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 1ocl_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 QTGGSVIRPA 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 AK 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 0.000 176.293 176.300 -0.012 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 I N 1.309 121.871 120.570 -0.015 0.000 2.371 2 I HA 0.258 4.428 4.170 0.000 0.000 0.290 2 I C 0.373 176.475 176.117 -0.025 0.000 1.028 2 I CA -0.193 61.096 61.300 -0.018 0.000 1.345 2 I CB 1.564 39.553 38.000 -0.018 0.000 1.407 2 I HN 0.573 nan 8.210 nan 0.000 0.501 3 S N 5.950 121.631 115.700 -0.031 0.000 2.452 3 S HA 0.172 4.642 4.470 0.000 0.000 0.284 3 S C 0.697 175.271 174.600 -0.044 0.000 1.171 3 S CA -0.779 57.393 58.200 -0.047 0.000 1.064 3 S CB 0.895 64.063 63.200 -0.055 0.000 0.967 3 S HN 0.569 nan 8.310 nan 0.000 0.484 4 L N 6.762 127.954 121.223 -0.051 0.000 2.027 4 L HA 0.160 4.500 4.340 0.000 0.000 0.206 4 L C 2.379 179.224 176.870 -0.042 0.000 1.074 4 L CA 2.578 57.392 54.840 -0.043 0.000 0.745 4 L CB -1.436 40.594 42.059 -0.048 0.000 0.898 4 L HN 0.814 nan 8.230 nan 0.000 0.433 5 A N -0.691 122.093 122.820 -0.061 0.000 1.933 5 A HA -0.275 4.045 4.320 0.000 0.000 0.218 5 A C 2.068 179.638 177.584 -0.024 0.000 1.175 5 A CA 1.875 53.883 52.037 -0.048 0.000 0.628 5 A CB -1.038 17.912 19.000 -0.083 0.000 0.814 5 A HN 0.624 nan 8.150 nan 0.000 0.444 6 D N -0.218 120.166 120.400 -0.028 0.000 2.097 6 D HA -0.107 4.533 4.640 0.000 0.000 0.197 6 D C 1.856 178.152 176.300 -0.006 0.000 0.984 6 D CA 1.250 55.244 54.000 -0.011 0.000 0.826 6 D CB -0.219 40.573 40.800 -0.014 0.000 0.973 6 D HN 0.401 nan 8.370 nan 0.000 0.460 7 L N 0.090 121.306 121.223 -0.011 0.000 2.042 7 L HA -0.199 4.141 4.340 0.000 0.000 0.210 7 L C 2.758 179.626 176.870 -0.003 0.000 1.076 7 L CA 1.223 56.058 54.840 -0.007 0.000 0.749 7 L CB -0.576 41.477 42.059 -0.011 0.000 0.893 7 L HN 0.213 nan 8.230 nan 0.000 0.432 8 Q N -0.168 119.630 119.800 -0.005 0.000 2.077 8 Q HA -0.250 4.090 4.340 0.000 0.000 0.206 8 Q C 2.439 178.444 176.000 0.008 0.000 0.989 8 Q CA 1.795 57.598 55.803 0.001 0.000 0.853 8 Q CB -0.017 28.720 28.738 -0.000 0.000 0.907 8 Q HN 0.468 nan 8.270 nan 0.000 0.418 9 R N -0.320 120.187 120.500 0.011 0.000 2.073 9 R HA -0.036 4.304 4.340 0.000 0.000 0.229 9 R C 2.292 178.601 176.300 0.014 0.000 1.120 9 R CA 0.895 57.005 56.100 0.017 0.000 0.967 9 R CB -0.066 30.248 30.300 0.024 0.000 0.862 9 R HN 0.166 nan 8.270 nan 0.000 0.436 10 R N 0.268 120.774 120.500 0.011 0.000 2.115 10 R HA -0.013 4.328 4.340 0.000 0.000 0.230 10 R C 2.178 178.484 176.300 0.009 0.000 1.111 10 R CA 1.007 57.112 56.100 0.009 0.000 0.976 10 R CB -0.135 30.169 30.300 0.007 0.000 0.870 10 R HN 0.252 nan 8.270 nan 0.000 0.445 11 I N 0.323 120.897 120.570 0.007 0.000 2.333 11 I HA -0.176 3.994 4.170 0.000 0.000 0.246 11 I C 2.362 178.485 176.117 0.009 0.000 1.106 11 I CA 0.937 62.242 61.300 0.007 0.000 1.411 11 I CB -0.110 37.893 38.000 0.006 0.000 1.082 11 I HN 0.062 nan 8.210 nan 0.000 0.420 12 E N 1.116 121.322 120.200 0.011 0.000 2.153 12 E HA -0.199 4.151 4.350 0.000 0.000 0.194 12 E C 1.944 178.552 176.600 0.012 0.000 0.988 12 E CA 1.888 58.295 56.400 0.012 0.000 0.811 12 E CB -0.187 29.522 29.700 0.015 0.000 0.746 12 E HN 0.498 nan 8.360 nan 0.000 0.466 13 T N -3.927 110.634 114.554 0.012 0.000 3.129 13 T HA 0.281 4.631 4.350 0.000 0.000 0.251 13 T C 1.506 176.212 174.700 0.010 0.000 1.117 13 T CA 0.482 62.589 62.100 0.012 0.000 1.034 13 T CB 0.150 69.025 68.868 0.013 0.000 0.968 13 T HN 0.310 nan 8.240 nan 0.000 0.526 14 G N 1.554 110.360 108.800 0.009 0.000 2.176 14 G HA2 -0.321 3.639 3.960 0.000 0.000 0.253 14 G HA3 -0.321 3.639 3.960 0.000 0.000 0.253 14 G C 0.567 175.472 174.900 0.008 0.000 0.979 14 G CA 0.543 45.648 45.100 0.008 0.000 0.641 14 G HN 0.627 nan 8.290 nan 0.000 0.530 15 E N -0.909 119.296 120.200 0.008 0.000 2.150 15 E HA 0.152 4.502 4.350 0.000 0.000 0.193 15 E C 0.870 177.474 176.600 0.007 0.000 0.985 15 E CA 0.776 57.180 56.400 0.008 0.000 0.814 15 E CB 0.011 29.716 29.700 0.009 0.000 0.752 15 E HN 0.600 nan 8.360 nan 0.000 0.466 16 L N 1.034 122.261 121.223 0.007 0.000 2.410 16 L HA 0.303 4.643 4.340 0.000 0.000 0.270 16 L C -0.731 176.144 176.870 0.007 0.000 0.983 16 L CA -0.659 54.185 54.840 0.007 0.000 0.822 16 L CB 1.938 44.000 42.059 0.006 0.000 1.285 16 L HN 0.058 nan 8.230 nan 0.000 0.409 17 S N 3.845 119.550 115.700 0.008 0.000 2.610 17 S HA 0.551 5.021 4.470 0.000 0.000 0.273 17 S C -2.063 172.543 174.600 0.010 0.000 1.274 17 S CA -0.940 57.266 58.200 0.009 0.000 1.023 17 S CB 1.125 64.331 63.200 0.010 0.000 0.962 17 S HN 0.620 nan 8.310 nan 0.000 0.523 18 P HA -0.091 nan 4.420 nan 0.000 0.216 18 P C 1.096 178.406 177.300 0.017 0.000 1.150 18 P CA 1.079 64.186 63.100 0.011 0.000 0.837 18 P CB -0.020 31.687 31.700 0.011 0.000 0.786 19 N N -0.540 118.172 118.700 0.020 0.000 2.166 19 N HA -0.124 4.617 4.740 0.000 0.000 0.186 19 N C 1.692 177.222 175.510 0.034 0.000 1.019 19 N CA 1.607 54.674 53.050 0.029 0.000 0.856 19 N CB -0.841 37.660 38.487 0.023 0.000 0.993 19 N HN 0.085 nan 8.380 nan 0.000 0.426 20 A N 1.102 123.936 122.820 0.024 0.000 1.898 20 A HA 0.115 4.435 4.320 0.000 0.000 0.216 20 A C 2.409 180.006 177.584 0.022 0.000 1.181 20 A CA 1.651 53.702 52.037 0.023 0.000 0.620 20 A CB -0.740 18.269 19.000 0.015 0.000 0.819 20 A HN 0.297 nan 8.150 nan 0.000 0.442 21 A N 0.202 123.030 122.820 0.014 0.000 1.883 21 A HA -0.119 4.201 4.320 0.000 0.000 0.217 21 A C 2.003 179.586 177.584 -0.002 0.000 1.186 21 A CA 1.776 53.816 52.037 0.004 0.000 0.624 21 A CB -0.523 18.477 19.000 -0.001 0.000 0.822 21 A HN 0.404 nan 8.150 nan 0.000 0.444 22 I N -0.139 120.435 120.570 0.008 0.000 2.315 22 I HA -0.198 3.972 4.170 0.000 0.000 0.248 22 I C 2.910 179.059 176.117 0.053 0.000 1.117 22 I CA 1.347 62.642 61.300 -0.008 0.000 1.404 22 I CB -1.611 36.408 38.000 0.031 0.000 1.071 22 I HN 0.368 nan 8.210 nan 0.000 0.419 23 A N 0.006 122.893 122.820 0.111 0.000 1.972 23 A HA -0.254 4.066 4.320 0.000 0.000 0.219 23 A C 2.253 179.896 177.584 0.099 0.000 1.169 23 A CA 1.500 53.628 52.037 0.151 0.000 0.635 23 A CB -0.515 18.536 19.000 0.085 0.000 0.810 23 A HN 0.365 nan 8.150 nan 0.000 0.446 24 Q N -0.001 119.824 119.800 0.042 0.000 2.050 24 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 24 Q C 2.481 178.480 176.000 -0.001 0.000 0.980 24 Q CA 2.151 57.964 55.803 0.017 0.000 0.840 24 Q CB -0.301 28.438 28.738 0.002 0.000 0.898 24 Q HN 0.651 nan 8.270 nan 0.000 0.424 25 S N -0.374 115.299 115.700 -0.044 0.000 2.356 25 S HA -0.174 4.296 4.470 0.000 0.000 0.223 25 S C 1.677 176.210 174.600 -0.112 0.000 1.032 25 S CA 1.138 59.276 58.200 -0.102 0.000 1.005 25 S CB -0.487 62.611 63.200 -0.170 0.000 0.867 25 S HN 0.454 nan 8.310 nan 0.000 0.449 26 H N 1.525 120.594 119.070 -0.002 0.000 2.319 26 H HA -0.066 4.490 4.556 0.000 0.000 0.297 26 H C 2.509 177.836 175.328 -0.001 0.000 1.097 26 H CA 1.563 57.633 56.048 0.038 0.000 1.285 26 H CB -0.742 29.070 29.762 0.084 0.000 1.368 26 H HN 0.448 nan 8.280 nan 0.000 0.495 27 A N 0.984 123.877 122.820 0.122 0.000 1.898 27 A HA -0.047 4.273 4.320 0.000 0.000 0.216 27 A C 2.714 180.305 177.584 0.011 0.000 1.181 27 A CA 1.662 53.733 52.037 0.058 0.000 0.620 27 A CB -0.760 18.266 19.000 0.043 0.000 0.819 27 A HN 0.442 nan 8.150 nan 0.000 0.442 28 A N -0.119 122.694 122.820 -0.011 0.000 1.933 28 A HA -0.055 4.265 4.320 0.000 0.000 0.218 28 A C 2.098 179.652 177.584 -0.050 0.000 1.175 28 A CA 1.488 53.508 52.037 -0.028 0.000 0.628 28 A CB -0.552 18.430 19.000 -0.031 0.000 0.814 28 A HN 0.507 nan 8.150 nan 0.000 0.444 29 I N -1.091 119.416 120.570 -0.106 0.000 2.286 29 I HA -0.180 3.990 4.170 0.000 0.000 0.245 29 I C 2.501 178.541 176.117 -0.128 0.000 1.104 29 I CA 1.469 62.653 61.300 -0.193 0.000 1.397 29 I CB -0.283 37.357 38.000 -0.599 0.000 1.072 29 I HN 0.258 nan 8.210 nan 0.000 0.417 30 E N 1.200 121.362 120.200 -0.064 0.000 2.110 30 E HA -0.186 4.164 4.350 0.000 0.000 0.193 30 E C 2.147 178.746 176.600 -0.002 0.000 0.988 30 E CA 1.483 57.886 56.400 0.005 0.000 0.804 30 E CB -0.179 29.549 29.700 0.047 0.000 0.745 30 E HN 0.445 nan 8.360 nan 0.000 0.458 31 A N -0.031 122.782 122.820 -0.011 0.000 2.015 31 A HA -0.090 4.230 4.320 0.000 0.000 0.219 31 A C 1.786 179.358 177.584 -0.021 0.000 1.163 31 A CA 1.224 53.253 52.037 -0.012 0.000 0.646 31 A CB -0.011 18.981 19.000 -0.014 0.000 0.806 31 A HN 0.042 nan 8.150 nan 0.000 0.448 32 R N -1.822 118.661 120.500 -0.028 0.000 2.513 32 R HA 0.096 4.436 4.340 0.000 0.000 0.245 32 R C 1.529 177.802 176.300 -0.045 0.000 0.908 32 R CA 0.682 56.757 56.100 -0.043 0.000 1.023 32 R CB -0.296 29.973 30.300 -0.052 0.000 1.338 32 R HN 0.496 nan 8.270 nan 0.000 0.575 33 E N 2.450 122.644 120.200 -0.010 0.000 2.130 33 E HA -0.159 4.191 4.350 0.000 0.000 0.196 33 E C 1.324 177.939 176.600 0.025 0.000 0.998 33 E CA 1.605 58.025 56.400 0.034 0.000 0.806 33 E CB 0.041 29.778 29.700 0.061 0.000 0.738 33 E HN 0.163 nan 8.360 nan 0.000 0.459 34 K N -0.336 120.077 120.400 0.022 0.000 2.283 34 K HA -0.148 4.172 4.320 0.000 0.000 0.202 34 K C 1.827 178.383 176.600 -0.074 0.000 1.048 34 K CA 1.445 57.770 56.287 0.064 0.000 0.948 34 K CB -0.030 32.505 32.500 0.058 0.000 0.742 34 K HN 0.447 nan 8.250 nan 0.000 0.458 35 E N -0.644 119.433 120.200 -0.205 0.000 2.389 35 E HA -0.004 4.346 4.350 0.000 0.000 0.199 35 E C 1.436 177.704 176.600 -0.554 0.000 0.978 35 E CA 0.188 56.395 56.400 -0.322 0.000 0.912 35 E CB 0.348 29.960 29.700 -0.147 0.000 0.907 35 E HN -0.075 nan 8.360 nan 0.000 0.494 36 V N 0.534 120.177 119.914 -0.452 0.000 2.949 36 V HA -0.004 4.116 4.120 0.000 0.000 0.245 36 V C 0.053 175.989 176.094 -0.263 0.000 1.086 36 V CA 0.935 63.044 62.300 -0.319 0.000 1.097 36 V CB -1.016 30.720 31.823 -0.146 0.000 0.762 36 V HN 0.419 nan 8.190 nan 0.000 0.470 37 H N -0.589 118.500 119.070 0.030 0.000 2.756 37 H HA -0.192 4.364 4.556 0.000 0.000 0.315 37 H C 1.295 176.635 175.328 0.019 0.000 1.210 37 H CA 0.188 56.260 56.048 0.041 0.000 1.150 37 H CB -1.392 28.384 29.762 0.023 0.000 1.463 37 H HN 0.489 nan 8.280 nan 0.000 0.427 38 A N -0.294 122.579 122.820 0.089 0.000 2.132 38 A HA 0.253 4.573 4.320 0.000 0.000 0.213 38 A C 0.383 177.838 177.584 -0.216 0.000 1.154 38 A CA 0.374 52.353 52.037 -0.097 0.000 0.753 38 A CB 0.375 19.246 19.000 -0.215 0.000 0.826 38 A HN 0.253 nan 8.150 nan 0.000 0.469 39 F N -1.755 118.200 119.950 0.009 0.000 2.469 39 F HA 0.410 4.937 4.527 0.000 0.000 0.332 39 F C 1.161 176.983 175.800 0.037 0.000 1.103 39 F CA -0.451 57.559 58.000 0.017 0.000 0.979 39 F CB 2.015 41.030 39.000 0.026 0.000 1.137 39 F HN -0.167 nan 8.300 nan 0.000 0.463 40 V N 2.125 122.164 119.914 0.208 0.000 2.535 40 V HA 0.082 4.202 4.120 0.000 0.000 0.246 40 V C 0.479 176.671 176.094 0.164 0.000 1.045 40 V CA 1.067 63.449 62.300 0.137 0.000 1.058 40 V CB -0.357 31.518 31.823 0.086 0.000 0.689 40 V HN 0.601 nan 8.190 nan 0.000 0.461 41 R N -0.547 120.091 120.500 0.229 0.000 2.518 41 R HA 0.349 4.689 4.340 0.000 0.000 0.287 41 R C -0.954 175.474 176.300 0.213 0.000 1.135 41 R CA -0.417 55.789 56.100 0.178 0.000 0.967 41 R CB 1.460 31.828 30.300 0.114 0.000 1.212 41 R HN 0.436 nan 8.270 nan 0.000 0.422 42 H N 2.452 121.500 119.070 -0.037 0.000 2.597 42 H HA 0.126 4.682 4.556 0.000 0.000 0.303 42 H C -0.963 174.311 175.328 -0.091 0.000 1.057 42 H CA -0.651 55.262 56.048 -0.225 0.000 1.261 42 H CB 1.230 30.759 29.762 -0.388 0.000 1.397 42 H HN 0.491 nan 8.280 nan 0.000 0.461 43 D N 5.123 125.502 120.400 -0.034 0.000 2.435 43 D HA 0.017 4.658 4.640 0.000 0.000 0.230 43 D C 0.685 176.853 176.300 -0.221 0.000 1.215 43 D CA -0.182 53.754 54.000 -0.106 0.000 0.947 43 D CB 0.668 41.473 40.800 0.009 0.000 1.048 43 D HN 0.612 nan 8.370 nan 0.000 0.512 44 K N 0.983 121.080 120.400 -0.504 0.000 2.360 44 K HA -0.109 4.212 4.320 0.000 0.000 0.201 44 K C 1.591 177.928 176.600 -0.437 0.000 1.046 44 K CA 1.067 57.000 56.287 -0.591 0.000 0.945 44 K CB 0.075 32.269 32.500 -0.509 0.000 0.750 44 K HN 0.381 nan 8.250 nan 0.000 0.464 45 S N 0.126 115.696 115.700 -0.217 0.000 2.575 45 S HA 0.191 4.661 4.470 0.000 0.000 0.215 45 S C 0.794 175.374 174.600 -0.033 0.000 0.966 45 S CA -0.367 57.748 58.200 -0.141 0.000 0.911 45 S CB 0.135 63.277 63.200 -0.096 0.000 0.780 45 S HN 0.191 nan 8.310 nan 0.000 0.514 46 A N 2.352 125.213 122.820 0.069 0.000 2.566 46 A HA 0.370 4.691 4.320 0.000 0.000 0.245 46 A C 0.520 178.218 177.584 0.190 0.000 1.056 46 A CA -0.051 52.069 52.037 0.138 0.000 0.757 46 A CB 0.021 19.123 19.000 0.170 0.000 0.979 46 A HN 0.638 nan 8.150 nan 0.000 0.508 47 R N 1.444 122.002 120.500 0.097 0.000 2.873 47 R HA 0.671 5.011 4.340 0.000 0.000 0.264 47 R C 0.082 176.416 176.300 0.056 0.000 1.026 47 R CA -0.454 55.696 56.100 0.082 0.000 1.002 47 R CB 1.806 32.130 30.300 0.041 0.000 1.174 47 R HN 0.810 nan 8.270 nan 0.000 0.488 48 A N 1.237 124.085 122.820 0.047 0.000 2.332 48 A HA 0.206 4.526 4.320 0.000 0.000 0.258 48 A C -0.276 177.320 177.584 0.020 0.000 1.087 48 A CA -0.275 51.779 52.037 0.028 0.000 0.802 48 A CB 0.496 19.511 19.000 0.025 0.000 1.042 48 A HN 0.602 nan 8.150 nan 0.000 0.489 49 Q N -0.264 119.545 119.800 0.015 0.000 2.205 49 Q HA 0.510 4.850 4.340 0.000 0.000 0.249 49 Q C 0.896 176.902 176.000 0.010 0.000 0.948 49 Q CA -0.136 55.674 55.803 0.011 0.000 0.895 49 Q CB 1.729 30.473 28.738 0.010 0.000 1.249 49 Q HN 0.822 nan 8.270 nan 0.000 0.458 50 A N 0.882 123.707 122.820 0.009 0.000 2.067 50 A HA 0.012 4.332 4.320 0.000 0.000 0.217 50 A C 0.675 178.263 177.584 0.007 0.000 1.156 50 A CA 1.072 53.114 52.037 0.008 0.000 0.683 50 A CB 0.135 19.139 19.000 0.007 0.000 0.808 50 A HN 0.646 nan 8.150 nan 0.000 0.455 51 S N -3.100 112.605 115.700 0.007 0.000 2.685 51 S HA 0.730 5.200 4.470 0.000 0.000 0.282 51 S C -0.121 174.483 174.600 0.007 0.000 1.159 51 S CA -0.159 58.045 58.200 0.007 0.000 0.833 51 S CB 1.197 64.401 63.200 0.007 0.000 1.151 51 S HN 2.030 nan 8.310 nan 0.000 0.485 52 G N 1.060 109.864 108.800 0.007 0.000 2.617 52 G HA2 0.074 4.034 3.960 0.000 0.000 0.686 52 G HA3 0.074 4.034 3.960 0.000 0.000 0.686 52 G C -2.200 172.704 174.900 0.007 0.000 1.214 52 G CA -0.292 44.812 45.100 0.007 0.000 0.796 52 G HN 0.619 nan 8.290 nan 0.000 0.654 53 P HA -0.050 nan 4.420 nan 0.000 0.221 53 P C 1.503 178.804 177.300 0.002 0.000 1.145 53 P CA 1.054 64.158 63.100 0.007 0.000 0.795 53 P CB 0.171 31.876 31.700 0.009 0.000 0.775 54 L N -0.425 120.798 121.223 -0.000 0.000 2.700 54 L HA 0.187 4.527 4.340 0.000 0.000 0.234 54 L C 1.224 178.093 176.870 -0.001 0.000 1.156 54 L CA -0.592 54.245 54.840 -0.004 0.000 0.946 54 L CB -0.394 41.661 42.059 -0.007 0.000 1.216 54 L HN -0.021 nan 8.230 nan 0.000 0.493 55 R N 0.315 120.817 120.500 0.002 0.000 2.538 55 R HA 0.250 4.590 4.340 0.000 0.000 0.282 55 R C 0.905 177.206 176.300 0.002 0.000 1.009 55 R CA 0.700 56.802 56.100 0.004 0.000 1.063 55 R CB 0.001 30.305 30.300 0.006 0.000 0.945 55 R HN 0.184 nan 8.270 nan 0.000 0.414 56 G N 2.536 111.337 108.800 0.002 0.000 2.179 56 G HA2 -0.214 3.746 3.960 0.000 0.000 0.260 56 G HA3 -0.214 3.746 3.960 0.000 0.000 0.260 56 G C -0.008 174.887 174.900 -0.009 0.000 0.977 56 G CA 0.045 45.145 45.100 -0.000 0.000 0.641 56 G HN 0.559 nan 8.290 nan 0.000 0.533 57 I N 1.728 122.293 120.570 -0.010 0.000 2.304 57 I HA 0.632 4.802 4.170 0.000 0.000 0.291 57 I C 0.868 176.974 176.117 -0.017 0.000 1.018 57 I CA -1.004 60.287 61.300 -0.015 0.000 1.260 57 I CB 0.601 38.593 38.000 -0.012 0.000 1.390 57 I HN 0.334 nan 8.210 nan 0.000 0.475 58 A N 7.204 130.006 122.820 -0.030 0.000 2.363 58 A HA 0.661 4.981 4.320 0.000 0.000 0.270 58 A C -0.222 177.362 177.584 -0.000 0.000 1.121 58 A CA -0.324 51.692 52.037 -0.035 0.000 0.800 58 A CB 0.648 19.595 19.000 -0.088 0.000 1.052 58 A HN 0.478 nan 8.150 nan 0.000 0.493 59 V N 1.922 121.849 119.914 0.023 0.000 2.588 59 V HA 0.656 4.776 4.120 0.000 0.000 0.304 59 V C 0.723 176.867 176.094 0.083 0.000 1.042 59 V CA -0.296 62.029 62.300 0.042 0.000 0.877 59 V CB 1.827 33.668 31.823 0.030 0.000 0.996 59 V HN 1.170 nan 8.190 nan 0.000 0.425 60 G N 4.306 113.153 108.800 0.079 0.000 2.377 60 G HA2 0.662 4.622 3.960 0.000 0.000 0.299 60 G HA3 0.662 4.622 3.960 0.000 0.000 0.299 60 G C -0.767 174.148 174.900 0.025 0.000 1.150 60 G CA -0.408 44.740 45.100 0.081 0.000 0.847 60 G HN 0.454 nan 8.290 nan 0.000 0.501 61 I N 1.666 122.258 120.570 0.037 0.000 2.410 61 I HA 0.261 4.431 4.170 0.000 0.000 0.286 61 I C 0.454 176.573 176.117 0.002 0.000 1.009 61 I CA -1.082 60.235 61.300 0.029 0.000 1.111 61 I CB 1.500 39.531 38.000 0.051 0.000 1.262 61 I HN 0.540 nan 8.210 nan 0.000 0.443 62 K N 4.009 124.406 120.400 -0.005 0.000 2.511 62 K HA -0.131 4.189 4.320 0.000 0.000 0.280 62 K C 0.422 177.026 176.600 0.006 0.000 1.008 62 K CA 0.293 56.571 56.287 -0.016 0.000 1.050 62 K CB 0.525 33.036 32.500 0.017 0.000 0.889 62 K HN 0.428 nan 8.250 nan 0.000 0.484 63 D N 4.249 124.646 120.400 -0.005 0.000 2.490 63 D HA -0.001 4.639 4.640 0.000 0.000 0.255 63 D C 0.679 176.983 176.300 0.007 0.000 1.248 63 D CA 0.340 54.347 54.000 0.011 0.000 0.887 63 D CB -0.251 40.555 40.800 0.010 0.000 0.978 63 D HN 0.570 nan 8.370 nan 0.000 0.491 64 I N -3.413 117.167 120.570 0.017 0.000 4.154 64 I HA 0.304 4.474 4.170 0.000 0.000 0.334 64 I C 0.117 176.264 176.117 0.050 0.000 1.371 64 I CA -0.281 61.031 61.300 0.021 0.000 1.110 64 I CB 0.346 38.370 38.000 0.039 0.000 1.085 64 I HN -0.222 nan 8.210 nan 0.000 0.398 65 I N 2.889 123.489 120.570 0.051 0.000 2.321 65 I HA 0.270 4.440 4.170 0.000 0.000 0.291 65 I C -0.483 175.669 176.117 0.058 0.000 0.998 65 I CA -0.529 60.805 61.300 0.058 0.000 1.227 65 I CB 0.818 38.849 38.000 0.052 0.000 1.368 65 I HN -0.006 nan 8.210 nan 0.000 0.466 66 D N 5.032 125.472 120.400 0.067 0.000 2.493 66 D HA 0.127 4.767 4.640 0.000 0.000 0.240 66 D C 0.152 176.471 176.300 0.032 0.000 1.142 66 D CA 0.649 54.685 54.000 0.060 0.000 0.872 66 D CB 0.839 41.681 40.800 0.070 0.000 1.173 66 D HN 0.566 nan 8.370 nan 0.000 0.467 67 T N -1.792 112.768 114.554 0.011 0.000 2.893 67 T HA 0.636 4.986 4.350 0.000 0.000 0.293 67 T C 0.659 175.338 174.700 -0.035 0.000 1.027 67 T CA -0.919 61.180 62.100 -0.001 0.000 0.988 67 T CB 1.983 70.859 68.868 0.012 0.000 1.043 67 T HN 0.164 nan 8.240 nan 0.000 0.461 68 A N 2.191 124.991 122.820 -0.034 0.000 2.072 68 A HA 0.076 4.396 4.320 0.000 0.000 0.216 68 A C 1.955 179.503 177.584 -0.060 0.000 1.156 68 A CA 0.745 52.748 52.037 -0.057 0.000 0.701 68 A CB -0.453 18.524 19.000 -0.039 0.000 0.816 68 A HN 0.881 nan 8.150 nan 0.000 0.458 69 N N -1.136 117.541 118.700 -0.038 0.000 2.254 69 N HA 0.170 4.911 4.740 0.000 0.000 0.190 69 N C 0.086 175.578 175.510 -0.030 0.000 1.107 69 N CA 0.150 53.181 53.050 -0.033 0.000 0.869 69 N CB 0.098 38.575 38.487 -0.017 0.000 0.983 69 N HN 0.408 nan 8.380 nan 0.000 0.487 70 M N 0.139 119.723 119.600 -0.028 0.000 2.501 70 M HA 0.471 4.952 4.480 0.000 0.000 0.293 70 M C -2.795 173.487 176.300 -0.030 0.000 1.192 70 M CA -2.020 53.272 55.300 -0.014 0.000 0.886 70 M CB 2.924 35.536 32.600 0.020 0.000 1.710 70 M HN -0.300 nan 8.290 nan 0.000 0.457 71 P HA 0.127 nan 4.420 nan 0.000 0.271 71 P C -0.906 176.409 177.300 0.024 0.000 1.233 71 P CA -0.095 62.992 63.100 -0.021 0.000 0.789 71 P CB 0.462 32.175 31.700 0.022 0.000 0.951 72 T N 1.137 115.729 114.554 0.064 0.000 3.068 72 T HA 0.175 4.525 4.350 0.000 0.000 0.364 72 T C 0.336 175.177 174.700 0.235 0.000 1.161 72 T CA -0.305 61.870 62.100 0.126 0.000 1.155 72 T CB 0.143 69.092 68.868 0.135 0.000 1.060 72 T HN 0.338 nan 8.240 nan 0.000 0.513 73 E N 2.969 123.262 120.200 0.155 0.000 2.479 73 E HA 0.066 4.416 4.350 0.000 0.000 0.193 73 E C 0.710 177.328 176.600 0.028 0.000 1.049 73 E CA -0.149 56.355 56.400 0.172 0.000 0.870 73 E CB 0.011 29.788 29.700 0.128 0.000 0.944 73 E HN 0.481 nan 8.360 nan 0.000 0.492 74 M N -0.932 118.620 119.600 -0.080 0.000 2.763 74 M HA -0.239 4.241 4.480 0.000 0.000 0.178 74 M C 1.069 177.167 176.300 -0.338 0.000 0.620 74 M CA 1.324 56.465 55.300 -0.267 0.000 0.594 74 M CB -2.901 29.369 32.600 -0.550 0.000 2.167 74 M HN 0.453 nan 8.290 nan 0.000 0.512 75 G N 0.193 108.888 108.800 -0.176 0.000 2.187 75 G HA2 -0.255 3.705 3.960 0.000 0.000 0.261 75 G HA3 -0.255 3.705 3.960 0.000 0.000 0.261 75 G C 0.108 174.885 174.900 -0.204 0.000 1.000 75 G CA 1.037 46.044 45.100 -0.155 0.000 0.718 75 G HN 1.079 nan 8.290 nan 0.000 0.519 76 S N -0.863 114.700 115.700 -0.229 0.000 2.536 76 S HA 0.560 5.030 4.470 0.000 0.000 0.287 76 S C 1.275 175.884 174.600 0.015 0.000 1.101 76 S CA 0.389 58.490 58.200 -0.165 0.000 0.950 76 S CB 1.227 64.178 63.200 -0.415 0.000 1.056 76 S HN 0.502 nan 8.310 nan 0.000 0.481 77 E N 3.486 123.709 120.200 0.039 0.000 2.265 77 E HA -0.108 4.242 4.350 0.000 0.000 0.196 77 E C 1.361 177.998 176.600 0.061 0.000 0.996 77 E CA 1.007 57.438 56.400 0.053 0.000 0.832 77 E CB -0.365 29.361 29.700 0.042 0.000 0.756 77 E HN 0.766 nan 8.360 nan 0.000 0.491 78 I N 0.004 120.630 120.570 0.094 0.000 2.454 78 I HA -0.225 3.945 4.170 0.000 0.000 0.254 78 I C 0.980 177.020 176.117 -0.129 0.000 1.156 78 I CA 1.086 62.385 61.300 -0.002 0.000 1.433 78 I CB -0.069 38.016 38.000 0.141 0.000 1.082 78 I HN 0.085 nan 8.210 nan 0.000 0.432 79 Y N 0.129 120.464 120.300 0.058 0.000 2.720 79 Y HA 0.288 4.838 4.550 -0.000 0.000 0.277 79 Y C 0.768 176.755 175.900 0.146 0.000 1.144 79 Y CA -0.881 57.278 58.100 0.098 0.000 1.221 79 Y CB -0.083 38.428 38.460 0.086 0.000 1.163 79 Y HN -0.071 nan 8.280 nan 0.000 0.537 80 R N 0.819 121.424 120.500 0.174 0.000 2.502 80 R HA 0.276 4.616 4.340 0.000 0.000 0.292 80 R C 1.336 177.736 176.300 0.166 0.000 0.998 80 R CA 1.153 57.337 56.100 0.141 0.000 1.056 80 R CB -0.246 30.105 30.300 0.084 0.000 0.939 80 R HN 0.586 nan 8.270 nan 0.000 0.411 81 G N 3.688 112.581 108.800 0.156 0.000 2.189 81 G HA2 -0.300 3.660 3.960 0.000 0.000 0.267 81 G HA3 -0.300 3.660 3.960 0.000 0.000 0.267 81 G C 0.049 175.061 174.900 0.188 0.000 0.975 81 G CA 0.287 45.467 45.100 0.134 0.000 0.644 81 G HN 0.726 nan 8.290 nan 0.000 0.537 82 W N 1.169 122.523 121.300 0.091 0.000 2.308 82 W HA 0.549 5.209 4.660 0.000 0.000 0.324 82 W C 0.012 176.585 176.519 0.089 0.000 1.387 82 W CA -0.022 57.392 57.345 0.115 0.000 1.250 82 W CB 0.752 30.369 29.460 0.262 0.000 1.257 82 W HN 0.192 nan 8.180 nan 0.000 0.554 83 Q N 8.339 127.594 119.800 -0.909 0.000 2.401 83 Q HA 0.385 4.725 4.340 0.000 0.000 0.260 83 Q C -2.458 172.876 176.000 -1.110 0.000 1.034 83 Q CA -2.178 53.149 55.803 -0.793 0.000 0.737 83 Q CB 1.386 29.881 28.738 -0.406 0.000 1.227 83 Q HN 0.147 nan 8.270 nan 0.000 0.488 84 P HA 0.093 nan 4.420 nan 0.000 0.268 84 P C -0.141 176.993 177.300 -0.278 0.000 1.208 84 P CA -0.195 62.646 63.100 -0.433 0.000 0.777 84 P CB 0.909 32.542 31.700 -0.111 0.000 0.875 85 R N 1.540 121.951 120.500 -0.149 0.000 2.093 85 R HA 0.027 4.367 4.340 0.000 0.000 0.224 85 R C 0.404 176.670 176.300 -0.056 0.000 1.101 85 R CA 1.363 57.407 56.100 -0.095 0.000 0.979 85 R CB -0.478 29.797 30.300 -0.041 0.000 0.877 85 R HN 0.605 nan 8.270 nan 0.000 0.441 86 S N -0.667 115.017 115.700 -0.028 0.000 2.638 86 S HA 0.463 4.933 4.470 0.000 0.000 0.302 86 S C -1.013 173.584 174.600 -0.005 0.000 1.096 86 S CA -1.136 57.057 58.200 -0.012 0.000 0.953 86 S CB 1.875 65.077 63.200 0.004 0.000 1.107 86 S HN 0.063 nan 8.310 nan 0.000 0.503 87 D N 1.440 121.839 120.400 -0.001 0.000 2.304 87 D HA 0.486 5.126 4.640 0.000 0.000 0.250 87 D C 0.495 176.805 176.300 0.017 0.000 1.107 87 D CA 0.137 54.142 54.000 0.007 0.000 0.885 87 D CB 1.495 42.299 40.800 0.007 0.000 1.192 87 D HN 0.829 nan 8.370 nan 0.000 0.436 88 A N 3.963 126.799 122.820 0.026 0.000 2.466 88 A HA 0.186 4.506 4.320 0.000 0.000 0.238 88 A C -1.338 176.260 177.584 0.024 0.000 1.074 88 A CA -0.763 51.292 52.037 0.031 0.000 0.774 88 A CB 0.080 19.103 19.000 0.040 0.000 1.015 88 A HN 0.343 nan 8.150 nan 0.000 0.498 89 P HA -0.184 nan 4.420 nan 0.000 0.216 89 P C 1.558 178.867 177.300 0.014 0.000 1.150 89 P CA 2.127 65.236 63.100 0.016 0.000 0.843 89 P CB -0.247 31.462 31.700 0.015 0.000 0.787 90 V N -3.657 116.267 119.914 0.016 0.000 2.515 90 V HA -0.166 3.954 4.120 0.000 0.000 0.250 90 V C 2.098 178.199 176.094 0.012 0.000 1.058 90 V CA 1.678 63.985 62.300 0.012 0.000 1.064 90 V CB -1.754 30.078 31.823 0.015 0.000 0.675 90 V HN -0.053 nan 8.190 nan 0.000 0.461 91 V N -0.112 119.813 119.914 0.018 0.000 2.343 91 V HA -0.204 3.916 4.120 0.000 0.000 0.247 91 V C 2.781 178.883 176.094 0.013 0.000 1.051 91 V CA 2.412 64.723 62.300 0.018 0.000 1.036 91 V CB -0.621 31.216 31.823 0.022 0.000 0.654 91 V HN 0.408 nan 8.190 nan 0.000 0.451 92 M N -1.184 118.423 119.600 0.012 0.000 2.213 92 M HA -0.129 4.351 4.480 0.000 0.000 0.263 92 M C 2.146 178.449 176.300 0.006 0.000 1.062 92 M CA 1.730 57.035 55.300 0.009 0.000 1.105 92 M CB -0.982 31.623 32.600 0.009 0.000 1.385 92 M HN 0.340 nan 8.290 nan 0.000 0.417 93 M N -0.521 119.081 119.600 0.005 0.000 2.159 93 M HA -0.200 4.280 4.480 0.000 0.000 0.263 93 M C 2.080 178.379 176.300 -0.002 0.000 1.063 93 M CA 1.372 56.673 55.300 0.001 0.000 1.110 93 M CB -0.440 32.157 32.600 -0.004 0.000 1.374 93 M HN 0.205 nan 8.290 nan 0.000 0.411 94 L N -0.237 120.986 121.223 -0.001 0.000 2.044 94 L HA -0.175 4.165 4.340 0.000 0.000 0.205 94 L C 2.491 179.363 176.870 0.003 0.000 1.075 94 L CA 1.209 56.048 54.840 -0.002 0.000 0.747 94 L CB -0.600 41.461 42.059 0.003 0.000 0.903 94 L HN 0.232 nan 8.230 nan 0.000 0.435 95 K N 0.150 120.554 120.400 0.006 0.000 2.057 95 K HA -0.151 4.169 4.320 0.000 0.000 0.207 95 K C 2.193 178.797 176.600 0.006 0.000 1.049 95 K CA 1.218 57.510 56.287 0.007 0.000 0.931 95 K CB -0.217 32.288 32.500 0.009 0.000 0.714 95 K HN 0.259 nan 8.250 nan 0.000 0.440 96 R N 0.442 120.945 120.500 0.005 0.000 2.193 96 R HA -0.052 4.288 4.340 0.000 0.000 0.229 96 R C 2.010 178.314 176.300 0.005 0.000 1.110 96 R CA 0.959 57.062 56.100 0.005 0.000 0.988 96 R CB -0.153 30.151 30.300 0.006 0.000 0.871 96 R HN 0.175 nan 8.270 nan 0.000 0.458 97 A N -0.280 122.542 122.820 0.003 0.000 2.218 97 A HA 0.223 4.543 4.320 0.000 0.000 0.209 97 A C 1.394 178.980 177.584 0.003 0.000 1.168 97 A CA 0.823 52.862 52.037 0.003 0.000 0.804 97 A CB 0.161 19.160 19.000 -0.002 0.000 0.834 97 A HN 0.422 nan 8.150 nan 0.000 0.482 98 G N -2.215 106.587 108.800 0.004 0.000 2.179 98 G HA2 0.143 4.103 3.960 0.000 0.000 0.220 98 G HA3 0.143 4.103 3.960 0.000 0.000 0.220 98 G C 0.456 175.358 174.900 0.005 0.000 0.990 98 G CA 0.194 45.297 45.100 0.005 0.000 0.646 98 G HN 1.453 nan 8.290 nan 0.000 0.517 99 A N -0.224 122.598 122.820 0.003 0.000 2.346 99 A HA 0.732 5.052 4.320 0.000 0.000 0.252 99 A C 0.571 178.159 177.584 0.008 0.000 1.089 99 A CA 1.071 53.109 52.037 0.003 0.000 0.797 99 A CB 0.507 19.508 19.000 0.002 0.000 1.047 99 A HN 0.743 nan 8.150 nan 0.000 0.494 100 T N 2.167 116.725 114.554 0.007 0.000 2.779 100 T HA 0.410 4.760 4.350 0.000 0.000 0.280 100 T C -0.138 174.574 174.700 0.019 0.000 0.987 100 T CA -0.203 61.905 62.100 0.013 0.000 0.966 100 T CB 0.480 69.352 68.868 0.005 0.000 0.933 100 T HN 0.365 nan 8.240 nan 0.000 0.442 101 I N 4.726 125.315 120.570 0.032 0.000 2.278 101 I HA 0.211 4.381 4.170 0.000 0.000 0.296 101 I C 1.265 177.422 176.117 0.066 0.000 1.121 101 I CA -0.076 61.253 61.300 0.049 0.000 1.267 101 I CB -0.050 37.977 38.000 0.046 0.000 1.447 101 I HN 0.747 nan 8.210 nan 0.000 0.509 102 I N 4.432 125.047 120.570 0.074 0.000 3.251 102 I HA 0.152 4.322 4.170 0.000 0.000 0.277 102 I C 0.894 177.108 176.117 0.161 0.000 1.268 102 I CA 0.410 61.760 61.300 0.082 0.000 1.449 102 I CB 0.373 38.357 38.000 -0.026 0.000 1.083 102 I HN 0.717 nan 8.210 nan 0.000 0.464 103 G N 0.351 109.286 108.800 0.225 0.000 2.328 103 G HA2 0.137 4.097 3.960 0.000 0.000 0.299 103 G HA3 0.137 4.097 3.960 0.000 0.000 0.299 103 G C -1.793 173.315 174.900 0.347 0.000 1.435 103 G CA -0.872 44.412 45.100 0.307 0.000 0.865 103 G HN -0.168 nan 8.290 nan 0.000 0.601 104 K N 1.422 122.008 120.400 0.311 0.000 2.213 104 K HA 0.603 4.923 4.320 0.000 0.000 0.270 104 K C 0.437 177.101 176.600 0.107 0.000 1.002 104 K CA -0.474 55.912 56.287 0.166 0.000 0.868 104 K CB 1.370 33.938 32.500 0.112 0.000 1.093 104 K HN 0.871 nan 8.250 nan 0.000 0.454 105 T N -1.420 113.078 114.554 -0.094 0.000 2.922 105 T HA 0.233 4.583 4.350 0.000 0.000 0.285 105 T C 0.593 175.206 174.700 -0.145 0.000 1.005 105 T CA -0.781 61.146 62.100 -0.288 0.000 1.061 105 T CB 0.655 69.260 68.868 -0.440 0.000 1.007 105 T HN 0.564 nan 8.240 nan 0.000 0.502 106 T N 0.015 114.484 114.554 -0.140 0.000 2.937 106 T HA 0.382 4.732 4.350 0.000 0.000 0.316 106 T C 0.204 174.857 174.700 -0.077 0.000 1.079 106 T CA -0.476 61.579 62.100 -0.075 0.000 1.131 106 T CB 0.567 69.405 68.868 -0.051 0.000 1.000 106 T HN 0.965 nan 8.240 nan 0.000 0.549 107 T N 1.274 115.796 114.554 -0.053 0.000 2.916 107 T HA 0.580 4.930 4.350 0.000 0.000 0.305 107 T C 0.137 174.811 174.700 -0.043 0.000 1.119 107 T CA -0.378 61.695 62.100 -0.045 0.000 1.008 107 T CB 1.392 70.237 68.868 -0.038 0.000 1.129 107 T HN 1.133 nan 8.240 nan 0.000 0.480 108 T N 1.720 116.258 114.554 -0.027 0.000 2.802 108 T HA 0.565 4.915 4.350 0.000 0.000 0.305 108 T C 0.792 175.463 174.700 -0.047 0.000 1.053 108 T CA -0.348 61.740 62.100 -0.021 0.000 1.058 108 T CB 0.204 69.074 68.868 0.003 0.000 0.988 108 T HN 1.010 nan 8.240 nan 0.000 0.539 109 A N 1.655 124.443 122.820 -0.054 0.000 2.537 109 A HA 0.388 4.708 4.320 0.000 0.000 0.260 109 A C 0.522 178.094 177.584 -0.019 0.000 1.082 109 A CA -0.434 51.511 52.037 -0.154 0.000 0.765 109 A CB -1.550 17.421 19.000 -0.050 0.000 1.019 109 A HN 1.061 nan 8.150 nan 0.000 0.507 110 F N 0.455 120.449 119.950 0.072 0.000 3.100 110 F HA -0.274 4.253 4.527 0.000 0.000 0.283 110 F C 1.403 177.279 175.800 0.127 0.000 0.900 110 F CA 1.268 59.333 58.000 0.109 0.000 1.010 110 F CB -1.993 37.101 39.000 0.156 0.000 1.029 110 F HN 1.769 nan 8.300 nan 0.000 0.637 111 A N -1.123 121.771 122.820 0.125 0.000 2.832 111 A HA -0.167 4.153 4.320 0.000 0.000 0.280 111 A C 1.030 178.575 177.584 -0.066 0.000 1.464 111 A CA 1.335 53.394 52.037 0.036 0.000 0.804 111 A CB -1.638 17.390 19.000 0.048 0.000 1.020 111 A HN 0.871 nan 8.150 nan 0.000 0.563 112 S N -1.718 113.978 115.700 -0.007 0.000 2.816 112 S HA 0.596 5.066 4.470 0.000 0.000 0.253 112 S C 1.565 176.156 174.600 -0.014 0.000 1.055 112 S CA 0.110 58.269 58.200 -0.067 0.000 1.032 112 S CB 0.505 63.738 63.200 0.055 0.000 1.270 112 S HN 0.527 nan 8.310 nan 0.000 0.587 113 R N 0.751 121.258 120.500 0.013 0.000 2.115 113 R HA 0.094 4.434 4.340 0.000 0.000 0.226 113 R C -0.229 176.092 176.300 0.036 0.000 1.100 113 R CA 0.703 56.819 56.100 0.025 0.000 0.980 113 R CB -0.471 29.848 30.300 0.032 0.000 0.875 113 R HN 0.582 nan 8.270 nan 0.000 0.445 114 D N 3.215 123.641 120.400 0.044 0.000 2.426 114 D HA 0.033 4.673 4.640 0.000 0.000 0.261 114 D C -2.222 174.095 176.300 0.028 0.000 1.245 114 D CA -0.538 53.485 54.000 0.038 0.000 0.917 114 D CB 0.687 41.514 40.800 0.045 0.000 1.123 114 D HN 0.003 nan 8.370 nan 0.000 0.508 115 P HA -0.050 nan 4.420 nan 0.000 0.267 115 P C 0.353 177.662 177.300 0.016 0.000 1.200 115 P CA 0.055 63.171 63.100 0.026 0.000 0.772 115 P CB 0.584 32.300 31.700 0.028 0.000 0.855 116 T N -1.272 113.291 114.554 0.015 0.000 2.852 116 T HA 0.537 4.887 4.350 0.000 0.000 0.281 116 T C 1.044 175.754 174.700 0.018 0.000 0.993 116 T CA -0.270 61.835 62.100 0.008 0.000 0.933 116 T CB 0.758 69.626 68.868 0.000 0.000 1.187 116 T HN 0.247 nan 8.240 nan 0.000 0.559 117 A N 0.020 122.850 122.820 0.018 0.000 2.251 117 A HA 0.325 4.645 4.320 0.000 0.000 0.209 117 A C 1.200 178.847 177.584 0.104 0.000 1.187 117 A CA -0.242 51.812 52.037 0.030 0.000 0.823 117 A CB -0.937 18.044 19.000 -0.033 0.000 0.846 117 A HN 0.822 nan 8.150 nan 0.000 0.486 118 T N 1.125 115.729 114.554 0.084 0.000 2.932 118 T HA 0.410 4.760 4.350 0.000 0.000 0.312 118 T C -0.074 174.668 174.700 0.071 0.000 1.071 118 T CA 0.608 62.761 62.100 0.089 0.000 1.128 118 T CB 0.408 69.285 68.868 0.016 0.000 0.984 118 T HN 0.254 nan 8.240 nan 0.000 0.549 119 L N 2.576 123.823 121.223 0.040 0.000 2.354 119 L HA 0.465 4.805 4.340 0.000 0.000 0.269 119 L C 0.572 177.441 176.870 -0.002 0.000 1.005 119 L CA -1.248 53.604 54.840 0.021 0.000 0.819 119 L CB 1.317 43.377 42.059 0.002 0.000 1.311 119 L HN 0.519 nan 8.230 nan 0.000 0.423 120 N N 2.430 121.150 118.700 0.033 0.000 2.468 120 N HA 0.060 4.801 4.740 0.000 0.000 0.265 120 N C -1.925 173.577 175.510 -0.014 0.000 1.199 120 N CA -1.174 51.901 53.050 0.042 0.000 0.928 120 N CB 1.630 40.178 38.487 0.101 0.000 1.059 120 N HN 0.305 nan 8.380 nan 0.000 0.467 121 P HA -0.128 nan 4.420 nan 0.000 0.217 121 P C 0.702 177.831 177.300 -0.285 0.000 1.148 121 P CA 1.371 64.335 63.100 -0.226 0.000 0.828 121 P CB 0.100 31.597 31.700 -0.338 0.000 0.783 122 H N -2.717 116.343 119.070 -0.018 0.000 2.502 122 H HA 0.138 4.694 4.556 0.000 0.000 0.283 122 H C 0.553 175.868 175.328 -0.022 0.000 1.015 122 H CA 0.902 56.935 56.048 -0.025 0.000 1.298 122 H CB 0.072 29.811 29.762 -0.038 0.000 1.411 122 H HN 0.158 nan 8.280 nan 0.000 0.556 123 N N 0.362 119.112 118.700 0.082 0.000 3.193 123 N HA -0.074 4.667 4.740 0.000 0.000 0.234 123 N C 0.432 176.010 175.510 0.113 0.000 1.267 123 N CA 0.238 53.345 53.050 0.095 0.000 0.875 123 N CB 0.739 39.295 38.487 0.116 0.000 1.592 123 N HN 0.085 nan 8.380 nan 0.000 0.648 124 T N -0.977 113.608 114.554 0.052 0.000 3.118 124 T HA -0.006 4.344 4.350 0.000 0.000 0.269 124 T C 1.458 176.178 174.700 0.034 0.000 1.166 124 T CA 1.195 63.311 62.100 0.028 0.000 1.073 124 T CB -0.192 68.670 68.868 -0.009 0.000 0.884 124 T HN 0.434 nan 8.240 nan 0.000 0.550 125 G N -0.406 108.428 108.800 0.056 0.000 3.042 125 G HA2 0.184 4.144 3.960 0.000 0.000 0.212 125 G HA3 0.184 4.144 3.960 0.000 0.000 0.212 125 G C 0.265 175.025 174.900 -0.234 0.000 1.166 125 G CA -0.389 44.675 45.100 -0.060 0.000 0.767 125 G HN 0.571 nan 8.290 nan 0.000 0.546 126 H N -0.408 118.648 119.070 -0.022 0.000 2.731 126 H HA 0.411 4.967 4.556 0.000 0.000 0.368 126 H C -0.535 174.773 175.328 -0.033 0.000 1.168 126 H CA -0.585 55.437 56.048 -0.044 0.000 1.181 126 H CB 2.018 31.739 29.762 -0.069 0.000 1.743 126 H HN 0.096 nan 8.280 nan 0.000 0.547 127 S N 1.829 117.567 115.700 0.063 0.000 2.576 127 S HA 0.076 4.546 4.470 0.000 0.000 0.276 127 S C -1.631 173.025 174.600 0.094 0.000 1.339 127 S CA -1.115 57.120 58.200 0.059 0.000 1.039 127 S CB 0.618 63.852 63.200 0.055 0.000 0.902 127 S HN 0.532 nan 8.310 nan 0.000 0.516 128 P HA 0.278 nan 4.420 nan 0.000 0.261 128 P C 0.708 178.168 177.300 0.266 0.000 1.268 128 P CA 0.505 63.696 63.100 0.151 0.000 0.833 128 P CB -0.425 31.307 31.700 0.054 0.000 1.231 129 G N -0.869 108.136 108.800 0.342 0.000 2.685 129 G HA2 0.249 4.210 3.960 0.000 0.000 0.387 129 G HA3 0.249 4.210 3.960 0.000 0.000 0.387 129 G C -0.443 174.540 174.900 0.138 0.000 1.324 129 G CA -0.644 44.674 45.100 0.363 0.000 0.878 129 G HN 0.571 nan 8.290 nan 0.000 0.527 130 G N -2.478 106.370 108.800 0.080 0.000 2.559 130 G HA2 0.745 4.705 3.960 0.000 0.000 0.291 130 G HA3 0.745 4.705 3.960 0.000 0.000 0.291 130 G C 0.763 175.682 174.900 0.032 0.000 1.424 130 G CA 0.875 46.000 45.100 0.042 0.000 0.786 130 G HN 2.100 nan 8.290 nan 0.000 0.485 131 S N -1.220 114.495 115.700 0.025 0.000 2.528 131 S HA 0.085 4.555 4.470 0.000 0.000 0.219 131 S C 1.209 175.813 174.600 0.007 0.000 0.985 131 S CA 0.886 59.093 58.200 0.012 0.000 0.914 131 S CB 0.187 63.385 63.200 -0.003 0.000 0.776 131 S HN 0.473 nan 8.310 nan 0.000 0.526 132 S N 2.694 118.411 115.700 0.029 0.000 3.456 132 S HA 0.260 4.730 4.470 0.000 0.000 0.229 132 S C 1.158 175.671 174.600 -0.146 0.000 1.416 132 S CA -0.263 57.926 58.200 -0.018 0.000 1.197 132 S CB -0.369 62.906 63.200 0.125 0.000 1.201 132 S HN 0.513 nan 8.310 nan 0.000 0.479 133 S N 2.436 118.076 115.700 -0.099 0.000 2.359 133 S HA -0.150 4.320 4.470 0.000 0.000 0.222 133 S C 2.341 176.823 174.600 -0.196 0.000 1.038 133 S CA 1.555 59.691 58.200 -0.108 0.000 1.051 133 S CB -0.803 62.369 63.200 -0.047 0.000 0.944 133 S HN 0.737 nan 8.310 nan 0.000 0.433 134 G N 0.821 109.491 108.800 -0.216 0.000 2.432 134 G HA2 -0.146 3.814 3.960 0.000 0.000 0.219 134 G HA3 -0.146 3.814 3.960 0.000 0.000 0.219 134 G C 1.555 176.193 174.900 -0.436 0.000 1.135 134 G CA 1.083 46.000 45.100 -0.305 0.000 0.767 134 G HN 0.507 nan 8.290 nan 0.000 0.550 135 S N 0.843 116.255 115.700 -0.480 0.000 2.368 135 S HA 0.026 4.496 4.470 0.000 0.000 0.224 135 S C 2.793 176.894 174.600 -0.831 0.000 1.029 135 S CA 1.152 58.984 58.200 -0.613 0.000 0.988 135 S CB -0.309 62.530 63.200 -0.601 0.000 0.838 135 S HN 0.572 nan 8.310 nan 0.000 0.462 136 A N 1.595 123.819 122.820 -0.995 0.000 1.873 136 A HA 0.163 4.483 4.320 0.000 0.000 0.215 136 A C 2.365 179.771 177.584 -0.296 0.000 1.186 136 A CA 1.661 53.276 52.037 -0.704 0.000 0.616 136 A CB -1.172 17.581 19.000 -0.411 0.000 0.823 136 A HN 0.502 nan 8.150 nan 0.000 0.442 137 A N -0.082 122.588 122.820 -0.249 0.000 1.902 137 A HA 0.136 4.456 4.320 0.000 0.000 0.217 137 A C 2.519 180.001 177.584 -0.169 0.000 1.181 137 A CA 2.241 54.182 52.037 -0.161 0.000 0.623 137 A CB -1.075 17.843 19.000 -0.137 0.000 0.818 137 A HN 1.068 nan 8.150 nan 0.000 0.443 138 A N -0.693 121.987 122.820 -0.234 0.000 1.877 138 A HA -0.018 4.302 4.320 0.000 0.000 0.216 138 A C 2.245 179.766 177.584 -0.105 0.000 1.186 138 A CA 1.874 53.803 52.037 -0.180 0.000 0.620 138 A CB -0.937 17.859 19.000 -0.341 0.000 0.822 138 A HN 0.403 nan 8.150 nan 0.000 0.443 139 V N -0.209 119.633 119.914 -0.121 0.000 2.358 139 V HA -0.133 3.987 4.120 0.000 0.000 0.246 139 V C 2.774 178.848 176.094 -0.033 0.000 1.047 139 V CA 1.844 64.115 62.300 -0.048 0.000 1.035 139 V CB -1.267 30.554 31.823 -0.003 0.000 0.658 139 V HN 0.621 nan 8.190 nan 0.000 0.452 140 G N -0.456 108.316 108.800 -0.047 0.000 2.448 140 G HA2 -0.126 3.834 3.960 0.000 0.000 0.219 140 G HA3 -0.126 3.834 3.960 0.000 0.000 0.219 140 G C 1.467 176.298 174.900 -0.115 0.000 1.127 140 G CA 0.826 45.906 45.100 -0.032 0.000 0.766 140 G HN 0.617 nan 8.290 nan 0.000 0.552 141 A N -0.281 122.469 122.820 -0.117 0.000 2.251 141 A HA 0.481 4.801 4.320 0.000 0.000 0.209 141 A C 1.944 179.483 177.584 -0.074 0.000 1.187 141 A CA 1.168 53.132 52.037 -0.122 0.000 0.823 141 A CB -0.449 18.488 19.000 -0.104 0.000 0.846 141 A HN 1.530 nan 8.150 nan 0.000 0.486 142 G N -0.968 107.801 108.800 -0.052 0.000 2.160 142 G HA2 -0.335 3.625 3.960 0.000 0.000 0.251 142 G HA3 -0.335 3.625 3.960 0.000 0.000 0.251 142 G C 0.772 175.657 174.900 -0.024 0.000 1.008 142 G CA 0.724 45.805 45.100 -0.032 0.000 0.724 142 G HN 0.408 nan 8.290 nan 0.000 0.514 143 M N -0.544 119.047 119.600 -0.015 0.000 2.236 143 M HA 0.285 4.765 4.480 0.000 0.000 0.266 143 M C 1.484 177.785 176.300 0.001 0.000 1.070 143 M CA 1.577 56.878 55.300 0.002 0.000 1.137 143 M CB 0.017 32.659 32.600 0.070 0.000 1.378 143 M HN 0.585 nan 8.290 nan 0.000 0.426 144 I N -3.814 116.763 120.570 0.012 0.000 2.894 144 I HA 0.383 4.553 4.170 0.000 0.000 0.302 144 I C -2.416 173.700 176.117 -0.001 0.000 1.188 144 I CA -2.168 59.137 61.300 0.009 0.000 1.014 144 I CB 1.956 39.987 38.000 0.051 0.000 1.242 144 I HN -0.230 nan 8.210 nan 0.000 0.430 145 P HA 0.142 nan 4.420 nan 0.000 0.235 145 P C -0.149 177.151 177.300 -0.001 0.000 1.177 145 P CA 0.617 63.711 63.100 -0.010 0.000 0.785 145 P CB 0.832 32.521 31.700 -0.019 0.000 0.885 146 L N -0.938 120.291 121.223 0.011 0.000 2.518 146 L HA 0.758 5.098 4.340 0.000 0.000 0.257 146 L C -1.915 174.982 176.870 0.044 0.000 0.980 146 L CA -0.936 53.919 54.840 0.026 0.000 0.837 146 L CB 2.197 44.260 42.059 0.006 0.000 1.410 146 L HN -0.083 nan 8.230 nan 0.000 0.410 147 A N 3.651 126.524 122.820 0.088 0.000 2.574 147 A HA 0.779 5.099 4.320 0.000 0.000 0.297 147 A C -2.042 175.654 177.584 0.187 0.000 1.062 147 A CA -0.534 51.557 52.037 0.090 0.000 0.686 147 A CB 1.362 20.364 19.000 0.003 0.000 1.285 147 A HN 0.634 nan 8.150 nan 0.000 0.403 148 L N 1.447 122.750 121.223 0.134 0.000 2.325 148 L HA 0.792 5.132 4.340 0.000 0.000 0.278 148 L C 0.771 177.762 176.870 0.202 0.000 1.023 148 L CA -0.397 54.532 54.840 0.148 0.000 0.811 148 L CB 1.940 44.045 42.059 0.075 0.000 1.249 148 L HN 0.974 nan 8.230 nan 0.000 0.431 149 G N 0.469 109.422 108.800 0.256 0.000 2.921 149 G HA2 0.757 4.717 3.960 0.000 0.000 0.291 149 G HA3 0.757 4.717 3.960 0.000 0.000 0.291 149 G C -1.097 173.903 174.900 0.167 0.000 1.370 149 G CA -0.218 45.051 45.100 0.281 0.000 0.847 149 G HN 0.554 nan 8.290 nan 0.000 0.532 150 T N -2.927 111.719 114.554 0.153 0.000 2.864 150 T HA 0.725 5.075 4.350 0.000 0.000 0.299 150 T C -1.049 173.720 174.700 0.114 0.000 1.166 150 T CA -0.685 61.486 62.100 0.118 0.000 1.007 150 T CB 2.244 71.180 68.868 0.112 0.000 1.219 150 T HN 0.761 nan 8.240 nan 0.000 0.506 151 Q N -0.176 119.693 119.800 0.114 0.000 2.268 151 Q HA 0.551 4.891 4.340 0.000 0.000 0.266 151 Q C -0.671 175.406 176.000 0.127 0.000 1.006 151 Q CA -0.635 55.232 55.803 0.107 0.000 0.824 151 Q CB 2.090 30.890 28.738 0.103 0.000 1.306 151 Q HN 0.833 nan 8.270 nan 0.000 0.424 152 T N 1.450 116.061 114.554 0.095 0.000 3.026 152 T HA 0.269 4.619 4.350 0.000 0.000 0.245 152 T C 0.594 175.400 174.700 0.176 0.000 1.004 152 T CA 0.758 62.925 62.100 0.112 0.000 1.069 152 T CB 0.636 69.517 68.868 0.022 0.000 1.005 152 T HN 0.671 nan 8.240 nan 0.000 0.472 153 G N 0.460 109.317 108.800 0.094 0.000 2.451 153 G HA2 0.477 4.437 3.960 0.000 0.000 0.188 153 G HA3 0.477 4.437 3.960 0.000 0.000 0.188 153 G C 0.903 175.814 174.900 0.019 0.000 1.512 153 G CA 0.485 45.599 45.100 0.024 0.000 0.679 153 G HN 0.434 nan 8.290 nan 0.000 0.640 154 G N 0.229 109.042 108.800 0.023 0.000 4.530 154 G HA2 0.335 4.295 3.960 0.000 0.000 0.284 154 G HA3 0.335 4.295 3.960 0.000 0.000 0.284 154 G C 0.906 175.830 174.900 0.040 0.000 1.008 154 G CA 0.905 46.032 45.100 0.045 0.000 0.770 154 G HN 0.267 nan 8.290 nan 0.000 0.424 155 S N -0.052 115.677 115.700 0.048 0.000 2.528 155 S HA -0.057 4.413 4.470 0.000 0.000 0.244 155 S C 2.046 176.736 174.600 0.150 0.000 0.982 155 S CA 0.996 59.239 58.200 0.072 0.000 0.953 155 S CB 0.213 63.449 63.200 0.059 0.000 0.754 155 S HN 0.257 nan 8.310 nan 0.000 0.529 156 V N 0.442 120.426 119.914 0.117 0.000 2.854 156 V HA 0.113 4.233 4.120 0.000 0.000 0.236 156 V C 1.895 178.001 176.094 0.020 0.000 1.157 156 V CA 0.314 62.669 62.300 0.092 0.000 1.187 156 V CB -0.137 31.624 31.823 -0.103 0.000 0.949 156 V HN 0.334 nan 8.190 nan 0.000 0.488 157 I N 0.582 121.151 120.570 -0.002 0.000 2.252 157 I HA -0.157 4.013 4.170 0.000 0.000 0.245 157 I C 2.532 178.640 176.117 -0.014 0.000 1.102 157 I CA 1.648 62.943 61.300 -0.008 0.000 1.385 157 I CB -1.077 36.939 38.000 0.027 0.000 1.064 157 I HN 0.302 nan 8.210 nan 0.000 0.414 158 R N 1.331 121.799 120.500 -0.053 0.000 2.070 158 R HA -0.114 4.226 4.340 0.000 0.000 0.233 158 R C -0.430 175.647 176.300 -0.372 0.000 1.137 158 R CA 1.785 57.733 56.100 -0.254 0.000 0.945 158 R CB -1.056 29.078 30.300 -0.278 0.000 0.845 158 R HN 0.231 nan 8.270 nan 0.000 0.430 159 P HA -0.083 nan 4.420 nan 0.000 0.221 159 P C 0.772 178.153 177.300 0.135 0.000 1.150 159 P CA 1.686 64.788 63.100 0.003 0.000 0.800 159 P CB 0.022 31.761 31.700 0.064 0.000 0.787 160 A N 0.855 123.828 122.820 0.255 0.000 1.898 160 A HA -0.033 4.287 4.320 0.000 0.000 0.216 160 A C 2.528 180.199 177.584 0.146 0.000 1.181 160 A CA 2.088 54.304 52.037 0.298 0.000 0.620 160 A CB -1.528 17.613 19.000 0.234 0.000 0.819 160 A HN 0.223 nan 8.150 nan 0.000 0.442 161 A N -1.121 121.737 122.820 0.063 0.000 1.877 161 A HA -0.146 4.174 4.320 0.000 0.000 0.216 161 A C 2.142 179.829 177.584 0.171 0.000 1.186 161 A CA 1.492 53.567 52.037 0.064 0.000 0.620 161 A CB -1.000 18.003 19.000 0.006 0.000 0.822 161 A HN 0.677 nan 8.150 nan 0.000 0.443 162 Y N -1.149 119.185 120.300 0.057 0.000 2.256 162 Y HA -0.275 4.275 4.550 0.000 0.000 0.288 162 Y C 2.295 178.232 175.900 0.062 0.000 1.155 162 Y CA 0.703 58.828 58.100 0.042 0.000 1.203 162 Y CB -0.224 38.271 38.460 0.058 0.000 0.980 162 Y HN 0.379 nan 8.280 nan 0.000 0.530 163 C N -0.363 119.094 119.300 0.262 0.000 2.791 163 C HA 0.326 4.786 4.460 0.000 0.000 0.270 163 C C 1.645 176.809 174.990 0.290 0.000 1.257 163 C CA 0.467 59.650 59.018 0.275 0.000 1.699 163 C CB -0.688 27.149 27.740 0.161 0.000 1.904 163 C HN 0.779 nan 8.230 nan 0.000 0.603 164 G N 2.554 111.432 108.800 0.131 0.000 2.273 164 G HA2 -0.208 3.752 3.960 0.000 0.000 0.280 164 G HA3 -0.208 3.752 3.960 0.000 0.000 0.280 164 G C 0.116 175.081 174.900 0.109 0.000 1.047 164 G CA 0.799 45.938 45.100 0.065 0.000 0.869 164 G HN 0.699 nan 8.290 nan 0.000 0.502 165 T N -2.801 111.827 114.554 0.124 0.000 2.942 165 T HA 0.876 5.226 4.350 0.000 0.000 0.289 165 T C 0.403 175.152 174.700 0.082 0.000 1.044 165 T CA 0.338 62.507 62.100 0.115 0.000 1.023 165 T CB 2.252 71.225 68.868 0.175 0.000 1.123 165 T HN 1.722 nan 8.240 nan 0.000 0.512 166 A N 0.999 123.843 122.820 0.039 0.000 2.322 166 A HA 0.842 5.162 4.320 0.000 0.000 0.269 166 A C 0.352 177.913 177.584 -0.038 0.000 1.094 166 A CA -0.241 51.786 52.037 -0.016 0.000 0.807 166 A CB -0.225 18.742 19.000 -0.055 0.000 1.047 166 A HN 1.841 nan 8.150 nan 0.000 0.487 167 A N 0.847 123.597 122.820 -0.118 0.000 2.605 167 A HA 0.675 4.996 4.320 0.000 0.000 0.294 167 A C -1.159 176.281 177.584 -0.241 0.000 1.062 167 A CA -0.230 51.636 52.037 -0.285 0.000 0.682 167 A CB 0.790 19.490 19.000 -0.500 0.000 1.278 167 A HN 1.669 nan 8.150 nan 0.000 0.410 168 I N 0.722 121.123 120.570 -0.282 0.000 2.607 168 I HA 0.527 4.697 4.170 0.000 0.000 0.290 168 I C -0.834 175.189 176.117 -0.156 0.000 1.129 168 I CA -0.528 60.670 61.300 -0.170 0.000 1.042 168 I CB 1.770 39.703 38.000 -0.111 0.000 1.242 168 I HN 0.664 nan 8.210 nan 0.000 0.421 169 K N 9.092 129.448 120.400 -0.074 0.000 2.354 169 K HA 0.526 4.846 4.320 0.000 0.000 0.257 169 K C -2.690 173.936 176.600 0.044 0.000 1.062 169 K CA -1.697 54.586 56.287 -0.007 0.000 0.971 169 K CB 1.123 33.652 32.500 0.049 0.000 1.305 169 K HN 0.277 nan 8.250 nan 0.000 0.449 170 P HA -0.014 nan 4.420 nan 0.000 0.272 170 P C -0.572 176.799 177.300 0.119 0.000 1.254 170 P CA -0.268 62.869 63.100 0.062 0.000 0.795 170 P CB 0.462 32.184 31.700 0.036 0.000 1.022 171 S N -0.102 115.648 115.700 0.082 0.000 2.558 171 S HA 0.000 4.471 4.470 0.000 0.000 0.293 171 S C 0.169 174.946 174.600 0.294 0.000 1.292 171 S CA -0.107 58.164 58.200 0.117 0.000 1.063 171 S CB -0.683 62.314 63.200 -0.338 0.000 0.831 171 S HN 0.291 nan 8.310 nan 0.000 0.499 172 F N 3.980 124.169 119.950 0.397 0.000 2.623 172 F HA -0.024 4.503 4.527 -0.001 0.000 0.386 172 F C 1.533 177.506 175.800 0.288 0.000 1.068 172 F CA 0.493 58.686 58.000 0.322 0.000 1.265 172 F CB -0.096 39.085 39.000 0.303 0.000 1.026 172 F HN 0.780 nan 8.300 nan 0.000 0.568 173 R N 2.822 122.970 120.500 -0.587 0.000 4.010 173 R HA -0.318 4.022 4.340 0.000 0.000 0.409 173 R C 1.585 177.797 176.300 -0.147 0.000 1.120 173 R CA 1.299 57.106 56.100 -0.488 0.000 1.244 173 R CB -1.849 28.082 30.300 -0.615 0.000 1.799 173 R HN 0.863 nan 8.270 nan 0.000 0.559 174 M N 0.612 120.183 119.600 -0.049 0.000 2.117 174 M HA -0.051 4.429 4.480 0.000 0.000 0.262 174 M C 0.353 176.646 176.300 -0.013 0.000 1.065 174 M CA 1.680 56.972 55.300 -0.012 0.000 1.114 174 M CB 0.282 32.890 32.600 0.014 0.000 1.361 174 M HN 0.141 nan 8.290 nan 0.000 0.408 175 L N 2.330 123.540 121.223 -0.021 0.000 2.289 175 L HA 0.400 4.740 4.340 0.000 0.000 0.285 175 L C -2.041 174.812 176.870 -0.028 0.000 1.049 175 L CA -2.293 52.538 54.840 -0.016 0.000 0.804 175 L CB 0.825 42.877 42.059 -0.011 0.000 1.195 175 L HN 0.092 nan 8.230 nan 0.000 0.428 176 P HA 0.055 nan 4.420 nan 0.000 0.271 176 P C 0.188 177.491 177.300 0.005 0.000 1.218 176 P CA -0.252 62.840 63.100 -0.014 0.000 0.780 176 P CB 0.903 32.602 31.700 -0.002 0.000 0.901 177 T N -2.136 112.427 114.554 0.014 0.000 3.145 177 T HA 0.144 4.494 4.350 0.000 0.000 0.255 177 T C 0.708 175.442 174.700 0.056 0.000 1.039 177 T CA -0.326 61.804 62.100 0.049 0.000 0.928 177 T CB -0.495 68.421 68.868 0.080 0.000 1.029 177 T HN 0.085 nan 8.240 nan 0.000 0.554 178 V N 2.131 122.068 119.914 0.038 0.000 2.673 178 V HA 0.412 4.532 4.120 0.000 0.000 0.303 178 V C 1.699 177.822 176.094 0.048 0.000 1.046 178 V CA 1.118 63.441 62.300 0.039 0.000 1.126 178 V CB -0.171 31.668 31.823 0.026 0.000 0.934 178 V HN 0.845 nan 8.190 nan 0.000 0.487 179 G N 3.618 112.452 108.800 0.057 0.000 2.160 179 G HA2 -0.192 3.768 3.960 0.000 0.000 0.251 179 G HA3 -0.192 3.768 3.960 0.000 0.000 0.251 179 G C -0.111 174.833 174.900 0.074 0.000 1.008 179 G CA 0.124 45.265 45.100 0.068 0.000 0.724 179 G HN 0.875 nan 8.290 nan 0.000 0.514 180 V N 0.387 120.348 119.914 0.079 0.000 2.376 180 V HA 0.461 4.581 4.120 0.000 0.000 0.287 180 V C 0.612 176.768 176.094 0.102 0.000 1.015 180 V CA -1.320 61.032 62.300 0.087 0.000 0.834 180 V CB 1.643 33.520 31.823 0.090 0.000 1.001 180 V HN 0.364 nan 8.190 nan 0.000 0.428 181 K N 3.678 124.135 120.400 0.095 0.000 2.441 181 K HA -0.049 4.271 4.320 0.000 0.000 0.273 181 K C -0.202 176.492 176.600 0.156 0.000 1.090 181 K CA 0.461 56.810 56.287 0.104 0.000 1.158 181 K CB -0.329 32.225 32.500 0.090 0.000 0.847 181 K HN 0.802 nan 8.250 nan 0.000 0.483 182 C N 6.032 125.427 119.300 0.158 0.000 2.527 182 C HA 0.335 4.795 4.460 0.000 0.000 0.396 182 C C 0.964 176.076 174.990 0.203 0.000 1.289 182 C CA -0.543 58.598 59.018 0.204 0.000 2.047 182 C CB -0.651 27.227 27.740 0.231 0.000 2.568 182 C HN 0.946 nan 8.230 nan 0.000 0.573 183 Y N 3.030 123.393 120.300 0.105 0.000 2.594 183 Y HA 0.323 4.873 4.550 -0.000 0.000 0.283 183 Y C 1.160 177.043 175.900 -0.029 0.000 1.140 183 Y CA 0.886 59.009 58.100 0.037 0.000 1.261 183 Y CB 0.104 38.589 38.460 0.042 0.000 1.358 183 Y HN 0.633 nan 8.280 nan 0.000 0.513 184 S N 0.214 116.030 115.700 0.193 0.000 2.737 184 S HA 0.169 4.639 4.470 0.000 0.000 0.269 184 S C -0.227 174.406 174.600 0.055 0.000 1.150 184 S CA -0.580 57.585 58.200 -0.058 0.000 1.077 184 S CB -0.453 62.724 63.200 -0.038 0.000 1.075 184 S HN 0.445 nan 8.310 nan 0.000 0.476 185 W N 4.164 125.548 121.300 0.141 0.000 2.465 185 W HA 0.181 4.840 4.660 -0.002 0.000 0.268 185 W C 1.449 178.129 176.519 0.268 0.000 1.242 185 W CA 0.874 58.331 57.345 0.187 0.000 1.248 185 W CB -0.655 28.890 29.460 0.142 0.000 1.118 185 W HN 0.678 nan 8.180 nan 0.000 0.587 186 A N 0.392 123.191 122.820 -0.035 0.000 2.119 186 A HA 0.167 4.487 4.320 0.000 0.000 0.216 186 A C 1.930 179.428 177.584 -0.144 0.000 1.152 186 A CA 1.154 53.190 52.037 -0.001 0.000 0.708 186 A CB -0.369 18.531 19.000 -0.166 0.000 0.805 186 A HN 0.470 nan 8.150 nan 0.000 0.460 187 L N -1.472 119.747 121.223 -0.006 0.000 2.600 187 L HA 0.150 4.490 4.340 0.000 0.000 0.213 187 L C -0.377 176.654 176.870 0.269 0.000 1.045 187 L CA -0.362 54.484 54.840 0.010 0.000 0.863 187 L CB -0.301 41.747 42.059 -0.018 0.000 1.189 187 L HN 0.028 nan 8.230 nan 0.000 0.484 188 D N 2.392 122.971 120.400 0.298 0.000 2.662 188 D HA 0.041 4.681 4.640 0.000 0.000 0.233 188 D C -0.160 176.351 176.300 0.353 0.000 1.129 188 D CA 1.013 55.190 54.000 0.294 0.000 0.851 188 D CB 0.488 41.446 40.800 0.264 0.000 1.152 188 D HN 0.072 nan 8.370 nan 0.000 0.507 189 T N 1.339 116.054 114.554 0.269 0.000 2.921 189 T HA 0.327 4.677 4.350 0.000 0.000 0.297 189 T C 0.097 174.881 174.700 0.140 0.000 1.013 189 T CA -0.750 61.490 62.100 0.233 0.000 0.990 189 T CB 1.695 70.747 68.868 0.307 0.000 1.023 189 T HN -0.010 nan 8.240 nan 0.000 0.447 190 V N 2.561 122.531 119.914 0.093 0.000 2.686 190 V HA 0.686 4.806 4.120 0.000 0.000 0.295 190 V C 0.935 177.049 176.094 0.032 0.000 1.055 190 V CA 0.020 62.358 62.300 0.063 0.000 1.050 190 V CB 1.224 33.072 31.823 0.041 0.000 0.984 190 V HN 1.087 nan 8.190 nan 0.000 0.482 191 G N 3.436 112.241 108.800 0.009 0.000 2.658 191 G HA2 0.739 4.699 3.960 0.000 0.000 0.292 191 G HA3 0.739 4.699 3.960 0.000 0.000 0.292 191 G C -1.844 172.986 174.900 -0.116 0.000 1.320 191 G CA -0.707 44.344 45.100 -0.081 0.000 0.933 191 G HN 0.446 nan 8.290 nan 0.000 0.476 192 L N -0.543 120.539 121.223 -0.235 0.000 2.370 192 L HA 0.682 5.022 4.340 0.000 0.000 0.266 192 L C -1.093 175.555 176.870 -0.370 0.000 1.002 192 L CA -0.504 54.227 54.840 -0.181 0.000 0.818 192 L CB 1.985 43.969 42.059 -0.126 0.000 1.325 192 L HN 0.418 nan 8.230 nan 0.000 0.418 193 F N 0.414 120.337 119.950 -0.044 0.000 2.495 193 F HA 0.852 5.379 4.527 0.000 0.000 0.327 193 F C 0.706 176.475 175.800 -0.052 0.000 1.103 193 F CA -0.473 57.501 58.000 -0.044 0.000 0.949 193 F CB 2.287 41.262 39.000 -0.043 0.000 1.142 193 F HN 0.484 nan 8.300 nan 0.000 0.457 194 G N 0.178 109.041 108.800 0.104 0.000 2.645 194 G HA2 0.521 4.481 3.960 0.000 0.000 0.292 194 G HA3 0.521 4.481 3.960 0.000 0.000 0.292 194 G C -0.104 174.803 174.900 0.011 0.000 1.415 194 G CA -0.206 44.912 45.100 0.030 0.000 0.785 194 G HN 0.782 nan 8.290 nan 0.000 0.483 195 A N -0.463 122.343 122.820 -0.023 0.000 1.855 195 A HA 0.309 4.629 4.320 0.000 0.000 0.215 195 A C 1.385 178.931 177.584 -0.062 0.000 1.191 195 A CA 1.161 53.178 52.037 -0.032 0.000 0.613 195 A CB -0.179 18.794 19.000 -0.045 0.000 0.829 195 A HN 0.605 nan 8.150 nan 0.000 0.442 196 R N -3.822 116.606 120.500 -0.120 0.000 2.855 196 R HA 0.581 4.921 4.340 0.000 0.000 0.266 196 R C 1.005 177.169 176.300 -0.227 0.000 1.034 196 R CA -0.146 55.846 56.100 -0.179 0.000 0.944 196 R CB 1.277 31.422 30.300 -0.259 0.000 1.219 196 R HN 0.177 nan 8.270 nan 0.000 0.474 197 A N 0.799 123.475 122.820 -0.241 0.000 1.917 197 A HA -0.259 4.061 4.320 0.000 0.000 0.219 197 A C 1.893 179.304 177.584 -0.288 0.000 1.182 197 A CA 2.199 54.118 52.037 -0.197 0.000 0.633 197 A CB -0.576 18.372 19.000 -0.086 0.000 0.819 197 A HN 0.891 nan 8.150 nan 0.000 0.448 198 E N -0.242 119.583 120.200 -0.626 0.000 2.110 198 E HA -0.242 4.108 4.350 0.000 0.000 0.193 198 E C 1.123 177.524 176.600 -0.332 0.000 0.988 198 E CA 1.369 57.349 56.400 -0.699 0.000 0.804 198 E CB -0.199 28.697 29.700 -1.339 0.000 0.745 198 E HN 0.615 nan 8.360 nan 0.000 0.458 199 D N 0.629 120.861 120.400 -0.281 0.000 2.144 199 D HA -0.144 4.496 4.640 0.000 0.000 0.200 199 D C 2.170 178.389 176.300 -0.135 0.000 0.978 199 D CA 0.805 54.704 54.000 -0.168 0.000 0.833 199 D CB -0.096 40.623 40.800 -0.135 0.000 0.961 199 D HN 0.325 nan 8.370 nan 0.000 0.470 200 L N 0.834 121.971 121.223 -0.143 0.000 2.093 200 L HA -0.101 4.239 4.340 0.000 0.000 0.208 200 L C 2.664 179.442 176.870 -0.155 0.000 1.085 200 L CA 0.920 55.678 54.840 -0.137 0.000 0.755 200 L CB -0.468 41.514 42.059 -0.127 0.000 0.904 200 L HN -0.040 nan 8.230 nan 0.000 0.435 201 A N 0.009 122.768 122.820 -0.100 0.000 1.877 201 A HA -0.178 4.142 4.320 0.000 0.000 0.216 201 A C 2.416 179.961 177.584 -0.065 0.000 1.186 201 A CA 1.266 53.283 52.037 -0.033 0.000 0.620 201 A CB -0.416 18.649 19.000 0.108 0.000 0.822 201 A HN 0.237 nan 8.150 nan 0.000 0.443 202 R N -0.668 119.800 120.500 -0.054 0.000 2.096 202 R HA -0.114 4.226 4.340 0.000 0.000 0.235 202 R C 2.353 178.607 176.300 -0.076 0.000 1.127 202 R CA 1.274 57.352 56.100 -0.038 0.000 0.968 202 R CB -1.103 29.175 30.300 -0.037 0.000 0.861 202 R HN 0.557 nan 8.270 nan 0.000 0.440 203 G N 1.039 109.771 108.800 -0.114 0.000 2.414 203 G HA2 -0.199 3.761 3.960 0.000 0.000 0.215 203 G HA3 -0.199 3.761 3.960 0.000 0.000 0.215 203 G C 1.590 176.378 174.900 -0.187 0.000 1.188 203 G CA 0.224 45.250 45.100 -0.123 0.000 0.783 203 G HN 0.181 nan 8.290 nan 0.000 0.537 204 L N -0.176 120.844 121.223 -0.338 0.000 2.131 204 L HA -0.008 4.332 4.340 0.000 0.000 0.210 204 L C 2.669 179.278 176.870 -0.436 0.000 1.092 204 L CA 0.321 54.813 54.840 -0.579 0.000 0.759 204 L CB -0.324 40.970 42.059 -1.276 0.000 0.903 204 L HN 0.238 nan 8.230 nan 0.000 0.435 205 L N 0.238 121.325 121.223 -0.228 0.000 2.027 205 L HA -0.111 4.229 4.340 0.000 0.000 0.206 205 L C 2.621 179.498 176.870 0.011 0.000 1.074 205 L CA 2.077 56.935 54.840 0.031 0.000 0.745 205 L CB -0.734 41.383 42.059 0.097 0.000 0.898 205 L HN 0.111 nan 8.230 nan 0.000 0.433 206 A N -0.715 122.089 122.820 -0.026 0.000 1.933 206 A HA -0.199 4.121 4.320 0.000 0.000 0.218 206 A C 2.269 179.841 177.584 -0.019 0.000 1.175 206 A CA 2.102 54.131 52.037 -0.014 0.000 0.628 206 A CB -0.541 18.447 19.000 -0.021 0.000 0.814 206 A HN 0.559 nan 8.150 nan 0.000 0.444 207 M N -0.567 119.003 119.600 -0.049 0.000 2.156 207 M HA -0.098 4.382 4.480 0.000 0.000 0.264 207 M C 2.380 178.670 176.300 -0.017 0.000 1.067 207 M CA 1.980 57.255 55.300 -0.042 0.000 1.131 207 M CB -0.347 32.209 32.600 -0.074 0.000 1.368 207 M HN 0.689 nan 8.290 nan 0.000 0.416 208 T N -3.875 110.675 114.554 -0.007 0.000 3.033 208 T HA 0.284 4.634 4.350 0.000 0.000 0.248 208 T C 1.563 176.308 174.700 0.075 0.000 1.040 208 T CA 0.813 62.943 62.100 0.050 0.000 1.133 208 T CB 0.109 69.047 68.868 0.116 0.000 0.895 208 T HN 0.548 nan 8.240 nan 0.000 0.465 209 G N 2.121 110.974 108.800 0.088 0.000 2.143 209 G HA2 -0.255 3.705 3.960 0.000 0.000 0.249 209 G HA3 -0.255 3.705 3.960 0.000 0.000 0.249 209 G C 0.088 175.046 174.900 0.098 0.000 0.981 209 G CA -0.051 45.097 45.100 0.079 0.000 0.665 209 G HN 0.722 nan 8.290 nan 0.000 0.528 210 R N 0.804 121.403 120.500 0.164 0.000 2.298 210 R HA 0.433 4.774 4.340 0.000 0.000 0.310 210 R C 1.974 178.314 176.300 0.067 0.000 1.068 210 R CA 0.331 56.496 56.100 0.108 0.000 0.957 210 R CB 0.896 31.263 30.300 0.111 0.000 1.003 210 R HN 0.439 nan 8.270 nan 0.000 0.454 211 S N 2.510 118.212 115.700 0.002 0.000 2.420 211 S HA -0.249 4.221 4.470 0.000 0.000 0.237 211 S C 1.453 176.012 174.600 -0.069 0.000 1.023 211 S CA 1.569 59.761 58.200 -0.012 0.000 0.991 211 S CB -0.273 62.914 63.200 -0.022 0.000 0.792 211 S HN 0.796 nan 8.310 nan 0.000 0.488 212 E N 0.499 120.579 120.200 -0.200 0.000 2.267 212 E HA -0.144 4.206 4.350 0.000 0.000 0.197 212 E C 1.139 177.520 176.600 -0.365 0.000 0.998 212 E CA 1.024 57.221 56.400 -0.339 0.000 0.830 212 E CB -0.670 28.710 29.700 -0.534 0.000 0.751 212 E HN 0.752 nan 8.360 nan 0.000 0.491 213 F N 1.147 121.104 119.950 0.013 0.000 2.727 213 F HA 0.181 4.708 4.527 -0.000 0.000 0.302 213 F C 1.203 177.026 175.800 0.037 0.000 1.097 213 F CA -0.408 57.606 58.000 0.025 0.000 1.330 213 F CB 0.873 39.880 39.000 0.013 0.000 1.084 213 F HN -0.127 nan 8.300 nan 0.000 0.578 214 S N -0.268 115.523 115.700 0.150 0.000 2.525 214 S HA 0.474 4.944 4.470 0.000 0.000 0.278 214 S C 0.911 175.564 174.600 0.089 0.000 1.234 214 S CA 0.248 58.515 58.200 0.113 0.000 1.058 214 S CB 0.893 64.138 63.200 0.075 0.000 0.983 214 S HN 0.622 nan 8.310 nan 0.000 0.495 215 G N 3.917 112.776 108.800 0.098 0.000 2.153 215 G HA2 -0.224 3.736 3.960 0.000 0.000 0.252 215 G HA3 -0.224 3.736 3.960 0.000 0.000 0.252 215 G C 0.160 175.117 174.900 0.095 0.000 0.994 215 G CA 0.244 45.393 45.100 0.081 0.000 0.698 215 G HN 0.752 nan 8.290 nan 0.000 0.521 216 I N 0.322 120.987 120.570 0.159 0.000 2.618 216 I HA 0.303 4.474 4.170 0.000 0.000 0.284 216 I C 0.701 176.934 176.117 0.193 0.000 1.146 216 I CA 0.197 61.613 61.300 0.193 0.000 1.425 216 I CB 0.866 39.040 38.000 0.289 0.000 1.383 216 I HN -0.056 nan 8.210 nan 0.000 0.562 217 V N 6.945 126.846 119.914 -0.021 0.000 3.078 217 V HA 0.349 4.469 4.120 0.000 0.000 0.311 217 V C -2.343 173.461 176.094 -0.484 0.000 1.138 217 V CA -1.845 60.196 62.300 -0.432 0.000 1.007 217 V CB 2.024 33.672 31.823 -0.291 0.000 1.045 217 V HN 0.577 nan 8.190 nan 0.000 0.432 218 P HA 0.110 nan 4.420 nan 0.000 0.263 218 P C -0.282 176.921 177.300 -0.163 0.000 1.175 218 P CA 0.529 63.326 63.100 -0.504 0.000 0.761 218 P CB 0.280 31.599 31.700 -0.636 0.000 0.794 219 A N 4.211 127.025 122.820 -0.010 0.000 2.310 219 A HA 0.360 4.680 4.320 0.000 0.000 0.260 219 A C 0.088 177.587 177.584 -0.142 0.000 1.112 219 A CA 0.125 52.129 52.037 -0.055 0.000 0.804 219 A CB 0.278 19.247 19.000 -0.052 0.000 1.081 219 A HN 0.505 nan 8.150 nan 0.000 0.499 220 K N -0.397 119.873 120.400 -0.216 0.000 2.371 220 K HA 0.567 4.887 4.320 0.000 0.000 0.251 220 K C -0.182 176.211 176.600 -0.344 0.000 0.934 220 K CA -0.216 55.928 56.287 -0.238 0.000 0.798 220 K CB 1.955 34.388 32.500 -0.112 0.000 1.204 220 K HN 1.434 nan 8.250 nan 0.000 0.427 221 A N 2.169 124.765 122.820 -0.374 0.000 2.151 221 A HA -0.146 4.174 4.320 0.000 0.000 0.271 221 A C -2.273 175.130 177.584 -0.301 0.000 1.348 221 A CA -0.135 51.728 52.037 -0.289 0.000 0.763 221 A CB -1.862 17.065 19.000 -0.123 0.000 1.117 221 A HN 0.374 nan 8.150 nan 0.000 0.342 222 P HA 0.310 nan 4.420 nan 0.000 0.272 222 P C 0.131 177.360 177.300 -0.118 0.000 1.230 222 P CA -0.197 62.751 63.100 -0.253 0.000 0.788 222 P CB 0.486 31.983 31.700 -0.338 0.000 0.949 223 R N 1.875 122.360 120.500 -0.025 0.000 2.233 223 R HA 0.417 4.757 4.340 0.000 0.000 0.334 223 R C -0.325 175.985 176.300 0.016 0.000 1.037 223 R CA -0.321 55.778 56.100 -0.003 0.000 0.920 223 R CB -0.031 30.276 30.300 0.011 0.000 1.137 223 R HN 0.463 nan 8.270 nan 0.000 0.492 224 I N 1.291 121.863 120.570 0.003 0.000 2.359 224 I HA 0.328 4.499 4.170 0.000 0.000 0.294 224 I C 0.803 176.908 176.117 -0.020 0.000 0.987 224 I CA -0.573 60.727 61.300 0.001 0.000 1.225 224 I CB 1.958 39.967 38.000 0.015 0.000 1.366 224 I HN 0.573 nan 8.210 nan 0.000 0.466 225 G N 5.801 114.575 108.800 -0.043 0.000 2.522 225 G HA2 0.506 4.466 3.960 0.000 0.000 0.318 225 G HA3 0.506 4.466 3.960 0.000 0.000 0.318 225 G C -0.598 174.260 174.900 -0.070 0.000 1.192 225 G CA -0.350 44.714 45.100 -0.061 0.000 0.988 225 G HN 0.354 nan 8.290 nan 0.000 0.480 226 V N 3.153 123.031 119.914 -0.061 0.000 2.470 226 V HA 0.303 4.423 4.120 0.000 0.000 0.276 226 V C 0.546 176.601 176.094 -0.065 0.000 1.040 226 V CA -0.289 61.962 62.300 -0.083 0.000 1.008 226 V CB 0.870 32.641 31.823 -0.086 0.000 0.990 226 V HN 0.682 nan 8.190 nan 0.000 0.477 227 V N 3.442 123.315 119.914 -0.069 0.000 2.487 227 V HA 0.586 4.707 4.120 0.000 0.000 0.298 227 V C 0.433 176.491 176.094 -0.059 0.000 1.028 227 V CA -0.795 61.511 62.300 0.009 0.000 0.860 227 V CB 1.504 33.418 31.823 0.151 0.000 0.991 227 V HN 0.736 nan 8.190 nan 0.000 0.427 228 R N 1.571 122.040 120.500 -0.051 0.000 2.359 228 R HA 0.261 4.601 4.340 0.000 0.000 0.231 228 R C 0.046 176.353 176.300 0.012 0.000 0.913 228 R CA -0.079 55.998 56.100 -0.038 0.000 1.075 228 R CB 0.137 30.459 30.300 0.038 0.000 1.087 228 R HN 0.943 nan 8.270 nan 0.000 0.515 229 Q N 0.526 120.213 119.800 -0.189 0.000 2.443 229 Q HA -0.227 4.113 4.340 0.000 0.000 0.337 229 Q C -0.157 175.146 176.000 -1.163 0.000 1.401 229 Q CA 0.459 55.650 55.803 -1.021 0.000 0.943 229 Q CB -0.867 27.416 28.738 -0.758 0.000 1.177 229 Q HN 0.305 nan 8.270 nan 0.000 0.394 230 E N -0.131 119.678 120.200 -0.651 0.000 2.209 230 E HA -0.193 4.157 4.350 0.000 0.000 0.196 230 E C 1.223 177.508 176.600 -0.526 0.000 0.993 230 E CA 1.853 58.020 56.400 -0.389 0.000 0.819 230 E CB -0.328 29.295 29.700 -0.128 0.000 0.745 230 E HN 0.783 nan 8.360 nan 0.000 0.477 231 F N -0.619 118.982 119.950 -0.582 0.000 2.269 231 F HA 0.016 4.544 4.527 0.001 0.000 0.301 231 F C 2.002 177.179 175.800 -1.039 0.000 1.082 231 F CA 0.753 58.301 58.000 -0.754 0.000 1.360 231 F CB -0.776 37.634 39.000 -0.983 0.000 1.041 231 F HN -0.000 nan 8.300 nan 0.000 0.512 232 A N 0.315 122.310 122.820 -1.373 0.000 2.251 232 A HA 0.532 4.852 4.320 0.000 0.000 0.209 232 A C 1.436 178.728 177.584 -0.488 0.000 1.187 232 A CA 0.557 51.949 52.037 -1.074 0.000 0.823 232 A CB -1.204 17.053 19.000 -1.238 0.000 0.846 232 A HN 0.976 nan 8.150 nan 0.000 0.486 233 G N -1.796 106.799 108.800 -0.342 0.000 2.712 233 G HA2 0.378 4.338 3.960 0.000 0.000 0.683 233 G HA3 0.378 4.338 3.960 0.000 0.000 0.683 233 G C 0.042 174.929 174.900 -0.021 0.000 1.320 233 G CA -0.434 44.590 45.100 -0.127 0.000 0.847 233 G HN 1.580 nan 8.290 nan 0.000 0.553 234 A N -0.670 122.145 122.820 -0.009 0.000 2.386 234 A HA 0.716 5.036 4.320 0.000 0.000 0.248 234 A C 0.912 178.477 177.584 -0.031 0.000 1.082 234 A CA 0.632 52.656 52.037 -0.022 0.000 0.789 234 A CB 1.218 20.201 19.000 -0.029 0.000 1.025 234 A HN 2.198 nan 8.150 nan 0.000 0.490 235 V N 1.131 120.915 119.914 -0.217 0.000 3.109 235 V HA 0.275 4.395 4.120 0.000 0.000 0.317 235 V C 0.488 176.443 176.094 -0.230 0.000 1.074 235 V CA -0.618 61.458 62.300 -0.374 0.000 1.033 235 V CB 1.497 32.682 31.823 -1.063 0.000 1.111 235 V HN 1.045 nan 8.190 nan 0.000 0.458 236 E N 3.536 123.620 120.200 -0.193 0.000 2.383 236 E HA 0.166 4.516 4.350 0.000 0.000 0.264 236 E C -1.775 174.754 176.600 -0.118 0.000 1.050 236 E CA -1.124 55.210 56.400 -0.110 0.000 0.896 236 E CB 0.861 30.520 29.700 -0.067 0.000 0.982 236 E HN 0.488 nan 8.360 nan 0.000 0.424 237 P HA -0.335 nan 4.420 nan 0.000 0.217 237 P C 0.953 178.225 177.300 -0.048 0.000 1.162 237 P CA 2.117 65.186 63.100 -0.051 0.000 0.901 237 P CB 0.102 31.782 31.700 -0.034 0.000 0.793 238 A N -0.366 122.425 122.820 -0.048 0.000 1.917 238 A HA -0.218 4.102 4.320 0.000 0.000 0.219 238 A C 2.349 179.912 177.584 -0.034 0.000 1.182 238 A CA 2.536 54.549 52.037 -0.040 0.000 0.633 238 A CB -1.677 17.297 19.000 -0.044 0.000 0.819 238 A HN 0.231 nan 8.150 nan 0.000 0.448 239 A N -0.528 122.251 122.820 -0.067 0.000 1.933 239 A HA -0.125 4.195 4.320 0.000 0.000 0.218 239 A C 1.989 179.598 177.584 0.043 0.000 1.175 239 A CA 2.141 54.140 52.037 -0.063 0.000 0.628 239 A CB -0.432 18.407 19.000 -0.267 0.000 0.814 239 A HN 0.579 nan 8.150 nan 0.000 0.444 240 E N 0.154 120.355 120.200 0.002 0.000 2.072 240 E HA -0.174 4.176 4.350 0.000 0.000 0.190 240 E C 2.060 178.701 176.600 0.068 0.000 0.982 240 E CA 1.652 58.122 56.400 0.117 0.000 0.803 240 E CB -0.403 29.322 29.700 0.041 0.000 0.755 240 E HN 0.693 nan 8.360 nan 0.000 0.453 241 Q N -0.568 119.245 119.800 0.021 0.000 2.135 241 Q HA -0.088 4.252 4.340 0.000 0.000 0.204 241 Q C 2.121 178.126 176.000 0.008 0.000 0.981 241 Q CA 1.373 57.180 55.803 0.007 0.000 0.856 241 Q CB -0.291 28.442 28.738 -0.008 0.000 0.902 241 Q HN 0.456 nan 8.270 nan 0.000 0.425 242 G N 0.582 109.393 108.800 0.018 0.000 2.394 242 G HA2 -0.205 3.755 3.960 0.000 0.000 0.215 242 G HA3 -0.205 3.755 3.960 0.000 0.000 0.215 242 G C 1.331 176.236 174.900 0.008 0.000 1.165 242 G CA 0.319 45.425 45.100 0.010 0.000 0.784 242 G HN 0.224 nan 8.290 nan 0.000 0.535 243 L N 0.556 121.799 121.223 0.033 0.000 2.017 243 L HA -0.013 4.327 4.340 0.000 0.000 0.208 243 L C 2.841 179.692 176.870 -0.031 0.000 1.073 243 L CA 1.937 56.763 54.840 -0.025 0.000 0.745 243 L CB -0.750 41.268 42.059 -0.067 0.000 0.894 243 L HN 0.289 nan 8.230 nan 0.000 0.432 244 Q N -0.868 118.928 119.800 -0.006 0.000 2.135 244 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 244 Q C 2.195 178.185 176.000 -0.016 0.000 0.981 244 Q CA 1.691 57.487 55.803 -0.011 0.000 0.856 244 Q CB -0.323 28.415 28.738 -0.000 0.000 0.902 244 Q HN 0.703 nan 8.270 nan 0.000 0.425 245 A N 0.636 123.447 122.820 -0.016 0.000 1.968 245 A HA -0.040 4.280 4.320 0.000 0.000 0.217 245 A C 2.201 179.767 177.584 -0.030 0.000 1.169 245 A CA 1.368 53.392 52.037 -0.022 0.000 0.638 245 A CB -0.546 18.441 19.000 -0.022 0.000 0.812 245 A HN 0.394 nan 8.150 nan 0.000 0.446 246 A N 0.193 122.993 122.820 -0.033 0.000 1.855 246 A HA -0.027 4.293 4.320 0.000 0.000 0.215 246 A C 2.093 179.658 177.584 -0.032 0.000 1.191 246 A CA 1.361 53.373 52.037 -0.041 0.000 0.613 246 A CB -0.627 18.346 19.000 -0.045 0.000 0.829 246 A HN 0.451 nan 8.150 nan 0.000 0.442 247 I N -0.200 120.353 120.570 -0.029 0.000 2.118 247 I HA -0.339 3.831 4.170 0.000 0.000 0.241 247 I C 2.616 178.731 176.117 -0.003 0.000 1.070 247 I CA 2.136 63.427 61.300 -0.015 0.000 1.327 247 I CB -0.286 37.699 38.000 -0.025 0.000 1.034 247 I HN 0.420 nan 8.210 nan 0.000 0.405 248 K N 1.207 121.601 120.400 -0.011 0.000 2.057 248 K HA -0.209 4.111 4.320 0.000 0.000 0.207 248 K C 2.174 178.768 176.600 -0.010 0.000 1.049 248 K CA 1.633 57.915 56.287 -0.007 0.000 0.931 248 K CB -0.126 32.367 32.500 -0.011 0.000 0.714 248 K HN 0.317 nan 8.250 nan 0.000 0.440 249 A N 0.848 123.652 122.820 -0.027 0.000 1.930 249 A HA -0.051 4.269 4.320 0.000 0.000 0.217 249 A C 2.263 179.813 177.584 -0.056 0.000 1.175 249 A CA 1.704 53.711 52.037 -0.051 0.000 0.627 249 A CB -0.606 18.347 19.000 -0.078 0.000 0.815 249 A HN 0.495 nan 8.150 nan 0.000 0.443 250 A N -0.197 122.610 122.820 -0.021 0.000 1.872 250 A HA -0.114 4.206 4.320 0.000 0.000 0.214 250 A C 1.920 179.597 177.584 0.155 0.000 1.187 250 A CA 1.495 53.580 52.037 0.079 0.000 0.614 250 A CB -0.526 18.569 19.000 0.159 0.000 0.826 250 A HN 0.590 nan 8.150 nan 0.000 0.442 251 E N -0.700 119.551 120.200 0.084 0.000 2.023 251 E HA -0.232 4.118 4.350 0.000 0.000 0.196 251 E C 2.221 178.860 176.600 0.065 0.000 1.003 251 E CA 1.341 57.782 56.400 0.069 0.000 0.809 251 E CB -0.194 29.527 29.700 0.035 0.000 0.755 251 E HN 0.518 nan 8.360 nan 0.000 0.449 252 R N 0.096 120.619 120.500 0.039 0.000 2.341 252 R HA -0.080 4.260 4.340 0.000 0.000 0.213 252 R C 1.614 177.941 176.300 0.044 0.000 1.082 252 R CA 0.796 56.913 56.100 0.029 0.000 1.017 252 R CB 0.038 30.343 30.300 0.008 0.000 0.860 252 R HN 0.112 nan 8.270 nan 0.000 0.473 253 A N -1.176 121.694 122.820 0.084 0.000 2.220 253 A HA 0.273 4.593 4.320 0.000 0.000 0.211 253 A C 1.321 179.037 177.584 0.220 0.000 1.176 253 A CA 0.683 52.803 52.037 0.137 0.000 0.834 253 A CB 0.409 19.463 19.000 0.089 0.000 0.868 253 A HN 0.439 nan 8.150 nan 0.000 0.488 254 G N -2.293 106.607 108.800 0.166 0.000 2.205 254 G HA2 0.232 4.192 3.960 0.000 0.000 0.180 254 G HA3 0.232 4.192 3.960 0.000 0.000 0.180 254 G C 0.298 175.232 174.900 0.058 0.000 1.004 254 G CA 0.044 45.203 45.100 0.099 0.000 0.670 254 G HN 1.378 nan 8.290 nan 0.000 0.496 255 A N 0.478 123.365 122.820 0.113 0.000 2.304 255 A HA 0.792 5.112 4.320 0.000 0.000 0.301 255 A C 0.763 178.365 177.584 0.029 0.000 1.132 255 A CA 0.634 52.687 52.037 0.027 0.000 0.819 255 A CB 0.747 19.801 19.000 0.090 0.000 1.094 255 A HN 1.756 nan 8.150 nan 0.000 0.492 256 S N 1.172 116.870 115.700 -0.002 0.000 2.410 256 S HA 0.543 5.013 4.470 0.000 0.000 0.304 256 S C -0.433 174.170 174.600 0.004 0.000 1.095 256 S CA -0.586 57.614 58.200 0.001 0.000 1.089 256 S CB 0.515 63.710 63.200 -0.009 0.000 0.968 256 S HN 0.643 nan 8.310 nan 0.000 0.480 257 V N 4.577 124.496 119.914 0.009 0.000 2.483 257 V HA 0.610 4.730 4.120 0.000 0.000 0.295 257 V C -0.186 175.904 176.094 -0.006 0.000 1.035 257 V CA -0.665 61.636 62.300 0.003 0.000 0.896 257 V CB 1.137 32.964 31.823 0.007 0.000 0.986 257 V HN 1.009 nan 8.190 nan 0.000 0.447 258 Q N 3.382 123.173 119.800 -0.014 0.000 2.268 258 Q HA 0.796 5.136 4.340 0.000 0.000 0.266 258 Q C -0.807 175.180 176.000 -0.021 0.000 1.006 258 Q CA -0.769 55.025 55.803 -0.015 0.000 0.824 258 Q CB 2.116 30.846 28.738 -0.013 0.000 1.306 258 Q HN 0.811 nan 8.270 nan 0.000 0.424 259 A N 4.295 127.104 122.820 -0.018 0.000 2.462 259 A HA 0.589 4.910 4.320 0.000 0.000 0.243 259 A C -0.349 177.230 177.584 -0.008 0.000 1.076 259 A CA 0.004 52.030 52.037 -0.017 0.000 0.773 259 A CB 0.113 19.105 19.000 -0.012 0.000 1.010 259 A HN 0.737 nan 8.150 nan 0.000 0.493 260 I N 1.021 121.590 120.570 -0.001 0.000 2.894 260 I HA 0.294 4.464 4.170 0.000 0.000 0.302 260 I C -0.822 175.325 176.117 0.049 0.000 1.188 260 I CA -0.894 60.413 61.300 0.011 0.000 1.014 260 I CB 2.342 40.336 38.000 -0.010 0.000 1.242 260 I HN 0.574 nan 8.210 nan 0.000 0.430 261 D N 3.461 123.898 120.400 0.061 0.000 2.388 261 D HA 0.607 5.247 4.640 0.000 0.000 0.254 261 D C -0.735 175.647 176.300 0.136 0.000 1.111 261 D CA -0.224 53.846 54.000 0.116 0.000 0.993 261 D CB 2.037 42.884 40.800 0.079 0.000 1.118 261 D HN 0.200 nan 8.370 nan 0.000 0.502 262 L N 1.407 122.780 121.223 0.250 0.000 2.346 262 L HA 0.336 4.677 4.340 0.000 0.000 0.276 262 L C -2.297 174.561 176.870 -0.021 0.000 1.006 262 L CA -1.918 53.045 54.840 0.205 0.000 0.817 262 L CB 1.859 44.147 42.059 0.382 0.000 1.272 262 L HN 0.027 nan 8.230 nan 0.000 0.421 263 P HA -0.123 nan 4.420 nan 0.000 0.266 263 P C 0.403 177.520 177.300 -0.305 0.000 1.180 263 P CA 0.224 63.237 63.100 -0.145 0.000 0.765 263 P CB 0.647 32.309 31.700 -0.063 0.000 0.806 264 E N 3.630 123.636 120.200 -0.322 0.000 2.130 264 E HA -0.252 4.098 4.350 0.000 0.000 0.196 264 E C 1.832 178.324 176.600 -0.179 0.000 0.998 264 E CA 2.127 58.326 56.400 -0.334 0.000 0.806 264 E CB -0.808 28.780 29.700 -0.187 0.000 0.738 264 E HN 0.453 nan 8.360 nan 0.000 0.459 265 A N -0.070 122.676 122.820 -0.124 0.000 1.902 265 A HA -0.149 4.171 4.320 0.000 0.000 0.217 265 A C 2.498 180.032 177.584 -0.082 0.000 1.181 265 A CA 1.681 53.669 52.037 -0.080 0.000 0.623 265 A CB -0.748 18.216 19.000 -0.060 0.000 0.818 265 A HN 0.209 nan 8.150 nan 0.000 0.443 266 V N -0.290 119.572 119.914 -0.087 0.000 2.490 266 V HA -0.273 3.847 4.120 0.000 0.000 0.250 266 V C 2.234 178.200 176.094 -0.214 0.000 1.061 266 V CA 2.081 64.317 62.300 -0.106 0.000 1.064 266 V CB -1.175 30.623 31.823 -0.042 0.000 0.670 266 V HN 0.709 nan 8.190 nan 0.000 0.461 267 H N -0.601 118.219 119.070 -0.416 0.000 2.389 267 H HA -0.088 4.469 4.556 0.000 0.000 0.299 267 H C 2.371 177.534 175.328 -0.275 0.000 1.081 267 H CA 1.112 56.792 56.048 -0.613 0.000 1.345 267 H CB 0.297 29.854 29.762 -0.341 0.000 1.393 267 H HN 0.368 nan 8.280 nan 0.000 0.520 268 E N 0.885 121.074 120.200 -0.018 0.000 2.150 268 E HA -0.076 4.274 4.350 0.000 0.000 0.193 268 E C 2.398 178.985 176.600 -0.022 0.000 0.985 268 E CA 0.686 57.088 56.400 0.002 0.000 0.814 268 E CB -0.177 29.511 29.700 -0.020 0.000 0.752 268 E HN 0.427 nan 8.360 nan 0.000 0.466 269 A N 0.597 123.379 122.820 -0.063 0.000 1.877 269 A HA -0.192 4.128 4.320 0.000 0.000 0.216 269 A C 2.090 179.645 177.584 -0.048 0.000 1.186 269 A CA 1.517 53.510 52.037 -0.074 0.000 0.620 269 A CB -1.206 17.735 19.000 -0.099 0.000 0.822 269 A HN 0.457 nan 8.150 nan 0.000 0.443 270 W N 0.690 121.822 121.300 -0.280 0.000 2.338 270 W HA -0.232 4.428 4.660 -0.000 0.000 0.304 270 W C 2.400 178.854 176.519 -0.107 0.000 1.212 270 W CA 2.239 59.439 57.345 -0.242 0.000 1.264 270 W CB -0.156 29.065 29.460 -0.399 0.000 1.142 270 W HN 0.327 nan 8.180 nan 0.000 0.512 271 R N 0.687 121.234 120.500 0.077 0.000 2.081 271 R HA -0.179 4.161 4.340 0.000 0.000 0.235 271 R C 1.911 178.108 176.300 -0.172 0.000 1.131 271 R CA 2.310 58.370 56.100 -0.066 0.000 0.960 271 R CB -0.744 29.626 30.300 0.117 0.000 0.856 271 R HN 0.392 nan 8.270 nan 0.000 0.436 272 I N -1.267 119.237 120.570 -0.110 0.000 3.684 272 I HA 0.000 4.170 4.170 0.000 0.000 0.304 272 I C 1.945 177.992 176.117 -0.116 0.000 1.278 272 I CA 0.607 61.842 61.300 -0.107 0.000 1.272 272 I CB -0.680 37.262 38.000 -0.096 0.000 1.029 272 I HN 0.149 nan 8.210 nan 0.000 0.458 273 H N 2.993 121.915 119.070 -0.246 0.000 2.319 273 H HA -0.053 4.503 4.556 0.000 0.000 0.299 273 H C -0.718 174.506 175.328 -0.174 0.000 1.092 273 H CA 2.375 58.287 56.048 -0.227 0.000 1.302 273 H CB -1.124 28.453 29.762 -0.309 0.000 1.373 273 H HN 0.221 nan 8.280 nan 0.000 0.497 274 P HA -0.131 nan 4.420 nan 0.000 0.219 274 P C 1.837 179.099 177.300 -0.064 0.000 1.146 274 P CA 0.973 64.041 63.100 -0.052 0.000 0.808 274 P CB 0.001 31.658 31.700 -0.071 0.000 0.779 275 I N -1.114 119.416 120.570 -0.068 0.000 2.163 275 I HA -0.170 4.000 4.170 0.000 0.000 0.240 275 I C 2.338 178.482 176.117 0.045 0.000 1.081 275 I CA 1.462 62.756 61.300 -0.009 0.000 1.353 275 I CB -1.332 36.649 38.000 -0.032 0.000 1.054 275 I HN -0.033 nan 8.210 nan 0.000 0.407 276 I N 0.463 121.016 120.570 -0.028 0.000 2.142 276 I HA -0.351 3.819 4.170 0.000 0.000 0.240 276 I C 2.768 178.849 176.117 -0.061 0.000 1.078 276 I CA 1.446 62.767 61.300 0.034 0.000 1.343 276 I CB -0.502 37.417 38.000 -0.136 0.000 1.046 276 I HN 0.337 nan 8.210 nan 0.000 0.405 277 Q N 1.053 120.730 119.800 -0.206 0.000 2.014 277 Q HA -0.280 4.060 4.340 0.000 0.000 0.207 277 Q C 1.765 177.735 176.000 -0.050 0.000 0.993 277 Q CA 2.371 58.087 55.803 -0.146 0.000 0.850 277 Q CB -0.015 28.613 28.738 -0.184 0.000 0.916 277 Q HN 0.450 nan 8.270 nan 0.000 0.417 278 D N -0.418 119.973 120.400 -0.015 0.000 2.178 278 D HA -0.123 4.517 4.640 0.000 0.000 0.202 278 D C 1.582 177.839 176.300 -0.073 0.000 0.974 278 D CA 0.655 54.634 54.000 -0.034 0.000 0.841 278 D CB -0.306 40.507 40.800 0.022 0.000 0.953 278 D HN 0.269 nan 8.370 nan 0.000 0.478 279 F N 2.081 121.929 119.950 -0.169 0.000 2.113 279 F HA -0.110 4.417 4.527 0.001 0.000 0.297 279 F C 2.114 177.688 175.800 -0.377 0.000 1.103 279 F CA 1.360 59.213 58.000 -0.245 0.000 1.248 279 F CB 0.042 38.849 39.000 -0.321 0.000 0.999 279 F HN -0.135 nan 8.300 nan 0.000 0.475 280 E N 0.227 120.172 120.200 -0.425 0.000 2.150 280 E HA -0.158 4.192 4.350 0.000 0.000 0.193 280 E C 2.368 178.641 176.600 -0.546 0.000 0.985 280 E CA 0.824 56.803 56.400 -0.701 0.000 0.814 280 E CB -0.426 28.654 29.700 -1.032 0.000 0.752 280 E HN 0.496 nan 8.360 nan 0.000 0.466 281 A N 1.721 124.213 122.820 -0.546 0.000 1.908 281 A HA -0.233 4.087 4.320 0.000 0.000 0.218 281 A C 1.918 179.143 177.584 -0.598 0.000 1.181 281 A CA 1.432 53.020 52.037 -0.748 0.000 0.627 281 A CB -0.725 17.648 19.000 -1.046 0.000 0.818 281 A HN 0.271 nan 8.150 nan 0.000 0.445 282 H N -0.962 117.789 119.070 -0.531 0.000 2.421 282 H HA -0.040 4.516 4.556 0.000 0.000 0.298 282 H C 2.351 177.450 175.328 -0.382 0.000 1.087 282 H CA 1.734 57.471 56.048 -0.518 0.000 1.330 282 H CB 0.092 29.502 29.762 -0.585 0.000 1.388 282 H HN 0.264 nan 8.280 nan 0.000 0.526 283 R N 0.474 120.828 120.500 -0.244 0.000 2.075 283 R HA 0.083 4.424 4.340 0.000 0.000 0.226 283 R C 2.439 178.755 176.300 0.028 0.000 1.114 283 R CA 1.052 57.103 56.100 -0.081 0.000 0.972 283 R CB -0.871 29.459 30.300 0.050 0.000 0.869 283 R HN 0.264 nan 8.270 nan 0.000 0.437 284 A N 0.066 122.913 122.820 0.045 0.000 1.969 284 A HA -0.002 4.318 4.320 0.000 0.000 0.218 284 A C 1.373 178.931 177.584 -0.044 0.000 1.169 284 A CA 0.998 53.078 52.037 0.071 0.000 0.635 284 A CB -0.185 18.857 19.000 0.071 0.000 0.810 284 A HN 0.224 nan 8.150 nan 0.000 0.445 285 L N -0.962 120.167 121.223 -0.156 0.000 3.062 285 L HA 0.292 4.632 4.340 0.000 0.000 0.255 285 L C 1.967 178.813 176.870 -0.039 0.000 1.274 285 L CA 0.139 54.879 54.840 -0.166 0.000 1.047 285 L CB 0.165 42.003 42.059 -0.369 0.000 1.402 285 L HN 0.335 nan 8.230 nan 0.000 0.550 286 A N 0.503 123.341 122.820 0.030 0.000 1.865 286 A HA -0.247 4.073 4.320 0.000 0.000 0.217 286 A C 1.921 179.611 177.584 0.178 0.000 1.191 286 A CA 1.733 53.831 52.037 0.102 0.000 0.623 286 A CB -0.687 18.360 19.000 0.080 0.000 0.826 286 A HN 0.725 nan 8.150 nan 0.000 0.444 287 W N 1.002 122.316 121.300 0.024 0.000 2.335 287 W HA -0.192 4.468 4.660 -0.000 0.000 0.311 287 W C 1.852 178.420 176.519 0.081 0.000 1.213 287 W CA 2.190 59.560 57.345 0.042 0.000 1.274 287 W CB -0.194 29.282 29.460 0.027 0.000 1.148 287 W HN 0.419 nan 8.180 nan 0.000 0.498 288 E N -0.458 119.803 120.200 0.102 0.000 2.051 288 E HA -0.222 4.128 4.350 0.000 0.000 0.192 288 E C 1.956 178.483 176.600 -0.120 0.000 0.991 288 E CA 1.899 58.225 56.400 -0.123 0.000 0.799 288 E CB -1.082 28.559 29.700 -0.098 0.000 0.748 288 E HN 0.335 nan 8.360 nan 0.000 0.449 289 F N 0.765 120.618 119.950 -0.161 0.000 2.186 289 F HA -0.165 4.363 4.527 0.001 0.000 0.299 289 F C 2.127 177.898 175.800 -0.048 0.000 1.090 289 F CA 1.259 59.206 58.000 -0.087 0.000 1.307 289 F CB -0.057 38.919 39.000 -0.041 0.000 1.019 289 F HN -0.100 nan 8.300 nan 0.000 0.489 290 S N -0.386 115.295 115.700 -0.033 0.000 2.377 290 S HA -0.080 4.390 4.470 0.000 0.000 0.223 290 S C 1.652 176.066 174.600 -0.310 0.000 1.030 290 S CA 1.165 59.280 58.200 -0.141 0.000 0.970 290 S CB -0.151 63.022 63.200 -0.045 0.000 0.830 290 S HN 0.382 nan 8.310 nan 0.000 0.473 291 E N 0.260 120.159 120.200 -0.502 0.000 2.452 291 E HA 0.115 4.465 4.350 0.000 0.000 0.197 291 E C -0.022 175.937 176.600 -1.069 0.000 1.022 291 E CA 0.464 56.407 56.400 -0.762 0.000 0.890 291 E CB 0.209 29.318 29.700 -0.985 0.000 0.918 291 E HN 0.559 nan 8.360 nan 0.000 0.496 292 H N -0.505 118.287 119.070 -0.463 0.000 2.924 292 H HA 0.085 4.641 4.556 -0.000 0.000 0.229 292 H C 1.147 176.351 175.328 -0.207 0.000 1.345 292 H CA -0.202 55.654 56.048 -0.320 0.000 1.044 292 H CB 0.147 29.678 29.762 -0.385 0.000 2.221 292 H HN 0.178 nan 8.280 nan 0.000 0.574 293 H N 1.924 120.828 119.070 -0.276 0.000 2.265 293 H HA -0.136 4.420 4.556 -0.000 0.000 0.295 293 H C 0.582 175.818 175.328 -0.153 0.000 1.084 293 H CA 1.997 57.859 56.048 -0.310 0.000 1.261 293 H CB 0.364 29.832 29.762 -0.490 0.000 1.360 293 H HN 0.318 nan 8.280 nan 0.000 0.487 294 D N 0.439 120.885 120.400 0.077 0.000 2.309 294 D HA -0.098 4.542 4.640 0.000 0.000 0.212 294 D C 1.861 178.165 176.300 0.007 0.000 0.968 294 D CA 0.741 54.777 54.000 0.059 0.000 0.882 294 D CB -0.269 40.570 40.800 0.064 0.000 0.918 294 D HN 0.633 nan 8.370 nan 0.000 0.503 295 E N -0.182 120.028 120.200 0.015 0.000 2.442 295 E HA 0.084 4.434 4.350 0.000 0.000 0.195 295 E C 0.576 177.221 176.600 0.075 0.000 1.030 295 E CA -0.118 56.313 56.400 0.051 0.000 0.869 295 E CB 0.517 30.267 29.700 0.083 0.000 0.857 295 E HN 0.289 nan 8.360 nan 0.000 0.505 296 I N 1.917 122.510 120.570 0.038 0.000 2.588 296 I HA 0.036 4.206 4.170 0.000 0.000 0.283 296 I C 0.614 176.779 176.117 0.079 0.000 1.119 296 I CA -0.677 60.689 61.300 0.109 0.000 1.419 296 I CB 0.705 38.719 38.000 0.023 0.000 1.394 296 I HN 0.002 nan 8.210 nan 0.000 0.562 297 A N 8.231 131.129 122.820 0.130 0.000 2.587 297 A HA 0.085 4.406 4.320 0.000 0.000 0.235 297 A C -1.416 176.204 177.584 0.060 0.000 1.044 297 A CA -0.729 51.358 52.037 0.083 0.000 0.754 297 A CB -0.416 18.637 19.000 0.087 0.000 0.968 297 A HN 0.609 nan 8.150 nan 0.000 0.509 298 P HA -0.278 nan 4.420 nan 0.000 0.218 298 P C 1.582 178.908 177.300 0.043 0.000 1.165 298 P CA 2.313 65.435 63.100 0.036 0.000 0.922 298 P CB -0.110 31.610 31.700 0.033 0.000 0.794 299 M N -2.404 117.226 119.600 0.050 0.000 2.099 299 M HA -0.118 4.362 4.480 0.000 0.000 0.262 299 M C 2.141 178.480 176.300 0.065 0.000 1.067 299 M CA 1.465 56.797 55.300 0.054 0.000 1.124 299 M CB -0.975 31.655 32.600 0.050 0.000 1.353 299 M HN -0.053 nan 8.290 nan 0.000 0.410 300 L N 0.537 121.810 121.223 0.084 0.000 2.093 300 L HA -0.126 4.214 4.340 0.000 0.000 0.208 300 L C 2.491 179.405 176.870 0.073 0.000 1.085 300 L CA 1.801 56.705 54.840 0.106 0.000 0.755 300 L CB -0.718 41.446 42.059 0.175 0.000 0.904 300 L HN 0.187 nan 8.230 nan 0.000 0.435 301 R N -0.550 119.980 120.500 0.051 0.000 2.081 301 R HA -0.161 4.179 4.340 0.000 0.000 0.235 301 R C 2.104 178.446 176.300 0.070 0.000 1.131 301 R CA 1.423 57.525 56.100 0.004 0.000 0.960 301 R CB -0.321 29.933 30.300 -0.078 0.000 0.856 301 R HN 0.522 nan 8.270 nan 0.000 0.436 302 A N 0.447 123.309 122.820 0.070 0.000 1.873 302 A HA -0.154 4.166 4.320 0.000 0.000 0.215 302 A C 2.180 179.817 177.584 0.089 0.000 1.186 302 A CA 1.823 53.912 52.037 0.086 0.000 0.616 302 A CB -0.623 18.417 19.000 0.066 0.000 0.823 302 A HN 0.591 nan 8.150 nan 0.000 0.442 303 S N 0.163 115.904 115.700 0.069 0.000 2.382 303 S HA -0.096 4.374 4.470 0.000 0.000 0.228 303 S C 1.880 176.502 174.600 0.037 0.000 1.027 303 S CA 1.467 59.700 58.200 0.055 0.000 0.991 303 S CB -0.706 62.526 63.200 0.054 0.000 0.823 303 S HN 0.428 nan 8.310 nan 0.000 0.469 304 L N 1.444 122.668 121.223 0.002 0.000 2.027 304 L HA -0.071 4.269 4.340 0.000 0.000 0.206 304 L C 2.389 179.343 176.870 0.140 0.000 1.074 304 L CA 1.493 56.245 54.840 -0.148 0.000 0.745 304 L CB -0.706 41.167 42.059 -0.310 0.000 0.898 304 L HN 0.207 nan 8.230 nan 0.000 0.433 305 D N 0.224 120.800 120.400 0.294 0.000 2.221 305 D HA -0.157 4.483 4.640 0.000 0.000 0.204 305 D C 2.022 178.444 176.300 0.203 0.000 0.982 305 D CA 1.381 55.599 54.000 0.363 0.000 0.857 305 D CB 0.078 41.076 40.800 0.330 0.000 0.934 305 D HN 0.329 nan 8.370 nan 0.000 0.475 306 A N -0.176 122.729 122.820 0.143 0.000 2.132 306 A HA 0.018 4.338 4.320 0.000 0.000 0.213 306 A C 1.821 179.452 177.584 0.079 0.000 1.154 306 A CA 1.278 53.372 52.037 0.094 0.000 0.753 306 A CB -0.086 18.958 19.000 0.073 0.000 0.826 306 A HN 0.274 nan 8.150 nan 0.000 0.469 307 T N -3.934 110.687 114.554 0.113 0.000 3.132 307 T HA 0.228 4.578 4.350 0.000 0.000 0.274 307 T C 1.151 175.838 174.700 -0.022 0.000 1.011 307 T CA 0.533 62.688 62.100 0.092 0.000 0.899 307 T CB 0.160 69.098 68.868 0.117 0.000 1.089 307 T HN -0.059 nan 8.240 nan 0.000 0.543 308 V N 1.799 121.635 119.914 -0.131 0.000 2.568 308 V HA -0.043 4.077 4.120 0.000 0.000 0.253 308 V C 2.749 178.660 176.094 -0.306 0.000 1.072 308 V CA 2.225 64.215 62.300 -0.516 0.000 1.084 308 V CB -0.997 30.697 31.823 -0.216 0.000 0.676 308 V HN 0.722 nan 8.190 nan 0.000 0.469 309 G N -0.822 107.906 108.800 -0.120 0.000 2.712 309 G HA2 0.054 4.014 3.960 0.000 0.000 0.212 309 G HA3 0.054 4.014 3.960 0.000 0.000 0.212 309 G C 0.647 175.545 174.900 -0.003 0.000 1.142 309 G CA -0.334 44.734 45.100 -0.053 0.000 0.789 309 G HN 0.443 nan 8.290 nan 0.000 0.535 310 L N 2.304 123.543 121.223 0.027 0.000 2.578 310 L HA 0.141 4.481 4.340 0.000 0.000 0.279 310 L C 1.171 178.172 176.870 0.218 0.000 1.227 310 L CA 0.036 54.957 54.840 0.134 0.000 0.900 310 L CB 0.290 42.497 42.059 0.247 0.000 1.144 310 L HN 0.168 nan 8.230 nan 0.000 0.496 311 T N -0.105 114.514 114.554 0.108 0.000 2.943 311 T HA 0.365 4.715 4.350 0.000 0.000 0.284 311 T C -1.941 172.695 174.700 -0.107 0.000 1.015 311 T CA -2.086 60.065 62.100 0.085 0.000 1.042 311 T CB 1.962 70.844 68.868 0.023 0.000 1.055 311 T HN 0.265 nan 8.240 nan 0.000 0.500 312 P HA -0.087 nan 4.420 nan 0.000 0.216 312 P C 1.507 178.725 177.300 -0.137 0.000 1.150 312 P CA 1.065 64.072 63.100 -0.155 0.000 0.843 312 P CB 0.127 31.874 31.700 0.079 0.000 0.787 313 K N 0.559 120.912 120.400 -0.078 0.000 1.991 313 K HA -0.215 4.105 4.320 0.000 0.000 0.212 313 K C 2.156 178.692 176.600 -0.107 0.000 1.049 313 K CA 2.004 58.248 56.287 -0.072 0.000 0.932 313 K CB -0.339 32.136 32.500 -0.042 0.000 0.717 313 K HN 0.181 nan 8.250 nan 0.000 0.441 314 E N -0.545 119.592 120.200 -0.105 0.000 2.153 314 E HA -0.264 4.086 4.350 0.000 0.000 0.194 314 E C 2.090 178.598 176.600 -0.154 0.000 0.988 314 E CA 1.114 57.451 56.400 -0.105 0.000 0.811 314 E CB -0.664 28.995 29.700 -0.068 0.000 0.746 314 E HN 0.466 nan 8.360 nan 0.000 0.466 315 Y N 2.977 123.025 120.300 -0.421 0.000 2.070 315 Y HA -0.230 4.320 4.550 0.000 0.000 0.280 315 Y C 1.790 177.488 175.900 -0.337 0.000 1.148 315 Y CA 2.211 59.982 58.100 -0.548 0.000 1.125 315 Y CB -0.411 37.273 38.460 -1.295 0.000 0.975 315 Y HN -0.052 nan 8.280 nan 0.000 0.492 316 D N -0.033 120.095 120.400 -0.454 0.000 2.123 316 D HA -0.200 4.440 4.640 0.000 0.000 0.196 316 D C 2.005 178.112 176.300 -0.321 0.000 0.992 316 D CA 1.768 55.509 54.000 -0.432 0.000 0.833 316 D CB -0.329 40.353 40.800 -0.197 0.000 0.954 316 D HN 0.450 nan 8.370 nan 0.000 0.455 317 E N 0.954 121.017 120.200 -0.228 0.000 2.150 317 E HA -0.072 4.278 4.350 0.000 0.000 0.193 317 E C 1.858 178.349 176.600 -0.182 0.000 0.985 317 E CA 1.159 57.459 56.400 -0.167 0.000 0.814 317 E CB -0.255 29.374 29.700 -0.117 0.000 0.752 317 E HN 0.184 nan 8.360 nan 0.000 0.466 318 A N 0.606 123.292 122.820 -0.224 0.000 1.898 318 A HA -0.131 4.189 4.320 0.000 0.000 0.216 318 A C 2.190 179.633 177.584 -0.234 0.000 1.181 318 A CA 1.421 53.337 52.037 -0.201 0.000 0.620 318 A CB -0.373 18.516 19.000 -0.185 0.000 0.819 318 A HN 0.177 nan 8.150 nan 0.000 0.442 319 R N -0.928 119.366 120.500 -0.343 0.000 2.096 319 R HA -0.105 4.235 4.340 0.000 0.000 0.235 319 R C 2.505 178.683 176.300 -0.202 0.000 1.127 319 R CA 1.406 57.322 56.100 -0.307 0.000 0.968 319 R CB -0.322 29.727 30.300 -0.419 0.000 0.861 319 R HN 0.579 nan 8.270 nan 0.000 0.440 320 R N 1.194 121.584 120.500 -0.184 0.000 2.091 320 R HA -0.126 4.214 4.340 0.000 0.000 0.238 320 R C 2.163 178.398 176.300 -0.108 0.000 1.136 320 R CA 1.459 57.483 56.100 -0.127 0.000 0.959 320 R CB -0.246 29.988 30.300 -0.110 0.000 0.856 320 R HN 0.187 nan 8.270 nan 0.000 0.437 321 I N 0.150 120.652 120.570 -0.114 0.000 2.226 321 I HA -0.190 3.980 4.170 0.000 0.000 0.245 321 I C 2.457 178.518 176.117 -0.094 0.000 1.100 321 I CA 1.456 62.700 61.300 -0.094 0.000 1.374 321 I CB -0.646 37.299 38.000 -0.091 0.000 1.057 321 I HN 0.433 nan 8.210 nan 0.000 0.413 322 G N 0.623 109.354 108.800 -0.116 0.000 2.418 322 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 322 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 322 G C 1.824 176.664 174.900 -0.099 0.000 1.158 322 G CA 0.398 45.430 45.100 -0.113 0.000 0.771 322 G HN 0.288 nan 8.290 nan 0.000 0.545 323 R N -0.240 120.201 120.500 -0.099 0.000 2.081 323 R HA -0.005 4.335 4.340 0.000 0.000 0.235 323 R C 2.664 178.927 176.300 -0.060 0.000 1.131 323 R CA 1.255 57.307 56.100 -0.081 0.000 0.960 323 R CB -0.296 29.959 30.300 -0.075 0.000 0.856 323 R HN 0.293 nan 8.270 nan 0.000 0.436 324 R N 0.340 120.805 120.500 -0.059 0.000 2.091 324 R HA -0.122 4.218 4.340 0.000 0.000 0.238 324 R C 2.259 178.536 176.300 -0.037 0.000 1.136 324 R CA 1.828 57.901 56.100 -0.045 0.000 0.959 324 R CB -0.591 29.680 30.300 -0.048 0.000 0.856 324 R HN 0.316 nan 8.270 nan 0.000 0.437 325 G N 0.282 109.053 108.800 -0.047 0.000 2.422 325 G HA2 -0.256 3.705 3.960 0.000 0.000 0.218 325 G HA3 -0.256 3.705 3.960 0.000 0.000 0.218 325 G C 1.344 176.239 174.900 -0.008 0.000 1.146 325 G CA 0.602 45.679 45.100 -0.038 0.000 0.769 325 G HN 0.304 nan 8.290 nan 0.000 0.547 326 R N -0.059 120.429 120.500 -0.020 0.000 2.081 326 R HA 0.005 4.345 4.340 0.000 0.000 0.235 326 R C 2.802 179.118 176.300 0.027 0.000 1.131 326 R CA 0.988 57.087 56.100 -0.003 0.000 0.960 326 R CB -0.271 29.992 30.300 -0.062 0.000 0.856 326 R HN 0.308 nan 8.270 nan 0.000 0.436 327 R N 0.910 121.415 120.500 0.009 0.000 2.082 327 R HA -0.122 4.218 4.340 0.000 0.000 0.228 327 R C 2.112 178.441 176.300 0.048 0.000 1.140 327 R CA 1.459 57.574 56.100 0.024 0.000 0.920 327 R CB -0.365 29.938 30.300 0.006 0.000 0.828 327 R HN 0.328 nan 8.270 nan 0.000 0.430 328 E N 0.749 120.967 120.200 0.031 0.000 2.333 328 E HA -0.210 4.140 4.350 0.000 0.000 0.200 328 E C 1.843 178.485 176.600 0.069 0.000 1.010 328 E CA 0.728 57.148 56.400 0.034 0.000 0.841 328 E CB -0.083 29.618 29.700 0.003 0.000 0.757 328 E HN 0.124 nan 8.360 nan 0.000 0.508 329 L N 0.015 121.304 121.223 0.109 0.000 2.131 329 L HA 0.079 4.419 4.340 0.000 0.000 0.206 329 L C 2.179 179.228 176.870 0.299 0.000 1.087 329 L CA 1.808 56.766 54.840 0.196 0.000 0.767 329 L CB -0.663 41.551 42.059 0.259 0.000 0.917 329 L HN 0.023 nan 8.230 nan 0.000 0.441 330 G N -0.769 108.189 108.800 0.263 0.000 2.450 330 G HA2 -0.265 3.695 3.960 0.000 0.000 0.220 330 G HA3 -0.265 3.695 3.960 0.000 0.000 0.220 330 G C 1.382 176.442 174.900 0.267 0.000 1.130 330 G CA 0.920 46.200 45.100 0.300 0.000 0.760 330 G HN 0.554 nan 8.290 nan 0.000 0.557 331 E N 0.032 120.328 120.200 0.161 0.000 2.058 331 E HA -0.122 4.228 4.350 0.000 0.000 0.194 331 E C 2.711 179.365 176.600 0.091 0.000 0.997 331 E CA 1.150 57.614 56.400 0.105 0.000 0.801 331 E CB -0.281 29.455 29.700 0.060 0.000 0.746 331 E HN 0.296 nan 8.360 nan 0.000 0.450 332 V N 0.880 120.826 119.914 0.052 0.000 2.439 332 V HA -0.258 3.862 4.120 0.000 0.000 0.253 332 V C 1.700 177.708 176.094 -0.143 0.000 1.074 332 V CA 1.675 63.927 62.300 -0.081 0.000 1.076 332 V CB -0.606 31.105 31.823 -0.186 0.000 0.664 332 V HN 0.218 nan 8.190 nan 0.000 0.461 333 F N 0.033 120.025 119.950 0.069 0.000 2.725 333 F HA 0.081 4.608 4.527 -0.001 0.000 0.303 333 F C 1.996 177.820 175.800 0.041 0.000 1.167 333 F CA 0.311 58.348 58.000 0.061 0.000 1.403 333 F CB -0.433 38.613 39.000 0.077 0.000 1.077 333 F HN 0.251 nan 8.300 nan 0.000 0.537 334 E N -0.232 120.055 120.200 0.146 0.000 2.112 334 E HA -0.041 4.309 4.350 0.000 0.000 0.190 334 E C 2.412 179.048 176.600 0.061 0.000 0.979 334 E CA 0.924 57.381 56.400 0.095 0.000 0.814 334 E CB -0.171 29.567 29.700 0.065 0.000 0.762 334 E HN 0.456 nan 8.360 nan 0.000 0.460 335 G N 0.579 109.402 108.800 0.038 0.000 2.833 335 G HA2 0.130 4.090 3.960 0.000 0.000 0.210 335 G HA3 0.130 4.090 3.960 0.000 0.000 0.210 335 G C 0.413 175.325 174.900 0.020 0.000 1.139 335 G CA -0.108 45.004 45.100 0.020 0.000 0.771 335 G HN -0.045 nan 8.290 nan 0.000 0.535 336 V N 1.053 120.982 119.914 0.026 0.000 2.581 336 V HA 0.309 4.429 4.120 0.000 0.000 0.303 336 V C 0.149 176.332 176.094 0.147 0.000 1.041 336 V CA -0.666 61.654 62.300 0.033 0.000 0.907 336 V CB 2.047 33.838 31.823 -0.054 0.000 0.994 336 V HN 0.081 nan 8.190 nan 0.000 0.442 337 D N 1.523 122.027 120.400 0.174 0.000 2.162 337 D HA 0.047 4.687 4.640 0.000 0.000 0.205 337 D C 0.430 176.983 176.300 0.423 0.000 0.964 337 D CA 1.422 55.606 54.000 0.307 0.000 0.847 337 D CB 0.787 41.817 40.800 0.384 0.000 0.988 337 D HN 0.494 nan 8.370 nan 0.000 0.480 338 V N -1.684 118.385 119.914 0.259 0.000 3.049 338 V HA 0.528 4.648 4.120 0.000 0.000 0.309 338 V C -0.779 175.359 176.094 0.072 0.000 1.148 338 V CA -1.131 61.294 62.300 0.208 0.000 0.990 338 V CB 2.345 34.177 31.823 0.016 0.000 1.039 338 V HN -0.140 nan 8.190 nan 0.000 0.430 339 L N 2.777 124.015 121.223 0.026 0.000 2.344 339 L HA 0.696 5.036 4.340 0.000 0.000 0.272 339 L C -0.796 175.995 176.870 -0.131 0.000 1.035 339 L CA -0.748 54.025 54.840 -0.112 0.000 0.807 339 L CB 1.765 43.695 42.059 -0.215 0.000 1.237 339 L HN 0.637 nan 8.230 nan 0.000 0.442 340 L N 1.521 122.665 121.223 -0.132 0.000 2.376 340 L HA 0.681 5.021 4.340 0.000 0.000 0.275 340 L C -0.344 176.412 176.870 -0.189 0.000 0.987 340 L CA 0.446 55.202 54.840 -0.139 0.000 0.828 340 L CB 1.831 43.832 42.059 -0.096 0.000 1.249 340 L HN 0.674 nan 8.230 nan 0.000 0.409 341 T N 2.394 116.821 114.554 -0.212 0.000 2.618 341 T HA 0.529 4.879 4.350 0.000 0.000 0.286 341 T C -1.091 173.454 174.700 -0.259 0.000 1.027 341 T CA -0.366 61.569 62.100 -0.276 0.000 1.063 341 T CB 0.405 69.223 68.868 -0.083 0.000 1.440 341 T HN 0.288 nan 8.240 nan 0.000 0.505 342 Y N 0.805 121.081 120.300 -0.041 0.000 2.301 342 Y HA 0.375 4.925 4.550 -0.000 0.000 0.328 342 Y C 1.832 177.722 175.900 -0.017 0.000 1.242 342 Y CA -0.233 57.804 58.100 -0.104 0.000 1.323 342 Y CB 1.013 39.275 38.460 -0.331 0.000 1.266 342 Y HN 0.489 nan 8.280 nan 0.000 0.527 343 S N 0.614 116.396 115.700 0.137 0.000 2.483 343 S HA 0.442 4.912 4.470 0.000 0.000 0.221 343 S C 0.245 174.894 174.600 0.082 0.000 1.030 343 S CA 0.392 58.647 58.200 0.093 0.000 0.925 343 S CB 0.264 63.487 63.200 0.038 0.000 0.795 343 S HN 0.726 nan 8.310 nan 0.000 0.511 344 A N 0.742 123.603 122.820 0.069 0.000 2.599 344 A HA 0.658 4.978 4.320 0.000 0.000 0.290 344 A C -2.697 174.893 177.584 0.009 0.000 1.101 344 A CA -1.089 50.994 52.037 0.077 0.000 0.674 344 A CB 0.075 19.096 19.000 0.034 0.000 1.277 344 A HN -0.069 nan 8.150 nan 0.000 0.419 345 P HA 0.180 nan 4.420 nan 0.000 0.226 345 P C 0.786 178.047 177.300 -0.066 0.000 1.153 345 P CA 1.846 64.951 63.100 0.008 0.000 0.777 345 P CB 0.270 32.105 31.700 0.224 0.000 0.794 346 G N -2.171 106.661 108.800 0.054 0.000 2.399 346 G HA2 0.213 4.173 3.960 0.000 0.000 0.256 346 G HA3 0.213 4.173 3.960 0.000 0.000 0.256 346 G C -0.939 174.010 174.900 0.082 0.000 1.236 346 G CA -0.110 45.002 45.100 0.020 0.000 0.914 346 G HN 0.024 nan 8.290 nan 0.000 0.482 347 T N -0.447 114.091 114.554 -0.027 0.000 2.813 347 T HA 0.596 4.946 4.350 0.000 0.000 0.297 347 T C 0.926 175.419 174.700 -0.344 0.000 1.036 347 T CA 0.695 62.721 62.100 -0.123 0.000 1.044 347 T CB 1.053 69.827 68.868 -0.157 0.000 0.993 347 T HN 2.016 nan 8.240 nan 0.000 0.535 348 A N 2.889 125.339 122.820 -0.617 0.000 2.546 348 A HA 0.428 4.748 4.320 0.000 0.000 0.243 348 A C -2.088 175.297 177.584 -0.332 0.000 1.063 348 A CA -1.050 50.386 52.037 -1.001 0.000 0.757 348 A CB -0.995 17.631 19.000 -0.622 0.000 0.991 348 A HN 0.705 nan 8.150 nan 0.000 0.503 349 P HA 0.291 nan 4.420 nan 0.000 0.272 349 P C -0.152 177.163 177.300 0.025 0.000 1.230 349 P CA 0.126 63.204 63.100 -0.038 0.000 0.788 349 P CB 0.617 32.300 31.700 -0.028 0.000 0.949 350 A N 2.525 125.298 122.820 -0.079 0.000 2.440 350 A HA 0.075 4.396 4.320 0.000 0.000 0.251 350 A C 1.429 178.904 177.584 -0.182 0.000 1.089 350 A CA -0.069 51.754 52.037 -0.357 0.000 0.779 350 A CB 0.019 18.838 19.000 -0.301 0.000 1.022 350 A HN 0.433 nan 8.150 nan 0.000 0.492 351 K N 2.119 122.409 120.400 -0.184 0.000 2.113 351 K HA -0.223 4.097 4.320 0.000 0.000 0.208 351 K C 2.106 178.670 176.600 -0.060 0.000 1.047 351 K CA 1.680 57.919 56.287 -0.080 0.000 0.928 351 K CB -0.711 31.753 32.500 -0.060 0.000 0.716 351 K HN 0.844 nan 8.250 nan 0.000 0.446 352 A N 1.246 124.017 122.820 -0.081 0.000 2.076 352 A HA -0.123 4.197 4.320 0.000 0.000 0.220 352 A C 2.088 179.652 177.584 -0.033 0.000 1.160 352 A CA 1.098 53.104 52.037 -0.052 0.000 0.653 352 A CB -0.553 18.411 19.000 -0.059 0.000 0.801 352 A HN 0.228 nan 8.150 nan 0.000 0.455 353 L N -1.605 119.598 121.223 -0.034 0.000 2.552 353 L HA 0.104 4.444 4.340 0.000 0.000 0.227 353 L C 1.572 178.443 176.870 0.002 0.000 1.146 353 L CA 0.340 55.173 54.840 -0.012 0.000 0.858 353 L CB -0.605 41.450 42.059 -0.008 0.000 0.969 353 L HN 0.543 nan 8.230 nan 0.000 0.451 354 A N 0.616 123.436 122.820 0.000 0.000 2.687 354 A HA -0.206 4.114 4.320 0.000 0.000 0.299 354 A C 0.541 178.140 177.584 0.025 0.000 1.497 354 A CA 0.977 53.021 52.037 0.012 0.000 0.751 354 A CB -1.727 17.280 19.000 0.012 0.000 1.048 354 A HN 0.423 nan 8.150 nan 0.000 0.464 355 S N -1.201 114.519 115.700 0.033 0.000 2.548 355 S HA 0.654 5.125 4.470 0.000 0.000 0.276 355 S C 0.838 175.487 174.600 0.083 0.000 1.129 355 S CA 0.634 58.867 58.200 0.054 0.000 0.931 355 S CB 1.484 64.717 63.200 0.056 0.000 1.068 355 S HN 1.512 nan 8.310 nan 0.000 0.480 356 T N 0.855 115.471 114.554 0.103 0.000 3.129 356 T HA 0.536 4.886 4.350 0.000 0.000 0.251 356 T C 1.068 175.928 174.700 0.267 0.000 1.117 356 T CA 0.420 62.616 62.100 0.160 0.000 1.034 356 T CB -0.742 68.193 68.868 0.112 0.000 0.968 356 T HN 1.829 nan 8.240 nan 0.000 0.526 357 G N 0.832 109.765 108.800 0.222 0.000 2.629 357 G HA2 0.017 3.977 3.960 0.000 0.000 0.686 357 G HA3 0.017 3.977 3.960 0.000 0.000 0.686 357 G C -1.361 173.640 174.900 0.168 0.000 1.232 357 G CA -0.654 44.614 45.100 0.280 0.000 0.803 357 G HN 0.388 nan 8.290 nan 0.000 0.638 358 D N 1.100 121.598 120.400 0.164 0.000 2.312 358 D HA 0.500 5.140 4.640 0.000 0.000 0.252 358 D C -1.204 175.158 176.300 0.103 0.000 1.150 358 D CA -1.921 52.145 54.000 0.111 0.000 0.870 358 D CB 1.567 42.434 40.800 0.113 0.000 1.153 358 D HN 0.055 nan 8.370 nan 0.000 0.457 359 P HA 0.086 nan 4.420 nan 0.000 0.257 359 P C 0.950 178.265 177.300 0.025 0.000 1.281 359 P CA 0.064 63.182 63.100 0.030 0.000 0.826 359 P CB 0.056 31.742 31.700 -0.022 0.000 1.237 360 R N -0.564 119.944 120.500 0.014 0.000 2.139 360 R HA -0.178 4.162 4.340 0.000 0.000 0.243 360 R C 0.718 177.034 176.300 0.026 0.000 1.145 360 R CA 1.664 57.778 56.100 0.023 0.000 0.976 360 R CB -1.455 28.812 30.300 -0.056 0.000 0.866 360 R HN 0.221 nan 8.270 nan 0.000 0.449 361 Y N 0.479 120.903 120.300 0.206 0.000 2.470 361 Y HA 0.259 4.809 4.550 0.000 0.000 0.284 361 Y C 1.182 177.262 175.900 0.300 0.000 1.188 361 Y CA -0.203 58.032 58.100 0.225 0.000 1.269 361 Y CB 0.260 38.833 38.460 0.189 0.000 1.094 361 Y HN 0.197 nan 8.280 nan 0.000 0.518 362 N N -0.239 118.644 118.700 0.305 0.000 2.474 362 N HA -0.007 4.733 4.740 0.000 0.000 0.224 362 N C 1.919 177.514 175.510 0.143 0.000 1.092 362 N CA 0.252 53.479 53.050 0.295 0.000 0.844 362 N CB -0.107 38.487 38.487 0.177 0.000 1.381 362 N HN 0.369 nan 8.380 nan 0.000 0.458 363 R N 1.550 122.004 120.500 -0.076 0.000 2.103 363 R HA -0.106 4.234 4.340 0.000 0.000 0.242 363 R C 2.047 178.158 176.300 -0.315 0.000 1.142 363 R CA 1.208 57.047 56.100 -0.434 0.000 0.960 363 R CB -0.855 28.828 30.300 -1.028 0.000 0.858 363 R HN 0.084 nan 8.270 nan 0.000 0.439 364 L N 0.931 122.024 121.223 -0.217 0.000 1.971 364 L HA -0.132 4.208 4.340 0.000 0.000 0.215 364 L C 2.027 178.731 176.870 -0.277 0.000 1.072 364 L CA 1.808 56.462 54.840 -0.311 0.000 0.758 364 L CB -0.781 40.934 42.059 -0.575 0.000 0.889 364 L HN 0.322 nan 8.230 nan 0.000 0.433 365 W N -0.647 120.750 121.300 0.163 0.000 2.387 365 W HA -0.141 4.519 4.660 0.000 0.000 0.272 365 W C 2.289 178.881 176.519 0.122 0.000 1.224 365 W CA 0.958 58.394 57.345 0.151 0.000 1.210 365 W CB -1.134 28.422 29.460 0.160 0.000 1.125 365 W HN 0.124 nan 8.180 nan 0.000 0.572 366 T N 0.813 115.510 114.554 0.239 0.000 2.896 366 T HA -0.132 4.218 4.350 0.000 0.000 0.263 366 T C 1.728 176.470 174.700 0.071 0.000 1.050 366 T CA 1.050 63.260 62.100 0.185 0.000 1.140 366 T CB -0.385 68.589 68.868 0.176 0.000 0.877 366 T HN 0.013 nan 8.240 nan 0.000 0.457 367 L N 0.800 122.057 121.223 0.057 0.000 2.131 367 L HA 0.158 4.498 4.340 0.000 0.000 0.206 367 L C 2.028 178.845 176.870 -0.089 0.000 1.087 367 L CA 1.545 56.353 54.840 -0.053 0.000 0.767 367 L CB -0.638 41.425 42.059 0.006 0.000 0.917 367 L HN 0.099 nan 8.230 nan 0.000 0.441 368 M N -0.618 118.992 119.600 0.016 0.000 2.296 368 M HA 0.116 4.596 4.480 0.000 0.000 0.265 368 M C 1.905 178.247 176.300 0.070 0.000 1.064 368 M CA 1.208 56.545 55.300 0.062 0.000 1.109 368 M CB -1.558 31.171 32.600 0.215 0.000 1.396 368 M HN 0.511 nan 8.290 nan 0.000 0.430 369 G N 0.363 109.252 108.800 0.149 0.000 2.217 369 G HA2 -0.257 3.703 3.960 0.000 0.000 0.246 369 G HA3 -0.257 3.703 3.960 0.000 0.000 0.246 369 G C 0.170 175.369 174.900 0.497 0.000 0.990 369 G CA 0.358 45.631 45.100 0.288 0.000 0.627 369 G HN 0.486 nan 8.290 nan 0.000 0.522 370 N N 2.660 121.617 118.700 0.428 0.000 2.329 370 N HA 0.401 5.141 4.740 0.000 0.000 0.237 370 N C -2.090 173.569 175.510 0.247 0.000 1.258 370 N CA 0.066 53.327 53.050 0.352 0.000 0.866 370 N CB 0.579 39.246 38.487 0.300 0.000 1.102 370 N HN 0.283 nan 8.380 nan 0.000 0.440 371 P HA 0.169 nan 4.420 nan 0.000 0.281 371 P C -0.833 176.492 177.300 0.041 0.000 1.252 371 P CA -0.242 62.906 63.100 0.080 0.000 0.778 371 P CB 0.477 32.198 31.700 0.036 0.000 0.895 372 C N 3.341 122.660 119.300 0.032 0.000 2.498 372 C HA 0.626 5.086 4.460 0.000 0.000 0.316 372 C C 0.042 175.009 174.990 -0.038 0.000 1.209 372 C CA -0.504 58.502 59.018 -0.021 0.000 1.518 372 C CB 1.597 29.338 27.740 0.002 0.000 2.147 372 C HN 0.351 nan 8.230 nan 0.000 0.483 373 V N 2.778 122.659 119.914 -0.055 0.000 2.588 373 V HA 0.422 4.542 4.120 0.000 0.000 0.304 373 V C -0.388 175.673 176.094 -0.056 0.000 1.042 373 V CA -0.432 61.833 62.300 -0.058 0.000 0.877 373 V CB 1.962 33.760 31.823 -0.040 0.000 0.996 373 V HN 0.892 nan 8.190 nan 0.000 0.425 374 N N 3.156 121.821 118.700 -0.058 0.000 2.455 374 N HA 0.517 5.257 4.740 0.000 0.000 0.280 374 N C -1.089 174.404 175.510 -0.030 0.000 1.055 374 N CA -0.196 52.832 53.050 -0.037 0.000 0.961 374 N CB 1.565 40.037 38.487 -0.025 0.000 1.121 374 N HN 0.429 nan 8.380 nan 0.000 0.476 375 V N 5.267 125.168 119.914 -0.023 0.000 2.378 375 V HA 0.429 4.549 4.120 0.000 0.000 0.288 375 V C -2.199 173.883 176.094 -0.019 0.000 1.016 375 V CA -1.801 60.486 62.300 -0.022 0.000 0.840 375 V CB 1.540 33.349 31.823 -0.023 0.000 0.994 375 V HN 0.755 nan 8.190 nan 0.000 0.431 376 P HA 0.163 nan 4.420 nan 0.000 0.271 376 P C 0.447 177.729 177.300 -0.029 0.000 1.233 376 P CA 0.340 63.428 63.100 -0.019 0.000 0.764 376 P CB 1.235 32.925 31.700 -0.016 0.000 0.825 377 V N 4.138 124.033 119.914 -0.030 0.000 2.602 377 V HA 0.138 4.258 4.120 0.000 0.000 0.235 377 V C 0.878 176.949 176.094 -0.039 0.000 1.087 377 V CA 1.217 63.496 62.300 -0.035 0.000 1.117 377 V CB -0.423 31.383 31.823 -0.028 0.000 0.820 377 V HN 0.401 nan 8.190 nan 0.000 0.490 378 L N -1.467 119.730 121.223 -0.043 0.000 2.630 378 L HA 0.682 5.022 4.340 0.000 0.000 0.249 378 L C -1.508 175.320 176.870 -0.071 0.000 1.130 378 L CA -0.888 53.921 54.840 -0.051 0.000 0.987 378 L CB 1.384 43.419 42.059 -0.040 0.000 1.575 378 L HN 0.072 nan 8.230 nan 0.000 0.386 379 K N 0.223 120.579 120.400 -0.074 0.000 2.427 379 K HA 0.772 5.092 4.320 0.000 0.000 0.252 379 K C -1.495 175.060 176.600 -0.075 0.000 0.931 379 K CA -0.734 55.495 56.287 -0.096 0.000 0.793 379 K CB 2.991 35.422 32.500 -0.117 0.000 1.211 379 K HN 0.391 nan 8.250 nan 0.000 0.426 380 V N 1.781 121.646 119.914 -0.083 0.000 2.376 380 V HA 0.418 4.538 4.120 0.000 0.000 0.287 380 V C 0.808 176.853 176.094 -0.083 0.000 1.015 380 V CA -0.198 62.060 62.300 -0.069 0.000 0.834 380 V CB 1.000 32.786 31.823 -0.060 0.000 1.001 380 V HN 1.082 nan 8.190 nan 0.000 0.428 381 G N 3.725 112.487 108.800 -0.064 0.000 2.160 381 G HA2 0.027 3.987 3.960 0.000 0.000 0.251 381 G HA3 0.027 3.987 3.960 0.000 0.000 0.251 381 G C 1.140 175.993 174.900 -0.077 0.000 1.008 381 G CA 0.622 45.684 45.100 -0.062 0.000 0.724 381 G HN 2.251 nan 8.290 nan 0.000 0.514 382 G N -2.264 106.491 108.800 -0.075 0.000 2.176 382 G HA2 -0.152 3.808 3.960 0.000 0.000 0.253 382 G HA3 -0.152 3.808 3.960 0.000 0.000 0.253 382 G C 0.256 175.086 174.900 -0.117 0.000 0.979 382 G CA 0.517 45.575 45.100 -0.070 0.000 0.641 382 G HN 1.253 nan 8.290 nan 0.000 0.530 383 L N 1.194 122.317 121.223 -0.166 0.000 2.282 383 L HA 0.451 4.791 4.340 0.000 0.000 0.288 383 L C -1.912 174.841 176.870 -0.196 0.000 1.033 383 L CA -1.893 52.819 54.840 -0.214 0.000 0.807 383 L CB 0.949 42.833 42.059 -0.292 0.000 1.209 383 L HN -0.131 nan 8.230 nan 0.000 0.423 384 P HA 0.175 nan 4.420 nan 0.000 0.268 384 P C -0.617 176.647 177.300 -0.061 0.000 1.208 384 P CA 0.112 63.096 63.100 -0.193 0.000 0.777 384 P CB 0.793 32.340 31.700 -0.256 0.000 0.875 385 I N 1.250 121.796 120.570 -0.040 0.000 2.656 385 I HA 0.545 4.715 4.170 0.000 0.000 0.292 385 I C 0.482 176.603 176.117 0.006 0.000 1.144 385 I CA -0.166 61.138 61.300 0.006 0.000 1.038 385 I CB 1.777 39.772 38.000 -0.009 0.000 1.244 385 I HN 0.455 nan 8.210 nan 0.000 0.420 386 G N 4.316 113.132 108.800 0.028 0.000 2.818 386 G HA2 0.795 4.755 3.960 0.000 0.000 0.286 386 G HA3 0.795 4.755 3.960 0.000 0.000 0.286 386 G C -1.147 173.763 174.900 0.018 0.000 1.364 386 G CA -0.548 44.560 45.100 0.013 0.000 0.938 386 G HN 0.509 nan 8.290 nan 0.000 0.490 387 V N -2.529 117.382 119.914 -0.004 0.000 2.914 387 V HA 0.786 4.906 4.120 0.000 0.000 0.314 387 V C -0.605 175.469 176.094 -0.033 0.000 1.084 387 V CA -1.058 61.229 62.300 -0.021 0.000 0.963 387 V CB 1.675 33.470 31.823 -0.047 0.000 1.025 387 V HN 0.841 nan 8.190 nan 0.000 0.432 388 Q N 1.754 121.522 119.800 -0.054 0.000 2.347 388 Q HA 0.640 4.980 4.340 0.000 0.000 0.262 388 Q C -1.450 174.476 176.000 -0.125 0.000 0.980 388 Q CA -0.599 55.157 55.803 -0.078 0.000 0.867 388 Q CB 1.915 30.613 28.738 -0.067 0.000 1.242 388 Q HN 0.821 nan 8.270 nan 0.000 0.453 389 V N 6.598 126.451 119.914 -0.101 0.000 2.406 389 V HA 0.376 4.496 4.120 0.000 0.000 0.272 389 V C -0.041 175.979 176.094 -0.124 0.000 1.043 389 V CA -0.288 61.954 62.300 -0.098 0.000 0.915 389 V CB 0.860 32.651 31.823 -0.054 0.000 0.988 389 V HN 0.706 nan 8.190 nan 0.000 0.466 390 I N 4.324 124.807 120.570 -0.144 0.000 2.436 390 I HA 0.776 4.946 4.170 0.000 0.000 0.289 390 I C 0.317 176.470 176.117 0.061 0.000 1.010 390 I CA -0.394 60.831 61.300 -0.126 0.000 1.098 390 I CB 1.845 39.618 38.000 -0.379 0.000 1.266 390 I HN 0.669 nan 8.210 nan 0.000 0.434 391 A N 6.463 129.296 122.820 0.021 0.000 2.373 391 A HA 0.760 5.080 4.320 0.000 0.000 0.291 391 A C -0.109 177.209 177.584 -0.444 0.000 1.171 391 A CA -0.806 51.223 52.037 -0.014 0.000 0.922 391 A CB 0.949 19.954 19.000 0.009 0.000 1.400 391 A HN 0.704 nan 8.150 nan 0.000 0.474 392 R N -0.731 119.340 120.500 -0.716 0.000 2.641 392 R HA 0.217 4.557 4.340 0.000 0.000 0.269 392 R C -0.525 175.604 176.300 -0.285 0.000 1.074 392 R CA -0.269 55.288 56.100 -0.906 0.000 1.133 392 R CB 0.232 30.181 30.300 -0.584 0.000 1.029 392 R HN 0.577 nan 8.270 nan 0.000 0.488 393 F N 1.108 120.904 119.950 -0.257 0.000 2.623 393 F HA 0.051 4.578 4.527 0.001 0.000 0.383 393 F C 1.385 177.151 175.800 -0.057 0.000 1.077 393 F CA 1.836 59.792 58.000 -0.073 0.000 1.268 393 F CB 0.269 39.267 39.000 -0.003 0.000 1.053 393 F HN 0.855 nan 8.300 nan 0.000 0.571 394 G N 3.886 112.237 108.800 -0.750 0.000 2.205 394 G HA2 -0.387 3.573 3.960 0.000 0.000 0.261 394 G HA3 -0.387 3.573 3.960 0.000 0.000 0.261 394 G C 0.527 175.264 174.900 -0.272 0.000 0.980 394 G CA 0.425 45.191 45.100 -0.555 0.000 0.632 394 G HN 0.829 nan 8.290 nan 0.000 0.533 395 N N 1.028 119.614 118.700 -0.191 0.000 2.671 395 N HA 0.394 5.135 4.740 0.000 0.000 0.303 395 N C 1.089 176.574 175.510 -0.041 0.000 1.351 395 N CA 0.388 53.374 53.050 -0.107 0.000 0.991 395 N CB 0.061 38.504 38.487 -0.073 0.000 1.307 395 N HN 0.321 nan 8.380 nan 0.000 0.512 396 D N -0.093 120.278 120.400 -0.049 0.000 2.123 396 D HA -0.141 4.499 4.640 0.000 0.000 0.196 396 D C 1.859 178.228 176.300 0.115 0.000 0.992 396 D CA 1.375 55.415 54.000 0.067 0.000 0.833 396 D CB -0.015 40.908 40.800 0.206 0.000 0.954 396 D HN 0.435 nan 8.370 nan 0.000 0.455 397 A N 0.426 123.253 122.820 0.012 0.000 1.892 397 A HA -0.299 4.021 4.320 0.000 0.000 0.218 397 A C 2.073 179.731 177.584 0.123 0.000 1.188 397 A CA 2.138 54.199 52.037 0.039 0.000 0.631 397 A CB -0.967 17.959 19.000 -0.125 0.000 0.822 397 A HN 0.363 nan 8.150 nan 0.000 0.447 398 H N -0.129 118.935 119.070 -0.010 0.000 2.389 398 H HA 0.131 4.687 4.556 -0.000 0.000 0.299 398 H C 2.163 177.514 175.328 0.039 0.000 1.081 398 H CA 1.497 57.548 56.048 0.005 0.000 1.345 398 H CB -0.389 29.358 29.762 -0.024 0.000 1.393 398 H HN 0.384 nan 8.280 nan 0.000 0.520 399 A N 0.591 123.396 122.820 -0.024 0.000 1.883 399 A HA -0.119 4.201 4.320 0.000 0.000 0.217 399 A C 2.558 180.132 177.584 -0.016 0.000 1.186 399 A CA 1.641 53.636 52.037 -0.071 0.000 0.624 399 A CB -0.940 18.053 19.000 -0.012 0.000 0.822 399 A HN 0.465 nan 8.150 nan 0.000 0.444 400 L N -0.924 120.339 121.223 0.066 0.000 2.093 400 L HA -0.159 4.181 4.340 0.000 0.000 0.208 400 L C 3.075 180.059 176.870 0.191 0.000 1.085 400 L CA 0.913 55.824 54.840 0.120 0.000 0.755 400 L CB -0.541 41.617 42.059 0.166 0.000 0.904 400 L HN 0.446 nan 8.230 nan 0.000 0.435 401 A N -0.379 122.540 122.820 0.164 0.000 1.877 401 A HA -0.185 4.135 4.320 0.000 0.000 0.216 401 A C 2.359 180.037 177.584 0.156 0.000 1.186 401 A CA 2.305 54.452 52.037 0.184 0.000 0.620 401 A CB -0.872 18.217 19.000 0.148 0.000 0.822 401 A HN 0.351 nan 8.150 nan 0.000 0.443 402 T N 0.008 114.569 114.554 0.011 0.000 2.951 402 T HA 0.107 4.457 4.350 0.000 0.000 0.268 402 T C 2.108 176.928 174.700 0.199 0.000 1.073 402 T CA 1.205 63.332 62.100 0.046 0.000 1.134 402 T CB -0.259 68.490 68.868 -0.198 0.000 0.884 402 T HN 0.563 nan 8.240 nan 0.000 0.479 403 A N 0.682 123.583 122.820 0.135 0.000 1.929 403 A HA -0.044 4.276 4.320 0.000 0.000 0.216 403 A C 2.064 179.768 177.584 0.199 0.000 1.176 403 A CA 0.833 52.941 52.037 0.119 0.000 0.628 403 A CB -0.825 18.210 19.000 0.058 0.000 0.816 403 A HN 0.622 nan 8.150 nan 0.000 0.444 404 W N 0.207 121.533 121.300 0.044 0.000 2.363 404 W HA -0.171 4.489 4.660 -0.000 0.000 0.296 404 W C 1.810 178.359 176.519 0.051 0.000 1.212 404 W CA 1.209 58.577 57.345 0.039 0.000 1.260 404 W CB -0.906 28.587 29.460 0.054 0.000 1.131 404 W HN 0.436 nan 8.180 nan 0.000 0.530 405 F N 0.697 120.757 119.950 0.182 0.000 2.102 405 F HA -0.188 4.339 4.527 0.000 0.000 0.298 405 F C 2.297 178.136 175.800 0.064 0.000 1.105 405 F CA 2.070 60.102 58.000 0.054 0.000 1.239 405 F CB -1.040 37.962 39.000 0.003 0.000 0.991 405 F HN -0.190 nan 8.300 nan 0.000 0.474 406 L N 0.290 121.370 121.223 -0.237 0.000 2.083 406 L HA -0.203 4.137 4.340 0.000 0.000 0.209 406 L C 2.345 179.081 176.870 -0.224 0.000 1.083 406 L CA 1.794 56.423 54.840 -0.351 0.000 0.752 406 L CB -0.514 41.500 42.059 -0.075 0.000 0.899 406 L HN 0.283 nan 8.230 nan 0.000 0.433 407 E N -0.311 119.850 120.200 -0.064 0.000 2.077 407 E HA -0.242 4.108 4.350 0.000 0.000 0.193 407 E C 1.675 178.254 176.600 -0.034 0.000 0.989 407 E CA 1.434 57.821 56.400 -0.021 0.000 0.800 407 E CB -0.045 29.680 29.700 0.042 0.000 0.746 407 E HN 0.547 nan 8.360 nan 0.000 0.452 408 D N 0.540 120.924 120.400 -0.026 0.000 2.117 408 D HA -0.090 4.550 4.640 0.000 0.000 0.198 408 D C 1.963 178.179 176.300 -0.140 0.000 0.982 408 D CA 1.176 55.153 54.000 -0.039 0.000 0.828 408 D CB -0.256 40.540 40.800 -0.006 0.000 0.967 408 D HN 0.136 nan 8.370 nan 0.000 0.464 409 A N 0.850 123.481 122.820 -0.315 0.000 1.940 409 A HA -0.139 4.181 4.320 0.000 0.000 0.219 409 A C 2.355 179.832 177.584 -0.177 0.000 1.176 409 A CA 0.970 52.815 52.037 -0.319 0.000 0.631 409 A CB -0.741 17.908 19.000 -0.585 0.000 0.814 409 A HN 0.217 nan 8.150 nan 0.000 0.446 410 L N -1.290 119.842 121.223 -0.152 0.000 2.240 410 L HA -0.062 4.278 4.340 0.000 0.000 0.211 410 L C 2.793 179.627 176.870 -0.061 0.000 1.106 410 L CA 0.735 55.520 54.840 -0.093 0.000 0.793 410 L CB -0.298 41.713 42.059 -0.079 0.000 0.927 410 L HN 0.423 nan 8.230 nan 0.000 0.446 411 A N -1.070 121.717 122.820 -0.054 0.000 2.169 411 A HA 0.022 4.343 4.320 0.000 0.000 0.212 411 A C 0.633 178.200 177.584 -0.028 0.000 1.153 411 A CA 0.160 52.179 52.037 -0.030 0.000 0.756 411 A CB 0.002 18.995 19.000 -0.012 0.000 0.813 411 A HN 0.257 nan 8.150 nan 0.000 0.471 412 K N 0.000 120.375 120.400 -0.042 0.000 2.780 412 K HA 0.000 4.320 4.320 0.000 0.000 0.191 412 K CA 0.000 56.267 56.287 -0.034 0.000 0.838 412 K CB 0.000 32.486 32.500 -0.024 0.000 1.064 412 K HN 0.000 nan 8.250 nan 0.000 0.543