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 1obk_1_B DATA FIRST_RESID 1 DATA SEQUENCE MISLADLQRR IETGELSPNA AIAQSHAAIE AREKEVHAFV RHDKSARAQA DATA SEQUENCE SGPLRGIAVG IKDIIDTANM PTEMGSEIYR GWQPRSDAPV VMMLKRAGAT DATA SEQUENCE IIGKTTTTAF ASRDPTATLN PHNTGHSPGG SSSGSAAAVG AGMIPLALGT DATA SEQUENCE QTGGSVIQPA AYCGTAAIKP SFRMLPTVGV KCYSWALDTV GLFGARAEDL DATA SEQUENCE ARGLLAMTGR SEFSGIVPAK APRIGVVRQE FAGAVEPAAE QGLQAAIKAA DATA SEQUENCE ERAGASVQAI DLPEAVHEAW RIHPIIQDFE AHRALAWEFS EHHDEIAPML DATA SEQUENCE RASLDATVGL TPKEYDEARR IGRRGRRELG EVFEGVDVLL TYSAPGTAPA DATA SEQUENCE KALASTGDPR YNRLWTLMGN PCVNVPVLKV GGLPIGVQVI ARFGNDAHAL DATA SEQUENCE ATAWFLEDAL AKS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.291 176.300 -0.014 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 1 M CB 0.000 32.600 32.600 0.001 0.000 1.302 2 I N 1.346 121.907 120.570 -0.015 0.000 2.371 2 I HA 0.231 4.401 4.170 -0.000 0.000 0.290 2 I C 0.386 176.488 176.117 -0.025 0.000 1.028 2 I CA -0.169 61.120 61.300 -0.019 0.000 1.345 2 I CB 1.495 39.484 38.000 -0.017 0.000 1.407 2 I HN 0.561 nan 8.210 nan 0.000 0.501 3 S N 6.026 121.707 115.700 -0.031 0.000 2.452 3 S HA 0.155 4.625 4.470 -0.000 0.000 0.284 3 S C 0.737 175.311 174.600 -0.043 0.000 1.171 3 S CA -0.787 57.385 58.200 -0.047 0.000 1.064 3 S CB 0.821 63.989 63.200 -0.055 0.000 0.967 3 S HN 0.567 nan 8.310 nan 0.000 0.484 4 L N 6.813 128.006 121.223 -0.050 0.000 2.056 4 L HA 0.179 4.519 4.340 -0.000 0.000 0.207 4 L C 2.330 179.175 176.870 -0.041 0.000 1.078 4 L CA 2.523 57.337 54.840 -0.042 0.000 0.749 4 L CB -1.445 40.587 42.059 -0.046 0.000 0.901 4 L HN 0.789 nan 8.230 nan 0.000 0.433 5 A N -0.630 122.153 122.820 -0.060 0.000 1.972 5 A HA -0.262 4.057 4.320 -0.000 0.000 0.219 5 A C 2.044 179.614 177.584 -0.024 0.000 1.169 5 A CA 1.809 53.817 52.037 -0.047 0.000 0.635 5 A CB -1.003 17.947 19.000 -0.084 0.000 0.810 5 A HN 0.638 nan 8.150 nan 0.000 0.446 6 D N -0.229 120.153 120.400 -0.029 0.000 2.097 6 D HA -0.097 4.543 4.640 -0.000 0.000 0.197 6 D C 1.845 178.141 176.300 -0.006 0.000 0.984 6 D CA 1.213 55.205 54.000 -0.012 0.000 0.826 6 D CB -0.221 40.569 40.800 -0.015 0.000 0.973 6 D HN 0.387 nan 8.370 nan 0.000 0.460 7 L N 0.116 121.333 121.223 -0.011 0.000 2.042 7 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 7 L C 2.769 179.638 176.870 -0.002 0.000 1.076 7 L CA 1.379 56.215 54.840 -0.007 0.000 0.749 7 L CB -0.628 41.425 42.059 -0.010 0.000 0.893 7 L HN 0.245 nan 8.230 nan 0.000 0.432 8 Q N 0.097 119.894 119.800 -0.004 0.000 2.061 8 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 8 Q C 2.416 178.420 176.000 0.008 0.000 0.984 8 Q CA 1.707 57.511 55.803 0.001 0.000 0.846 8 Q CB 0.061 28.799 28.738 -0.000 0.000 0.902 8 Q HN 0.399 nan 8.270 nan 0.000 0.421 9 R N -0.409 120.098 120.500 0.011 0.000 2.066 9 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 9 R C 2.410 178.718 176.300 0.014 0.000 1.131 9 R CA 1.355 57.465 56.100 0.017 0.000 0.955 9 R CB -0.125 30.188 30.300 0.022 0.000 0.851 9 R HN 0.222 nan 8.270 nan 0.000 0.432 10 R N 0.276 120.782 120.500 0.010 0.000 2.115 10 R HA -0.032 4.308 4.340 -0.000 0.000 0.230 10 R C 2.224 178.530 176.300 0.009 0.000 1.111 10 R CA 1.051 57.157 56.100 0.009 0.000 0.976 10 R CB -0.161 30.143 30.300 0.007 0.000 0.870 10 R HN 0.267 nan 8.270 nan 0.000 0.445 11 I N 0.263 120.838 120.570 0.008 0.000 2.353 11 I HA -0.188 3.981 4.170 -0.000 0.000 0.248 11 I C 2.405 178.527 176.117 0.010 0.000 1.119 11 I CA 0.919 62.224 61.300 0.008 0.000 1.417 11 I CB -0.162 37.842 38.000 0.007 0.000 1.078 11 I HN 0.091 nan 8.210 nan 0.000 0.421 12 E N 1.421 121.627 120.200 0.011 0.000 2.051 12 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 12 E C 2.085 178.692 176.600 0.012 0.000 0.991 12 E CA 2.412 58.820 56.400 0.013 0.000 0.799 12 E CB -0.320 29.389 29.700 0.016 0.000 0.748 12 E HN 0.492 nan 8.360 nan 0.000 0.449 13 T N -3.540 111.022 114.554 0.013 0.000 3.072 13 T HA 0.151 4.501 4.350 -0.000 0.000 0.266 13 T C 1.598 176.304 174.700 0.010 0.000 1.127 13 T CA 0.909 63.016 62.100 0.012 0.000 1.107 13 T CB -0.125 68.751 68.868 0.013 0.000 0.910 13 T HN 0.414 nan 8.240 nan 0.000 0.513 14 G N 1.222 110.028 108.800 0.010 0.000 2.176 14 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.232 14 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.232 14 G C 0.601 175.506 174.900 0.008 0.000 0.986 14 G CA 0.557 45.662 45.100 0.009 0.000 0.643 14 G HN 0.605 nan 8.290 nan 0.000 0.522 15 E N -0.770 119.435 120.200 0.008 0.000 2.209 15 E HA 0.066 4.416 4.350 -0.000 0.000 0.196 15 E C 0.762 177.366 176.600 0.007 0.000 0.993 15 E CA 0.984 57.389 56.400 0.008 0.000 0.819 15 E CB -0.024 29.681 29.700 0.008 0.000 0.745 15 E HN 0.567 nan 8.360 nan 0.000 0.477 16 L N 0.687 121.914 121.223 0.007 0.000 2.410 16 L HA 0.280 4.620 4.340 -0.000 0.000 0.270 16 L C -0.801 176.074 176.870 0.008 0.000 0.983 16 L CA -0.650 54.194 54.840 0.007 0.000 0.822 16 L CB 1.988 44.051 42.059 0.006 0.000 1.285 16 L HN 0.042 nan 8.230 nan 0.000 0.409 17 S N 3.829 119.534 115.700 0.009 0.000 2.610 17 S HA 0.567 5.037 4.470 -0.000 0.000 0.273 17 S C -2.083 172.523 174.600 0.011 0.000 1.274 17 S CA -0.968 57.237 58.200 0.010 0.000 1.023 17 S CB 1.197 64.402 63.200 0.010 0.000 0.962 17 S HN 0.605 nan 8.310 nan 0.000 0.523 18 P HA -0.123 nan 4.420 nan 0.000 0.216 18 P C 1.222 178.533 177.300 0.018 0.000 1.153 18 P CA 1.176 64.283 63.100 0.013 0.000 0.858 18 P CB -0.038 31.669 31.700 0.012 0.000 0.789 19 N N -0.430 118.283 118.700 0.021 0.000 2.061 19 N HA -0.170 4.569 4.740 -0.000 0.000 0.193 19 N C 1.727 177.257 175.510 0.034 0.000 1.030 19 N CA 1.804 54.871 53.050 0.029 0.000 0.856 19 N CB -0.929 37.572 38.487 0.022 0.000 1.023 19 N HN 0.080 nan 8.380 nan 0.000 0.424 20 A N 1.040 123.875 122.820 0.024 0.000 1.933 20 A HA 0.047 4.367 4.320 -0.000 0.000 0.218 20 A C 2.413 180.011 177.584 0.023 0.000 1.175 20 A CA 1.793 53.844 52.037 0.023 0.000 0.628 20 A CB -0.672 18.337 19.000 0.016 0.000 0.814 20 A HN 0.340 nan 8.150 nan 0.000 0.444 21 A N 0.225 123.055 122.820 0.017 0.000 1.858 21 A HA -0.085 4.234 4.320 -0.000 0.000 0.216 21 A C 1.972 179.559 177.584 0.005 0.000 1.190 21 A CA 1.680 53.722 52.037 0.007 0.000 0.617 21 A CB -0.508 18.494 19.000 0.002 0.000 0.827 21 A HN 0.399 nan 8.150 nan 0.000 0.443 22 I N 0.051 120.630 120.570 0.016 0.000 2.361 22 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 22 I C 2.844 179.011 176.117 0.083 0.000 1.133 22 I CA 1.345 62.651 61.300 0.009 0.000 1.413 22 I CB -1.619 36.413 38.000 0.053 0.000 1.073 22 I HN 0.367 nan 8.210 nan 0.000 0.424 23 A N -0.008 122.883 122.820 0.117 0.000 1.969 23 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 23 A C 2.265 179.907 177.584 0.096 0.000 1.169 23 A CA 1.334 53.458 52.037 0.145 0.000 0.635 23 A CB -0.466 18.581 19.000 0.078 0.000 0.810 23 A HN 0.354 nan 8.150 nan 0.000 0.445 24 Q N -0.017 119.809 119.800 0.043 0.000 2.050 24 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 24 Q C 2.453 178.453 176.000 -0.000 0.000 0.980 24 Q CA 2.095 57.908 55.803 0.018 0.000 0.840 24 Q CB -0.233 28.506 28.738 0.003 0.000 0.898 24 Q HN 0.649 nan 8.270 nan 0.000 0.424 25 S N -0.416 115.259 115.700 -0.041 0.000 2.356 25 S HA -0.157 4.313 4.470 -0.000 0.000 0.223 25 S C 1.670 176.204 174.600 -0.110 0.000 1.032 25 S CA 1.070 59.209 58.200 -0.103 0.000 1.005 25 S CB -0.468 62.627 63.200 -0.175 0.000 0.867 25 S HN 0.458 nan 8.310 nan 0.000 0.449 26 H N 1.557 120.629 119.070 0.003 0.000 2.353 26 H HA -0.051 4.505 4.556 -0.000 0.000 0.298 26 H C 2.502 177.843 175.328 0.021 0.000 1.103 26 H CA 1.526 57.605 56.048 0.052 0.000 1.293 26 H CB -0.697 29.109 29.762 0.074 0.000 1.372 26 H HN 0.443 nan 8.280 nan 0.000 0.501 27 A N 1.039 123.936 122.820 0.129 0.000 1.873 27 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 27 A C 2.719 180.317 177.584 0.022 0.000 1.186 27 A CA 1.727 53.803 52.037 0.065 0.000 0.616 27 A CB -0.816 18.211 19.000 0.046 0.000 0.823 27 A HN 0.436 nan 8.150 nan 0.000 0.442 28 A N -0.214 122.605 122.820 -0.002 0.000 1.933 28 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 28 A C 2.102 179.662 177.584 -0.040 0.000 1.175 28 A CA 1.490 53.514 52.037 -0.021 0.000 0.628 28 A CB -0.559 18.425 19.000 -0.026 0.000 0.814 28 A HN 0.511 nan 8.150 nan 0.000 0.444 29 I N -1.114 119.405 120.570 -0.086 0.000 2.286 29 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 29 I C 2.515 178.574 176.117 -0.097 0.000 1.104 29 I CA 1.437 62.632 61.300 -0.174 0.000 1.397 29 I CB -0.281 37.397 38.000 -0.538 0.000 1.072 29 I HN 0.257 nan 8.210 nan 0.000 0.417 30 E N 1.342 121.530 120.200 -0.020 0.000 2.118 30 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 30 E C 2.112 178.722 176.600 0.017 0.000 0.992 30 E CA 1.623 58.045 56.400 0.036 0.000 0.804 30 E CB -0.183 29.558 29.700 0.068 0.000 0.741 30 E HN 0.440 nan 8.360 nan 0.000 0.458 31 A N -0.125 122.698 122.820 0.004 0.000 2.066 31 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 31 A C 1.759 179.338 177.584 -0.009 0.000 1.157 31 A CA 1.060 53.096 52.037 -0.001 0.000 0.670 31 A CB -0.003 18.994 19.000 -0.004 0.000 0.804 31 A HN 0.048 nan 8.150 nan 0.000 0.453 32 R N -1.566 118.926 120.500 -0.014 0.000 2.453 32 R HA 0.107 4.447 4.340 -0.000 0.000 0.233 32 R C 1.538 177.827 176.300 -0.018 0.000 0.895 32 R CA 0.692 56.778 56.100 -0.024 0.000 1.028 32 R CB -0.237 30.041 30.300 -0.036 0.000 1.255 32 R HN 0.516 nan 8.270 nan 0.000 0.571 33 E N 2.567 122.774 120.200 0.012 0.000 2.049 33 E HA -0.161 4.189 4.350 -0.000 0.000 0.198 33 E C 1.378 178.031 176.600 0.088 0.000 1.007 33 E CA 1.723 58.160 56.400 0.062 0.000 0.809 33 E CB 0.021 29.761 29.700 0.066 0.000 0.749 33 E HN 0.125 nan 8.360 nan 0.000 0.450 34 K N -0.198 120.256 120.400 0.090 0.000 2.286 34 K HA -0.221 4.099 4.320 -0.000 0.000 0.203 34 K C 1.965 178.617 176.600 0.085 0.000 1.045 34 K CA 1.687 58.061 56.287 0.146 0.000 0.935 34 K CB -0.157 32.399 32.500 0.094 0.000 0.737 34 K HN 0.507 nan 8.250 nan 0.000 0.460 35 E N -0.675 119.463 120.200 -0.102 0.000 2.340 35 E HA -0.008 4.341 4.350 -0.000 0.000 0.198 35 E C 1.643 177.901 176.600 -0.569 0.000 0.961 35 E CA 0.175 56.413 56.400 -0.270 0.000 0.905 35 E CB 0.136 29.759 29.700 -0.127 0.000 0.884 35 E HN -0.073 nan 8.360 nan 0.000 0.491 36 V N 0.811 120.488 119.914 -0.395 0.000 2.599 36 V HA -0.057 4.063 4.120 -0.000 0.000 0.245 36 V C 0.114 176.051 176.094 -0.263 0.000 1.046 36 V CA 1.345 63.462 62.300 -0.305 0.000 1.065 36 V CB -1.084 30.664 31.823 -0.125 0.000 0.703 36 V HN 0.455 nan 8.190 nan 0.000 0.464 37 H N -1.170 117.920 119.070 0.034 0.000 2.819 37 H HA -0.186 4.370 4.556 -0.000 0.000 0.315 37 H C 1.235 176.577 175.328 0.023 0.000 1.242 37 H CA 0.106 56.179 56.048 0.042 0.000 1.157 37 H CB -1.411 28.365 29.762 0.025 0.000 1.451 37 H HN 0.481 nan 8.280 nan 0.000 0.430 38 A N -0.227 122.661 122.820 0.113 0.000 2.195 38 A HA 0.263 4.583 4.320 -0.000 0.000 0.210 38 A C 0.358 177.828 177.584 -0.191 0.000 1.165 38 A CA 0.354 52.353 52.037 -0.063 0.000 0.806 38 A CB 0.388 19.295 19.000 -0.154 0.000 0.847 38 A HN 0.244 nan 8.150 nan 0.000 0.482 39 F N -1.603 118.348 119.950 0.001 0.000 2.469 39 F HA 0.404 4.931 4.527 -0.000 0.000 0.332 39 F C 1.159 176.974 175.800 0.026 0.000 1.103 39 F CA -0.429 57.573 58.000 0.003 0.000 0.979 39 F CB 2.047 41.047 39.000 -0.001 0.000 1.137 39 F HN -0.160 nan 8.300 nan 0.000 0.463 40 V N 2.292 122.314 119.914 0.180 0.000 2.535 40 V HA 0.075 4.195 4.120 -0.000 0.000 0.246 40 V C 0.555 176.743 176.094 0.157 0.000 1.045 40 V CA 1.113 63.486 62.300 0.122 0.000 1.058 40 V CB -0.361 31.506 31.823 0.073 0.000 0.689 40 V HN 0.592 nan 8.190 nan 0.000 0.461 41 R N -0.782 119.853 120.500 0.226 0.000 2.522 41 R HA 0.396 4.736 4.340 -0.000 0.000 0.283 41 R C -0.988 175.465 176.300 0.256 0.000 1.074 41 R CA -0.457 55.760 56.100 0.194 0.000 0.925 41 R CB 1.727 32.104 30.300 0.129 0.000 1.205 41 R HN 0.422 nan 8.270 nan 0.000 0.436 42 H N 2.264 121.340 119.070 0.009 0.000 2.638 42 H HA 0.124 4.679 4.556 -0.000 0.000 0.303 42 H C -0.977 174.317 175.328 -0.058 0.000 1.034 42 H CA -0.702 55.257 56.048 -0.149 0.000 1.225 42 H CB 1.186 30.778 29.762 -0.284 0.000 1.394 42 H HN 0.475 nan 8.280 nan 0.000 0.477 43 D N 5.040 125.494 120.400 0.090 0.000 2.416 43 D HA 0.000 4.640 4.640 -0.000 0.000 0.240 43 D C 0.681 176.922 176.300 -0.099 0.000 1.250 43 D CA -0.039 53.953 54.000 -0.014 0.000 0.967 43 D CB 0.639 41.475 40.800 0.061 0.000 1.059 43 D HN 0.624 nan 8.370 nan 0.000 0.512 44 K N 0.891 121.058 120.400 -0.388 0.000 2.442 44 K HA -0.088 4.232 4.320 -0.000 0.000 0.198 44 K C 1.590 177.958 176.600 -0.387 0.000 1.044 44 K CA 0.885 56.865 56.287 -0.511 0.000 0.948 44 K CB 0.161 32.366 32.500 -0.491 0.000 0.762 44 K HN 0.354 nan 8.250 nan 0.000 0.472 45 S N -0.039 115.554 115.700 -0.177 0.000 2.517 45 S HA 0.193 4.663 4.470 -0.000 0.000 0.214 45 S C 0.832 175.423 174.600 -0.014 0.000 0.991 45 S CA -0.370 57.760 58.200 -0.118 0.000 0.906 45 S CB 0.213 63.366 63.200 -0.079 0.000 0.789 45 S HN 0.175 nan 8.310 nan 0.000 0.513 46 A N 2.559 125.431 122.820 0.087 0.000 2.566 46 A HA 0.333 4.653 4.320 -0.000 0.000 0.245 46 A C 0.558 178.257 177.584 0.191 0.000 1.056 46 A CA 0.031 52.154 52.037 0.144 0.000 0.757 46 A CB -0.024 19.081 19.000 0.175 0.000 0.979 46 A HN 0.629 nan 8.150 nan 0.000 0.508 47 R N 1.469 122.028 120.500 0.100 0.000 2.923 47 R HA 0.706 5.046 4.340 -0.000 0.000 0.252 47 R C 0.065 176.401 176.300 0.060 0.000 1.130 47 R CA -0.451 55.701 56.100 0.085 0.000 1.043 47 R CB 1.694 32.020 30.300 0.043 0.000 1.205 47 R HN 0.791 nan 8.270 nan 0.000 0.495 48 A N 0.964 123.813 122.820 0.048 0.000 2.304 48 A HA 0.250 4.569 4.320 -0.000 0.000 0.271 48 A C -0.309 177.288 177.584 0.022 0.000 1.091 48 A CA -0.344 51.711 52.037 0.031 0.000 0.812 48 A CB 0.551 19.567 19.000 0.027 0.000 1.056 48 A HN 0.591 nan 8.150 nan 0.000 0.489 49 Q N -0.449 119.361 119.800 0.017 0.000 2.193 49 Q HA 0.520 4.860 4.340 -0.000 0.000 0.246 49 Q C 0.829 176.836 176.000 0.012 0.000 0.959 49 Q CA -0.140 55.672 55.803 0.014 0.000 0.904 49 Q CB 1.672 30.417 28.738 0.012 0.000 1.238 49 Q HN 0.816 nan 8.270 nan 0.000 0.469 50 A N 0.630 123.456 122.820 0.010 0.000 2.123 50 A HA 0.049 4.369 4.320 -0.000 0.000 0.214 50 A C 0.593 178.182 177.584 0.009 0.000 1.152 50 A CA 0.910 52.952 52.037 0.009 0.000 0.728 50 A CB 0.148 19.153 19.000 0.008 0.000 0.814 50 A HN 0.627 nan 8.150 nan 0.000 0.464 51 S N -3.017 112.688 115.700 0.009 0.000 2.685 51 S HA 0.736 5.206 4.470 -0.000 0.000 0.282 51 S C -0.100 174.505 174.600 0.009 0.000 1.159 51 S CA -0.130 58.075 58.200 0.009 0.000 0.833 51 S CB 1.093 64.299 63.200 0.009 0.000 1.151 51 S HN 2.029 nan 8.310 nan 0.000 0.485 52 G N 0.967 109.773 108.800 0.010 0.000 2.650 52 G HA2 0.063 4.023 3.960 -0.000 0.000 0.686 52 G HA3 0.063 4.023 3.960 -0.000 0.000 0.686 52 G C -2.203 172.703 174.900 0.009 0.000 1.205 52 G CA -0.280 44.825 45.100 0.010 0.000 0.781 52 G HN 0.641 nan 8.290 nan 0.000 0.648 53 P HA -0.029 nan 4.420 nan 0.000 0.222 53 P C 1.417 178.720 177.300 0.005 0.000 1.147 53 P CA 1.030 64.136 63.100 0.010 0.000 0.790 53 P CB 0.155 31.863 31.700 0.013 0.000 0.780 54 L N -0.286 120.939 121.223 0.003 0.000 2.818 54 L HA 0.211 4.551 4.340 -0.000 0.000 0.243 54 L C 1.133 178.004 176.870 0.002 0.000 1.185 54 L CA -0.637 54.203 54.840 -0.000 0.000 0.988 54 L CB -0.316 41.741 42.059 -0.003 0.000 1.292 54 L HN -0.055 nan 8.230 nan 0.000 0.519 55 R N 0.475 120.978 120.500 0.005 0.000 2.484 55 R HA 0.290 4.629 4.340 -0.000 0.000 0.293 55 R C 0.798 177.101 176.300 0.005 0.000 1.023 55 R CA 0.692 56.795 56.100 0.007 0.000 1.037 55 R CB -0.015 30.290 30.300 0.008 0.000 0.951 55 R HN 0.201 nan 8.270 nan 0.000 0.418 56 G N 2.869 111.673 108.800 0.006 0.000 2.141 56 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.242 56 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.242 56 G C -0.090 174.807 174.900 -0.005 0.000 0.982 56 G CA -0.108 44.994 45.100 0.003 0.000 0.662 56 G HN 0.570 nan 8.290 nan 0.000 0.527 57 I N 1.530 122.096 120.570 -0.006 0.000 2.328 57 I HA 0.623 4.793 4.170 -0.000 0.000 0.287 57 I C 0.805 176.913 176.117 -0.014 0.000 1.012 57 I CA -0.979 60.315 61.300 -0.011 0.000 1.195 57 I CB 0.786 38.780 38.000 -0.009 0.000 1.350 57 I HN 0.325 nan 8.210 nan 0.000 0.464 58 A N 7.164 129.968 122.820 -0.027 0.000 2.366 58 A HA 0.661 4.981 4.320 -0.000 0.000 0.272 58 A C -0.234 177.350 177.584 -0.000 0.000 1.135 58 A CA -0.303 51.715 52.037 -0.033 0.000 0.804 58 A CB 0.666 19.613 19.000 -0.089 0.000 1.064 58 A HN 0.467 nan 8.150 nan 0.000 0.499 59 V N 1.949 121.877 119.914 0.023 0.000 2.588 59 V HA 0.662 4.781 4.120 -0.000 0.000 0.304 59 V C 0.730 176.871 176.094 0.079 0.000 1.042 59 V CA -0.282 62.043 62.300 0.041 0.000 0.877 59 V CB 1.899 33.740 31.823 0.030 0.000 0.996 59 V HN 1.166 nan 8.190 nan 0.000 0.425 60 G N 4.312 113.153 108.800 0.069 0.000 2.367 60 G HA2 0.661 4.621 3.960 -0.000 0.000 0.314 60 G HA3 0.661 4.621 3.960 -0.000 0.000 0.314 60 G C -0.796 174.103 174.900 -0.002 0.000 1.130 60 G CA -0.408 44.724 45.100 0.054 0.000 0.864 60 G HN 0.437 nan 8.290 nan 0.000 0.486 61 I N 1.546 122.121 120.570 0.008 0.000 2.389 61 I HA 0.282 4.451 4.170 -0.000 0.000 0.288 61 I C 0.476 176.579 176.117 -0.024 0.000 0.999 61 I CA -1.191 60.114 61.300 0.008 0.000 1.129 61 I CB 1.501 39.525 38.000 0.040 0.000 1.288 61 I HN 0.527 nan 8.210 nan 0.000 0.444 62 K N 3.776 124.161 120.400 -0.025 0.000 2.524 62 K HA -0.122 4.198 4.320 -0.000 0.000 0.279 62 K C 0.405 177.001 176.600 -0.007 0.000 0.993 62 K CA 0.266 56.532 56.287 -0.035 0.000 1.030 62 K CB 0.510 33.012 32.500 0.004 0.000 0.891 62 K HN 0.447 nan 8.250 nan 0.000 0.488 63 D N 4.124 124.514 120.400 -0.017 0.000 2.494 63 D HA 0.005 4.645 4.640 -0.000 0.000 0.249 63 D C 0.678 176.983 176.300 0.008 0.000 1.223 63 D CA 0.329 54.332 54.000 0.005 0.000 0.865 63 D CB -0.253 40.548 40.800 0.002 0.000 0.974 63 D HN 0.565 nan 8.370 nan 0.000 0.491 64 I N -3.448 117.133 120.570 0.019 0.000 4.240 64 I HA 0.309 4.479 4.170 -0.000 0.000 0.331 64 I C 0.007 176.156 176.117 0.053 0.000 1.381 64 I CA -0.302 61.014 61.300 0.027 0.000 1.136 64 I CB 0.335 38.362 38.000 0.045 0.000 1.137 64 I HN -0.222 nan 8.210 nan 0.000 0.411 65 I N 2.929 123.531 120.570 0.053 0.000 2.321 65 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 65 I C -0.506 175.647 176.117 0.062 0.000 0.998 65 I CA -0.527 60.808 61.300 0.059 0.000 1.227 65 I CB 0.777 38.809 38.000 0.052 0.000 1.368 65 I HN -0.006 nan 8.210 nan 0.000 0.466 66 D N 4.925 125.367 120.400 0.070 0.000 2.488 66 D HA 0.171 4.811 4.640 -0.000 0.000 0.238 66 D C 0.195 176.520 176.300 0.040 0.000 1.138 66 D CA 0.575 54.615 54.000 0.067 0.000 0.873 66 D CB 0.890 41.737 40.800 0.078 0.000 1.183 66 D HN 0.594 nan 8.370 nan 0.000 0.458 67 T N -2.134 112.433 114.554 0.023 0.000 2.893 67 T HA 0.645 4.995 4.350 -0.000 0.000 0.293 67 T C 0.652 175.340 174.700 -0.019 0.000 1.027 67 T CA -0.848 61.258 62.100 0.010 0.000 0.988 67 T CB 1.961 70.842 68.868 0.021 0.000 1.043 67 T HN 0.161 nan 8.240 nan 0.000 0.461 68 A N 2.158 124.966 122.820 -0.020 0.000 1.975 68 A HA 0.062 4.382 4.320 -0.000 0.000 0.215 68 A C 1.992 179.547 177.584 -0.047 0.000 1.170 68 A CA 0.902 52.914 52.037 -0.042 0.000 0.656 68 A CB -0.524 18.459 19.000 -0.028 0.000 0.821 68 A HN 0.897 nan 8.150 nan 0.000 0.449 69 N N -0.966 117.718 118.700 -0.026 0.000 2.280 69 N HA 0.155 4.895 4.740 -0.000 0.000 0.192 69 N C 0.044 175.543 175.510 -0.019 0.000 1.109 69 N CA 0.172 53.208 53.050 -0.023 0.000 0.855 69 N CB 0.075 38.557 38.487 -0.008 0.000 0.974 69 N HN 0.431 nan 8.380 nan 0.000 0.482 70 M N -0.023 119.567 119.600 -0.017 0.000 2.501 70 M HA 0.449 4.929 4.480 -0.000 0.000 0.293 70 M C -2.824 173.466 176.300 -0.018 0.000 1.192 70 M CA -1.993 53.305 55.300 -0.003 0.000 0.886 70 M CB 3.023 35.641 32.600 0.030 0.000 1.710 70 M HN -0.309 nan 8.290 nan 0.000 0.457 71 P HA 0.119 nan 4.420 nan 0.000 0.270 71 P C -0.923 176.400 177.300 0.039 0.000 1.223 71 P CA -0.049 63.046 63.100 -0.008 0.000 0.785 71 P CB 0.475 32.191 31.700 0.027 0.000 0.923 72 T N 1.300 115.904 114.554 0.084 0.000 3.068 72 T HA 0.169 4.519 4.350 -0.000 0.000 0.364 72 T C 0.308 175.157 174.700 0.248 0.000 1.161 72 T CA -0.318 61.867 62.100 0.142 0.000 1.155 72 T CB 0.107 69.069 68.868 0.157 0.000 1.060 72 T HN 0.340 nan 8.240 nan 0.000 0.513 73 E N 2.976 123.273 120.200 0.162 0.000 2.476 73 E HA 0.066 4.416 4.350 -0.000 0.000 0.191 73 E C 0.716 177.332 176.600 0.027 0.000 1.064 73 E CA -0.181 56.325 56.400 0.175 0.000 0.866 73 E CB -0.024 29.751 29.700 0.126 0.000 0.952 73 E HN 0.480 nan 8.360 nan 0.000 0.492 74 M N -0.810 118.747 119.600 -0.071 0.000 2.703 74 M HA -0.246 4.234 4.480 -0.000 0.000 0.186 74 M C 1.058 177.157 176.300 -0.333 0.000 0.582 74 M CA 1.355 56.503 55.300 -0.253 0.000 0.578 74 M CB -2.925 29.363 32.600 -0.519 0.000 2.115 74 M HN 0.461 nan 8.290 nan 0.000 0.611 75 G N 0.234 108.928 108.800 -0.176 0.000 2.203 75 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.263 75 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.263 75 G C 0.103 174.872 174.900 -0.219 0.000 1.012 75 G CA 1.001 46.007 45.100 -0.156 0.000 0.749 75 G HN 1.081 nan 8.290 nan 0.000 0.512 76 S N -0.934 114.612 115.700 -0.256 0.000 2.536 76 S HA 0.561 5.031 4.470 -0.000 0.000 0.287 76 S C 1.290 175.885 174.600 -0.008 0.000 1.101 76 S CA 0.395 58.469 58.200 -0.209 0.000 0.950 76 S CB 1.218 64.089 63.200 -0.549 0.000 1.056 76 S HN 0.499 nan 8.310 nan 0.000 0.481 77 E N 3.650 123.865 120.200 0.026 0.000 2.204 77 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 77 E C 1.446 178.080 176.600 0.057 0.000 0.990 77 E CA 1.145 57.573 56.400 0.047 0.000 0.821 77 E CB -0.420 29.303 29.700 0.039 0.000 0.750 77 E HN 0.770 nan 8.360 nan 0.000 0.477 78 I N 0.084 120.706 120.570 0.087 0.000 2.335 78 I HA -0.252 3.918 4.170 -0.000 0.000 0.251 78 I C 1.104 177.153 176.117 -0.114 0.000 1.129 78 I CA 1.214 62.508 61.300 -0.010 0.000 1.402 78 I CB -0.153 37.927 38.000 0.133 0.000 1.069 78 I HN 0.093 nan 8.210 nan 0.000 0.424 79 Y N 0.278 120.612 120.300 0.057 0.000 2.708 79 Y HA 0.270 4.820 4.550 -0.000 0.000 0.287 79 Y C 0.801 176.790 175.900 0.147 0.000 1.145 79 Y CA -0.834 57.324 58.100 0.097 0.000 1.249 79 Y CB -0.174 38.333 38.460 0.077 0.000 1.152 79 Y HN -0.048 nan 8.280 nan 0.000 0.532 80 R N 0.859 121.463 120.500 0.172 0.000 2.480 80 R HA 0.272 4.612 4.340 -0.000 0.000 0.303 80 R C 1.288 177.688 176.300 0.166 0.000 0.985 80 R CA 1.158 57.342 56.100 0.140 0.000 1.051 80 R CB -0.325 30.025 30.300 0.083 0.000 0.935 80 R HN 0.577 nan 8.270 nan 0.000 0.410 81 G N 3.759 112.653 108.800 0.157 0.000 2.155 81 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.257 81 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.257 81 G C -0.026 174.982 174.900 0.180 0.000 0.983 81 G CA 0.219 45.397 45.100 0.130 0.000 0.676 81 G HN 0.719 nan 8.290 nan 0.000 0.528 82 W N 1.103 122.455 121.300 0.088 0.000 2.308 82 W HA 0.564 5.224 4.660 -0.000 0.000 0.324 82 W C 0.012 176.584 176.519 0.087 0.000 1.387 82 W CA -0.180 57.232 57.345 0.111 0.000 1.250 82 W CB 0.801 30.413 29.460 0.254 0.000 1.257 82 W HN 0.194 nan 8.180 nan 0.000 0.554 83 Q N 8.408 127.651 119.800 -0.929 0.000 2.381 83 Q HA 0.388 4.728 4.340 -0.000 0.000 0.263 83 Q C -2.462 172.926 176.000 -1.020 0.000 1.030 83 Q CA -2.196 53.158 55.803 -0.749 0.000 0.772 83 Q CB 1.396 29.888 28.738 -0.409 0.000 1.232 83 Q HN 0.149 nan 8.270 nan 0.000 0.476 84 P HA 0.114 nan 4.420 nan 0.000 0.269 84 P C -0.173 176.987 177.300 -0.235 0.000 1.209 84 P CA -0.237 62.660 63.100 -0.339 0.000 0.776 84 P CB 0.950 32.612 31.700 -0.063 0.000 0.876 85 R N 1.895 122.316 120.500 -0.132 0.000 2.093 85 R HA 0.010 4.350 4.340 -0.000 0.000 0.224 85 R C 0.376 176.647 176.300 -0.049 0.000 1.101 85 R CA 1.423 57.470 56.100 -0.088 0.000 0.979 85 R CB -0.521 29.755 30.300 -0.041 0.000 0.877 85 R HN 0.593 nan 8.270 nan 0.000 0.441 86 S N -0.685 115.002 115.700 -0.021 0.000 2.638 86 S HA 0.462 4.932 4.470 -0.000 0.000 0.302 86 S C -1.037 173.564 174.600 0.002 0.000 1.096 86 S CA -1.143 57.053 58.200 -0.006 0.000 0.953 86 S CB 1.898 65.103 63.200 0.007 0.000 1.107 86 S HN 0.069 nan 8.310 nan 0.000 0.503 87 D N 1.475 121.878 120.400 0.005 0.000 2.350 87 D HA 0.473 5.113 4.640 -0.000 0.000 0.249 87 D C 0.476 176.789 176.300 0.022 0.000 1.119 87 D CA 0.172 54.180 54.000 0.013 0.000 0.886 87 D CB 1.458 42.264 40.800 0.011 0.000 1.195 87 D HN 0.830 nan 8.370 nan 0.000 0.437 88 A N 3.978 126.815 122.820 0.030 0.000 2.483 88 A HA 0.205 4.525 4.320 -0.000 0.000 0.238 88 A C -1.344 176.256 177.584 0.027 0.000 1.070 88 A CA -0.819 51.238 52.037 0.034 0.000 0.770 88 A CB 0.142 19.167 19.000 0.043 0.000 1.008 88 A HN 0.336 nan 8.150 nan 0.000 0.497 89 P HA -0.196 nan 4.420 nan 0.000 0.216 89 P C 1.572 178.883 177.300 0.018 0.000 1.154 89 P CA 2.184 65.296 63.100 0.019 0.000 0.865 89 P CB -0.262 31.448 31.700 0.018 0.000 0.789 90 V N -3.529 116.397 119.914 0.021 0.000 2.490 90 V HA -0.180 3.940 4.120 -0.000 0.000 0.250 90 V C 2.101 178.205 176.094 0.017 0.000 1.061 90 V CA 1.767 64.077 62.300 0.017 0.000 1.064 90 V CB -1.790 30.046 31.823 0.021 0.000 0.670 90 V HN -0.045 nan 8.190 nan 0.000 0.461 91 V N -0.284 119.643 119.914 0.022 0.000 2.358 91 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 91 V C 2.760 178.864 176.094 0.017 0.000 1.047 91 V CA 2.330 64.643 62.300 0.022 0.000 1.035 91 V CB -0.622 31.217 31.823 0.026 0.000 0.658 91 V HN 0.399 nan 8.190 nan 0.000 0.452 92 M N -1.050 118.559 119.600 0.016 0.000 2.279 92 M HA -0.149 4.331 4.480 -0.000 0.000 0.264 92 M C 2.123 178.430 176.300 0.011 0.000 1.062 92 M CA 1.749 57.057 55.300 0.013 0.000 1.099 92 M CB -1.008 31.600 32.600 0.012 0.000 1.394 92 M HN 0.348 nan 8.290 nan 0.000 0.426 93 M N -0.753 118.853 119.600 0.010 0.000 2.175 93 M HA -0.196 4.283 4.480 -0.000 0.000 0.264 93 M C 2.110 178.412 176.300 0.004 0.000 1.063 93 M CA 1.371 56.675 55.300 0.007 0.000 1.119 93 M CB -0.449 32.153 32.600 0.004 0.000 1.377 93 M HN 0.205 nan 8.290 nan 0.000 0.415 94 L N -0.144 121.082 121.223 0.005 0.000 2.044 94 L HA -0.182 4.158 4.340 -0.000 0.000 0.205 94 L C 2.556 179.430 176.870 0.008 0.000 1.075 94 L CA 1.236 56.079 54.840 0.004 0.000 0.747 94 L CB -0.601 41.463 42.059 0.008 0.000 0.903 94 L HN 0.235 nan 8.230 nan 0.000 0.435 95 K N 0.149 120.555 120.400 0.011 0.000 2.032 95 K HA -0.191 4.128 4.320 -0.000 0.000 0.209 95 K C 2.193 178.799 176.600 0.010 0.000 1.048 95 K CA 1.429 57.723 56.287 0.011 0.000 0.927 95 K CB -0.245 32.263 32.500 0.012 0.000 0.712 95 K HN 0.274 nan 8.250 nan 0.000 0.441 96 R N 0.259 120.765 120.500 0.009 0.000 2.193 96 R HA -0.055 4.285 4.340 -0.000 0.000 0.229 96 R C 1.998 178.304 176.300 0.009 0.000 1.110 96 R CA 0.946 57.052 56.100 0.009 0.000 0.988 96 R CB -0.133 30.172 30.300 0.010 0.000 0.871 96 R HN 0.176 nan 8.270 nan 0.000 0.458 97 A N -0.301 122.524 122.820 0.008 0.000 2.251 97 A HA 0.232 4.552 4.320 -0.000 0.000 0.209 97 A C 1.394 178.982 177.584 0.007 0.000 1.187 97 A CA 0.811 52.852 52.037 0.007 0.000 0.823 97 A CB 0.158 19.160 19.000 0.004 0.000 0.846 97 A HN 0.425 nan 8.150 nan 0.000 0.486 98 G N -2.197 106.607 108.800 0.008 0.000 2.179 98 G HA2 0.137 4.097 3.960 -0.000 0.000 0.220 98 G HA3 0.137 4.097 3.960 -0.000 0.000 0.220 98 G C 0.481 175.386 174.900 0.008 0.000 0.990 98 G CA 0.180 45.285 45.100 0.008 0.000 0.646 98 G HN 1.463 nan 8.290 nan 0.000 0.517 99 A N -0.148 122.676 122.820 0.007 0.000 2.346 99 A HA 0.713 5.032 4.320 -0.000 0.000 0.252 99 A C 0.563 178.154 177.584 0.011 0.000 1.089 99 A CA 1.146 53.187 52.037 0.007 0.000 0.797 99 A CB 0.466 19.468 19.000 0.005 0.000 1.047 99 A HN 0.760 nan 8.150 nan 0.000 0.494 100 T N 2.257 116.817 114.554 0.011 0.000 2.770 100 T HA 0.412 4.762 4.350 -0.000 0.000 0.283 100 T C -0.161 174.552 174.700 0.022 0.000 0.988 100 T CA -0.217 61.894 62.100 0.017 0.000 0.957 100 T CB 0.514 69.388 68.868 0.012 0.000 0.930 100 T HN 0.367 nan 8.240 nan 0.000 0.443 101 I N 4.595 125.186 120.570 0.035 0.000 2.329 101 I HA 0.218 4.388 4.170 -0.000 0.000 0.295 101 I C 1.218 177.376 176.117 0.068 0.000 1.109 101 I CA -0.111 61.219 61.300 0.051 0.000 1.297 101 I CB 0.050 38.080 38.000 0.050 0.000 1.433 101 I HN 0.748 nan 8.210 nan 0.000 0.509 102 I N 4.490 125.103 120.570 0.072 0.000 3.419 102 I HA 0.189 4.359 4.170 -0.000 0.000 0.286 102 I C 0.878 177.087 176.117 0.153 0.000 1.268 102 I CA 0.362 61.705 61.300 0.072 0.000 1.414 102 I CB 0.437 38.402 38.000 -0.060 0.000 1.074 102 I HN 0.705 nan 8.210 nan 0.000 0.457 103 G N 0.343 109.283 108.800 0.233 0.000 2.325 103 G HA2 0.185 4.145 3.960 -0.000 0.000 0.297 103 G HA3 0.185 4.145 3.960 -0.000 0.000 0.297 103 G C -1.814 173.290 174.900 0.340 0.000 1.448 103 G CA -0.826 44.475 45.100 0.335 0.000 0.838 103 G HN -0.190 nan 8.290 nan 0.000 0.579 104 K N 1.541 122.119 120.400 0.296 0.000 2.240 104 K HA 0.581 4.901 4.320 -0.000 0.000 0.271 104 K C 0.470 177.097 176.600 0.045 0.000 1.018 104 K CA -0.482 55.885 56.287 0.133 0.000 0.874 104 K CB 1.331 33.891 32.500 0.100 0.000 1.098 104 K HN 0.857 nan 8.250 nan 0.000 0.458 105 T N -1.391 113.063 114.554 -0.165 0.000 2.899 105 T HA 0.238 4.588 4.350 -0.000 0.000 0.284 105 T C 0.559 175.148 174.700 -0.185 0.000 1.004 105 T CA -0.761 61.117 62.100 -0.370 0.000 1.043 105 T CB 0.578 69.130 68.868 -0.527 0.000 1.013 105 T HN 0.554 nan 8.240 nan 0.000 0.518 106 T N -0.129 114.322 114.554 -0.172 0.000 2.940 106 T HA 0.385 4.735 4.350 -0.000 0.000 0.309 106 T C 0.179 174.826 174.700 -0.088 0.000 1.056 106 T CA -0.545 61.501 62.100 -0.090 0.000 1.137 106 T CB 0.550 69.382 68.868 -0.060 0.000 0.976 106 T HN 0.934 nan 8.240 nan 0.000 0.547 107 T N 1.618 116.137 114.554 -0.058 0.000 2.912 107 T HA 0.575 4.925 4.350 -0.000 0.000 0.299 107 T C 0.244 174.920 174.700 -0.039 0.000 1.052 107 T CA -0.441 61.632 62.100 -0.045 0.000 0.996 107 T CB 1.313 70.159 68.868 -0.037 0.000 1.070 107 T HN 1.099 nan 8.240 nan 0.000 0.465 108 T N 1.909 116.452 114.554 -0.018 0.000 2.802 108 T HA 0.529 4.879 4.350 -0.000 0.000 0.305 108 T C 0.823 175.504 174.700 -0.032 0.000 1.053 108 T CA -0.352 61.743 62.100 -0.008 0.000 1.058 108 T CB 0.099 68.979 68.868 0.020 0.000 0.988 108 T HN 0.999 nan 8.240 nan 0.000 0.539 109 A N 1.446 124.245 122.820 -0.035 0.000 2.553 109 A HA 0.377 4.697 4.320 -0.000 0.000 0.258 109 A C 0.490 178.087 177.584 0.022 0.000 1.069 109 A CA -0.454 51.511 52.037 -0.121 0.000 0.767 109 A CB -1.598 17.396 19.000 -0.009 0.000 0.997 109 A HN 1.022 nan 8.150 nan 0.000 0.512 110 F N 0.443 120.435 119.950 0.070 0.000 3.048 110 F HA -0.256 4.271 4.527 0.000 0.000 0.269 110 F C 1.390 177.281 175.800 0.152 0.000 0.960 110 F CA 1.287 59.344 58.000 0.094 0.000 0.909 110 F CB -2.050 37.015 39.000 0.109 0.000 0.837 110 F HN 1.722 nan 8.300 nan 0.000 0.768 111 A N -0.845 122.071 122.820 0.162 0.000 2.745 111 A HA -0.144 4.176 4.320 -0.000 0.000 0.296 111 A C 1.022 178.629 177.584 0.039 0.000 1.500 111 A CA 1.285 53.377 52.037 0.092 0.000 0.766 111 A CB -1.547 17.508 19.000 0.091 0.000 1.030 111 A HN 0.887 nan 8.150 nan 0.000 0.489 112 S N -1.579 114.180 115.700 0.097 0.000 2.638 112 S HA 0.615 5.085 4.470 -0.000 0.000 0.256 112 S C 1.452 176.073 174.600 0.036 0.000 1.089 112 S CA 0.057 58.292 58.200 0.059 0.000 1.020 112 S CB 0.576 63.901 63.200 0.208 0.000 1.252 112 S HN 0.551 nan 8.310 nan 0.000 0.542 113 R N 0.524 121.055 120.500 0.052 0.000 2.246 113 R HA 0.193 4.532 4.340 -0.000 0.000 0.199 113 R C -0.374 175.956 176.300 0.050 0.000 0.984 113 R CA 0.293 56.419 56.100 0.044 0.000 1.015 113 R CB -0.194 30.132 30.300 0.043 0.000 0.930 113 R HN 0.544 nan 8.270 nan 0.000 0.475 114 D N 3.214 123.648 120.400 0.058 0.000 2.389 114 D HA 0.058 4.698 4.640 -0.000 0.000 0.263 114 D C -2.246 174.076 176.300 0.037 0.000 1.255 114 D CA -0.828 53.200 54.000 0.048 0.000 0.914 114 D CB 0.942 41.775 40.800 0.054 0.000 1.116 114 D HN -0.053 nan 8.370 nan 0.000 0.502 115 P HA -0.059 nan 4.420 nan 0.000 0.266 115 P C 0.308 177.621 177.300 0.022 0.000 1.193 115 P CA 0.119 63.237 63.100 0.030 0.000 0.770 115 P CB 0.562 32.279 31.700 0.028 0.000 0.836 116 T N -1.382 113.184 114.554 0.020 0.000 2.884 116 T HA 0.568 4.918 4.350 -0.000 0.000 0.277 116 T C 0.952 175.668 174.700 0.027 0.000 0.976 116 T CA -0.321 61.787 62.100 0.015 0.000 0.956 116 T CB 0.931 69.802 68.868 0.005 0.000 1.113 116 T HN 0.241 nan 8.240 nan 0.000 0.554 117 A N 0.114 122.955 122.820 0.034 0.000 2.275 117 A HA 0.352 4.672 4.320 -0.000 0.000 0.212 117 A C 1.155 178.814 177.584 0.126 0.000 1.201 117 A CA -0.309 51.764 52.037 0.061 0.000 0.843 117 A CB -0.903 18.112 19.000 0.024 0.000 0.873 117 A HN 0.817 nan 8.150 nan 0.000 0.492 118 T N 0.923 115.529 114.554 0.087 0.000 2.900 118 T HA 0.443 4.793 4.350 -0.000 0.000 0.307 118 T C -0.083 174.647 174.700 0.050 0.000 1.065 118 T CA 0.559 62.706 62.100 0.078 0.000 1.105 118 T CB 0.511 69.388 68.868 0.014 0.000 0.979 118 T HN 0.254 nan 8.240 nan 0.000 0.544 119 L N 2.290 123.517 121.223 0.006 0.000 2.341 119 L HA 0.466 4.806 4.340 -0.000 0.000 0.267 119 L C 0.531 177.394 176.870 -0.012 0.000 1.009 119 L CA -1.237 53.600 54.840 -0.005 0.000 0.819 119 L CB 1.402 43.437 42.059 -0.040 0.000 1.323 119 L HN 0.522 nan 8.230 nan 0.000 0.425 120 N N 2.148 120.864 118.700 0.026 0.000 2.447 120 N HA 0.055 4.795 4.740 -0.000 0.000 0.263 120 N C -1.955 173.551 175.510 -0.007 0.000 1.226 120 N CA -1.075 52.000 53.050 0.042 0.000 0.906 120 N CB 1.691 40.234 38.487 0.093 0.000 1.060 120 N HN 0.306 nan 8.380 nan 0.000 0.468 121 P HA -0.112 nan 4.420 nan 0.000 0.216 121 P C 0.755 177.911 177.300 -0.241 0.000 1.150 121 P CA 1.346 64.335 63.100 -0.185 0.000 0.837 121 P CB 0.097 31.631 31.700 -0.276 0.000 0.786 122 H N -2.507 116.547 119.070 -0.026 0.000 2.529 122 H HA 0.117 4.673 4.556 -0.000 0.000 0.277 122 H C 0.554 175.856 175.328 -0.044 0.000 0.999 122 H CA 0.921 56.947 56.048 -0.037 0.000 1.256 122 H CB 0.044 29.777 29.762 -0.047 0.000 1.402 122 H HN 0.166 nan 8.280 nan 0.000 0.566 123 N N 0.322 119.057 118.700 0.058 0.000 2.976 123 N HA -0.072 4.668 4.740 -0.000 0.000 0.249 123 N C 0.490 176.049 175.510 0.081 0.000 1.258 123 N CA 0.249 53.330 53.050 0.053 0.000 0.864 123 N CB 0.859 39.357 38.487 0.017 0.000 1.551 123 N HN 0.081 nan 8.380 nan 0.000 0.607 124 T N -0.846 113.731 114.554 0.039 0.000 3.118 124 T HA -0.019 4.331 4.350 -0.000 0.000 0.269 124 T C 1.490 176.216 174.700 0.044 0.000 1.166 124 T CA 1.265 63.377 62.100 0.019 0.000 1.073 124 T CB -0.178 68.678 68.868 -0.019 0.000 0.884 124 T HN 0.445 nan 8.240 nan 0.000 0.550 125 G N -0.436 108.421 108.800 0.096 0.000 3.042 125 G HA2 0.182 4.142 3.960 -0.000 0.000 0.212 125 G HA3 0.182 4.142 3.960 -0.000 0.000 0.212 125 G C 0.321 175.166 174.900 -0.092 0.000 1.166 125 G CA -0.372 44.746 45.100 0.031 0.000 0.767 125 G HN 0.581 nan 8.290 nan 0.000 0.546 126 H N -0.506 118.546 119.070 -0.029 0.000 2.771 126 H HA 0.421 4.977 4.556 -0.000 0.000 0.367 126 H C -0.527 174.777 175.328 -0.041 0.000 1.172 126 H CA -0.599 55.419 56.048 -0.050 0.000 1.186 126 H CB 2.050 31.768 29.762 -0.074 0.000 1.790 126 H HN 0.113 nan 8.280 nan 0.000 0.556 127 S N 1.484 117.208 115.700 0.040 0.000 2.592 127 S HA 0.091 4.561 4.470 -0.000 0.000 0.271 127 S C -1.677 172.964 174.600 0.069 0.000 1.326 127 S CA -1.181 57.041 58.200 0.036 0.000 1.024 127 S CB 0.687 63.903 63.200 0.027 0.000 0.921 127 S HN 0.542 nan 8.310 nan 0.000 0.527 128 P HA 0.289 nan 4.420 nan 0.000 0.267 128 P C 0.654 178.100 177.300 0.245 0.000 1.289 128 P CA 0.476 63.655 63.100 0.132 0.000 0.866 128 P CB -0.337 31.393 31.700 0.050 0.000 1.309 129 G N -0.852 108.129 108.800 0.302 0.000 2.685 129 G HA2 0.255 4.215 3.960 -0.000 0.000 0.387 129 G HA3 0.255 4.215 3.960 -0.000 0.000 0.387 129 G C -0.509 174.485 174.900 0.156 0.000 1.324 129 G CA -0.644 44.681 45.100 0.374 0.000 0.878 129 G HN 0.540 nan 8.290 nan 0.000 0.527 130 G N -2.239 106.626 108.800 0.109 0.000 2.623 130 G HA2 0.766 4.726 3.960 -0.000 0.000 0.290 130 G HA3 0.766 4.726 3.960 -0.000 0.000 0.290 130 G C 0.686 175.613 174.900 0.046 0.000 1.437 130 G CA 0.780 45.915 45.100 0.059 0.000 0.798 130 G HN 2.035 nan 8.290 nan 0.000 0.488 131 S N -1.236 114.484 115.700 0.034 0.000 2.524 131 S HA 0.101 4.570 4.470 -0.000 0.000 0.216 131 S C 1.188 175.794 174.600 0.010 0.000 0.987 131 S CA 0.600 58.813 58.200 0.021 0.000 0.909 131 S CB 0.324 63.531 63.200 0.012 0.000 0.781 131 S HN 0.388 nan 8.310 nan 0.000 0.521 132 S N 2.747 118.463 115.700 0.026 0.000 3.456 132 S HA 0.264 4.734 4.470 -0.000 0.000 0.229 132 S C 1.156 175.667 174.600 -0.149 0.000 1.416 132 S CA -0.286 57.892 58.200 -0.036 0.000 1.197 132 S CB -0.397 62.850 63.200 0.078 0.000 1.201 132 S HN 0.503 nan 8.310 nan 0.000 0.479 133 S N 2.353 117.996 115.700 -0.095 0.000 2.359 133 S HA -0.149 4.320 4.470 -0.000 0.000 0.222 133 S C 2.372 176.858 174.600 -0.191 0.000 1.038 133 S CA 1.550 59.691 58.200 -0.098 0.000 1.051 133 S CB -0.817 62.357 63.200 -0.043 0.000 0.944 133 S HN 0.738 nan 8.310 nan 0.000 0.433 134 G N 1.135 109.806 108.800 -0.216 0.000 2.440 134 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 134 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 134 G C 1.594 176.228 174.900 -0.444 0.000 1.154 134 G CA 1.287 46.200 45.100 -0.312 0.000 0.767 134 G HN 0.524 nan 8.290 nan 0.000 0.552 135 S N 0.947 116.347 115.700 -0.500 0.000 2.368 135 S HA 0.002 4.472 4.470 -0.000 0.000 0.225 135 S C 2.781 176.902 174.600 -0.799 0.000 1.030 135 S CA 1.260 59.074 58.200 -0.642 0.000 0.999 135 S CB -0.374 62.400 63.200 -0.711 0.000 0.844 135 S HN 0.609 nan 8.310 nan 0.000 0.459 136 A N 1.674 123.938 122.820 -0.926 0.000 1.855 136 A HA 0.182 4.502 4.320 -0.000 0.000 0.215 136 A C 2.391 179.829 177.584 -0.244 0.000 1.191 136 A CA 1.634 53.314 52.037 -0.595 0.000 0.613 136 A CB -1.244 17.560 19.000 -0.326 0.000 0.829 136 A HN 0.505 nan 8.150 nan 0.000 0.442 137 A N -0.116 122.578 122.820 -0.209 0.000 1.908 137 A HA 0.110 4.430 4.320 -0.000 0.000 0.218 137 A C 2.493 179.996 177.584 -0.135 0.000 1.181 137 A CA 2.288 54.249 52.037 -0.128 0.000 0.627 137 A CB -1.016 17.918 19.000 -0.111 0.000 0.818 137 A HN 1.060 nan 8.150 nan 0.000 0.445 138 A N -0.702 122.001 122.820 -0.195 0.000 1.877 138 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 138 A C 2.242 179.780 177.584 -0.078 0.000 1.186 138 A CA 1.821 53.777 52.037 -0.136 0.000 0.620 138 A CB -0.912 17.927 19.000 -0.268 0.000 0.822 138 A HN 0.400 nan 8.150 nan 0.000 0.443 139 V N -0.120 119.735 119.914 -0.098 0.000 2.358 139 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 139 V C 2.805 178.889 176.094 -0.018 0.000 1.047 139 V CA 1.819 64.100 62.300 -0.032 0.000 1.035 139 V CB -1.393 30.438 31.823 0.014 0.000 0.658 139 V HN 0.610 nan 8.190 nan 0.000 0.452 140 G N -0.311 108.475 108.800 -0.023 0.000 2.432 140 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.219 140 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.219 140 G C 1.491 176.334 174.900 -0.095 0.000 1.135 140 G CA 0.887 45.981 45.100 -0.010 0.000 0.767 140 G HN 0.625 nan 8.290 nan 0.000 0.550 141 A N -0.285 122.476 122.820 -0.099 0.000 2.251 141 A HA 0.476 4.796 4.320 -0.000 0.000 0.209 141 A C 1.948 179.491 177.584 -0.069 0.000 1.187 141 A CA 1.194 53.164 52.037 -0.111 0.000 0.823 141 A CB -0.447 18.498 19.000 -0.090 0.000 0.846 141 A HN 1.562 nan 8.150 nan 0.000 0.486 142 G N -1.007 107.765 108.800 -0.046 0.000 2.176 142 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.252 142 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.252 142 G C 0.727 175.614 174.900 -0.021 0.000 1.024 142 G CA 0.708 45.790 45.100 -0.030 0.000 0.755 142 G HN 0.390 nan 8.290 nan 0.000 0.507 143 M N -0.620 118.974 119.600 -0.010 0.000 2.248 143 M HA 0.292 4.772 4.480 -0.000 0.000 0.265 143 M C 1.523 177.822 176.300 -0.002 0.000 1.079 143 M CA 1.582 56.883 55.300 0.002 0.000 1.150 143 M CB 0.051 32.690 32.600 0.065 0.000 1.366 143 M HN 0.585 nan 8.290 nan 0.000 0.433 144 I N -3.844 116.735 120.570 0.015 0.000 2.969 144 I HA 0.380 4.550 4.170 -0.000 0.000 0.307 144 I C -2.401 173.718 176.117 0.002 0.000 1.149 144 I CA -2.159 59.147 61.300 0.010 0.000 1.008 144 I CB 1.907 39.939 38.000 0.053 0.000 1.232 144 I HN -0.211 nan 8.210 nan 0.000 0.435 145 P HA 0.132 nan 4.420 nan 0.000 0.227 145 P C -0.113 177.188 177.300 0.002 0.000 1.161 145 P CA 0.669 63.765 63.100 -0.008 0.000 0.788 145 P CB 0.837 32.527 31.700 -0.017 0.000 0.822 146 L N -1.060 120.172 121.223 0.014 0.000 2.518 146 L HA 0.758 5.098 4.340 -0.000 0.000 0.257 146 L C -1.915 174.983 176.870 0.047 0.000 0.980 146 L CA -0.900 53.958 54.840 0.031 0.000 0.837 146 L CB 2.230 44.295 42.059 0.010 0.000 1.410 146 L HN -0.083 nan 8.230 nan 0.000 0.410 147 A N 3.514 126.391 122.820 0.095 0.000 2.574 147 A HA 0.776 5.096 4.320 -0.000 0.000 0.297 147 A C -2.041 175.666 177.584 0.204 0.000 1.062 147 A CA -0.520 51.569 52.037 0.086 0.000 0.686 147 A CB 1.309 20.292 19.000 -0.029 0.000 1.285 147 A HN 0.631 nan 8.150 nan 0.000 0.403 148 L N 1.389 122.694 121.223 0.137 0.000 2.331 148 L HA 0.823 5.162 4.340 -0.000 0.000 0.275 148 L C 0.804 177.797 176.870 0.205 0.000 1.022 148 L CA -0.389 54.551 54.840 0.166 0.000 0.812 148 L CB 2.013 44.121 42.059 0.082 0.000 1.257 148 L HN 0.982 nan 8.230 nan 0.000 0.435 149 G N 0.233 109.201 108.800 0.281 0.000 2.870 149 G HA2 0.736 4.696 3.960 -0.000 0.000 0.299 149 G HA3 0.736 4.696 3.960 -0.000 0.000 0.299 149 G C -1.162 173.847 174.900 0.183 0.000 1.324 149 G CA -0.160 45.109 45.100 0.282 0.000 0.808 149 G HN 0.563 nan 8.290 nan 0.000 0.535 150 T N -2.893 111.759 114.554 0.163 0.000 2.864 150 T HA 0.717 5.067 4.350 -0.000 0.000 0.299 150 T C -1.086 173.683 174.700 0.115 0.000 1.166 150 T CA -0.655 61.519 62.100 0.124 0.000 1.007 150 T CB 2.263 71.199 68.868 0.114 0.000 1.219 150 T HN 0.736 nan 8.240 nan 0.000 0.506 151 Q N 0.084 119.950 119.800 0.111 0.000 2.263 151 Q HA 0.558 4.898 4.340 -0.000 0.000 0.266 151 Q C -0.587 175.479 176.000 0.111 0.000 1.002 151 Q CA -0.613 55.250 55.803 0.100 0.000 0.790 151 Q CB 1.994 30.792 28.738 0.100 0.000 1.272 151 Q HN 0.852 nan 8.270 nan 0.000 0.435 152 T N 1.455 116.051 114.554 0.069 0.000 3.019 152 T HA 0.250 4.600 4.350 -0.000 0.000 0.247 152 T C 0.668 175.450 174.700 0.137 0.000 0.992 152 T CA 0.737 62.877 62.100 0.067 0.000 1.036 152 T CB 0.580 69.419 68.868 -0.049 0.000 1.063 152 T HN 0.658 nan 8.240 nan 0.000 0.476 153 G N 0.527 109.369 108.800 0.071 0.000 2.531 153 G HA2 0.479 4.439 3.960 -0.000 0.000 0.210 153 G HA3 0.479 4.439 3.960 -0.000 0.000 0.210 153 G C 0.913 175.827 174.900 0.023 0.000 1.547 153 G CA 0.517 45.634 45.100 0.030 0.000 0.740 153 G HN 0.468 nan 8.290 nan 0.000 0.611 154 G N 0.047 108.859 108.800 0.020 0.000 4.765 154 G HA2 0.324 4.284 3.960 -0.000 0.000 0.276 154 G HA3 0.324 4.284 3.960 -0.000 0.000 0.276 154 G C 0.842 175.766 174.900 0.040 0.000 0.986 154 G CA 0.812 45.940 45.100 0.048 0.000 0.755 154 G HN 0.261 nan 8.290 nan 0.000 0.391 155 S N 0.065 115.792 115.700 0.046 0.000 2.584 155 S HA -0.036 4.434 4.470 -0.000 0.000 0.240 155 S C 1.994 176.683 174.600 0.147 0.000 0.975 155 S CA 0.857 59.100 58.200 0.071 0.000 0.949 155 S CB 0.230 63.463 63.200 0.055 0.000 0.761 155 S HN 0.266 nan 8.310 nan 0.000 0.536 156 V N 0.631 120.611 119.914 0.110 0.000 2.735 156 V HA 0.085 4.205 4.120 -0.000 0.000 0.234 156 V C 1.996 178.094 176.094 0.008 0.000 1.121 156 V CA 0.290 62.638 62.300 0.080 0.000 1.160 156 V CB -0.267 31.492 31.823 -0.107 0.000 0.908 156 V HN 0.321 nan 8.190 nan 0.000 0.495 157 I N 0.626 121.181 120.570 -0.025 0.000 2.142 157 I HA -0.287 3.883 4.170 -0.000 0.000 0.240 157 I C 2.522 178.622 176.117 -0.028 0.000 1.078 157 I CA 1.999 63.282 61.300 -0.030 0.000 1.343 157 I CB -1.174 36.828 38.000 0.003 0.000 1.046 157 I HN 0.479 nan 8.210 nan 0.000 0.405 158 Q N 1.294 121.055 119.800 -0.064 0.000 2.002 158 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 158 Q C -0.658 175.135 176.000 -0.346 0.000 0.988 158 Q CA 2.583 58.230 55.803 -0.260 0.000 0.843 158 Q CB -0.784 27.792 28.738 -0.271 0.000 0.908 158 Q HN 0.301 nan 8.270 nan 0.000 0.420 159 P HA -0.116 nan 4.420 nan 0.000 0.220 159 P C 0.646 178.045 177.300 0.166 0.000 1.148 159 P CA 1.755 64.884 63.100 0.049 0.000 0.803 159 P CB -0.088 31.677 31.700 0.108 0.000 0.782 160 A N 0.919 123.886 122.820 0.244 0.000 1.877 160 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 160 A C 2.526 180.196 177.584 0.142 0.000 1.186 160 A CA 2.189 54.393 52.037 0.278 0.000 0.620 160 A CB -1.550 17.549 19.000 0.164 0.000 0.822 160 A HN 0.222 nan 8.150 nan 0.000 0.443 161 A N -1.258 121.597 122.820 0.058 0.000 1.877 161 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 161 A C 2.145 179.826 177.584 0.161 0.000 1.186 161 A CA 1.477 53.548 52.037 0.056 0.000 0.620 161 A CB -0.985 18.012 19.000 -0.006 0.000 0.822 161 A HN 0.678 nan 8.150 nan 0.000 0.443 162 Y N -1.083 119.251 120.300 0.057 0.000 2.207 162 Y HA -0.290 4.260 4.550 0.000 0.000 0.287 162 Y C 2.303 178.237 175.900 0.056 0.000 1.156 162 Y CA 0.782 58.908 58.100 0.044 0.000 1.182 162 Y CB -0.209 38.289 38.460 0.064 0.000 0.979 162 Y HN 0.381 nan 8.280 nan 0.000 0.521 163 C N -0.367 119.091 119.300 0.264 0.000 2.791 163 C HA 0.322 4.782 4.460 -0.000 0.000 0.270 163 C C 1.574 176.730 174.990 0.277 0.000 1.257 163 C CA 0.424 59.605 59.018 0.270 0.000 1.699 163 C CB -0.719 27.127 27.740 0.177 0.000 1.904 163 C HN 0.764 nan 8.230 nan 0.000 0.603 164 G N 2.772 111.652 108.800 0.133 0.000 2.295 164 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.287 164 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.287 164 G C 0.081 175.051 174.900 0.116 0.000 1.055 164 G CA 0.769 45.913 45.100 0.073 0.000 0.922 164 G HN 0.703 nan 8.290 nan 0.000 0.503 165 T N -2.989 111.639 114.554 0.123 0.000 2.930 165 T HA 0.888 5.238 4.350 -0.000 0.000 0.290 165 T C 0.381 175.123 174.700 0.069 0.000 1.052 165 T CA 0.253 62.419 62.100 0.110 0.000 1.017 165 T CB 2.290 71.260 68.868 0.169 0.000 1.137 165 T HN 1.729 nan 8.240 nan 0.000 0.511 166 A N 0.874 123.709 122.820 0.026 0.000 2.322 166 A HA 0.857 5.177 4.320 -0.000 0.000 0.269 166 A C 0.376 177.922 177.584 -0.062 0.000 1.094 166 A CA -0.204 51.814 52.037 -0.030 0.000 0.807 166 A CB -0.253 18.707 19.000 -0.066 0.000 1.047 166 A HN 1.894 nan 8.150 nan 0.000 0.487 167 A N 0.582 123.318 122.820 -0.139 0.000 2.597 167 A HA 0.665 4.985 4.320 -0.000 0.000 0.292 167 A C -1.172 176.266 177.584 -0.242 0.000 1.057 167 A CA -0.179 51.679 52.037 -0.298 0.000 0.674 167 A CB 0.696 19.387 19.000 -0.515 0.000 1.278 167 A HN 1.776 nan 8.150 nan 0.000 0.416 168 I N 0.539 120.943 120.570 -0.278 0.000 2.607 168 I HA 0.535 4.705 4.170 -0.000 0.000 0.290 168 I C -0.874 175.147 176.117 -0.160 0.000 1.129 168 I CA -0.513 60.682 61.300 -0.174 0.000 1.042 168 I CB 1.789 39.714 38.000 -0.125 0.000 1.242 168 I HN 0.676 nan 8.210 nan 0.000 0.421 169 K N 9.042 129.394 120.400 -0.081 0.000 2.354 169 K HA 0.528 4.848 4.320 -0.000 0.000 0.257 169 K C -2.654 173.963 176.600 0.028 0.000 1.062 169 K CA -1.682 54.595 56.287 -0.017 0.000 0.971 169 K CB 1.060 33.584 32.500 0.039 0.000 1.305 169 K HN 0.283 nan 8.250 nan 0.000 0.449 170 P HA -0.049 nan 4.420 nan 0.000 0.272 170 P C -0.603 176.749 177.300 0.087 0.000 1.248 170 P CA -0.154 62.971 63.100 0.041 0.000 0.799 170 P CB 0.461 32.175 31.700 0.023 0.000 0.997 171 S N -0.135 115.583 115.700 0.030 0.000 2.560 171 S HA 0.051 4.521 4.470 -0.000 0.000 0.284 171 S C 0.121 174.854 174.600 0.222 0.000 1.327 171 S CA -0.180 58.024 58.200 0.006 0.000 1.055 171 S CB -0.558 62.340 63.200 -0.504 0.000 0.868 171 S HN 0.285 nan 8.310 nan 0.000 0.506 172 F N 3.770 123.931 119.950 0.352 0.000 2.623 172 F HA -0.004 4.523 4.527 -0.001 0.000 0.386 172 F C 1.488 177.459 175.800 0.285 0.000 1.068 172 F CA 0.429 58.623 58.000 0.323 0.000 1.265 172 F CB -0.207 39.001 39.000 0.346 0.000 1.026 172 F HN 0.773 nan 8.300 nan 0.000 0.568 173 R N 2.964 123.186 120.500 -0.463 0.000 3.994 173 R HA -0.302 4.038 4.340 -0.000 0.000 0.403 173 R C 1.483 177.712 176.300 -0.119 0.000 1.126 173 R CA 1.169 57.025 56.100 -0.408 0.000 1.143 173 R CB -1.922 28.072 30.300 -0.511 0.000 1.695 173 R HN 0.853 nan 8.270 nan 0.000 0.555 174 M N 0.606 120.182 119.600 -0.040 0.000 2.099 174 M HA -0.030 4.450 4.480 -0.000 0.000 0.262 174 M C 0.371 176.668 176.300 -0.005 0.000 1.067 174 M CA 1.685 56.980 55.300 -0.008 0.000 1.124 174 M CB 0.301 32.909 32.600 0.014 0.000 1.353 174 M HN 0.152 nan 8.290 nan 0.000 0.410 175 L N 2.735 123.953 121.223 -0.009 0.000 2.292 175 L HA 0.366 4.706 4.340 -0.000 0.000 0.284 175 L C -2.030 174.829 176.870 -0.018 0.000 1.065 175 L CA -2.237 52.600 54.840 -0.005 0.000 0.806 175 L CB 0.605 42.664 42.059 0.000 0.000 1.175 175 L HN 0.143 nan 8.230 nan 0.000 0.431 176 P HA 0.044 nan 4.420 nan 0.000 0.271 176 P C 0.247 177.552 177.300 0.008 0.000 1.216 176 P CA -0.250 62.843 63.100 -0.011 0.000 0.776 176 P CB 0.883 32.583 31.700 -0.000 0.000 0.881 177 T N -1.996 112.567 114.554 0.015 0.000 3.163 177 T HA 0.138 4.488 4.350 -0.000 0.000 0.252 177 T C 0.712 175.445 174.700 0.056 0.000 1.056 177 T CA -0.326 61.805 62.100 0.051 0.000 0.947 177 T CB -0.501 68.417 68.868 0.083 0.000 1.016 177 T HN 0.092 nan 8.240 nan 0.000 0.554 178 V N 2.129 122.066 119.914 0.038 0.000 2.599 178 V HA 0.431 4.550 4.120 -0.000 0.000 0.300 178 V C 1.689 177.811 176.094 0.047 0.000 1.034 178 V CA 1.092 63.414 62.300 0.038 0.000 1.115 178 V CB -0.154 31.684 31.823 0.025 0.000 0.934 178 V HN 0.834 nan 8.190 nan 0.000 0.485 179 G N 3.664 112.497 108.800 0.056 0.000 2.148 179 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.254 179 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.254 179 G C -0.090 174.854 174.900 0.074 0.000 0.981 179 G CA 0.056 45.196 45.100 0.067 0.000 0.670 179 G HN 0.858 nan 8.290 nan 0.000 0.528 180 V N 0.544 120.504 119.914 0.077 0.000 2.357 180 V HA 0.507 4.626 4.120 -0.000 0.000 0.284 180 V C 0.653 176.805 176.094 0.097 0.000 1.018 180 V CA -1.263 61.089 62.300 0.086 0.000 0.841 180 V CB 1.657 33.535 31.823 0.092 0.000 0.991 180 V HN 0.365 nan 8.190 nan 0.000 0.437 181 K N 3.785 124.239 120.400 0.090 0.000 2.473 181 K HA -0.019 4.301 4.320 -0.000 0.000 0.277 181 K C -0.241 176.446 176.600 0.144 0.000 1.052 181 K CA 0.414 56.757 56.287 0.094 0.000 1.114 181 K CB -0.262 32.289 32.500 0.084 0.000 0.869 181 K HN 0.825 nan 8.250 nan 0.000 0.481 182 C N 5.920 125.307 119.300 0.145 0.000 2.536 182 C HA 0.371 4.831 4.460 -0.000 0.000 0.396 182 C C 0.901 176.009 174.990 0.197 0.000 1.279 182 C CA -0.545 58.591 59.018 0.197 0.000 2.148 182 C CB -0.494 27.379 27.740 0.221 0.000 2.584 182 C HN 0.950 nan 8.230 nan 0.000 0.579 183 Y N 2.764 123.127 120.300 0.106 0.000 2.697 183 Y HA 0.331 4.881 4.550 -0.000 0.000 0.268 183 Y C 1.208 177.102 175.900 -0.010 0.000 1.092 183 Y CA 0.930 59.056 58.100 0.043 0.000 1.304 183 Y CB 0.023 38.510 38.460 0.044 0.000 1.446 183 Y HN 0.628 nan 8.280 nan 0.000 0.491 184 S N 0.423 116.269 115.700 0.244 0.000 2.775 184 S HA 0.174 4.644 4.470 -0.000 0.000 0.277 184 S C -0.165 174.472 174.600 0.062 0.000 1.156 184 S CA -0.591 57.598 58.200 -0.018 0.000 1.081 184 S CB -0.472 62.715 63.200 -0.022 0.000 1.054 184 S HN 0.448 nan 8.310 nan 0.000 0.482 185 W N 4.172 125.564 121.300 0.152 0.000 2.468 185 W HA 0.155 4.814 4.660 -0.002 0.000 0.262 185 W C 1.308 178.001 176.519 0.289 0.000 1.241 185 W CA 0.853 58.314 57.345 0.194 0.000 1.232 185 W CB -0.599 28.949 29.460 0.146 0.000 1.124 185 W HN 0.671 nan 8.180 nan 0.000 0.597 186 A N 0.149 122.950 122.820 -0.031 0.000 2.218 186 A HA 0.257 4.577 4.320 -0.000 0.000 0.209 186 A C 1.852 179.324 177.584 -0.187 0.000 1.168 186 A CA 0.877 52.920 52.037 0.011 0.000 0.804 186 A CB -0.296 18.597 19.000 -0.179 0.000 0.834 186 A HN 0.465 nan 8.150 nan 0.000 0.482 187 L N -1.544 119.658 121.223 -0.034 0.000 2.641 187 L HA 0.162 4.502 4.340 -0.000 0.000 0.207 187 L C -0.409 176.594 176.870 0.221 0.000 1.049 187 L CA -0.366 54.442 54.840 -0.053 0.000 0.866 187 L CB -0.246 41.757 42.059 -0.092 0.000 1.264 187 L HN 0.022 nan 8.230 nan 0.000 0.483 188 D N 2.356 122.924 120.400 0.279 0.000 2.662 188 D HA 0.051 4.691 4.640 -0.000 0.000 0.233 188 D C -0.194 176.323 176.300 0.360 0.000 1.129 188 D CA 1.030 55.202 54.000 0.286 0.000 0.851 188 D CB 0.521 41.480 40.800 0.264 0.000 1.152 188 D HN 0.064 nan 8.370 nan 0.000 0.507 189 T N 1.438 116.154 114.554 0.270 0.000 2.928 189 T HA 0.305 4.654 4.350 -0.000 0.000 0.296 189 T C 0.097 174.885 174.700 0.147 0.000 1.000 189 T CA -0.742 61.505 62.100 0.245 0.000 0.989 189 T CB 1.562 70.615 68.868 0.309 0.000 1.005 189 T HN -0.006 nan 8.240 nan 0.000 0.442 190 V N 2.690 122.666 119.914 0.103 0.000 2.715 190 V HA 0.666 4.786 4.120 -0.000 0.000 0.299 190 V C 0.963 177.081 176.094 0.041 0.000 1.054 190 V CA 0.103 62.447 62.300 0.072 0.000 1.077 190 V CB 1.164 33.017 31.823 0.050 0.000 0.972 190 V HN 1.088 nan 8.190 nan 0.000 0.484 191 G N 3.401 112.214 108.800 0.022 0.000 2.680 191 G HA2 0.723 4.683 3.960 -0.000 0.000 0.290 191 G HA3 0.723 4.683 3.960 -0.000 0.000 0.290 191 G C -1.846 172.995 174.900 -0.097 0.000 1.355 191 G CA -0.723 44.337 45.100 -0.067 0.000 0.903 191 G HN 0.452 nan 8.290 nan 0.000 0.474 192 L N -0.586 120.505 121.223 -0.219 0.000 2.341 192 L HA 0.719 5.059 4.340 -0.000 0.000 0.267 192 L C -1.079 175.569 176.870 -0.371 0.000 1.009 192 L CA -0.545 54.197 54.840 -0.165 0.000 0.819 192 L CB 1.969 43.956 42.059 -0.120 0.000 1.323 192 L HN 0.418 nan 8.230 nan 0.000 0.425 193 F N 0.275 120.196 119.950 -0.048 0.000 2.507 193 F HA 0.824 5.351 4.527 -0.000 0.000 0.325 193 F C 0.637 176.405 175.800 -0.053 0.000 1.116 193 F CA -0.525 57.447 58.000 -0.046 0.000 0.930 193 F CB 2.206 41.181 39.000 -0.042 0.000 1.146 193 F HN 0.467 nan 8.300 nan 0.000 0.447 194 G N 0.287 109.142 108.800 0.092 0.000 2.687 194 G HA2 0.542 4.502 3.960 -0.000 0.000 0.291 194 G HA3 0.542 4.502 3.960 -0.000 0.000 0.291 194 G C -0.041 174.863 174.900 0.006 0.000 1.420 194 G CA -0.207 44.908 45.100 0.025 0.000 0.796 194 G HN 0.779 nan 8.290 nan 0.000 0.485 195 A N -0.423 122.382 122.820 -0.026 0.000 1.845 195 A HA 0.291 4.611 4.320 -0.000 0.000 0.215 195 A C 1.428 178.973 177.584 -0.066 0.000 1.195 195 A CA 1.165 53.181 52.037 -0.035 0.000 0.616 195 A CB -0.218 18.753 19.000 -0.050 0.000 0.832 195 A HN 0.610 nan 8.150 nan 0.000 0.443 196 R N -3.823 116.603 120.500 -0.123 0.000 2.905 196 R HA 0.594 4.934 4.340 -0.000 0.000 0.260 196 R C 1.108 177.272 176.300 -0.225 0.000 1.086 196 R CA -0.163 55.828 56.100 -0.182 0.000 0.978 196 R CB 1.152 31.295 30.300 -0.262 0.000 1.215 196 R HN 0.204 nan 8.270 nan 0.000 0.480 197 A N 0.737 123.407 122.820 -0.249 0.000 1.948 197 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 197 A C 1.919 179.334 177.584 -0.281 0.000 1.177 197 A CA 2.217 54.131 52.037 -0.204 0.000 0.636 197 A CB -0.590 18.347 19.000 -0.105 0.000 0.815 197 A HN 0.882 nan 8.150 nan 0.000 0.449 198 E N -0.191 119.659 120.200 -0.583 0.000 2.110 198 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 198 E C 1.119 177.535 176.600 -0.307 0.000 0.988 198 E CA 1.300 57.325 56.400 -0.624 0.000 0.804 198 E CB -0.204 28.764 29.700 -1.220 0.000 0.745 198 E HN 0.616 nan 8.360 nan 0.000 0.458 199 D N 0.717 120.958 120.400 -0.265 0.000 2.178 199 D HA -0.144 4.496 4.640 -0.000 0.000 0.202 199 D C 2.165 178.385 176.300 -0.135 0.000 0.974 199 D CA 0.784 54.687 54.000 -0.162 0.000 0.841 199 D CB -0.038 40.684 40.800 -0.131 0.000 0.953 199 D HN 0.334 nan 8.370 nan 0.000 0.478 200 L N 0.945 122.079 121.223 -0.148 0.000 2.027 200 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 200 L C 2.737 179.501 176.870 -0.178 0.000 1.074 200 L CA 1.003 55.752 54.840 -0.150 0.000 0.745 200 L CB -0.543 41.429 42.059 -0.144 0.000 0.898 200 L HN -0.041 nan 8.230 nan 0.000 0.433 201 A N 0.069 122.813 122.820 -0.126 0.000 1.883 201 A HA -0.206 4.113 4.320 -0.000 0.000 0.217 201 A C 2.429 179.959 177.584 -0.089 0.000 1.186 201 A CA 1.458 53.450 52.037 -0.074 0.000 0.624 201 A CB -0.474 18.576 19.000 0.084 0.000 0.822 201 A HN 0.259 nan 8.150 nan 0.000 0.444 202 R N -0.819 119.643 120.500 -0.062 0.000 2.081 202 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 202 R C 2.403 178.658 176.300 -0.075 0.000 1.131 202 R CA 1.371 57.447 56.100 -0.040 0.000 0.960 202 R CB -1.216 29.062 30.300 -0.037 0.000 0.856 202 R HN 0.560 nan 8.270 nan 0.000 0.436 203 G N 1.102 109.835 108.800 -0.113 0.000 2.421 203 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.216 203 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.216 203 G C 1.628 176.423 174.900 -0.174 0.000 1.171 203 G CA 0.291 45.321 45.100 -0.117 0.000 0.775 203 G HN 0.174 nan 8.290 nan 0.000 0.543 204 L N -0.283 120.746 121.223 -0.324 0.000 2.083 204 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 204 L C 2.701 179.362 176.870 -0.348 0.000 1.083 204 L CA 0.498 55.012 54.840 -0.543 0.000 0.752 204 L CB -0.398 40.884 42.059 -1.295 0.000 0.899 204 L HN 0.246 nan 8.230 nan 0.000 0.433 205 L N 0.327 121.442 121.223 -0.179 0.000 2.017 205 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 205 L C 2.634 179.526 176.870 0.037 0.000 1.073 205 L CA 2.128 57.012 54.840 0.073 0.000 0.745 205 L CB -0.762 41.366 42.059 0.114 0.000 0.894 205 L HN 0.132 nan 8.230 nan 0.000 0.432 206 A N -0.738 122.077 122.820 -0.008 0.000 1.902 206 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 206 A C 2.281 179.862 177.584 -0.004 0.000 1.181 206 A CA 2.218 54.254 52.037 -0.002 0.000 0.623 206 A CB -0.570 18.423 19.000 -0.013 0.000 0.818 206 A HN 0.569 nan 8.150 nan 0.000 0.443 207 M N -0.631 118.952 119.600 -0.029 0.000 2.200 207 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 207 M C 2.242 178.545 176.300 0.004 0.000 1.066 207 M CA 1.908 57.195 55.300 -0.022 0.000 1.127 207 M CB -0.235 32.334 32.600 -0.051 0.000 1.379 207 M HN 0.684 nan 8.290 nan 0.000 0.420 208 T N -4.322 110.247 114.554 0.025 0.000 3.000 208 T HA 0.314 4.664 4.350 -0.000 0.000 0.248 208 T C 1.487 176.239 174.700 0.087 0.000 1.034 208 T CA 0.619 62.762 62.100 0.072 0.000 1.060 208 T CB 0.272 69.223 68.868 0.139 0.000 0.983 208 T HN 0.528 nan 8.240 nan 0.000 0.482 209 G N 2.378 111.236 108.800 0.095 0.000 2.153 209 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.252 209 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.252 209 G C 0.040 174.995 174.900 0.091 0.000 0.994 209 G CA -0.005 45.143 45.100 0.081 0.000 0.698 209 G HN 0.716 nan 8.290 nan 0.000 0.521 210 R N 0.477 121.067 120.500 0.151 0.000 2.340 210 R HA 0.434 4.774 4.340 -0.000 0.000 0.300 210 R C 1.919 178.240 176.300 0.034 0.000 1.069 210 R CA 0.293 56.441 56.100 0.081 0.000 0.984 210 R CB 0.941 31.286 30.300 0.075 0.000 1.003 210 R HN 0.428 nan 8.270 nan 0.000 0.459 211 S N 2.151 117.836 115.700 -0.025 0.000 2.419 211 S HA -0.216 4.254 4.470 -0.000 0.000 0.233 211 S C 1.502 176.050 174.600 -0.087 0.000 1.016 211 S CA 1.391 59.572 58.200 -0.031 0.000 0.974 211 S CB -0.216 62.964 63.200 -0.032 0.000 0.786 211 S HN 0.797 nan 8.310 nan 0.000 0.492 212 E N 0.434 120.496 120.200 -0.229 0.000 2.333 212 E HA -0.100 4.250 4.350 -0.000 0.000 0.198 212 E C 1.067 177.461 176.600 -0.345 0.000 1.007 212 E CA 0.847 57.041 56.400 -0.344 0.000 0.845 212 E CB -0.641 28.735 29.700 -0.540 0.000 0.766 212 E HN 0.746 nan 8.360 nan 0.000 0.507 213 F N 1.024 120.982 119.950 0.013 0.000 2.727 213 F HA 0.210 4.737 4.527 -0.000 0.000 0.302 213 F C 1.046 176.868 175.800 0.037 0.000 1.097 213 F CA -0.521 57.494 58.000 0.024 0.000 1.330 213 F CB 0.953 39.960 39.000 0.012 0.000 1.084 213 F HN -0.106 nan 8.300 nan 0.000 0.578 214 S N -0.127 115.662 115.700 0.147 0.000 2.508 214 S HA 0.486 4.956 4.470 -0.000 0.000 0.284 214 S C 0.828 175.481 174.600 0.090 0.000 1.192 214 S CA 0.178 58.445 58.200 0.112 0.000 1.070 214 S CB 0.937 64.180 63.200 0.072 0.000 1.004 214 S HN 0.606 nan 8.310 nan 0.000 0.493 215 G N 4.139 112.998 108.800 0.099 0.000 2.225 215 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.267 215 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.267 215 G C 0.087 175.044 174.900 0.095 0.000 1.024 215 G CA 0.296 45.446 45.100 0.084 0.000 0.784 215 G HN 0.751 nan 8.290 nan 0.000 0.507 216 I N -0.238 120.428 120.570 0.160 0.000 2.588 216 I HA 0.358 4.528 4.170 -0.000 0.000 0.283 216 I C 0.718 176.933 176.117 0.162 0.000 1.119 216 I CA -0.114 61.297 61.300 0.184 0.000 1.419 216 I CB 1.138 39.305 38.000 0.278 0.000 1.394 216 I HN -0.059 nan 8.210 nan 0.000 0.562 217 V N 7.054 126.947 119.914 -0.036 0.000 3.078 217 V HA 0.364 4.484 4.120 -0.000 0.000 0.311 217 V C -2.317 173.503 176.094 -0.457 0.000 1.138 217 V CA -1.847 60.209 62.300 -0.408 0.000 1.007 217 V CB 2.259 33.920 31.823 -0.270 0.000 1.045 217 V HN 0.581 nan 8.190 nan 0.000 0.432 218 P HA 0.125 nan 4.420 nan 0.000 0.263 218 P C -0.379 176.832 177.300 -0.148 0.000 1.175 218 P CA 0.403 63.206 63.100 -0.496 0.000 0.761 218 P CB 0.305 31.618 31.700 -0.644 0.000 0.794 219 A N 3.892 126.713 122.820 0.001 0.000 2.366 219 A HA 0.328 4.648 4.320 -0.000 0.000 0.250 219 A C 0.216 177.739 177.584 -0.101 0.000 1.099 219 A CA 0.279 52.289 52.037 -0.045 0.000 0.794 219 A CB 0.153 19.111 19.000 -0.071 0.000 1.056 219 A HN 0.362 nan 8.150 nan 0.000 0.499 220 K N -0.108 120.196 120.400 -0.160 0.000 2.316 220 K HA 0.577 4.897 4.320 -0.000 0.000 0.251 220 K C 0.012 176.455 176.600 -0.261 0.000 0.934 220 K CA 0.011 56.204 56.287 -0.156 0.000 0.802 220 K CB 1.516 33.973 32.500 -0.071 0.000 1.171 220 K HN 1.609 nan 8.250 nan 0.000 0.426 221 A N 2.583 125.243 122.820 -0.268 0.000 2.151 221 A HA -0.158 4.162 4.320 -0.000 0.000 0.271 221 A C -2.137 175.280 177.584 -0.279 0.000 1.348 221 A CA -0.123 51.776 52.037 -0.230 0.000 0.763 221 A CB -1.847 17.097 19.000 -0.093 0.000 1.117 221 A HN 0.354 nan 8.150 nan 0.000 0.342 222 P HA 0.285 nan 4.420 nan 0.000 0.271 222 P C 0.099 177.306 177.300 -0.154 0.000 1.218 222 P CA -0.056 62.863 63.100 -0.301 0.000 0.780 222 P CB 0.539 31.963 31.700 -0.459 0.000 0.901 223 R N 2.918 123.386 120.500 -0.054 0.000 2.196 223 R HA 0.439 4.779 4.340 -0.000 0.000 0.340 223 R C -0.161 176.139 176.300 -0.000 0.000 1.043 223 R CA -0.296 55.792 56.100 -0.021 0.000 0.883 223 R CB 0.140 30.440 30.300 -0.001 0.000 1.078 223 R HN 0.485 nan 8.270 nan 0.000 0.462 224 I N 1.105 121.667 120.570 -0.013 0.000 2.493 224 I HA 0.408 4.578 4.170 -0.000 0.000 0.298 224 I C 0.598 176.702 176.117 -0.023 0.000 0.998 224 I CA -0.815 60.479 61.300 -0.010 0.000 1.137 224 I CB 2.258 40.255 38.000 -0.005 0.000 1.310 224 I HN 0.588 nan 8.210 nan 0.000 0.445 225 G N 4.898 113.674 108.800 -0.040 0.000 2.487 225 G HA2 0.569 4.529 3.960 -0.000 0.000 0.314 225 G HA3 0.569 4.529 3.960 -0.000 0.000 0.314 225 G C -0.913 173.949 174.900 -0.065 0.000 1.267 225 G CA -0.365 44.701 45.100 -0.056 0.000 0.937 225 G HN 0.324 nan 8.290 nan 0.000 0.481 226 V N 2.892 122.770 119.914 -0.059 0.000 2.406 226 V HA 0.445 4.565 4.120 -0.000 0.000 0.272 226 V C 0.376 176.433 176.094 -0.062 0.000 1.043 226 V CA -0.538 61.714 62.300 -0.080 0.000 0.915 226 V CB 1.113 32.883 31.823 -0.088 0.000 0.988 226 V HN 0.750 nan 8.190 nan 0.000 0.466 227 V N 3.276 123.154 119.914 -0.060 0.000 2.444 227 V HA 0.576 4.696 4.120 -0.000 0.000 0.294 227 V C 0.476 176.544 176.094 -0.044 0.000 1.022 227 V CA -0.722 61.582 62.300 0.007 0.000 0.850 227 V CB 1.378 33.285 31.823 0.140 0.000 0.992 227 V HN 0.757 nan 8.190 nan 0.000 0.426 228 R N 1.855 122.324 120.500 -0.052 0.000 2.334 228 R HA 0.234 4.573 4.340 -0.000 0.000 0.220 228 R C 0.172 176.478 176.300 0.011 0.000 0.917 228 R CA -0.040 56.059 56.100 -0.002 0.000 1.073 228 R CB 0.042 30.369 30.300 0.046 0.000 1.056 228 R HN 0.941 nan 8.270 nan 0.000 0.506 229 Q N 0.514 120.175 119.800 -0.231 0.000 2.423 229 Q HA -0.237 4.103 4.340 -0.000 0.000 0.332 229 Q C -0.071 175.226 176.000 -1.172 0.000 1.355 229 Q CA 0.504 55.700 55.803 -1.011 0.000 0.947 229 Q CB -0.828 27.535 28.738 -0.626 0.000 1.189 229 Q HN 0.324 nan 8.270 nan 0.000 0.418 230 E N -0.190 119.572 120.200 -0.730 0.000 2.171 230 E HA -0.212 4.137 4.350 -0.000 0.000 0.197 230 E C 1.222 177.485 176.600 -0.562 0.000 0.997 230 E CA 1.962 58.093 56.400 -0.447 0.000 0.810 230 E CB -0.398 29.183 29.700 -0.199 0.000 0.738 230 E HN 0.797 nan 8.360 nan 0.000 0.467 231 F N -0.690 118.930 119.950 -0.549 0.000 2.307 231 F HA -0.002 4.526 4.527 0.001 0.000 0.301 231 F C 1.960 177.163 175.800 -0.994 0.000 1.076 231 F CA 0.730 58.309 58.000 -0.702 0.000 1.383 231 F CB -0.653 37.827 39.000 -0.868 0.000 1.055 231 F HN -0.002 nan 8.300 nan 0.000 0.526 232 A N 0.382 122.504 122.820 -1.163 0.000 2.251 232 A HA 0.548 4.868 4.320 -0.000 0.000 0.209 232 A C 1.385 178.699 177.584 -0.451 0.000 1.187 232 A CA 0.477 51.938 52.037 -0.960 0.000 0.823 232 A CB -1.224 17.075 19.000 -1.168 0.000 0.846 232 A HN 0.946 nan 8.150 nan 0.000 0.486 233 G N -1.614 106.999 108.800 -0.312 0.000 2.756 233 G HA2 0.357 4.317 3.960 -0.000 0.000 0.678 233 G HA3 0.357 4.317 3.960 -0.000 0.000 0.678 233 G C 0.067 174.946 174.900 -0.035 0.000 1.349 233 G CA -0.418 44.609 45.100 -0.122 0.000 0.847 233 G HN 1.608 nan 8.290 nan 0.000 0.548 234 A N -0.625 122.182 122.820 -0.021 0.000 2.407 234 A HA 0.719 5.039 4.320 -0.000 0.000 0.248 234 A C 0.954 178.511 177.584 -0.046 0.000 1.082 234 A CA 0.624 52.641 52.037 -0.034 0.000 0.785 234 A CB 1.226 20.205 19.000 -0.035 0.000 1.020 234 A HN 2.213 nan 8.150 nan 0.000 0.489 235 V N 1.305 121.083 119.914 -0.226 0.000 3.262 235 V HA 0.253 4.372 4.120 -0.000 0.000 0.313 235 V C 0.544 176.507 176.094 -0.217 0.000 1.070 235 V CA -0.555 61.517 62.300 -0.379 0.000 1.049 235 V CB 1.358 32.541 31.823 -1.066 0.000 1.157 235 V HN 1.031 nan 8.190 nan 0.000 0.454 236 E N 3.186 123.276 120.200 -0.183 0.000 2.366 236 E HA 0.192 4.542 4.350 -0.000 0.000 0.266 236 E C -1.790 174.755 176.600 -0.093 0.000 1.051 236 E CA -1.228 55.116 56.400 -0.094 0.000 0.884 236 E CB 0.953 30.622 29.700 -0.052 0.000 1.006 236 E HN 0.489 nan 8.360 nan 0.000 0.417 237 P HA -0.341 nan 4.420 nan 0.000 0.219 237 P C 0.977 178.261 177.300 -0.027 0.000 1.161 237 P CA 2.142 65.222 63.100 -0.033 0.000 0.909 237 P CB 0.099 31.786 31.700 -0.022 0.000 0.793 238 A N -0.568 122.236 122.820 -0.028 0.000 1.948 238 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 238 A C 2.324 179.901 177.584 -0.010 0.000 1.177 238 A CA 2.397 54.421 52.037 -0.020 0.000 0.636 238 A CB -1.618 17.367 19.000 -0.024 0.000 0.815 238 A HN 0.239 nan 8.150 nan 0.000 0.449 239 A N -0.441 122.360 122.820 -0.031 0.000 1.898 239 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 239 A C 1.981 179.628 177.584 0.106 0.000 1.181 239 A CA 2.037 54.067 52.037 -0.012 0.000 0.620 239 A CB -0.410 18.474 19.000 -0.194 0.000 0.819 239 A HN 0.543 nan 8.150 nan 0.000 0.442 240 E N 0.193 120.438 120.200 0.075 0.000 2.152 240 E HA -0.158 4.191 4.350 -0.000 0.000 0.192 240 E C 2.017 178.660 176.600 0.072 0.000 0.983 240 E CA 1.525 58.020 56.400 0.158 0.000 0.818 240 E CB -0.369 29.382 29.700 0.086 0.000 0.758 240 E HN 0.706 nan 8.360 nan 0.000 0.467 241 Q N -0.594 119.225 119.800 0.033 0.000 2.084 241 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 241 Q C 2.172 178.177 176.000 0.008 0.000 0.978 241 Q CA 1.396 57.205 55.803 0.011 0.000 0.844 241 Q CB -0.328 28.409 28.738 -0.001 0.000 0.898 241 Q HN 0.451 nan 8.270 nan 0.000 0.426 242 G N 0.737 109.546 108.800 0.016 0.000 2.408 242 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.217 242 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.217 242 G C 1.350 176.245 174.900 -0.008 0.000 1.150 242 G CA 0.407 45.509 45.100 0.004 0.000 0.776 242 G HN 0.223 nan 8.290 nan 0.000 0.542 243 L N 0.384 121.606 121.223 -0.002 0.000 2.056 243 L HA 0.027 4.367 4.340 -0.000 0.000 0.207 243 L C 2.776 179.611 176.870 -0.058 0.000 1.078 243 L CA 1.821 56.619 54.840 -0.071 0.000 0.749 243 L CB -0.584 41.376 42.059 -0.164 0.000 0.901 243 L HN 0.278 nan 8.230 nan 0.000 0.433 244 Q N -1.041 118.742 119.800 -0.028 0.000 2.167 244 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 244 Q C 2.170 178.157 176.000 -0.022 0.000 0.970 244 Q CA 1.316 57.105 55.803 -0.024 0.000 0.855 244 Q CB -0.205 28.527 28.738 -0.010 0.000 0.911 244 Q HN 0.685 nan 8.270 nan 0.000 0.438 245 A N 0.586 123.393 122.820 -0.021 0.000 1.968 245 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 245 A C 2.174 179.741 177.584 -0.028 0.000 1.169 245 A CA 1.277 53.300 52.037 -0.023 0.000 0.638 245 A CB -0.413 18.573 19.000 -0.022 0.000 0.812 245 A HN 0.372 nan 8.150 nan 0.000 0.446 246 A N 0.014 122.814 122.820 -0.033 0.000 1.897 246 A HA 0.039 4.359 4.320 -0.000 0.000 0.215 246 A C 2.072 179.643 177.584 -0.022 0.000 1.181 246 A CA 1.249 53.266 52.037 -0.034 0.000 0.620 246 A CB -0.501 18.474 19.000 -0.041 0.000 0.821 246 A HN 0.458 nan 8.150 nan 0.000 0.443 247 I N -0.435 120.119 120.570 -0.026 0.000 2.179 247 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 247 I C 2.559 178.676 176.117 -0.000 0.000 1.088 247 I CA 1.871 63.163 61.300 -0.013 0.000 1.357 247 I CB -0.264 37.720 38.000 -0.027 0.000 1.051 247 I HN 0.361 nan 8.210 nan 0.000 0.409 248 K N 1.288 121.682 120.400 -0.009 0.000 2.063 248 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 248 K C 2.171 178.767 176.600 -0.007 0.000 1.048 248 K CA 1.590 57.873 56.287 -0.006 0.000 0.928 248 K CB -0.105 32.388 32.500 -0.011 0.000 0.713 248 K HN 0.306 nan 8.250 nan 0.000 0.442 249 A N 0.802 123.610 122.820 -0.020 0.000 1.930 249 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 249 A C 2.252 179.812 177.584 -0.039 0.000 1.175 249 A CA 1.665 53.677 52.037 -0.042 0.000 0.627 249 A CB -0.621 18.340 19.000 -0.066 0.000 0.815 249 A HN 0.479 nan 8.150 nan 0.000 0.443 250 A N -0.045 122.779 122.820 0.008 0.000 1.841 250 A HA -0.143 4.177 4.320 -0.000 0.000 0.214 250 A C 1.912 179.587 177.584 0.152 0.000 1.195 250 A CA 1.578 53.686 52.037 0.119 0.000 0.611 250 A CB -0.634 18.470 19.000 0.174 0.000 0.835 250 A HN 0.582 nan 8.150 nan 0.000 0.443 251 E N -0.717 119.534 120.200 0.084 0.000 2.049 251 E HA -0.225 4.125 4.350 -0.000 0.000 0.198 251 E C 2.201 178.837 176.600 0.060 0.000 1.007 251 E CA 1.283 57.722 56.400 0.065 0.000 0.809 251 E CB -0.190 29.530 29.700 0.032 0.000 0.749 251 E HN 0.469 nan 8.360 nan 0.000 0.450 252 R N -0.187 120.334 120.500 0.036 0.000 2.377 252 R HA -0.049 4.291 4.340 -0.000 0.000 0.207 252 R C 1.264 177.583 176.300 0.032 0.000 1.075 252 R CA 0.683 56.796 56.100 0.023 0.000 1.035 252 R CB 0.090 30.391 30.300 0.002 0.000 0.857 252 R HN 0.086 nan 8.270 nan 0.000 0.475 253 A N -1.264 121.598 122.820 0.070 0.000 2.390 253 A HA 0.317 4.637 4.320 -0.000 0.000 0.232 253 A C 1.057 178.776 177.584 0.224 0.000 1.233 253 A CA 0.480 52.580 52.037 0.105 0.000 0.907 253 A CB 0.635 19.625 19.000 -0.017 0.000 0.967 253 A HN 0.355 nan 8.150 nan 0.000 0.512 254 G N -1.776 107.124 108.800 0.165 0.000 2.148 254 G HA2 0.193 4.153 3.960 -0.000 0.000 0.203 254 G HA3 0.193 4.153 3.960 -0.000 0.000 0.203 254 G C 0.280 175.227 174.900 0.079 0.000 0.993 254 G CA 0.065 45.234 45.100 0.115 0.000 0.661 254 G HN 1.518 nan 8.290 nan 0.000 0.518 255 A N 0.409 123.304 122.820 0.124 0.000 2.306 255 A HA 0.807 5.127 4.320 -0.000 0.000 0.314 255 A C 0.723 178.320 177.584 0.021 0.000 1.164 255 A CA 0.588 52.641 52.037 0.026 0.000 0.822 255 A CB 0.824 19.869 19.000 0.075 0.000 1.130 255 A HN 1.780 nan 8.150 nan 0.000 0.496 256 S N 1.490 117.183 115.700 -0.012 0.000 2.416 256 S HA 0.499 4.969 4.470 -0.000 0.000 0.287 256 S C -0.398 174.200 174.600 -0.004 0.000 1.139 256 S CA -0.556 57.641 58.200 -0.006 0.000 1.058 256 S CB 0.450 63.642 63.200 -0.014 0.000 0.967 256 S HN 0.608 nan 8.310 nan 0.000 0.495 257 V N 5.132 125.047 119.914 0.002 0.000 2.370 257 V HA 0.499 4.619 4.120 -0.000 0.000 0.283 257 V C -0.088 176.000 176.094 -0.010 0.000 1.023 257 V CA -0.609 61.689 62.300 -0.003 0.000 0.857 257 V CB 1.000 32.825 31.823 0.003 0.000 0.985 257 V HN 0.996 nan 8.190 nan 0.000 0.443 258 Q N 3.839 123.628 119.800 -0.017 0.000 2.323 258 Q HA 0.827 5.167 4.340 -0.000 0.000 0.271 258 Q C -0.676 175.310 176.000 -0.024 0.000 1.048 258 Q CA -0.848 54.944 55.803 -0.018 0.000 0.792 258 Q CB 2.332 31.061 28.738 -0.016 0.000 1.280 258 Q HN 0.730 nan 8.270 nan 0.000 0.441 259 A N 4.603 127.410 122.820 -0.021 0.000 2.451 259 A HA 0.475 4.795 4.320 -0.000 0.000 0.266 259 A C -0.377 177.200 177.584 -0.012 0.000 1.119 259 A CA -0.214 51.811 52.037 -0.021 0.000 0.786 259 A CB -0.120 18.870 19.000 -0.016 0.000 1.061 259 A HN 0.743 nan 8.150 nan 0.000 0.503 260 I N 1.953 122.518 120.570 -0.009 0.000 2.603 260 I HA 0.294 4.464 4.170 -0.000 0.000 0.300 260 I C -0.588 175.552 176.117 0.038 0.000 1.017 260 I CA -0.824 60.478 61.300 0.004 0.000 1.098 260 I CB 2.075 40.065 38.000 -0.016 0.000 1.279 260 I HN 0.540 nan 8.210 nan 0.000 0.437 261 D N 5.351 125.784 120.400 0.054 0.000 2.175 261 D HA 0.457 5.096 4.640 -0.000 0.000 0.248 261 D C -0.481 175.905 176.300 0.144 0.000 1.047 261 D CA -0.282 53.783 54.000 0.108 0.000 0.883 261 D CB 2.224 43.075 40.800 0.085 0.000 1.180 261 D HN 0.223 nan 8.370 nan 0.000 0.438 262 L N 3.160 124.553 121.223 0.283 0.000 2.326 262 L HA 0.287 4.627 4.340 -0.000 0.000 0.278 262 L C -2.076 174.900 176.870 0.177 0.000 1.092 262 L CA -1.721 53.295 54.840 0.295 0.000 0.810 262 L CB 0.844 43.171 42.059 0.448 0.000 1.153 262 L HN 0.048 nan 8.230 nan 0.000 0.439 263 P HA -0.080 nan 4.420 nan 0.000 0.265 263 P C 0.344 177.509 177.300 -0.225 0.000 1.187 263 P CA 0.075 63.134 63.100 -0.069 0.000 0.766 263 P CB 0.637 32.325 31.700 -0.020 0.000 0.820 264 E N 4.003 124.005 120.200 -0.330 0.000 2.130 264 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 264 E C 1.818 178.291 176.600 -0.211 0.000 0.998 264 E CA 2.194 58.345 56.400 -0.415 0.000 0.806 264 E CB -0.888 28.666 29.700 -0.244 0.000 0.738 264 E HN 0.449 nan 8.360 nan 0.000 0.459 265 A N -0.096 122.649 122.820 -0.126 0.000 1.940 265 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 265 A C 2.498 180.036 177.584 -0.076 0.000 1.176 265 A CA 1.689 53.678 52.037 -0.080 0.000 0.631 265 A CB -0.665 18.302 19.000 -0.056 0.000 0.814 265 A HN 0.209 nan 8.150 nan 0.000 0.446 266 V N -0.359 119.516 119.914 -0.065 0.000 2.358 266 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 266 V C 2.239 178.211 176.094 -0.203 0.000 1.047 266 V CA 2.053 64.303 62.300 -0.084 0.000 1.035 266 V CB -1.236 30.585 31.823 -0.004 0.000 0.658 266 V HN 0.722 nan 8.190 nan 0.000 0.452 267 H N -0.430 118.386 119.070 -0.423 0.000 2.387 267 H HA -0.148 4.408 4.556 -0.000 0.000 0.299 267 H C 2.437 177.573 175.328 -0.320 0.000 1.099 267 H CA 1.290 56.944 56.048 -0.658 0.000 1.315 267 H CB 0.197 29.778 29.762 -0.301 0.000 1.380 267 H HN 0.391 nan 8.280 nan 0.000 0.513 268 E N 0.865 121.042 120.200 -0.039 0.000 2.072 268 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 268 E C 2.510 179.081 176.600 -0.048 0.000 0.985 268 E CA 0.790 57.177 56.400 -0.022 0.000 0.801 268 E CB -0.232 29.445 29.700 -0.038 0.000 0.750 268 E HN 0.442 nan 8.360 nan 0.000 0.452 269 A N 0.511 123.278 122.820 -0.088 0.000 1.908 269 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 269 A C 2.062 179.594 177.584 -0.088 0.000 1.181 269 A CA 1.552 53.530 52.037 -0.099 0.000 0.627 269 A CB -1.159 17.772 19.000 -0.114 0.000 0.818 269 A HN 0.473 nan 8.150 nan 0.000 0.445 270 W N 0.573 121.672 121.300 -0.335 0.000 2.358 270 W HA -0.185 4.474 4.660 -0.001 0.000 0.303 270 W C 2.361 178.779 176.519 -0.168 0.000 1.208 270 W CA 1.944 59.100 57.345 -0.316 0.000 1.274 270 W CB -0.148 28.973 29.460 -0.565 0.000 1.138 270 W HN 0.305 nan 8.180 nan 0.000 0.515 271 R N 0.753 121.285 120.500 0.052 0.000 2.096 271 R HA -0.187 4.153 4.340 -0.000 0.000 0.235 271 R C 1.845 178.020 176.300 -0.209 0.000 1.127 271 R CA 2.309 58.363 56.100 -0.076 0.000 0.968 271 R CB -0.691 29.677 30.300 0.114 0.000 0.861 271 R HN 0.423 nan 8.270 nan 0.000 0.440 272 I N -1.749 118.735 120.570 -0.145 0.000 3.793 272 I HA 0.025 4.195 4.170 -0.000 0.000 0.315 272 I C 1.948 177.987 176.117 -0.130 0.000 1.275 272 I CA 0.447 61.670 61.300 -0.129 0.000 1.214 272 I CB -0.574 37.362 38.000 -0.108 0.000 1.018 272 I HN 0.110 nan 8.210 nan 0.000 0.439 273 H N 3.226 122.127 119.070 -0.281 0.000 2.321 273 H HA -0.094 4.462 4.556 0.000 0.000 0.295 273 H C -0.747 174.465 175.328 -0.194 0.000 1.102 273 H CA 2.591 58.486 56.048 -0.254 0.000 1.266 273 H CB -1.290 28.266 29.762 -0.342 0.000 1.363 273 H HN 0.218 nan 8.280 nan 0.000 0.492 274 P HA -0.123 nan 4.420 nan 0.000 0.219 274 P C 1.794 179.076 177.300 -0.030 0.000 1.146 274 P CA 0.989 64.092 63.100 0.004 0.000 0.808 274 P CB -0.005 31.662 31.700 -0.055 0.000 0.779 275 I N -1.300 119.240 120.570 -0.049 0.000 2.233 275 I HA -0.136 4.034 4.170 -0.000 0.000 0.243 275 I C 2.300 178.449 176.117 0.055 0.000 1.093 275 I CA 1.286 62.586 61.300 -0.000 0.000 1.380 275 I CB -1.256 36.726 38.000 -0.029 0.000 1.067 275 I HN -0.024 nan 8.210 nan 0.000 0.413 276 I N 0.460 121.017 120.570 -0.021 0.000 2.179 276 I HA -0.323 3.846 4.170 -0.000 0.000 0.242 276 I C 2.748 178.837 176.117 -0.048 0.000 1.088 276 I CA 1.325 62.645 61.300 0.033 0.000 1.357 276 I CB -0.451 37.462 38.000 -0.145 0.000 1.051 276 I HN 0.334 nan 8.210 nan 0.000 0.409 277 Q N 1.055 120.747 119.800 -0.179 0.000 2.030 277 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 277 Q C 1.703 177.703 176.000 0.000 0.000 0.986 277 Q CA 2.224 57.957 55.803 -0.117 0.000 0.843 277 Q CB 0.003 28.656 28.738 -0.141 0.000 0.904 277 Q HN 0.448 nan 8.270 nan 0.000 0.420 278 D N -0.275 120.140 120.400 0.026 0.000 2.178 278 D HA -0.120 4.520 4.640 -0.000 0.000 0.202 278 D C 1.548 177.840 176.300 -0.014 0.000 0.974 278 D CA 0.636 54.644 54.000 0.012 0.000 0.841 278 D CB -0.321 40.507 40.800 0.046 0.000 0.953 278 D HN 0.259 nan 8.370 nan 0.000 0.478 279 F N 1.977 121.846 119.950 -0.135 0.000 2.084 279 F HA -0.087 4.440 4.527 0.001 0.000 0.296 279 F C 2.094 177.707 175.800 -0.312 0.000 1.111 279 F CA 1.341 59.216 58.000 -0.209 0.000 1.224 279 F CB -0.010 38.806 39.000 -0.308 0.000 0.991 279 F HN -0.143 nan 8.300 nan 0.000 0.471 280 E N 0.312 120.276 120.200 -0.392 0.000 2.150 280 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 280 E C 2.362 178.692 176.600 -0.450 0.000 0.985 280 E CA 0.816 56.833 56.400 -0.637 0.000 0.814 280 E CB -0.443 28.660 29.700 -0.996 0.000 0.752 280 E HN 0.495 nan 8.360 nan 0.000 0.466 281 A N 1.775 124.338 122.820 -0.429 0.000 1.917 281 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 281 A C 1.911 179.176 177.584 -0.533 0.000 1.182 281 A CA 1.566 53.236 52.037 -0.613 0.000 0.633 281 A CB -0.779 17.770 19.000 -0.751 0.000 0.819 281 A HN 0.294 nan 8.150 nan 0.000 0.448 282 H N -0.772 118.012 119.070 -0.477 0.000 2.421 282 H HA -0.039 4.516 4.556 -0.000 0.000 0.298 282 H C 2.203 177.324 175.328 -0.345 0.000 1.087 282 H CA 1.607 57.371 56.048 -0.473 0.000 1.330 282 H CB 0.097 29.532 29.762 -0.544 0.000 1.388 282 H HN 0.322 nan 8.280 nan 0.000 0.526 283 R N 0.368 120.752 120.500 -0.195 0.000 2.080 283 R HA 0.108 4.448 4.340 -0.000 0.000 0.222 283 R C 2.342 178.666 176.300 0.040 0.000 1.107 283 R CA 0.866 56.937 56.100 -0.048 0.000 0.980 283 R CB -0.909 29.441 30.300 0.085 0.000 0.879 283 R HN 0.229 nan 8.270 nan 0.000 0.439 284 A N 0.681 123.540 122.820 0.064 0.000 2.015 284 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 284 A C 1.661 179.222 177.584 -0.040 0.000 1.163 284 A CA 0.890 52.968 52.037 0.070 0.000 0.646 284 A CB -0.166 18.894 19.000 0.101 0.000 0.806 284 A HN 0.200 nan 8.150 nan 0.000 0.448 285 L N -1.246 119.896 121.223 -0.134 0.000 3.066 285 L HA 0.270 4.610 4.340 -0.000 0.000 0.265 285 L C 2.110 178.968 176.870 -0.019 0.000 1.232 285 L CA 0.226 54.976 54.840 -0.150 0.000 1.031 285 L CB 0.167 42.019 42.059 -0.346 0.000 1.379 285 L HN 0.324 nan 8.230 nan 0.000 0.563 286 A N 0.546 123.391 122.820 0.042 0.000 1.892 286 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 286 A C 1.921 179.612 177.584 0.179 0.000 1.188 286 A CA 1.936 54.044 52.037 0.117 0.000 0.631 286 A CB -0.738 18.315 19.000 0.089 0.000 0.822 286 A HN 0.713 nan 8.150 nan 0.000 0.447 287 W N 0.946 122.260 121.300 0.023 0.000 2.355 287 W HA -0.177 4.483 4.660 -0.001 0.000 0.309 287 W C 1.851 178.413 176.519 0.073 0.000 1.206 287 W CA 2.128 59.495 57.345 0.037 0.000 1.284 287 W CB -0.183 29.292 29.460 0.026 0.000 1.145 287 W HN 0.415 nan 8.180 nan 0.000 0.502 288 E N -0.509 119.740 120.200 0.082 0.000 2.051 288 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 288 E C 1.939 178.463 176.600 -0.127 0.000 0.991 288 E CA 1.768 58.088 56.400 -0.133 0.000 0.799 288 E CB -1.075 28.544 29.700 -0.135 0.000 0.748 288 E HN 0.322 nan 8.360 nan 0.000 0.449 289 F N 0.648 120.500 119.950 -0.164 0.000 2.234 289 F HA -0.137 4.390 4.527 0.000 0.000 0.299 289 F C 1.999 177.770 175.800 -0.048 0.000 1.087 289 F CA 1.132 59.078 58.000 -0.090 0.000 1.340 289 F CB 0.044 39.016 39.000 -0.048 0.000 1.031 289 F HN -0.102 nan 8.300 nan 0.000 0.500 290 S N -0.443 115.194 115.700 -0.105 0.000 2.387 290 S HA -0.049 4.420 4.470 -0.000 0.000 0.221 290 S C 1.717 176.109 174.600 -0.346 0.000 1.041 290 S CA 0.886 58.966 58.200 -0.199 0.000 0.959 290 S CB -0.116 63.036 63.200 -0.081 0.000 0.843 290 S HN 0.348 nan 8.310 nan 0.000 0.488 291 E N 0.588 120.468 120.200 -0.534 0.000 2.340 291 E HA 0.082 4.432 4.350 -0.000 0.000 0.194 291 E C 0.141 176.106 176.600 -1.059 0.000 0.996 291 E CA 0.677 56.591 56.400 -0.810 0.000 0.869 291 E CB 0.089 29.105 29.700 -1.140 0.000 0.835 291 E HN 0.567 nan 8.360 nan 0.000 0.493 292 H N -0.589 118.201 119.070 -0.467 0.000 2.767 292 H HA 0.091 4.647 4.556 -0.000 0.000 0.235 292 H C 1.212 176.425 175.328 -0.192 0.000 1.256 292 H CA -0.206 55.656 56.048 -0.310 0.000 0.957 292 H CB 0.155 29.701 29.762 -0.361 0.000 2.117 292 H HN 0.188 nan 8.280 nan 0.000 0.602 293 H N 1.981 120.895 119.070 -0.260 0.000 2.265 293 H HA -0.147 4.409 4.556 -0.000 0.000 0.293 293 H C 0.641 175.893 175.328 -0.126 0.000 1.089 293 H CA 1.998 57.882 56.048 -0.273 0.000 1.244 293 H CB 0.364 29.855 29.762 -0.451 0.000 1.355 293 H HN 0.348 nan 8.280 nan 0.000 0.485 294 D N 0.411 120.878 120.400 0.111 0.000 2.264 294 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 294 D C 1.873 178.189 176.300 0.028 0.000 0.966 294 D CA 0.705 54.757 54.000 0.086 0.000 0.864 294 D CB -0.225 40.621 40.800 0.076 0.000 0.933 294 D HN 0.627 nan 8.370 nan 0.000 0.499 295 E N -0.011 120.210 120.200 0.036 0.000 2.435 295 E HA 0.069 4.419 4.350 -0.000 0.000 0.195 295 E C 0.612 177.261 176.600 0.082 0.000 1.029 295 E CA -0.089 56.348 56.400 0.062 0.000 0.865 295 E CB 0.463 30.216 29.700 0.088 0.000 0.833 295 E HN 0.285 nan 8.360 nan 0.000 0.510 296 I N 1.938 122.536 120.570 0.047 0.000 2.588 296 I HA 0.020 4.190 4.170 -0.000 0.000 0.283 296 I C 0.586 176.749 176.117 0.077 0.000 1.119 296 I CA -0.671 60.690 61.300 0.100 0.000 1.419 296 I CB 0.679 38.678 38.000 -0.001 0.000 1.394 296 I HN 0.022 nan 8.210 nan 0.000 0.562 297 A N 8.493 131.391 122.820 0.129 0.000 2.587 297 A HA 0.079 4.399 4.320 -0.000 0.000 0.235 297 A C -1.431 176.190 177.584 0.062 0.000 1.044 297 A CA -0.731 51.358 52.037 0.086 0.000 0.754 297 A CB -0.398 18.658 19.000 0.094 0.000 0.968 297 A HN 0.599 nan 8.150 nan 0.000 0.509 298 P HA -0.290 nan 4.420 nan 0.000 0.219 298 P C 1.647 178.973 177.300 0.043 0.000 1.159 298 P CA 2.310 65.433 63.100 0.037 0.000 0.944 298 P CB -0.130 31.592 31.700 0.036 0.000 0.792 299 M N -2.385 117.245 119.600 0.051 0.000 2.086 299 M HA -0.158 4.321 4.480 -0.000 0.000 0.261 299 M C 2.171 178.509 176.300 0.064 0.000 1.067 299 M CA 1.590 56.923 55.300 0.054 0.000 1.116 299 M CB -1.020 31.612 32.600 0.054 0.000 1.348 299 M HN -0.041 nan 8.290 nan 0.000 0.407 300 L N 0.505 121.777 121.223 0.083 0.000 2.017 300 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 300 L C 2.505 179.406 176.870 0.052 0.000 1.073 300 L CA 1.880 56.779 54.840 0.097 0.000 0.745 300 L CB -0.763 41.392 42.059 0.161 0.000 0.894 300 L HN 0.198 nan 8.230 nan 0.000 0.432 301 R N -0.634 119.886 120.500 0.033 0.000 2.105 301 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 301 R C 2.047 178.374 176.300 0.046 0.000 1.135 301 R CA 1.427 57.517 56.100 -0.017 0.000 0.967 301 R CB -0.298 29.941 30.300 -0.102 0.000 0.861 301 R HN 0.545 nan 8.270 nan 0.000 0.442 302 A N 0.235 123.088 122.820 0.055 0.000 1.897 302 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 302 A C 2.145 179.771 177.584 0.071 0.000 1.181 302 A CA 1.599 53.680 52.037 0.074 0.000 0.620 302 A CB -0.466 18.570 19.000 0.060 0.000 0.821 302 A HN 0.573 nan 8.150 nan 0.000 0.443 303 S N 0.016 115.747 115.700 0.052 0.000 2.383 303 S HA -0.048 4.422 4.470 -0.000 0.000 0.227 303 S C 1.887 176.492 174.600 0.008 0.000 1.026 303 S CA 1.296 59.519 58.200 0.039 0.000 0.981 303 S CB -0.651 62.577 63.200 0.046 0.000 0.818 303 S HN 0.418 nan 8.310 nan 0.000 0.472 304 L N 1.443 122.641 121.223 -0.042 0.000 2.027 304 L HA -0.078 4.261 4.340 -0.000 0.000 0.206 304 L C 2.456 179.341 176.870 0.026 0.000 1.074 304 L CA 1.579 56.286 54.840 -0.222 0.000 0.745 304 L CB -0.673 41.194 42.059 -0.319 0.000 0.898 304 L HN 0.220 nan 8.230 nan 0.000 0.433 305 D N 0.113 120.637 120.400 0.207 0.000 2.182 305 D HA -0.157 4.483 4.640 -0.000 0.000 0.201 305 D C 2.035 178.444 176.300 0.182 0.000 0.986 305 D CA 1.410 55.597 54.000 0.313 0.000 0.847 305 D CB 0.074 41.059 40.800 0.309 0.000 0.942 305 D HN 0.326 nan 8.370 nan 0.000 0.467 306 A N -0.157 122.737 122.820 0.124 0.000 2.169 306 A HA 0.005 4.325 4.320 -0.000 0.000 0.212 306 A C 1.877 179.508 177.584 0.078 0.000 1.153 306 A CA 1.388 53.477 52.037 0.087 0.000 0.756 306 A CB -0.149 18.891 19.000 0.066 0.000 0.813 306 A HN 0.288 nan 8.150 nan 0.000 0.471 307 T N -4.073 110.550 114.554 0.115 0.000 3.085 307 T HA 0.199 4.549 4.350 -0.000 0.000 0.264 307 T C 1.247 175.971 174.700 0.040 0.000 1.019 307 T CA 0.617 62.786 62.100 0.115 0.000 0.910 307 T CB 0.040 68.990 68.868 0.135 0.000 1.059 307 T HN -0.041 nan 8.240 nan 0.000 0.542 308 V N 1.897 121.783 119.914 -0.048 0.000 2.453 308 V HA -0.087 4.033 4.120 -0.000 0.000 0.252 308 V C 2.808 178.726 176.094 -0.293 0.000 1.068 308 V CA 2.229 64.265 62.300 -0.440 0.000 1.070 308 V CB -1.129 30.598 31.823 -0.159 0.000 0.664 308 V HN 0.715 nan 8.190 nan 0.000 0.461 309 G N -0.792 107.943 108.800 -0.108 0.000 2.712 309 G HA2 0.062 4.022 3.960 -0.000 0.000 0.212 309 G HA3 0.062 4.022 3.960 -0.000 0.000 0.212 309 G C 0.635 175.531 174.900 -0.008 0.000 1.142 309 G CA -0.344 44.725 45.100 -0.052 0.000 0.789 309 G HN 0.449 nan 8.290 nan 0.000 0.535 310 L N 2.135 123.372 121.223 0.024 0.000 2.593 310 L HA 0.128 4.468 4.340 -0.000 0.000 0.287 310 L C 1.211 178.182 176.870 0.168 0.000 1.243 310 L CA 0.136 55.043 54.840 0.111 0.000 0.890 310 L CB 0.235 42.433 42.059 0.232 0.000 1.134 310 L HN 0.181 nan 8.230 nan 0.000 0.502 311 T N -0.338 114.241 114.554 0.041 0.000 2.945 311 T HA 0.387 4.737 4.350 -0.000 0.000 0.286 311 T C -1.987 172.576 174.700 -0.228 0.000 1.025 311 T CA -2.071 60.036 62.100 0.011 0.000 1.039 311 T CB 2.000 70.861 68.868 -0.012 0.000 1.068 311 T HN 0.269 nan 8.240 nan 0.000 0.497 312 P HA -0.040 nan 4.420 nan 0.000 0.218 312 P C 1.464 178.688 177.300 -0.126 0.000 1.148 312 P CA 0.910 63.893 63.100 -0.195 0.000 0.822 312 P CB 0.138 31.880 31.700 0.070 0.000 0.784 313 K N 0.863 121.211 120.400 -0.086 0.000 1.973 313 K HA -0.204 4.116 4.320 -0.000 0.000 0.212 313 K C 2.096 178.634 176.600 -0.104 0.000 1.047 313 K CA 1.943 58.187 56.287 -0.072 0.000 0.937 313 K CB -0.374 32.098 32.500 -0.046 0.000 0.721 313 K HN 0.148 nan 8.250 nan 0.000 0.440 314 E N -0.569 119.565 120.200 -0.109 0.000 2.204 314 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 314 E C 2.003 178.517 176.600 -0.143 0.000 0.990 314 E CA 0.993 57.329 56.400 -0.108 0.000 0.821 314 E CB -0.550 29.102 29.700 -0.080 0.000 0.750 314 E HN 0.474 nan 8.360 nan 0.000 0.477 315 Y N 2.820 122.877 120.300 -0.404 0.000 2.089 315 Y HA -0.192 4.358 4.550 0.000 0.000 0.282 315 Y C 1.733 177.451 175.900 -0.303 0.000 1.139 315 Y CA 2.090 59.883 58.100 -0.511 0.000 1.123 315 Y CB -0.339 37.448 38.460 -1.121 0.000 0.980 315 Y HN -0.071 nan 8.280 nan 0.000 0.493 316 D N 0.007 120.175 120.400 -0.386 0.000 2.149 316 D HA -0.184 4.455 4.640 -0.000 0.000 0.198 316 D C 2.006 178.138 176.300 -0.280 0.000 0.990 316 D CA 1.649 55.422 54.000 -0.379 0.000 0.839 316 D CB -0.283 40.409 40.800 -0.179 0.000 0.948 316 D HN 0.440 nan 8.370 nan 0.000 0.460 317 E N 1.040 121.118 120.200 -0.203 0.000 2.077 317 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 317 E C 1.898 178.397 176.600 -0.168 0.000 0.989 317 E CA 1.351 57.660 56.400 -0.151 0.000 0.800 317 E CB -0.300 29.334 29.700 -0.111 0.000 0.746 317 E HN 0.174 nan 8.360 nan 0.000 0.452 318 A N 0.635 123.334 122.820 -0.201 0.000 1.930 318 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 318 A C 2.194 179.642 177.584 -0.227 0.000 1.175 318 A CA 1.456 53.380 52.037 -0.189 0.000 0.627 318 A CB -0.401 18.496 19.000 -0.171 0.000 0.815 318 A HN 0.178 nan 8.150 nan 0.000 0.443 319 R N -0.882 119.421 120.500 -0.328 0.000 2.081 319 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 319 R C 2.518 178.696 176.300 -0.204 0.000 1.131 319 R CA 1.504 57.419 56.100 -0.308 0.000 0.960 319 R CB -0.346 29.700 30.300 -0.424 0.000 0.856 319 R HN 0.587 nan 8.270 nan 0.000 0.436 320 R N 1.199 121.590 120.500 -0.181 0.000 2.081 320 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 320 R C 2.204 178.439 176.300 -0.109 0.000 1.131 320 R CA 1.417 57.441 56.100 -0.126 0.000 0.960 320 R CB -0.252 29.982 30.300 -0.109 0.000 0.856 320 R HN 0.181 nan 8.270 nan 0.000 0.436 321 I N 0.234 120.735 120.570 -0.115 0.000 2.264 321 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 321 I C 2.398 178.455 176.117 -0.099 0.000 1.111 321 I CA 1.500 62.741 61.300 -0.097 0.000 1.382 321 I CB -0.546 37.397 38.000 -0.096 0.000 1.060 321 I HN 0.435 nan 8.210 nan 0.000 0.418 322 G N 0.377 109.105 108.800 -0.121 0.000 2.422 322 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 322 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 322 G C 1.827 176.665 174.900 -0.103 0.000 1.140 322 G CA 0.204 45.232 45.100 -0.120 0.000 0.775 322 G HN 0.294 nan 8.290 nan 0.000 0.545 323 R N -0.314 120.126 120.500 -0.100 0.000 2.090 323 R HA 0.065 4.405 4.340 -0.000 0.000 0.228 323 R C 2.599 178.863 176.300 -0.060 0.000 1.110 323 R CA 0.967 57.018 56.100 -0.082 0.000 0.973 323 R CB -0.217 30.037 30.300 -0.077 0.000 0.869 323 R HN 0.280 nan 8.270 nan 0.000 0.440 324 R N 0.433 120.898 120.500 -0.058 0.000 2.115 324 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 324 R C 2.133 178.413 176.300 -0.034 0.000 1.111 324 R CA 1.505 57.579 56.100 -0.043 0.000 0.976 324 R CB -0.341 29.931 30.300 -0.046 0.000 0.870 324 R HN 0.260 nan 8.270 nan 0.000 0.445 325 G N 0.410 109.183 108.800 -0.044 0.000 2.408 325 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 325 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 325 G C 1.326 176.227 174.900 0.002 0.000 1.150 325 G CA 0.316 45.397 45.100 -0.032 0.000 0.776 325 G HN 0.276 nan 8.290 nan 0.000 0.542 326 R N -0.043 120.450 120.500 -0.011 0.000 2.081 326 R HA 0.026 4.366 4.340 -0.000 0.000 0.235 326 R C 2.766 179.089 176.300 0.039 0.000 1.131 326 R CA 0.896 57.003 56.100 0.012 0.000 0.960 326 R CB -0.312 29.958 30.300 -0.050 0.000 0.856 326 R HN 0.262 nan 8.270 nan 0.000 0.436 327 R N 0.961 121.470 120.500 0.015 0.000 2.088 327 R HA -0.177 4.163 4.340 -0.000 0.000 0.232 327 R C 2.176 178.509 176.300 0.055 0.000 1.136 327 R CA 1.825 57.941 56.100 0.027 0.000 0.926 327 R CB -0.288 30.016 30.300 0.008 0.000 0.837 327 R HN 0.344 nan 8.270 nan 0.000 0.429 328 E N 0.449 120.675 120.200 0.043 0.000 2.204 328 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 328 E C 1.872 178.528 176.600 0.095 0.000 0.990 328 E CA 0.623 57.054 56.400 0.051 0.000 0.821 328 E CB -0.065 29.647 29.700 0.021 0.000 0.750 328 E HN 0.098 nan 8.360 nan 0.000 0.477 329 L N 0.364 121.666 121.223 0.131 0.000 2.131 329 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 329 L C 2.065 179.144 176.870 0.348 0.000 1.092 329 L CA 1.977 56.955 54.840 0.231 0.000 0.759 329 L CB -0.711 41.522 42.059 0.290 0.000 0.903 329 L HN 0.073 nan 8.230 nan 0.000 0.435 330 G N -1.197 107.772 108.800 0.282 0.000 2.422 330 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 330 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 330 G C 1.391 176.453 174.900 0.269 0.000 1.140 330 G CA 0.629 45.919 45.100 0.317 0.000 0.775 330 G HN 0.538 nan 8.290 nan 0.000 0.545 331 E N 0.238 120.536 120.200 0.164 0.000 2.077 331 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 331 E C 2.701 179.353 176.600 0.087 0.000 0.989 331 E CA 1.079 57.542 56.400 0.105 0.000 0.800 331 E CB -0.216 29.521 29.700 0.063 0.000 0.746 331 E HN 0.317 nan 8.360 nan 0.000 0.452 332 V N 0.857 120.803 119.914 0.053 0.000 2.380 332 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 332 V C 1.641 177.649 176.094 -0.143 0.000 1.063 332 V CA 1.580 63.830 62.300 -0.084 0.000 1.055 332 V CB -0.588 31.117 31.823 -0.196 0.000 0.657 332 V HN 0.201 nan 8.190 nan 0.000 0.455 333 F N 0.220 120.215 119.950 0.075 0.000 2.716 333 F HA 0.092 4.618 4.527 -0.001 0.000 0.301 333 F C 1.867 177.692 175.800 0.042 0.000 1.210 333 F CA 0.364 58.402 58.000 0.065 0.000 1.422 333 F CB -0.480 38.568 39.000 0.081 0.000 1.073 333 F HN 0.266 nan 8.300 nan 0.000 0.525 334 E N -0.736 119.549 120.200 0.141 0.000 2.452 334 E HA 0.094 4.444 4.350 -0.000 0.000 0.197 334 E C 2.190 178.822 176.600 0.054 0.000 1.022 334 E CA 0.465 56.920 56.400 0.093 0.000 0.890 334 E CB 0.283 30.024 29.700 0.068 0.000 0.918 334 E HN 0.462 nan 8.360 nan 0.000 0.496 335 G N 0.570 109.392 108.800 0.037 0.000 2.833 335 G HA2 0.186 4.146 3.960 -0.000 0.000 0.214 335 G HA3 0.186 4.146 3.960 -0.000 0.000 0.214 335 G C 0.340 175.249 174.900 0.015 0.000 1.075 335 G CA -0.020 45.089 45.100 0.016 0.000 0.799 335 G HN -0.035 nan 8.290 nan 0.000 0.541 336 V N 0.748 120.677 119.914 0.025 0.000 2.914 336 V HA 0.344 4.464 4.120 -0.000 0.000 0.314 336 V C -0.019 176.166 176.094 0.150 0.000 1.084 336 V CA -0.680 61.643 62.300 0.039 0.000 0.963 336 V CB 2.223 34.028 31.823 -0.031 0.000 1.025 336 V HN 0.061 nan 8.190 nan 0.000 0.432 337 D N 0.961 121.469 120.400 0.180 0.000 2.183 337 D HA 0.058 4.698 4.640 -0.000 0.000 0.205 337 D C 0.394 176.970 176.300 0.459 0.000 0.962 337 D CA 1.452 55.648 54.000 0.327 0.000 0.849 337 D CB 0.937 41.999 40.800 0.436 0.000 0.978 337 D HN 0.487 nan 8.370 nan 0.000 0.488 338 V N -2.024 118.063 119.914 0.288 0.000 3.147 338 V HA 0.510 4.630 4.120 -0.000 0.000 0.306 338 V C -0.985 175.171 176.094 0.104 0.000 1.209 338 V CA -1.155 61.292 62.300 0.246 0.000 1.023 338 V CB 2.397 34.237 31.823 0.029 0.000 1.059 338 V HN -0.152 nan 8.190 nan 0.000 0.435 339 L N 2.535 123.800 121.223 0.069 0.000 2.334 339 L HA 0.687 5.027 4.340 -0.000 0.000 0.275 339 L C -0.867 175.930 176.870 -0.121 0.000 1.036 339 L CA -0.745 54.042 54.840 -0.088 0.000 0.807 339 L CB 1.753 43.706 42.059 -0.178 0.000 1.231 339 L HN 0.651 nan 8.230 nan 0.000 0.438 340 L N 2.080 123.229 121.223 -0.123 0.000 2.349 340 L HA 0.665 5.005 4.340 -0.000 0.000 0.278 340 L C -0.335 176.427 176.870 -0.180 0.000 0.996 340 L CA 0.472 55.231 54.840 -0.135 0.000 0.825 340 L CB 1.710 43.711 42.059 -0.097 0.000 1.243 340 L HN 0.665 nan 8.230 nan 0.000 0.412 341 T N 2.571 117.004 114.554 -0.201 0.000 2.590 341 T HA 0.540 4.890 4.350 -0.000 0.000 0.282 341 T C -1.042 173.510 174.700 -0.247 0.000 0.989 341 T CA -0.338 61.616 62.100 -0.243 0.000 1.091 341 T CB 0.416 69.267 68.868 -0.027 0.000 1.460 341 T HN 0.290 nan 8.240 nan 0.000 0.499 342 Y N 0.729 121.005 120.300 -0.040 0.000 2.301 342 Y HA 0.389 4.939 4.550 -0.000 0.000 0.328 342 Y C 1.814 177.701 175.900 -0.022 0.000 1.242 342 Y CA -0.198 57.838 58.100 -0.106 0.000 1.323 342 Y CB 1.068 39.328 38.460 -0.334 0.000 1.266 342 Y HN 0.484 nan 8.280 nan 0.000 0.527 343 S N 0.523 116.300 115.700 0.128 0.000 2.483 343 S HA 0.459 4.929 4.470 -0.000 0.000 0.221 343 S C 0.217 174.853 174.600 0.060 0.000 1.030 343 S CA 0.421 58.667 58.200 0.077 0.000 0.925 343 S CB 0.252 63.465 63.200 0.021 0.000 0.795 343 S HN 0.727 nan 8.310 nan 0.000 0.511 344 A N 0.699 123.544 122.820 0.043 0.000 2.599 344 A HA 0.649 4.969 4.320 -0.000 0.000 0.290 344 A C -2.719 174.854 177.584 -0.017 0.000 1.101 344 A CA -1.042 51.018 52.037 0.039 0.000 0.674 344 A CB 0.023 18.983 19.000 -0.068 0.000 1.277 344 A HN -0.072 nan 8.150 nan 0.000 0.419 345 P HA 0.185 nan 4.420 nan 0.000 0.230 345 P C 0.778 178.050 177.300 -0.046 0.000 1.158 345 P CA 1.856 64.956 63.100 -0.001 0.000 0.769 345 P CB 0.248 32.071 31.700 0.206 0.000 0.807 346 G N -2.089 106.755 108.800 0.073 0.000 2.455 346 G HA2 0.169 4.129 3.960 -0.000 0.000 0.223 346 G HA3 0.169 4.129 3.960 -0.000 0.000 0.223 346 G C -0.956 174.021 174.900 0.128 0.000 1.226 346 G CA -0.138 44.993 45.100 0.050 0.000 0.948 346 G HN 0.020 nan 8.290 nan 0.000 0.478 347 T N -0.348 114.217 114.554 0.018 0.000 2.868 347 T HA 0.630 4.980 4.350 -0.000 0.000 0.292 347 T C 0.919 175.456 174.700 -0.270 0.000 1.028 347 T CA 0.699 62.758 62.100 -0.069 0.000 1.059 347 T CB 1.170 69.973 68.868 -0.108 0.000 0.991 347 T HN 2.040 nan 8.240 nan 0.000 0.531 348 A N 3.006 125.486 122.820 -0.568 0.000 2.565 348 A HA 0.417 4.737 4.320 -0.000 0.000 0.237 348 A C -2.127 175.297 177.584 -0.268 0.000 1.053 348 A CA -0.976 50.484 52.037 -0.962 0.000 0.755 348 A CB -0.991 17.640 19.000 -0.616 0.000 0.980 348 A HN 0.703 nan 8.150 nan 0.000 0.506 349 P HA 0.326 nan 4.420 nan 0.000 0.272 349 P C -0.168 177.064 177.300 -0.113 0.000 1.223 349 P CA 0.093 63.148 63.100 -0.076 0.000 0.784 349 P CB 0.700 32.367 31.700 -0.057 0.000 0.923 350 A N 2.616 125.285 122.820 -0.252 0.000 2.462 350 A HA 0.060 4.380 4.320 -0.000 0.000 0.243 350 A C 1.435 178.868 177.584 -0.252 0.000 1.076 350 A CA 0.030 51.754 52.037 -0.521 0.000 0.773 350 A CB 0.027 18.796 19.000 -0.385 0.000 1.010 350 A HN 0.438 nan 8.150 nan 0.000 0.493 351 K N 2.015 122.280 120.400 -0.225 0.000 2.113 351 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 351 K C 2.134 178.689 176.600 -0.075 0.000 1.047 351 K CA 1.635 57.862 56.287 -0.100 0.000 0.928 351 K CB -0.729 31.731 32.500 -0.066 0.000 0.716 351 K HN 0.836 nan 8.250 nan 0.000 0.446 352 A N 1.264 124.028 122.820 -0.094 0.000 2.084 352 A HA -0.130 4.190 4.320 -0.000 0.000 0.221 352 A C 2.097 179.654 177.584 -0.045 0.000 1.161 352 A CA 1.158 53.158 52.037 -0.061 0.000 0.653 352 A CB -0.569 18.391 19.000 -0.066 0.000 0.802 352 A HN 0.232 nan 8.150 nan 0.000 0.457 353 L N -1.696 119.495 121.223 -0.053 0.000 2.552 353 L HA 0.124 4.463 4.340 -0.000 0.000 0.227 353 L C 1.644 178.508 176.870 -0.010 0.000 1.146 353 L CA 0.339 55.162 54.840 -0.028 0.000 0.858 353 L CB -0.520 41.522 42.059 -0.029 0.000 0.969 353 L HN 0.533 nan 8.230 nan 0.000 0.451 354 A N 0.488 123.301 122.820 -0.011 0.000 2.783 354 A HA -0.221 4.099 4.320 -0.000 0.000 0.292 354 A C 0.592 178.187 177.584 0.018 0.000 1.495 354 A CA 1.002 53.041 52.037 0.004 0.000 0.787 354 A CB -1.785 17.220 19.000 0.008 0.000 1.017 354 A HN 0.427 nan 8.150 nan 0.000 0.516 355 S N -1.431 114.282 115.700 0.021 0.000 2.547 355 S HA 0.659 5.128 4.470 -0.000 0.000 0.281 355 S C 1.027 175.667 174.600 0.067 0.000 1.118 355 S CA 0.635 58.861 58.200 0.043 0.000 0.947 355 S CB 1.553 64.781 63.200 0.045 0.000 1.053 355 S HN 1.394 nan 8.310 nan 0.000 0.482 356 T N 0.781 115.391 114.554 0.093 0.000 3.100 356 T HA 0.519 4.869 4.350 -0.000 0.000 0.253 356 T C 1.078 175.932 174.700 0.258 0.000 1.118 356 T CA 0.413 62.601 62.100 0.147 0.000 1.058 356 T CB -0.565 68.373 68.868 0.116 0.000 0.953 356 T HN 1.793 nan 8.240 nan 0.000 0.515 357 G N 0.958 109.880 108.800 0.204 0.000 2.640 357 G HA2 0.108 4.068 3.960 -0.000 0.000 0.686 357 G HA3 0.108 4.068 3.960 -0.000 0.000 0.686 357 G C -1.487 173.511 174.900 0.162 0.000 1.229 357 G CA -0.675 44.582 45.100 0.262 0.000 0.796 357 G HN 0.360 nan 8.290 nan 0.000 0.654 358 D N 1.790 122.283 120.400 0.154 0.000 2.317 358 D HA 0.447 5.086 4.640 -0.000 0.000 0.252 358 D C -0.805 175.557 176.300 0.103 0.000 1.174 358 D CA -1.945 52.117 54.000 0.103 0.000 0.866 358 D CB 1.468 42.328 40.800 0.101 0.000 1.127 358 D HN 0.150 nan 8.370 nan 0.000 0.467 359 P HA 0.044 nan 4.420 nan 0.000 0.253 359 P C 0.807 178.126 177.300 0.031 0.000 1.459 359 P CA -0.041 63.081 63.100 0.037 0.000 0.908 359 P CB -0.094 31.596 31.700 -0.017 0.000 1.470 360 R N -0.458 120.055 120.500 0.022 0.000 2.170 360 R HA -0.148 4.191 4.340 -0.000 0.000 0.242 360 R C 0.694 177.019 176.300 0.042 0.000 1.145 360 R CA 1.421 57.546 56.100 0.041 0.000 0.984 360 R CB -1.427 28.858 30.300 -0.025 0.000 0.869 360 R HN 0.202 nan 8.270 nan 0.000 0.455 361 Y N 0.430 120.859 120.300 0.215 0.000 2.532 361 Y HA 0.286 4.837 4.550 0.000 0.000 0.283 361 Y C 1.079 177.172 175.900 0.322 0.000 1.181 361 Y CA -0.309 57.937 58.100 0.242 0.000 1.256 361 Y CB 0.225 38.798 38.460 0.189 0.000 1.112 361 Y HN 0.178 nan 8.280 nan 0.000 0.521 362 N N -0.354 118.540 118.700 0.323 0.000 2.486 362 N HA -0.010 4.730 4.740 -0.000 0.000 0.242 362 N C 1.952 177.572 175.510 0.183 0.000 1.083 362 N CA 0.270 53.513 53.050 0.321 0.000 0.844 362 N CB -0.067 38.532 38.487 0.186 0.000 1.527 362 N HN 0.340 nan 8.380 nan 0.000 0.462 363 R N 1.670 122.144 120.500 -0.044 0.000 2.119 363 R HA -0.124 4.216 4.340 -0.000 0.000 0.246 363 R C 2.073 178.265 176.300 -0.180 0.000 1.146 363 R CA 1.365 57.252 56.100 -0.356 0.000 0.962 363 R CB -0.960 28.705 30.300 -1.059 0.000 0.863 363 R HN 0.097 nan 8.270 nan 0.000 0.442 364 L N 0.885 122.018 121.223 -0.150 0.000 1.971 364 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 364 L C 2.106 178.830 176.870 -0.244 0.000 1.072 364 L CA 1.920 56.606 54.840 -0.257 0.000 0.758 364 L CB -0.730 41.028 42.059 -0.502 0.000 0.889 364 L HN 0.342 nan 8.230 nan 0.000 0.433 365 W N -0.749 120.659 121.300 0.181 0.000 2.392 365 W HA -0.136 4.524 4.660 -0.000 0.000 0.279 365 W C 2.384 178.980 176.519 0.129 0.000 1.225 365 W CA 1.035 58.477 57.345 0.161 0.000 1.233 365 W CB -1.192 28.368 29.460 0.166 0.000 1.122 365 W HN 0.091 nan 8.180 nan 0.000 0.561 366 T N 1.085 115.799 114.554 0.267 0.000 2.857 366 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 366 T C 1.747 176.482 174.700 0.059 0.000 1.048 366 T CA 1.232 63.446 62.100 0.189 0.000 1.139 366 T CB -0.441 68.538 68.868 0.185 0.000 0.874 366 T HN 0.005 nan 8.240 nan 0.000 0.455 367 L N 0.820 122.074 121.223 0.051 0.000 2.109 367 L HA 0.120 4.460 4.340 -0.000 0.000 0.207 367 L C 2.028 178.839 176.870 -0.098 0.000 1.086 367 L CA 1.628 56.420 54.840 -0.081 0.000 0.760 367 L CB -0.666 41.373 42.059 -0.034 0.000 0.910 367 L HN 0.126 nan 8.230 nan 0.000 0.437 368 M N -0.767 118.844 119.600 0.018 0.000 2.254 368 M HA 0.141 4.621 4.480 -0.000 0.000 0.265 368 M C 1.892 178.252 176.300 0.100 0.000 1.066 368 M CA 1.197 56.538 55.300 0.068 0.000 1.123 368 M CB -1.458 31.268 32.600 0.211 0.000 1.388 368 M HN 0.506 nan 8.290 nan 0.000 0.425 369 G N 0.457 109.368 108.800 0.185 0.000 2.217 369 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.246 369 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.246 369 G C 0.127 175.344 174.900 0.529 0.000 0.990 369 G CA 0.287 45.600 45.100 0.355 0.000 0.627 369 G HN 0.480 nan 8.290 nan 0.000 0.522 370 N N 2.638 121.603 118.700 0.442 0.000 2.374 370 N HA 0.407 5.147 4.740 -0.000 0.000 0.241 370 N C -2.119 173.517 175.510 0.210 0.000 1.262 370 N CA 0.040 53.286 53.050 0.325 0.000 0.880 370 N CB 0.649 39.309 38.487 0.288 0.000 1.105 370 N HN 0.277 nan 8.380 nan 0.000 0.438 371 P HA 0.197 nan 4.420 nan 0.000 0.281 371 P C -0.807 176.500 177.300 0.011 0.000 1.252 371 P CA -0.299 62.829 63.100 0.047 0.000 0.778 371 P CB 0.524 32.229 31.700 0.008 0.000 0.895 372 C N 3.107 122.410 119.300 0.005 0.000 2.561 372 C HA 0.689 5.149 4.460 -0.000 0.000 0.319 372 C C 0.026 174.981 174.990 -0.059 0.000 1.198 372 C CA -0.503 58.485 59.018 -0.049 0.000 1.665 372 C CB 1.726 29.444 27.740 -0.037 0.000 2.258 372 C HN 0.358 nan 8.230 nan 0.000 0.493 373 V N 2.394 122.263 119.914 -0.074 0.000 2.623 373 V HA 0.389 4.509 4.120 -0.000 0.000 0.304 373 V C -0.461 175.592 176.094 -0.069 0.000 1.054 373 V CA -0.439 61.817 62.300 -0.073 0.000 0.882 373 V CB 1.828 33.618 31.823 -0.054 0.000 1.002 373 V HN 0.892 nan 8.190 nan 0.000 0.424 374 N N 3.039 121.696 118.700 -0.072 0.000 2.499 374 N HA 0.514 5.254 4.740 -0.000 0.000 0.281 374 N C -1.030 174.456 175.510 -0.039 0.000 1.098 374 N CA -0.145 52.875 53.050 -0.050 0.000 0.979 374 N CB 1.533 39.995 38.487 -0.041 0.000 1.121 374 N HN 0.449 nan 8.380 nan 0.000 0.466 375 V N 5.216 125.113 119.914 -0.029 0.000 2.376 375 V HA 0.401 4.521 4.120 -0.000 0.000 0.287 375 V C -2.208 173.874 176.094 -0.020 0.000 1.015 375 V CA -1.742 60.544 62.300 -0.024 0.000 0.834 375 V CB 1.422 33.233 31.823 -0.020 0.000 1.001 375 V HN 0.762 nan 8.190 nan 0.000 0.428 376 P HA 0.111 nan 4.420 nan 0.000 0.264 376 P C 0.437 177.721 177.300 -0.027 0.000 1.193 376 P CA 0.462 63.551 63.100 -0.018 0.000 0.763 376 P CB 1.153 32.844 31.700 -0.014 0.000 0.810 377 V N 3.695 123.591 119.914 -0.029 0.000 2.735 377 V HA 0.185 4.305 4.120 -0.000 0.000 0.234 377 V C 0.830 176.902 176.094 -0.037 0.000 1.121 377 V CA 1.039 63.320 62.300 -0.032 0.000 1.160 377 V CB -0.458 31.349 31.823 -0.026 0.000 0.908 377 V HN 0.396 nan 8.190 nan 0.000 0.495 378 L N -1.294 119.905 121.223 -0.041 0.000 2.630 378 L HA 0.712 5.052 4.340 -0.000 0.000 0.249 378 L C -1.503 175.326 176.870 -0.069 0.000 1.130 378 L CA -0.804 54.007 54.840 -0.049 0.000 0.987 378 L CB 1.375 43.412 42.059 -0.038 0.000 1.575 378 L HN 0.106 nan 8.230 nan 0.000 0.386 379 K N -0.028 120.329 120.400 -0.071 0.000 2.426 379 K HA 0.805 5.125 4.320 -0.000 0.000 0.251 379 K C -1.532 175.026 176.600 -0.070 0.000 0.941 379 K CA -0.749 55.483 56.287 -0.092 0.000 0.808 379 K CB 3.015 35.446 32.500 -0.115 0.000 1.265 379 K HN 0.403 nan 8.250 nan 0.000 0.432 380 V N 1.445 121.313 119.914 -0.077 0.000 2.482 380 V HA 0.439 4.559 4.120 -0.000 0.000 0.295 380 V C 0.668 176.717 176.094 -0.076 0.000 1.026 380 V CA -0.348 61.915 62.300 -0.062 0.000 0.856 380 V CB 1.124 32.917 31.823 -0.051 0.000 1.001 380 V HN 1.051 nan 8.190 nan 0.000 0.424 381 G N 3.452 112.216 108.800 -0.060 0.000 2.179 381 G HA2 0.040 4.000 3.960 -0.000 0.000 0.257 381 G HA3 0.040 4.000 3.960 -0.000 0.000 0.257 381 G C 1.201 176.050 174.900 -0.084 0.000 1.010 381 G CA 0.810 45.873 45.100 -0.062 0.000 0.736 381 G HN 2.327 nan 8.290 nan 0.000 0.513 382 G N -2.271 106.482 108.800 -0.079 0.000 2.199 382 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.254 382 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.254 382 G C 0.319 175.141 174.900 -0.131 0.000 0.982 382 G CA 0.485 45.539 45.100 -0.077 0.000 0.632 382 G HN 1.242 nan 8.290 nan 0.000 0.529 383 L N 1.585 122.705 121.223 -0.173 0.000 2.281 383 L HA 0.422 4.762 4.340 -0.000 0.000 0.285 383 L C -1.856 174.898 176.870 -0.193 0.000 1.074 383 L CA -1.892 52.818 54.840 -0.216 0.000 0.817 383 L CB 0.614 42.514 42.059 -0.265 0.000 1.168 383 L HN -0.098 nan 8.230 nan 0.000 0.434 384 P HA 0.179 nan 4.420 nan 0.000 0.267 384 P C -0.566 176.699 177.300 -0.058 0.000 1.200 384 P CA 0.108 63.087 63.100 -0.202 0.000 0.772 384 P CB 0.800 32.331 31.700 -0.283 0.000 0.855 385 I N 1.574 122.121 120.570 -0.038 0.000 2.619 385 I HA 0.545 4.715 4.170 -0.000 0.000 0.292 385 I C 0.550 176.670 176.117 0.006 0.000 1.100 385 I CA -0.185 61.121 61.300 0.010 0.000 1.043 385 I CB 1.736 39.735 38.000 -0.001 0.000 1.239 385 I HN 0.442 nan 8.210 nan 0.000 0.420 386 G N 4.435 113.250 108.800 0.025 0.000 2.818 386 G HA2 0.808 4.767 3.960 -0.000 0.000 0.286 386 G HA3 0.808 4.767 3.960 -0.000 0.000 0.286 386 G C -1.073 173.833 174.900 0.009 0.000 1.364 386 G CA -0.543 44.562 45.100 0.008 0.000 0.938 386 G HN 0.495 nan 8.290 nan 0.000 0.490 387 V N -2.514 117.392 119.914 -0.012 0.000 3.001 387 V HA 0.802 4.922 4.120 -0.000 0.000 0.314 387 V C -0.638 175.431 176.094 -0.042 0.000 1.099 387 V CA -1.082 61.198 62.300 -0.032 0.000 0.989 387 V CB 1.610 33.399 31.823 -0.058 0.000 1.040 387 V HN 0.878 nan 8.190 nan 0.000 0.434 388 Q N 1.307 121.068 119.800 -0.065 0.000 2.322 388 Q HA 0.693 5.033 4.340 -0.000 0.000 0.265 388 Q C -1.678 174.243 176.000 -0.132 0.000 0.985 388 Q CA -0.630 55.120 55.803 -0.090 0.000 0.849 388 Q CB 2.106 30.793 28.738 -0.085 0.000 1.274 388 Q HN 0.795 nan 8.270 nan 0.000 0.449 389 V N 6.503 126.349 119.914 -0.113 0.000 2.350 389 V HA 0.426 4.545 4.120 -0.000 0.000 0.276 389 V C -0.212 175.800 176.094 -0.136 0.000 1.028 389 V CA -0.412 61.823 62.300 -0.108 0.000 0.860 389 V CB 0.998 32.782 31.823 -0.064 0.000 0.990 389 V HN 0.717 nan 8.190 nan 0.000 0.453 390 I N 4.343 124.820 120.570 -0.156 0.000 2.436 390 I HA 0.773 4.943 4.170 -0.000 0.000 0.289 390 I C 0.334 176.477 176.117 0.043 0.000 1.010 390 I CA -0.419 60.796 61.300 -0.141 0.000 1.098 390 I CB 1.849 39.609 38.000 -0.400 0.000 1.266 390 I HN 0.653 nan 8.210 nan 0.000 0.434 391 A N 6.444 129.247 122.820 -0.028 0.000 2.284 391 A HA 0.777 5.097 4.320 -0.000 0.000 0.317 391 A C -0.053 177.211 177.584 -0.533 0.000 1.120 391 A CA -0.783 51.191 52.037 -0.104 0.000 0.900 391 A CB 0.876 19.857 19.000 -0.031 0.000 1.319 391 A HN 0.741 nan 8.150 nan 0.000 0.494 392 R N -0.811 119.170 120.500 -0.864 0.000 2.679 392 R HA 0.233 4.573 4.340 -0.000 0.000 0.269 392 R C -0.600 175.545 176.300 -0.258 0.000 1.076 392 R CA -0.322 55.241 56.100 -0.895 0.000 1.160 392 R CB 0.210 30.130 30.300 -0.634 0.000 1.054 392 R HN 0.550 nan 8.270 nan 0.000 0.507 393 F N 1.206 121.031 119.950 -0.208 0.000 2.612 393 F HA 0.078 4.605 4.527 0.001 0.000 0.389 393 F C 1.348 177.119 175.800 -0.048 0.000 1.055 393 F CA 1.912 59.880 58.000 -0.054 0.000 1.232 393 F CB 0.179 39.186 39.000 0.013 0.000 1.044 393 F HN 0.853 nan 8.300 nan 0.000 0.560 394 G N 3.884 112.339 108.800 -0.575 0.000 2.195 394 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.246 394 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.246 394 G C 0.401 175.168 174.900 -0.221 0.000 0.984 394 G CA 0.193 45.049 45.100 -0.407 0.000 0.633 394 G HN 0.663 nan 8.290 nan 0.000 0.525 395 N N 1.178 119.780 118.700 -0.164 0.000 2.714 395 N HA 0.425 5.165 4.740 -0.000 0.000 0.298 395 N C 0.863 176.357 175.510 -0.028 0.000 1.298 395 N CA 0.185 53.185 53.050 -0.083 0.000 1.007 395 N CB 0.386 38.846 38.487 -0.044 0.000 1.318 395 N HN 0.338 nan 8.380 nan 0.000 0.516 396 D N 0.231 120.609 120.400 -0.037 0.000 2.144 396 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 396 D C 1.889 178.277 176.300 0.146 0.000 0.984 396 D CA 1.104 55.156 54.000 0.087 0.000 0.834 396 D CB 0.038 40.986 40.800 0.246 0.000 0.955 396 D HN 0.376 nan 8.370 nan 0.000 0.465 397 A N 0.423 123.270 122.820 0.046 0.000 1.883 397 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 397 A C 2.072 179.735 177.584 0.132 0.000 1.186 397 A CA 2.028 54.112 52.037 0.078 0.000 0.624 397 A CB -0.998 17.959 19.000 -0.071 0.000 0.822 397 A HN 0.358 nan 8.150 nan 0.000 0.444 398 H N -0.025 119.043 119.070 -0.003 0.000 2.421 398 H HA 0.109 4.665 4.556 -0.000 0.000 0.298 398 H C 2.066 177.413 175.328 0.031 0.000 1.087 398 H CA 1.462 57.513 56.048 0.004 0.000 1.330 398 H CB -0.286 29.460 29.762 -0.028 0.000 1.388 398 H HN 0.383 nan 8.280 nan 0.000 0.526 399 A N 0.245 123.035 122.820 -0.049 0.000 1.898 399 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 399 A C 2.487 180.052 177.584 -0.033 0.000 1.181 399 A CA 1.346 53.327 52.037 -0.095 0.000 0.620 399 A CB -0.706 18.275 19.000 -0.033 0.000 0.819 399 A HN 0.455 nan 8.150 nan 0.000 0.442 400 L N -0.909 120.345 121.223 0.052 0.000 2.109 400 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 400 L C 3.077 180.057 176.870 0.183 0.000 1.086 400 L CA 0.874 55.778 54.840 0.106 0.000 0.760 400 L CB -0.506 41.642 42.059 0.149 0.000 0.910 400 L HN 0.414 nan 8.230 nan 0.000 0.437 401 A N -0.288 122.630 122.820 0.165 0.000 1.877 401 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 401 A C 2.372 180.051 177.584 0.159 0.000 1.186 401 A CA 2.427 54.578 52.037 0.189 0.000 0.620 401 A CB -0.969 18.110 19.000 0.130 0.000 0.822 401 A HN 0.358 nan 8.150 nan 0.000 0.443 402 T N 0.153 114.709 114.554 0.003 0.000 2.821 402 T HA 0.038 4.388 4.350 -0.000 0.000 0.267 402 T C 2.176 176.990 174.700 0.189 0.000 1.046 402 T CA 1.384 63.499 62.100 0.024 0.000 1.139 402 T CB -0.380 68.363 68.868 -0.208 0.000 0.871 402 T HN 0.589 nan 8.240 nan 0.000 0.454 403 A N 1.000 123.894 122.820 0.124 0.000 1.902 403 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 403 A C 2.094 179.803 177.584 0.208 0.000 1.181 403 A CA 1.219 53.327 52.037 0.119 0.000 0.623 403 A CB -0.953 18.078 19.000 0.053 0.000 0.818 403 A HN 0.646 nan 8.150 nan 0.000 0.443 404 W N 0.178 121.505 121.300 0.046 0.000 2.363 404 W HA -0.197 4.463 4.660 -0.001 0.000 0.296 404 W C 1.896 178.448 176.519 0.055 0.000 1.212 404 W CA 1.323 58.693 57.345 0.041 0.000 1.260 404 W CB -1.014 28.478 29.460 0.053 0.000 1.131 404 W HN 0.440 nan 8.180 nan 0.000 0.530 405 F N 0.768 120.839 119.950 0.201 0.000 2.075 405 F HA -0.208 4.319 4.527 -0.000 0.000 0.297 405 F C 2.367 178.211 175.800 0.073 0.000 1.113 405 F CA 2.250 60.289 58.000 0.065 0.000 1.218 405 F CB -1.045 37.959 39.000 0.006 0.000 0.984 405 F HN -0.181 nan 8.300 nan 0.000 0.472 406 L N 0.284 121.484 121.223 -0.038 0.000 2.131 406 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 406 L C 2.302 179.077 176.870 -0.157 0.000 1.092 406 L CA 1.735 56.469 54.840 -0.177 0.000 0.759 406 L CB -0.489 41.596 42.059 0.043 0.000 0.903 406 L HN 0.306 nan 8.230 nan 0.000 0.435 407 E N -0.278 119.903 120.200 -0.032 0.000 2.051 407 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 407 E C 1.723 178.301 176.600 -0.038 0.000 0.991 407 E CA 1.463 57.856 56.400 -0.011 0.000 0.799 407 E CB -0.067 29.657 29.700 0.041 0.000 0.748 407 E HN 0.555 nan 8.360 nan 0.000 0.449 408 D N 0.704 121.088 120.400 -0.027 0.000 2.097 408 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 408 D C 1.969 178.171 176.300 -0.162 0.000 0.989 408 D CA 1.272 55.238 54.000 -0.057 0.000 0.827 408 D CB -0.309 40.465 40.800 -0.044 0.000 0.966 408 D HN 0.144 nan 8.370 nan 0.000 0.456 409 A N 1.055 123.671 122.820 -0.339 0.000 1.917 409 A HA -0.164 4.155 4.320 -0.000 0.000 0.219 409 A C 2.415 179.893 177.584 -0.177 0.000 1.182 409 A CA 1.103 52.938 52.037 -0.336 0.000 0.633 409 A CB -0.876 17.788 19.000 -0.560 0.000 0.819 409 A HN 0.221 nan 8.150 nan 0.000 0.448 410 L N -1.182 119.954 121.223 -0.145 0.000 2.201 410 L HA -0.096 4.243 4.340 -0.000 0.000 0.212 410 L C 2.647 179.480 176.870 -0.062 0.000 1.105 410 L CA 0.776 55.564 54.840 -0.086 0.000 0.775 410 L CB -0.304 41.714 42.059 -0.069 0.000 0.913 410 L HN 0.434 nan 8.230 nan 0.000 0.440 411 A N -1.238 121.546 122.820 -0.060 0.000 2.278 411 A HA 0.008 4.328 4.320 -0.000 0.000 0.212 411 A C 0.466 178.027 177.584 -0.038 0.000 1.213 411 A CA -0.105 51.910 52.037 -0.036 0.000 0.840 411 A CB -0.054 18.934 19.000 -0.020 0.000 0.866 411 A HN 0.233 nan 8.150 nan 0.000 0.489 412 K N -1.031 119.336 120.400 -0.056 0.000 3.974 412 K HA -0.180 4.140 4.320 -0.000 0.000 0.280 412 K C 0.106 176.682 176.600 -0.040 0.000 0.949 412 K CA 1.228 57.485 56.287 -0.049 0.000 0.817 412 K CB -2.561 29.919 32.500 -0.033 0.000 1.535 412 K HN 1.390 nan 8.250 nan 0.000 0.444 413 S N 0.000 115.670 115.700 -0.050 0.000 2.498 413 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 413 S CA 0.000 nan 58.200 nan 0.000 1.107 413 S CB 0.000 nan 63.200 nan 0.000 0.593 413 S HN 0.000 nan 8.310 nan 0.000 0.517