D N -0.725 119.640 120.400 -0.058 0.000 2.305 62 D HA -0.066 4.574 4.640 0.000 0.000 0.206 62 D C 1.533 177.816 176.300 -0.028 0.000 0.974 62 D CA 0.923 54.904 54.000 -0.032 0.000 0.871 62 D CB 0.050 40.835 40.800 -0.026 0.000 0.947 62 D HN 0.405 nan 8.370 nan 0.000 0.516 63 E N -1.053 119.084 120.200 -0.105 0.000 2.665 63 E HA 0.159 4.509 4.350 0.000 0.000 0.225 63 E C 1.004 177.578 176.600 -0.043 0.000 0.922 63 E CA 0.517 56.879 56.400 -0.065 0.000 1.242 63 E CB 0.276 29.779 29.700 -0.329 0.000 1.197 63 E HN 0.021 nan 8.360 nan 0.000 0.581 64 G N 2.327 111.056 108.800 -0.120 0.000 2.225 64 G HA2 -0.245 3.715 3.960 0.000 0.000 0.264 64 G HA3 -0.245 3.715 3.960 0.000 0.000 0.264 64 G C -0.033 174.830 174.900 -0.061 0.000 1.060 64 G CA 0.437 45.478 45.100 -0.099 0.000 0.833 64 G HN 0.315 nan 8.290 nan 0.000 0.498 65 I N 1.834 122.250 120.570 -0.256 0.000 2.353 65 I HA 0.311 4.481 4.170 0.000 0.000 0.293 65 I C -1.634 174.041 176.117 -0.736 0.000 0.992 65 I CA -2.635 58.421 61.300 -0.406 0.000 1.268 65 I CB 1.731 39.469 38.000 -0.436 0.000 1.387 65 I HN -0.069 nan 8.210 nan 0.000 0.478 66 P HA 0.032 nan 4.420 nan 0.000 0.271 66 P C -1.169 175.525 177.300 -1.009 0.000 1.226 66 P CA 0.095 62.269 63.100 -1.544 0.000 0.765 66 P CB 0.220 30.765 31.700 -1.924 0.000 0.835 67 Y N 1.407 121.239 120.300 -0.780 0.000 2.314 67 Y HA 0.035 4.585 4.550 0.000 0.000 0.334 67 Y C 2.400 178.098 175.900 -0.336 0.000 1.266 67 Y CA 0.117 57.909 58.100 -0.514 0.000 1.391 67 Y CB -0.094 38.009 38.460 -0.595 0.000 1.306 67 Y HN 0.512 nan 8.280 nan 0.000 0.558 68 H N 0.320 119.362 119.070 -0.048 0.000 2.352 68 H HA -0.050 4.506 4.556 0.000 0.000 0.299 68 H C -0.107 175.236 175.328 0.024 0.000 1.097 68 H CA 1.358 57.410 56.048 0.007 0.000 1.311 68 H CB 0.297 30.050 29.762 -0.015 0.000 1.377 68 H HN 0.504 nan 8.280 nan 0.000 0.504 69 S N -2.400 113.280 115.700 -0.033 0.000 2.588 69 S HA 0.239 4.709 4.470 0.000 0.000 0.269 69 S C 0.796 175.383 174.600 -0.022 0.000 1.157 69 S CA -0.418 57.744 58.200 -0.062 0.000 0.824 69 S CB 0.511 63.630 63.200 -0.135 0.000 1.126 69 S HN 0.150 nan 8.310 nan 0.000 0.464 70 I N 0.786 121.309 120.570 -0.078 0.000 2.179 70 I HA -0.120 4.050 4.170 0.000 0.000 0.242 70 I C 0.740 176.812 176.117 -0.076 0.000 1.088 70 I CA 1.358 62.562 61.300 -0.160 0.000 1.357 70 I CB -0.356 37.393 38.000 -0.418 0.000 1.051 70 I HN 0.668 nan 8.210 nan 0.000 0.409 71 E N 0.482 120.643 120.200 -0.065 0.000 2.392 71 E HA 0.007 4.357 4.350 0.000 0.000 0.259 71 E C 1.113 177.573 176.600 -0.232 0.000 1.108 71 E CA 0.513 56.848 56.400 -0.108 0.000 0.916 71 E CB 0.478 30.187 29.700 0.015 0.000 0.989 71 E HN 0.252 nan 8.360 nan 0.000 0.432 72 T N -1.127 113.223 114.554 -0.341 0.000 3.034 72 T HA 0.084 4.434 4.350 0.000 0.000 0.248 72 T C 0.577 175.143 174.700 -0.225 0.000 1.040 72 T CA -0.345 61.381 62.100 -0.623 0.000 1.107 72 T CB 0.177 68.630 68.868 -0.691 0.000 0.932 72 T HN 0.179 nan 8.240 nan 0.000 0.474 73 L N 2.376 123.654 121.223 0.092 0.000 2.334 73 L HA 0.706 5.046 4.340 0.000 0.000 0.286 73 L C -0.801 176.241 176.870 0.287 0.000 1.108 73 L CA -1.709 53.295 54.840 0.273 0.000 0.875 73 L CB -0.688 41.502 42.059 0.218 0.000 1.246 73 L HN 0.460 nan 8.230 nan 0.000 0.439 74 I N 4.517 125.206 120.570 0.199 0.000 2.753 74 I HA 0.492 4.662 4.170 0.000 0.000 0.291 74 I C -1.718 174.405 176.117 0.009 0.000 1.425 74 I CA -0.455 60.923 61.300 0.129 0.000 1.039 74 I CB 2.244 40.096 38.000 -0.247 0.000 1.349 74 I HN 0.169 nan 8.210 nan 0.000 0.430 75 V N 7.353 127.262 119.914 -0.008 0.000 2.524 75 V HA 0.498 4.618 4.120 0.000 0.000 0.297 75 V C 0.032 176.022 176.094 -0.172 0.000 1.035 75 V CA -0.145 61.976 62.300 -0.299 0.000 0.867 75 V CB 1.389 32.603 31.823 -1.015 0.000 1.004 75 V HN 0.938 nan 8.190 nan 0.000 0.426 76 E N 3.867 123.951 120.200 -0.193 0.000 2.756 76 E HA 0.365 4.715 4.350 0.000 0.000 0.218 76 E C 0.901 177.448 176.600 -0.088 0.000 1.042 76 E CA 0.667 57.003 56.400 -0.105 0.000 1.713 76 E CB 0.933 30.606 29.700 -0.045 0.000 2.443 76 E HN 0.590 nan 8.360 nan 0.000 1.080 77 A N 0.959 123.752 122.820 -0.045 0.000 1.633 77 A HA 0.348 4.669 4.320 0.000 0.000 0.212 77 A C -2.170 175.593 177.584 0.298 0.000 1.823 77 A CA 0.126 52.240 52.037 0.127 0.000 1.343 77 A CB -0.390 18.662 19.000 0.087 0.000 1.309 77 A HN 0.208 nan 8.150 nan 0.000 0.404 78 P HA 0.317 nan 4.420 nan 0.000 0.276 78 P C -1.190 176.069 177.300 -0.069 0.000 1.244 78 P CA 0.391 63.487 63.100 -0.006 0.000 0.801 78 P CB 0.990 32.544 31.700 -0.244 0.000 1.006 79 D N -1.025 119.389 120.400 0.023 0.000 2.431 79 D HA 0.101 4.741 4.640 0.000 0.000 0.213 79 D C -0.431 176.001 176.300 0.220 0.000 1.130 79 D CA -0.139 53.904 54.000 0.072 0.000 0.834 79 D CB -0.424 40.477 40.800 0.169 0.000 0.985 79 D HN 0.284 nan 8.370 nan 0.000 0.504 80 Y N -0.303 119.955 120.300 -0.069 0.000 2.479 80 Y HA 0.516 5.066 4.550 0.000 0.000 0.338 80 Y C 1.088 176.864 175.900 -0.206 0.000 1.055 80 Y CA -1.095 56.864 58.100 -0.236 0.000 1.023 80 Y CB 2.083 40.200 38.460 -0.571 0.000 1.287 80 Y HN -0.149 nan 8.280 nan 0.000 0.447 81 G N 2.066 110.362 108.800 -0.840 0.000 2.509 81 G HA2 -0.141 3.819 3.960 0.000 0.000 0.218 81 G HA3 -0.141 3.819 3.960 0.000 0.000 0.218 81 G C 0.628 175.261 174.900 -0.444 0.000 1.124 81 G CA 0.619 45.412 45.100 -0.512 0.000 0.776 81 G HN 0.834 nan 8.290 nan 0.000 0.547 82 H N -0.566 117.790 119.070 -1.189 0.000 2.486 82 H HA 0.245 4.801 4.556 0.000 0.000 0.284 82 H C 0.757 175.979 175.328 -0.176 0.000 1.103 82 H CA -0.687 54.903 56.048 -0.764 0.000 1.089 82 H CB 0.765 29.933 29.762 -0.990 0.000 1.603 82 H HN 0.243 nan 8.280 nan 0.000 0.557 83 V N -0.460 119.458 119.914 0.007 0.000 3.185 83 V HA 0.207 4.327 4.120 0.000 0.000 0.305 83 V C 0.641 176.766 176.094 0.052 0.000 1.090 83 V CA -0.339 62.007 62.300 0.075 0.000 1.107 83 V CB 1.738 33.573 31.823 0.020 0.000 1.061 83 V HN 0.072 nan 8.190 nan 0.000 0.480 84 T N 1.483 116.051 114.554 0.022 0.000 2.940 84 T HA 0.741 5.091 4.350 0.000 0.000 0.288 84 T C -0.216 174.502 174.700 0.030 0.000 1.033 84 T CA 0.250 62.352 62.100 0.002 0.000 1.033 84 T CB 1.331 70.181 68.868 -0.031 0.000 1.079 84 T HN 1.420 nan 8.240 nan 0.000 0.496 85 T N -0.382 114.236 114.554 0.107 0.000 2.907 85 T HA 0.433 4.783 4.350 0.000 0.000 0.292 85 T C 1.475 176.355 174.700 0.300 0.000 1.043 85 T CA -0.157 62.032 62.100 0.149 0.000 1.003 85 T CB 1.407 70.408 68.868 0.221 0.000 1.084 85 T HN 0.565 nan 8.240 nan 0.000 0.483 86 S N 0.593 116.457 115.700 0.274 0.000 2.383 86 S HA -0.228 4.242 4.470 0.000 0.000 0.229 86 S C 1.681 176.445 174.600 0.273 0.000 1.030 86 S CA 1.350 59.708 58.200 0.264 0.000 1.002 86 S CB -0.814 62.475 63.200 0.148 0.000 0.829 86 S HN 0.893 nan 8.310 nan 0.000 0.467 87 E N 2.179 122.528 120.200 0.248 0.000 2.055 87 E HA -0.285 4.065 4.350 0.000 0.000 0.209 87 E C 2.205 179.048 176.600 0.406 0.000 1.036 87 E CA 1.541 58.091 56.400 0.251 0.000 0.849 87 E CB -0.647 29.201 29.700 0.247 0.000 0.767 87 E HN 0.636 nan 8.360 nan 0.000 0.461 88 A N -0.136 122.917 122.820 0.389 0.000 1.978 88 A HA -0.165 4.155 4.320 0.000 0.000 0.220 88 A C 1.996 179.793 177.584 0.355 0.000 1.170 88 A CA 1.420 53.689 52.037 0.388 0.000 0.636 88 A CB -0.896 18.140 19.000 0.060 0.000 0.810 88 A HN 0.421 nan 8.150 nan 0.000 0.448 89 F N 1.014 121.114 119.950 0.251 0.000 2.113 89 F HA -0.207 4.320 4.527 0.000 0.000 0.297 89 F C 3.050 179.018 175.800 0.281 0.000 1.103 89 F CA 1.832 59.986 58.000 0.256 0.000 1.248 89 F CB -0.221 38.835 39.000 0.093 0.000 0.999 89 F HN 0.379 nan 8.300 nan 0.000 0.475 90 S N -0.612 115.312 115.700 0.374 0.000 2.370 90 S HA -0.290 4.180 4.470 0.000 0.000 0.226 90 S C 1.881 176.634 174.600 0.256 0.000 1.033 90 S CA 1.363 59.678 58.200 0.192 0.000 1.011 90 S CB -1.297 61.897 63.200 -0.011 0.000 0.852 90 S HN 0.404 nan 8.310 nan 0.000 0.457 91 Y N 0.435 120.990 120.300 0.424 0.000 2.224 91 Y HA -0.049 4.501 4.550 0.000 0.000 0.289 91 Y C 2.585 178.879 175.900 0.656 0.000 1.146 91 Y CA 1.319 59.743 58.100 0.539 0.000 1.182 91 Y CB -0.803 37.935 38.460 0.464 0.000 0.983 91 Y HN 0.388 nan 8.280 nan 0.000 0.524 92 Y N 0.189 120.931 120.300 0.738 0.000 2.181 92 Y HA -0.215 4.335 4.550 0.000 0.000 0.288 92 Y C 2.248 178.500 175.900 0.587 0.000 1.146 92 Y CA 1.110 59.631 58.100 0.702 0.000 1.164 92 Y CB -0.873 37.896 38.460 0.515 0.000 0.982 92 Y HN -0.070 nan 8.280 nan 0.000 0.515 93 V N -0.863 119.325 119.914 0.457 0.000 2.343 93 V HA -0.296 3.825 4.120 0.000 0.000 0.247 93 V C 2.198 178.624 176.094 0.553 0.000 1.051 93 V CA 1.936 64.475 62.300 0.398 0.000 1.036 93 V CB -1.031 31.045 31.823 0.422 0.000 0.654 93 V HN 0.572 nan 8.190 nan 0.000 0.451 94 W N 0.345 121.860 121.300 0.358 0.000 2.354 94 W HA -0.154 4.506 4.660 0.000 0.000 0.315 94 W C 2.325 179.096 176.519 0.420 0.000 1.206 94 W CA 1.618 59.170 57.345 0.346 0.000 1.290 94 W CB -0.997 28.600 29.460 0.227 0.000 1.152 94 W HN 0.243 nan 8.180 nan 0.000 0.489 95 L N 1.381 122.984 121.223 0.634 0.000 2.051 95 L HA -0.252 4.088 4.340 0.000 0.000 0.214 95 L C 2.318 179.574 176.870 0.643 0.000 1.076 95 L CA 2.301 57.495 54.840 0.589 0.000 0.758 95 L CB -0.870 41.527 42.059 0.562 0.000 0.890 95 L HN -0.125 nan 8.230 nan 0.000 0.433 96 E N -0.422 120.143 120.200 0.608 0.000 2.158 96 E HA -0.089 4.261 4.350 0.000 0.000 0.191 96 E C 2.232 179.116 176.600 0.474 0.000 0.982 96 E CA 1.044 57.755 56.400 0.520 0.000 0.823 96 E CB -0.459 29.491 29.700 0.417 0.000 0.766 96 E HN 0.625 nan 8.360 nan 0.000 0.468 97 A N 1.470 124.642 122.820 0.587 0.000 1.873 97 A HA -0.239 4.081 4.320 0.000 0.000 0.218 97 A C 2.237 180.187 177.584 0.609 0.000 1.193 97 A CA 2.242 54.730 52.037 0.751 0.000 0.629 97 A CB -0.513 18.978 19.000 0.818 0.000 0.826 97 A HN 0.216 nan 8.150 nan 0.000 0.447 98 M N -2.041 117.815 119.600 0.426 0.000 2.213 98 M HA -0.087 4.393 4.480 0.000 0.000 0.263 98 M C 1.843 177.929 176.300 -0.356 0.000 1.062 98 M CA 1.519 56.769 55.300 -0.083 0.000 1.105 98 M CB -0.727 31.706 32.600 -0.278 0.000 1.385 98 M HN 0.540 nan 8.290 nan 0.000 0.417 99 Y N -0.316 119.875 120.300 -0.182 0.000 2.220 99 Y HA 0.085 4.636 4.550 0.000 0.000 0.291 99 Y C 2.102 177.681 175.900 -0.535 0.000 1.129 99 Y CA 1.777 59.687 58.100 -0.317 0.000 1.161 99 Y CB -0.865 37.291 38.460 -0.506 0.000 0.997 99 Y HN 0.244 nan 8.280 nan 0.000 0.522 100 G N 0.257 108.596 108.800 -0.767 0.000 2.418 100 G HA2 -0.373 3.587 3.960 0.000 0.000 0.217 100 G HA3 -0.373 3.587 3.960 0.000 0.000 0.217 100 G C 1.629 175.716 174.900 -1.354 0.000 1.158 100 G CA 0.966 44.955 45.100 -1.851 0.000 0.771 100 G HN 0.561 nan 8.290 nan 0.000 0.545 101 N N 0.154 118.443 118.700 -0.685 0.000 2.084 101 N HA -0.041 4.699 4.740 0.000 0.000 0.190 101 N C 2.162 177.353 175.510 -0.532 0.000 1.030 101 N CA 0.814 53.621 53.050 -0.406 0.000 0.849 101 N CB -0.182 37.741 38.487 -0.940 0.000 1.012 101 N HN 0.329 nan 8.380 nan 0.000 0.423 102 L N -0.532 120.309 121.223 -0.635 0.000 2.418 102 L HA 0.025 4.365 4.340 0.000 0.000 0.218 102 L C 1.719 178.313 176.870 -0.460 0.000 1.125 102 L CA 0.618 55.142 54.840 -0.527 0.000 0.835 102 L CB 0.117 41.858 42.059 -0.529 0.000 0.953 102 L HN 0.232 nan 8.230 nan 0.000 0.454 103 T N -1.943 112.251 114.554 -0.601 0.000 3.075 103 T HA 0.234 4.585 4.350 0.000 0.000 0.251 103 T C 1.213 175.646 174.700 -0.446 0.000 0.979 103 T CA 0.796 62.535 62.100 -0.602 0.000 1.033 103 T CB 0.859 69.044 68.868 -1.139 0.000 1.104 103 T HN 0.406 nan 8.240 nan 0.000 0.473 104 G N 2.126 110.622 108.800 -0.507 0.000 2.179 104 G HA2 -0.197 3.763 3.960 0.000 0.000 0.220 104 G HA3 -0.197 3.763 3.960 0.000 0.000 0.220 104 G C 0.016 174.729 174.900 -0.311 0.000 0.990 104 G CA 0.050 44.978 45.100 -0.286 0.000 0.646 104 G HN 0.588 nan 8.290 nan 0.000 0.517 105 N N -0.490 117.919 118.700 -0.484 0.000 2.457 105 N HA 0.430 5.170 4.740 0.000 0.000 0.250 105 N C 0.446 175.793 175.510 -0.271 0.000 0.982 105 N CA -0.915 52.002 53.050 -0.221 0.000 0.941 105 N CB 0.466 38.939 38.487 -0.023 0.000 1.120 105 N HN 0.287 nan 8.380 nan 0.000 0.505 106 W N 1.849 123.219 121.300 0.116 0.000 3.220 106 W HA 0.109 4.769 4.660 0.000 0.000 0.328 106 W C 2.178 178.789 176.519 0.153 0.000 1.205 106 W CA -0.406 57.022 57.345 0.139 0.000 1.773 106 W CB 0.511 30.030 29.460 0.098 0.000 1.086 106 W HN 0.598 nan 8.180 nan 0.000 0.622 107 S N -0.883 114.997 115.700 0.299 0.000 2.436 107 S HA -0.026 4.444 4.470 0.000 0.000 0.228 107 S C 2.117 176.858 174.600 0.235 0.000 1.014 107 S CA 1.114 59.458 58.200 0.240 0.000 0.950 107 S CB -0.868 62.440 63.200 0.181 0.000 0.784 107 S HN 0.226 nan 8.310 nan 0.000 0.504 108 G N 1.687 110.640 108.800 0.254 0.000 2.503 108 G HA2 -0.184 3.776 3.960 0.000 0.000 0.221 108 G HA3 -0.184 3.776 3.960 0.000 0.000 0.221 108 G C 1.375 176.424 174.900 0.249 0.000 1.131 108 G CA 1.285 46.539 45.100 0.257 0.000 0.756 108 G HN 0.508 nan 8.290 nan 0.000 0.572 109 V N 1.024 121.129 119.914 0.318 0.000 2.379 109 V HA -0.006 4.114 4.120 0.000 0.000 0.245 109 V C 3.213 179.466 176.094 0.265 0.000 1.044 109 V CA 2.518 65.010 62.300 0.321 0.000 1.036 109 V CB -0.945 31.136 31.823 0.431 0.000 0.664 109 V HN 0.625 nan 8.190 nan 0.000 0.453 110 E N 0.046 120.386 120.200 0.233 0.000 2.051 110 E HA -0.293 4.057 4.350 0.000 0.000 0.192 110 E C 2.189 178.920 176.600 0.218 0.000 0.991 110 E CA 2.178 58.698 56.400 0.200 0.000 0.799 110 E CB -1.439 28.352 29.700 0.151 0.000 0.748 110 E HN 0.629 nan 8.360 nan 0.000 0.449 111 T N 0.247 114.917 114.554 0.194 0.000 2.665 111 T HA -0.033 4.317 4.350 0.000 0.000 0.268 111 T C 2.346 177.162 174.700 0.194 0.000 1.035 111 T CA 2.079 64.293 62.100 0.190 0.000 1.151 111 T CB -0.537 68.440 68.868 0.182 0.000 0.862 111 T HN 0.629 nan 8.240 nan 0.000 0.438 112 A N 0.824 123.680 122.820 0.060 0.000 1.902 112 A HA -0.107 4.213 4.320 0.000 0.000 0.217 112 A C 2.193 179.856 177.584 0.132 0.000 1.181 112 A CA 1.234 53.135 52.037 -0.227 0.000 0.623 112 A CB -0.995 17.532 19.000 -0.788 0.000 0.818 112 A HN 0.711 nan 8.150 nan 0.000 0.443 113 W N 0.852 122.186 121.300 0.057 0.000 2.402 113 W HA -0.122 4.538 4.660 0.000 0.000 0.286 113 W C 2.102 178.681 176.519 0.099 0.000 1.221 113 W CA 1.892 59.292 57.345 0.091 0.000 1.257 113 W CB -0.158 29.352 29.460 0.085 0.000 1.120 113 W HN 0.454 nan 8.180 nan 0.000 0.551 114 K N 0.301 120.889 120.400 0.314 0.000 2.009 114 K HA -0.211 4.109 4.320 0.000 0.000 0.210 114 K C 1.820 178.528 176.600 0.180 0.000 1.049 114 K CA 2.299 58.716 56.287 0.217 0.000 0.929 114 K CB -0.538 32.076 32.500 0.191 0.000 0.714 114 K HN -0.072 nan 8.250 nan 0.000 0.440 115 V N 1.783 121.873 119.914 0.293 0.000 2.343 115 V HA -0.306 3.815 4.120 0.000 0.000 0.247 115 V C 2.447 178.759 176.094 0.363 0.000 1.051 115 V CA 2.157 64.740 62.300 0.472 0.000 1.036 115 V CB -0.542 31.666 31.823 0.642 0.000 0.654 115 V HN 0.514 nan 8.190 nan 0.000 0.451 116 M N -0.009 119.636 119.600 0.075 0.000 2.065 116 M HA -0.259 4.221 4.480 0.000 0.000 0.259 116 M C 2.289 178.317 176.300 -0.452 0.000 1.071 116 M CA 2.344 57.265 55.300 -0.631 0.000 1.109 116 M CB -0.327 31.785 32.600 -0.813 0.000 1.313 116 M HN 0.385 nan 8.290 nan 0.000 0.408 117 E N -0.092 119.929 120.200 -0.298 0.000 2.153 117 E HA -0.232 4.118 4.350 0.000 0.000 0.194 117 E C 1.319 177.819 176.600 -0.166 0.000 0.988 117 E CA 1.492 57.787 56.400 -0.175 0.000 0.811 117 E CB 0.037 29.762 29.700 0.040 0.000 0.746 117 E HN 0.534 nan 8.360 nan 0.000 0.466 118 D N -1.529 118.757 120.400 -0.190 0.000 2.269 118 D HA -0.108 4.532 4.640 0.000 0.000 0.208 118 D C 0.810 176.701 176.300 -0.681 0.000 0.963 118 D CA 0.872 54.590 54.000 -0.470 0.000 0.864 118 D CB 0.057 40.494 40.800 -0.604 0.000 0.936 118 D HN 0.358 nan 8.370 nan 0.000 0.505 119 W N -0.792 120.447 121.300 -0.102 0.000 4.271 119 W HA 0.355 5.015 4.660 0.000 0.000 0.208 119 W C 1.839 178.266 176.519 -0.153 0.000 0.940 119 W CA -0.417 56.856 57.345 -0.121 0.000 2.040 119 W CB -0.043 29.397 29.460 -0.034 0.000 0.875 119 W HN -0.293 nan 8.180 nan 0.000 0.877 120 I N 0.606 121.182 120.570 0.011 0.000 3.427 120 I HA 0.192 4.362 4.170 0.000 0.000 0.288 120 I C 0.115 176.252 176.117 0.032 0.000 1.249 120 I CA 0.486 61.811 61.300 0.043 0.000 1.421 120 I CB 0.346 38.205 38.000 -0.236 0.000 1.086 120 I HN -0.251 nan 8.210 nan 0.000 0.448 121 I N 3.351 123.830 120.570 -0.151 0.000 2.297 121 I HA 0.232 4.402 4.170 0.000 0.000 0.291 121 I C -2.175 173.850 176.117 -0.153 0.000 1.033 121 I CA -2.002 59.153 61.300 -0.242 0.000 1.253 121 I CB 0.590 38.308 38.000 -0.471 0.000 1.396 121 I HN -0.104 nan 8.210 nan 0.000 0.476 122 P HA -0.021 nan 4.420 nan 0.000 0.260 122 P C -0.851 176.319 177.300 -0.217 0.000 1.207 122 P CA -0.116 62.770 63.100 -0.356 0.000 0.780 122 P CB 0.012 31.157 31.700 -0.925 0.000 0.789 123 D N 1.166 121.485 120.400 -0.134 0.000 2.414 123 D HA 0.002 4.642 4.640 0.000 0.000 0.259 123 D C 1.028 177.257 176.300 -0.118 0.000 1.269 123 D CA -0.423 53.517 54.000 -0.101 0.000 1.028 123 D CB -0.217 40.534 40.800 -0.082 0.000 1.093 123 D HN 0.205 nan 8.370 nan 0.000 0.545 124 S N -1.540 114.111 115.700 -0.082 0.000 2.399 124 S HA -0.223 4.248 4.470 0.000 0.000 0.231 124 S C 1.943 176.476 174.600 -0.112 0.000 1.022 124 S CA 1.380 59.531 58.200 -0.082 0.000 0.983 124 S CB -1.338 61.840 63.200 -0.036 0.000 0.803 124 S HN 0.798 nan 8.310 nan 0.000 0.480 125 T N 0.533 115.027 114.554 -0.100 0.000 3.007 125 T HA 0.027 4.377 4.350 0.000 0.000 0.270 125 T C 1.270 175.878 174.700 -0.154 0.000 1.107 125 T CA 0.976 63.016 62.100 -0.099 0.000 1.118 125 T CB -0.418 68.411 68.868 -0.065 0.000 0.889 125 T HN 0.590 nan 8.240 nan 0.000 0.506 126 E N 0.389 120.470 120.200 -0.198 0.000 2.474 126 E HA 0.132 4.482 4.350 0.000 0.000 0.195 126 E C 0.646 176.872 176.600 -0.624 0.000 1.039 126 E CA 0.029 56.269 56.400 -0.266 0.000 0.881 126 E CB 0.332 29.965 29.700 -0.112 0.000 0.970 126 E HN 0.633 nan 8.360 nan 0.000 0.486 127 Q N 1.224 120.644 119.800 -0.634 0.000 2.628 127 Q HA 0.207 4.547 4.340 0.000 0.000 0.397 127 Q C -2.559 173.161 176.000 -0.467 0.000 0.916 127 Q CA -1.779 53.443 55.803 -0.969 0.000 1.071 127 Q CB 0.973 29.471 28.738 -0.400 0.000 1.367 127 Q HN 0.025 nan 8.270 nan 0.000 0.404 128 P HA 0.050 nan 4.420 nan 0.000 0.271 128 P C 0.792 178.243 177.300 0.251 0.000 1.226 128 P CA 0.790 63.891 63.100 0.003 0.000 0.765 128 P CB 0.912 32.611 31.700 -0.002 0.000 0.835 129 G N 3.157 112.059 108.800 0.170 0.000 2.159 129 G HA2 -0.362 3.598 3.960 0.000 0.000 0.256 129 G HA3 -0.362 3.598 3.960 0.000 0.000 0.256 129 G C 0.875 175.929 174.900 0.257 0.000 0.977 129 G CA 0.378 45.584 45.100 0.177 0.000 0.652 129 G HN 0.461 nan 8.290 nan 0.000 0.531 130 M N 2.058 121.858 119.600 0.333 0.000 2.260 130 M HA -0.051 4.429 4.480 0.000 0.000 0.261 130 M C 2.631 179.114 176.300 0.305 0.000 1.066 130 M CA 2.599 58.116 55.300 0.362 0.000 1.082 130 M CB -0.462 32.351 32.600 0.354 0.000 1.388 130 M HN 0.910 nan 8.290 nan 0.000 0.419 131 S N -1.827 114.016 115.700 0.240 0.000 2.469 131 S HA -0.065 4.405 4.470 0.000 0.000 0.238 131 S C 1.724 176.455 174.600 0.218 0.000 0.998 131 S CA 1.423 59.755 58.200 0.220 0.000 0.957 131 S CB -0.635 62.658 63.200 0.155 0.000 0.764 131 S HN 0.515 nan 8.310 nan 0.000 0.514 132 S N 0.248 116.081 115.700 0.221 0.000 2.593 132 S HA 0.212 4.682 4.470 0.000 0.000 0.217 132 S C 0.212 174.939 174.600 0.212 0.000 0.966 132 S CA -0.515 57.804 58.200 0.199 0.000 0.914 132 S CB -0.478 62.843 63.200 0.202 0.000 0.776 132 S HN 0.728 nan 8.310 nan 0.000 0.523 133 Y N 3.631 123.999 120.300 0.112 0.000 2.712 133 Y HA 0.173 4.723 4.550 0.000 0.000 0.333 133 Y C 0.098 175.984 175.900 -0.025 0.000 1.225 133 Y CA -0.436 57.686 58.100 0.036 0.000 1.499 133 Y CB 0.175 38.590 38.460 -0.074 0.000 1.288 133 Y HN -0.031 nan 8.280 nan 0.000 0.575 134 N N 8.162 126.373 118.700 -0.815 0.000 2.511 134 N HA 0.342 5.082 4.740 0.000 0.000 0.249 134 N C -2.156 172.735 175.510 -1.032 0.000 0.971 134 N CA -2.610 50.031 53.050 -0.681 0.000 0.938 134 N CB 1.430 39.737 38.487 -0.301 0.000 1.131 134 N HN 0.352 nan 8.380 nan 0.000 0.505 135 P HA -0.117 nan 4.420 nan 0.000 0.220 135 P C 0.216 177.268 177.300 -0.412 0.000 1.144 135 P CA 1.096 63.885 63.100 -0.519 0.000 0.800 135 P CB 0.486 32.071 31.700 -0.192 0.000 0.772 136 N N -1.025 117.482 118.700 -0.321 0.000 2.422 136 N HA 0.002 4.742 4.740 0.000 0.000 0.181 136 N C 0.402 175.792 175.510 -0.200 0.000 1.080 136 N CA 0.630 53.544 53.050 -0.227 0.000 0.893 136 N CB 0.172 38.568 38.487 -0.151 0.000 0.973 136 N HN 0.010 nan 8.380 nan 0.000 0.456 137 S N 0.837 116.397 115.700 -0.234 0.000 2.317 137 S HA 0.260 4.731 4.470 0.000 0.000 0.144 137 S C -1.989 172.540 174.600 -0.118 0.000 1.660 137 S CA -1.112 57.009 58.200 -0.131 0.000 1.273 137 S CB 0.749 63.905 63.200 -0.074 0.000 1.330 137 S HN -0.037 nan 8.310 nan 0.000 0.395 138 P HA 0.114 nan 4.420 nan 0.000 0.217 138 P C 0.402 177.951 177.300 0.415 0.000 1.150 138 P CA 0.904 64.080 63.100 0.127 0.000 0.832 138 P CB 0.234 32.006 31.700 0.119 0.000 0.787 139 A N -2.245 120.786 122.820 0.352 0.000 2.536 139 A HA 0.596 4.916 4.320 0.000 0.000 0.293 139 A C -1.231 176.456 177.584 0.173 0.000 1.119 139 A CA -0.404 51.852 52.037 0.364 0.000 0.654 139 A CB 0.521 19.843 19.000 0.536 0.000 1.291 139 A HN -0.137 nan 8.150 nan 0.000 0.439 140 T N 1.090 115.637 114.554 -0.011 0.000 2.770 140 T HA 0.490 4.841 4.350 0.000 0.000 0.283 140 T C -0.470 174.007 174.700 -0.371 0.000 0.988 140 T CA 0.065 62.013 62.100 -0.253 0.000 0.957 140 T CB 0.384 68.891 68.868 -0.602 0.000 0.930 140 T HN 0.576 nan 8.240 nan 0.000 0.443 141 Y N 2.980 122.884 120.300 -0.660 0.000 2.757 141 Y HA 0.308 4.858 4.550 0.000 0.000 0.344 141 Y C 0.059 175.625 175.900 -0.557 0.000 1.263 141 Y CA 0.184 57.668 58.100 -1.028 0.000 1.493 141 Y CB 0.200 38.226 38.460 -0.724 0.000 1.342 141 Y HN 0.791 nan 8.280 nan 0.000 0.627 142 A N 4.728 126.594 122.820 -1.591 0.000 2.594 142 A HA 0.358 4.678 4.320 0.000 0.000 0.296 142 A C -1.457 175.443 177.584 -1.141 0.000 1.061 142 A CA -1.006 50.429 52.037 -1.002 0.000 0.689 142 A CB 0.844 19.595 19.000 -0.415 0.000 1.280 142 A HN 0.666 nan 8.150 nan 0.000 0.406 143 D N 1.401 121.370 120.400 -0.720 0.000 2.382 143 D HA 0.325 4.965 4.640 0.000 0.000 0.240 143 D C 0.145 176.064 176.300 -0.634 0.000 1.146 143 D CA 0.670 54.289 54.000 -0.634 0.000 0.897 143 D CB 0.789 41.060 40.800 -0.882 0.000 1.197 143 D HN 0.540 nan 8.370 nan 0.000 0.432 144 E N 0.288 120.192 120.200 -0.494 0.000 2.248 144 E HA 0.418 4.768 4.350 0.000 0.000 0.272 144 E C -0.777 175.474 176.600 -0.581 0.000 1.008 144 E CA -0.551 55.660 56.400 -0.314 0.000 0.856 144 E CB 1.202 30.846 29.700 -0.093 0.000 1.120 144 E HN 0.348 nan 8.360 nan 0.000 0.397 145 Y N 0.031 120.261 120.300 -0.116 0.000 2.570 145 Y HA 0.158 4.708 4.550 0.000 0.000 0.345 145 Y C 0.594 176.378 175.900 -0.194 0.000 1.014 145 Y CA -0.837 57.066 58.100 -0.328 0.000 1.063 145 Y CB 1.533 39.623 38.460 -0.616 0.000 1.272 145 Y HN 0.468 nan 8.280 nan 0.000 0.477 146 E N 0.197 120.296 120.200 -0.167 0.000 2.516 146 E HA 0.000 4.350 4.350 0.000 0.000 0.199 146 E C -0.883 175.743 176.600 0.044 0.000 1.069 146 E CA 0.662 57.002 56.400 -0.100 0.000 0.876 146 E CB 0.156 29.771 29.700 -0.142 0.000 0.843 146 E HN 0.453 nan 8.360 nan 0.000 0.530 147 D N -2.585 117.919 120.400 0.174 0.000 2.736 147 D HA 0.166 4.806 4.640 0.000 0.000 0.223 147 D C -2.223 174.286 176.300 0.348 0.000 1.231 147 D CA -1.988 52.171 54.000 0.265 0.000 0.818 147 D CB 1.682 42.662 40.800 0.300 0.000 1.587 147 D HN -0.341 nan 8.370 nan 0.000 0.463 148 P HA -0.135 nan 4.420 nan 0.000 0.218 148 P C 1.168 178.419 177.300 -0.082 0.000 1.148 148 P CA 0.999 64.220 63.100 0.202 0.000 0.822 148 P CB 0.048 31.824 31.700 0.127 0.000 0.784 149 S N -2.146 113.283 115.700 -0.452 0.000 2.469 149 S HA -0.183 4.287 4.470 0.000 0.000 0.238 149 S C 1.626 175.857 174.600 -0.616 0.000 0.998 149 S CA 0.791 58.314 58.200 -1.128 0.000 0.957 149 S CB -1.445 61.370 63.200 -0.642 0.000 0.764 149 S HN 0.131 nan 8.310 nan 0.000 0.514 150 Y N 0.331 120.424 120.300 -0.345 0.000 2.529 150 Y HA 0.347 4.897 4.550 0.000 0.000 0.290 150 Y C 0.223 175.833 175.900 -0.483 0.000 1.177 150 Y CA -0.326 57.481 58.100 -0.489 0.000 1.305 150 Y CB -0.139 37.893 38.460 -0.714 0.000 1.047 150 Y HN 0.280 nan 8.280 nan 0.000 0.522 151 Y N 0.843 121.133 120.300 -0.018 0.000 2.387 151 Y HA 0.379 4.929 4.550 0.000 0.000 0.330 151 Y C -2.032 173.928 175.900 0.100 0.000 1.133 151 Y CA -3.213 54.950 58.100 0.105 0.000 1.152 151 Y CB 0.582 39.148 38.460 0.178 0.000 1.215 151 Y HN -0.147 nan 8.280 nan 0.000 0.466 152 P HA 0.125 nan 4.420 nan 0.000 0.276 152 P C -0.720 176.725 177.300 0.242 0.000 1.244 152 P CA -0.636 62.664 63.100 0.333 0.000 0.801 152 P CB 1.250 33.085 31.700 0.225 0.000 1.006 153 S N 0.242 116.141 115.700 0.331 0.000 2.562 153 S HA 0.152 4.622 4.470 0.000 0.000 0.275 153 S C -0.237 174.454 174.600 0.152 0.000 1.281 153 S CA -0.541 57.800 58.200 0.235 0.000 1.045 153 S CB -0.051 63.258 63.200 0.181 0.000 0.962 153 S HN 0.380 nan 8.310 nan 0.000 0.503 154 E N 3.915 124.185 120.200 0.116 0.000 2.200 154 E HA 0.257 4.607 4.350 0.000 0.000 0.283 154 E C -0.560 176.020 176.600 -0.033 0.000 1.015 154 E CA -0.424 56.014 56.400 0.064 0.000 0.819 154 E CB 0.615 30.365 29.700 0.082 0.000 1.081 154 E HN 0.613 nan 8.360 nan 0.000 0.397 155 L N 4.298 125.465 121.223 -0.092 0.000 2.453 155 L HA 0.109 4.450 4.340 0.000 0.000 0.272 155 L C 0.415 177.140 176.870 -0.241 0.000 1.182 155 L CA 0.560 55.224 54.840 -0.293 0.000 0.858 155 L CB 0.277 42.031 42.059 -0.508 0.000 1.120 155 L HN 0.365 nan 8.230 nan 0.000 0.474 156 K N 3.670 123.915 120.400 -0.260 0.000 2.484 156 K HA 0.221 4.541 4.320 0.000 0.000 0.226 156 K C 0.291 176.824 176.600 -0.111 0.000 1.031 156 K CA -0.264 55.976 56.287 -0.079 0.000 1.026 156 K CB 0.654 33.188 32.500 0.057 0.000 1.412 156 K HN 0.374 nan 8.250 nan 0.000 0.492 157 F N 1.000 120.926 119.950 -0.040 0.000 2.216 157 F HA -0.205 4.322 4.527 0.000 0.000 0.300 157 F C 1.994 177.765 175.800 -0.049 0.000 1.085 157 F CA 1.985 59.952 58.000 -0.056 0.000 1.326 157 F CB 0.326 39.283 39.000 -0.072 0.000 1.027 157 F HN 0.633 nan 8.300 nan 0.000 0.497 158 D N -1.992 118.484 120.400 0.127 0.000 2.562 158 D HA 0.176 4.816 4.640 0.000 0.000 0.246 158 D C 1.158 177.465 176.300 0.013 0.000 1.347 158 D CA 0.718 54.754 54.000 0.059 0.000 0.800 158 D CB -0.574 40.258 40.800 0.053 0.000 1.111 158 D HN 0.137 nan 8.370 nan 0.000 0.508 159 T N -1.421 113.132 114.554 -0.003 0.000 3.043 159 T HA 0.399 4.749 4.350 0.000 0.000 0.272 159 T C -0.235 174.420 174.700 -0.074 0.000 0.990 159 T CA 0.174 62.256 62.100 -0.029 0.000 0.897 159 T CB 0.330 69.189 68.868 -0.016 0.000 1.111 159 T HN 0.188 nan 8.240 nan 0.000 0.529 160 V N 2.389 122.246 119.914 -0.094 0.000 2.385 160 V HA 0.495 4.615 4.120 0.000 0.000 0.277 160 V C -0.007 176.007 176.094 -0.134 0.000 1.012 160 V CA -1.057 61.137 62.300 -0.176 0.000 0.832 160 V CB 1.071 32.718 31.823 -0.295 0.000 1.028 160 V HN 0.332 nan 8.190 nan 0.000 0.436 161 R N 2.721 123.152 120.500 -0.115 0.000 2.491 161 R HA 0.573 4.913 4.340 0.000 0.000 0.283 161 R C -0.625 175.619 176.300 -0.093 0.000 1.072 161 R CA -0.040 56.010 56.100 -0.083 0.000 1.048 161 R CB 1.306 31.567 30.300 -0.066 0.000 0.983 161 R HN 0.493 nan 8.270 nan 0.000 0.450 162 V N 2.752 122.640 119.914 -0.043 0.000 2.975 162 V HA 0.501 4.621 4.120 0.000 0.000 0.318 162 V C 0.792 176.905 176.094 0.033 0.000 1.077 162 V CA -0.334 61.978 62.300 0.021 0.000 1.000 162 V CB 1.934 33.812 31.823 0.092 0.000 1.066 162 V HN 1.008 nan 8.190 nan 0.000 0.452 163 G N 1.088 109.956 108.800 0.113 0.000 2.588 163 G HA2 0.410 4.370 3.960 0.000 0.000 0.281 163 G HA3 0.410 4.370 3.960 0.000 0.000 0.281 163 G C -0.294 174.570 174.900 -0.060 0.000 1.236 163 G CA -0.244 44.905 45.100 0.082 0.000 0.969 163 G HN 0.625 nan 8.290 nan 0.000 0.504 164 S N -0.304 115.311 115.700 -0.142 0.000 2.508 164 S HA 0.270 4.740 4.470 0.000 0.000 0.284 164 S C -0.475 173.761 174.600 -0.607 0.000 1.192 164 S CA -0.402 57.599 58.200 -0.332 0.000 1.070 164 S CB 1.403 64.480 63.200 -0.206 0.000 1.004 164 S HN 0.610 nan 8.310 nan 0.000 0.493 165 D N 3.475 123.339 120.400 -0.893 0.000 2.365 165 D HA 0.252 4.892 4.640 0.000 0.000 0.237 165 D C -1.720 174.278 176.300 -0.503 0.000 1.190 165 D CA -1.972 51.413 54.000 -1.026 0.000 0.867 165 D CB 1.265 41.510 40.800 -0.925 0.000 1.050 165 D HN 0.176 nan 8.370 nan 0.000 0.491 166 P HA 0.075 nan 4.420 nan 0.000 0.262 166 P C 0.707 177.826 177.300 -0.302 0.000 1.304 166 P CA -0.025 62.830 63.100 -0.409 0.000 0.859 166 P CB 0.875 32.193 31.700 -0.636 0.000 1.310 167 V N -1.552 118.205 119.914 -0.261 0.000 3.572 167 V HA -0.004 4.116 4.120 0.000 0.000 0.260 167 V C 2.323 178.398 176.094 -0.033 0.000 1.324 167 V CA 0.469 62.718 62.300 -0.086 0.000 1.068 167 V CB -0.668 31.142 31.823 -0.023 0.000 0.837 167 V HN 0.099 nan 8.190 nan 0.000 0.450 168 H N 1.916 120.930 119.070 -0.094 0.000 2.289 168 H HA -0.186 4.370 4.556 0.000 0.000 0.296 168 H C 2.219 177.552 175.328 0.008 0.000 1.091 168 H CA 2.592 58.634 56.048 -0.009 0.000 1.274 168 H CB 0.087 29.923 29.762 0.123 0.000 1.364 168 H HN 0.342 nan 8.280 nan 0.000 0.490 169 N N 0.291 118.979 118.700 -0.021 0.000 2.104 169 N HA -0.159 4.582 4.740 0.000 0.000 0.190 169 N C 1.674 177.120 175.510 -0.107 0.000 1.024 169 N CA 1.493 54.506 53.050 -0.062 0.000 0.853 169 N CB -0.617 37.868 38.487 -0.003 0.000 1.008 169 N HN 0.524 nan 8.380 nan 0.000 0.424 170 D N 0.525 120.875 120.400 -0.083 0.000 2.117 170 D HA -0.046 4.594 4.640 0.000 0.000 0.197 170 D C 2.089 178.300 176.300 -0.149 0.000 0.987 170 D CA 0.718 54.668 54.000 -0.084 0.000 0.829 170 D CB -0.047 40.739 40.800 -0.024 0.000 0.961 170 D HN 0.168 nan 8.370 nan 0.000 0.460 171 L N -0.615 120.497 121.223 -0.185 0.000 2.027 171 L HA -0.115 4.225 4.340 0.000 0.000 0.206 171 L C 2.617 179.399 176.870 -0.147 0.000 1.074 171 L CA 0.482 55.194 54.840 -0.213 0.000 0.745 171 L CB -0.553 41.264 42.059 -0.403 0.000 0.898 171 L HN -0.015 nan 8.230 nan 0.000 0.433 172 V N -0.556 119.224 119.914 -0.225 0.000 2.250 172 V HA -0.366 3.755 4.120 0.000 0.000 0.250 172 V C 2.688 178.721 176.094 -0.101 0.000 1.060 172 V CA 2.194 64.408 62.300 -0.143 0.000 1.030 172 V CB -0.589 31.113 31.823 -0.202 0.000 0.643 172 V HN 0.392 nan 8.190 nan 0.000 0.445 173 S N -0.531 115.091 115.700 -0.130 0.000 2.381 173 S HA -0.311 4.159 4.470 0.000 0.000 0.230 173 S C 2.001 176.489 174.600 -0.185 0.000 1.052 173 S CA 1.984 60.108 58.200 -0.127 0.000 1.068 173 S CB -0.421 62.706 63.200 -0.122 0.000 0.918 173 S HN 0.721 nan 8.310 nan 0.000 0.448 174 A N -1.048 121.579 122.820 -0.322 0.000 1.997 174 A HA 0.226 4.546 4.320 0.000 0.000 0.212 174 A C 1.381 178.626 177.584 -0.566 0.000 1.178 174 A CA 0.594 52.295 52.037 -0.561 0.000 0.698 174 A CB -0.184 18.257 19.000 -0.933 0.000 0.842 174 A HN 0.592 nan 8.150 nan 0.000 0.458 175 Y N -1.129 119.164 120.300 -0.012 0.000 2.471 175 Y HA 0.453 5.003 4.550 0.000 0.000 0.249 175 Y C 1.358 177.299 175.900 0.069 0.000 1.116 175 Y CA -0.225 57.910 58.100 0.059 0.000 1.240 175 Y CB 0.154 38.743 38.460 0.215 0.000 1.251 175 Y HN 0.502 nan 8.280 nan 0.000 0.527 176 G N 1.380 110.269 108.800 0.148 0.000 2.660 176 G HA2 -0.188 3.772 3.960 0.000 0.000 0.247 176 G HA3 -0.188 3.772 3.960 0.000 0.000 0.247 176 G C -2.078 172.909 174.900 0.144 0.000 1.328 176 G CA -0.391 44.779 45.100 0.117 0.000 0.884 176 G HN -0.013 nan 8.290 nan 0.000 0.531 177 P HA 0.053 nan 4.420 nan 0.000 0.231 177 P C 0.484 177.900 177.300 0.194 0.000 1.168 177 P CA 0.665 63.867 63.100 0.170 0.000 0.779 177 P CB 0.040 31.839 31.700 0.165 0.000 0.844 178 N N 0.247 119.034 118.700 0.146 0.000 2.463 178 N HA 0.249 4.989 4.740 0.000 0.000 0.270 178 N C -0.015 175.463 175.510 -0.053 0.000 1.205 178 N CA -0.409 52.684 53.050 0.071 0.000 0.974 178 N CB 0.428 38.927 38.487 0.020 0.000 1.197 178 N HN -0.073 nan 8.380 nan 0.000 0.504 179 M N 1.380 120.850 119.600 -0.217 0.000 2.188 179 M HA 0.145 4.626 4.480 0.000 0.000 0.357 179 M C -1.173 174.683 176.300 -0.741 0.000 1.204 179 M CA -0.287 54.635 55.300 -0.630 0.000 1.095 179 M CB 0.301 32.302 32.600 -0.998 0.000 1.604 179 M HN 0.426 nan 8.290 nan 0.000 0.464 180 Y N 6.422 125.800 120.300 -1.536 0.000 2.960 180 Y HA 0.632 5.182 4.550 0.000 0.000 0.343 180 Y C -1.744 173.809 175.900 -0.579 0.000 1.106 180 Y CA -0.413 57.115 58.100 -0.954 0.000 1.221 180 Y CB 0.207 38.100 38.460 -0.944 0.000 1.232 180 Y HN 0.614 nan 8.280 nan 0.000 0.577 181 L N 3.230 124.126 121.223 -0.545 0.000 2.409 181 L HA 0.535 4.876 4.340 0.000 0.000 0.255 181 L C -0.700 176.048 176.870 -0.202 0.000 1.027 181 L CA -1.288 53.371 54.840 -0.302 0.000 0.834 181 L CB 2.572 44.511 42.059 -0.199 0.000 1.426 181 L HN 0.264 nan 8.230 nan 0.000 0.411 182 M N 0.884 120.412 119.600 -0.120 0.000 2.180 182 M HA 0.249 4.729 4.480 0.000 0.000 0.358 182 M C -0.382 176.001 176.300 0.138 0.000 1.233 182 M CA -0.435 54.822 55.300 -0.071 0.000 1.114 182 M CB 0.904 33.432 32.600 -0.121 0.000 1.594 182 M HN 0.437 nan 8.290 nan 0.000 0.467 183 H N 3.750 122.857 119.070 0.060 0.000 2.732 183 H HA -0.018 4.539 4.556 0.000 0.000 0.351 183 H C 0.643 176.123 175.328 0.253 0.000 1.090 183 H CA 0.072 56.211 56.048 0.153 0.000 1.431 183 H CB 0.686 30.412 29.762 -0.059 0.000 1.447 183 H HN 0.748 nan 8.280 nan 0.000 0.582 184 W N 5.262 126.254 121.300 -0.513 0.000 2.467 184 W HA 0.056 4.716 4.660 0.000 0.000 0.275 184 W C -1.106 175.357 176.519 -0.094 0.000 1.239 184 W CA -0.118 57.095 57.345 -0.221 0.000 1.266 184 W CB -0.229 29.126 29.460 -0.176 0.000 1.112 184 W HN 0.379 nan 8.180 nan 0.000 0.576 185 L N 1.777 122.408 121.223 -0.987 0.000 2.410 185 L HA 0.551 4.891 4.340 0.000 0.000 0.270 185 L C -0.772 176.049 176.870 -0.083 0.000 0.983 185 L CA -1.009 53.311 54.840 -0.865 0.000 0.822 185 L CB 2.000 43.060 42.059 -1.666 0.000 1.285 185 L HN 0.034 nan 8.230 nan 0.000 0.409 186 M N 4.080 123.659 119.600 -0.035 0.000 2.224 186 M HA 0.358 4.838 4.480 0.000 0.000 0.281 186 M C -1.627 174.701 176.300 0.047 0.000 1.025 186 M CA -0.543 54.798 55.300 0.068 0.000 0.954 186 M CB 1.607 34.251 32.600 0.074 0.000 1.639 186 M HN 0.616 nan 8.290 nan 0.000 0.461 187 D N 4.642 125.097 120.400 0.092 0.000 2.416 187 D HA 0.145 4.785 4.640 0.000 0.000 0.240 187 D C 0.896 177.256 176.300 0.100 0.000 1.250 187 D CA 0.030 54.126 54.000 0.160 0.000 0.967 187 D CB 0.749 41.700 40.800 0.252 0.000 1.059 187 D HN 0.530 nan 8.370 nan 0.000 0.512 188 V N 3.177 123.144 119.914 0.089 0.000 2.255 188 V HA -0.197 3.924 4.120 0.000 0.000 0.247 188 V C 1.328 177.433 176.094 0.018 0.000 1.051 188 V CA 1.635 63.940 62.300 0.009 0.000 1.018 188 V CB -0.134 31.718 31.823 0.049 0.000 0.641 188 V HN 0.528 nan 8.190 nan 0.000 0.445 189 D N -0.398 120.074 120.400 0.121 0.000 2.427 189 D HA 0.122 4.762 4.640 0.000 0.000 0.224 189 D C 0.518 176.877 176.300 0.098 0.000 1.157 189 D CA -0.042 54.020 54.000 0.104 0.000 0.828 189 D CB -0.304 40.592 40.800 0.160 0.000 0.974 189 D HN 0.420 nan 8.370 nan 0.000 0.498 190 N N 0.188 118.944 118.700 0.093 0.000 2.725 190 N HA -0.242 4.498 4.740 0.000 0.000 0.251 190 N C 0.463 175.977 175.510 0.007 0.000 1.031 190 N CA 0.186 53.272 53.050 0.060 0.000 0.720 190 N CB -1.426 37.077 38.487 0.027 0.000 0.930 190 N HN 0.449 nan 8.380 nan 0.000 0.543 191 W N 0.021 121.200 121.300 -0.202 0.000 2.402 191 W HA 0.008 4.669 4.660 0.000 0.000 0.286 191 W C 1.412 177.576 176.519 -0.593 0.000 1.221 191 W CA 1.281 58.360 57.345 -0.444 0.000 1.257 191 W CB -0.473 28.540 29.460 -0.746 0.000 1.120 191 W HN 0.416 nan 8.180 nan 0.000 0.551 192 Y N 0.223 120.265 120.300 -0.429 0.000 2.509 192 Y HA 0.125 4.675 4.550 0.000 0.000 0.293 192 Y C 2.395 177.705 175.900 -0.984 0.000 1.133 192 Y CA 1.624 59.250 58.100 -0.789 0.000 1.283 192 Y CB -0.478 37.613 38.460 -0.615 0.000 1.001 192 Y HN 0.138 nan 8.280 nan 0.000 0.555 193 G N -1.542 106.940 108.800 -0.529 0.000 2.176 193 G HA2 -0.323 3.637 3.960 0.000 0.000 0.253 193 G HA3 -0.323 3.637 3.960 0.000 0.000 0.253 193 G C 0.860 175.482 174.900 -0.463 0.000 0.979 193 G CA 0.358 45.164 45.100 -0.490 0.000 0.641 193 G HN 0.321 nan 8.290 nan 0.000 0.530 194 F N 1.517 121.351 119.950 -0.193 0.000 2.269 194 F HA 0.268 4.795 4.527 0.000 0.000 0.301 194 F C 2.244 178.100 175.800 0.093 0.000 1.082 194 F CA 0.913 58.840 58.000 -0.121 0.000 1.360 194 F CB -0.550 38.444 39.000 -0.010 0.000 1.041 194 F HN 0.401 nan 8.300 nan 0.000 0.512 195 G N -1.016 107.915 108.800 0.218 0.000 2.557 195 G HA2 0.363 4.324 3.960 0.000 0.000 0.302 195 G HA3 0.363 4.324 3.960 0.000 0.000 0.302 195 G C -0.578 174.412 174.900 0.149 0.000 1.311 195 G CA -0.503 44.711 45.100 0.190 0.000 1.030 195 G HN -0.078 nan 8.290 nan 0.000 0.509 196 T N 0.361 114.992 114.554 0.128 0.000 2.834 196 T HA 0.416 4.767 4.350 0.000 0.000 0.298 196 T C 1.529 176.270 174.700 0.069 0.000 0.966 196 T CA 1.179 63.340 62.100 0.101 0.000 1.141 196 T CB 0.568 69.491 68.868 0.092 0.000 0.905 196 T HN 1.455 nan 8.240 nan 0.000 0.535 197 G N 4.288 113.119 108.800 0.053 0.000 3.133 197 G HA2 -0.379 3.581 3.960 0.000 0.000 0.357 197 G HA3 -0.379 3.581 3.960 0.000 0.000 0.357 197 G C 1.108 176.020 174.900 0.021 0.000 1.229 197 G CA 1.276 46.395 45.100 0.031 0.000 1.018 197 G HN 0.700 nan 8.290 nan 0.000 0.635 198 T N 1.785 116.356 114.554 0.029 0.000 3.058 198 T HA 0.277 4.627 4.350 0.000 0.000 0.278 198 T C 0.922 175.634 174.700 0.020 0.000 0.974 198 T CA -0.006 62.108 62.100 0.024 0.000 0.893 198 T CB 0.101 68.982 68.868 0.023 0.000 1.138 198 T HN 0.449 nan 8.240 nan 0.000 0.529 199 R N 2.117 122.639 120.500 0.037 0.000 2.538 199 R HA 0.374 4.715 4.340 0.000 0.000 0.282 199 R C 0.433 176.740 176.300 0.011 0.000 1.009 199 R CA -0.095 56.031 56.100 0.042 0.000 1.063 199 R CB 0.312 30.666 30.300 0.090 0.000 0.945 199 R HN 0.282 nan 8.270 nan 0.000 0.414 200 A N 3.099 125.877 122.820 -0.071 0.000 2.540 200 A HA 0.129 4.449 4.320 0.000 0.000 0.239 200 A C -0.049 177.498 177.584 -0.061 0.000 1.061 200 A CA 0.458 52.425 52.037 -0.117 0.000 0.758 200 A CB 0.308 19.106 19.000 -0.338 0.000 0.991 200 A HN 0.653 nan 8.150 nan 0.000 0.502 201 T N 2.568 117.094 114.554 -0.047 0.000 2.928 201 T HA 0.437 4.788 4.350 0.000 0.000 0.296 201 T C -0.438 174.258 174.700 -0.007 0.000 1.000 201 T CA -0.217 61.876 62.100 -0.012 0.000 0.989 201 T CB 0.562 69.504 68.868 0.124 0.000 1.005 201 T HN 0.376 nan 8.240 nan 0.000 0.442 202 F N 4.174 124.185 119.950 0.101 0.000 2.571 202 F HA 0.255 4.782 4.527 0.000 0.000 0.390 202 F C 1.022 176.816 175.800 -0.010 0.000 1.043 202 F CA -0.391 57.638 58.000 0.048 0.000 1.164 202 F CB 0.013 39.012 39.000 -0.001 0.000 1.049 202 F HN 0.429 nan 8.300 nan 0.000 0.552 203 I N 0.523 121.209 120.570 0.193 0.000 2.957 203 I HA 0.678 4.848 4.170 0.000 0.000 0.310 203 I C -0.939 175.178 176.117 0.000 0.000 1.063 203 I CA -1.028 60.263 61.300 -0.015 0.000 1.033 203 I CB 2.293 40.269 38.000 -0.040 0.000 1.230 203 I HN 0.387 nan 8.210 nan 0.000 0.447 204 N N 0.373 118.890 118.700 -0.305 0.000 2.509 204 N HA 0.641 5.381 4.740 0.000 0.000 0.280 204 N C -0.316 174.898 175.510 -0.495 0.000 1.306 204 N CA 0.143 53.084 53.050 -0.182 0.000 0.782 204 N CB 2.456 40.938 38.487 -0.007 0.000 1.493 204 N HN 0.948 nan 8.380 nan 0.000 0.498 205 T N -2.567 111.931 114.554 -0.092 0.000 3.451 205 T HA 0.358 4.708 4.350 0.000 0.000 0.201 205 T C 0.324 174.926 174.700 -0.163 0.000 0.965 205 T CA -0.129 61.841 62.100 -0.215 0.000 1.088 205 T CB -0.660 68.062 68.868 -0.244 0.000 1.251 205 T HN 0.200 nan 8.240 nan 0.000 0.325 206 F N 3.386 123.361 119.950 0.042 0.000 2.604 206 F HA 0.266 4.793 4.527 0.000 0.000 0.393 206 F C 1.754 177.470 175.800 -0.139 0.000 1.043 206 F CA 0.379 58.372 58.000 -0.012 0.000 1.227 206 F CB 0.354 39.380 39.000 0.044 0.000 1.016 206 F HN 0.302 nan 8.300 nan 0.000 0.556 207 Q N 2.070 121.801 119.800 -0.116 0.000 2.104 207 Q HA 0.133 4.474 4.340 0.000 0.000 0.240 207 Q C 0.568 176.342 176.000 -0.376 0.000 0.743 207 Q CA 0.133 55.733 55.803 -0.339 0.000 0.920 207 Q CB 0.652 28.829 28.738 -0.934 0.000 1.198 207 Q HN 0.643 nan 8.270 nan 0.000 0.465 208 R N 1.059 121.349 120.500 -0.350 0.000 3.130 208 R HA 0.453 4.793 4.340 0.000 0.000 0.348 208 R C 0.238 176.349 176.300 -0.315 0.000 1.241 208 R CA 0.396 56.012 56.100 -0.806 0.000 1.141 208 R CB 0.916 30.869 30.300 -0.578 0.000 1.453 208 R HN 0.241 nan 8.270 nan 0.000 0.590 209 G N 1.656 110.394 108.800 -0.103 0.000 2.782 209 G HA2 -0.341 3.619 3.960 0.000 0.000 0.228 209 G HA3 -0.341 3.619 3.960 0.000 0.000 0.228 209 G C 0.727 175.586 174.900 -0.069 0.000 1.372 209 G CA -0.001 45.105 45.100 0.009 0.000 0.862 209 G HN 0.532 nan 8.290 nan 0.000 0.547 210 E N -0.753 119.340 120.200 -0.178 0.000 2.273 210 E HA -0.185 4.165 4.350 0.000 0.000 0.198 210 E C 1.491 178.104 176.600 0.022 0.000 1.002 210 E CA 1.680 57.925 56.400 -0.257 0.000 0.828 210 E CB -0.060 29.460 29.700 -0.300 0.000 0.747 210 E HN 0.510 nan 8.360 nan 0.000 0.491 211 Q N 0.576 120.437 119.800 0.101 0.000 2.179 211 Q HA 0.121 4.461 4.340 0.000 0.000 0.213 211 Q C -0.348 175.783 176.000 0.218 0.000 0.833 211 Q CA 0.027 55.923 55.803 0.156 0.000 0.990 211 Q CB 0.902 29.710 28.738 0.116 0.000 1.132 211 Q HN 0.367 nan 8.270 nan 0.000 0.493 212 E N 2.333 122.702 120.200 0.281 0.000 1.936 212 E HA 0.133 4.484 4.350 0.000 0.000 0.267 212 E C -0.211 176.635 176.600 0.410 0.000 1.076 212 E CA -0.201 56.378 56.400 0.299 0.000 0.870 212 E CB 0.495 30.348 29.700 0.254 0.000 1.093 212 E HN 0.126 nan 8.360 nan 0.000 0.411 213 S N 2.396 118.290 115.700 0.324 0.000 2.617 213 S HA 0.037 4.507 4.470 0.000 0.000 0.259 213 S C 1.279 176.045 174.600 0.278 0.000 1.301 213 S CA -0.117 58.280 58.200 0.329 0.000 0.984 213 S CB 1.185 64.575 63.200 0.317 0.000 0.954 213 S HN 0.461 nan 8.310 nan 0.000 0.572 214 T N 0.055 114.727 114.554 0.197 0.000 2.803 214 T HA -0.120 4.230 4.350 0.000 0.000 0.269 214 T C 1.045 175.621 174.700 -0.206 0.000 1.052 214 T CA 1.699 63.729 62.100 -0.116 0.000 1.136 214 T CB -0.548 68.190 68.868 -0.217 0.000 0.864 214 T HN 0.752 nan 8.240 nan 0.000 0.467 215 W N 1.866 123.178 121.300 0.020 0.000 2.595 215 W HA 0.108 4.768 4.660 0.000 0.000 0.257 215 W C 1.675 178.307 176.519 0.188 0.000 1.267 215 W CA 0.074 57.429 57.345 0.017 0.000 1.300 215 W CB -0.096 29.282 29.460 -0.137 0.000 1.120 215 W HN 0.319 nan 8.180 nan 0.000 0.618 216 E N -0.225 120.150 120.200 0.292 0.000 2.585 216 E HA 0.062 4.412 4.350 0.000 0.000 0.206 216 E C 0.501 177.181 176.600 0.133 0.000 1.007 216 E CA -0.043 56.495 56.400 0.231 0.000 1.028 216 E CB 0.155 29.989 29.700 0.225 0.000 1.087 216 E HN -0.010 nan 8.360 nan 0.000 0.455 217 T N -1.926 112.657 114.554 0.049 0.000 2.948 217 T HA 0.615 4.965 4.350 0.000 0.000 0.285 217 T C 0.141 174.856 174.700 0.025 0.000 1.019 217 T CA -0.766 61.308 62.100 -0.042 0.000 1.013 217 T CB 1.466 70.158 68.868 -0.292 0.000 1.117 217 T HN -0.020 nan 8.240 nan 0.000 0.533 218 I N 2.000 122.624 120.570 0.090 0.000 2.464 218 I HA 0.325 4.495 4.170 0.000 0.000 0.277 218 I C -2.561 173.589 176.117 0.055 0.000 1.040 218 I CA -2.612 58.760 61.300 0.121 0.000 1.153 218 I CB 1.650 39.787 38.000 0.228 0.000 1.274 218 I HN 0.389 nan 8.210 nan 0.000 0.469 219 P HA 0.018 nan 4.420 nan 0.000 0.264 219 P C -0.964 176.025 177.300 -0.519 0.000 1.183 219 P CA 0.609 63.443 63.100 -0.443 0.000 0.763 219 P CB 0.292 31.483 31.700 -0.847 0.000 0.807 220 H N 1.323 119.936 119.070 -0.761 0.000 3.037 220 H HA 0.474 5.030 4.556 0.000 0.000 0.355 220 H C -3.217 171.424 175.328 -1.145 0.000 1.263 220 H CA -2.816 52.388 56.048 -1.407 0.000 1.129 220 H CB 1.114 30.153 29.762 -1.205 0.000 1.861 220 H HN 0.109 nan 8.280 nan 0.000 0.546 221 P HA 0.110 nan 4.420 nan 0.000 0.275 221 P C 0.347 177.561 177.300 -0.144 0.000 1.227 221 P CA -0.230 62.553 63.100 -0.528 0.000 0.781 221 P CB 1.611 33.109 31.700 -0.336 0.000 0.906 222 S N 1.754 117.399 115.700 -0.091 0.000 2.387 222 S HA 0.027 4.497 4.470 0.000 0.000 0.226 222 S C 1.130 175.664 174.600 -0.111 0.000 1.026 222 S CA 0.677 58.798 58.200 -0.131 0.000 0.972 222 S CB -0.436 62.595 63.200 -0.282 0.000 0.814 222 S HN 0.453 nan 8.310 nan 0.000 0.477 223 I N 2.583 123.149 120.570 -0.008 0.000 2.269 223 I HA 0.191 4.361 4.170 0.000 0.000 0.293 223 I C -0.194 175.961 176.117 0.063 0.000 1.106 223 I CA -0.335 60.995 61.300 0.049 0.000 1.248 223 I CB 0.700 38.761 38.000 0.101 0.000 1.444 223 I HN 0.007 nan 8.210 nan 0.000 0.497 224 E N 5.953 126.185 120.200 0.053 0.000 2.105 224 E HA 0.113 4.463 4.350 0.000 0.000 0.285 224 E C -0.018 176.517 176.600 -0.107 0.000 1.055 224 E CA 0.242 56.677 56.400 0.058 0.000 0.843 224 E CB 0.583 30.360 29.700 0.127 0.000 1.067 224 E HN 0.479 nan 8.360 nan 0.000 0.398 225 E N 3.993 124.156 120.200 -0.061 0.000 2.624 225 E HA 0.113 4.463 4.350 0.000 0.000 0.210 225 E C -0.439 176.086 176.600 -0.124 0.000 0.997 225 E CA -0.182 56.119 56.400 -0.164 0.000 0.999 225 E CB 0.007 29.692 29.700 -0.024 0.000 1.040 225 E HN 0.598 nan 8.360 nan 0.000 0.469 226 F N -1.199 118.808 119.950 0.094 0.000 3.100 226 F HA -0.364 4.163 4.527 0.000 0.000 0.283 226 F C 1.857 177.642 175.800 -0.025 0.000 0.841 226 F CA 1.300 59.325 58.000 0.042 0.000 1.026 226 F CB -2.310 36.698 39.000 0.013 0.000 1.209 226 F HN 0.213 nan 8.300 nan 0.000 0.487 227 K N -1.014 119.436 120.400 0.084 0.000 2.362 227 K HA 0.122 4.442 4.320 0.000 0.000 0.200 227 K C 0.420 176.703 176.600 -0.529 0.000 1.046 227 K CA 1.876 58.023 56.287 -0.234 0.000 0.952 227 K CB -0.417 31.895 32.500 -0.314 0.000 0.753 227 K HN 0.517 nan 8.250 nan 0.000 0.466 228 Y N -2.936 117.501 120.300 0.229 0.000 2.677 228 Y HA 0.479 5.029 4.550 0.000 0.000 0.334 228 Y C 1.410 177.312 175.900 0.004 0.000 1.154 228 Y CA -0.713 57.517 58.100 0.217 0.000 1.070 228 Y CB 1.813 40.556 38.460 0.472 0.000 1.294 228 Y HN 0.354 nan 8.280 nan 0.000 0.475 229 G N 0.172 108.972 108.800 0.001 0.000 2.520 229 G HA2 0.077 4.037 3.960 0.000 0.000 0.248 229 G HA3 0.077 4.037 3.960 0.000 0.000 0.248 229 G C 0.201 174.916 174.900 -0.308 0.000 1.161 229 G CA -0.185 44.579 45.100 -0.561 0.000 0.946 229 G HN 1.327 nan 8.290 nan 0.000 0.565 230 G N -0.689 107.852 108.800 -0.432 0.000 2.857 230 G HA2 0.671 4.631 3.960 0.000 0.000 0.217 230 G HA3 0.671 4.631 3.960 0.000 0.000 0.217 230 G C -1.145 173.482 174.900 -0.455 0.000 1.357 230 G CA 0.435 45.144 45.100 -0.651 0.000 1.033 230 G HN 0.595 nan 8.290 nan 0.000 0.571 231 P HA -0.024 nan 4.420 nan 0.000 0.218 231 P C 0.634 177.579 177.300 -0.591 0.000 1.148 231 P CA 0.916 63.762 63.100 -0.424 0.000 0.822 231 P CB 0.226 31.696 31.700 -0.383 0.000 0.784 232 N N -0.774 117.551 118.700 -0.624 0.000 2.458 232 N HA 0.182 4.922 4.740 0.000 0.000 0.274 232 N C 1.154 176.448 175.510 -0.359 0.000 1.242 232 N CA 0.636 53.152 53.050 -0.890 0.000 0.904 232 N CB 0.374 38.392 38.487 -0.782 0.000 1.206 232 N HN 0.063 nan 8.380 nan 0.000 0.510 233 G N 1.711 110.442 108.800 -0.115 0.000 2.634 233 G HA2 -0.380 3.580 3.960 0.000 0.000 0.318 233 G HA3 -0.380 3.580 3.960 0.000 0.000 0.318 233 G C 0.394 175.243 174.900 -0.086 0.000 1.207 233 G CA 0.674 45.853 45.100 0.131 0.000 0.987 233 G HN 0.344 nan 8.290 nan 0.000 0.547 234 F N 0.791 120.837 119.950 0.161 0.000 2.724 234 F HA 0.430 4.957 4.527 0.000 0.000 0.306 234 F C 2.521 178.166 175.800 -0.258 0.000 1.100 234 F CA 0.350 58.322 58.000 -0.046 0.000 1.255 234 F CB -0.083 38.880 39.000 -0.061 0.000 1.072 234 F HN 0.225 nan 8.300 nan 0.000 0.589 235 L N 0.810 122.101 121.223 0.114 0.000 2.010 235 L HA -0.297 4.044 4.340 0.000 0.000 0.219 235 L C 1.941 178.751 176.870 -0.100 0.000 1.077 235 L CA 2.026 56.916 54.840 0.084 0.000 0.773 235 L CB -0.776 41.388 42.059 0.175 0.000 0.892 235 L HN 0.236 nan 8.230 nan 0.000 0.436 236 D N -0.385 119.865 120.400 -0.250 0.000 2.352 236 D HA -0.080 4.560 4.640 0.000 0.000 0.232 236 D C 1.885 178.062 176.300 -0.205 0.000 1.055 236 D CA 0.490 54.372 54.000 -0.197 0.000 0.891 236 D CB -0.322 40.280 40.800 -0.331 0.000 0.897 236 D HN 0.362 nan 8.370 nan 0.000 0.529 237 L N -1.253 119.612 121.223 -0.597 0.000 2.270 237 L HA 0.040 4.380 4.340 0.000 0.000 0.210 237 L C 1.374 177.961 176.870 -0.472 0.000 1.104 237 L CA 0.655 54.969 54.840 -0.876 0.000 0.804 237 L CB -0.164 40.972 42.059 -1.539 0.000 0.937 237 L HN -0.037 nan 8.230 nan 0.000 0.450 238 F N -1.425 118.530 119.950 0.007 0.000 2.532 238 F HA 0.142 4.669 4.527 0.000 0.000 0.278 238 F C 1.253 177.159 175.800 0.176 0.000 0.975 238 F CA -0.182 57.855 58.000 0.061 0.000 1.292 238 F CB -0.522 38.453 39.000 -0.041 0.000 1.112 238 F HN -0.151 nan 8.300 nan 0.000 0.703 239 T N -1.030 113.711 114.554 0.312 0.000 2.848 239 T HA 0.703 5.053 4.350 0.000 0.000 0.285 239 T C -0.724 174.147 174.700 0.284 0.000 0.995 239 T CA -0.710 61.542 62.100 0.254 0.000 0.970 239 T CB 1.557 70.522 68.868 0.163 0.000 0.976 239 T HN 0.264 nan 8.240 nan 0.000 0.441 240 K N 2.421 122.967 120.400 0.243 0.000 2.258 240 K HA 0.574 4.894 4.320 0.000 0.000 0.284 240 K C -0.534 176.160 176.600 0.157 0.000 1.051 240 K CA -0.690 55.761 56.287 0.274 0.000 0.923 240 K CB 0.680 33.299 32.500 0.198 0.000 1.046 240 K HN 0.874 nan 8.250 nan 0.000 0.474 241 D N 0.753 121.169 120.400 0.028 0.000 2.423 241 D HA 0.613 5.253 4.640 0.000 0.000 0.235 241 D C 1.640 177.771 176.300 -0.281 0.000 1.011 241 D CA 0.160 54.081 54.000 -0.130 0.000 0.963 241 D CB 1.887 42.543 40.800 -0.240 0.000 1.349 241 D HN 0.391 nan 8.370 nan 0.000 0.508 242 R N 1.054 121.457 120.500 -0.162 0.000 2.080 242 R HA 0.144 4.485 4.340 0.000 0.000 0.236 242 R C 1.358 177.469 176.300 -0.314 0.000 1.137 242 R CA 2.183 58.158 56.100 -0.208 0.000 0.943 242 R CB -1.666 28.508 30.300 -0.211 0.000 0.846 242 R HN 0.648 nan 8.270 nan 0.000 0.431 243 S N -2.082 113.399 115.700 -0.365 0.000 2.677 243 S HA 0.808 5.278 4.470 0.000 0.000 0.304 243 S C -0.758 173.585 174.600 -0.429 0.000 1.108 243 S CA -0.801 57.213 58.200 -0.310 0.000 0.944 243 S CB 1.082 64.201 63.200 -0.135 0.000 1.127 243 S HN 0.440 nan 8.310 nan 0.000 0.511 244 Y N 0.050 120.412 120.300 0.103 0.000 2.406 244 Y HA 0.635 5.185 4.550 0.000 0.000 0.340 244 Y C 0.177 176.299 175.900 0.369 0.000 0.975 244 Y CA -0.688 57.529 58.100 0.194 0.000 1.056 244 Y CB 2.183 40.697 38.460 0.090 0.000 1.210 244 Y HN 0.917 nan 8.280 nan 0.000 0.448 245 A N 2.863 126.078 122.820 0.659 0.000 2.498 245 A HA 0.637 4.957 4.320 0.000 0.000 0.298 245 A C -1.308 176.467 177.584 0.318 0.000 1.075 245 A CA -1.277 51.092 52.037 0.554 0.000 0.714 245 A CB 1.234 20.505 19.000 0.451 0.000 1.299 245 A HN 0.751 nan 8.150 nan 0.000 0.407 246 K N 1.469 121.787 120.400 -0.138 0.000 2.472 246 K HA 0.237 4.557 4.320 0.000 0.000 0.280 246 K C 0.128 176.691 176.600 -0.062 0.000 1.028 246 K CA 0.610 56.667 56.287 -0.383 0.000 1.045 246 K CB 0.111 32.388 32.500 -0.372 0.000 0.902 246 K HN 0.778 nan 8.250 nan 0.000 0.478 247 Q N 3.216 122.997 119.800 -0.032 0.000 2.590 247 Q HA 0.471 4.811 4.340 0.000 0.000 0.295 247 Q C -1.395 174.601 176.000 -0.006 0.000 0.973 247 Q CA -1.201 54.576 55.803 -0.044 0.000 0.768 247 Q CB 1.444 30.250 28.738 0.113 0.000 1.479 247 Q HN 0.696 nan 8.270 nan 0.000 0.419 248 W N 0.543 121.748 121.300 -0.159 0.000 2.781 248 W HA 0.818 5.478 4.660 0.000 0.000 0.345 248 W C -1.121 175.161 176.519 -0.396 0.000 1.085 248 W CA -0.854 56.301 57.345 -0.316 0.000 1.198 248 W CB 1.495 30.723 29.460 -0.387 0.000 1.423 248 W HN 0.862 nan 8.180 nan 0.000 0.532 249 R N 1.707 121.956 120.500 -0.420 0.000 2.604 249 R HA 0.508 4.848 4.340 0.000 0.000 0.270 249 R C -2.350 173.430 176.300 -0.867 0.000 1.052 249 R CA -0.828 54.950 56.100 -0.536 0.000 0.902 249 R CB 1.119 31.413 30.300 -0.010 0.000 1.233 249 R HN 0.578 nan 8.270 nan 0.000 0.455 250 Y N -0.138 119.824 120.300 -0.564 0.000 2.499 250 Y HA 0.605 5.155 4.550 0.000 0.000 0.347 250 Y C -0.015 175.761 175.900 -0.206 0.000 0.987 250 Y CA -0.771 56.986 58.100 -0.572 0.000 1.044 250 Y CB 2.936 40.637 38.460 -1.265 0.000 1.245 250 Y HN 0.574 nan 8.280 nan 0.000 0.461 251 T N 3.255 118.107 114.554 0.497 0.000 2.848 251 T HA 0.283 4.633 4.350 0.000 0.000 0.285 251 T C -0.639 174.303 174.700 0.403 0.000 0.995 251 T CA -1.069 61.270 62.100 0.399 0.000 0.970 251 T CB 0.675 69.676 68.868 0.221 0.000 0.976 251 T HN 0.667 nan 8.240 nan 0.000 0.441 252 N N 1.389 120.372 118.700 0.472 0.000 2.495 252 N HA 0.574 5.314 4.740 0.000 0.000 0.280 252 N C -1.047 174.572 175.510 0.181 0.000 1.168 252 N CA -0.929 52.313 53.050 0.321 0.000 0.978 252 N CB 1.256 39.924 38.487 0.301 0.000 1.191 252 N HN 0.613 nan 8.380 nan 0.000 0.497 253 A N 1.450 124.326 122.820 0.093 0.000 2.328 253 A HA 0.449 4.770 4.320 0.000 0.000 0.318 253 A C -1.758 175.762 177.584 -0.107 0.000 1.347 253 A CA -1.434 50.564 52.037 -0.065 0.000 0.842 253 A CB 1.045 19.970 19.000 -0.125 0.000 1.148 253 A HN 0.700 nan 8.150 nan 0.000 0.499 254 P HA -0.144 nan 4.420 nan 0.000 0.226 254 P C 0.641 177.858 177.300 -0.139 0.000 1.153 254 P CA 1.232 64.317 63.100 -0.026 0.000 0.777 254 P CB 0.163 31.913 31.700 0.084 0.000 0.794 255 D N 0.689 120.850 120.400 -0.399 0.000 2.219 255 D HA -0.135 4.505 4.640 0.000 0.000 0.205 255 D C 1.810 177.955 176.300 -0.260 0.000 0.970 255 D CA 1.299 55.074 54.000 -0.375 0.000 0.851 255 D CB -0.922 39.519 40.800 -0.598 0.000 0.943 255 D HN 0.118 nan 8.370 nan 0.000 0.488 256 A N 1.085 123.779 122.820 -0.209 0.000 1.858 256 A HA -0.219 4.101 4.320 0.000 0.000 0.216 256 A C 2.192 179.725 177.584 -0.084 0.000 1.190 256 A CA 1.868 53.834 52.037 -0.118 0.000 0.617 256 A CB -0.760 18.224 19.000 -0.026 0.000 0.827 256 A HN 0.187 nan 8.150 nan 0.000 0.443 257 E N -0.339 119.832 120.200 -0.048 0.000 2.110 257 E HA -0.052 4.298 4.350 0.000 0.000 0.193 257 E C 2.072 178.673 176.600 0.001 0.000 0.988 257 E CA 1.149 57.550 56.400 0.002 0.000 0.804 257 E CB -0.515 29.214 29.700 0.048 0.000 0.745 257 E HN 0.584 nan 8.360 nan 0.000 0.458 258 G N 0.545 109.320 108.800 -0.042 0.000 2.433 258 G HA2 -0.334 3.626 3.960 0.000 0.000 0.216 258 G HA3 -0.334 3.626 3.960 0.000 0.000 0.216 258 G C 1.556 176.383 174.900 -0.122 0.000 1.186 258 G CA 0.815 45.879 45.100 -0.061 0.000 0.779 258 G HN 0.150 nan 8.290 nan 0.000 0.543 259 R N 0.512 120.887 120.500 -0.209 0.000 2.091 259 R HA -0.044 4.296 4.340 0.000 0.000 0.238 259 R C 2.872 179.010 176.300 -0.270 0.000 1.136 259 R CA 1.568 57.444 56.100 -0.374 0.000 0.959 259 R CB -0.395 29.606 30.300 -0.499 0.000 0.856 259 R HN 0.308 nan 8.270 nan 0.000 0.437 260 A N 0.815 123.585 122.820 -0.084 0.000 1.902 260 A HA -0.127 4.193 4.320 0.000 0.000 0.217 260 A C 2.132 179.842 177.584 0.210 0.000 1.181 260 A CA 1.349 53.452 52.037 0.111 0.000 0.623 260 A CB -0.427 18.663 19.000 0.151 0.000 0.818 260 A HN 0.357 nan 8.150 nan 0.000 0.443 261 I N -0.458 120.192 120.570 0.134 0.000 2.252 261 I HA -0.287 3.884 4.170 0.000 0.000 0.245 261 I C 2.791 178.897 176.117 -0.019 0.000 1.102 261 I CA 1.683 63.038 61.300 0.092 0.000 1.385 261 I CB -0.337 37.665 38.000 0.003 0.000 1.064 261 I HN 0.569 nan 8.210 nan 0.000 0.414 262 Q N 1.619 121.389 119.800 -0.050 0.000 2.050 262 Q HA -0.247 4.093 4.340 0.000 0.000 0.202 262 Q C 2.352 178.407 176.000 0.092 0.000 0.980 262 Q CA 2.041 57.868 55.803 0.040 0.000 0.840 262 Q CB -0.175 28.555 28.738 -0.013 0.000 0.898 262 Q HN 0.500 nan 8.270 nan 0.000 0.424 263 A N 0.372 123.142 122.820 -0.082 0.000 1.917 263 A HA -0.171 4.149 4.320 0.000 0.000 0.219 263 A C 2.193 179.944 177.584 0.278 0.000 1.182 263 A CA 1.850 53.948 52.037 0.102 0.000 0.633 263 A CB -0.779 18.294 19.000 0.121 0.000 0.819 263 A HN 0.337 nan 8.150 nan 0.000 0.448 264 V N -1.627 118.416 119.914 0.215 0.000 2.667 264 V HA -0.212 3.908 4.120 0.000 0.000 0.252 264 V C 2.228 178.443 176.094 0.203 0.000 1.065 264 V CA 1.618 64.046 62.300 0.214 0.000 1.083 264 V CB -1.089 30.840 31.823 0.177 0.000 0.692 264 V HN 0.729 nan 8.190 nan 0.000 0.468 265 Y N 0.005 120.219 120.300 -0.143 0.000 2.165 265 Y HA -0.268 4.282 4.550 0.000 0.000 0.286 265 Y C 2.107 177.748 175.900 -0.431 0.000 1.155 265 Y CA 1.873 59.710 58.100 -0.437 0.000 1.164 265 Y CB -0.240 37.767 38.460 -0.755 0.000 0.978 265 Y HN 0.293 nan 8.280 nan 0.000 0.513 266 W N -0.136 121.084 121.300 -0.134 0.000 2.418 266 W HA -0.011 4.649 4.660 0.000 0.000 0.292 266 W C 2.703 178.818 176.519 -0.674 0.000 1.213 266 W CA 1.269 58.152 57.345 -0.770 0.000 1.283 266 W CB -0.808 27.994 29.460 -1.096 0.000 1.119 266 W HN 0.109 nan 8.180 nan 0.000 0.542 267 A N 0.711 123.578 122.820 0.078 0.000 1.892 267 A HA -0.318 4.002 4.320 0.000 0.000 0.218 267 A C 1.972 179.417 177.584 -0.232 0.000 1.188 267 A CA 2.149 54.304 52.037 0.196 0.000 0.631 267 A CB -1.257 17.912 19.000 0.281 0.000 0.822 267 A HN 0.486 nan 8.150 nan 0.000 0.447 268 N N -0.363 118.195 118.700 -0.237 0.000 2.120 268 N HA -0.209 4.532 4.740 0.000 0.000 0.188 268 N C 1.912 177.213 175.510 -0.348 0.000 1.024 268 N CA 1.766 54.628 53.050 -0.313 0.000 0.852 268 N CB -0.190 38.175 38.487 -0.203 0.000 1.003 268 N HN 0.617 nan 8.380 nan 0.000 0.424 269 K N -0.079 120.043 120.400 -0.464 0.000 2.026 269 K HA -0.134 4.186 4.320 0.000 0.000 0.208 269 K C 1.969 178.529 176.600 -0.066 0.000 1.048 269 K CA 1.409 57.470 56.287 -0.376 0.000 0.929 269 K CB -0.197 31.960 32.500 -0.572 0.000 0.713 269 K HN 0.227 nan 8.250 nan 0.000 0.439 270 W N 0.458 121.792 121.300 0.056 0.000 2.409 270 W HA 0.085 4.745 4.660 0.000 0.000 0.299 270 W C 2.403 178.964 176.519 0.070 0.000 1.203 270 W CA 0.718 58.163 57.345 0.166 0.000 1.298 270 W CB -1.131 28.578 29.460 0.415 0.000 1.127 270 W HN 0.270 nan 8.180 nan 0.000 0.528 271 A N 0.772 123.492 122.820 -0.167 0.000 1.908 271 A HA -0.218 4.102 4.320 0.000 0.000 0.218 271 A C 2.095 179.558 177.584 -0.203 0.000 1.181 271 A CA 1.924 53.627 52.037 -0.557 0.000 0.627 271 A CB -0.682 17.553 19.000 -1.275 0.000 0.818 271 A HN 0.219 nan 8.150 nan 0.000 0.445 272 K N -0.566 119.734 120.400 -0.165 0.000 2.103 272 K HA -0.102 4.218 4.320 0.000 0.000 0.204 272 K C 1.779 178.364 176.600 -0.025 0.000 1.052 272 K CA 1.278 57.501 56.287 -0.107 0.000 0.945 272 K CB -0.166 32.257 32.500 -0.128 0.000 0.722 272 K HN 0.608 nan 8.250 nan 0.000 0.443 273 E N 0.855 121.076 120.200 0.035 0.000 2.333 273 E HA -0.182 4.168 4.350 0.000 0.000 0.198 273 E C 1.231 177.871 176.600 0.067 0.000 1.007 273 E CA 0.919 57.360 56.400 0.068 0.000 0.845 273 E CB 0.133 29.915 29.700 0.136 0.000 0.766 273 E HN 0.321 nan 8.360 nan 0.000 0.507 274 Q N -1.081 118.768 119.800 0.083 0.000 2.247 274 Q HA 0.145 4.485 4.340 0.000 0.000 0.204 274 Q C 0.815 176.849 176.000 0.056 0.000 0.872 274 Q CA 0.275 56.135 55.803 0.095 0.000 0.951 274 Q CB 1.251 30.107 28.738 0.197 0.000 1.099 274 Q HN 0.324 nan 8.270 nan 0.000 0.501 275 G N 1.927 110.736 108.800 0.016 0.000 2.187 275 G HA2 -0.337 3.623 3.960 0.000 0.000 0.261 275 G HA3 -0.337 3.623 3.960 0.000 0.000 0.261 275 G C 0.621 175.513 174.900 -0.014 0.000 1.000 275 G CA 0.848 45.944 45.100 -0.005 0.000 0.718 275 G HN 0.336 nan 8.290 nan 0.000 0.519 276 K N -0.266 120.117 120.400 -0.027 0.000 2.387 276 K HA 0.307 4.627 4.320 0.000 0.000 0.203 276 K C 2.420 178.919 176.600 -0.169 0.000 1.030 276 K CA 0.259 56.521 56.287 -0.041 0.000 1.099 276 K CB 0.337 32.884 32.500 0.079 0.000 0.863 276 K HN 0.268 nan 8.250 nan 0.000 0.529 277 G N 2.160 110.840 108.800 -0.200 0.000 2.596 277 G HA2 -0.408 3.552 3.960 0.000 0.000 0.223 277 G HA3 -0.408 3.552 3.960 0.000 0.000 0.223 277 G C 1.509 176.280 174.900 -0.215 0.000 1.120 277 G CA 1.915 46.865 45.100 -0.250 0.000 0.752 277 G HN 0.445 nan 8.290 nan 0.000 0.596 278 S N 1.057 116.671 115.700 -0.143 0.000 2.402 278 S HA 0.050 4.520 4.470 0.000 0.000 0.233 278 S C 2.477 177.016 174.600 -0.102 0.000 1.030 278 S CA 1.665 59.799 58.200 -0.110 0.000 1.003 278 S CB -0.459 62.700 63.200 -0.069 0.000 0.813 278 S HN 0.893 nan 8.310 nan 0.000 0.477 279 A N 0.772 123.532 122.820 -0.100 0.000 2.168 279 A HA 0.269 4.589 4.320 0.000 0.000 0.215 279 A C 2.084 179.634 177.584 -0.056 0.000 1.152 279 A CA 1.124 53.140 52.037 -0.036 0.000 0.716 279 A CB -0.551 18.493 19.000 0.073 0.000 0.794 279 A HN 1.317 nan 8.150 nan 0.000 0.465 280 V N -5.337 114.476 119.914 -0.168 0.000 3.432 280 V HA 0.535 4.656 4.120 0.000 0.000 0.298 280 V C 1.855 177.816 176.094 -0.222 0.000 1.464 280 V CA 0.565 62.761 62.300 -0.173 0.000 1.046 280 V CB -0.604 31.071 31.823 -0.246 0.000 0.887 280 V HN 0.334 nan 8.190 nan 0.000 0.441 281 A N 2.566 125.257 122.820 -0.215 0.000 1.903 281 A HA -0.234 4.086 4.320 0.000 0.000 0.219 281 A C 2.552 179.987 177.584 -0.250 0.000 1.191 281 A CA 3.123 55.018 52.037 -0.237 0.000 0.638 281 A CB -1.076 17.812 19.000 -0.186 0.000 0.823 281 A HN 1.133 nan 8.150 nan 0.000 0.451 282 S N -0.692 114.890 115.700 -0.197 0.000 2.402 282 S HA -0.079 4.391 4.470 0.000 0.000 0.229 282 S C 1.715 176.143 174.600 -0.286 0.000 1.021 282 S CA 1.296 59.378 58.200 -0.197 0.000 0.974 282 S CB -0.808 62.318 63.200 -0.122 0.000 0.800 282 S HN 0.281 nan 8.310 nan 0.000 0.484 283 V N 1.736 121.454 119.914 -0.326 0.000 2.407 283 V HA -0.111 4.009 4.120 0.000 0.000 0.248 283 V C 2.655 178.373 176.094 -0.628 0.000 1.055 283 V CA 1.514 63.475 62.300 -0.565 0.000 1.049 283 V CB -0.826 30.744 31.823 -0.421 0.000 0.662 283 V HN 0.459 nan 8.190 nan 0.000 0.455 284 V N 0.079 119.700 119.914 -0.488 0.000 2.343 284 V HA -0.248 3.872 4.120 0.000 0.000 0.247 284 V C 2.721 178.453 176.094 -0.603 0.000 1.051 284 V CA 2.361 64.292 62.300 -0.616 0.000 1.036 284 V CB -0.673 30.727 31.823 -0.705 0.000 0.654 284 V HN 0.678 nan 8.190 nan 0.000 0.451 285 S N -0.396 115.032 115.700 -0.453 0.000 2.382 285 S HA -0.254 4.216 4.470 0.000 0.000 0.228 285 S C 2.032 176.471 174.600 -0.269 0.000 1.027 285 S CA 1.855 59.857 58.200 -0.330 0.000 0.991 285 S CB -0.220 62.830 63.200 -0.251 0.000 0.823 285 S HN 0.630 nan 8.310 nan 0.000 0.469 286 K N 0.798 121.003 120.400 -0.325 0.000 2.103 286 K HA 0.181 4.501 4.320 0.000 0.000 0.204 286 K C 2.473 179.048 176.600 -0.041 0.000 1.052 286 K CA 1.031 57.183 56.287 -0.224 0.000 0.945 286 K CB -0.415 31.961 32.500 -0.206 0.000 0.722 286 K HN 0.445 nan 8.250 nan 0.000 0.443 287 A N 1.425 124.087 122.820 -0.264 0.000 1.933 287 A HA -0.125 4.195 4.320 0.000 0.000 0.218 287 A C 2.345 180.005 177.584 0.127 0.000 1.175 287 A CA 1.833 53.880 52.037 0.017 0.000 0.628 287 A CB -0.727 18.238 19.000 -0.058 0.000 0.814 287 A HN 0.322 nan 8.150 nan 0.000 0.444 288 A N 0.016 122.841 122.820 0.010 0.000 1.877 288 A HA -0.195 4.125 4.320 0.000 0.000 0.216 288 A C 2.123 179.752 177.584 0.075 0.000 1.186 288 A CA 2.135 54.200 52.037 0.047 0.000 0.620 288 A CB -0.520 18.437 19.000 -0.073 0.000 0.822 288 A HN 0.582 nan 8.150 nan 0.000 0.443 289 K N -0.768 119.636 120.400 0.006 0.000 2.009 289 K HA -0.211 4.110 4.320 0.000 0.000 0.210 289 K C 2.175 178.869 176.600 0.156 0.000 1.049 289 K CA 2.025 58.242 56.287 -0.117 0.000 0.929 289 K CB -0.321 31.933 32.500 -0.410 0.000 0.714 289 K HN 0.478 nan 8.250 nan 0.000 0.440 290 M N 0.224 120.030 119.600 0.343 0.000 2.106 290 M HA -0.158 4.322 4.480 0.000 0.000 0.259 290 M C 1.902 178.405 176.300 0.338 0.000 1.068 290 M CA 2.293 57.864 55.300 0.451 0.000 1.100 290 M CB -0.473 32.414 32.600 0.479 0.000 1.351 290 M HN 0.365 nan 8.290 nan 0.000 0.404 291 G N -0.347 108.597 108.800 0.240 0.000 2.418 291 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 291 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 291 G C 1.142 176.300 174.900 0.430 0.000 1.158 291 G CA 1.201 46.406 45.100 0.174 0.000 0.771 291 G HN 0.473 nan 8.290 nan 0.000 0.545 292 D N 0.197 120.803 120.400 0.343 0.000 2.123 292 D HA -0.078 4.562 4.640 0.000 0.000 0.196 292 D C 2.132 178.547 176.300 0.191 0.000 0.992 292 D CA 0.551 54.747 54.000 0.326 0.000 0.833 292 D CB -0.291 40.627 40.800 0.197 0.000 0.954 292 D HN 0.309 nan 8.370 nan 0.000 0.455 293 F N -0.138 119.906 119.950 0.157 0.000 2.365 293 F HA -0.068 4.459 4.527 0.000 0.000 0.300 293 F C 2.045 177.921 175.800 0.125 0.000 1.090 293 F CA 0.070 58.123 58.000 0.088 0.000 1.408 293 F CB -0.025 38.970 39.000 -0.009 0.000 1.060 293 F HN 0.012 nan 8.300 nan 0.000 0.534 294 L N 0.138 121.597 121.223 0.393 0.000 2.549 294 L HA -0.089 4.251 4.340 0.000 0.000 0.229 294 L C 2.058 179.074 176.870 0.243 0.000 1.158 294 L CA 1.202 56.259 54.840 0.363 0.000 0.842 294 L CB -0.972 41.410 42.059 0.537 0.000 0.952 294 L HN 0.026 nan 8.230 nan 0.000 0.452 295 R N -0.850 119.740 120.500 0.150 0.000 2.152 295 R HA -0.130 4.211 4.340 0.000 0.000 0.232 295 R C 1.855 178.249 176.300 0.157 0.000 1.117 295 R CA 0.922 56.997 56.100 -0.042 0.000 0.981 295 R CB -0.249 30.043 30.300 -0.013 0.000 0.870 295 R HN 0.439 nan 8.270 nan 0.000 0.451 296 N N 1.089 119.909 118.700 0.200 0.000 2.205 296 N HA -0.165 4.576 4.740 0.000 0.000 0.186 296 N C 0.580 176.219 175.510 0.215 0.000 1.015 296 N CA 1.509 54.702 53.050 0.239 0.000 0.862 296 N CB -0.197 38.381 38.487 0.152 0.000 0.986 296 N HN 0.306 nan 8.380 nan 0.000 0.429 297 D N -0.046 120.435 120.400 0.135 0.000 2.363 297 D HA 0.038 4.678 4.640 0.000 0.000 0.226 297 D C 1.189 177.496 176.300 0.012 0.000 1.020 297 D CA 0.336 54.391 54.000 0.092 0.000 0.892 297 D CB -0.043 40.833 40.800 0.127 0.000 0.900 297 D HN 0.306 nan 8.370 nan 0.000 0.531 298 M N -0.352 119.140 119.600 -0.180 0.000 2.494 298 M HA 0.167 4.647 4.480 0.000 0.000 0.232 298 M C -0.463 174.982 176.300 -1.425 0.000 1.137 298 M CA 0.239 55.154 55.300 -0.642 0.000 1.012 298 M CB 0.283 32.419 32.600 -0.773 0.000 1.567 298 M HN -0.127 nan 8.290 nan 0.000 0.486 299 F N -0.051 119.503 119.950 -0.659 0.000 2.508 299 F HA 0.297 4.824 4.527 0.000 0.000 0.325 299 F C 0.464 175.928 175.800 -0.560 0.000 1.090 299 F CA -1.731 55.824 58.000 -0.741 0.000 0.945 299 F CB 0.810 39.385 39.000 -0.709 0.000 1.156 299 F HN -0.080 nan 8.300 nan 0.000 0.463 300 D N 2.082 122.316 120.400 -0.277 0.000 2.515 300 D HA -0.078 4.562 4.640 0.000 0.000 0.232 300 D C 1.340 177.466 176.300 -0.290 0.000 1.157 300 D CA 0.500 54.434 54.000 -0.110 0.000 0.871 300 D CB 0.868 41.684 40.800 0.026 0.000 1.200 300 D HN 0.627 nan 8.370 nan 0.000 0.466 301 K N 1.739 122.010 120.400 -0.215 0.000 2.034 301 K HA -0.254 4.066 4.320 0.000 0.000 0.214 301 K C 0.593 176.891 176.600 -0.503 0.000 1.051 301 K CA 1.554 57.605 56.287 -0.394 0.000 0.931 301 K CB -0.139 32.118 32.500 -0.406 0.000 0.715 301 K HN 0.610 nan 8.250 nan 0.000 0.446 302 Y N -1.154 119.242 120.300 0.159 0.000 2.636 302 Y HA 0.227 4.777 4.550 0.000 0.000 0.260 302 Y C -0.680 175.406 175.900 0.310 0.000 1.177 302 Y CA -0.566 57.688 58.100 0.257 0.000 1.209 302 Y CB 0.183 38.801 38.460 0.264 0.000 1.166 302 Y HN 0.025 nan 8.280 nan 0.000 0.531 303 F N -1.984 118.049 119.950 0.137 0.000 3.080 303 F HA -0.296 4.231 4.527 0.000 0.000 0.292 303 F C 0.263 176.085 175.800 0.037 0.000 0.891 303 F CA -0.122 57.920 58.000 0.070 0.000 1.086 303 F CB -1.813 37.190 39.000 0.004 0.000 1.095 303 F HN -0.043 nan 8.300 nan 0.000 0.633 304 M N 0.213 119.882 119.600 0.116 0.000 2.241 304 M HA 0.181 4.662 4.480 0.000 0.000 0.335 304 M C 0.941 177.277 176.300 0.060 0.000 1.122 304 M CA -0.173 55.125 55.300 -0.002 0.000 1.164 304 M CB 0.526 32.980 32.600 -0.243 0.000 1.459 304 M HN 0.071 nan 8.290 nan 0.000 0.461 305 K N 1.227 121.648 120.400 0.036 0.000 2.485 305 K HA 0.130 4.450 4.320 0.000 0.000 0.277 305 K C -0.286 176.368 176.600 0.090 0.000 0.990 305 K CA -0.158 56.163 56.287 0.056 0.000 0.994 305 K CB 0.346 32.867 32.500 0.034 0.000 0.906 305 K HN 0.397 nan 8.250 nan 0.000 0.488 306 I N 2.472 123.095 120.570 0.089 0.000 2.533 306 I HA -0.013 4.157 4.170 0.000 0.000 0.284 306 I C 1.503 177.694 176.117 0.123 0.000 1.109 306 I CA 0.911 62.284 61.300 0.121 0.000 1.412 306 I CB -0.205 37.853 38.000 0.097 0.000 1.396 306 I HN 1.023 nan 8.210 nan 0.000 0.543 307 G N 5.073 113.971 108.800 0.165 0.000 2.176 307 G HA2 -0.291 3.669 3.960 0.000 0.000 0.253 307 G HA3 -0.291 3.669 3.960 0.000 0.000 0.253 307 G C 1.147 176.058 174.900 0.018 0.000 0.979 307 G CA 0.613 45.790 45.100 0.128 0.000 0.641 307 G HN 0.821 nan 8.290 nan 0.000 0.530 308 A N 0.023 122.865 122.820 0.037 0.000 1.978 308 A HA 0.122 4.442 4.320 0.000 0.000 0.220 308 A C 1.784 179.324 177.584 -0.073 0.000 1.170 308 A CA 2.304 54.336 52.037 -0.008 0.000 0.636 308 A CB -0.457 18.550 19.000 0.012 0.000 0.810 308 A HN 1.531 nan 8.150 nan 0.000 0.448 309 Q N -1.201 118.533 119.800 -0.110 0.000 2.461 309 Q HA -0.232 4.108 4.340 0.000 0.000 0.273 309 Q C -0.571 175.407 176.000 -0.037 0.000 1.163 309 Q CA 1.084 56.759 55.803 -0.213 0.000 0.929 309 Q CB -1.601 26.834 28.738 -0.504 0.000 1.334 309 Q HN 0.756 nan 8.270 nan 0.000 0.499 310 D N -1.194 119.234 120.400 0.047 0.000 2.713 310 D HA 0.198 4.838 4.640 0.000 0.000 0.306 310 D C -0.759 175.510 176.300 -0.051 0.000 1.299 310 D CA -0.747 53.263 54.000 0.017 0.000 0.823 310 D CB 1.001 41.776 40.800 -0.040 0.000 1.353 310 D HN -0.041 nan 8.370 nan 0.000 0.447 311 K N 0.506 120.817 120.400 -0.149 0.000 3.041 311 K HA 0.231 4.551 4.320 0.000 0.000 0.243 311 K C -0.318 176.131 176.600 -0.251 0.000 1.167 311 K CA -0.036 56.048 56.287 -0.337 0.000 1.235 311 K CB -0.069 32.205 32.500 -0.378 0.000 1.205 311 K HN 0.165 nan 8.250 nan 0.000 0.448 312 T N 3.770 118.222 114.554 -0.170 0.000 2.752 312 T HA 0.131 4.481 4.350 0.000 0.000 0.295 312 T C -2.370 172.267 174.700 -0.105 0.000 0.923 312 T CA -1.416 60.618 62.100 -0.111 0.000 1.112 312 T CB 0.588 69.417 68.868 -0.064 0.000 0.884 312 T HN 0.092 nan 8.240 nan 0.000 0.525 313 P HA 0.440 nan 4.420 nan 0.000 0.275 313 P C -0.875 176.419 177.300 -0.010 0.000 1.228 313 P CA -0.519 62.554 63.100 -0.044 0.000 0.786 313 P CB 0.613 32.286 31.700 -0.045 0.000 0.927 314 A N 1.734 124.572 122.820 0.030 0.000 2.299 314 A HA 0.634 4.955 4.320 0.000 0.000 0.332 314 A C 1.033 178.629 177.584 0.021 0.000 1.131 314 A CA 0.005 52.064 52.037 0.038 0.000 0.844 314 A CB 0.392 19.436 19.000 0.073 0.000 1.251 314 A HN 0.574 nan 8.150 nan 0.000 0.486 315 T N -2.074 112.488 114.554 0.013 0.000 3.085 315 T HA 0.358 4.708 4.350 0.000 0.000 0.241 315 T C 1.318 176.007 174.700 -0.018 0.000 0.988 315 T CA 0.975 63.067 62.100 -0.013 0.000 1.117 315 T CB -0.472 68.389 68.868 -0.011 0.000 0.978 315 T HN 0.938 nan 8.240 nan 0.000 0.454 316 G N 0.003 108.821 108.800 0.029 0.000 3.380 316 G HA2 0.353 4.313 3.960 0.000 0.000 0.188 316 G HA3 0.353 4.313 3.960 0.000 0.000 0.188 316 G C 0.096 175.006 174.900 0.017 0.000 1.892 316 G CA -0.435 44.699 45.100 0.055 0.000 0.912 316 G HN 0.378 nan 8.290 nan 0.000 0.609 317 Y N 0.961 121.319 120.300 0.097 0.000 2.493 317 Y HA 0.180 4.730 4.550 0.000 0.000 0.275 317 Y C 1.835 177.752 175.900 0.027 0.000 1.183 317 Y CA -0.227 57.934 58.100 0.101 0.000 1.258 317 Y CB 0.656 39.182 38.460 0.109 0.000 1.108 317 Y HN 0.192 nan 8.280 nan 0.000 0.521 318 D N -0.560 119.930 120.400 0.149 0.000 2.311 318 D HA -0.150 4.490 4.640 0.000 0.000 0.212 318 D C 1.870 178.208 176.300 0.064 0.000 0.972 318 D CA 1.541 55.597 54.000 0.094 0.000 0.887 318 D CB -0.043 40.803 40.800 0.078 0.000 0.915 318 D HN 0.363 nan 8.370 nan 0.000 0.497 319 S N -1.020 114.732 115.700 0.087 0.000 2.540 319 S HA 0.382 4.852 4.470 0.000 0.000 0.218 319 S C 0.769 175.295 174.600 -0.124 0.000 0.977 319 S CA -0.515 57.728 58.200 0.073 0.000 0.918 319 S CB 0.473 63.797 63.200 0.205 0.000 0.806 319 S HN 0.132 nan 8.310 nan 0.000 0.496 320 A N 2.088 124.690 122.820 -0.364 0.000 2.302 320 A HA 0.557 4.877 4.320 0.000 0.000 0.295 320 A C 0.707 177.818 177.584 -0.788 0.000 1.235 320 A CA -0.565 50.835 52.037 -1.062 0.000 0.876 320 A CB -0.086 17.950 19.000 -1.607 0.000 1.133 320 A HN 0.722 nan 8.150 nan 0.000 0.533 321 H N 0.284 119.054 119.070 -0.501 0.000 2.535 321 H HA 0.128 4.685 4.556 0.000 0.000 0.273 321 H C -0.136 175.052 175.328 -0.234 0.000 0.983 321 H CA 0.619 56.496 56.048 -0.284 0.000 1.238 321 H CB -0.490 29.144 29.762 -0.213 0.000 1.412 321 H HN 0.741 nan 8.280 nan 0.000 0.562 322 Y N -0.940 119.118 120.300 -0.402 0.000 4.668 322 Y HA -0.235 4.315 4.550 0.000 0.000 0.234 322 Y C -0.167 175.630 175.900 -0.171 0.000 1.056 322 Y CA 0.173 58.067 58.100 -0.342 0.000 2.025 322 Y CB -2.150 36.121 38.460 -0.314 0.000 1.613 322 Y HN 0.235 nan 8.280 nan 0.000 0.653 323 L N 0.111 121.419 121.223 0.142 0.000 2.400 323 L HA 0.436 4.777 4.340 0.000 0.000 0.264 323 L C 0.757 177.660 176.870 0.055 0.000 1.061 323 L CA -1.255 53.577 54.840 -0.013 0.000 0.799 323 L CB 0.373 42.225 42.059 -0.345 0.000 1.240 323 L HN -0.129 nan 8.230 nan 0.000 0.461 324 M N 1.834 121.471 119.600 0.060 0.000 2.266 324 M HA 0.249 4.729 4.480 0.000 0.000 0.340 324 M C 0.293 176.645 176.300 0.086 0.000 1.486 324 M CA -0.166 55.207 55.300 0.121 0.000 1.209 324 M CB 0.032 32.741 32.600 0.182 0.000 1.714 324 M HN 0.666 nan 8.290 nan 0.000 0.459 325 A N 4.166 127.029 122.820 0.073 0.000 2.267 325 A HA 0.156 4.477 4.320 0.000 0.000 0.271 325 A C 1.134 178.775 177.584 0.096 0.000 1.131 325 A CA -0.446 51.575 52.037 -0.027 0.000 0.818 325 A CB 0.164 19.115 19.000 -0.081 0.000 1.118 325 A HN 1.009 nan 8.150 nan 0.000 0.501 326 W N -0.843 120.333 121.300 -0.207 0.000 2.364 326 W HA -0.055 4.605 4.660 0.000 0.000 0.281 326 W C -0.282 176.372 176.519 0.225 0.000 1.219 326 W CA 2.393 59.672 57.345 -0.109 0.000 1.220 326 W CB -0.075 29.337 29.460 -0.080 0.000 1.127 326 W HN 0.683 nan 8.180 nan 0.000 0.556 327 Y N -3.525 116.898 120.300 0.204 0.000 2.732 327 Y HA 0.404 4.954 4.550 0.000 0.000 0.342 327 Y C -1.103 174.906 175.900 0.181 0.000 1.203 327 Y CA -1.469 56.725 58.100 0.157 0.000 1.092 327 Y CB 0.191 38.739 38.460 0.147 0.000 1.345 327 Y HN -0.394 nan 8.280 nan 0.000 0.458 328 T N 1.750 116.552 114.554 0.412 0.000 2.841 328 T HA 0.883 5.233 4.350 0.000 0.000 0.283 328 T C -0.682 174.413 174.700 0.659 0.000 1.000 328 T CA -0.253 62.105 62.100 0.431 0.000 0.977 328 T CB 1.433 70.469 68.868 0.280 0.000 0.979 328 T HN 1.017 nan 8.240 nan 0.000 0.446 329 A N 2.739 125.966 122.820 0.678 0.000 2.374 329 A HA 0.937 5.257 4.320 0.000 0.000 0.317 329 A C -1.610 176.269 177.584 0.492 0.000 1.094 329 A CA -1.067 51.346 52.037 0.626 0.000 0.765 329 A CB 1.224 20.558 19.000 0.556 0.000 1.268 329 A HN 1.007 nan 8.150 nan 0.000 0.438 330 W N 0.558 121.700 121.300 -0.263 0.000 3.296 330 W HA 0.735 5.395 4.660 0.000 0.000 0.314 330 W C -0.300 175.522 176.519 -1.162 0.000 1.238 330 W CA -0.337 56.546 57.345 -0.769 0.000 1.193 330 W CB 0.910 30.215 29.460 -0.258 0.000 1.383 330 W HN 1.181 nan 8.180 nan 0.000 0.545 331 G N 0.333 107.875 108.800 -2.097 0.000 2.687 331 G HA2 0.802 4.762 3.960 0.000 0.000 0.291 331 G HA3 0.802 4.762 3.960 0.000 0.000 0.291 331 G C -1.140 172.605 174.900 -1.923 0.000 1.420 331 G CA -0.343 43.504 45.100 -2.088 0.000 0.796 331 G HN 1.439 nan 8.290 nan 0.000 0.485 332 G N -1.907 105.544 108.800 -2.248 0.000 2.576 332 G HA2 0.666 4.626 3.960 0.000 0.000 0.290 332 G HA3 0.666 4.626 3.960 0.000 0.000 0.290 332 G C -0.274 173.659 174.900 -1.613 0.000 1.442 332 G CA 0.251 44.432 45.100 -1.532 0.000 0.792 332 G HN 1.277 nan 8.290 nan 0.000 0.491 333 G N -1.493 106.170 108.800 -1.894 0.000 2.432 333 G HA2 0.602 4.562 3.960 0.000 0.000 0.257 333 G HA3 0.602 4.562 3.960 0.000 0.000 0.257 333 G C 1.252 175.933 174.900 -0.364 0.000 1.238 333 G CA 0.522 44.894 45.100 -1.214 0.000 0.838 333 G HN 1.655 nan 8.290 nan 0.000 0.547 334 I N 1.896 122.396 120.570 -0.115 0.000 2.333 334 I HA 0.208 4.378 4.170 0.000 0.000 0.246 334 I C 2.482 178.586 176.117 -0.021 0.000 1.106 334 I CA 2.097 63.402 61.300 0.009 0.000 1.411 334 I CB -1.396 36.613 38.000 0.015 0.000 1.082 334 I HN 0.711 nan 8.210 nan 0.000 0.420 335 G N 0.397 109.185 108.800 -0.020 0.000 2.879 335 G HA2 0.243 4.203 3.960 0.000 0.000 0.200 335 G HA3 0.243 4.203 3.960 0.000 0.000 0.200 335 G C 1.281 176.195 174.900 0.023 0.000 1.437 335 G CA 1.445 46.561 45.100 0.027 0.000 0.835 335 G HN 1.218 nan 8.290 nan 0.000 0.640 336 A N -0.755 122.100 122.820 0.058 0.000 2.388 336 A HA 0.588 4.908 4.320 0.000 0.000 0.280 336 A C 0.646 178.211 177.584 -0.031 0.000 1.377 336 A CA 0.638 52.716 52.037 0.069 0.000 0.863 336 A CB 0.164 19.262 19.000 0.164 0.000 1.416 336 A HN 1.274 nan 8.150 nan 0.000 0.517 337 S N 0.660 116.391 115.700 0.052 0.000 2.461 337 S HA 0.632 5.103 4.470 0.000 0.000 0.322 337 S C -0.703 174.000 174.600 0.171 0.000 1.063 337 S CA -0.553 57.665 58.200 0.029 0.000 1.120 337 S CB -0.195 63.055 63.200 0.084 0.000 0.968 337 S HN 1.003 nan 8.310 nan 0.000 0.467 338 W N 0.747 122.131 121.300 0.139 0.000 3.213 338 W HA 0.792 5.452 4.660 0.000 0.000 0.318 338 W C -1.518 175.091 176.519 0.150 0.000 1.248 338 W CA -1.388 56.043 57.345 0.143 0.000 1.187 338 W CB 1.208 30.750 29.460 0.136 0.000 1.403 338 W HN 0.819 nan 8.180 nan 0.000 0.556 339 A N 2.803 125.953 122.820 0.550 0.000 2.549 339 A HA 0.869 5.189 4.320 0.000 0.000 0.297 339 A C -1.503 176.426 177.584 0.574 0.000 1.061 339 A CA -0.769 51.503 52.037 0.391 0.000 0.690 339 A CB 1.774 20.956 19.000 0.304 0.000 1.287 339 A HN 0.934 nan 8.150 nan 0.000 0.402 340 W N 1.115 122.643 121.300 0.380 0.000 2.975 340 W HA 0.840 5.500 4.660 0.000 0.000 0.342 340 W C -1.347 175.378 176.519 0.343 0.000 1.168 340 W CA -0.845 56.744 57.345 0.406 0.000 1.141 340 W CB 1.510 31.147 29.460 0.294 0.000 1.445 340 W HN 0.833 nan 8.180 nan 0.000 0.560 341 K N 2.396 123.169 120.400 0.621 0.000 2.525 341 K HA 0.557 4.877 4.320 0.000 0.000 0.254 341 K C -1.377 175.604 176.600 0.636 0.000 0.934 341 K CA -0.591 55.929 56.287 0.390 0.000 0.802 341 K CB 2.640 35.126 32.500 -0.023 0.000 1.295 341 K HN 0.663 nan 8.250 nan 0.000 0.433 342 I N 0.071 120.986 120.570 0.573 0.000 2.689 342 I HA 0.640 4.811 4.170 0.000 0.000 0.299 342 I C 0.326 176.552 176.117 0.182 0.000 1.059 342 I CA -0.856 60.658 61.300 0.357 0.000 1.055 342 I CB 2.087 40.236 38.000 0.249 0.000 1.243 342 I HN 0.637 nan 8.210 nan 0.000 0.425 343 G N 2.417 111.156 108.800 -0.101 0.000 2.735 343 G HA2 0.461 4.421 3.960 0.000 0.000 0.192 343 G HA3 0.461 4.421 3.960 0.000 0.000 0.192 343 G C -0.928 173.794 174.900 -0.296 0.000 1.547 343 G CA -0.294 44.699 45.100 -0.179 0.000 1.080 343 G HN 0.865 nan 8.290 nan 0.000 0.569 344 C N -2.263 116.828 119.300 -0.350 0.000 3.171 344 C HA 0.627 5.087 4.460 0.000 0.000 0.336 344 C C 1.208 175.989 174.990 -0.348 0.000 1.198 344 C CA -0.159 58.538 59.018 -0.535 0.000 1.319 344 C CB 1.080 28.281 27.740 -0.898 0.000 1.682 344 C HN 0.553 nan 8.230 nan 0.000 0.497 345 S N 1.479 116.857 115.700 -0.536 0.000 2.548 345 S HA 0.191 4.661 4.470 0.000 0.000 0.215 345 S C 0.107 174.442 174.600 -0.442 0.000 0.976 345 S CA 0.248 58.190 58.200 -0.432 0.000 0.908 345 S CB -0.259 62.641 63.200 -0.501 0.000 0.781 345 S HN 0.789 nan 8.310 nan 0.000 0.519 346 H N 1.137 120.043 119.070 -0.273 0.000 2.466 346 H HA 0.724 5.280 4.556 0.000 0.000 0.338 346 H C -0.331 174.831 175.328 -0.277 0.000 1.091 346 H CA -1.008 54.868 56.048 -0.287 0.000 1.207 346 H CB 1.255 30.819 29.762 -0.330 0.000 1.466 346 H HN 0.150 nan 8.280 nan 0.000 0.493 347 A N 3.125 125.866 122.820 -0.132 0.000 2.371 347 A HA 0.376 4.696 4.320 0.000 0.000 0.311 347 A C -1.092 176.512 177.584 0.033 0.000 1.068 347 A CA -0.610 51.355 52.037 -0.119 0.000 0.744 347 A CB 1.492 20.273 19.000 -0.364 0.000 1.239 347 A HN 0.752 nan 8.150 nan 0.000 0.435 348 H N 2.786 121.830 119.070 -0.044 0.000 2.466 348 H HA 0.348 4.904 4.556 0.000 0.000 0.338 348 H C 0.711 176.017 175.328 -0.038 0.000 1.091 348 H CA -0.699 55.285 56.048 -0.106 0.000 1.207 348 H CB 1.150 30.754 29.762 -0.265 0.000 1.466 348 H HN 0.722 nan 8.280 nan 0.000 0.493 349 F N 3.201 123.173 119.950 0.037 0.000 2.202 349 F HA -0.017 4.511 4.527 0.000 0.000 0.301 349 F C 1.762 177.578 175.800 0.027 0.000 1.082 349 F CA 1.397 59.326 58.000 -0.118 0.000 1.313 349 F CB -0.598 38.135 39.000 -0.446 0.000 1.024 349 F HN 0.524 nan 8.300 nan 0.000 0.495 350 G N -1.194 106.961 108.800 -1.075 0.000 2.535 350 G HA2 -0.238 3.722 3.960 0.000 0.000 0.218 350 G HA3 -0.238 3.722 3.960 0.000 0.000 0.218 350 G C 0.960 175.754 174.900 -0.176 0.000 1.122 350 G CA 0.601 45.077 45.100 -1.040 0.000 0.769 350 G HN 0.503 nan 8.290 nan 0.000 0.549 351 Y N 0.220 120.334 120.300 -0.311 0.000 2.449 351 Y HA 0.268 4.818 4.550 0.000 0.000 0.254 351 Y C 1.154 177.046 175.900 -0.013 0.000 1.140 351 Y CA -0.749 57.272 58.100 -0.131 0.000 1.272 351 Y CB 0.215 38.599 38.460 -0.127 0.000 1.114 351 Y HN 0.095 nan 8.280 nan 0.000 0.525 352 Q N 0.813 120.703 119.800 0.151 0.000 2.394 352 Q HA 0.106 4.446 4.340 0.000 0.000 0.248 352 Q C -0.160 175.988 176.000 0.247 0.000 0.992 352 Q CA 0.199 56.115 55.803 0.188 0.000 0.888 352 Q CB 0.696 29.508 28.738 0.124 0.000 1.257 352 Q HN 0.121 nan 8.270 nan 0.000 0.462 353 N N 1.897 120.742 118.700 0.242 0.000 2.710 353 N HA 0.216 4.956 4.740 0.000 0.000 0.244 353 N C -2.387 173.240 175.510 0.195 0.000 1.321 353 N CA -1.549 51.624 53.050 0.204 0.000 0.758 353 N CB 1.110 39.657 38.487 0.101 0.000 1.284 353 N HN 0.065 nan 8.380 nan 0.000 0.530 354 P HA -0.025 nan 4.420 nan 0.000 0.221 354 P C 1.353 178.683 177.300 0.049 0.000 1.150 354 P CA 0.464 63.640 63.100 0.127 0.000 0.800 354 P CB 0.176 31.865 31.700 -0.019 0.000 0.787 355 F N 1.478 121.419 119.950 -0.015 0.000 2.051 355 F HA -0.196 4.331 4.527 0.000 0.000 0.296 355 F C 2.478 178.226 175.800 -0.087 0.000 1.122 355 F CA 1.689 59.690 58.000 0.002 0.000 1.201 355 F CB -0.860 38.135 39.000 -0.009 0.000 0.978 355 F HN -0.160 nan 8.300 nan 0.000 0.472 356 Q N 0.827 120.567 119.800 -0.101 0.000 2.152 356 Q HA -0.164 4.176 4.340 0.000 0.000 0.206 356 Q C 2.307 177.981 176.000 -0.544 0.000 0.985 356 Q CA 1.901 57.493 55.803 -0.353 0.000 0.863 356 Q CB -1.082 27.524 28.738 -0.219 0.000 0.904 356 Q HN 0.565 nan 8.270 nan 0.000 0.422 357 G N 0.017 108.618 108.800 -0.333 0.000 2.446 357 G HA2 -0.300 3.660 3.960 0.000 0.000 0.217 357 G HA3 -0.300 3.660 3.960 0.000 0.000 0.217 357 G C 1.134 175.859 174.900 -0.292 0.000 1.168 357 G CA 0.788 45.741 45.100 -0.246 0.000 0.771 357 G HN 0.614 nan 8.290 nan 0.000 0.551 358 W N 1.178 122.076 121.300 -0.669 0.000 2.358 358 W HA -0.089 4.571 4.660 0.000 0.000 0.303 358 W C 2.396 178.462 176.519 -0.755 0.000 1.208 358 W CA 1.801 58.544 57.345 -1.003 0.000 1.274 358 W CB -0.388 28.544 29.460 -0.880 0.000 1.138 358 W HN 0.040 nan 8.180 nan 0.000 0.515 359 V N 0.734 120.080 119.914 -0.947 0.000 2.231 359 V HA -0.401 3.719 4.120 0.000 0.000 0.248 359 V C 2.446 178.060 176.094 -0.800 0.000 1.054 359 V CA 2.513 64.143 62.300 -1.117 0.000 1.015 359 V CB -1.531 29.617 31.823 -1.126 0.000 0.638 359 V HN 0.225 nan 8.190 nan 0.000 0.444 360 S N -0.117 115.161 115.700 -0.704 0.000 2.370 360 S HA -0.177 4.293 4.470 0.000 0.000 0.226 360 S C 2.134 176.548 174.600 -0.310 0.000 1.033 360 S CA 1.467 59.344 58.200 -0.538 0.000 1.011 360 S CB -0.504 62.070 63.200 -1.043 0.000 0.852 360 S HN 0.671 nan 8.310 nan 0.000 0.457 361 A N 0.812 123.469 122.820 -0.272 0.000 1.968 361 A HA -0.052 4.268 4.320 0.000 0.000 0.217 361 A C 2.290 179.760 177.584 -0.191 0.000 1.169 361 A CA 1.974 53.979 52.037 -0.052 0.000 0.638 361 A CB -0.593 18.522 19.000 0.191 0.000 0.812 361 A HN 0.623 nan 8.150 nan 0.000 0.446 362 T N -4.943 109.322 114.554 -0.482 0.000 2.954 362 T HA 0.150 4.501 4.350 0.000 0.000 0.252 362 T C 0.404 174.834 174.700 -0.450 0.000 0.983 362 T CA -0.252 61.562 62.100 -0.478 0.000 0.941 362 T CB -0.000 68.457 68.868 -0.685 0.000 1.141 362 T HN 0.161 nan 8.240 nan 0.000 0.500 363 Q N 2.004 121.488 119.800 -0.527 0.000 2.294 363 Q HA 0.402 4.742 4.340 0.000 0.000 0.257 363 Q C 1.119 177.045 176.000 -0.123 0.000 0.955 363 Q CA -0.052 55.559 55.803 -0.320 0.000 0.936 363 Q CB 1.653 30.204 28.738 -0.312 0.000 1.188 363 Q HN 0.324 nan 8.270 nan 0.000 0.420 364 S N 2.995 118.632 115.700 -0.105 0.000 2.389 364 S HA -0.200 4.270 4.470 0.000 0.000 0.231 364 S C 0.806 175.344 174.600 -0.102 0.000 1.052 364 S CA 1.923 60.069 58.200 -0.090 0.000 1.053 364 S CB 0.208 63.355 63.200 -0.088 0.000 0.886 364 S HN 0.551 nan 8.310 nan 0.000 0.456 365 D N -0.713 119.620 120.400 -0.112 0.000 2.323 365 D HA 0.046 4.686 4.640 0.000 0.000 0.209 365 D C 0.665 176.686 176.300 -0.466 0.000 0.973 365 D CA 0.624 54.444 54.000 -0.300 0.000 0.874 365 D CB -0.105 40.436 40.800 -0.433 0.000 0.930 365 D HN 0.498 nan 8.370 nan 0.000 0.521 366 F N 0.995 120.826 119.950 -0.198 0.000 2.641 366 F HA 0.322 4.849 4.527 0.000 0.000 0.302 366 F C 1.050 176.749 175.800 -0.168 0.000 1.098 366 F CA -0.694 57.188 58.000 -0.197 0.000 1.318 366 F CB -0.077 38.773 39.000 -0.249 0.000 1.035 366 F HN -0.255 nan 8.300 nan 0.000 0.551 367 A N 1.828 124.632 122.820 -0.026 0.000 2.545 367 A HA 0.238 4.558 4.320 0.000 0.000 0.253 367 A C -2.121 175.467 177.584 0.006 0.000 1.074 367 A CA -0.998 51.023 52.037 -0.026 0.000 0.760 367 A CB -0.669 18.302 19.000 -0.048 0.000 1.005 367 A HN 0.007 nan 8.150 nan 0.000 0.506 368 P HA 0.027 nan 4.420 nan 0.000 0.264 368 P C 0.729 178.066 177.300 0.062 0.000 1.193 368 P CA -0.054 63.117 63.100 0.118 0.000 0.763 368 P CB 0.605 32.408 31.700 0.172 0.000 0.810 369 K N 2.191 122.637 120.400 0.077 0.000 2.211 369 K HA -0.058 4.262 4.320 0.000 0.000 0.203 369 K C 0.815 177.309 176.600 -0.177 0.000 1.050 369 K CA 0.674 56.914 56.287 -0.078 0.000 0.945 369 K CB -0.051 32.366 32.500 -0.138 0.000 0.732 369 K HN 0.657 nan 8.250 nan 0.000 0.451 370 S N -0.675 114.930 115.700 -0.159 0.000 2.596 370 S HA -0.024 4.446 4.470 0.000 0.000 0.260 370 S C 1.053 175.613 174.600 -0.067 0.000 1.336 370 S CA 0.043 58.150 58.200 -0.155 0.000 0.993 370 S CB 1.562 64.706 63.200 -0.093 0.000 0.923 370 S HN 0.204 nan 8.310 nan 0.000 0.567 371 S N 0.713 116.377 115.700 -0.059 0.000 2.425 371 S HA 0.029 4.499 4.470 0.000 0.000 0.225 371 S C 1.207 175.806 174.600 -0.003 0.000 1.024 371 S CA 0.547 58.727 58.200 -0.034 0.000 0.951 371 S CB -0.733 62.445 63.200 -0.037 0.000 0.796 371 S HN 0.770 nan 8.310 nan 0.000 0.498 372 N N 0.213 118.925 118.700 0.020 0.000 2.220 372 N HA 0.146 4.886 4.740 0.000 0.000 0.195 372 N C 1.641 177.188 175.510 0.061 0.000 1.123 372 N CA 0.582 53.656 53.050 0.040 0.000 0.874 372 N CB 0.183 38.715 38.487 0.076 0.000 0.995 372 N HN 0.489 nan 8.380 nan 0.000 0.498 373 G N 2.207 111.061 108.800 0.089 0.000 2.476 373 G HA2 -0.305 3.655 3.960 0.000 0.000 0.218 373 G HA3 -0.305 3.655 3.960 0.000 0.000 0.218 373 G C 1.527 176.559 174.900 0.220 0.000 1.164 373 G CA 0.824 46.025 45.100 0.169 0.000 0.768 373 G HN 0.244 nan 8.290 nan 0.000 0.560 374 K N 0.258 120.748 120.400 0.149 0.000 2.044 374 K HA -0.162 4.159 4.320 0.000 0.000 0.210 374 K C 2.553 179.220 176.600 0.112 0.000 1.049 374 K CA 1.495 57.859 56.287 0.129 0.000 0.927 374 K CB -0.223 32.309 32.500 0.053 0.000 0.713 374 K HN 0.270 nan 8.250 nan 0.000 0.443 375 R N 0.448 120.975 120.500 0.045 0.000 2.073 375 R HA -0.147 4.193 4.340 0.000 0.000 0.234 375 R C 1.516 177.782 176.300 -0.058 0.000 1.134 375 R CA 2.110 58.199 56.100 -0.018 0.000 0.952 375 R CB -0.246 30.018 30.300 -0.060 0.000 0.850 375 R HN 0.267 nan 8.270 nan 0.000 0.433 376 D N -0.468 119.900 120.400 -0.054 0.000 2.117 376 D HA -0.193 4.447 4.640 0.000 0.000 0.197 376 D C 1.690 177.905 176.300 -0.142 0.000 0.987 376 D CA 1.166 55.097 54.000 -0.116 0.000 0.829 376 D CB -0.456 40.303 40.800 -0.068 0.000 0.961 376 D HN 0.373 nan 8.370 nan 0.000 0.460 377 W N 1.200 122.520 121.300 0.033 0.000 2.388 377 W HA -0.136 4.524 4.660 0.000 0.000 0.294 377 W C 2.557 179.137 176.519 0.102 0.000 1.212 377 W CA 1.095 58.478 57.345 0.064 0.000 1.271 377 W CB -0.408 29.085 29.460 0.055 0.000 1.126 377 W HN -0.094 nan 8.180 nan 0.000 0.535 378 T N -0.513 114.207 114.554 0.276 0.000 2.684 378 T HA -0.229 4.121 4.350 0.000 0.000 0.267 378 T C 1.561 176.167 174.700 -0.157 0.000 1.036 378 T CA 2.104 64.291 62.100 0.144 0.000 1.148 378 T CB -0.779 68.130 68.868 0.068 0.000 0.863 378 T HN 0.082 nan 8.240 nan 0.000 0.436 379 T N 1.234 115.640 114.554 -0.247 0.000 2.777 379 T HA -0.086 4.264 4.350 0.000 0.000 0.266 379 T C 2.342 176.779 174.700 -0.438 0.000 1.040 379 T CA 1.417 63.232 62.100 -0.475 0.000 1.141 379 T CB -0.403 67.968 68.868 -0.829 0.000 0.868 379 T HN 0.361 nan 8.240 nan 0.000 0.444 380 S N 0.653 116.202 115.700 -0.251 0.000 2.345 380 S HA -0.129 4.341 4.470 0.000 0.000 0.220 380 S C 2.053 176.703 174.600 0.083 0.000 1.031 380 S CA 1.573 59.727 58.200 -0.078 0.000 0.996 380 S CB -0.569 62.589 63.200 -0.070 0.000 0.882 380 S HN 0.745 nan 8.310 nan 0.000 0.445 381 Y N 1.173 121.575 120.300 0.170 0.000 2.274 381 Y HA 0.035 4.585 4.550 0.000 0.000 0.290 381 Y C 1.939 177.860 175.900 0.036 0.000 1.145 381 Y CA 1.529 59.710 58.100 0.136 0.000 1.203 381 Y CB -0.429 38.122 38.460 0.152 0.000 0.984 381 Y HN 0.155 nan 8.280 nan 0.000 0.533 382 K N 0.151 120.199 120.400 -0.587 0.000 2.057 382 K HA -0.146 4.174 4.320 0.000 0.000 0.206 382 K C 2.238 178.771 176.600 -0.112 0.000 1.050 382 K CA 1.357 57.400 56.287 -0.405 0.000 0.935 382 K CB -0.195 32.029 32.500 -0.461 0.000 0.715 382 K HN 0.164 nan 8.250 nan 0.000 0.439 383 R N 1.876 122.303 120.500 -0.122 0.000 2.081 383 R HA -0.116 4.224 4.340 0.000 0.000 0.235 383 R C 2.007 178.383 176.300 0.125 0.000 1.131 383 R CA 1.629 57.708 56.100 -0.035 0.000 0.960 383 R CB -0.248 29.958 30.300 -0.156 0.000 0.856 383 R HN 0.227 nan 8.270 nan 0.000 0.436 384 Q N -0.167 119.703 119.800 0.117 0.000 2.096 384 Q HA -0.146 4.194 4.340 0.000 0.000 0.204 384 Q C 2.155 178.355 176.000 0.333 0.000 0.982 384 Q CA 1.841 57.772 55.803 0.212 0.000 0.850 384 Q CB -0.206 28.688 28.738 0.259 0.000 0.901 384 Q HN 0.346 nan 8.270 nan 0.000 0.422 385 L N 0.581 121.942 121.223 0.230 0.000 2.083 385 L HA -0.216 4.124 4.340 0.000 0.000 0.209 385 L C 2.138 179.124 176.870 0.193 0.000 1.083 385 L CA 1.248 56.200 54.840 0.186 0.000 0.752 385 L CB -0.343 41.734 42.059 0.030 0.000 0.899 385 L HN 0.257 nan 8.230 nan 0.000 0.433 386 E N -0.660 119.661 120.200 0.202 0.000 2.150 386 E HA -0.217 4.133 4.350 0.000 0.000 0.193 386 E C 2.026 178.570 176.600 -0.094 0.000 0.985 386 E CA 0.901 57.381 56.400 0.135 0.000 0.814 386 E CB -0.116 29.803 29.700 0.366 0.000 0.752 386 E HN 0.304 nan 8.360 nan 0.000 0.466 387 F N 0.792 120.627 119.950 -0.192 0.000 2.095 387 F HA -0.245 4.282 4.527 0.000 0.000 0.298 387 F C 1.781 177.369 175.800 -0.353 0.000 1.104 387 F CA 1.437 59.085 58.000 -0.586 0.000 1.232 387 F CB -0.567 38.126 39.000 -0.512 0.000 0.987 387 F HN 0.013 nan 8.300 nan 0.000 0.475 388 Y N 0.439 120.613 120.300 -0.210 0.000 2.165 388 Y HA -0.289 4.261 4.550 0.000 0.000 0.286 388 Y C 2.617 178.287 175.900 -0.384 0.000 1.155 388 Y CA 2.013 59.929 58.100 -0.306 0.000 1.164 388 Y CB -0.823 37.533 38.460 -0.174 0.000 0.978 388 Y HN 0.191 nan 8.280 nan 0.000 0.513 389 Q N -1.798 117.906 119.800 -0.161 0.000 2.119 389 Q HA -0.233 4.108 4.340 0.000 0.000 0.201 389 Q C 1.985 177.837 176.000 -0.246 0.000 0.972 389 Q CA 1.531 57.175 55.803 -0.265 0.000 0.847 389 Q CB -0.565 28.124 28.738 -0.082 0.000 0.903 389 Q HN 0.658 nan 8.270 nan 0.000 0.433 390 W N 1.224 122.166 121.300 -0.597 0.000 2.388 390 W HA -0.087 4.574 4.660 0.000 0.000 0.294 390 W C 1.185 177.534 176.519 -0.284 0.000 1.212 390 W CA 1.023 58.139 57.345 -0.381 0.000 1.271 390 W CB -0.103 29.018 29.460 -0.565 0.000 1.126 390 W HN 0.010 nan 8.180 nan 0.000 0.535 391 L N 0.710 121.549 121.223 -0.640 0.000 2.554 391 L HA 0.024 4.364 4.340 0.000 0.000 0.226 391 L C 1.340 177.872 176.870 -0.564 0.000 1.137 391 L CA 0.268 54.601 54.840 -0.844 0.000 0.863 391 L CB -0.712 40.775 42.059 -0.953 0.000 0.985 391 L HN -0.113 nan 8.230 nan 0.000 0.451 392 Q N 1.430 121.006 119.800 -0.373 0.000 2.281 392 Q HA 0.075 4.416 4.340 0.000 0.000 0.267 392 Q C 0.518 176.457 176.000 -0.102 0.000 1.053 392 Q CA -0.307 55.348 55.803 -0.247 0.000 0.905 392 Q CB 0.744 29.289 28.738 -0.323 0.000 1.195 392 Q HN 0.374 nan 8.270 nan 0.000 0.398 393 S N 2.787 118.410 115.700 -0.127 0.000 2.587 393 S HA 0.141 4.611 4.470 0.000 0.000 0.260 393 S C 1.196 175.737 174.600 -0.099 0.000 1.353 393 S CA -0.135 57.997 58.200 -0.114 0.000 0.995 393 S CB 0.968 64.119 63.200 -0.082 0.000 0.912 393 S HN 0.749 nan 8.310 nan 0.000 0.568 394 A N 0.565 123.289 122.820 -0.158 0.000 1.978 394 A HA -0.091 4.230 4.320 0.000 0.000 0.220 394 A C 2.002 179.557 177.584 -0.048 0.000 1.170 394 A CA 1.876 53.853 52.037 -0.100 0.000 0.636 394 A CB -1.025 17.884 19.000 -0.153 0.000 0.810 394 A HN 0.876 nan 8.150 nan 0.000 0.448 395 E N -2.059 118.067 120.200 -0.123 0.000 2.086 395 E HA 0.296 4.646 4.350 0.000 0.000 0.190 395 E C 1.522 177.964 176.600 -0.263 0.000 0.975 395 E CA 1.202 57.508 56.400 -0.156 0.000 0.813 395 E CB -0.070 29.488 29.700 -0.236 0.000 0.768 395 E HN 0.681 nan 8.360 nan 0.000 0.457 396 G N -0.719 107.804 108.800 -0.461 0.000 2.977 396 G HA2 -0.081 3.880 3.960 0.000 0.000 0.211 396 G HA3 -0.081 3.880 3.960 0.000 0.000 0.211 396 G C 0.581 175.240 174.900 -0.401 0.000 0.994 396 G CA -0.333 44.596 45.100 -0.284 0.000 0.795 396 G HN 0.486 nan 8.290 nan 0.000 0.518 397 G N 0.716 108.830 108.800 -1.143 0.000 2.527 397 G HA2 0.494 4.454 3.960 0.000 0.000 0.248 397 G HA3 0.494 4.454 3.960 0.000 0.000 0.248 397 G C 0.164 174.984 174.900 -0.133 0.000 1.231 397 G CA -0.260 44.345 45.100 -0.825 0.000 0.838 397 G HN 0.307 nan 8.290 nan 0.000 0.570 398 I N 1.534 122.032 120.570 -0.120 0.000 2.371 398 I HA 0.347 4.517 4.170 0.000 0.000 0.290 398 I C 1.093 176.689 176.117 -0.868 0.000 1.028 398 I CA -1.050 59.876 61.300 -0.625 0.000 1.345 398 I CB 0.312 37.599 38.000 -1.189 0.000 1.407 398 I HN 0.534 nan 8.210 nan 0.000 0.501 399 A N 5.098 127.328 122.820 -0.983 0.000 2.292 399 A HA 0.564 4.884 4.320 0.000 0.000 0.265 399 A C 1.461 178.450 177.584 -0.991 0.000 1.133 399 A CA 0.311 51.475 52.037 -1.455 0.000 0.807 399 A CB -0.366 18.049 19.000 -0.974 0.000 1.102 399 A HN 0.867 nan 8.150 nan 0.000 0.502 400 G N -1.292 106.938 108.800 -0.949 0.000 2.524 400 G HA2 0.362 4.322 3.960 0.000 0.000 0.215 400 G HA3 0.362 4.322 3.960 0.000 0.000 0.215 400 G C 0.898 175.403 174.900 -0.657 0.000 1.239 400 G CA 1.545 46.156 45.100 -0.814 0.000 0.798 400 G HN 2.086 nan 8.290 nan 0.000 0.557 401 G N -1.752 106.724 108.800 -0.539 0.000 2.491 401 G HA2 0.586 4.546 3.960 0.000 0.000 0.183 401 G HA3 0.586 4.546 3.960 0.000 0.000 0.183 401 G C -1.340 173.556 174.900 -0.007 0.000 1.221 401 G CA 0.290 45.266 45.100 -0.205 0.000 0.996 401 G HN 1.574 nan 8.290 nan 0.000 0.474 402 A N -1.551 121.361 122.820 0.153 0.000 2.612 402 A HA 0.924 5.244 4.320 0.000 0.000 0.293 402 A C -0.663 176.949 177.584 0.046 0.000 1.075 402 A CA 0.607 52.757 52.037 0.187 0.000 0.680 402 A CB 1.555 20.835 19.000 0.467 0.000 1.279 402 A HN 1.824 nan 8.150 nan 0.000 0.411 403 T N -0.666 113.927 114.554 0.064 0.000 2.906 403 T HA 0.477 4.827 4.350 0.000 0.000 0.295 403 T C 0.258 175.048 174.700 0.151 0.000 1.061 403 T CA -0.267 61.895 62.100 0.104 0.000 1.000 403 T CB 1.524 70.482 68.868 0.149 0.000 1.103 403 T HN 0.703 nan 8.240 nan 0.000 0.486 404 N N 1.270 120.051 118.700 0.135 0.000 2.236 404 N HA 0.186 4.926 4.740 0.000 0.000 0.196 404 N C -0.231 175.420 175.510 0.235 0.000 1.114 404 N CA -0.020 53.177 53.050 0.245 0.000 0.859 404 N CB 0.556 39.172 38.487 0.214 0.000 0.982 404 N HN 0.335 nan 8.380 nan 0.000 0.493 405 S N 0.370 116.108 115.700 0.063 0.000 2.158 405 S HA 0.142 4.612 4.470 0.000 0.000 0.160 405 S C -1.173 173.455 174.600 0.046 0.000 1.693 405 S CA -0.765 57.309 58.200 -0.209 0.000 1.251 405 S CB -0.475 62.224 63.200 -0.836 0.000 1.153 405 S HN 0.291 nan 8.310 nan 0.000 0.439 406 W N 4.194 125.540 121.300 0.076 0.000 2.343 406 W HA -0.031 4.629 4.660 0.000 0.000 0.337 406 W C 0.199 176.713 176.519 -0.007 0.000 1.320 406 W CA 0.824 58.206 57.345 0.062 0.000 1.290 406 W CB -0.013 29.563 29.460 0.193 0.000 1.206 406 W HN 0.819 nan 8.180 nan 0.000 0.565 407 N N 2.667 121.030 118.700 -0.560 0.000 2.713 407 N HA -0.219 4.521 4.740 0.000 0.000 0.251 407 N C 0.851 176.227 175.510 -0.222 0.000 1.117 407 N CA 2.150 54.965 53.050 -0.393 0.000 0.770 407 N CB -1.537 36.833 38.487 -0.195 0.000 1.137 407 N HN 0.896 nan 8.380 nan 0.000 0.566 408 G N -0.748 107.954 108.800 -0.164 0.000 2.143 408 G HA2 -0.353 3.607 3.960 0.000 0.000 0.248 408 G HA3 -0.353 3.607 3.960 0.000 0.000 0.248 408 G C 0.556 175.386 174.900 -0.117 0.000 0.991 408 G CA 0.654 45.684 45.100 -0.117 0.000 0.689 408 G HN 0.566 nan 8.290 nan 0.000 0.522 409 R N -1.406 119.058 120.500 -0.060 0.000 2.592 409 R HA 0.324 4.664 4.340 0.000 0.000 0.439 409 R C 0.377 176.825 176.300 0.246 0.000 0.995 409 R CA -0.474 55.705 56.100 0.132 0.000 1.141 409 R CB 0.391 30.738 30.300 0.079 0.000 1.495 409 R HN 0.426 nan 8.270 nan 0.000 0.579 410 Y N 0.555 120.966 120.300 0.186 0.000 3.721 410 Y HA -0.318 4.233 4.550 0.000 0.000 0.218 410 Y C 0.193 176.180 175.900 0.145 0.000 1.188 410 Y CA 0.556 58.753 58.100 0.161 0.000 1.607 410 Y CB -2.039 36.471 38.460 0.083 0.000 1.496 410 Y HN 0.249 nan 8.280 nan 0.000 0.626 411 E N 0.659 121.028 120.200 0.282 0.000 2.409 411 E HA 0.073 4.423 4.350 0.000 0.000 0.257 411 E C 0.570 177.300 176.600 0.217 0.000 1.150 411 E CA -0.612 55.944 56.400 0.259 0.000 0.942 411 E CB 0.539 30.446 29.700 0.344 0.000 0.979 411 E HN 0.171 nan 8.360 nan 0.000 0.447 412 K N 1.623 122.073 120.400 0.083 0.000 2.326 412 K HA 0.048 4.369 4.320 0.000 0.000 0.275 412 K C -0.869 175.671 176.600 -0.100 0.000 1.018 412 K CA -0.319 55.935 56.287 -0.056 0.000 0.962 412 K CB 0.340 32.803 32.500 -0.062 0.000 0.953 412 K HN 0.289 nan 8.250 nan 0.000 0.475 413 Y N 3.409 123.549 120.300 -0.267 0.000 2.442 413 Y HA 0.131 4.681 4.550 0.000 0.000 0.330 413 Y C -1.720 173.897 175.900 -0.471 0.000 1.129 413 Y CA -2.890 54.880 58.100 -0.551 0.000 1.365 413 Y CB -0.509 37.746 38.460 -0.342 0.000 1.233 413 Y HN 0.531 nan 8.280 nan 0.000 0.529 414 P HA 0.012 nan 4.420 nan 0.000 0.266 414 P C -0.506 176.717 177.300 -0.129 0.000 1.186 414 P CA 0.027 62.974 63.100 -0.255 0.000 0.767 414 P CB 0.518 32.048 31.700 -0.282 0.000 0.820 415 A N 2.687 125.469 122.820 -0.063 0.000 2.561 415 A HA 0.382 4.702 4.320 0.000 0.000 0.234 415 A C 1.615 179.190 177.584 -0.014 0.000 1.055 415 A CA 0.753 52.775 52.037 -0.026 0.000 0.756 415 A CB -1.263 17.731 19.000 -0.011 0.000 0.986 415 A HN 0.926 nan 8.150 nan 0.000 0.505 416 G N 1.515 110.318 108.800 0.005 0.000 2.179 416 G HA2 -0.227 3.733 3.960 0.000 0.000 0.260 416 G HA3 -0.227 3.733 3.960 0.000 0.000 0.260 416 G C 0.514 175.433 174.900 0.031 0.000 0.977 416 G CA 0.654 45.766 45.100 0.020 0.000 0.641 416 G HN 1.239 nan 8.290 nan 0.000 0.533 417 T N 1.394 115.955 114.554 0.012 0.000 2.888 417 T HA 0.448 4.798 4.350 0.000 0.000 0.301 417 T C 0.731 175.489 174.700 0.096 0.000 1.001 417 T CA 0.946 63.053 62.100 0.012 0.000 1.147 417 T CB 1.300 70.089 68.868 -0.132 0.000 0.931 417 T HN 0.751 nan 8.240 nan 0.000 0.541 418 S N 3.072 118.869 115.700 0.162 0.000 2.586 418 S HA 0.610 5.080 4.470 0.000 0.000 0.274 418 S C 0.146 174.976 174.600 0.384 0.000 1.281 418 S CA -0.688 57.666 58.200 0.257 0.000 1.035 418 S CB 0.445 63.785 63.200 0.233 0.000 0.962 418 S HN 0.864 nan 8.310 nan 0.000 0.512 419 T N 1.261 116.029 114.554 0.356 0.000 2.906 419 T HA 0.687 5.037 4.350 0.000 0.000 0.295 419 T C -1.177 173.468 174.700 -0.091 0.000 1.075 419 T CA -0.716 61.515 62.100 0.217 0.000 1.005 419 T CB 1.297 70.272 68.868 0.178 0.000 1.136 419 T HN 0.603 nan 8.240 nan 0.000 0.498 420 F N 2.338 122.019 119.950 -0.449 0.000 2.659 420 F HA 0.460 4.987 4.527 0.000 0.000 0.342 420 F C -0.835 174.911 175.800 -0.090 0.000 1.168 420 F CA -1.155 56.428 58.000 -0.695 0.000 1.003 420 F CB 0.674 38.798 39.000 -1.460 0.000 1.267 420 F HN 0.806 nan 8.300 nan 0.000 0.463 421 Y N 4.543 124.514 120.300 -0.549 0.000 3.225 421 Y HA -0.188 4.362 4.550 0.000 0.000 0.211 421 Y C 1.493 177.343 175.900 -0.084 0.000 1.223 421 Y CA 1.331 59.242 58.100 -0.315 0.000 1.284 421 Y CB -1.237 36.976 38.460 -0.411 0.000 1.367 421 Y HN 1.132 nan 8.280 nan 0.000 0.566 422 G N -1.681 107.159 108.800 0.066 0.000 2.253 422 G HA2 -0.370 3.590 3.960 0.000 0.000 0.251 422 G HA3 -0.370 3.590 3.960 0.000 0.000 0.251 422 G C 0.428 175.518 174.900 0.317 0.000 0.998 422 G CA 0.220 45.425 45.100 0.174 0.000 0.621 422 G HN 0.413 nan 8.290 nan 0.000 0.524 423 M N 1.415 121.171 119.600 0.260 0.000 2.242 423 M HA 0.553 5.033 4.480 0.000 0.000 0.344 423 M C 0.784 177.183 176.300 0.166 0.000 1.140 423 M CA 0.286 55.745 55.300 0.265 0.000 1.160 423 M CB 1.293 34.035 32.600 0.236 0.000 1.491 423 M HN 0.459 nan 8.290 nan 0.000 0.459 424 A N 2.846 125.627 122.820 -0.065 0.000 2.328 424 A HA 0.278 4.598 4.320 0.000 0.000 0.284 424 A C -0.969 176.730 177.584 0.191 0.000 1.160 424 A CA -0.462 51.426 52.037 -0.248 0.000 0.818 424 A CB 0.111 18.568 19.000 -0.904 0.000 1.087 424 A HN 0.739 nan 8.150 nan 0.000 0.504 425 Y N 3.072 123.519 120.300 0.245 0.000 2.620 425 Y HA 0.318 4.868 4.550 0.000 0.000 0.330 425 Y C 0.137 176.092 175.900 0.092 0.000 1.186 425 Y CA 0.739 58.980 58.100 0.235 0.000 1.467 425 Y CB 0.573 39.098 38.460 0.108 0.000 1.262 425 Y HN 0.767 nan 8.280 nan 0.000 0.550 426 V N 8.240 127.662 119.914 -0.820 0.000 2.638 426 V HA 0.472 4.592 4.120 0.000 0.000 0.306 426 V C -2.466 172.877 176.094 -1.252 0.000 1.052 426 V CA -2.317 59.425 62.300 -0.930 0.000 0.885 426 V CB 2.275 33.776 31.823 -0.537 0.000 0.999 426 V HN 0.676 nan 8.190 nan 0.000 0.424 427 P HA 0.035 nan 4.420 nan 0.000 0.219 427 P C 0.169 176.848 177.300 -1.035 0.000 1.150 427 P CA 1.224 63.762 63.100 -0.937 0.000 0.814 427 P CB 0.046 31.448 31.700 -0.496 0.000 0.787 428 H N -1.794 117.017 119.070 -0.432 0.000 2.448 428 H HA 0.326 4.882 4.556 0.000 0.000 0.237 428 H C -2.476 172.594 175.328 -0.429 0.000 1.391 428 H CA -2.324 53.527 56.048 -0.328 0.000 1.477 428 H CB 0.316 29.984 29.762 -0.156 0.000 1.520 428 H HN 0.049 nan 8.280 nan 0.000 0.502 429 P HA -0.095 nan 4.420 nan 0.000 0.261 429 P C 1.028 177.921 177.300 -0.678 0.000 1.183 429 P CA 0.640 63.412 63.100 -0.547 0.000 0.761 429 P CB 1.004 32.423 31.700 -0.469 0.000 0.785 430 V N 1.437 120.831 119.914 -0.866 0.000 0.408 430 V HA -0.308 3.812 4.120 0.000 0.000 0.092 430 V C 0.105 175.510 176.094 -1.148 0.000 2.672 430 V CA 1.454 63.069 62.300 -1.141 0.000 3.778 430 V CB -2.257 28.575 31.823 -1.652 0.000 1.040 430 V HN 0.450 nan 8.190 nan 0.000 1.094 431 Y N -1.305 118.707 120.300 -0.481 0.000 2.425 431 Y HA 0.826 5.376 4.550 0.000 0.000 0.344 431 Y C 0.448 176.247 175.900 -0.168 0.000 0.969 431 Y CA -0.017 57.918 58.100 -0.274 0.000 1.052 431 Y CB 2.007 40.334 38.460 -0.223 0.000 1.215 431 Y HN 0.081 nan 8.280 nan 0.000 0.451 432 A N 0.876 123.720 122.820 0.040 0.000 2.259 432 A HA 0.181 4.501 4.320 0.000 0.000 0.213 432 A C -0.266 177.322 177.584 0.008 0.000 1.209 432 A CA 0.476 52.496 52.037 -0.028 0.000 0.910 432 A CB 0.206 19.176 19.000 -0.051 0.000 0.946 432 A HN 0.614 nan 8.150 nan 0.000 0.497 433 D N 0.689 121.144 120.400 0.091 0.000 2.358 433 D HA 0.449 5.089 4.640 0.000 0.000 0.253 433 D C -2.852 173.525 176.300 0.128 0.000 1.288 433 D CA -1.605 52.456 54.000 0.101 0.000 0.950 433 D CB 1.633 42.507 40.800 0.123 0.000 1.197 433 D HN 0.064 nan 8.370 nan 0.000 0.550 434 P HA 0.386 nan 4.420 nan 0.000 0.279 434 P C 0.505 177.828 177.300 0.037 0.000 1.276 434 P CA -0.554 62.587 63.100 0.069 0.000 0.801 434 P CB 0.574 32.335 31.700 0.101 0.000 1.127 435 G N 0.002 108.731 108.800 -0.118 0.000 2.353 435 G HA2 0.144 4.104 3.960 0.000 0.000 0.239 435 G HA3 0.144 4.104 3.960 0.000 0.000 0.239 435 G C 1.173 176.196 174.900 0.206 0.000 1.295 435 G CA 0.189 45.108 45.100 -0.301 0.000 0.884 435 G HN 0.539 nan 8.290 nan 0.000 0.537 436 S N 1.178 117.090 115.700 0.353 0.000 2.469 436 S HA -0.131 4.339 4.470 0.000 0.000 0.238 436 S C 1.501 176.582 174.600 0.801 0.000 0.998 436 S CA 1.161 59.663 58.200 0.503 0.000 0.957 436 S CB -0.016 63.379 63.200 0.323 0.000 0.764 436 S HN 0.521 nan 8.310 nan 0.000 0.514 437 N N 0.847 120.025 118.700 0.797 0.000 2.275 437 N HA 0.208 4.949 4.740 0.000 0.000 0.236 437 N C 1.136 177.148 175.510 0.836 0.000 1.154 437 N CA -0.130 53.330 53.050 0.683 0.000 0.866 437 N CB 0.065 38.573 38.487 0.035 0.000 1.093 437 N HN 0.645 nan 8.380 nan 0.000 0.515 438 Q N -0.995 119.269 119.800 0.773 0.000 2.137 438 Q HA -0.056 4.284 4.340 0.000 0.000 0.198 438 Q C -0.174 176.189 176.000 0.606 0.000 0.960 438 Q CA 0.475 56.657 55.803 0.632 0.000 0.847 438 Q CB 0.052 29.038 28.738 0.412 0.000 0.915 438 Q HN 0.386 nan 8.270 nan 0.000 0.448 439 W N 1.015 122.542 121.300 0.379 0.000 2.446 439 W HA 0.037 4.697 4.660 0.000 0.000 0.316 439 W C 0.441 177.139 176.519 0.299 0.000 1.376 439 W CA -0.845 56.640 57.345 0.234 0.000 1.300 439 W CB 0.054 29.523 29.460 0.015 0.000 1.351 439 W HN 0.187 nan 8.180 nan 0.000 0.530 440 F N 5.121 125.038 119.950 -0.055 0.000 2.236 440 F HA -0.128 4.399 4.527 0.000 0.000 0.302 440 F C 2.019 177.499 175.800 -0.533 0.000 1.073 440 F CA 2.395 60.312 58.000 -0.138 0.000 1.336 440 F CB -0.503 38.429 39.000 -0.114 0.000 1.040 440 F HN 0.475 nan 8.300 nan 0.000 0.507 441 G N -0.140 107.604 108.800 -1.759 0.000 2.503 441 G HA2 -0.332 3.628 3.960 0.000 0.000 0.221 441 G HA3 -0.332 3.628 3.960 0.000 0.000 0.221 441 G C 1.694 175.680 174.900 -1.524 0.000 1.131 441 G CA 1.119 44.823 45.100 -2.326 0.000 0.756 441 G HN 0.486 nan 8.290 nan 0.000 0.572 442 F N 0.554 119.976 119.950 -0.880 0.000 2.216 442 F HA -0.103 4.424 4.527 0.000 0.000 0.300 442 F C 3.066 178.862 175.800 -0.005 0.000 1.085 442 F CA 0.881 58.680 58.000 -0.335 0.000 1.326 442 F CB 0.035 38.908 39.000 -0.212 0.000 1.027 442 F HN 0.070 nan 8.300 nan 0.000 0.497 443 Q N 0.557 120.473 119.800 0.193 0.000 2.045 443 Q HA -0.228 4.113 4.340 0.000 0.000 0.206 443 Q C 2.581 178.765 176.000 0.308 0.000 0.991 443 Q CA 1.749 57.780 55.803 0.380 0.000 0.851 443 Q CB -1.076 27.705 28.738 0.071 0.000 0.911 443 Q HN 0.466 nan 8.270 nan 0.000 0.418 444 A N 0.319 123.176 122.820 0.061 0.000 1.845 444 A HA -0.172 4.148 4.320 0.000 0.000 0.215 444 A C 1.865 179.666 177.584 0.361 0.000 1.195 444 A CA 1.314 53.507 52.037 0.261 0.000 0.616 444 A CB -1.135 17.988 19.000 0.205 0.000 0.832 444 A HN 0.400 nan 8.150 nan 0.000 0.443 445 W N 0.122 121.491 121.300 0.114 0.000 2.321 445 W HA -0.117 4.544 4.660 0.000 0.000 0.306 445 W C 2.963 179.574 176.519 0.153 0.000 1.217 445 W CA 1.242 58.688 57.345 0.168 0.000 1.257 445 W CB -1.108 28.443 29.460 0.152 0.000 1.145 445 W HN 0.371 nan 8.180 nan 0.000 0.509 446 S N -1.464 114.482 115.700 0.409 0.000 2.427 446 S HA -0.042 4.428 4.470 0.000 0.000 0.224 446 S C 1.906 176.644 174.600 0.229 0.000 1.047 446 S CA 0.750 59.165 58.200 0.359 0.000 0.953 446 S CB -0.268 63.164 63.200 0.386 0.000 0.824 446 S HN -0.131 nan 8.310 nan 0.000 0.502 447 M N 1.707 121.311 119.600 0.007 0.000 2.213 447 M HA -0.014 4.466 4.480 0.000 0.000 0.263 447 M C 2.152 178.301 176.300 -0.252 0.000 1.062 447 M CA 1.078 56.113 55.300 -0.442 0.000 1.105 447 M CB -1.407 30.318 32.600 -1.457 0.000 1.385 447 M HN 0.407 nan 8.290 nan 0.000 0.417 448 Q N 1.048 120.830 119.800 -0.031 0.000 2.152 448 Q HA -0.206 4.134 4.340 0.000 0.000 0.206 448 Q C 1.940 177.978 176.000 0.063 0.000 0.985 448 Q CA 1.799 57.658 55.803 0.093 0.000 0.863 448 Q CB -0.104 28.781 28.738 0.245 0.000 0.904 448 Q HN 0.509 nan 8.270 nan 0.000 0.422 449 R N -0.893 119.641 120.500 0.056 0.000 2.073 449 R HA -0.035 4.305 4.340 0.000 0.000 0.229 449 R C 2.491 178.825 176.300 0.056 0.000 1.120 449 R CA 1.174 57.310 56.100 0.060 0.000 0.967 449 R CB -0.283 30.087 30.300 0.117 0.000 0.862 449 R HN 0.057 nan 8.270 nan 0.000 0.436 450 V N 1.212 121.082 119.914 -0.074 0.000 2.332 450 V HA -0.296 3.824 4.120 0.000 0.000 0.248 450 V C 2.311 178.442 176.094 0.061 0.000 1.055 450 V CA 1.615 63.845 62.300 -0.117 0.000 1.038 450 V CB -0.399 31.157 31.823 -0.445 0.000 0.651 450 V HN 0.285 nan 8.190 nan 0.000 0.450 451 M N -0.472 119.150 119.600 0.037 0.000 2.117 451 M HA -0.158 4.322 4.480 0.000 0.000 0.262 451 M C 2.149 178.529 176.300 0.134 0.000 1.065 451 M CA 1.555 56.941 55.300 0.145 0.000 1.114 451 M CB -1.316 31.378 32.600 0.158 0.000 1.361 451 M HN 0.440 nan 8.290 nan 0.000 0.408 452 E N -0.850 119.373 120.200 0.038 0.000 2.110 452 E HA -0.229 4.121 4.350 0.000 0.000 0.193 452 E C 1.975 178.605 176.600 0.050 0.000 0.988 452 E CA 1.172 57.528 56.400 -0.074 0.000 0.804 452 E CB -0.338 29.081 29.700 -0.468 0.000 0.745 452 E HN 0.524 nan 8.360 nan 0.000 0.458 453 Y N 0.181 120.530 120.300 0.082 0.000 2.181 453 Y HA -0.322 4.228 4.550 0.000 0.000 0.288 453 Y C 2.170 177.995 175.900 -0.124 0.000 1.146 453 Y CA 1.682 59.794 58.100 0.020 0.000 1.164 453 Y CB -0.363 38.088 38.460 -0.014 0.000 0.982 453 Y HN 0.074 nan 8.280 nan 0.000 0.515 454 Y N 0.257 120.442 120.300 -0.193 0.000 2.200 454 Y HA -0.237 4.313 4.550 0.000 0.000 0.290 454 Y C 2.420 178.177 175.900 -0.238 0.000 1.137 454 Y CA 1.538 59.454 58.100 -0.306 0.000 1.163 454 Y CB -0.754 37.667 38.460 -0.065 0.000 0.988 454 Y HN 0.274 nan 8.280 nan 0.000 0.518 455 L N 0.021 121.199 121.223 -0.074 0.000 1.990 455 L HA -0.250 4.090 4.340 0.000 0.000 0.213 455 L C 1.960 178.925 176.870 0.158 0.000 1.072 455 L CA 2.161 57.021 54.840 0.034 0.000 0.755 455 L CB -0.326 41.767 42.059 0.057 0.000 0.889 455 L HN 0.256 nan 8.230 nan 0.000 0.432 456 E N -1.066 119.103 120.200 -0.053 0.000 2.435 456 E HA -0.071 4.279 4.350 0.000 0.000 0.195 456 E C 1.775 178.173 176.600 -0.337 0.000 1.029 456 E CA 1.252 57.592 56.400 -0.100 0.000 0.865 456 E CB 0.212 29.782 29.700 -0.216 0.000 0.833 456 E HN 0.680 nan 8.360 nan 0.000 0.510 457 T N -4.324 109.810 114.554 -0.700 0.000 2.987 457 T HA 0.267 4.617 4.350 0.000 0.000 0.248 457 T C 1.594 175.614 174.700 -1.134 0.000 0.997 457 T CA 0.586 62.202 62.100 -0.808 0.000 1.013 457 T CB 0.456 68.621 68.868 -1.171 0.000 1.077 457 T HN 0.116 nan 8.240 nan 0.000 0.483 458 G N 2.343 110.068 108.800 -1.792 0.000 2.203 458 G HA2 -0.246 3.714 3.960 0.000 0.000 0.263 458 G HA3 -0.246 3.714 3.960 0.000 0.000 0.263 458 G C -0.196 174.125 174.900 -0.966 0.000 1.012 458 G CA 0.254 43.809 45.100 -2.576 0.000 0.749 458 G HN 0.751 nan 8.290 nan 0.000 0.512 459 D N 0.355 120.434 120.400 -0.534 0.000 2.402 459 D HA 0.315 4.956 4.640 0.000 0.000 0.268 459 D C 1.588 177.922 176.300 0.056 0.000 1.294 459 D CA 0.668 54.585 54.000 -0.139 0.000 0.945 459 D CB 0.321 41.126 40.800 0.008 0.000 1.112 459 D HN 0.085 nan 8.370 nan 0.000 0.517 460 S N 2.111 117.830 115.700 0.031 0.000 2.387 460 S HA -0.221 4.249 4.470 0.000 0.000 0.230 460 S C 1.924 176.555 174.600 0.051 0.000 1.035 460 S CA 1.577 59.814 58.200 0.062 0.000 1.014 460 S CB -0.115 63.118 63.200 0.054 0.000 0.836 460 S HN 0.712 nan 8.310 nan 0.000 0.466 461 S N -0.082 115.663 115.700 0.075 0.000 2.547 461 S HA 0.071 4.541 4.470 0.000 0.000 0.235 461 S C 1.328 175.969 174.600 0.068 0.000 0.980 461 S CA 0.524 58.778 58.200 0.089 0.000 0.941 461 S CB 0.057 63.329 63.200 0.121 0.000 0.763 461 S HN 0.280 nan 8.310 nan 0.000 0.532 462 V N 0.658 120.589 119.914 0.028 0.000 3.643 462 V HA 0.275 4.395 4.120 0.000 0.000 0.280 462 V C 2.165 178.151 176.094 -0.180 0.000 1.351 462 V CA 0.479 62.757 62.300 -0.037 0.000 1.073 462 V CB 0.083 31.943 31.823 0.061 0.000 0.863 462 V HN 0.511 nan 8.190 nan 0.000 0.436 463 K N 0.644 120.921 120.400 -0.206 0.000 2.057 463 K HA -0.169 4.151 4.320 0.000 0.000 0.207 463 K C 1.826 178.362 176.600 -0.106 0.000 1.049 463 K CA 1.919 58.044 56.287 -0.271 0.000 0.931 463 K CB -0.005 32.401 32.500 -0.156 0.000 0.714 463 K HN 0.427 nan 8.250 nan 0.000 0.440 464 N N 1.109 119.790 118.700 -0.031 0.000 2.106 464 N HA -0.164 4.576 4.740 0.000 0.000 0.188 464 N C 1.754 177.254 175.510 -0.016 0.000 1.029 464 N CA 1.104 54.165 53.050 0.017 0.000 0.848 464 N CB -0.477 38.056 38.487 0.078 0.000 1.007 464 N HN 0.163 nan 8.380 nan 0.000 0.423 465 L N 1.481 122.658 121.223 -0.076 0.000 1.978 465 L HA -0.131 4.209 4.340 0.000 0.000 0.218 465 L C 2.003 178.838 176.870 -0.057 0.000 1.075 465 L CA 1.545 56.310 54.840 -0.125 0.000 0.767 465 L CB -0.813 41.149 42.059 -0.161 0.000 0.890 465 L HN 0.097 nan 8.230 nan 0.000 0.434 466 I N -0.437 120.075 120.570 -0.096 0.000 2.127 466 I HA -0.311 3.859 4.170 0.000 0.000 0.241 466 I C 2.508 178.607 176.117 -0.030 0.000 1.075 466 I CA 1.531 62.787 61.300 -0.074 0.000 1.334 466 I CB -0.483 37.430 38.000 -0.146 0.000 1.040 466 I HN 0.290 nan 8.210 nan 0.000 0.405 467 K N 0.648 121.034 120.400 -0.023 0.000 2.057 467 K HA -0.229 4.091 4.320 0.000 0.000 0.207 467 K C 2.105 178.733 176.600 0.047 0.000 1.049 467 K CA 1.239 57.528 56.287 0.004 0.000 0.931 467 K CB -0.375 32.168 32.500 0.072 0.000 0.714 467 K HN 0.322 nan 8.250 nan 0.000 0.440 468 K N 0.020 120.469 120.400 0.081 0.000 2.057 468 K HA -0.191 4.130 4.320 0.000 0.000 0.207 468 K C 2.003 178.712 176.600 0.180 0.000 1.049 468 K CA 1.343 57.699 56.287 0.115 0.000 0.931 468 K CB -0.202 32.362 32.500 0.106 0.000 0.714 468 K HN 0.192 nan 8.250 nan 0.000 0.440 469 W N 0.811 122.122 121.300 0.018 0.000 2.388 469 W HA -0.182 4.478 4.660 0.000 0.000 0.294 469 W C 1.558 178.158 176.519 0.134 0.000 1.212 469 W CA 0.980 58.396 57.345 0.118 0.000 1.271 469 W CB -0.102 29.391 29.460 0.056 0.000 1.126 469 W HN -0.189 nan 8.180 nan 0.000 0.535 470 V N 0.890 120.893 119.914 0.148 0.000 2.307 470 V HA -0.309 3.811 4.120 0.000 0.000 0.245 470 V C 2.085 178.110 176.094 -0.115 0.000 1.045 470 V CA 2.347 64.596 62.300 -0.086 0.000 1.024 470 V CB -0.960 30.681 31.823 -0.304 0.000 0.651 470 V HN 0.048 nan 8.190 nan 0.000 0.449 471 D N -1.030 119.357 120.400 -0.022 0.000 2.116 471 D HA -0.251 4.389 4.640 0.000 0.000 0.193 471 D C 1.683 177.986 176.300 0.005 0.000 0.998 471 D CA 1.752 55.757 54.000 0.008 0.000 0.836 471 D CB -0.332 40.503 40.800 0.059 0.000 0.951 471 D HN 0.649 nan 8.370 nan 0.000 0.449 472 W N 1.609 122.804 121.300 -0.175 0.000 2.353 472 W HA -0.194 4.466 4.660 0.000 0.000 0.319 472 W C 2.254 178.624 176.519 -0.249 0.000 1.207 472 W CA 1.098 58.327 57.345 -0.193 0.000 1.291 472 W CB -0.787 28.550 29.460 -0.205 0.000 1.159 472 W HN -0.210 nan 8.180 nan 0.000 0.478 473 V N 1.433 120.958 119.914 -0.647 0.000 2.332 473 V HA -0.368 3.752 4.120 0.000 0.000 0.248 473 V C 2.446 178.256 176.094 -0.475 0.000 1.055 473 V CA 2.243 64.064 62.300 -0.798 0.000 1.038 473 V CB -0.746 30.514 31.823 -0.939 0.000 0.651 473 V HN 0.196 nan 8.190 nan 0.000 0.450 474 M N 0.296 119.712 119.600 -0.306 0.000 2.279 474 M HA -0.096 4.384 4.480 0.000 0.000 0.264 474 M C 2.287 178.477 176.300 -0.183 0.000 1.062 474 M CA 2.076 57.264 55.300 -0.188 0.000 1.099 474 M CB -1.294 31.243 32.600 -0.105 0.000 1.394 474 M HN 0.639 nan 8.290 nan 0.000 0.426 475 S N -0.945 114.630 115.700 -0.208 0.000 2.603 475 S HA 0.041 4.511 4.470 0.000 0.000 0.220 475 S C 1.228 175.696 174.600 -0.220 0.000 0.967 475 S CA 0.335 58.435 58.200 -0.168 0.000 0.920 475 S CB 0.026 63.166 63.200 -0.100 0.000 0.773 475 S HN 0.374 nan 8.310 nan 0.000 0.529 476 E N 0.451 120.451 120.200 -0.334 0.000 2.562 476 E HA 0.375 4.725 4.350 0.000 0.000 0.214 476 E C -0.205 176.270 176.600 -0.209 0.000 0.979 476 E CA -0.122 56.094 56.400 -0.306 0.000 1.002 476 E CB 0.588 29.925 29.700 -0.606 0.000 1.048 476 E HN 0.576 nan 8.360 nan 0.000 0.488 477 I N 2.551 122.993 120.570 -0.213 0.000 2.371 477 I HA 0.075 4.245 4.170 0.000 0.000 0.290 477 I C 0.257 176.283 176.117 -0.151 0.000 1.028 477 I CA -0.191 61.028 61.300 -0.135 0.000 1.345 477 I CB 0.610 38.545 38.000 -0.108 0.000 1.407 477 I HN -0.464 nan 8.210 nan 0.000 0.501 478 K N 8.172 128.478 120.400 -0.158 0.000 2.293 478 K HA 0.565 4.885 4.320 0.000 0.000 0.267 478 K C -0.852 175.480 176.600 -0.446 0.000 1.010 478 K CA -0.466 55.601 56.287 -0.368 0.000 0.875 478 K CB 1.762 34.000 32.500 -0.436 0.000 1.106 478 K HN 0.515 nan 8.250 nan 0.000 0.450 479 L N 3.680 124.606 121.223 -0.495 0.000 2.317 479 L HA 0.503 4.843 4.340 0.000 0.000 0.281 479 L C -0.555 175.977 176.870 -0.564 0.000 1.024 479 L CA -1.100 53.532 54.840 -0.346 0.000 0.810 479 L CB 0.685 42.659 42.059 -0.141 0.000 1.240 479 L HN 0.460 nan 8.230 nan 0.000 0.427 480 Y N -0.112 120.222 120.300 0.057 0.000 2.524 480 Y HA 0.223 4.773 4.550 0.000 0.000 0.344 480 Y C 0.744 176.663 175.900 0.033 0.000 1.012 480 Y CA -0.873 57.245 58.100 0.029 0.000 1.068 480 Y CB 1.474 39.947 38.460 0.022 0.000 1.249 480 Y HN 0.520 nan 8.280 nan 0.000 0.468 481 D N 0.464 120.972 120.400 0.180 0.000 2.182 481 D HA -0.163 4.478 4.640 0.000 0.000 0.201 481 D C 1.187 177.543 176.300 0.093 0.000 0.986 481 D CA 1.630 55.688 54.000 0.096 0.000 0.847 481 D CB -0.220 40.620 40.800 0.067 0.000 0.942 481 D HN 0.695 nan 8.370 nan 0.000 0.467 482 D N -0.948 119.524 120.400 0.120 0.000 2.352 482 D HA 0.080 4.720 4.640 0.000 0.000 0.232 482 D C 1.484 177.878 176.300 0.155 0.000 1.055 482 D CA 0.769 54.832 54.000 0.106 0.000 0.891 482 D CB -0.387 40.455 40.800 0.071 0.000 0.897 482 D HN 0.208 nan 8.370 nan 0.000 0.529 483 G N -0.085 108.819 108.800 0.174 0.000 2.179 483 G HA2 -0.289 3.671 3.960 0.000 0.000 0.260 483 G HA3 -0.289 3.671 3.960 0.000 0.000 0.260 483 G C 0.543 175.636 174.900 0.321 0.000 0.977 483 G CA 0.680 45.907 45.100 0.212 0.000 0.641 483 G HN 0.789 nan 8.290 nan 0.000 0.533 484 T N -1.107 113.644 114.554 0.328 0.000 2.824 484 T HA 0.772 5.123 4.350 0.000 0.000 0.277 484 T C 0.029 175.063 174.700 0.557 0.000 0.975 484 T CA 0.065 62.413 62.100 0.413 0.000 0.966 484 T CB 1.889 70.901 68.868 0.240 0.000 1.054 484 T HN 1.567 nan 8.240 nan 0.000 0.533 485 F N -1.995 118.149 119.950 0.323 0.000 2.662 485 F HA 0.842 5.369 4.527 0.000 0.000 0.312 485 F C -1.218 174.731 175.800 0.249 0.000 1.113 485 F CA -1.596 56.534 58.000 0.216 0.000 0.951 485 F CB 1.098 40.173 39.000 0.125 0.000 1.344 485 F HN 0.898 nan 8.300 nan 0.000 0.462 486 A N 2.547 125.394 122.820 0.046 0.000 2.449 486 A HA 0.854 5.174 4.320 0.000 0.000 0.302 486 A C -1.169 176.467 177.584 0.087 0.000 1.048 486 A CA -0.733 51.264 52.037 -0.068 0.000 0.708 486 A CB 1.432 20.466 19.000 0.058 0.000 1.274 486 A HN 1.268 nan 8.150 nan 0.000 0.410 487 I N -1.102 119.512 120.570 0.074 0.000 2.892 487 I HA 0.735 4.905 4.170 0.000 0.000 0.306 487 I C -2.946 173.086 176.117 -0.142 0.000 1.078 487 I CA -3.186 58.122 61.300 0.013 0.000 1.032 487 I CB 2.274 40.291 38.000 0.029 0.000 1.229 487 I HN 0.238 nan 8.210 nan 0.000 0.435 488 P HA 0.046 nan 4.420 nan 0.000 0.265 488 P C -0.145 176.857 177.300 -0.495 0.000 1.193 488 P CA 0.229 62.808 63.100 -0.868 0.000 0.765 488 P CB 1.046 31.971 31.700 -1.292 0.000 0.823 489 S N 1.319 116.859 115.700 -0.267 0.000 2.807 489 S HA 0.116 4.586 4.470 0.000 0.000 0.247 489 S C -0.001 174.687 174.600 0.147 0.000 1.078 489 S CA 0.228 58.443 58.200 0.025 0.000 0.867 489 S CB 0.068 63.299 63.200 0.051 0.000 0.797 489 S HN 0.355 nan 8.310 nan 0.000 0.515 490 D N 1.061 121.489 120.400 0.047 0.000 2.498 490 D HA 0.596 5.236 4.640 0.000 0.000 0.247 490 D C -1.434 174.921 176.300 0.091 0.000 1.070 490 D CA -0.268 53.813 54.000 0.135 0.000 0.842 490 D CB 1.807 42.670 40.800 0.106 0.000 1.361 490 D HN 0.131 nan 8.370 nan 0.000 0.484 491 L N 1.369 122.712 121.223 0.201 0.000 2.342 491 L HA 0.498 4.838 4.340 0.000 0.000 0.271 491 L C -0.070 176.851 176.870 0.086 0.000 1.008 491 L CA -0.698 54.207 54.840 0.109 0.000 0.818 491 L CB 1.661 43.863 42.059 0.238 0.000 1.296 491 L HN 0.359 nan 8.230 nan 0.000 0.427 492 E N 1.294 121.418 120.200 -0.127 0.000 2.224 492 E HA 0.401 4.752 4.350 0.000 0.000 0.265 492 E C -1.869 174.605 176.600 -0.210 0.000 0.878 492 E CA -0.516 55.871 56.400 -0.021 0.000 0.759 492 E CB 1.116 30.831 29.700 0.025 0.000 1.164 492 E HN 0.452 nan 8.360 nan 0.000 0.414 493 W N 2.394 123.780 121.300 0.143 0.000 2.606 493 W HA 0.491 5.151 4.660 0.000 0.000 0.332 493 W C -0.227 176.350 176.519 0.096 0.000 1.052 493 W CA -0.439 56.958 57.345 0.086 0.000 1.223 493 W CB 2.008 31.481 29.460 0.022 0.000 1.383 493 W HN 0.446 nan 8.180 nan 0.000 0.524 494 S N 1.441 117.329 115.700 0.314 0.000 2.564 494 S HA 0.905 5.375 4.470 0.000 0.000 0.274 494 S C -0.053 174.659 174.600 0.187 0.000 1.124 494 S CA -0.293 58.047 58.200 0.233 0.000 0.869 494 S CB 1.528 64.835 63.200 0.178 0.000 1.105 494 S HN 1.634 nan 8.310 nan 0.000 0.472 495 G N 1.115 110.000 108.800 0.141 0.000 2.593 495 G HA2 0.014 3.974 3.960 0.000 0.000 0.237 495 G HA3 0.014 3.974 3.960 0.000 0.000 0.237 495 G C -1.139 173.743 174.900 -0.031 0.000 1.312 495 G CA -0.219 44.915 45.100 0.057 0.000 0.896 495 G HN 1.001 nan 8.290 nan 0.000 0.574 496 Q N 0.107 119.793 119.800 -0.190 0.000 2.418 496 Q HA 0.498 4.838 4.340 0.000 0.000 0.282 496 Q C -2.611 173.087 176.000 -0.503 0.000 1.044 496 Q CA -1.654 53.866 55.803 -0.471 0.000 0.813 496 Q CB 3.398 32.006 28.738 -0.216 0.000 1.428 496 Q HN 0.559 nan 8.270 nan 0.000 0.402 497 P HA 0.011 nan 4.420 nan 0.000 0.272 497 P C -0.880 176.330 177.300 -0.149 0.000 1.230 497 P CA -0.154 62.635 63.100 -0.519 0.000 0.788 497 P CB 0.620 31.703 31.700 -1.027 0.000 0.949 498 D N 0.477 120.885 120.400 0.013 0.000 2.399 498 D HA 0.043 4.684 4.640 0.000 0.000 0.241 498 D C 0.368 176.911 176.300 0.406 0.000 1.133 498 D CA 0.509 54.593 54.000 0.140 0.000 0.890 498 D CB 0.039 40.891 40.800 0.086 0.000 1.201 498 D HN 0.228 nan 8.370 nan 0.000 0.432 499 T N 1.806 116.556 114.554 0.327 0.000 2.905 499 T HA -0.120 4.230 4.350 0.000 0.000 0.299 499 T C 0.336 175.238 174.700 0.337 0.000 1.024 499 T CA 0.001 62.310 62.100 0.349 0.000 1.151 499 T CB 0.251 69.213 68.868 0.157 0.000 0.987 499 T HN 0.251 nan 8.240 nan 0.000 0.535 500 W N 2.855 124.137 121.300 -0.029 0.000 2.210 500 W HA 0.129 4.789 4.660 0.000 0.000 0.330 500 W C 0.396 176.810 176.519 -0.176 0.000 1.334 500 W CA -0.207 57.078 57.345 -0.100 0.000 1.227 500 W CB 0.637 29.879 29.460 -0.363 0.000 1.178 500 W HN 0.575 nan 8.180 nan 0.000 0.560 501 T N 3.097 117.204 114.554 -0.747 0.000 3.087 501 T HA 0.206 4.556 4.350 0.000 0.000 0.283 501 T C 0.861 175.039 174.700 -0.871 0.000 0.956 501 T CA 0.565 62.277 62.100 -0.646 0.000 0.894 501 T CB 0.048 68.694 68.868 -0.370 0.000 1.160 501 T HN 0.852 nan 8.240 nan 0.000 0.532 502 G N 1.100 108.890 108.800 -1.683 0.000 2.218 502 G HA2 -0.178 3.782 3.960 0.000 0.000 0.216 502 G HA3 -0.178 3.782 3.960 0.000 0.000 0.216 502 G C 0.254 174.650 174.900 -0.840 0.000 0.994 502 G CA 0.166 44.663 45.100 -1.005 0.000 0.637 502 G HN 0.509 nan 8.290 nan 0.000 0.505 503 T N 0.399 114.345 114.554 -1.014 0.000 2.881 503 T HA 0.489 4.839 4.350 0.000 0.000 0.290 503 T C -0.999 173.607 174.700 -0.156 0.000 1.000 503 T CA -0.460 61.423 62.100 -0.362 0.000 0.978 503 T CB 1.654 70.398 68.868 -0.207 0.000 0.997 503 T HN 0.417 nan 8.240 nan 0.000 0.443 504 Y N 3.359 123.737 120.300 0.130 0.000 2.620 504 Y HA 0.156 4.706 4.550 0.000 0.000 0.330 504 Y C 1.804 177.779 175.900 0.125 0.000 1.186 504 Y CA 0.022 58.300 58.100 0.296 0.000 1.467 504 Y CB 0.713 39.336 38.460 0.272 0.000 1.262 504 Y HN 0.765 nan 8.280 nan 0.000 0.550 505 T N 0.813 115.206 114.554 -0.268 0.000 3.057 505 T HA 0.266 4.616 4.350 0.000 0.000 0.254 505 T C 1.368 175.708 174.700 -0.599 0.000 1.094 505 T CA 0.503 62.403 62.100 -0.332 0.000 1.088 505 T CB -0.226 68.546 68.868 -0.160 0.000 0.934 505 T HN 1.290 nan 8.240 nan 0.000 0.497 506 G N 1.919 109.894 108.800 -1.375 0.000 2.176 506 G HA2 -0.268 3.692 3.960 0.000 0.000 0.232 506 G HA3 -0.268 3.692 3.960 0.000 0.000 0.232 506 G C 0.193 174.821 174.900 -0.453 0.000 0.986 506 G CA -0.163 44.360 45.100 -0.962 0.000 0.643 506 G HN 0.537 nan 8.290 nan 0.000 0.522 507 N N -0.178 118.305 118.700 -0.363 0.000 2.718 507 N HA -0.163 4.578 4.740 0.000 0.000 0.268 507 N C -0.755 174.624 175.510 -0.219 0.000 0.965 507 N CA 1.304 54.236 53.050 -0.196 0.000 0.817 507 N CB -0.286 38.122 38.487 -0.131 0.000 0.914 507 N HN 0.498 nan 8.380 nan 0.000 0.558 508 P HA -0.117 nan 4.420 nan 0.000 0.228 508 P C 0.237 177.403 177.300 -0.222 0.000 1.151 508 P CA 1.181 64.187 63.100 -0.158 0.000 0.770 508 P CB 0.140 31.791 31.700 -0.082 0.000 0.786 509 N N -0.969 117.591 118.700 -0.233 0.000 2.230 509 N HA 0.112 4.852 4.740 0.000 0.000 0.202 509 N C -0.052 175.246 175.510 -0.354 0.000 1.119 509 N CA -0.312 52.610 53.050 -0.213 0.000 0.851 509 N CB 0.069 38.511 38.487 -0.074 0.000 0.990 509 N HN 0.048 nan 8.380 nan 0.000 0.497 510 L N 1.752 122.679 121.223 -0.494 0.000 2.276 510 L HA 0.329 4.670 4.340 0.000 0.000 0.286 510 L C -1.081 175.519 176.870 -0.450 0.000 1.024 510 L CA -0.589 54.033 54.840 -0.363 0.000 0.826 510 L CB 0.130 41.996 42.059 -0.321 0.000 1.211 510 L HN 0.120 nan 8.230 nan 0.000 0.422 511 H N 3.594 122.671 119.070 0.012 0.000 2.622 511 H HA 0.654 5.210 4.556 0.000 0.000 0.363 511 H C -1.037 174.215 175.328 -0.128 0.000 1.151 511 H CA -0.624 55.394 56.048 -0.050 0.000 1.184 511 H CB 2.588 32.325 29.762 -0.040 0.000 1.643 511 H HN 0.441 nan 8.280 nan 0.000 0.531 512 V N 2.626 122.417 119.914 -0.205 0.000 2.876 512 V HA 0.530 4.650 4.120 0.000 0.000 0.312 512 V C -0.869 175.061 176.094 -0.273 0.000 1.085 512 V CA -0.628 61.309 62.300 -0.605 0.000 0.945 512 V CB 2.496 33.522 31.823 -1.328 0.000 1.017 512 V HN 0.730 nan 8.190 nan 0.000 0.428 513 R N 3.510 123.861 120.500 -0.249 0.000 2.621 513 R HA 0.674 5.014 4.340 0.000 0.000 0.284 513 R C -1.614 174.639 176.300 -0.079 0.000 0.998 513 R CA -0.616 55.436 56.100 -0.081 0.000 0.895 513 R CB 2.423 32.686 30.300 -0.061 0.000 1.195 513 R HN 0.609 nan 8.270 nan 0.000 0.450 514 V N 3.022 122.911 119.914 -0.042 0.000 2.488 514 V HA 0.098 4.218 4.120 0.000 0.000 0.277 514 V C 1.320 177.331 176.094 -0.138 0.000 1.046 514 V CA 0.162 62.363 62.300 -0.165 0.000 0.986 514 V CB 1.288 32.871 31.823 -0.400 0.000 0.989 514 V HN 1.030 nan 8.190 nan 0.000 0.475 515 T N -0.339 114.141 114.554 -0.123 0.000 2.990 515 T HA 0.203 4.553 4.350 0.000 0.000 0.249 515 T C 0.596 175.283 174.700 -0.021 0.000 1.039 515 T CA 0.465 62.545 62.100 -0.034 0.000 1.036 515 T CB 0.296 69.170 68.868 0.010 0.000 0.994 515 T HN 0.772 nan 8.240 nan 0.000 0.489 516 S N -0.471 115.158 115.700 -0.117 0.000 2.596 516 S HA 0.755 5.225 4.470 0.000 0.000 0.270 516 S C -1.975 172.491 174.600 -0.224 0.000 1.155 516 S CA -0.978 57.200 58.200 -0.037 0.000 0.827 516 S CB 1.465 64.686 63.200 0.035 0.000 1.130 516 S HN 0.248 nan 8.310 nan 0.000 0.467 517 Y N -0.631 119.653 120.300 -0.027 0.000 2.605 517 Y HA 0.881 5.431 4.550 0.000 0.000 0.343 517 Y C 0.874 176.742 175.900 -0.053 0.000 1.036 517 Y CA 0.040 58.102 58.100 -0.063 0.000 1.065 517 Y CB 2.372 40.789 38.460 -0.072 0.000 1.288 517 Y HN 1.256 nan 8.280 nan 0.000 0.481 518 G N -0.691 108.162 108.800 0.087 0.000 2.588 518 G HA2 0.395 4.355 3.960 0.000 0.000 0.281 518 G HA3 0.395 4.355 3.960 0.000 0.000 0.281 518 G C -0.789 174.027 174.900 -0.141 0.000 1.223 518 G CA -0.293 44.802 45.100 -0.009 0.000 0.871 518 G HN 0.427 nan 8.290 nan 0.000 0.492 519 T N 0.540 114.989 114.554 -0.175 0.000 3.567 519 T HA 0.209 4.559 4.350 0.000 0.000 0.314 519 T C -0.454 174.086 174.700 -0.267 0.000 0.942 519 T CA -0.212 61.649 62.100 -0.399 0.000 0.997 519 T CB -0.256 68.391 68.868 -0.369 0.000 1.205 519 T HN 0.465 nan 8.240 nan 0.000 0.518 520 D N 1.955 122.305 120.400 -0.083 0.000 2.502 520 D HA 0.006 4.646 4.640 0.000 0.000 0.249 520 D C 1.322 177.536 176.300 -0.144 0.000 1.188 520 D CA 0.310 54.274 54.000 -0.059 0.000 0.890 520 D CB 0.730 41.595 40.800 0.110 0.000 1.140 520 D HN 0.395 nan 8.370 nan 0.000 0.505 521 L N 3.713 124.720 121.223 -0.360 0.000 2.109 521 L HA -0.003 4.337 4.340 0.000 0.000 0.207 521 L C 2.568 179.203 176.870 -0.391 0.000 1.086 521 L CA 1.045 55.694 54.840 -0.317 0.000 0.760 521 L CB -0.332 41.568 42.059 -0.264 0.000 0.910 521 L HN 0.498 nan 8.230 nan 0.000 0.437 522 G N -0.199 108.009 108.800 -0.987 0.000 2.402 522 G HA2 -0.166 3.794 3.960 0.000 0.000 0.216 522 G HA3 -0.166 3.794 3.960 0.000 0.000 0.216 522 G C 1.592 176.588 174.900 0.160 0.000 1.162 522 G CA 0.793 45.567 45.100 -0.544 0.000 0.777 522 G HN 0.155 nan 8.290 nan 0.000 0.539 523 V N 1.602 121.607 119.914 0.152 0.000 2.407 523 V HA -0.145 3.975 4.120 0.000 0.000 0.248 523 V C 3.301 179.537 176.094 0.236 0.000 1.055 523 V CA 2.012 64.470 62.300 0.262 0.000 1.049 523 V CB -0.818 31.127 31.823 0.204 0.000 0.662 523 V HN 0.471 nan 8.190 nan 0.000 0.455 524 A N 0.494 123.409 122.820 0.158 0.000 1.898 524 A HA -0.036 4.284 4.320 0.000 0.000 0.216 524 A C 2.425 180.067 177.584 0.098 0.000 1.181 524 A CA 1.801 53.917 52.037 0.132 0.000 0.620 524 A CB -1.167 17.883 19.000 0.083 0.000 0.819 524 A HN 0.512 nan 8.150 nan 0.000 0.442 525 G N -0.747 108.110 108.800 0.096 0.000 2.421 525 G HA2 -0.233 3.728 3.960 0.000 0.000 0.216 525 G HA3 -0.233 3.728 3.960 0.000 0.000 0.216 525 G C 1.957 176.962 174.900 0.176 0.000 1.171 525 G CA 1.544 46.707 45.100 0.105 0.000 0.775 525 G HN 0.569 nan 8.290 nan 0.000 0.543 526 S N -0.088 115.793 115.700 0.302 0.000 2.370 526 S HA -0.129 4.341 4.470 0.000 0.000 0.226 526 S C 2.342 177.142 174.600 0.333 0.000 1.033 526 S CA 1.620 60.059 58.200 0.400 0.000 1.011 526 S CB -0.295 63.294 63.200 0.648 0.000 0.852 526 S HN 0.252 nan 8.310 nan 0.000 0.457 527 L N 1.694 123.100 121.223 0.306 0.000 2.072 527 L HA 0.228 4.568 4.340 0.000 0.000 0.205 527 L C 2.493 179.502 176.870 0.231 0.000 1.079 527 L CA 1.965 56.994 54.840 0.315 0.000 0.752 527 L CB -1.251 41.000 42.059 0.319 0.000 0.906 527 L HN 0.311 nan 8.230 nan 0.000 0.436 528 A N -0.069 122.840 122.820 0.147 0.000 1.883 528 A HA -0.298 4.022 4.320 0.000 0.000 0.217 528 A C 2.252 179.902 177.584 0.109 0.000 1.186 528 A CA 1.963 54.051 52.037 0.086 0.000 0.624 528 A CB -1.079 17.932 19.000 0.019 0.000 0.822 528 A HN 0.644 nan 8.150 nan 0.000 0.444 529 N N 0.642 119.417 118.700 0.125 0.000 2.043 529 N HA -0.172 4.568 4.740 0.000 0.000 0.193 529 N C 1.868 177.483 175.510 0.176 0.000 1.037 529 N CA 2.231 55.355 53.050 0.122 0.000 0.851 529 N CB -0.577 37.979 38.487 0.115 0.000 1.027 529 N HN 0.375 nan 8.380 nan 0.000 0.422 530 A N 1.132 124.093 122.820 0.235 0.000 1.883 530 A HA -0.102 4.218 4.320 0.000 0.000 0.217 530 A C 2.629 180.394 177.584 0.301 0.000 1.186 530 A CA 1.352 53.548 52.037 0.265 0.000 0.624 530 A CB -0.873 18.330 19.000 0.339 0.000 0.822 530 A HN 0.386 nan 8.150 nan 0.000 0.444 531 L N -1.016 120.381 121.223 0.290 0.000 2.056 531 L HA -0.147 4.194 4.340 0.000 0.000 0.207 531 L C 3.097 180.130 176.870 0.272 0.000 1.078 531 L CA 0.974 55.992 54.840 0.296 0.000 0.749 531 L CB -0.521 41.657 42.059 0.199 0.000 0.901 531 L HN 0.434 nan 8.230 nan 0.000 0.433 532 A N -0.456 122.481 122.820 0.195 0.000 1.902 532 A HA -0.190 4.130 4.320 0.000 0.000 0.217 532 A C 2.370 180.092 177.584 0.229 0.000 1.181 532 A CA 2.307 54.475 52.037 0.220 0.000 0.623 532 A CB -0.890 18.223 19.000 0.188 0.000 0.818 532 A HN 0.370 nan 8.150 nan 0.000 0.443 533 T N -1.478 113.166 114.554 0.150 0.000 2.777 533 T HA -0.157 4.193 4.350 0.000 0.000 0.266 533 T C 1.791 176.549 174.700 0.097 0.000 1.040 533 T CA 1.626 63.741 62.100 0.026 0.000 1.141 533 T CB -0.448 68.445 68.868 0.042 0.000 0.868 533 T HN 0.599 nan 8.240 nan 0.000 0.444 534 Y N 2.413 122.784 120.300 0.118 0.000 2.128 534 Y HA -0.109 4.441 4.550 0.000 0.000 0.284 534 Y C 2.507 178.516 175.900 0.181 0.000 1.154 534 Y CA 1.032 59.237 58.100 0.175 0.000 1.149 534 Y CB -0.897 37.683 38.460 0.201 0.000 0.976 534 Y HN 0.169 nan 8.280 nan 0.000 0.505 535 A N 0.979 123.804 122.820 0.007 0.000 1.892 535 A HA -0.207 4.113 4.320 0.000 0.000 0.218 535 A C 2.493 180.120 177.584 0.073 0.000 1.188 535 A CA 2.473 54.504 52.037 -0.011 0.000 0.631 535 A CB -1.683 17.406 19.000 0.148 0.000 0.822 535 A HN 0.709 nan 8.150 nan 0.000 0.447 536 A N -0.291 122.573 122.820 0.074 0.000 1.908 536 A HA 0.107 4.427 4.320 0.000 0.000 0.218 536 A C 2.512 179.982 177.584 -0.189 0.000 1.181 536 A CA 2.309 54.231 52.037 -0.191 0.000 0.627 536 A CB -1.041 17.547 19.000 -0.687 0.000 0.818 536 A HN 1.163 nan 8.150 nan 0.000 0.445 537 A N -0.317 122.423 122.820 -0.134 0.000 1.933 537 A HA -0.093 4.227 4.320 0.000 0.000 0.218 537 A C 2.425 180.008 177.584 -0.000 0.000 1.175 537 A CA 2.480 54.495 52.037 -0.036 0.000 0.628 537 A CB -1.356 17.699 19.000 0.091 0.000 0.814 537 A HN 0.779 nan 8.150 nan 0.000 0.444 538 T N -2.335 112.162 114.554 -0.096 0.000 2.821 538 T HA -0.129 4.221 4.350 0.000 0.000 0.267 538 T C 1.725 176.418 174.700 -0.011 0.000 1.046 538 T CA 1.430 63.509 62.100 -0.036 0.000 1.139 538 T CB -0.299 68.463 68.868 -0.177 0.000 0.871 538 T HN 0.597 nan 8.240 nan 0.000 0.454 539 E N 1.052 121.226 120.200 -0.044 0.000 2.077 539 E HA -0.164 4.186 4.350 0.000 0.000 0.193 539 E C 2.527 179.050 176.600 -0.128 0.000 0.989 539 E CA 0.777 57.151 56.400 -0.045 0.000 0.800 539 E CB -0.085 29.610 29.700 -0.009 0.000 0.746 539 E HN 0.538 nan 8.360 nan 0.000 0.452 540 R N -0.800 119.556 120.500 -0.239 0.000 2.066 540 R HA -0.125 4.215 4.340 0.000 0.000 0.232 540 R C 1.484 177.437 176.300 -0.578 0.000 1.131 540 R CA 1.815 57.611 56.100 -0.506 0.000 0.955 540 R CB -0.131 29.702 30.300 -0.778 0.000 0.851 540 R HN 0.229 nan 8.270 nan 0.000 0.432 541 W N 0.080 121.297 121.300 -0.138 0.000 2.907 541 W HA 0.283 4.943 4.660 0.000 0.000 0.271 541 W C 0.449 176.953 176.519 -0.024 0.000 1.253 541 W CA -0.609 56.665 57.345 -0.119 0.000 1.501 541 W CB 0.601 29.904 29.460 -0.261 0.000 1.047 541 W HN 0.038 nan 8.180 nan 0.000 0.610 542 E N -0.682 119.625 120.200 0.178 0.000 2.405 542 E HA 0.349 4.699 4.350 0.000 0.000 0.249 542 E C 1.438 178.092 176.600 0.089 0.000 1.028 542 E CA -0.135 56.359 56.400 0.157 0.000 0.897 542 E CB 0.823 30.625 29.700 0.171 0.000 1.262 542 E HN -0.062 nan 8.360 nan 0.000 0.442 543 G N 0.408 109.259 108.800 0.085 0.000 2.422 543 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 543 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 543 G C 0.168 175.095 174.900 0.044 0.000 1.140 543 G CA 0.983 46.119 45.100 0.059 0.000 0.775 543 G HN 0.375 nan 8.290 nan 0.000 0.545 544 K N -1.053 119.376 120.400 0.048 0.000 2.551 544 K HA 0.478 4.798 4.320 0.000 0.000 0.269 544 K C -1.435 175.187 176.600 0.036 0.000 0.949 544 K CA -1.144 55.167 56.287 0.039 0.000 0.849 544 K CB 1.606 34.131 32.500 0.041 0.000 1.411 544 K HN -0.017 nan 8.250 nan 0.000 0.432 545 L N 2.064 123.309 121.223 0.036 0.000 2.499 545 L HA 0.112 4.452 4.340 0.000 0.000 0.273 545 L C -0.083 176.804 176.870 0.029 0.000 1.195 545 L CA 0.610 55.474 54.840 0.041 0.000 0.882 545 L CB 0.292 42.401 42.059 0.083 0.000 1.133 545 L HN 0.713 nan 8.230 nan 0.000 0.483 546 D N 3.563 123.964 120.400 0.001 0.000 2.498 546 D HA -0.002 4.638 4.640 0.000 0.000 0.229 546 D C 1.100 177.410 176.300 0.017 0.000 1.188 546 D CA 0.276 54.294 54.000 0.031 0.000 1.028 546 D CB 0.593 41.430 40.800 0.060 0.000 1.087 546 D HN 0.820 nan 8.370 nan 0.000 0.510 547 T N 2.425 116.982 114.554 0.004 0.000 2.649 547 T HA -0.258 4.092 4.350 0.000 0.000 0.268 547 T C 1.744 176.422 174.700 -0.037 0.000 1.036 547 T CA 1.572 63.652 62.100 -0.033 0.000 1.157 547 T CB 0.144 69.005 68.868 -0.013 0.000 0.861 547 T HN 0.404 nan 8.240 nan 0.000 0.445 548 K N 0.426 120.831 120.400 0.008 0.000 2.097 548 K HA 0.086 4.406 4.320 0.000 0.000 0.205 548 K C 2.536 179.147 176.600 0.019 0.000 1.050 548 K CA 1.095 57.388 56.287 0.010 0.000 0.938 548 K CB -0.227 32.291 32.500 0.029 0.000 0.718 548 K HN 0.300 nan 8.250 nan 0.000 0.442 549 A N 1.341 124.208 122.820 0.079 0.000 1.898 549 A HA -0.163 4.157 4.320 0.000 0.000 0.216 549 A C 2.081 179.680 177.584 0.024 0.000 1.181 549 A CA 1.293 53.407 52.037 0.129 0.000 0.620 549 A CB -0.427 18.792 19.000 0.366 0.000 0.819 549 A HN 0.203 nan 8.150 nan 0.000 0.442 550 R N -0.236 120.210 120.500 -0.091 0.000 2.083 550 R HA -0.183 4.157 4.340 0.000 0.000 0.237 550 R C 1.286 177.444 176.300 -0.236 0.000 1.137 550 R CA 2.026 57.938 56.100 -0.313 0.000 0.951 550 R CB -0.405 29.515 30.300 -0.634 0.000 0.851 550 R HN 0.432 nan 8.270 nan 0.000 0.434 551 D N 0.316 120.622 120.400 -0.156 0.000 2.144 551 D HA -0.164 4.476 4.640 0.000 0.000 0.200 551 D C 1.765 178.019 176.300 -0.075 0.000 0.978 551 D CA 1.097 55.032 54.000 -0.108 0.000 0.833 551 D CB -0.180 40.574 40.800 -0.077 0.000 0.961 551 D HN 0.211 nan 8.370 nan 0.000 0.470 552 M N 1.050 120.616 119.600 -0.056 0.000 2.175 552 M HA -0.019 4.461 4.480 0.000 0.000 0.264 552 M C 1.867 178.140 176.300 -0.044 0.000 1.063 552 M CA 1.154 56.429 55.300 -0.042 0.000 1.119 552 M CB -0.298 32.286 32.600 -0.025 0.000 1.377 552 M HN -0.037 nan 8.290 nan 0.000 0.415 553 A N -0.038 122.756 122.820 -0.044 0.000 1.883 553 A HA -0.008 4.313 4.320 0.000 0.000 0.217 553 A C 2.405 179.930 177.584 -0.097 0.000 1.186 553 A CA 2.235 54.243 52.037 -0.048 0.000 0.624 553 A CB -1.523 17.457 19.000 -0.034 0.000 0.822 553 A HN 0.650 nan 8.150 nan 0.000 0.444 554 A N -0.484 122.263 122.820 -0.121 0.000 1.877 554 A HA -0.173 4.147 4.320 0.000 0.000 0.216 554 A C 1.949 179.532 177.584 -0.002 0.000 1.186 554 A CA 1.706 53.689 52.037 -0.090 0.000 0.620 554 A CB -0.514 18.474 19.000 -0.020 0.000 0.822 554 A HN 0.509 nan 8.150 nan 0.000 0.443 555 E N 0.040 120.224 120.200 -0.028 0.000 2.070 555 E HA -0.210 4.140 4.350 0.000 0.000 0.197 555 E C 2.085 178.644 176.600 -0.069 0.000 1.004 555 E CA 1.379 57.762 56.400 -0.029 0.000 0.805 555 E CB -0.494 29.181 29.700 -0.043 0.000 0.744 555 E HN 0.686 nan 8.360 nan 0.000 0.451 556 L N 0.392 121.541 121.223 -0.124 0.000 2.017 556 L HA -0.169 4.171 4.340 0.000 0.000 0.208 556 L C 2.649 179.405 176.870 -0.189 0.000 1.073 556 L CA 0.748 55.428 54.840 -0.267 0.000 0.745 556 L CB -0.537 41.404 42.059 -0.197 0.000 0.894 556 L HN -0.017 nan 8.230 nan 0.000 0.432 557 V N 0.159 120.044 119.914 -0.049 0.000 2.255 557 V HA -0.294 3.827 4.120 0.000 0.000 0.247 557 V C 2.257 178.497 176.094 0.242 0.000 1.051 557 V CA 2.002 64.342 62.300 0.067 0.000 1.018 557 V CB -0.730 31.099 31.823 0.011 0.000 0.641 557 V HN 0.478 nan 8.190 nan 0.000 0.445 558 N N 0.261 119.131 118.700 0.284 0.000 2.104 558 N HA -0.167 4.573 4.740 0.000 0.000 0.190 558 N C 1.978 177.749 175.510 0.436 0.000 1.024 558 N CA 1.536 54.856 53.050 0.450 0.000 0.853 558 N CB -0.362 38.245 38.487 0.200 0.000 1.008 558 N HN 0.484 nan 8.380 nan 0.000 0.424 559 R N 0.177 120.802 120.500 0.208 0.000 2.119 559 R HA 0.187 4.527 4.340 0.000 0.000 0.222 559 R C 2.141 178.648 176.300 0.346 0.000 1.088 559 R CA 0.921 57.169 56.100 0.247 0.000 0.984 559 R CB -0.135 30.223 30.300 0.097 0.000 0.884 559 R HN 0.166 nan 8.270 nan 0.000 0.447 560 A N 0.934 123.844 122.820 0.150 0.000 1.898 560 A HA -0.173 4.147 4.320 0.000 0.000 0.216 560 A C 1.836 179.733 177.584 0.521 0.000 1.181 560 A CA 0.827 53.076 52.037 0.353 0.000 0.620 560 A CB -0.794 18.279 19.000 0.122 0.000 0.819 560 A HN 0.579 nan 8.150 nan 0.000 0.442 561 W N -0.704 120.774 121.300 0.297 0.000 2.378 561 W HA -0.222 4.438 4.660 0.000 0.000 0.313 561 W C 2.040 178.772 176.519 0.356 0.000 1.197 561 W CA 1.948 59.467 57.345 0.291 0.000 1.304 561 W CB -0.558 29.021 29.460 0.199 0.000 1.148 561 W HN 0.476 nan 8.180 nan 0.000 0.494 562 Y N 2.396 122.922 120.300 0.376 0.000 2.128 562 Y HA -0.248 4.302 4.550 0.000 0.000 0.284 562 Y C 2.274 178.202 175.900 0.046 0.000 1.154 562 Y CA 2.462 60.684 58.100 0.203 0.000 1.149 562 Y CB -0.990 37.656 38.460 0.309 0.000 0.976 562 Y HN -0.056 nan 8.280 nan 0.000 0.505 563 N N -1.310 117.409 118.700 0.030 0.000 2.424 563 N HA -0.043 4.697 4.740 0.000 0.000 0.178 563 N C 0.147 175.219 175.510 -0.730 0.000 1.060 563 N CA 0.779 53.595 53.050 -0.390 0.000 0.901 563 N CB 0.017 38.357 38.487 -0.246 0.000 0.979 563 N HN 0.332 nan 8.380 nan 0.000 0.451 564 F N -0.567 119.369 119.950 -0.022 0.000 2.735 564 F HA 0.217 4.744 4.527 0.000 0.000 0.308 564 F C 0.119 175.837 175.800 -0.137 0.000 1.112 564 F CA -0.955 57.014 58.000 -0.051 0.000 1.235 564 F CB -0.380 38.630 39.000 0.016 0.000 1.027 564 F HN -0.119 nan 8.300 nan 0.000 0.528 565 Y N 1.388 121.514 120.300 -0.290 0.000 2.712 565 Y HA 0.092 4.642 4.550 0.000 0.000 0.333 565 Y C 0.287 176.032 175.900 -0.257 0.000 1.225 565 Y CA -0.514 57.313 58.100 -0.455 0.000 1.499 565 Y CB 0.471 38.569 38.460 -0.603 0.000 1.288 565 Y HN 0.167 nan 8.280 nan 0.000 0.575 566 C N 6.574 125.395 119.300 -0.799 0.000 2.255 566 C HA 0.328 4.788 4.460 0.000 0.000 0.326 566 C C 1.353 176.030 174.990 -0.521 0.000 1.258 566 C CA -0.164 58.582 59.018 -0.454 0.000 1.676 566 C CB -0.638 26.982 27.740 -0.199 0.000 2.314 566 C HN 1.063 nan 8.230 nan 0.000 0.509 567 S N 2.973 118.585 115.700 -0.146 0.000 2.399 567 S HA -0.084 4.387 4.470 0.000 0.000 0.231 567 S C 1.979 176.563 174.600 -0.027 0.000 1.022 567 S CA 1.834 60.037 58.200 0.005 0.000 0.983 567 S CB -0.122 63.103 63.200 0.041 0.000 0.803 567 S HN 1.006 nan 8.310 nan 0.000 0.480 568 E N 0.546 120.712 120.200 -0.056 0.000 2.516 568 E HA 0.298 4.649 4.350 0.000 0.000 0.199 568 E C 1.326 177.890 176.600 -0.061 0.000 1.069 568 E CA 0.739 57.111 56.400 -0.046 0.000 0.876 568 E CB -1.295 28.377 29.700 -0.046 0.000 0.843 568 E HN 0.738 nan 8.360 nan 0.000 0.530 569 G N -0.036 108.704 108.800 -0.100 0.000 2.132 569 G HA2 -0.278 3.682 3.960 0.000 0.000 0.234 569 G HA3 -0.278 3.682 3.960 0.000 0.000 0.234 569 G C 1.039 175.902 174.900 -0.061 0.000 0.989 569 G CA 0.540 45.593 45.100 -0.078 0.000 0.676 569 G HN 0.475 nan 8.290 nan 0.000 0.522 570 K N -0.246 120.109 120.400 -0.075 0.000 2.393 570 K HA 0.417 4.737 4.320 0.000 0.000 0.193 570 K C 1.811 178.507 176.600 0.160 0.000 1.026 570 K CA 0.875 57.163 56.287 0.000 0.000 1.064 570 K CB 0.378 32.755 32.500 -0.206 0.000 0.833 570 K HN 1.194 nan 8.250 nan 0.000 0.521 571 G N 0.788 109.599 108.800 0.017 0.000 2.460 571 G HA2 -0.211 3.749 3.960 0.000 0.000 0.208 571 G HA3 -0.211 3.749 3.960 0.000 0.000 0.208 571 G C -0.786 174.054 174.900 -0.100 0.000 1.185 571 G CA -0.316 44.811 45.100 0.045 0.000 1.262 571 G HN 0.127 nan 8.290 nan 0.000 0.522 572 V N -1.523 118.406 119.914 0.026 0.000 2.864 572 V HA 0.938 5.059 4.120 0.000 0.000 0.314 572 V C -0.119 175.926 176.094 -0.082 0.000 1.073 572 V CA -0.425 61.855 62.300 -0.033 0.000 0.956 572 V CB 1.484 33.354 31.823 0.079 0.000 1.023 572 V HN 1.846 nan 8.190 nan 0.000 0.435 573 V N 1.593 121.434 119.914 -0.121 0.000 2.925 573 V HA 0.680 4.800 4.120 0.000 0.000 0.311 573 V C 0.040 176.102 176.094 -0.055 0.000 1.104 573 V CA 0.127 62.223 62.300 -0.341 0.000 0.954 573 V CB 2.516 34.064 31.823 -0.458 0.000 1.022 573 V HN 1.251 nan 8.190 nan 0.000 0.427 574 T N 3.807 118.294 114.554 -0.111 0.000 2.902 574 T HA 0.461 4.811 4.350 0.000 0.000 0.280 574 T C -0.773 173.949 174.700 0.038 0.000 0.992 574 T CA -0.256 61.842 62.100 -0.004 0.000 1.015 574 T CB 0.938 69.807 68.868 0.002 0.000 1.044 574 T HN 0.813 nan 8.240 nan 0.000 0.520 575 E N 1.807 122.065 120.200 0.097 0.000 2.283 575 E HA 0.292 4.643 4.350 0.000 0.000 0.258 575 E C -1.370 175.244 176.600 0.024 0.000 0.893 575 E CA -0.468 55.960 56.400 0.046 0.000 0.798 575 E CB 0.756 30.506 29.700 0.083 0.000 1.242 575 E HN 0.736 nan 8.360 nan 0.000 0.414 576 E N 2.564 122.747 120.200 -0.029 0.000 2.274 576 E HA 0.586 4.936 4.350 0.000 0.000 0.269 576 E C -1.106 175.457 176.600 -0.062 0.000 0.891 576 E CA -1.112 55.277 56.400 -0.019 0.000 0.784 576 E CB 1.615 31.334 29.700 0.032 0.000 1.225 576 E HN 0.351 nan 8.360 nan 0.000 0.412 577 A N 4.041 126.834 122.820 -0.045 0.000 2.492 577 A HA 0.260 4.580 4.320 0.000 0.000 0.254 577 A C -0.191 177.336 177.584 -0.095 0.000 1.091 577 A CA -0.467 51.534 52.037 -0.061 0.000 0.768 577 A CB 0.088 19.070 19.000 -0.030 0.000 1.028 577 A HN 0.486 nan 8.150 nan 0.000 0.498 578 R N 2.936 123.328 120.500 -0.179 0.000 2.396 578 R HA 0.393 4.733 4.340 0.000 0.000 0.292 578 R C 0.958 177.179 176.300 -0.132 0.000 1.240 578 R CA 0.246 56.162 56.100 -0.307 0.000 1.270 578 R CB 0.475 30.186 30.300 -0.982 0.000 1.108 578 R HN 0.806 nan 8.270 nan 0.000 0.573 579 A N 2.252 125.054 122.820 -0.030 0.000 1.898 579 A HA -0.167 4.153 4.320 0.000 0.000 0.216 579 A C 1.438 179.054 177.584 0.053 0.000 1.181 579 A CA 1.523 53.575 52.037 0.024 0.000 0.620 579 A CB -0.100 18.914 19.000 0.024 0.000 0.819 579 A HN 0.613 nan 8.150 nan 0.000 0.442 580 D N -1.456 118.987 120.400 0.071 0.000 2.384 580 D HA -0.187 4.453 4.640 0.000 0.000 0.222 580 D C 0.964 177.283 176.300 0.032 0.000 0.976 580 D CA 0.659 54.684 54.000 0.042 0.000 0.915 580 D CB -0.565 40.347 40.800 0.186 0.000 0.896 580 D HN 0.469 nan 8.370 nan 0.000 0.523 581 Y N 1.520 121.827 120.300 0.012 0.000 2.578 581 Y HA 0.013 4.563 4.550 0.000 0.000 0.297 581 Y C 2.158 178.074 175.900 0.026 0.000 1.176 581 Y CA -0.055 58.123 58.100 0.130 0.000 1.315 581 Y CB -0.331 38.277 38.460 0.246 0.000 1.031 581 Y HN 0.244 nan 8.280 nan 0.000 0.524 582 K N 0.057 120.497 120.400 0.067 0.000 2.288 582 K HA -0.097 4.223 4.320 0.000 0.000 0.201 582 K C 1.623 178.090 176.600 -0.222 0.000 1.048 582 K CA 0.917 57.218 56.287 0.023 0.000 0.956 582 K CB -0.258 32.315 32.500 0.121 0.000 0.746 582 K HN 0.141 nan 8.250 nan 0.000 0.461 583 R N -0.128 120.043 120.500 -0.549 0.000 2.293 583 R HA -0.019 4.321 4.340 0.000 0.000 0.219 583 R C 1.546 177.396 176.300 -0.750 0.000 1.091 583 R CA 0.828 56.427 56.100 -0.836 0.000 1.004 583 R CB -0.391 28.967 30.300 -1.570 0.000 0.865 583 R HN 0.179 nan 8.270 nan 0.000 0.469 584 F N -0.534 118.935 119.950 -0.800 0.000 2.202 584 F HA -0.211 4.316 4.527 0.000 0.000 0.301 584 F C 1.240 176.611 175.800 -0.715 0.000 1.082 584 F CA 1.625 59.214 58.000 -0.686 0.000 1.313 584 F CB 0.109 38.416 39.000 -1.155 0.000 1.024 584 F HN -0.034 nan 8.300 nan 0.000 0.495 585 F N -2.470 117.473 119.950 -0.011 0.000 2.699 585 F HA 0.140 4.667 4.527 0.000 0.000 0.295 585 F C 1.955 177.699 175.800 -0.093 0.000 1.052 585 F CA -0.066 57.880 58.000 -0.089 0.000 1.239 585 F CB -0.356 38.363 39.000 -0.468 0.000 1.018 585 F HN -0.295 nan 8.300 nan 0.000 0.627 586 E N 0.212 120.404 120.200 -0.013 0.000 2.299 586 E HA -0.087 4.263 4.350 0.000 0.000 0.193 586 E C 0.660 177.283 176.600 0.038 0.000 0.998 586 E CA 0.153 56.577 56.400 0.039 0.000 0.851 586 E CB 0.133 29.846 29.700 0.022 0.000 0.795 586 E HN 0.072 nan 8.360 nan 0.000 0.492 587 Q N 2.024 121.822 119.800 -0.003 0.000 2.307 587 Q HA 0.029 4.369 4.340 0.000 0.000 0.259 587 Q C -0.879 175.196 176.000 0.126 0.000 0.998 587 Q CA 0.179 56.005 55.803 0.038 0.000 0.923 587 Q CB 0.724 29.456 28.738 -0.010 0.000 1.196 587 Q HN -0.043 nan 8.270 nan 0.000 0.416 588 E N 3.090 123.365 120.200 0.124 0.000 2.259 588 E HA 0.211 4.561 4.350 0.000 0.000 0.281 588 E C -1.041 175.659 176.600 0.166 0.000 1.037 588 E CA -0.443 56.039 56.400 0.138 0.000 0.854 588 E CB 0.760 30.533 29.700 0.122 0.000 1.051 588 E HN 0.451 nan 8.360 nan 0.000 0.409 589 V N 6.469 126.479 119.914 0.160 0.000 2.368 589 V HA 0.019 4.139 4.120 0.000 0.000 0.266 589 V C -0.091 176.093 176.094 0.149 0.000 1.045 589 V CA -0.551 61.851 62.300 0.170 0.000 0.899 589 V CB -0.105 31.802 31.823 0.140 0.000 1.006 589 V HN 0.612 nan 8.190 nan 0.000 0.470 590 Y N 5.106 125.455 120.300 0.082 0.000 2.810 590 Y HA 0.358 4.908 4.550 0.000 0.000 0.332 590 Y C 0.133 176.042 175.900 0.015 0.000 1.243 590 Y CA 0.685 58.821 58.100 0.059 0.000 1.537 590 Y CB 0.475 38.981 38.460 0.078 0.000 1.265 590 Y HN 0.595 nan 8.280 nan 0.000 0.572 591 V N 7.184 126.655 119.914 -0.738 0.000 2.733 591 V HA 0.518 4.638 4.120 0.000 0.000 0.306 591 V C -2.810 172.788 176.094 -0.826 0.000 1.084 591 V CA -2.634 59.315 62.300 -0.585 0.000 0.905 591 V CB 2.027 33.689 31.823 -0.268 0.000 1.010 591 V HN 0.561 nan 8.190 nan 0.000 0.424 592 P HA 0.403 nan 4.420 nan 0.000 0.268 592 P C 0.230 177.488 177.300 -0.070 0.000 1.204 592 P CA 0.431 63.415 63.100 -0.193 0.000 0.768 592 P CB 0.992 32.732 31.700 0.066 0.000 0.842 593 A N 3.401 126.191 122.820 -0.050 0.000 2.580 593 A HA 0.342 4.662 4.320 0.000 0.000 0.244 593 A C 1.640 179.248 177.584 0.040 0.000 1.045 593 A CA 0.950 52.984 52.037 -0.005 0.000 0.761 593 A CB -1.501 17.503 19.000 0.006 0.000 0.962 593 A HN 0.919 nan 8.150 nan 0.000 0.512 594 G N 1.122 109.942 108.800 0.033 0.000 2.199 594 G HA2 -0.298 3.663 3.960 0.000 0.000 0.254 594 G HA3 -0.298 3.663 3.960 0.000 0.000 0.254 594 G C 0.153 175.066 174.900 0.022 0.000 0.982 594 G CA 0.400 45.511 45.100 0.019 0.000 0.632 594 G HN 1.240 nan 8.290 nan 0.000 0.529 595 W N 2.612 123.854 121.300 -0.096 0.000 2.238 595 W HA 0.559 5.219 4.660 0.000 0.000 0.321 595 W C 0.693 177.142 176.519 -0.116 0.000 1.293 595 W CA 0.599 57.873 57.345 -0.118 0.000 1.204 595 W CB 1.027 30.407 29.460 -0.134 0.000 1.167 595 W HN 0.649 nan 8.180 nan 0.000 0.553 596 S N 4.231 119.625 115.700 -0.511 0.000 2.536 596 S HA 0.943 5.413 4.470 0.000 0.000 0.271 596 S C -0.560 173.611 174.600 -0.715 0.000 1.134 596 S CA -0.551 57.447 58.200 -0.336 0.000 0.897 596 S CB 1.741 64.801 63.200 -0.233 0.000 1.094 596 S HN 1.013 nan 8.310 nan 0.000 0.473 597 G N 0.447 109.096 108.800 -0.253 0.000 2.495 597 G HA2 0.693 4.653 3.960 0.000 0.000 0.294 597 G HA3 0.693 4.653 3.960 0.000 0.000 0.294 597 G C -1.033 173.872 174.900 0.008 0.000 1.397 597 G CA -0.043 44.929 45.100 -0.213 0.000 0.790 597 G HN 1.440 nan 8.290 nan 0.000 0.486 598 T N -1.612 112.958 114.554 0.025 0.000 2.893 598 T HA 0.681 5.031 4.350 0.000 0.000 0.291 598 T C 0.196 175.004 174.700 0.180 0.000 1.028 598 T CA -0.837 61.315 62.100 0.088 0.000 0.995 598 T CB 1.654 70.560 68.868 0.064 0.000 1.051 598 T HN 0.468 nan 8.240 nan 0.000 0.470 599 M N 2.293 121.982 119.600 0.148 0.000 2.247 599 M HA 0.292 4.772 4.480 0.000 0.000 0.326 599 M C -1.593 174.700 176.300 -0.012 0.000 1.134 599 M CA -2.627 52.739 55.300 0.109 0.000 1.136 599 M CB 0.352 32.944 32.600 -0.013 0.000 1.454 599 M HN 0.443 nan 8.290 nan 0.000 0.467 600 P HA -0.180 nan 4.420 nan 0.000 0.218 600 P C 0.660 177.835 177.300 -0.208 0.000 1.147 600 P CA 1.439 64.267 63.100 -0.453 0.000 0.827 600 P CB -0.067 31.083 31.700 -0.916 0.000 0.778 601 N N -1.902 116.658 118.700 -0.234 0.000 2.270 601 N HA 0.083 4.824 4.740 0.000 0.000 0.198 601 N C 1.152 176.595 175.510 -0.111 0.000 1.117 601 N CA 0.656 53.590 53.050 -0.194 0.000 0.845 601 N CB -0.455 37.858 38.487 -0.290 0.000 0.980 601 N HN 0.173 nan 8.380 nan 0.000 0.486 602 G N 0.009 108.775 108.800 -0.057 0.000 2.195 602 G HA2 -0.244 3.716 3.960 0.000 0.000 0.246 602 G HA3 -0.244 3.716 3.960 0.000 0.000 0.246 602 G C -0.524 174.364 174.900 -0.020 0.000 0.984 602 G CA 0.071 45.157 45.100 -0.022 0.000 0.633 602 G HN 0.446 nan 8.290 nan 0.000 0.525 603 D N 1.203 121.579 120.400 -0.039 0.000 2.472 603 D HA 0.259 4.899 4.640 0.000 0.000 0.237 603 D C 0.727 177.041 176.300 0.023 0.000 1.141 603 D CA 0.620 54.608 54.000 -0.020 0.000 0.875 603 D CB 0.561 41.336 40.800 -0.043 0.000 1.192 603 D HN 0.331 nan 8.370 nan 0.000 0.450 604 K N 2.445 122.863 120.400 0.030 0.000 2.262 604 K HA 0.325 4.645 4.320 0.000 0.000 0.282 604 K C -0.091 176.556 176.600 0.080 0.000 1.066 604 K CA -0.466 55.849 56.287 0.047 0.000 0.901 604 K CB 0.896 33.414 32.500 0.030 0.000 1.089 604 K HN 0.293 nan 8.250 nan 0.000 0.476 605 I N 5.033 125.682 120.570 0.131 0.000 2.278 605 I HA 0.030 4.200 4.170 0.000 0.000 0.296 605 I C 0.248 176.494 176.117 0.215 0.000 1.121 605 I CA -0.069 61.344 61.300 0.189 0.000 1.267 605 I CB -0.063 38.122 38.000 0.309 0.000 1.447 605 I HN 0.555 nan 8.210 nan 0.000 0.509 606 Q N 6.214 126.087 119.800 0.121 0.000 2.482 606 Q HA 0.586 4.927 4.340 0.000 0.000 0.286 606 Q C -3.008 173.009 176.000 0.028 0.000 1.007 606 Q CA -2.282 53.578 55.803 0.095 0.000 0.801 606 Q CB 1.848 30.622 28.738 0.060 0.000 1.455 606 Q HN 0.084 nan 8.270 nan 0.000 0.398 607 P HA 0.008 nan 4.420 nan 0.000 0.264 607 P C 0.612 177.905 177.300 -0.012 0.000 1.179 607 P CA 2.204 65.267 63.100 -0.061 0.000 0.763 607 P CB 0.208 31.869 31.700 -0.065 0.000 0.806 608 G N 1.763 110.561 108.800 -0.004 0.000 2.176 608 G HA2 -0.250 3.710 3.960 0.000 0.000 0.253 608 G HA3 -0.250 3.710 3.960 0.000 0.000 0.253 608 G C 0.310 175.245 174.900 0.059 0.000 0.979 608 G CA 0.149 45.270 45.100 0.035 0.000 0.641 608 G HN 0.713 nan 8.290 nan 0.000 0.530 609 I N -1.351 119.252 120.570 0.054 0.000 2.836 609 I HA 0.611 4.781 4.170 0.000 0.000 0.285 609 I C 0.279 176.457 176.117 0.102 0.000 1.174 609 I CA -0.393 60.952 61.300 0.075 0.000 1.405 609 I CB 0.568 38.606 38.000 0.063 0.000 1.385 609 I HN -0.201 nan 8.210 nan 0.000 0.594 610 K N 3.754 124.229 120.400 0.125 0.000 2.185 610 K HA 0.291 4.611 4.320 0.000 0.000 0.240 610 K C 0.215 176.925 176.600 0.183 0.000 0.983 610 K CA -0.843 55.543 56.287 0.166 0.000 0.873 610 K CB 1.085 33.698 32.500 0.189 0.000 1.118 610 K HN 0.741 nan 8.250 nan 0.000 0.441 611 F N 1.170 121.161 119.950 0.069 0.000 2.045 611 F HA -0.332 4.196 4.527 0.000 0.000 0.297 611 F C 1.875 177.719 175.800 0.073 0.000 1.114 611 F CA 1.864 59.902 58.000 0.063 0.000 1.207 611 F CB -0.132 38.895 39.000 0.045 0.000 0.964 611 F HN 0.514 nan 8.300 nan 0.000 0.486 612 I N 0.807 121.509 120.570 0.220 0.000 2.454 612 I HA -0.254 3.916 4.170 0.000 0.000 0.254 612 I C 1.792 177.975 176.117 0.109 0.000 1.156 612 I CA 1.551 62.978 61.300 0.212 0.000 1.433 612 I CB -0.858 37.336 38.000 0.323 0.000 1.082 612 I HN 0.169 nan 8.210 nan 0.000 0.432 613 D N 0.427 120.883 120.400 0.093 0.000 2.219 613 D HA -0.067 4.573 4.640 0.000 0.000 0.205 613 D C 1.918 178.225 176.300 0.011 0.000 0.970 613 D CA 1.670 55.709 54.000 0.065 0.000 0.851 613 D CB -0.083 40.767 40.800 0.084 0.000 0.943 613 D HN 0.602 nan 8.370 nan 0.000 0.488 614 I N -2.620 117.934 120.570 -0.027 0.000 3.928 614 I HA 0.267 4.437 4.170 0.000 0.000 0.335 614 I C 0.056 176.111 176.117 -0.104 0.000 1.325 614 I CA -0.186 61.090 61.300 -0.041 0.000 1.107 614 I CB 0.320 38.323 38.000 0.005 0.000 1.014 614 I HN -0.329 nan 8.210 nan 0.000 0.400 615 R N 0.352 120.771 120.500 -0.135 0.000 2.738 615 R HA 0.291 4.631 4.340 0.000 0.000 0.280 615 R C 0.473 176.694 176.300 -0.133 0.000 1.456 615 R CA -0.173 55.806 56.100 -0.201 0.000 1.612 615 R CB 0.761 30.984 30.300 -0.129 0.000 1.286 615 R HN 0.044 nan 8.270 nan 0.000 0.660 616 T N 0.718 115.153 114.554 -0.198 0.000 2.951 616 T HA -0.060 4.290 4.350 0.000 0.000 0.268 616 T C 1.502 176.094 174.700 -0.179 0.000 1.073 616 T CA 1.154 63.172 62.100 -0.138 0.000 1.134 616 T CB 0.117 68.907 68.868 -0.130 0.000 0.884 616 T HN 0.311 nan 8.240 nan 0.000 0.479 617 K N 0.076 120.271 120.400 -0.341 0.000 2.360 617 K HA -0.096 4.224 4.320 0.000 0.000 0.201 617 K C 1.609 178.227 176.600 0.029 0.000 1.046 617 K CA 0.885 56.987 56.287 -0.308 0.000 0.940 617 K CB -0.181 31.866 32.500 -0.755 0.000 0.748 617 K HN 0.354 nan 8.250 nan 0.000 0.465 618 Y N 1.450 121.814 120.300 0.107 0.000 2.333 618 Y HA -0.129 4.421 4.550 0.000 0.000 0.290 618 Y C 1.877 177.676 175.900 -0.167 0.000 1.144 618 Y CA 0.917 59.143 58.100 0.211 0.000 1.228 618 Y CB -0.135 38.571 38.460 0.410 0.000 0.985 618 Y HN -0.004 nan 8.280 nan 0.000 0.542 619 R N -0.644 119.644 120.500 -0.354 0.000 2.241 619 R HA -0.167 4.173 4.340 0.000 0.000 0.224 619 R C 1.351 177.448 176.300 -0.340 0.000 1.101 619 R CA 0.986 56.532 56.100 -0.923 0.000 0.995 619 R CB -0.110 29.798 30.300 -0.653 0.000 0.870 619 R HN 0.260 nan 8.270 nan 0.000 0.463 620 Q N 0.263 120.008 119.800 -0.092 0.000 2.360 620 Q HA 0.066 4.406 4.340 0.000 0.000 0.202 620 Q C -0.288 175.774 176.000 0.103 0.000 0.915 620 Q CA 0.286 56.094 55.803 0.009 0.000 0.943 620 Q CB 0.309 29.049 28.738 0.003 0.000 1.064 620 Q HN 0.167 nan 8.270 nan 0.000 0.511 621 D N -0.194 120.322 120.400 0.195 0.000 2.350 621 D HA 0.030 4.670 4.640 0.000 0.000 0.249 621 D C -1.679 174.757 176.300 0.226 0.000 1.119 621 D CA -1.858 52.301 54.000 0.265 0.000 0.886 621 D CB 1.596 42.657 40.800 0.435 0.000 1.195 621 D HN -0.059 nan 8.370 nan 0.000 0.437 622 P HA -0.156 nan 4.420 nan 0.000 0.218 622 P C 0.193 177.482 177.300 -0.018 0.000 1.146 622 P CA 1.288 64.450 63.100 0.103 0.000 0.820 622 P CB 0.032 31.846 31.700 0.190 0.000 0.778 623 Y N -4.527 115.829 120.300 0.094 0.000 2.531 623 Y HA 0.162 4.712 4.550 0.000 0.000 0.249 623 Y C 1.946 177.886 175.900 0.067 0.000 1.168 623 Y CA -0.711 57.425 58.100 0.061 0.000 1.226 623 Y CB -0.574 37.905 38.460 0.032 0.000 1.177 623 Y HN -0.107 nan 8.280 nan 0.000 0.527 624 Y N 1.312 121.669 120.300 0.094 0.000 2.128 624 Y HA -0.290 4.261 4.550 0.000 0.000 0.284 624 Y C 1.867 177.824 175.900 0.095 0.000 1.154 624 Y CA 2.039 60.178 58.100 0.065 0.000 1.149 624 Y CB -0.204 38.316 38.460 0.100 0.000 0.976 624 Y HN 0.062 nan 8.280 nan 0.000 0.505 625 D N 0.342 120.753 120.400 0.018 0.000 2.104 625 D HA -0.237 4.404 4.640 0.000 0.000 0.194 625 D C 2.424 178.683 176.300 -0.067 0.000 0.994 625 D CA 1.928 55.910 54.000 -0.031 0.000 0.830 625 D CB -0.400 40.413 40.800 0.022 0.000 0.959 625 D HN 0.451 nan 8.370 nan 0.000 0.452 626 I N 0.652 121.186 120.570 -0.060 0.000 2.163 626 I HA -0.238 3.932 4.170 0.000 0.000 0.243 626 I C 2.642 178.750 176.117 -0.015 0.000 1.085 626 I CA 0.994 62.277 61.300 -0.030 0.000 1.347 626 I CB -0.330 37.681 38.000 0.019 0.000 1.044 626 I HN -0.044 nan 8.210 nan 0.000 0.408 627 V N -0.295 119.607 119.914 -0.019 0.000 2.453 627 V HA -0.300 3.820 4.120 0.000 0.000 0.247 627 V C 2.346 178.451 176.094 0.018 0.000 1.048 627 V CA 1.487 63.789 62.300 0.003 0.000 1.049 627 V CB -0.561 31.225 31.823 -0.060 0.000 0.672 627 V HN 0.439 nan 8.190 nan 0.000 0.457 628 Y N 0.997 121.129 120.300 -0.281 0.000 2.163 628 Y HA -0.128 4.423 4.550 0.000 0.000 0.288 628 Y C 2.650 178.416 175.900 -0.223 0.000 1.136 628 Y CA 2.266 60.147 58.100 -0.365 0.000 1.147 628 Y CB -0.298 37.746 38.460 -0.693 0.000 0.987 628 Y HN 0.282 nan 8.280 nan 0.000 0.509 629 Q N 0.177 119.853 119.800 -0.206 0.000 2.124 629 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 629 Q C 2.521 178.395 176.000 -0.211 0.000 0.977 629 Q CA 1.365 57.025 55.803 -0.238 0.000 0.850 629 Q CB -0.894 27.779 28.738 -0.109 0.000 0.901 629 Q HN 0.622 nan 8.270 nan 0.000 0.429 630 A N 0.272 123.023 122.820 -0.115 0.000 1.902 630 A HA -0.225 4.096 4.320 0.000 0.000 0.217 630 A C 1.990 179.542 177.584 -0.054 0.000 1.181 630 A CA 1.496 53.497 52.037 -0.059 0.000 0.623 630 A CB -0.866 18.139 19.000 0.008 0.000 0.818 630 A HN 0.427 nan 8.150 nan 0.000 0.443 631 Y N 0.704 120.879 120.300 -0.208 0.000 2.181 631 Y HA -0.183 4.367 4.550 0.000 0.000 0.288 631 Y C 1.909 177.639 175.900 -0.283 0.000 1.146 631 Y CA 1.653 59.625 58.100 -0.214 0.000 1.164 631 Y CB -0.513 37.766 38.460 -0.301 0.000 0.982 631 Y HN 0.226 nan 8.280 nan 0.000 0.515 632 L N 0.042 120.901 121.223 -0.607 0.000 1.989 632 L HA -0.259 4.081 4.340 0.000 0.000 0.211 632 L C 2.451 179.087 176.870 -0.389 0.000 1.071 632 L CA 1.910 56.385 54.840 -0.609 0.000 0.749 632 L CB -0.574 41.165 42.059 -0.533 0.000 0.890 632 L HN 0.132 nan 8.230 nan 0.000 0.431 633 R N 0.233 120.573 120.500 -0.267 0.000 2.357 633 R HA 0.012 4.352 4.340 0.000 0.000 0.202 633 R C 1.220 177.429 176.300 -0.152 0.000 1.047 633 R CA 0.599 56.593 56.100 -0.177 0.000 1.034 633 R CB -0.326 29.898 30.300 -0.126 0.000 0.875 633 R HN 0.544 nan 8.270 nan 0.000 0.473 634 G N 0.170 108.862 108.800 -0.181 0.000 2.198 634 G HA2 -0.342 3.618 3.960 0.000 0.000 0.260 634 G HA3 -0.342 3.618 3.960 0.000 0.000 0.260 634 G C -0.165 174.709 174.900 -0.042 0.000 1.025 634 G CA 0.584 45.617 45.100 -0.112 0.000 0.769 634 G HN 0.591 nan 8.290 nan 0.000 0.507 635 E N -1.071 119.110 120.200 -0.032 0.000 2.277 635 E HA 0.966 5.316 4.350 0.000 0.000 0.266 635 E C 0.157 176.768 176.600 0.020 0.000 0.901 635 E CA -0.104 56.290 56.400 -0.010 0.000 0.782 635 E CB 1.396 31.079 29.700 -0.028 0.000 1.228 635 E HN 1.975 nan 8.360 nan 0.000 0.424 636 A N 2.905 125.736 122.820 0.019 0.000 2.450 636 A HA 0.575 4.895 4.320 0.000 0.000 0.255 636 A C -1.960 175.630 177.584 0.010 0.000 1.096 636 A CA -0.901 51.151 52.037 0.025 0.000 0.778 636 A CB -0.303 18.700 19.000 0.006 0.000 1.031 636 A HN 0.536 nan 8.150 nan 0.000 0.494 637 P HA 0.248 nan 4.420 nan 0.000 0.275 637 P C -0.702 176.576 177.300 -0.036 0.000 1.227 637 P CA -0.085 63.026 63.100 0.017 0.000 0.781 637 P CB 0.992 32.742 31.700 0.084 0.000 0.906 638 V N 4.557 124.451 119.914 -0.033 0.000 2.394 638 V HA 0.302 4.422 4.120 0.000 0.000 0.282 638 V C 0.402 176.441 176.094 -0.092 0.000 1.031 638 V CA -0.324 61.938 62.300 -0.063 0.000 0.881 638 V CB 0.952 32.750 31.823 -0.042 0.000 0.982 638 V HN 0.393 nan 8.190 nan 0.000 0.451 639 L N 5.015 126.125 121.223 -0.189 0.000 2.354 639 L HA 0.630 4.971 4.340 0.000 0.000 0.264 639 L C -0.215 176.390 176.870 -0.442 0.000 1.008 639 L CA -0.479 54.133 54.840 -0.380 0.000 0.819 639 L CB 2.174 43.861 42.059 -0.620 0.000 1.339 639 L HN 0.468 nan 8.230 nan 0.000 0.420 640 N N 1.712 120.092 118.700 -0.534 0.000 2.476 640 N HA 0.382 5.122 4.740 0.000 0.000 0.257 640 N C -1.556 173.688 175.510 -0.443 0.000 0.970 640 N CA -0.302 52.521 53.050 -0.380 0.000 0.938 640 N CB 1.237 39.598 38.487 -0.210 0.000 1.144 640 N HN 0.449 nan 8.380 nan 0.000 0.500 641 Y N 0.255 120.439 120.300 -0.193 0.000 2.429 641 Y HA 0.282 4.832 4.550 0.000 0.000 0.342 641 Y C 0.065 175.787 175.900 -0.296 0.000 1.004 641 Y CA -0.976 57.013 58.100 -0.185 0.000 1.075 641 Y CB 1.549 39.910 38.460 -0.165 0.000 1.214 641 Y HN 0.429 nan 8.280 nan 0.000 0.455 642 H N 1.940 121.044 119.070 0.057 0.000 2.486 642 H HA 0.344 4.901 4.556 0.000 0.000 0.239 642 H C -0.626 174.694 175.328 -0.012 0.000 1.480 642 H CA -0.793 55.274 56.048 0.032 0.000 1.324 642 H CB 0.154 29.916 29.762 0.000 0.000 1.486 642 H HN 0.399 nan 8.280 nan 0.000 0.544 643 R N 1.018 121.418 120.500 -0.166 0.000 2.491 643 R HA 0.017 4.357 4.340 0.000 0.000 0.283 643 R C 0.658 176.846 176.300 -0.187 0.000 1.072 643 R CA -0.249 55.618 56.100 -0.388 0.000 1.048 643 R CB 0.556 30.272 30.300 -0.973 0.000 0.983 643 R HN 0.475 nan 8.270 nan 0.000 0.450 644 F N 4.275 124.090 119.950 -0.226 0.000 2.069 644 F HA -0.260 4.268 4.527 0.000 0.000 0.298 644 F C 1.886 177.574 175.800 -0.186 0.000 1.113 644 F CA 1.621 59.509 58.000 -0.187 0.000 1.214 644 F CB -0.093 38.785 39.000 -0.204 0.000 0.978 644 F HN 0.714 nan 8.300 nan 0.000 0.474 645 W N 0.245 121.420 121.300 -0.208 0.000 2.421 645 W HA -0.165 4.495 4.660 0.000 0.000 0.270 645 W C 1.723 178.079 176.519 -0.271 0.000 1.233 645 W CA 1.405 58.451 57.345 -0.498 0.000 1.226 645 W CB -1.616 27.493 29.460 -0.584 0.000 1.121 645 W HN 0.269 nan 8.180 nan 0.000 0.579 646 H N 1.040 119.603 119.070 -0.845 0.000 2.326 646 H HA -0.133 4.424 4.556 0.000 0.000 0.301 646 H C 2.290 177.420 175.328 -0.330 0.000 1.081 646 H CA 1.655 57.304 56.048 -0.665 0.000 1.334 646 H CB 0.158 29.544 29.762 -0.627 0.000 1.385 646 H HN 0.067 nan 8.280 nan 0.000 0.504 647 E N 0.680 120.757 120.200 -0.205 0.000 2.058 647 E HA -0.124 4.227 4.350 0.000 0.000 0.194 647 E C 2.531 178.998 176.600 -0.222 0.000 0.997 647 E CA 0.711 56.980 56.400 -0.218 0.000 0.801 647 E CB -0.500 28.963 29.700 -0.395 0.000 0.746 647 E HN 0.268 nan 8.360 nan 0.000 0.450 648 V N 2.164 121.881 119.914 -0.328 0.000 2.307 648 V HA -0.208 3.913 4.120 0.000 0.000 0.245 648 V C 2.106 178.206 176.094 0.010 0.000 1.045 648 V CA 1.900 64.105 62.300 -0.159 0.000 1.024 648 V CB -0.474 31.272 31.823 -0.129 0.000 0.651 648 V HN 0.109 nan 8.190 nan 0.000 0.449 649 D N -0.230 120.207 120.400 0.063 0.000 2.182 649 D HA -0.145 4.495 4.640 0.000 0.000 0.201 649 D C 1.944 178.285 176.300 0.068 0.000 0.986 649 D CA 1.127 55.228 54.000 0.168 0.000 0.847 649 D CB -0.027 41.013 40.800 0.400 0.000 0.942 649 D HN 0.329 nan 8.370 nan 0.000 0.467 650 L N 0.753 121.997 121.223 0.036 0.000 2.044 650 L HA 0.006 4.347 4.340 0.000 0.000 0.205 650 L C 2.191 179.095 176.870 0.057 0.000 1.075 650 L CA 1.863 56.733 54.840 0.050 0.000 0.747 650 L CB -0.978 41.123 42.059 0.071 0.000 0.903 650 L HN -0.050 nan 8.230 nan 0.000 0.435 651 A N -0.753 122.099 122.820 0.054 0.000 1.873 651 A HA -0.208 4.112 4.320 0.000 0.000 0.218 651 A C 2.269 180.000 177.584 0.246 0.000 1.193 651 A CA 2.489 54.613 52.037 0.145 0.000 0.629 651 A CB -1.329 17.714 19.000 0.072 0.000 0.826 651 A HN 0.314 nan 8.150 nan 0.000 0.447 652 V N -0.067 119.886 119.914 0.065 0.000 2.332 652 V HA -0.291 3.829 4.120 0.000 0.000 0.248 652 V C 3.052 179.049 176.094 -0.161 0.000 1.055 652 V CA 2.036 64.238 62.300 -0.164 0.000 1.038 652 V CB -1.390 30.061 31.823 -0.621 0.000 0.651 652 V HN 0.662 nan 8.190 nan 0.000 0.450 653 A N -0.453 122.312 122.820 -0.091 0.000 1.892 653 A HA -0.306 4.014 4.320 0.000 0.000 0.218 653 A C 2.242 179.777 177.584 -0.083 0.000 1.188 653 A CA 2.512 54.512 52.037 -0.062 0.000 0.631 653 A CB -0.545 18.445 19.000 -0.017 0.000 0.822 653 A HN 0.509 nan 8.150 nan 0.000 0.447 654 M N -0.647 118.937 119.600 -0.026 0.000 2.106 654 M HA -0.155 4.325 4.480 0.000 0.000 0.259 654 M C 2.255 178.525 176.300 -0.051 0.000 1.068 654 M CA 1.603 56.901 55.300 -0.003 0.000 1.100 654 M CB -0.600 32.084 32.600 0.140 0.000 1.351 654 M HN 0.520 nan 8.290 nan 0.000 0.404 655 G N -0.721 107.996 108.800 -0.140 0.000 2.422 655 G HA2 -0.106 3.854 3.960 0.000 0.000 0.218 655 G HA3 -0.106 3.854 3.960 0.000 0.000 0.218 655 G C 1.474 176.180 174.900 -0.323 0.000 1.140 655 G CA 0.637 45.494 45.100 -0.406 0.000 0.775 655 G HN 0.320 nan 8.290 nan 0.000 0.545 656 V N 0.696 120.497 119.914 -0.188 0.000 2.307 656 V HA -0.092 4.028 4.120 0.000 0.000 0.245 656 V C 2.812 178.919 176.094 0.022 0.000 1.045 656 V CA 1.057 63.326 62.300 -0.051 0.000 1.024 656 V CB -0.389 31.455 31.823 0.035 0.000 0.651 656 V HN 0.212 nan 8.190 nan 0.000 0.449 657 L N 0.575 121.787 121.223 -0.020 0.000 2.042 657 L HA -0.160 4.180 4.340 0.000 0.000 0.210 657 L C 2.582 179.482 176.870 0.050 0.000 1.076 657 L CA 2.431 57.285 54.840 0.022 0.000 0.749 657 L CB -1.536 40.307 42.059 -0.359 0.000 0.893 657 L HN 0.340 nan 8.230 nan 0.000 0.432 658 A N -2.266 120.531 122.820 -0.039 0.000 2.015 658 A HA -0.143 4.177 4.320 0.000 0.000 0.219 658 A C 2.311 179.765 177.584 -0.217 0.000 1.163 658 A CA 1.982 53.978 52.037 -0.069 0.000 0.646 658 A CB -0.643 18.286 19.000 -0.118 0.000 0.806 658 A HN 0.448 nan 8.150 nan 0.000 0.448 659 T N -1.868 112.476 114.554 -0.351 0.000 2.852 659 T HA 0.002 4.352 4.350 0.000 0.000 0.256 659 T C 1.478 175.766 174.700 -0.688 0.000 1.038 659 T CA 1.448 63.180 62.100 -0.613 0.000 1.141 659 T CB -0.296 68.051 68.868 -0.868 0.000 0.869 659 T HN 0.601 nan 8.240 nan 0.000 0.439 660 Y N -0.772 119.345 120.300 -0.304 0.000 2.497 660 Y HA 0.353 4.903 4.550 0.000 0.000 0.265 660 Y C 0.292 175.636 175.900 -0.927 0.000 1.111 660 Y CA -0.193 57.540 58.100 -0.612 0.000 1.288 660 Y CB 0.440 38.457 38.460 -0.739 0.000 1.082 660 Y HN 0.101 nan 8.280 nan 0.000 0.536 661 F N 0.651 120.632 119.950 0.051 0.000 2.542 661 F HA 0.364 4.891 4.527 0.000 0.000 0.323 661 F C -1.965 173.852 175.800 0.028 0.000 1.411 661 F CA -2.802 55.224 58.000 0.042 0.000 1.124 661 F CB 0.598 39.629 39.000 0.052 0.000 1.331 661 F HN -0.141 nan 8.300 nan 0.000 0.560 662 P HA -0.116 nan 4.420 nan 0.000 0.228 662 P C 0.458 177.790 177.300 0.053 0.000 1.151 662 P CA 1.324 64.434 63.100 0.017 0.000 0.770 662 P CB 0.464 32.131 31.700 -0.054 0.000 0.786 663 D N -1.385 119.069 120.400 0.089 0.000 2.360 663 D HA 0.144 4.784 4.640 0.000 0.000 0.210 663 D C 1.125 177.477 176.300 0.086 0.000 1.047 663 D CA 0.244 54.285 54.000 0.067 0.000 0.854 663 D CB -0.077 40.757 40.800 0.057 0.000 0.936 663 D HN 0.238 nan 8.370 nan 0.000 0.514 664 M N -0.050 119.647 119.600 0.161 0.000 2.228 664 M HA 0.193 4.673 4.480 0.000 0.000 0.326 664 M C 0.214 176.588 176.300 0.122 0.000 1.122 664 M CA 0.674 56.091 55.300 0.194 0.000 1.161 664 M CB 1.236 34.026 32.600 0.317 0.000 1.437 664 M HN -0.303 nan 8.290 nan 0.000 0.465 665 T N 0.624 115.175 114.554 -0.004 0.000 2.956 665 T HA 0.299 4.650 4.350 0.000 0.000 0.312 665 T C -1.647 172.816 174.700 -0.395 0.000 1.151 665 T CA -0.575 61.360 62.100 -0.276 0.000 1.024 665 T CB 0.907 69.707 68.868 -0.113 0.000 1.140 665 T HN 0.462 nan 8.240 nan 0.000 0.473 666 Y N 2.737 122.613 120.300 -0.707 0.000 2.397 666 Y HA 0.515 5.065 4.550 0.000 0.000 0.335 666 Y C 0.036 175.835 175.900 -0.169 0.000 1.213 666 Y CA 0.193 58.056 58.100 -0.395 0.000 1.391 666 Y CB 0.141 38.382 38.460 -0.365 0.000 1.293 666 Y HN 0.726 nan 8.280 nan 0.000 0.557 667 K N 4.994 124.860 120.400 -0.889 0.000 2.477 667 K HA 0.668 4.988 4.320 0.000 0.000 0.255 667 K C -1.416 174.540 176.600 -1.073 0.000 0.952 667 K CA -0.375 55.471 56.287 -0.734 0.000 0.826 667 K CB 0.993 33.279 32.500 -0.356 0.000 1.331 667 K HN 1.072 nan 8.250 nan 0.000 0.437 668 V N 3.011 122.511 119.914 -0.689 0.000 2.599 668 V HA 0.344 4.464 4.120 0.000 0.000 0.300 668 V C -2.038 173.756 176.094 -0.500 0.000 1.034 668 V CA -0.889 61.005 62.300 -0.677 0.000 1.115 668 V CB 0.354 31.772 31.823 -0.675 0.000 0.934 668 V HN 0.879 nan 8.190 nan 0.000 0.485 669 P HA 0.000 nan 4.420 nan 0.000 0.216 669 P CA 0.000 62.990 63.100 -0.183 0.000 0.800 669 P CB 0.000 31.692 31.700 -0.014 0.000 0.726