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 2q3r_1_A DATA FIRST_RESID 9 DATA SEQUENCE SVPLLTPYKM GRFNLSHRVV LAPLTRQRSY GNVPQPHAAI YYSQRTTPGG DATA SEQUENCE FLITEATGVS DTAQGYQDTP GIWTKEHVEA WKPIVDAVHA KGGIFFCQIW DATA SEQUENCE HVGRVSNSGF QPNGKAPISC SDKPLMPQIR SNGIDEALFT PPRRLGIEEI DATA SEQUENCE PGIVNDFRLA ARNAMEAGFD GVEIHGANGY LIDQFMKDTV NDRTDEYGGS DATA SEQUENCE LQNRCKFPLE IVDAVAKEIG PDRVGIRLSP FADYMESGDT NPGALGLYMA DATA SEQUENCE ESLNKYGILY CHVIEARMXX XXXXXXXXHT LMPMRKAFKG TFISAGGFTR DATA SEQUENCE EDGNEAVSKG RTDLVAYGRW FLANPDLPKR FQVDAPLNKY DRPTFYTSDP DATA SEQUENCE VVGYTDYPFL E 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.605 174.600 0.009 0.000 1.055 9 S CA 0.000 58.207 58.200 0.011 0.000 1.107 9 S CB 0.000 63.203 63.200 0.005 0.000 0.593 10 V N 4.567 124.486 119.914 0.009 0.000 2.427 10 V HA 0.269 4.389 4.120 0.001 0.000 0.268 10 V C -1.487 174.616 176.094 0.014 0.000 1.046 10 V CA -0.996 61.306 62.300 0.002 0.000 0.970 10 V CB 0.773 32.594 31.823 -0.003 0.000 1.001 10 V HN 0.346 nan 8.190 nan 0.000 0.476 11 P HA -0.223 nan 4.420 nan 0.000 0.217 11 P C 1.809 179.128 177.300 0.031 0.000 1.158 11 P CA 1.505 64.616 63.100 0.018 0.000 0.887 11 P CB 0.167 31.870 31.700 0.005 0.000 0.792 12 L N -1.708 119.527 121.223 0.021 0.000 2.187 12 L HA -0.134 4.206 4.340 0.001 0.000 0.213 12 L C 1.855 178.790 176.870 0.110 0.000 1.100 12 L CA 0.895 55.768 54.840 0.055 0.000 0.765 12 L CB -0.510 41.571 42.059 0.037 0.000 0.904 12 L HN 0.046 nan 8.230 nan 0.000 0.437 13 L N -0.134 121.142 121.223 0.088 0.000 2.629 13 L HA 0.093 4.434 4.340 0.001 0.000 0.230 13 L C 0.826 177.771 176.870 0.124 0.000 1.151 13 L CA 0.331 55.244 54.840 0.121 0.000 0.924 13 L CB -1.064 41.034 42.059 0.066 0.000 1.137 13 L HN 0.307 nan 8.230 nan 0.000 0.457 14 T N -1.717 112.900 114.554 0.105 0.000 2.856 14 T HA 0.400 4.750 4.350 0.001 0.000 0.292 14 T C -2.417 172.358 174.700 0.125 0.000 0.980 14 T CA -1.772 60.387 62.100 0.097 0.000 1.091 14 T CB 1.387 70.303 68.868 0.080 0.000 0.936 14 T HN -0.117 nan 8.240 nan 0.000 0.503 15 P HA 0.228 nan 4.420 nan 0.000 0.270 15 P C -1.408 175.996 177.300 0.174 0.000 1.227 15 P CA -0.141 63.026 63.100 0.111 0.000 0.788 15 P CB 0.162 31.901 31.700 0.065 0.000 0.926 16 Y N 0.094 120.396 120.300 0.004 0.000 2.436 16 Y HA 0.434 4.985 4.550 0.001 0.000 0.327 16 Y C -1.033 174.865 175.900 -0.004 0.000 1.138 16 Y CA -1.188 56.912 58.100 0.001 0.000 1.042 16 Y CB 1.490 39.946 38.460 -0.007 0.000 1.302 16 Y HN 0.048 nan 8.280 nan 0.000 0.439 17 K N 5.991 125.897 120.400 -0.823 0.000 2.227 17 K HA 0.491 4.811 4.320 0.001 0.000 0.280 17 K C -1.119 175.019 176.600 -0.770 0.000 1.041 17 K CA -0.392 55.555 56.287 -0.567 0.000 0.905 17 K CB 0.733 33.021 32.500 -0.355 0.000 1.068 17 K HN 0.815 nan 8.250 nan 0.000 0.470 18 M N 4.971 124.427 119.600 -0.240 0.000 2.046 18 M HA 0.297 4.778 4.480 0.001 0.000 0.309 18 M C 0.649 177.032 176.300 0.137 0.000 0.935 18 M CA 0.498 55.812 55.300 0.024 0.000 0.915 18 M CB 0.876 33.562 32.600 0.142 0.000 1.474 18 M HN 0.849 nan 8.290 nan 0.000 0.415 19 G N 4.402 113.253 108.800 0.086 0.000 4.328 19 G HA2 -0.396 3.565 3.960 0.001 0.000 0.222 19 G HA3 -0.396 3.565 3.960 0.001 0.000 0.222 19 G C 0.627 175.486 174.900 -0.068 0.000 1.366 19 G CA 1.177 46.318 45.100 0.068 0.000 1.115 19 G HN 0.674 nan 8.290 nan 0.000 0.667 20 R N -1.290 119.109 120.500 -0.169 0.000 2.344 20 R HA 0.312 4.652 4.340 0.001 0.000 0.186 20 R C -0.749 175.320 176.300 -0.385 0.000 0.603 20 R CA -0.109 55.807 56.100 -0.306 0.000 0.827 20 R CB -0.336 29.734 30.300 -0.385 0.000 1.419 20 R HN 0.336 nan 8.270 nan 0.000 0.489 21 F N 0.853 120.766 119.950 -0.061 0.000 2.421 21 F HA 0.496 5.024 4.527 0.001 0.000 0.337 21 F C 0.496 176.245 175.800 -0.084 0.000 1.105 21 F CA -0.861 57.104 58.000 -0.059 0.000 1.049 21 F CB 1.067 40.022 39.000 -0.075 0.000 1.139 21 F HN -0.189 nan 8.300 nan 0.000 0.479 22 N N 4.381 123.150 118.700 0.115 0.000 2.420 22 N HA 0.324 5.064 4.740 0.001 0.000 0.249 22 N C -0.969 174.568 175.510 0.046 0.000 1.033 22 N CA -0.178 52.898 53.050 0.042 0.000 0.944 22 N CB 1.131 39.631 38.487 0.021 0.000 1.113 22 N HN 0.472 nan 8.380 nan 0.000 0.502 23 L N 1.490 122.728 121.223 0.026 0.000 2.295 23 L HA 0.251 4.591 4.340 0.001 0.000 0.285 23 L C 1.477 178.336 176.870 -0.020 0.000 1.035 23 L CA -0.373 54.461 54.840 -0.010 0.000 0.806 23 L CB 1.465 43.528 42.059 0.006 0.000 1.214 23 L HN 0.428 nan 8.230 nan 0.000 0.426 24 S N 0.501 116.156 115.700 -0.074 0.000 2.481 24 S HA -0.042 4.429 4.470 0.001 0.000 0.231 24 S C -0.014 174.638 174.600 0.087 0.000 0.996 24 S CA 0.703 58.909 58.200 0.010 0.000 0.942 24 S CB -0.275 62.966 63.200 0.067 0.000 0.768 24 S HN 0.845 nan 8.310 nan 0.000 0.520 25 H N -2.525 116.603 119.070 0.096 0.000 2.948 25 H HA 0.590 5.146 4.556 0.001 0.000 0.315 25 H C -0.360 175.029 175.328 0.102 0.000 1.360 25 H CA -1.118 54.985 56.048 0.091 0.000 1.125 25 H CB 0.487 30.294 29.762 0.075 0.000 1.844 25 H HN -0.207 nan 8.280 nan 0.000 0.529 26 R N 0.289 120.951 120.500 0.270 0.000 2.427 26 R HA 0.313 4.654 4.340 0.001 0.000 0.262 26 R C -0.497 175.944 176.300 0.234 0.000 0.943 26 R CA -0.047 56.144 56.100 0.151 0.000 1.081 26 R CB 0.691 31.007 30.300 0.026 0.000 1.166 26 R HN 0.283 nan 8.270 nan 0.000 0.534 27 V N 2.266 122.473 119.914 0.488 0.000 2.387 27 V HA 0.117 4.238 4.120 0.001 0.000 0.260 27 V C 0.145 176.526 176.094 0.478 0.000 1.054 27 V CA -0.350 62.218 62.300 0.446 0.000 0.967 27 V CB 1.069 33.016 31.823 0.207 0.000 1.036 27 V HN -0.078 nan 8.190 nan 0.000 0.481 28 V N 6.436 126.555 119.914 0.342 0.000 2.439 28 V HA 0.315 4.435 4.120 0.001 0.000 0.282 28 V C 0.057 176.272 176.094 0.201 0.000 1.039 28 V CA -0.683 61.722 62.300 0.175 0.000 0.913 28 V CB 1.658 33.428 31.823 -0.089 0.000 0.983 28 V HN 0.716 nan 8.190 nan 0.000 0.460 29 L N 5.780 126.966 121.223 -0.062 0.000 2.385 29 L HA 0.574 4.914 4.340 0.001 0.000 0.281 29 L C 0.704 177.430 176.870 -0.241 0.000 1.106 29 L CA 0.404 54.984 54.840 -0.433 0.000 0.856 29 L CB 0.137 41.635 42.059 -0.935 0.000 1.186 29 L HN 0.792 nan 8.230 nan 0.000 0.453 30 A N 7.973 130.738 122.820 -0.092 0.000 2.445 30 A HA 0.494 4.815 4.320 0.001 0.000 0.242 30 A C -2.271 175.265 177.584 -0.080 0.000 1.075 30 A CA -1.072 50.931 52.037 -0.057 0.000 0.777 30 A CB -0.687 18.314 19.000 0.001 0.000 1.013 30 A HN 0.709 nan 8.150 nan 0.000 0.493 31 P HA 0.222 nan 4.420 nan 0.000 0.268 31 P C -1.096 176.160 177.300 -0.074 0.000 1.204 31 P CA 0.560 63.611 63.100 -0.081 0.000 0.768 31 P CB 0.365 31.963 31.700 -0.171 0.000 0.842 32 L N 2.845 124.058 121.223 -0.017 0.000 2.471 32 L HA 0.228 4.569 4.340 0.001 0.000 0.263 32 L C 0.349 177.198 176.870 -0.035 0.000 0.985 32 L CA -0.451 54.360 54.840 -0.047 0.000 0.868 32 L CB 1.630 43.664 42.059 -0.041 0.000 1.203 32 L HN 0.192 nan 8.230 nan 0.000 0.429 33 T N 3.090 117.597 114.554 -0.077 0.000 2.793 33 T HA 0.115 4.466 4.350 0.001 0.000 0.289 33 T C 1.081 175.775 174.700 -0.010 0.000 0.956 33 T CA -0.087 61.974 62.100 -0.065 0.000 1.177 33 T CB 0.374 69.185 68.868 -0.096 0.000 0.897 33 T HN 0.399 nan 8.240 nan 0.000 0.533 34 R N 2.114 122.585 120.500 -0.049 0.000 2.404 34 R HA 0.140 4.480 4.340 0.001 0.000 0.237 34 R C 0.622 176.877 176.300 -0.075 0.000 0.907 34 R CA -0.098 55.936 56.100 -0.111 0.000 1.063 34 R CB 0.036 30.197 30.300 -0.233 0.000 1.134 34 R HN 0.745 nan 8.270 nan 0.000 0.529 35 Q N 0.830 120.619 119.800 -0.019 0.000 2.452 35 Q HA -0.211 4.129 4.340 0.001 0.000 0.318 35 Q C -0.228 175.722 176.000 -0.084 0.000 1.386 35 Q CA 0.674 56.487 55.803 0.017 0.000 0.872 35 Q CB -1.086 27.736 28.738 0.141 0.000 1.151 35 Q HN 0.296 nan 8.270 nan 0.000 0.417 36 R N -0.746 119.600 120.500 -0.258 0.000 2.592 36 R HA 0.154 4.494 4.340 0.001 0.000 0.439 36 R C -0.435 175.464 176.300 -0.668 0.000 0.995 36 R CA -0.107 55.723 56.100 -0.450 0.000 1.141 36 R CB 1.070 30.974 30.300 -0.660 0.000 1.495 36 R HN -0.057 nan 8.270 nan 0.000 0.579 37 S N 1.550 116.996 115.700 -0.423 0.000 3.315 37 S HA 0.231 4.702 4.470 0.001 0.000 0.195 37 S C -0.392 174.067 174.600 -0.236 0.000 1.394 37 S CA -0.586 57.365 58.200 -0.415 0.000 0.983 37 S CB -0.265 62.756 63.200 -0.297 0.000 1.370 37 S HN 0.219 nan 8.310 nan 0.000 0.491 38 Y N 1.219 121.490 120.300 -0.050 0.000 2.954 38 Y HA -0.028 4.522 4.550 0.001 0.000 0.351 38 Y C 1.729 177.614 175.900 -0.025 0.000 1.282 38 Y CA 0.528 58.616 58.100 -0.019 0.000 1.614 38 Y CB -0.221 38.236 38.460 -0.005 0.000 1.183 38 Y HN 0.784 nan 8.280 nan 0.000 0.566 39 G N 2.564 111.468 108.800 0.172 0.000 2.166 39 G HA2 -0.436 3.524 3.960 0.001 0.000 0.260 39 G HA3 -0.436 3.524 3.960 0.001 0.000 0.260 39 G C 0.246 175.183 174.900 0.062 0.000 0.986 39 G CA 0.539 45.708 45.100 0.114 0.000 0.683 39 G HN 1.066 nan 8.290 nan 0.000 0.527 40 N N -3.376 115.322 118.700 -0.002 0.000 3.003 40 N HA -0.172 4.568 4.740 0.001 0.000 0.237 40 N C -0.022 175.207 175.510 -0.469 0.000 0.969 40 N CA 0.459 53.425 53.050 -0.140 0.000 0.941 40 N CB -1.071 37.392 38.487 -0.041 0.000 1.098 40 N HN 0.716 nan 8.380 nan 0.000 0.563 41 V N 0.690 120.430 119.914 -0.290 0.000 2.398 41 V HA 0.443 4.564 4.120 0.001 0.000 0.286 41 V C -2.034 173.842 176.094 -0.363 0.000 1.026 41 V CA -1.620 60.494 62.300 -0.310 0.000 0.868 41 V CB 1.461 33.231 31.823 -0.088 0.000 0.982 41 V HN -0.170 nan 8.190 nan 0.000 0.443 42 P HA 0.080 nan 4.420 nan 0.000 0.265 42 P C -0.538 176.464 177.300 -0.497 0.000 1.187 42 P CA 0.201 62.893 63.100 -0.680 0.000 0.766 42 P CB 0.407 31.406 31.700 -1.168 0.000 0.820 43 Q N 3.867 123.315 119.800 -0.586 0.000 2.241 43 Q HA 0.283 4.623 4.340 0.001 0.000 0.262 43 Q C -1.725 173.922 176.000 -0.589 0.000 1.014 43 Q CA -2.131 53.264 55.803 -0.679 0.000 0.885 43 Q CB -0.012 27.972 28.738 -1.257 0.000 1.311 43 Q HN 0.209 nan 8.270 nan 0.000 0.461 44 P HA -0.204 nan 4.420 nan 0.000 0.217 44 P C 0.941 178.200 177.300 -0.068 0.000 1.148 44 P CA 1.566 64.574 63.100 -0.154 0.000 0.828 44 P CB 0.094 31.776 31.700 -0.029 0.000 0.783 45 H N -0.438 118.671 119.070 0.066 0.000 2.319 45 H HA -0.050 4.507 4.556 0.001 0.000 0.299 45 H C 1.961 177.414 175.328 0.208 0.000 1.092 45 H CA 1.495 57.642 56.048 0.166 0.000 1.302 45 H CB -1.502 28.422 29.762 0.270 0.000 1.373 45 H HN 0.041 nan 8.280 nan 0.000 0.497 46 A N 2.288 125.223 122.820 0.192 0.000 1.940 46 A HA -0.262 4.059 4.320 0.001 0.000 0.221 46 A C 2.868 180.599 177.584 0.244 0.000 1.190 46 A CA 2.850 55.031 52.037 0.240 0.000 0.647 46 A CB -1.288 17.805 19.000 0.155 0.000 0.821 46 A HN 0.614 nan 8.150 nan 0.000 0.457 47 A N -0.129 122.773 122.820 0.136 0.000 1.884 47 A HA -0.186 4.134 4.320 0.001 0.000 0.219 47 A C 2.062 179.697 177.584 0.085 0.000 1.197 47 A CA 2.018 54.116 52.037 0.102 0.000 0.637 47 A CB -0.592 18.438 19.000 0.050 0.000 0.827 47 A HN 0.482 nan 8.150 nan 0.000 0.450 48 I N -1.932 118.691 120.570 0.090 0.000 2.133 48 I HA -0.194 3.976 4.170 0.001 0.000 0.238 48 I C 2.387 178.520 176.117 0.026 0.000 1.074 48 I CA 1.626 62.966 61.300 0.068 0.000 1.342 48 I CB -1.839 36.215 38.000 0.091 0.000 1.053 48 I HN 0.545 nan 8.210 nan 0.000 0.404 49 Y N 1.702 121.877 120.300 -0.208 0.000 2.002 49 Y HA -0.364 4.187 4.550 0.001 0.000 0.268 49 Y C 2.747 178.433 175.900 -0.358 0.000 1.177 49 Y CA 2.087 59.904 58.100 -0.471 0.000 1.111 49 Y CB -1.032 36.866 38.460 -0.936 0.000 0.952 49 Y HN 0.112 nan 8.280 nan 0.000 0.491 50 Y N -0.910 119.265 120.300 -0.209 0.000 2.314 50 Y HA -0.131 4.420 4.550 0.001 0.000 0.293 50 Y C 3.075 178.770 175.900 -0.342 0.000 1.129 50 Y CA 1.486 59.357 58.100 -0.381 0.000 1.201 50 Y CB -1.015 37.276 38.460 -0.282 0.000 0.999 50 Y HN 0.224 nan 8.280 nan 0.000 0.541 51 S N -0.229 115.428 115.700 -0.072 0.000 2.382 51 S HA -0.224 4.246 4.470 0.001 0.000 0.228 51 S C 1.897 176.489 174.600 -0.012 0.000 1.027 51 S CA 1.409 59.572 58.200 -0.061 0.000 0.991 51 S CB -0.189 63.000 63.200 -0.018 0.000 0.823 51 S HN 0.553 nan 8.310 nan 0.000 0.469 52 Q N -0.178 119.620 119.800 -0.003 0.000 2.226 52 Q HA 0.003 4.343 4.340 0.001 0.000 0.204 52 Q C 1.826 177.857 176.000 0.052 0.000 0.975 52 Q CA 1.009 56.886 55.803 0.122 0.000 0.866 52 Q CB -0.074 28.699 28.738 0.059 0.000 0.915 52 Q HN 0.458 nan 8.270 nan 0.000 0.440 53 R N -0.102 120.335 120.500 -0.105 0.000 2.359 53 R HA 0.125 4.465 4.340 0.001 0.000 0.231 53 R C -0.014 176.304 176.300 0.029 0.000 0.913 53 R CA 0.066 56.133 56.100 -0.055 0.000 1.075 53 R CB 0.684 30.738 30.300 -0.409 0.000 1.087 53 R HN -0.022 nan 8.270 nan 0.000 0.515 54 T N 1.057 115.618 114.554 0.011 0.000 2.882 54 T HA 0.289 4.639 4.350 0.001 0.000 0.287 54 T C 0.246 175.011 174.700 0.108 0.000 0.992 54 T CA -0.276 61.843 62.100 0.033 0.000 1.076 54 T CB 1.651 70.491 68.868 -0.047 0.000 0.961 54 T HN 0.172 nan 8.240 nan 0.000 0.490 55 T N 0.396 115.039 114.554 0.149 0.000 2.906 55 T HA 0.543 4.894 4.350 0.001 0.000 0.295 55 T C -3.175 171.605 174.700 0.133 0.000 1.075 55 T CA -2.643 59.557 62.100 0.168 0.000 1.005 55 T CB 1.394 70.435 68.868 0.288 0.000 1.136 55 T HN 0.086 nan 8.240 nan 0.000 0.498 56 P HA 0.270 nan 4.420 nan 0.000 0.256 56 P C 1.003 178.350 177.300 0.079 0.000 1.189 56 P CA 1.283 64.433 63.100 0.084 0.000 0.808 56 P CB -0.361 31.382 31.700 0.071 0.000 0.793 57 G N 2.655 111.497 108.800 0.070 0.000 2.160 57 G HA2 -0.125 3.835 3.960 0.001 0.000 0.244 57 G HA3 -0.125 3.835 3.960 0.001 0.000 0.244 57 G C 0.465 175.347 174.900 -0.030 0.000 1.022 57 G CA -0.389 44.735 45.100 0.041 0.000 0.741 57 G HN 0.816 nan 8.290 nan 0.000 0.508 58 G N -0.710 108.104 108.800 0.022 0.000 2.367 58 G HA2 0.593 4.554 3.960 0.001 0.000 0.314 58 G HA3 0.593 4.554 3.960 0.001 0.000 0.314 58 G C -0.357 174.625 174.900 0.137 0.000 1.130 58 G CA -0.802 44.292 45.100 -0.009 0.000 0.864 58 G HN 0.657 nan 8.290 nan 0.000 0.486 59 F N 2.107 122.018 119.950 -0.066 0.000 2.411 59 F HA 0.609 5.136 4.527 0.001 0.000 0.350 59 F C -0.821 174.979 175.800 -0.001 0.000 1.114 59 F CA -1.096 56.867 58.000 -0.061 0.000 1.135 59 F CB 0.949 39.852 39.000 -0.162 0.000 1.120 59 F HN 0.113 nan 8.300 nan 0.000 0.495 60 L N 7.165 128.311 121.223 -0.129 0.000 2.365 60 L HA 0.506 4.846 4.340 0.001 0.000 0.273 60 L C -0.708 175.979 176.870 -0.306 0.000 1.000 60 L CA -0.404 54.321 54.840 -0.193 0.000 0.819 60 L CB 2.041 44.159 42.059 0.098 0.000 1.284 60 L HN 0.472 nan 8.230 nan 0.000 0.418 61 I N 1.379 121.755 120.570 -0.323 0.000 2.406 61 I HA 0.384 4.555 4.170 0.001 0.000 0.290 61 I C 0.484 176.575 176.117 -0.043 0.000 0.999 61 I CA -0.624 60.529 61.300 -0.245 0.000 1.124 61 I CB 2.014 39.843 38.000 -0.285 0.000 1.289 61 I HN 0.685 nan 8.210 nan 0.000 0.441 62 T N 2.226 116.707 114.554 -0.121 0.000 2.813 62 T HA 0.188 4.539 4.350 0.001 0.000 0.297 62 T C 0.314 175.061 174.700 0.078 0.000 1.036 62 T CA -0.800 61.323 62.100 0.039 0.000 1.044 62 T CB 0.724 69.494 68.868 -0.163 0.000 0.993 62 T HN 0.671 nan 8.240 nan 0.000 0.535 63 E N 0.873 121.228 120.200 0.258 0.000 2.425 63 E HA 0.336 4.687 4.350 0.001 0.000 0.258 63 E C 0.260 176.745 176.600 -0.191 0.000 1.151 63 E CA -0.815 55.605 56.400 0.034 0.000 0.958 63 E CB 0.236 29.994 29.700 0.097 0.000 0.968 63 E HN 0.886 nan 8.360 nan 0.000 0.451 64 A N 1.939 124.448 122.820 -0.518 0.000 2.531 64 A HA 0.203 4.523 4.320 0.001 0.000 0.236 64 A C -0.180 176.929 177.584 -0.793 0.000 1.062 64 A CA 0.151 51.586 52.037 -1.003 0.000 0.760 64 A CB 0.079 17.805 19.000 -2.124 0.000 0.995 64 A HN 0.567 nan 8.150 nan 0.000 0.501 65 T N 2.202 116.460 114.554 -0.494 0.000 2.906 65 T HA 0.517 4.868 4.350 0.001 0.000 0.302 65 T C 0.522 175.447 174.700 0.374 0.000 1.002 65 T CA 0.224 62.362 62.100 0.064 0.000 0.988 65 T CB 1.232 70.121 68.868 0.035 0.000 0.972 65 T HN 1.166 nan 8.240 nan 0.000 0.447 66 G N 1.225 110.447 108.800 0.704 0.000 2.368 66 G HA2 0.226 4.186 3.960 0.001 0.000 0.233 66 G HA3 0.226 4.186 3.960 0.001 0.000 0.233 66 G C 1.286 176.411 174.900 0.375 0.000 1.267 66 G CA 0.002 45.409 45.100 0.512 0.000 0.873 66 G HN 0.812 nan 8.290 nan 0.000 0.539 67 V N -0.585 119.355 119.914 0.042 0.000 3.174 67 V HA 0.332 4.452 4.120 0.001 0.000 0.254 67 V C 1.045 177.047 176.094 -0.152 0.000 1.120 67 V CA 1.279 63.550 62.300 -0.048 0.000 1.114 67 V CB -0.395 31.207 31.823 -0.369 0.000 0.756 67 V HN 0.561 nan 8.190 nan 0.000 0.467 68 S N 0.846 116.165 115.700 -0.635 0.000 2.790 68 S HA 0.343 4.813 4.470 0.001 0.000 0.292 68 S C -0.040 173.228 174.600 -2.219 0.000 1.197 68 S CA 0.168 57.542 58.200 -1.377 0.000 0.851 68 S CB 1.596 64.416 63.200 -0.634 0.000 1.217 68 S HN 0.537 nan 8.310 nan 0.000 0.526 69 D N 0.481 119.944 120.400 -1.561 0.000 2.363 69 D HA -0.025 4.615 4.640 0.001 0.000 0.220 69 D C 1.237 177.292 176.300 -0.407 0.000 0.994 69 D CA 1.101 54.647 54.000 -0.756 0.000 0.890 69 D CB -0.434 40.272 40.800 -0.157 0.000 0.906 69 D HN 0.539 nan 8.370 nan 0.000 0.530 70 T N -4.812 109.466 114.554 -0.461 0.000 3.043 70 T HA 0.552 4.902 4.350 0.001 0.000 0.272 70 T C 1.659 175.998 174.700 -0.603 0.000 0.990 70 T CA 0.032 61.947 62.100 -0.308 0.000 0.897 70 T CB 0.302 69.102 68.868 -0.114 0.000 1.111 70 T HN 0.115 nan 8.240 nan 0.000 0.529 71 A N 0.913 123.199 122.820 -0.889 0.000 2.066 71 A HA 0.209 4.530 4.320 0.001 0.000 0.218 71 A C 1.182 178.206 177.584 -0.934 0.000 1.157 71 A CA 0.476 51.715 52.037 -1.330 0.000 0.670 71 A CB -0.353 18.146 19.000 -0.834 0.000 0.804 71 A HN 0.504 nan 8.150 nan 0.000 0.453 72 Q N -1.347 118.118 119.800 -0.558 0.000 2.394 72 Q HA 0.494 4.835 4.340 0.001 0.000 0.248 72 Q C 0.781 176.489 176.000 -0.487 0.000 0.992 72 Q CA 0.996 56.547 55.803 -0.420 0.000 0.888 72 Q CB 0.861 29.546 28.738 -0.088 0.000 1.257 72 Q HN 0.270 nan 8.270 nan 0.000 0.462 73 G N -0.306 108.149 108.800 -0.574 0.000 4.385 73 G HA2 0.340 4.300 3.960 0.001 0.000 0.283 73 G HA3 0.340 4.300 3.960 0.001 0.000 0.283 73 G C -0.731 173.279 174.900 -1.485 0.000 1.020 73 G CA 0.084 44.656 45.100 -0.879 0.000 0.790 73 G HN 0.465 nan 8.290 nan 0.000 0.420 74 Y N -0.740 119.010 120.300 -0.917 0.000 3.050 74 Y HA 0.621 5.171 4.550 0.001 0.000 0.281 74 Y C -0.565 175.374 175.900 0.064 0.000 1.866 74 Y CA -1.156 56.696 58.100 -0.413 0.000 1.068 74 Y CB 0.869 39.310 38.460 -0.032 0.000 2.212 74 Y HN -0.063 nan 8.280 nan 0.000 0.410 75 Q N 0.364 120.414 119.800 0.417 0.000 2.394 75 Q HA 0.372 4.712 4.340 0.001 0.000 0.273 75 Q C -1.485 174.668 176.000 0.254 0.000 1.089 75 Q CA -0.703 55.307 55.803 0.344 0.000 0.812 75 Q CB 1.869 30.796 28.738 0.315 0.000 1.353 75 Q HN 0.516 nan 8.270 nan 0.000 0.438 76 D N -0.070 120.458 120.400 0.213 0.000 2.911 76 D HA -0.148 4.493 4.640 0.001 0.000 0.227 76 D C -0.645 175.713 176.300 0.097 0.000 1.164 76 D CA 1.685 55.772 54.000 0.145 0.000 0.782 76 D CB -1.523 39.369 40.800 0.154 0.000 1.094 76 D HN 0.695 nan 8.370 nan 0.000 0.425 77 T N -1.657 113.002 114.554 0.174 0.000 2.806 77 T HA 0.530 4.880 4.350 0.001 0.000 0.290 77 T C -2.301 172.500 174.700 0.169 0.000 0.966 77 T CA -1.670 60.543 62.100 0.188 0.000 1.060 77 T CB 2.529 71.636 68.868 0.398 0.000 0.927 77 T HN -0.147 nan 8.240 nan 0.000 0.485 78 P HA 0.249 nan 4.420 nan 0.000 0.266 78 P C 0.336 177.757 177.300 0.201 0.000 1.195 78 P CA 0.065 63.186 63.100 0.035 0.000 0.768 78 P CB 0.548 32.271 31.700 0.037 0.000 0.838 79 G N 1.275 110.053 108.800 -0.038 0.000 2.491 79 G HA2 0.487 4.447 3.960 0.001 0.000 0.327 79 G HA3 0.487 4.447 3.960 0.001 0.000 0.327 79 G C -0.562 174.574 174.900 0.393 0.000 1.189 79 G CA -0.501 44.798 45.100 0.331 0.000 0.956 79 G HN 0.491 nan 8.290 nan 0.000 0.491 80 I N 0.239 121.111 120.570 0.504 0.000 3.241 80 I HA 0.354 4.524 4.170 0.001 0.000 0.333 80 I C 0.444 176.765 176.117 0.340 0.000 1.534 80 I CA -1.657 59.817 61.300 0.290 0.000 0.979 80 I CB -0.048 37.932 38.000 -0.033 0.000 1.497 80 I HN 0.687 nan 8.210 nan 0.000 0.530 81 W N 1.025 122.469 121.300 0.239 0.000 2.975 81 W HA 0.466 5.126 4.660 0.001 0.000 0.316 81 W C 0.222 176.701 176.519 -0.067 0.000 1.131 81 W CA 0.394 57.770 57.345 0.052 0.000 1.624 81 W CB -0.702 28.781 29.460 0.038 0.000 1.038 81 W HN 0.209 nan 8.180 nan 0.000 0.571 82 T N -1.157 112.984 114.554 -0.688 0.000 2.859 82 T HA 0.355 4.705 4.350 0.001 0.000 0.281 82 T C 0.811 175.323 174.700 -0.314 0.000 1.005 82 T CA -0.652 61.080 62.100 -0.613 0.000 1.025 82 T CB 2.378 70.630 68.868 -1.027 0.000 0.977 82 T HN 0.117 nan 8.240 nan 0.000 0.458 83 K N 1.101 121.410 120.400 -0.152 0.000 2.107 83 K HA -0.260 4.060 4.320 0.001 0.000 0.211 83 K C 2.059 178.632 176.600 -0.045 0.000 1.049 83 K CA 2.152 58.405 56.287 -0.057 0.000 0.927 83 K CB -0.166 32.315 32.500 -0.032 0.000 0.714 83 K HN 0.897 nan 8.250 nan 0.000 0.452 84 E N 0.928 121.064 120.200 -0.107 0.000 2.023 84 E HA -0.250 4.100 4.350 0.001 0.000 0.196 84 E C 1.840 178.481 176.600 0.069 0.000 1.003 84 E CA 1.565 57.943 56.400 -0.038 0.000 0.809 84 E CB -0.170 29.492 29.700 -0.064 0.000 0.755 84 E HN 0.503 nan 8.360 nan 0.000 0.449 85 H N -0.391 118.642 119.070 -0.061 0.000 2.325 85 H HA -0.190 4.367 4.556 0.001 0.000 0.293 85 H C 2.340 177.806 175.328 0.229 0.000 1.106 85 H CA 1.443 57.506 56.048 0.026 0.000 1.247 85 H CB -0.143 29.615 29.762 -0.006 0.000 1.359 85 H HN 0.105 nan 8.280 nan 0.000 0.488 86 V N 1.115 121.219 119.914 0.316 0.000 2.324 86 V HA -0.243 3.877 4.120 0.001 0.000 0.250 86 V C 2.331 178.578 176.094 0.256 0.000 1.060 86 V CA 1.864 64.338 62.300 0.290 0.000 1.042 86 V CB -0.310 31.604 31.823 0.153 0.000 0.650 86 V HN 0.427 nan 8.190 nan 0.000 0.450 87 E N -0.162 120.134 120.200 0.160 0.000 2.152 87 E HA -0.065 4.285 4.350 0.001 0.000 0.192 87 E C 2.317 178.982 176.600 0.109 0.000 0.983 87 E CA 1.273 57.742 56.400 0.116 0.000 0.818 87 E CB -0.372 29.369 29.700 0.068 0.000 0.758 87 E HN 0.571 nan 8.360 nan 0.000 0.467 88 A N -0.295 122.580 122.820 0.092 0.000 1.898 88 A HA -0.149 4.172 4.320 0.001 0.000 0.216 88 A C 2.078 179.681 177.584 0.031 0.000 1.181 88 A CA 1.074 53.110 52.037 -0.002 0.000 0.620 88 A CB -0.955 17.983 19.000 -0.103 0.000 0.819 88 A HN 0.299 nan 8.150 nan 0.000 0.442 89 W N -0.000 121.348 121.300 0.080 0.000 2.408 89 W HA -0.049 4.611 4.660 0.001 0.000 0.311 89 W C 2.325 178.883 176.519 0.065 0.000 1.190 89 W CA 1.335 58.754 57.345 0.123 0.000 1.321 89 W CB -0.106 29.493 29.460 0.233 0.000 1.143 89 W HN 0.197 nan 8.180 nan 0.000 0.501 90 K N -0.314 120.273 120.400 0.312 0.000 2.044 90 K HA -0.275 4.046 4.320 0.001 0.000 0.224 90 K C -0.472 176.184 176.600 0.095 0.000 1.056 90 K CA 2.570 58.950 56.287 0.156 0.000 0.962 90 K CB -1.896 30.676 32.500 0.121 0.000 0.730 90 K HN 0.101 nan 8.250 nan 0.000 0.453 91 P HA -0.150 nan 4.420 nan 0.000 0.221 91 P C 1.313 178.637 177.300 0.040 0.000 1.145 91 P CA 1.395 64.525 63.100 0.049 0.000 0.795 91 P CB -0.107 31.616 31.700 0.039 0.000 0.775 92 I N -0.807 119.816 120.570 0.089 0.000 2.252 92 I HA -0.171 3.999 4.170 0.001 0.000 0.245 92 I C 2.457 178.568 176.117 -0.009 0.000 1.102 92 I CA 1.079 62.444 61.300 0.109 0.000 1.385 92 I CB -0.545 37.620 38.000 0.275 0.000 1.064 92 I HN -0.198 nan 8.210 nan 0.000 0.414 93 V N 0.807 120.705 119.914 -0.028 0.000 2.358 93 V HA -0.271 3.849 4.120 0.001 0.000 0.246 93 V C 2.009 177.919 176.094 -0.306 0.000 1.047 93 V CA 1.903 64.041 62.300 -0.270 0.000 1.035 93 V CB -0.712 30.859 31.823 -0.420 0.000 0.658 93 V HN 0.430 nan 8.190 nan 0.000 0.452 94 D N 0.888 121.228 120.400 -0.101 0.000 2.117 94 D HA -0.135 4.505 4.640 0.001 0.000 0.197 94 D C 2.217 178.495 176.300 -0.036 0.000 0.987 94 D CA 1.619 55.611 54.000 -0.013 0.000 0.829 94 D CB -0.253 40.561 40.800 0.024 0.000 0.961 94 D HN 0.474 nan 8.370 nan 0.000 0.460 95 A N 0.868 123.647 122.820 -0.069 0.000 2.019 95 A HA -0.085 4.236 4.320 0.001 0.000 0.219 95 A C 2.519 180.029 177.584 -0.124 0.000 1.164 95 A CA 0.853 52.851 52.037 -0.066 0.000 0.644 95 A CB -0.496 18.477 19.000 -0.046 0.000 0.805 95 A HN 0.141 nan 8.150 nan 0.000 0.449 96 V N -0.781 118.969 119.914 -0.273 0.000 2.407 96 V HA -0.146 3.974 4.120 0.001 0.000 0.245 96 V C 2.366 178.368 176.094 -0.154 0.000 1.041 96 V CA 1.796 63.870 62.300 -0.376 0.000 1.040 96 V CB -0.881 30.398 31.823 -0.908 0.000 0.671 96 V HN 0.632 nan 8.190 nan 0.000 0.455 97 H N 0.416 119.434 119.070 -0.086 0.000 2.428 97 H HA 0.102 4.658 4.556 0.001 0.000 0.296 97 H C 2.297 177.619 175.328 -0.010 0.000 1.062 97 H CA 1.262 57.298 56.048 -0.020 0.000 1.350 97 H CB -0.484 29.277 29.762 -0.000 0.000 1.403 97 H HN 0.431 nan 8.280 nan 0.000 0.533 98 A N 0.794 123.674 122.820 0.099 0.000 2.121 98 A HA -0.093 4.228 4.320 0.001 0.000 0.218 98 A C 1.933 179.541 177.584 0.040 0.000 1.154 98 A CA 1.000 53.072 52.037 0.058 0.000 0.679 98 A CB -0.133 18.887 19.000 0.033 0.000 0.795 98 A HN 0.263 nan 8.150 nan 0.000 0.458 99 K N -1.604 118.816 120.400 0.033 0.000 2.372 99 K HA 0.278 4.598 4.320 0.001 0.000 0.200 99 K C 0.950 177.581 176.600 0.052 0.000 1.022 99 K CA 0.418 56.722 56.287 0.029 0.000 1.125 99 K CB 0.252 32.758 32.500 0.010 0.000 0.855 99 K HN 0.551 nan 8.250 nan 0.000 0.524 100 G N 1.120 109.967 108.800 0.078 0.000 2.176 100 G HA2 -0.242 3.719 3.960 0.001 0.000 0.253 100 G HA3 -0.242 3.719 3.960 0.001 0.000 0.253 100 G C 0.406 175.380 174.900 0.123 0.000 0.979 100 G CA -0.138 45.018 45.100 0.094 0.000 0.641 100 G HN 0.471 nan 8.290 nan 0.000 0.530 101 G N -0.480 108.395 108.800 0.124 0.000 2.527 101 G HA2 0.546 4.507 3.960 0.001 0.000 0.248 101 G HA3 0.546 4.507 3.960 0.001 0.000 0.248 101 G C -0.248 174.812 174.900 0.266 0.000 1.231 101 G CA -0.411 44.774 45.100 0.142 0.000 0.838 101 G HN 0.489 nan 8.290 nan 0.000 0.570 102 I N 0.941 121.680 120.570 0.282 0.000 2.312 102 I HA 0.285 4.456 4.170 0.001 0.000 0.290 102 I C -0.789 175.645 176.117 0.527 0.000 1.008 102 I CA -0.501 61.005 61.300 0.343 0.000 1.226 102 I CB 1.296 39.351 38.000 0.092 0.000 1.371 102 I HN 0.261 nan 8.210 nan 0.000 0.468 103 F N 7.866 128.012 119.950 0.327 0.000 2.382 103 F HA 0.555 5.082 4.527 0.001 0.000 0.361 103 F C -1.145 174.919 175.800 0.439 0.000 1.109 103 F CA -1.253 56.875 58.000 0.213 0.000 1.031 103 F CB 0.538 39.450 39.000 -0.146 0.000 1.234 103 F HN 0.113 nan 8.300 nan 0.000 0.445 104 F N 4.311 124.306 119.950 0.074 0.000 2.422 104 F HA 0.437 4.965 4.527 0.001 0.000 0.333 104 F C 0.078 175.643 175.800 -0.393 0.000 1.095 104 F CA -1.357 56.624 58.000 -0.031 0.000 1.038 104 F CB 1.181 40.285 39.000 0.173 0.000 1.156 104 F HN 0.559 nan 8.300 nan 0.000 0.483 105 C N 2.839 121.810 119.300 -0.548 0.000 2.255 105 C HA 0.552 5.012 4.460 0.001 0.000 0.326 105 C C 0.006 174.705 174.990 -0.485 0.000 1.258 105 C CA -1.122 57.370 59.018 -0.876 0.000 1.676 105 C CB 0.024 26.649 27.740 -1.859 0.000 2.314 105 C HN 0.866 nan 8.230 nan 0.000 0.509 106 Q N 3.125 122.731 119.800 -0.322 0.000 2.364 106 Q HA 0.496 4.837 4.340 0.001 0.000 0.267 106 Q C -0.367 175.501 176.000 -0.219 0.000 0.999 106 Q CA 0.034 55.711 55.803 -0.210 0.000 0.886 106 Q CB 0.614 29.208 28.738 -0.240 0.000 1.243 106 Q HN 0.919 nan 8.270 nan 0.000 0.415 107 I N 1.928 122.461 120.570 -0.062 0.000 2.436 107 I HA 0.621 4.792 4.170 0.001 0.000 0.289 107 I C -0.860 175.445 176.117 0.314 0.000 1.010 107 I CA -0.914 60.407 61.300 0.035 0.000 1.098 107 I CB 0.959 38.963 38.000 0.006 0.000 1.266 107 I HN 0.679 nan 8.210 nan 0.000 0.434 108 W N 5.253 126.587 121.300 0.055 0.000 3.505 108 W HA 0.702 5.362 4.660 0.001 0.000 0.338 108 W C -1.804 174.726 176.519 0.019 0.000 1.159 108 W CA -1.331 56.099 57.345 0.142 0.000 0.981 108 W CB 0.209 29.653 29.460 -0.026 0.000 1.575 108 W HN 0.788 nan 8.180 nan 0.000 0.608 109 H N 1.224 120.309 119.070 0.025 0.000 3.174 109 H HA 0.153 4.710 4.556 0.001 0.000 0.307 109 H C 0.541 175.721 175.328 -0.247 0.000 1.116 109 H CA 0.178 56.071 56.048 -0.258 0.000 1.489 109 H CB 1.741 31.516 29.762 0.021 0.000 2.104 109 H HN 0.445 nan 8.280 nan 0.000 0.414 110 V N 2.993 122.607 119.914 -0.500 0.000 2.720 110 V HA 0.152 4.273 4.120 0.001 0.000 0.256 110 V C 1.462 177.648 176.094 0.154 0.000 1.082 110 V CA 1.808 64.008 62.300 -0.168 0.000 1.101 110 V CB -1.080 30.541 31.823 -0.337 0.000 0.693 110 V HN 1.091 nan 8.190 nan 0.000 0.479 111 G N 2.033 111.001 108.800 0.280 0.000 2.550 111 G HA2 -0.426 3.534 3.960 0.001 0.000 0.277 111 G HA3 -0.426 3.534 3.960 0.001 0.000 0.277 111 G C 0.796 175.748 174.900 0.085 0.000 1.190 111 G CA 1.081 46.312 45.100 0.217 0.000 0.971 111 G HN 1.094 nan 8.290 nan 0.000 0.559 112 R N -0.084 120.432 120.500 0.027 0.000 2.357 112 R HA 0.252 4.592 4.340 0.001 0.000 0.202 112 R C 0.753 177.031 176.300 -0.036 0.000 1.047 112 R CA 1.198 57.286 56.100 -0.020 0.000 1.034 112 R CB -0.202 30.054 30.300 -0.072 0.000 0.875 112 R HN 0.465 nan 8.270 nan 0.000 0.473 113 V N 1.387 121.284 119.914 -0.028 0.000 2.096 113 V HA 0.210 4.330 4.120 0.001 0.000 0.259 113 V C -0.062 176.011 176.094 -0.035 0.000 1.420 113 V CA -0.074 62.201 62.300 -0.042 0.000 1.336 113 V CB -0.075 31.746 31.823 -0.003 0.000 1.394 113 V HN 0.433 nan 8.190 nan 0.000 0.494 114 S N 2.402 118.149 115.700 0.078 0.000 2.755 114 S HA 0.574 5.044 4.470 0.001 0.000 0.286 114 S C -1.721 173.017 174.600 0.229 0.000 1.207 114 S CA -0.594 57.557 58.200 -0.082 0.000 0.892 114 S CB 1.876 65.002 63.200 -0.123 0.000 1.240 114 S HN 0.686 nan 8.310 nan 0.000 0.525 115 N N -0.414 118.619 118.700 0.555 0.000 2.708 115 N HA 0.234 4.974 4.740 0.001 0.000 0.257 115 N C 0.770 176.383 175.510 0.172 0.000 1.373 115 N CA 0.260 53.508 53.050 0.331 0.000 0.843 115 N CB 1.210 39.794 38.487 0.161 0.000 1.503 115 N HN 0.669 nan 8.380 nan 0.000 0.504 116 S N 0.359 116.066 115.700 0.012 0.000 2.374 116 S HA -0.104 4.366 4.470 0.001 0.000 0.227 116 S C 1.948 176.489 174.600 -0.097 0.000 1.037 116 S CA 1.721 59.905 58.200 -0.027 0.000 1.024 116 S CB -1.210 61.964 63.200 -0.043 0.000 0.861 116 S HN 0.785 nan 8.310 nan 0.000 0.456 117 G N 0.161 108.807 108.800 -0.258 0.000 2.479 117 G HA2 -0.031 3.929 3.960 0.001 0.000 0.220 117 G HA3 -0.031 3.929 3.960 0.001 0.000 0.220 117 G C 0.979 175.658 174.900 -0.368 0.000 1.115 117 G CA 0.801 45.681 45.100 -0.366 0.000 0.757 117 G HN 0.580 nan 8.290 nan 0.000 0.560 118 F N 0.437 120.363 119.950 -0.040 0.000 2.219 118 F HA 0.194 4.721 4.527 0.001 0.000 0.294 118 F C 1.506 177.290 175.800 -0.026 0.000 1.086 118 F CA 0.148 58.130 58.000 -0.031 0.000 1.330 118 F CB -0.388 38.575 39.000 -0.061 0.000 1.047 118 F HN -0.021 nan 8.300 nan 0.000 0.495 119 Q N 2.076 121.956 119.800 0.134 0.000 2.332 119 Q HA 0.200 4.540 4.340 0.001 0.000 0.263 119 Q C -2.271 173.749 176.000 0.033 0.000 0.979 119 Q CA -2.065 53.775 55.803 0.060 0.000 0.885 119 Q CB -0.039 28.724 28.738 0.041 0.000 1.218 119 Q HN 0.019 nan 8.270 nan 0.000 0.405 120 P HA -0.046 nan 4.420 nan 0.000 0.268 120 P C -0.054 177.255 177.300 0.016 0.000 1.208 120 P CA 0.092 63.210 63.100 0.030 0.000 0.777 120 P CB 0.436 32.156 31.700 0.033 0.000 0.875 121 N N 1.134 119.842 118.700 0.014 0.000 2.678 121 N HA -0.231 4.509 4.740 0.001 0.000 0.250 121 N C 0.933 176.441 175.510 -0.003 0.000 1.136 121 N CA 1.716 54.769 53.050 0.006 0.000 0.757 121 N CB -1.768 36.724 38.487 0.007 0.000 1.135 121 N HN 0.895 nan 8.380 nan 0.000 0.565 122 G N -0.315 108.481 108.800 -0.007 0.000 2.187 122 G HA2 -0.394 3.566 3.960 0.001 0.000 0.261 122 G HA3 -0.394 3.566 3.960 0.001 0.000 0.261 122 G C 0.275 175.170 174.900 -0.009 0.000 1.000 122 G CA 1.112 46.202 45.100 -0.017 0.000 0.718 122 G HN 0.584 nan 8.290 nan 0.000 0.519 123 K N 0.042 120.442 120.400 -0.000 0.000 2.286 123 K HA 0.483 4.803 4.320 0.001 0.000 0.256 123 K C 1.088 177.693 176.600 0.008 0.000 0.999 123 K CA 0.191 56.479 56.287 0.002 0.000 0.908 123 K CB 0.362 32.865 32.500 0.004 0.000 0.981 123 K HN 0.530 nan 8.250 nan 0.000 0.500 124 A N 2.600 125.424 122.820 0.007 0.000 2.371 124 A HA 0.307 4.628 4.320 0.001 0.000 0.257 124 A C -2.234 175.363 177.584 0.023 0.000 1.089 124 A CA -1.355 50.690 52.037 0.014 0.000 0.794 124 A CB -0.080 18.923 19.000 0.005 0.000 1.029 124 A HN 0.376 nan 8.150 nan 0.000 0.488 125 P HA 0.241 nan 4.420 nan 0.000 0.270 125 P C -0.490 176.826 177.300 0.027 0.000 1.223 125 P CA 0.201 63.327 63.100 0.043 0.000 0.785 125 P CB 0.367 32.102 31.700 0.058 0.000 0.923 126 I N -1.898 118.698 120.570 0.043 0.000 2.648 126 I HA 0.825 4.995 4.170 0.001 0.000 0.304 126 I C -0.039 176.076 176.117 -0.003 0.000 1.009 126 I CA -0.598 60.711 61.300 0.014 0.000 1.114 126 I CB 2.219 40.233 38.000 0.023 0.000 1.293 126 I HN 0.216 nan 8.210 nan 0.000 0.449 127 S N 1.476 117.134 115.700 -0.070 0.000 2.727 127 S HA 0.311 4.781 4.470 0.001 0.000 0.278 127 S C 0.555 174.973 174.600 -0.303 0.000 1.186 127 S CA -0.178 57.941 58.200 -0.135 0.000 0.836 127 S CB 1.014 64.135 63.200 -0.133 0.000 1.186 127 S HN 1.009 nan 8.310 nan 0.000 0.499 128 C N 1.490 120.439 119.300 -0.586 0.000 2.481 128 C HA 0.510 4.971 4.460 0.001 0.000 0.275 128 C C 1.132 175.815 174.990 -0.511 0.000 1.419 128 C CA 0.524 58.938 59.018 -1.008 0.000 1.773 128 C CB -2.044 24.697 27.740 -1.664 0.000 1.862 128 C HN 0.822 nan 8.230 nan 0.000 0.530 129 S N 0.529 116.027 115.700 -0.336 0.000 2.720 129 S HA 0.517 4.988 4.470 0.001 0.000 0.287 129 S C -0.482 174.029 174.600 -0.148 0.000 1.168 129 S CA 0.225 58.296 58.200 -0.214 0.000 0.832 129 S CB 1.277 64.362 63.200 -0.191 0.000 1.166 129 S HN 0.505 nan 8.310 nan 0.000 0.493 130 D N -0.511 119.823 120.400 -0.110 0.000 2.525 130 D HA 0.148 4.788 4.640 0.001 0.000 0.229 130 D C -0.465 175.791 176.300 -0.073 0.000 1.202 130 D CA -0.382 53.570 54.000 -0.080 0.000 0.828 130 D CB -0.212 40.551 40.800 -0.062 0.000 1.008 130 D HN 0.422 nan 8.370 nan 0.000 0.493 131 K N 2.771 123.118 120.400 -0.089 0.000 2.349 131 K HA 0.205 4.526 4.320 0.001 0.000 0.289 131 K C -2.205 174.347 176.600 -0.080 0.000 1.064 131 K CA -1.408 54.830 56.287 -0.082 0.000 0.947 131 K CB 0.951 33.395 32.500 -0.094 0.000 1.007 131 K HN 0.182 nan 8.250 nan 0.000 0.478 132 P HA -0.029 nan 4.420 nan 0.000 0.269 132 P C -0.909 176.338 177.300 -0.088 0.000 1.209 132 P CA -0.460 62.607 63.100 -0.054 0.000 0.776 132 P CB 0.676 32.357 31.700 -0.030 0.000 0.876 133 L N 4.702 125.856 121.223 -0.116 0.000 2.296 133 L HA 0.381 4.721 4.340 0.001 0.000 0.286 133 L C 0.487 177.244 176.870 -0.188 0.000 1.023 133 L CA -0.421 54.280 54.840 -0.232 0.000 0.812 133 L CB 0.289 42.084 42.059 -0.440 0.000 1.223 133 L HN 0.437 nan 8.230 nan 0.000 0.421 134 M N 6.258 125.760 119.600 -0.164 0.000 2.516 134 M HA -0.156 4.324 4.480 0.001 0.000 0.183 134 M C -1.600 174.711 176.300 0.018 0.000 0.928 134 M CA 0.283 55.543 55.300 -0.066 0.000 0.573 134 M CB -0.961 31.612 32.600 -0.045 0.000 1.126 134 M HN 0.531 nan 8.290 nan 0.000 0.859 135 P HA -0.233 nan 4.420 nan 0.000 0.219 135 P C 1.421 178.733 177.300 0.020 0.000 1.146 135 P CA 1.577 64.685 63.100 0.013 0.000 0.808 135 P CB -0.184 31.512 31.700 -0.007 0.000 0.779 136 Q N 0.408 120.218 119.800 0.017 0.000 2.291 136 Q HA -0.077 4.263 4.340 0.001 0.000 0.205 136 Q C 1.066 177.084 176.000 0.030 0.000 0.970 136 Q CA 0.833 56.647 55.803 0.018 0.000 0.876 136 Q CB -1.015 27.731 28.738 0.014 0.000 0.935 136 Q HN 0.346 nan 8.270 nan 0.000 0.455 137 I N 2.843 123.444 120.570 0.051 0.000 2.278 137 I HA 0.187 4.357 4.170 0.001 0.000 0.296 137 I C 0.251 176.392 176.117 0.040 0.000 1.121 137 I CA -0.147 61.187 61.300 0.057 0.000 1.267 137 I CB 0.215 38.277 38.000 0.103 0.000 1.447 137 I HN -0.018 nan 8.210 nan 0.000 0.509 138 R N 3.342 123.853 120.500 0.018 0.000 2.643 138 R HA 0.500 4.840 4.340 0.001 0.000 0.272 138 R C 0.504 176.799 176.300 -0.009 0.000 0.995 138 R CA -0.552 55.551 56.100 0.005 0.000 1.032 138 R CB 1.827 32.129 30.300 0.003 0.000 1.126 138 R HN 0.480 nan 8.270 nan 0.000 0.505 139 S N 1.386 117.075 115.700 -0.019 0.000 2.184 139 S HA -0.020 4.450 4.470 0.001 0.000 0.202 139 S C 0.294 174.882 174.600 -0.020 0.000 1.373 139 S CA -0.089 58.094 58.200 -0.028 0.000 1.117 139 S CB 0.006 63.183 63.200 -0.038 0.000 0.715 139 S HN 0.767 nan 8.310 nan 0.000 0.427 140 N N 0.458 119.145 118.700 -0.022 0.000 2.511 140 N HA 0.364 5.104 4.740 0.001 0.000 0.249 140 N C 0.304 175.805 175.510 -0.015 0.000 0.971 140 N CA 0.127 53.168 53.050 -0.016 0.000 0.938 140 N CB 0.602 39.078 38.487 -0.018 0.000 1.131 140 N HN 0.866 nan 8.380 nan 0.000 0.505 141 G N 1.917 110.710 108.800 -0.011 0.000 2.187 141 G HA2 -0.273 3.688 3.960 0.001 0.000 0.261 141 G HA3 -0.273 3.688 3.960 0.001 0.000 0.261 141 G C -0.027 174.866 174.900 -0.011 0.000 1.000 141 G CA 0.960 46.053 45.100 -0.010 0.000 0.718 141 G HN 0.647 nan 8.290 nan 0.000 0.519 142 I N -1.203 119.360 120.570 -0.013 0.000 3.941 142 I HA 0.556 4.726 4.170 0.001 0.000 0.253 142 I C 1.066 177.176 176.117 -0.011 0.000 1.212 142 I CA -0.303 60.989 61.300 -0.014 0.000 1.245 142 I CB 0.987 38.976 38.000 -0.019 0.000 1.413 142 I HN 0.042 nan 8.210 nan 0.000 0.491 143 D N -0.891 119.503 120.400 -0.011 0.000 2.449 143 D HA 0.011 4.651 4.640 0.001 0.000 0.255 143 D C 0.398 176.693 176.300 -0.007 0.000 1.121 143 D CA -0.064 53.931 54.000 -0.008 0.000 0.830 143 D CB -0.251 40.544 40.800 -0.008 0.000 1.280 143 D HN 0.215 nan 8.370 nan 0.000 0.522 144 E N 1.857 122.049 120.200 -0.012 0.000 2.271 144 E HA 0.398 4.748 4.350 0.001 0.000 0.255 144 E C 0.052 176.645 176.600 -0.011 0.000 1.177 144 E CA -0.078 56.313 56.400 -0.014 0.000 0.946 144 E CB 0.159 29.844 29.700 -0.024 0.000 1.009 144 E HN 0.329 nan 8.360 nan 0.000 0.451 145 A N 4.008 126.831 122.820 0.005 0.000 2.521 145 A HA -0.038 4.282 4.320 0.001 0.000 0.237 145 A C 1.157 178.742 177.584 0.001 0.000 1.087 145 A CA 0.092 52.143 52.037 0.024 0.000 0.777 145 A CB 0.096 19.131 19.000 0.059 0.000 1.035 145 A HN 0.821 nan 8.150 nan 0.000 0.510 146 L N 0.371 121.591 121.223 -0.006 0.000 2.017 146 L HA 0.089 4.429 4.340 0.001 0.000 0.208 146 L C 0.475 177.206 176.870 -0.231 0.000 1.073 146 L CA 1.602 56.350 54.840 -0.154 0.000 0.745 146 L CB -0.637 41.282 42.059 -0.234 0.000 0.894 146 L HN 0.502 nan 8.230 nan 0.000 0.432 147 F N 1.220 121.162 119.950 -0.012 0.000 2.350 147 F HA 0.298 4.825 4.527 0.001 0.000 0.365 147 F C 0.819 176.610 175.800 -0.014 0.000 1.122 147 F CA -0.786 57.207 58.000 -0.012 0.000 1.139 147 F CB -0.050 38.920 39.000 -0.050 0.000 1.220 147 F HN -0.233 nan 8.300 nan 0.000 0.499 148 T N 5.497 120.125 114.554 0.124 0.000 2.822 148 T HA 0.010 4.360 4.350 0.001 0.000 0.288 148 T C -2.255 172.487 174.700 0.071 0.000 0.991 148 T CA -0.754 61.387 62.100 0.068 0.000 1.176 148 T CB -0.160 68.735 68.868 0.045 0.000 0.951 148 T HN 0.212 nan 8.240 nan 0.000 0.526 149 P HA 0.054 nan 4.420 nan 0.000 0.261 149 P C -2.124 175.179 177.300 0.006 0.000 1.173 149 P CA -0.893 62.218 63.100 0.018 0.000 0.760 149 P CB -0.158 31.544 31.700 0.003 0.000 0.783 150 P HA 0.137 nan 4.420 nan 0.000 0.275 150 P C -0.511 176.767 177.300 -0.037 0.000 1.227 150 P CA -0.194 62.892 63.100 -0.024 0.000 0.781 150 P CB 0.836 32.508 31.700 -0.047 0.000 0.906 151 R N 2.979 123.459 120.500 -0.033 0.000 2.234 151 R HA 0.190 4.530 4.340 0.001 0.000 0.324 151 R C 0.533 176.796 176.300 -0.063 0.000 1.054 151 R CA -0.684 55.392 56.100 -0.039 0.000 0.912 151 R CB 0.385 30.670 30.300 -0.026 0.000 1.030 151 R HN 0.439 nan 8.270 nan 0.000 0.455 152 R N 5.501 125.956 120.500 -0.074 0.000 2.446 152 R HA 0.006 4.346 4.340 0.001 0.000 0.325 152 R C -0.271 175.974 176.300 -0.091 0.000 0.997 152 R CA -0.109 55.929 56.100 -0.103 0.000 1.010 152 R CB 0.177 30.421 30.300 -0.093 0.000 0.946 152 R HN 0.658 nan 8.270 nan 0.000 0.422 153 L N 4.316 125.469 121.223 -0.117 0.000 2.667 153 L HA -0.072 4.269 4.340 0.001 0.000 0.278 153 L C 1.056 177.887 176.870 -0.065 0.000 1.217 153 L CA 0.432 55.217 54.840 -0.091 0.000 0.935 153 L CB 0.244 42.236 42.059 -0.111 0.000 1.193 153 L HN 0.818 nan 8.230 nan 0.000 0.493 154 G N 4.490 113.266 108.800 -0.040 0.000 2.313 154 G HA2 0.019 3.979 3.960 0.001 0.000 0.250 154 G HA3 0.019 3.979 3.960 0.001 0.000 0.250 154 G C 0.936 175.830 174.900 -0.011 0.000 1.281 154 G CA -0.437 44.652 45.100 -0.018 0.000 0.917 154 G HN 0.890 nan 8.290 nan 0.000 0.501 155 I N 1.109 121.691 120.570 0.019 0.000 2.953 155 I HA -0.158 4.013 4.170 0.001 0.000 0.271 155 I C 1.794 177.955 176.117 0.072 0.000 1.286 155 I CA 1.055 62.395 61.300 0.068 0.000 1.449 155 I CB 0.240 38.323 38.000 0.138 0.000 1.086 155 I HN 0.583 nan 8.210 nan 0.000 0.483 156 E N 0.428 120.652 120.200 0.041 0.000 2.385 156 E HA -0.098 4.252 4.350 0.001 0.000 0.194 156 E C 1.453 178.068 176.600 0.025 0.000 1.013 156 E CA 0.539 56.964 56.400 0.042 0.000 0.866 156 E CB 0.060 29.779 29.700 0.031 0.000 0.832 156 E HN 0.583 nan 8.360 nan 0.000 0.500 157 E N 0.088 120.288 120.200 0.001 0.000 2.472 157 E HA 0.119 4.469 4.350 0.001 0.000 0.196 157 E C 1.451 178.032 176.600 -0.031 0.000 1.033 157 E CA 0.019 56.413 56.400 -0.010 0.000 0.886 157 E CB 0.210 29.899 29.700 -0.018 0.000 0.944 157 E HN 0.263 nan 8.360 nan 0.000 0.492 158 I N 1.530 122.056 120.570 -0.073 0.000 2.233 158 I HA -0.114 4.056 4.170 0.001 0.000 0.243 158 I C -0.695 175.398 176.117 -0.040 0.000 1.093 158 I CA 0.761 61.956 61.300 -0.175 0.000 1.380 158 I CB -1.004 36.656 38.000 -0.566 0.000 1.067 158 I HN 0.005 nan 8.210 nan 0.000 0.413 159 P HA -0.115 nan 4.420 nan 0.000 0.218 159 P C 1.585 178.926 177.300 0.069 0.000 1.149 159 P CA 1.494 64.652 63.100 0.096 0.000 0.817 159 P CB -0.159 31.609 31.700 0.113 0.000 0.785 160 G N -0.314 108.516 108.800 0.050 0.000 2.402 160 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 160 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 160 G C 1.491 176.427 174.900 0.061 0.000 1.162 160 G CA 0.353 45.480 45.100 0.046 0.000 0.777 160 G HN 0.227 nan 8.290 nan 0.000 0.539 161 I N 0.630 121.242 120.570 0.069 0.000 2.286 161 I HA -0.146 4.025 4.170 0.001 0.000 0.248 161 I C 2.649 178.898 176.117 0.220 0.000 1.115 161 I CA 0.460 61.834 61.300 0.124 0.000 1.392 161 I CB -0.196 37.874 38.000 0.117 0.000 1.065 161 I HN 0.004 nan 8.210 nan 0.000 0.418 162 V N 1.189 121.188 119.914 0.141 0.000 2.594 162 V HA -0.263 3.857 4.120 0.001 0.000 0.253 162 V C 2.200 178.353 176.094 0.098 0.000 1.069 162 V CA 1.892 64.216 62.300 0.041 0.000 1.082 162 V CB -0.924 30.893 31.823 -0.011 0.000 0.680 162 V HN 0.567 nan 8.190 nan 0.000 0.469 163 N N -0.130 118.627 118.700 0.095 0.000 2.416 163 N HA -0.145 4.596 4.740 0.001 0.000 0.177 163 N C 1.358 176.917 175.510 0.080 0.000 1.036 163 N CA 0.923 54.018 53.050 0.075 0.000 0.901 163 N CB 0.081 38.601 38.487 0.054 0.000 0.976 163 N HN 0.430 nan 8.380 nan 0.000 0.444 164 D N 0.193 120.649 120.400 0.093 0.000 2.144 164 D HA -0.111 4.530 4.640 0.001 0.000 0.199 164 D C 1.516 177.798 176.300 -0.030 0.000 0.984 164 D CA 0.882 54.891 54.000 0.014 0.000 0.834 164 D CB -0.327 40.455 40.800 -0.030 0.000 0.955 164 D HN 0.288 nan 8.370 nan 0.000 0.465 165 F N 0.880 120.813 119.950 -0.028 0.000 2.163 165 F HA -0.001 4.526 4.527 0.001 0.000 0.297 165 F C 2.564 178.339 175.800 -0.042 0.000 1.094 165 F CA 0.640 58.616 58.000 -0.040 0.000 1.290 165 F CB -0.267 38.675 39.000 -0.097 0.000 1.017 165 F HN -0.176 nan 8.300 nan 0.000 0.483 166 R N 0.394 120.980 120.500 0.143 0.000 2.096 166 R HA -0.182 4.158 4.340 0.001 0.000 0.235 166 R C 2.177 178.498 176.300 0.035 0.000 1.127 166 R CA 1.265 57.405 56.100 0.068 0.000 0.968 166 R CB -0.565 29.765 30.300 0.050 0.000 0.861 166 R HN 0.313 nan 8.270 nan 0.000 0.440 167 L N 0.534 121.776 121.223 0.031 0.000 1.961 167 L HA -0.112 4.228 4.340 0.001 0.000 0.210 167 L C 2.382 179.251 176.870 -0.002 0.000 1.072 167 L CA 2.246 57.096 54.840 0.017 0.000 0.749 167 L CB -0.696 41.378 42.059 0.024 0.000 0.889 167 L HN 0.264 nan 8.230 nan 0.000 0.432 168 A N -0.500 122.308 122.820 -0.021 0.000 1.958 168 A HA -0.281 4.040 4.320 0.001 0.000 0.221 168 A C 2.410 179.938 177.584 -0.094 0.000 1.178 168 A CA 2.252 54.256 52.037 -0.054 0.000 0.642 168 A CB -1.294 17.646 19.000 -0.099 0.000 0.816 168 A HN 0.655 nan 8.150 nan 0.000 0.453 169 A N -0.298 122.483 122.820 -0.065 0.000 1.877 169 A HA -0.142 4.179 4.320 0.001 0.000 0.216 169 A C 2.174 179.710 177.584 -0.079 0.000 1.186 169 A CA 2.135 54.120 52.037 -0.087 0.000 0.620 169 A CB -0.470 18.507 19.000 -0.038 0.000 0.822 169 A HN 0.508 nan 8.150 nan 0.000 0.443 170 R N 0.508 120.986 120.500 -0.037 0.000 2.091 170 R HA -0.136 4.205 4.340 0.001 0.000 0.238 170 R C 1.590 177.875 176.300 -0.024 0.000 1.136 170 R CA 2.154 58.242 56.100 -0.021 0.000 0.959 170 R CB -0.700 29.599 30.300 -0.001 0.000 0.856 170 R HN 0.538 nan 8.270 nan 0.000 0.437 171 N N 0.097 118.778 118.700 -0.031 0.000 2.289 171 N HA -0.070 4.670 4.740 0.001 0.000 0.184 171 N C 1.329 176.806 175.510 -0.055 0.000 1.016 171 N CA 1.414 54.450 53.050 -0.024 0.000 0.872 171 N CB -0.329 38.152 38.487 -0.010 0.000 0.973 171 N HN 0.398 nan 8.380 nan 0.000 0.433 172 A N 0.465 123.202 122.820 -0.138 0.000 1.898 172 A HA -0.050 4.270 4.320 0.001 0.000 0.216 172 A C 1.891 179.470 177.584 -0.009 0.000 1.181 172 A CA 1.054 52.966 52.037 -0.208 0.000 0.620 172 A CB -0.261 18.494 19.000 -0.410 0.000 0.819 172 A HN 0.102 nan 8.150 nan 0.000 0.442 173 M N -0.099 119.483 119.600 -0.029 0.000 2.549 173 M HA -0.034 4.447 4.480 0.001 0.000 0.260 173 M C 1.413 177.739 176.300 0.042 0.000 1.076 173 M CA 0.935 56.243 55.300 0.014 0.000 1.090 173 M CB -1.182 31.416 32.600 -0.003 0.000 1.418 173 M HN 0.546 nan 8.290 nan 0.000 0.486 174 E N 0.088 120.314 120.200 0.043 0.000 2.166 174 E HA 0.089 4.439 4.350 0.001 0.000 0.192 174 E C 1.893 178.543 176.600 0.084 0.000 0.967 174 E CA 0.714 57.147 56.400 0.054 0.000 0.840 174 E CB 0.046 29.772 29.700 0.043 0.000 0.795 174 E HN 0.443 nan 8.360 nan 0.000 0.470 175 A N 0.426 123.321 122.820 0.125 0.000 2.206 175 A HA 0.203 4.523 4.320 0.001 0.000 0.211 175 A C 1.737 179.388 177.584 0.111 0.000 1.158 175 A CA 0.986 53.124 52.037 0.167 0.000 0.761 175 A CB -0.380 18.794 19.000 0.291 0.000 0.801 175 A HN 0.349 nan 8.150 nan 0.000 0.473 176 G N -2.280 106.593 108.800 0.122 0.000 2.157 176 G HA2 -0.228 3.733 3.960 0.001 0.000 0.239 176 G HA3 -0.228 3.733 3.960 0.001 0.000 0.239 176 G C 0.036 175.015 174.900 0.132 0.000 0.982 176 G CA -0.032 45.130 45.100 0.104 0.000 0.650 176 G HN 0.290 nan 8.290 nan 0.000 0.527 177 F N 1.348 121.286 119.950 -0.020 0.000 2.539 177 F HA 0.273 4.801 4.527 0.001 0.000 0.340 177 F C 1.667 177.436 175.800 -0.052 0.000 1.185 177 F CA 0.553 58.498 58.000 -0.091 0.000 1.333 177 F CB 0.511 39.283 39.000 -0.380 0.000 1.152 177 F HN 0.004 nan 8.300 nan 0.000 0.602 178 D N 0.753 121.250 120.400 0.161 0.000 2.347 178 D HA 0.180 4.820 4.640 0.001 0.000 0.215 178 D C 0.942 177.073 176.300 -0.281 0.000 0.976 178 D CA 0.981 55.072 54.000 0.152 0.000 0.884 178 D CB 0.304 41.332 40.800 0.379 0.000 0.915 178 D HN 0.665 nan 8.370 nan 0.000 0.526 179 G N -0.180 108.035 108.800 -0.975 0.000 2.333 179 G HA2 0.316 4.276 3.960 0.001 0.000 0.288 179 G HA3 0.316 4.276 3.960 0.001 0.000 0.288 179 G C -1.608 172.409 174.900 -1.472 0.000 1.286 179 G CA -0.219 44.042 45.100 -1.398 0.000 0.865 179 G HN 0.183 nan 8.290 nan 0.000 0.506 180 V N -2.783 116.642 119.914 -0.815 0.000 3.007 180 V HA 0.896 5.017 4.120 0.001 0.000 0.311 180 V C -0.635 175.561 176.094 0.170 0.000 1.120 180 V CA -0.784 61.348 62.300 -0.280 0.000 0.980 180 V CB 1.924 33.600 31.823 -0.246 0.000 1.033 180 V HN 1.073 nan 8.190 nan 0.000 0.429 181 E N 2.821 123.117 120.200 0.159 0.000 2.113 181 E HA 0.538 4.888 4.350 0.001 0.000 0.273 181 E C -0.928 175.703 176.600 0.053 0.000 0.924 181 E CA -0.848 55.642 56.400 0.150 0.000 0.764 181 E CB 1.487 31.305 29.700 0.195 0.000 1.104 181 E HN 0.781 nan 8.360 nan 0.000 0.406 182 I N 4.547 125.138 120.570 0.036 0.000 2.436 182 I HA -0.020 4.150 4.170 0.001 0.000 0.289 182 I C 0.393 176.587 176.117 0.128 0.000 1.083 182 I CA -0.187 61.162 61.300 0.082 0.000 1.372 182 I CB 0.206 38.195 38.000 -0.019 0.000 1.408 182 I HN 0.496 nan 8.210 nan 0.000 0.516 183 H N 6.446 125.607 119.070 0.151 0.000 3.232 183 H HA 0.160 4.717 4.556 0.001 0.000 0.254 183 H C 0.860 176.297 175.328 0.181 0.000 1.213 183 H CA -0.582 55.573 56.048 0.178 0.000 1.503 183 H CB 0.623 30.546 29.762 0.267 0.000 1.563 183 H HN 0.733 nan 8.280 nan 0.000 0.490 184 G N 2.916 111.929 108.800 0.355 0.000 3.502 184 G HA2 0.451 4.411 3.960 0.001 0.000 0.267 184 G HA3 0.451 4.411 3.960 0.001 0.000 0.267 184 G C 0.355 175.406 174.900 0.252 0.000 1.090 184 G CA 0.422 45.649 45.100 0.212 0.000 0.795 184 G HN 0.712 nan 8.290 nan 0.000 0.535 185 A N -0.048 123.036 122.820 0.440 0.000 2.578 185 A HA 0.665 4.986 4.320 0.001 0.000 0.255 185 A C 0.190 177.894 177.584 0.199 0.000 1.251 185 A CA -0.685 51.531 52.037 0.298 0.000 0.882 185 A CB 0.441 19.601 19.000 0.267 0.000 1.416 185 A HN 0.142 nan 8.150 nan 0.000 0.462 186 N N -0.293 118.472 118.700 0.108 0.000 2.629 186 N HA -0.173 4.567 4.740 0.001 0.000 0.278 186 N C 0.950 176.236 175.510 -0.374 0.000 1.102 186 N CA 1.784 54.791 53.050 -0.072 0.000 0.759 186 N CB -1.375 37.071 38.487 -0.069 0.000 0.911 186 N HN 2.032 nan 8.380 nan 0.000 0.553 187 G N -1.046 107.666 108.800 -0.147 0.000 2.327 187 G HA2 -0.394 3.567 3.960 0.001 0.000 0.297 187 G HA3 -0.394 3.567 3.960 0.001 0.000 0.297 187 G C 0.396 175.184 174.900 -0.187 0.000 0.994 187 G CA 1.299 46.289 45.100 -0.183 0.000 0.735 187 G HN 0.606 nan 8.290 nan 0.000 0.518 188 Y N -1.629 118.714 120.300 0.073 0.000 2.230 188 Y HA 0.432 4.982 4.550 0.001 0.000 0.354 188 Y C 1.690 177.659 175.900 0.115 0.000 1.343 188 Y CA -0.766 57.370 58.100 0.061 0.000 1.693 188 Y CB -0.267 38.182 38.460 -0.019 0.000 1.553 188 Y HN -0.023 nan 8.280 nan 0.000 0.599 189 L N 0.606 122.057 121.223 0.380 0.000 2.081 189 L HA -0.207 4.134 4.340 0.001 0.000 0.212 189 L C 1.725 178.860 176.870 0.442 0.000 1.080 189 L CA 1.767 56.822 54.840 0.358 0.000 0.754 189 L CB -0.791 41.493 42.059 0.375 0.000 0.893 189 L HN 0.692 nan 8.230 nan 0.000 0.433 190 I N -1.149 119.664 120.570 0.404 0.000 2.406 190 I HA -0.192 3.978 4.170 0.001 0.000 0.249 190 I C 2.077 178.386 176.117 0.320 0.000 1.122 190 I CA 1.225 62.744 61.300 0.366 0.000 1.431 190 I CB -0.446 37.594 38.000 0.065 0.000 1.087 190 I HN 0.251 nan 8.210 nan 0.000 0.424 191 D N 0.894 121.436 120.400 0.237 0.000 2.144 191 D HA -0.203 4.438 4.640 0.001 0.000 0.199 191 D C 2.217 178.608 176.300 0.153 0.000 0.984 191 D CA 1.388 55.487 54.000 0.166 0.000 0.834 191 D CB 0.088 40.956 40.800 0.112 0.000 0.955 191 D HN 0.273 nan 8.370 nan 0.000 0.465 192 Q N -1.065 118.829 119.800 0.157 0.000 2.077 192 Q HA -0.170 4.170 4.340 0.001 0.000 0.206 192 Q C 2.033 178.067 176.000 0.057 0.000 0.989 192 Q CA 1.391 57.233 55.803 0.064 0.000 0.853 192 Q CB -0.253 28.497 28.738 0.019 0.000 0.907 192 Q HN 0.360 nan 8.270 nan 0.000 0.418 193 F N -0.163 119.782 119.950 -0.007 0.000 2.216 193 F HA -0.158 4.369 4.527 0.001 0.000 0.300 193 F C 2.136 177.965 175.800 0.048 0.000 1.085 193 F CA 1.102 59.093 58.000 -0.016 0.000 1.326 193 F CB -0.098 38.895 39.000 -0.012 0.000 1.027 193 F HN 0.100 nan 8.300 nan 0.000 0.497 194 M N -0.858 118.899 119.600 0.261 0.000 2.200 194 M HA -0.085 4.396 4.480 0.001 0.000 0.265 194 M C 0.430 176.786 176.300 0.092 0.000 1.066 194 M CA 1.053 56.454 55.300 0.168 0.000 1.127 194 M CB -0.093 32.593 32.600 0.144 0.000 1.379 194 M HN -0.323 nan 8.290 nan 0.000 0.420 195 K N 2.160 122.596 120.400 0.060 0.000 2.349 195 K HA 0.036 4.357 4.320 0.001 0.000 0.288 195 K C 0.174 176.768 176.600 -0.010 0.000 1.058 195 K CA 0.132 56.428 56.287 0.016 0.000 0.953 195 K CB 0.683 33.184 32.500 0.002 0.000 0.997 195 K HN 0.272 nan 8.250 nan 0.000 0.477 196 D N 0.801 121.194 120.400 -0.013 0.000 2.178 196 D HA -0.189 4.451 4.640 0.001 0.000 0.201 196 D C 1.351 177.628 176.300 -0.039 0.000 0.980 196 D CA 1.593 55.578 54.000 -0.025 0.000 0.842 196 D CB -0.296 40.491 40.800 -0.022 0.000 0.948 196 D HN 0.590 nan 8.370 nan 0.000 0.472 197 T N -2.101 112.428 114.554 -0.040 0.000 3.007 197 T HA -0.031 4.319 4.350 0.001 0.000 0.270 197 T C 1.761 176.422 174.700 -0.064 0.000 1.107 197 T CA 0.826 62.897 62.100 -0.049 0.000 1.118 197 T CB -0.294 68.546 68.868 -0.046 0.000 0.889 197 T HN 0.148 nan 8.240 nan 0.000 0.506 198 V N 0.695 120.566 119.914 -0.071 0.000 2.908 198 V HA 0.249 4.369 4.120 0.001 0.000 0.240 198 V C 1.102 177.121 176.094 -0.124 0.000 1.117 198 V CA 0.089 62.330 62.300 -0.097 0.000 1.133 198 V CB -0.268 31.496 31.823 -0.098 0.000 0.857 198 V HN 0.460 nan 8.190 nan 0.000 0.478 199 N N 2.616 121.247 118.700 -0.114 0.000 2.415 199 N HA 0.058 4.799 4.740 0.001 0.000 0.246 199 N C -0.646 174.804 175.510 -0.100 0.000 1.078 199 N CA 0.169 53.132 53.050 -0.146 0.000 0.942 199 N CB 1.064 39.482 38.487 -0.116 0.000 1.140 199 N HN 0.518 nan 8.380 nan 0.000 0.501 200 D N 2.407 122.741 120.400 -0.110 0.000 2.623 200 D HA 0.091 4.732 4.640 0.001 0.000 0.252 200 D C 0.043 176.300 176.300 -0.071 0.000 1.294 200 D CA -0.340 53.614 54.000 -0.076 0.000 0.824 200 D CB 0.079 40.837 40.800 -0.070 0.000 1.070 200 D HN 0.298 nan 8.370 nan 0.000 0.487 201 R N -0.078 120.372 120.500 -0.083 0.000 2.679 201 R HA 0.277 4.618 4.340 0.001 0.000 0.268 201 R C 0.951 177.237 176.300 -0.023 0.000 1.044 201 R CA 0.690 56.755 56.100 -0.059 0.000 1.105 201 R CB 0.337 30.606 30.300 -0.051 0.000 0.989 201 R HN 0.182 nan 8.270 nan 0.000 0.447 202 T N -2.917 111.629 114.554 -0.013 0.000 3.174 202 T HA 0.064 4.414 4.350 0.001 0.000 0.269 202 T C -0.004 174.699 174.700 0.006 0.000 1.017 202 T CA -0.512 61.585 62.100 -0.006 0.000 0.899 202 T CB -0.202 68.659 68.868 -0.011 0.000 1.077 202 T HN 0.652 nan 8.240 nan 0.000 0.552 203 D N 1.166 121.580 120.400 0.024 0.000 2.577 203 D HA 0.148 4.788 4.640 0.001 0.000 0.248 203 D C 1.338 177.653 176.300 0.026 0.000 1.181 203 D CA -0.638 53.383 54.000 0.035 0.000 1.083 203 D CB 0.182 41.023 40.800 0.068 0.000 1.198 203 D HN 0.302 nan 8.370 nan 0.000 0.626 204 E N -1.355 118.846 120.200 0.002 0.000 2.482 204 E HA -0.138 4.212 4.350 0.001 0.000 0.196 204 E C 0.481 176.967 176.600 -0.191 0.000 1.047 204 E CA 0.610 56.944 56.400 -0.111 0.000 0.869 204 E CB -0.432 29.151 29.700 -0.195 0.000 0.836 204 E HN 0.423 nan 8.360 nan 0.000 0.520 205 Y N 0.808 121.157 120.300 0.082 0.000 2.524 205 Y HA 0.414 4.964 4.550 0.001 0.000 0.266 205 Y C 0.815 176.782 175.900 0.110 0.000 1.180 205 Y CA 0.142 58.332 58.100 0.150 0.000 1.244 205 Y CB 1.420 40.031 38.460 0.252 0.000 1.125 205 Y HN 0.160 nan 8.280 nan 0.000 0.524 206 G N -2.673 106.209 108.800 0.135 0.000 2.550 206 G HA2 0.449 4.409 3.960 0.001 0.000 0.293 206 G HA3 0.449 4.409 3.960 0.001 0.000 0.293 206 G C 0.276 175.193 174.900 0.028 0.000 1.402 206 G CA -0.218 44.921 45.100 0.065 0.000 0.784 206 G HN 0.312 nan 8.290 nan 0.000 0.482 207 G N -1.515 107.290 108.800 0.009 0.000 2.195 207 G HA2 0.285 4.245 3.960 0.001 0.000 0.224 207 G HA3 0.285 4.245 3.960 0.001 0.000 0.224 207 G C 0.456 175.355 174.900 -0.001 0.000 0.990 207 G CA 1.210 46.309 45.100 -0.002 0.000 0.639 207 G HN 2.611 nan 8.290 nan 0.000 0.514 208 S N -1.878 113.828 115.700 0.010 0.000 2.611 208 S HA 0.561 5.031 4.470 0.001 0.000 0.270 208 S C 0.456 175.069 174.600 0.022 0.000 1.131 208 S CA 0.196 58.399 58.200 0.004 0.000 0.826 208 S CB 0.900 64.099 63.200 -0.002 0.000 1.095 208 S HN 1.448 nan 8.310 nan 0.000 0.461 209 L N 1.721 122.947 121.223 0.004 0.000 2.043 209 L HA -0.101 4.239 4.340 0.001 0.000 0.212 209 L C 2.660 179.581 176.870 0.085 0.000 1.075 209 L CA 2.832 57.687 54.840 0.025 0.000 0.752 209 L CB -1.131 40.889 42.059 -0.065 0.000 0.891 209 L HN 0.997 nan 8.230 nan 0.000 0.432 210 Q N -0.469 119.366 119.800 0.060 0.000 1.927 210 Q HA -0.295 4.045 4.340 0.001 0.000 0.210 210 Q C 1.918 177.972 176.000 0.090 0.000 1.001 210 Q CA 2.451 58.308 55.803 0.090 0.000 0.862 210 Q CB -0.307 28.461 28.738 0.050 0.000 0.934 210 Q HN 0.568 nan 8.270 nan 0.000 0.420 211 N N 0.216 118.950 118.700 0.057 0.000 2.192 211 N HA -0.157 4.584 4.740 0.001 0.000 0.188 211 N C 1.720 177.316 175.510 0.143 0.000 1.013 211 N CA 1.422 54.504 53.050 0.054 0.000 0.863 211 N CB -0.255 38.251 38.487 0.031 0.000 0.990 211 N HN 0.283 nan 8.380 nan 0.000 0.430 212 R N -0.406 120.183 120.500 0.148 0.000 2.075 212 R HA 0.074 4.415 4.340 0.001 0.000 0.232 212 R C 1.611 178.058 176.300 0.245 0.000 1.126 212 R CA 1.052 57.273 56.100 0.202 0.000 0.963 212 R CB -0.400 29.981 30.300 0.134 0.000 0.858 212 R HN 0.282 nan 8.270 nan 0.000 0.435 213 C N 0.498 119.913 119.300 0.192 0.000 2.562 213 C HA 0.105 4.565 4.460 0.001 0.000 0.266 213 C C 2.154 177.221 174.990 0.128 0.000 1.382 213 C CA -0.133 58.979 59.018 0.157 0.000 1.742 213 C CB -0.572 27.258 27.740 0.150 0.000 1.812 213 C HN 0.417 nan 8.230 nan 0.000 0.559 214 K N 0.472 120.969 120.400 0.162 0.000 2.113 214 K HA -0.195 4.125 4.320 0.001 0.000 0.208 214 K C 1.745 178.465 176.600 0.200 0.000 1.047 214 K CA 1.500 57.868 56.287 0.136 0.000 0.928 214 K CB -0.291 32.240 32.500 0.051 0.000 0.716 214 K HN 0.485 nan 8.250 nan 0.000 0.446 215 F N 2.408 122.391 119.950 0.054 0.000 2.026 215 F HA -0.135 4.393 4.527 0.001 0.000 0.296 215 F C -1.130 174.529 175.800 -0.235 0.000 1.133 215 F CA 0.911 58.798 58.000 -0.188 0.000 1.188 215 F CB -1.151 37.466 39.000 -0.640 0.000 0.968 215 F HN 0.017 nan 8.300 nan 0.000 0.476 216 P HA -0.154 nan 4.420 nan 0.000 0.222 216 P C 2.117 179.221 177.300 -0.326 0.000 1.147 216 P CA 1.576 64.457 63.100 -0.365 0.000 0.790 216 P CB -0.192 31.399 31.700 -0.182 0.000 0.780 217 L N 0.065 121.153 121.223 -0.226 0.000 2.044 217 L HA -0.087 4.254 4.340 0.001 0.000 0.205 217 L C 2.628 179.428 176.870 -0.117 0.000 1.075 217 L CA 1.424 56.103 54.840 -0.267 0.000 0.747 217 L CB -1.000 40.988 42.059 -0.117 0.000 0.903 217 L HN -0.049 nan 8.230 nan 0.000 0.435 218 E N 0.198 120.358 120.200 -0.067 0.000 2.265 218 E HA -0.192 4.158 4.350 0.001 0.000 0.196 218 E C 2.130 178.655 176.600 -0.125 0.000 0.996 218 E CA 1.029 57.412 56.400 -0.028 0.000 0.832 218 E CB 0.005 29.710 29.700 0.008 0.000 0.756 218 E HN 0.579 nan 8.360 nan 0.000 0.491 219 I N 0.043 120.441 120.570 -0.286 0.000 2.296 219 I HA -0.166 4.005 4.170 0.001 0.000 0.242 219 I C 2.282 178.289 176.117 -0.183 0.000 1.087 219 I CA 0.474 61.575 61.300 -0.331 0.000 1.393 219 I CB -0.157 37.466 38.000 -0.628 0.000 1.093 219 I HN -0.081 nan 8.210 nan 0.000 0.421 220 V N 1.223 121.015 119.914 -0.203 0.000 2.594 220 V HA -0.294 3.827 4.120 0.001 0.000 0.253 220 V C 2.047 178.172 176.094 0.053 0.000 1.069 220 V CA 2.216 64.439 62.300 -0.127 0.000 1.082 220 V CB -0.693 30.966 31.823 -0.274 0.000 0.680 220 V HN 0.465 nan 8.190 nan 0.000 0.469 221 D N 0.057 120.534 120.400 0.127 0.000 2.120 221 D HA -0.044 4.596 4.640 0.001 0.000 0.202 221 D C 2.151 178.508 176.300 0.095 0.000 0.972 221 D CA 1.329 55.475 54.000 0.242 0.000 0.837 221 D CB -0.080 40.895 40.800 0.292 0.000 0.989 221 D HN 0.329 nan 8.370 nan 0.000 0.469 222 A N -0.077 122.769 122.820 0.042 0.000 1.872 222 A HA -0.041 4.280 4.320 0.001 0.000 0.214 222 A C 2.454 180.052 177.584 0.024 0.000 1.187 222 A CA 1.384 53.436 52.037 0.025 0.000 0.614 222 A CB -0.793 18.213 19.000 0.010 0.000 0.826 222 A HN 0.196 nan 8.150 nan 0.000 0.442 223 V N 0.092 120.015 119.914 0.015 0.000 2.343 223 V HA -0.247 3.874 4.120 0.001 0.000 0.247 223 V C 3.058 179.167 176.094 0.025 0.000 1.051 223 V CA 1.880 64.191 62.300 0.017 0.000 1.036 223 V CB -1.343 30.485 31.823 0.008 0.000 0.654 223 V HN 0.611 nan 8.190 nan 0.000 0.451 224 A N 0.048 122.892 122.820 0.039 0.000 1.873 224 A HA -0.285 4.036 4.320 0.001 0.000 0.218 224 A C 2.300 179.909 177.584 0.041 0.000 1.193 224 A CA 2.276 54.345 52.037 0.052 0.000 0.629 224 A CB -0.524 18.525 19.000 0.082 0.000 0.826 224 A HN 0.541 nan 8.150 nan 0.000 0.447 225 K N -0.828 119.593 120.400 0.035 0.000 2.147 225 K HA -0.175 4.145 4.320 0.001 0.000 0.205 225 K C 2.100 178.712 176.600 0.019 0.000 1.049 225 K CA 1.370 57.671 56.287 0.023 0.000 0.936 225 K CB -0.089 32.422 32.500 0.018 0.000 0.722 225 K HN 0.542 nan 8.250 nan 0.000 0.446 226 E N 1.876 122.088 120.200 0.020 0.000 2.007 226 E HA -0.184 4.167 4.350 0.001 0.000 0.194 226 E C 1.618 178.225 176.600 0.013 0.000 0.999 226 E CA 1.688 58.097 56.400 0.015 0.000 0.811 226 E CB -0.112 29.597 29.700 0.015 0.000 0.762 226 E HN 0.451 nan 8.360 nan 0.000 0.450 227 I N -3.201 117.376 120.570 0.013 0.000 4.018 227 I HA 0.491 4.661 4.170 0.001 0.000 0.337 227 I C 0.506 176.641 176.117 0.030 0.000 1.327 227 I CA 0.220 61.527 61.300 0.012 0.000 1.100 227 I CB 0.335 38.331 38.000 -0.008 0.000 1.025 227 I HN 0.187 nan 8.210 nan 0.000 0.396 228 G N 2.765 111.585 108.800 0.035 0.000 2.911 228 G HA2 -0.101 3.859 3.960 0.001 0.000 0.686 228 G HA3 -0.101 3.859 3.960 0.001 0.000 0.686 228 G C -2.324 172.616 174.900 0.066 0.000 1.136 228 G CA -0.240 44.887 45.100 0.044 0.000 0.764 228 G HN 0.051 nan 8.290 nan 0.000 0.626 229 P HA -0.048 nan 4.420 nan 0.000 0.216 229 P C 1.151 178.517 177.300 0.112 0.000 1.153 229 P CA 1.821 64.971 63.100 0.082 0.000 0.844 229 P CB 0.008 31.750 31.700 0.071 0.000 0.787 230 D N -0.280 120.187 120.400 0.111 0.000 2.358 230 D HA -0.113 4.527 4.640 0.001 0.000 0.241 230 D C 1.291 177.757 176.300 0.276 0.000 1.094 230 D CA 0.352 54.441 54.000 0.150 0.000 0.907 230 D CB -0.502 40.346 40.800 0.079 0.000 0.893 230 D HN 0.265 nan 8.370 nan 0.000 0.528 231 R N -0.590 120.080 120.500 0.283 0.000 2.531 231 R HA 0.246 4.586 4.340 0.001 0.000 0.316 231 R C -0.447 176.105 176.300 0.421 0.000 0.955 231 R CA -0.169 56.211 56.100 0.467 0.000 1.120 231 R CB 1.740 32.222 30.300 0.303 0.000 1.361 231 R HN -0.002 nan 8.270 nan 0.000 0.534 232 V N 0.572 120.622 119.914 0.227 0.000 2.495 232 V HA 0.694 4.815 4.120 0.001 0.000 0.298 232 V C 0.361 176.405 176.094 -0.082 0.000 1.031 232 V CA -0.828 61.541 62.300 0.116 0.000 0.871 232 V CB 1.645 33.497 31.823 0.048 0.000 0.988 232 V HN 0.266 nan 8.190 nan 0.000 0.432 233 G N 3.005 111.629 108.800 -0.293 0.000 2.816 233 G HA2 0.867 4.827 3.960 0.001 0.000 0.288 233 G HA3 0.867 4.827 3.960 0.001 0.000 0.288 233 G C -1.553 173.108 174.900 -0.398 0.000 1.334 233 G CA -0.695 43.915 45.100 -0.817 0.000 0.978 233 G HN 0.738 nan 8.290 nan 0.000 0.493 234 I N -0.764 119.615 120.570 -0.319 0.000 2.752 234 I HA 0.600 4.771 4.170 0.001 0.000 0.295 234 I C -1.031 175.063 176.117 -0.038 0.000 1.219 234 I CA -1.061 60.166 61.300 -0.121 0.000 1.030 234 I CB 2.311 40.235 38.000 -0.126 0.000 1.259 234 I HN 0.485 nan 8.210 nan 0.000 0.423 235 R N 7.182 127.668 120.500 -0.024 0.000 2.393 235 R HA 0.761 5.102 4.340 0.001 0.000 0.310 235 R C -1.680 174.619 176.300 -0.003 0.000 0.968 235 R CA -0.561 55.488 56.100 -0.085 0.000 0.867 235 R CB 1.267 31.401 30.300 -0.278 0.000 1.124 235 R HN 0.590 nan 8.270 nan 0.000 0.450 236 L N 1.121 122.339 121.223 -0.009 0.000 2.371 236 L HA 0.627 4.967 4.340 0.001 0.000 0.262 236 L C -0.449 176.468 176.870 0.080 0.000 1.006 236 L CA -1.017 53.856 54.840 0.055 0.000 0.818 236 L CB 2.302 44.386 42.059 0.041 0.000 1.354 236 L HN 0.591 nan 8.230 nan 0.000 0.415 237 S N -0.985 114.786 115.700 0.119 0.000 2.216 237 S HA 0.392 4.863 4.470 0.001 0.000 0.156 237 S C -2.119 172.581 174.600 0.166 0.000 1.665 237 S CA -0.893 57.408 58.200 0.167 0.000 1.262 237 S CB 0.935 64.218 63.200 0.137 0.000 1.207 237 S HN 0.617 nan 8.310 nan 0.000 0.427 238 P HA 0.090 nan 4.420 nan 0.000 0.237 238 P C 0.260 177.403 177.300 -0.261 0.000 1.178 238 P CA 0.398 63.451 63.100 -0.079 0.000 0.766 238 P CB -0.247 31.346 31.700 -0.178 0.000 0.876 239 F N -0.126 119.861 119.950 0.061 0.000 2.653 239 F HA 0.369 4.896 4.527 0.001 0.000 0.288 239 F C 1.727 177.556 175.800 0.047 0.000 1.121 239 F CA -0.375 57.657 58.000 0.054 0.000 1.384 239 F CB -0.813 38.221 39.000 0.056 0.000 1.115 239 F HN -0.161 nan 8.300 nan 0.000 0.599 240 A N 0.844 123.804 122.820 0.233 0.000 2.313 240 A HA 0.376 4.697 4.320 0.001 0.000 0.261 240 A C 0.462 178.111 177.584 0.108 0.000 1.090 240 A CA 0.306 52.438 52.037 0.158 0.000 0.807 240 A CB -0.053 19.033 19.000 0.143 0.000 1.055 240 A HN 0.349 nan 8.150 nan 0.000 0.492 241 D N -0.796 119.665 120.400 0.101 0.000 2.636 241 D HA 0.017 4.657 4.640 0.001 0.000 0.270 241 D C -0.439 175.891 176.300 0.050 0.000 1.430 241 D CA -0.362 53.670 54.000 0.053 0.000 0.796 241 D CB -0.778 40.041 40.800 0.031 0.000 1.117 241 D HN 0.361 nan 8.370 nan 0.000 0.480 242 Y N 2.639 122.920 120.300 -0.032 0.000 2.810 242 Y HA 0.115 4.665 4.550 0.001 0.000 0.332 242 Y C 1.162 176.999 175.900 -0.106 0.000 1.243 242 Y CA 0.345 58.412 58.100 -0.055 0.000 1.537 242 Y CB 0.323 38.747 38.460 -0.060 0.000 1.265 242 Y HN 0.022 nan 8.280 nan 0.000 0.572 243 M N 4.741 123.896 119.600 -0.742 0.000 2.298 243 M HA -0.294 4.186 4.480 0.001 0.000 0.196 243 M C 0.230 176.317 176.300 -0.354 0.000 0.531 243 M CA 1.249 56.164 55.300 -0.641 0.000 0.459 243 M CB -2.181 30.003 32.600 -0.693 0.000 1.279 243 M HN 0.881 nan 8.290 nan 0.000 0.915 244 E N -1.533 118.519 120.200 -0.247 0.000 2.199 244 E HA -0.230 4.120 4.350 0.001 0.000 0.208 244 E C 0.472 176.996 176.600 -0.127 0.000 1.310 244 E CA 0.780 57.085 56.400 -0.158 0.000 0.709 244 E CB -1.310 28.290 29.700 -0.167 0.000 1.127 244 E HN 0.836 nan 8.360 nan 0.000 0.354 245 S N -1.156 114.487 115.700 -0.094 0.000 2.561 245 S HA 0.335 4.805 4.470 0.001 0.000 0.245 245 S C 0.832 175.417 174.600 -0.024 0.000 1.001 245 S CA -0.277 57.888 58.200 -0.059 0.000 1.002 245 S CB 1.044 64.217 63.200 -0.045 0.000 0.805 245 S HN 0.422 nan 8.310 nan 0.000 0.458 246 G N 0.732 109.516 108.800 -0.026 0.000 2.544 246 G HA2 0.403 4.363 3.960 0.001 0.000 0.242 246 G HA3 0.403 4.363 3.960 0.001 0.000 0.242 246 G C -0.888 174.000 174.900 -0.021 0.000 1.247 246 G CA -0.341 44.752 45.100 -0.013 0.000 0.840 246 G HN 0.474 nan 8.290 nan 0.000 0.578 247 D N -1.579 118.807 120.400 -0.023 0.000 2.342 247 D HA 0.418 5.059 4.640 0.001 0.000 0.243 247 D C 1.727 178.007 176.300 -0.033 0.000 1.019 247 D CA -0.115 53.868 54.000 -0.029 0.000 0.864 247 D CB 1.384 42.163 40.800 -0.034 0.000 1.315 247 D HN 0.305 nan 8.370 nan 0.000 0.468 248 T N 0.282 114.818 114.554 -0.031 0.000 2.962 248 T HA -0.082 4.268 4.350 0.001 0.000 0.270 248 T C 0.833 175.512 174.700 -0.037 0.000 1.088 248 T CA 0.456 62.538 62.100 -0.030 0.000 1.127 248 T CB -0.085 68.766 68.868 -0.029 0.000 0.883 248 T HN 0.284 nan 8.240 nan 0.000 0.493 249 N N 1.401 120.073 118.700 -0.047 0.000 2.716 249 N HA 0.254 4.995 4.740 0.001 0.000 0.245 249 N C -2.271 173.188 175.510 -0.084 0.000 1.495 249 N CA -1.859 51.156 53.050 -0.058 0.000 0.759 249 N CB 1.656 40.109 38.487 -0.055 0.000 1.261 249 N HN 0.072 nan 8.380 nan 0.000 0.515 250 P HA 0.011 nan 4.420 nan 0.000 0.215 250 P C 1.479 178.573 177.300 -0.344 0.000 1.157 250 P CA 0.947 63.914 63.100 -0.222 0.000 0.856 250 P CB 0.105 31.670 31.700 -0.225 0.000 0.786 251 G N 0.813 109.449 108.800 -0.274 0.000 2.503 251 G HA2 -0.320 3.640 3.960 0.001 0.000 0.221 251 G HA3 -0.320 3.640 3.960 0.001 0.000 0.221 251 G C 1.838 176.666 174.900 -0.120 0.000 1.131 251 G CA 1.343 46.317 45.100 -0.209 0.000 0.756 251 G HN 0.425 nan 8.290 nan 0.000 0.572 252 A N -0.074 122.695 122.820 -0.086 0.000 2.015 252 A HA 0.177 4.497 4.320 0.001 0.000 0.219 252 A C 2.313 179.912 177.584 0.025 0.000 1.163 252 A CA 1.500 53.521 52.037 -0.026 0.000 0.646 252 A CB -0.290 18.682 19.000 -0.047 0.000 0.806 252 A HN 0.398 nan 8.150 nan 0.000 0.448 253 L N 0.161 121.369 121.223 -0.024 0.000 2.017 253 L HA -0.021 4.319 4.340 0.001 0.000 0.208 253 L C 2.474 179.390 176.870 0.077 0.000 1.073 253 L CA 2.204 57.075 54.840 0.052 0.000 0.745 253 L CB -1.156 40.892 42.059 -0.019 0.000 0.894 253 L HN 0.326 nan 8.230 nan 0.000 0.432 254 G N -0.190 108.609 108.800 -0.001 0.000 2.529 254 G HA2 -0.355 3.606 3.960 0.001 0.000 0.219 254 G HA3 -0.355 3.606 3.960 0.001 0.000 0.219 254 G C 1.562 176.569 174.900 0.178 0.000 1.177 254 G CA 1.359 46.538 45.100 0.131 0.000 0.773 254 G HN 0.431 nan 8.290 nan 0.000 0.573 255 L N -0.721 120.600 121.223 0.163 0.000 1.973 255 L HA 0.005 4.345 4.340 0.001 0.000 0.208 255 L C 2.481 179.471 176.870 0.200 0.000 1.073 255 L CA 2.010 56.953 54.840 0.172 0.000 0.746 255 L CB -1.283 40.863 42.059 0.146 0.000 0.891 255 L HN 0.289 nan 8.230 nan 0.000 0.433 256 Y N -0.110 120.227 120.300 0.060 0.000 2.030 256 Y HA -0.374 4.176 4.550 0.001 0.000 0.272 256 Y C 2.572 178.517 175.900 0.075 0.000 1.185 256 Y CA 2.553 60.687 58.100 0.057 0.000 1.120 256 Y CB -0.590 37.889 38.460 0.033 0.000 0.955 256 Y HN 0.246 nan 8.280 nan 0.000 0.495 257 M N -0.180 119.432 119.600 0.020 0.000 2.073 257 M HA -0.236 4.244 4.480 0.001 0.000 0.258 257 M C 2.535 178.846 176.300 0.019 0.000 1.070 257 M CA 1.965 57.224 55.300 -0.070 0.000 1.103 257 M CB -1.906 30.704 32.600 0.017 0.000 1.321 257 M HN 0.438 nan 8.290 nan 0.000 0.405 258 A N -0.418 122.481 122.820 0.131 0.000 1.958 258 A HA -0.212 4.109 4.320 0.001 0.000 0.221 258 A C 2.179 179.914 177.584 0.251 0.000 1.178 258 A CA 1.899 54.082 52.037 0.243 0.000 0.642 258 A CB -0.555 18.594 19.000 0.249 0.000 0.816 258 A HN 0.501 nan 8.150 nan 0.000 0.453 259 E N -0.488 119.791 120.200 0.132 0.000 2.102 259 E HA -0.019 4.331 4.350 0.001 0.000 0.190 259 E C 2.359 178.982 176.600 0.038 0.000 0.971 259 E CA 0.998 57.457 56.400 0.098 0.000 0.821 259 E CB -0.272 29.488 29.700 0.101 0.000 0.777 259 E HN 0.560 nan 8.360 nan 0.000 0.460 260 S N 1.284 116.912 115.700 -0.119 0.000 2.420 260 S HA -0.104 4.366 4.470 0.001 0.000 0.237 260 S C 2.027 176.610 174.600 -0.029 0.000 1.023 260 S CA 0.753 58.838 58.200 -0.193 0.000 0.991 260 S CB -0.136 62.733 63.200 -0.551 0.000 0.792 260 S HN 0.208 nan 8.310 nan 0.000 0.488 261 L N 1.146 122.400 121.223 0.051 0.000 2.270 261 L HA 0.010 4.351 4.340 0.001 0.000 0.210 261 L C 2.146 179.169 176.870 0.255 0.000 1.104 261 L CA 0.447 55.385 54.840 0.162 0.000 0.804 261 L CB -0.557 41.679 42.059 0.296 0.000 0.937 261 L HN 0.240 nan 8.230 nan 0.000 0.450 262 N N 0.928 119.737 118.700 0.182 0.000 2.069 262 N HA -0.245 4.495 4.740 0.001 0.000 0.191 262 N C 1.776 177.339 175.510 0.088 0.000 1.031 262 N CA 1.344 54.421 53.050 0.044 0.000 0.852 262 N CB -0.197 38.291 38.487 0.002 0.000 1.018 262 N HN 0.325 nan 8.380 nan 0.000 0.423 263 K N 0.316 120.801 120.400 0.141 0.000 2.077 263 K HA -0.205 4.116 4.320 0.001 0.000 0.213 263 K C 1.314 177.985 176.600 0.118 0.000 1.051 263 K CA 1.564 57.930 56.287 0.132 0.000 0.929 263 K CB -0.196 32.423 32.500 0.198 0.000 0.715 263 K HN 0.193 nan 8.250 nan 0.000 0.451 264 Y N 0.140 120.445 120.300 0.008 0.000 2.546 264 Y HA 0.207 4.758 4.550 0.001 0.000 0.287 264 Y C 0.929 176.840 175.900 0.018 0.000 1.158 264 Y CA 0.369 58.475 58.100 0.010 0.000 1.307 264 Y CB -0.178 38.289 38.460 0.011 0.000 1.036 264 Y HN 0.287 nan 8.280 nan 0.000 0.532 265 G N 2.414 111.311 108.800 0.161 0.000 2.256 265 G HA2 -0.244 3.716 3.960 0.001 0.000 0.218 265 G HA3 -0.244 3.716 3.960 0.001 0.000 0.218 265 G C -0.014 174.954 174.900 0.114 0.000 0.485 265 G CA 0.700 45.846 45.100 0.077 0.000 1.003 265 G HN 0.539 nan 8.290 nan 0.000 0.360 266 I N -0.569 120.104 120.570 0.171 0.000 3.264 266 I HA 0.734 4.905 4.170 0.001 0.000 0.309 266 I C 1.509 177.772 176.117 0.244 0.000 1.099 266 I CA -1.501 59.909 61.300 0.183 0.000 0.989 266 I CB 1.119 39.212 38.000 0.156 0.000 1.250 266 I HN 0.228 nan 8.210 nan 0.000 0.478 267 L N 1.373 122.710 121.223 0.190 0.000 1.971 267 L HA -0.042 4.298 4.340 0.001 0.000 0.215 267 L C 0.198 177.311 176.870 0.405 0.000 1.072 267 L CA 2.020 57.002 54.840 0.236 0.000 0.758 267 L CB -0.383 41.790 42.059 0.189 0.000 0.889 267 L HN 0.818 nan 8.230 nan 0.000 0.433 268 Y N -3.860 116.595 120.300 0.259 0.000 2.670 268 Y HA 0.488 5.039 4.550 0.001 0.000 0.334 268 Y C -1.074 174.648 175.900 -0.297 0.000 1.185 268 Y CA -2.248 55.931 58.100 0.132 0.000 1.053 268 Y CB 0.528 38.986 38.460 -0.003 0.000 1.298 268 Y HN -0.117 nan 8.280 nan 0.000 0.459 269 C N 2.308 121.380 119.300 -0.381 0.000 2.369 269 C HA 0.584 5.045 4.460 0.001 0.000 0.322 269 C C -1.300 173.473 174.990 -0.361 0.000 1.258 269 C CA -0.154 58.523 59.018 -0.569 0.000 1.487 269 C CB -0.417 26.670 27.740 -1.089 0.000 2.165 269 C HN 1.051 nan 8.230 nan 0.000 0.483 270 H N 4.602 123.528 119.070 -0.240 0.000 2.638 270 H HA 0.700 5.256 4.556 0.001 0.000 0.317 270 H C -1.199 173.973 175.328 -0.260 0.000 1.006 270 H CA -0.462 55.418 56.048 -0.280 0.000 1.222 270 H CB 1.132 30.885 29.762 -0.015 0.000 1.419 270 H HN 0.575 nan 8.280 nan 0.000 0.489 271 V N 6.792 126.638 119.914 -0.115 0.000 2.735 271 V HA 0.270 4.391 4.120 0.001 0.000 0.310 271 V C 0.129 176.252 176.094 0.048 0.000 1.061 271 V CA -0.837 61.446 62.300 -0.029 0.000 0.913 271 V CB 2.075 33.933 31.823 0.058 0.000 1.005 271 V HN 0.686 nan 8.190 nan 0.000 0.428 272 I N 2.324 122.927 120.570 0.054 0.000 2.428 272 I HA 0.326 4.496 4.170 0.001 0.000 0.289 272 I C 0.466 176.606 176.117 0.039 0.000 1.019 272 I CA -0.290 61.040 61.300 0.050 0.000 1.351 272 I CB 1.235 39.254 38.000 0.031 0.000 1.412 272 I HN 0.656 nan 8.210 nan 0.000 0.513 273 E N 4.470 124.662 120.200 -0.012 0.000 2.404 273 E HA 0.317 4.667 4.350 0.001 0.000 0.261 273 E C -0.112 176.362 176.600 -0.210 0.000 1.074 273 E CA -0.023 56.286 56.400 -0.152 0.000 0.917 273 E CB 0.949 30.563 29.700 -0.144 0.000 0.965 273 E HN 0.614 nan 8.360 nan 0.000 0.433 274 A N 3.976 126.527 122.820 -0.448 0.000 2.296 274 A HA 0.237 4.557 4.320 0.001 0.000 0.276 274 A C 0.098 177.624 177.584 -0.097 0.000 1.356 274 A CA -0.119 51.761 52.037 -0.263 0.000 0.825 274 A CB 0.239 18.985 19.000 -0.423 0.000 1.308 274 A HN 0.712 nan 8.150 nan 0.000 0.515 275 R N 0.063 120.560 120.500 -0.006 0.000 4.980 275 R HA 0.175 4.516 4.340 0.001 0.000 0.190 275 R C -0.318 175.969 176.300 -0.022 0.000 2.095 275 R CA 0.448 56.551 56.100 0.004 0.000 1.717 275 R CB -1.252 29.074 30.300 0.043 0.000 1.337 275 R HN 0.721 nan 8.270 nan 0.000 0.820 288 T N 0.224 114.945 114.554 0.278 0.000 3.139 288 T HA 0.072 4.422 4.350 0.001 0.000 0.226 288 T C 1.177 176.007 174.700 0.217 0.000 1.010 288 T CA 0.811 63.033 62.100 0.202 0.000 1.487 288 T CB 0.021 68.754 68.868 -0.225 0.000 1.204 288 T HN 0.064 nan 8.240 nan 0.000 0.437 289 L N 0.225 121.480 121.223 0.052 0.000 2.664 289 L HA 0.472 4.813 4.340 0.001 0.000 0.233 289 L C 2.403 179.271 176.870 -0.004 0.000 1.113 289 L CA 0.173 55.087 54.840 0.123 0.000 0.896 289 L CB -0.120 42.050 42.059 0.185 0.000 1.163 289 L HN 0.384 nan 8.230 nan 0.000 0.497 290 M N 0.252 119.848 119.600 -0.007 0.000 2.064 290 M HA -0.083 4.397 4.480 0.001 0.000 0.260 290 M C -0.450 175.812 176.300 -0.064 0.000 1.073 290 M CA 2.120 57.387 55.300 -0.055 0.000 1.124 290 M CB -1.134 31.446 32.600 -0.034 0.000 1.326 290 M HN 0.012 nan 8.290 nan 0.000 0.410 291 P HA -0.053 nan 4.420 nan 0.000 0.231 291 P C 1.234 178.543 177.300 0.014 0.000 1.158 291 P CA 1.094 64.214 63.100 0.033 0.000 0.763 291 P CB -0.111 31.650 31.700 0.101 0.000 0.805 292 M N -0.995 118.587 119.600 -0.031 0.000 2.216 292 M HA -0.066 4.414 4.480 0.001 0.000 0.264 292 M C 2.207 178.308 176.300 -0.332 0.000 1.080 292 M CA 1.517 56.797 55.300 -0.033 0.000 1.153 292 M CB -0.231 32.456 32.600 0.146 0.000 1.356 292 M HN -0.128 nan 8.290 nan 0.000 0.432 293 R N 0.651 120.620 120.500 -0.886 0.000 2.148 293 R HA -0.021 4.320 4.340 0.001 0.000 0.223 293 R C 1.585 177.727 176.300 -0.263 0.000 1.088 293 R CA 1.426 56.908 56.100 -1.030 0.000 0.985 293 R CB -0.616 29.050 30.300 -1.056 0.000 0.880 293 R HN 0.206 nan 8.270 nan 0.000 0.451 294 K N 0.461 120.758 120.400 -0.171 0.000 2.025 294 K HA 0.024 4.344 4.320 0.001 0.000 0.207 294 K C 2.210 178.816 176.600 0.010 0.000 1.049 294 K CA 1.512 57.770 56.287 -0.050 0.000 0.933 294 K CB -0.233 32.249 32.500 -0.029 0.000 0.714 294 K HN 0.320 nan 8.250 nan 0.000 0.438 295 A N 1.277 124.120 122.820 0.040 0.000 1.873 295 A HA -0.100 4.220 4.320 0.001 0.000 0.215 295 A C 0.845 178.517 177.584 0.148 0.000 1.186 295 A CA 0.508 52.602 52.037 0.095 0.000 0.616 295 A CB -0.483 18.591 19.000 0.123 0.000 0.823 295 A HN 0.267 nan 8.150 nan 0.000 0.442 296 F N 1.158 121.145 119.950 0.062 0.000 2.543 296 F HA 0.199 4.727 4.527 0.001 0.000 0.375 296 F C 1.223 177.087 175.800 0.106 0.000 1.075 296 F CA -0.397 57.679 58.000 0.127 0.000 1.225 296 F CB 0.741 39.903 39.000 0.269 0.000 1.099 296 F HN 0.011 nan 8.300 nan 0.000 0.561 297 K N 4.050 124.163 120.400 -0.479 0.000 2.228 297 K HA 0.109 4.430 4.320 0.001 0.000 0.202 297 K C 1.139 177.527 176.600 -0.352 0.000 1.051 297 K CA 0.714 56.801 56.287 -0.333 0.000 0.960 297 K CB -0.401 31.929 32.500 -0.284 0.000 0.743 297 K HN 0.756 nan 8.250 nan 0.000 0.458 298 G N 0.594 108.883 108.800 -0.850 0.000 2.543 298 G HA2 0.161 4.122 3.960 0.001 0.000 0.267 298 G HA3 0.161 4.122 3.960 0.001 0.000 0.267 298 G C -0.480 174.721 174.900 0.501 0.000 1.406 298 G CA -0.455 44.554 45.100 -0.151 0.000 1.048 298 G HN -0.012 nan 8.290 nan 0.000 0.548 299 T N 0.026 114.952 114.554 0.619 0.000 2.932 299 T HA 0.279 4.629 4.350 0.001 0.000 0.312 299 T C -1.040 173.979 174.700 0.531 0.000 1.071 299 T CA 0.746 63.172 62.100 0.543 0.000 1.128 299 T CB 0.373 69.507 68.868 0.443 0.000 0.984 299 T HN 0.249 nan 8.240 nan 0.000 0.549 300 F N 2.825 122.846 119.950 0.118 0.000 2.518 300 F HA 0.604 5.132 4.527 0.001 0.000 0.323 300 F C -0.917 174.788 175.800 -0.158 0.000 1.129 300 F CA -1.150 56.857 58.000 0.011 0.000 0.920 300 F CB 0.967 40.009 39.000 0.071 0.000 1.160 300 F HN 0.378 nan 8.300 nan 0.000 0.440 301 I N 4.349 124.570 120.570 -0.582 0.000 2.433 301 I HA 0.386 4.556 4.170 0.001 0.000 0.292 301 I C -0.474 175.352 176.117 -0.484 0.000 1.001 301 I CA -0.579 60.386 61.300 -0.558 0.000 1.119 301 I CB 1.979 39.461 38.000 -0.863 0.000 1.289 301 I HN 0.431 nan 8.210 nan 0.000 0.438 302 S N 4.100 119.605 115.700 -0.323 0.000 2.509 302 S HA 0.877 5.348 4.470 0.001 0.000 0.297 302 S C -0.437 174.039 174.600 -0.207 0.000 1.118 302 S CA -0.560 57.559 58.200 -0.136 0.000 1.074 302 S CB 1.965 65.159 63.200 -0.010 0.000 1.038 302 S HN 0.754 nan 8.310 nan 0.000 0.498 303 A N 1.031 123.948 122.820 0.163 0.000 2.594 303 A HA 0.888 5.208 4.320 0.001 0.000 0.295 303 A C -0.107 177.628 177.584 0.251 0.000 1.071 303 A CA -0.245 51.899 52.037 0.179 0.000 0.685 303 A CB 1.163 20.253 19.000 0.150 0.000 1.285 303 A HN 1.871 nan 8.150 nan 0.000 0.405 304 G N -0.373 108.540 108.800 0.188 0.000 2.721 304 G HA2 0.527 4.488 3.960 0.001 0.000 0.462 304 G HA3 0.527 4.488 3.960 0.001 0.000 0.462 304 G C 1.145 175.993 174.900 -0.087 0.000 1.062 304 G CA 0.954 46.080 45.100 0.043 0.000 1.233 304 G HN 2.917 nan 8.290 nan 0.000 0.545 305 G N -0.060 108.701 108.800 -0.065 0.000 2.238 305 G HA2 -0.068 3.893 3.960 0.001 0.000 0.217 305 G HA3 -0.068 3.893 3.960 0.001 0.000 0.217 305 G C 0.607 175.415 174.900 -0.154 0.000 0.996 305 G CA 0.277 45.283 45.100 -0.156 0.000 0.632 305 G HN 1.477 nan 8.290 nan 0.000 0.503 306 F N 2.131 122.075 119.950 -0.009 0.000 2.545 306 F HA 0.486 5.013 4.527 0.001 0.000 0.348 306 F C 1.565 177.567 175.800 0.337 0.000 1.163 306 F CA 1.294 59.304 58.000 0.017 0.000 1.331 306 F CB 1.042 39.851 39.000 -0.318 0.000 1.138 306 F HN 0.389 nan 8.300 nan 0.000 0.602 307 T N -0.992 113.860 114.554 0.496 0.000 2.605 307 T HA 0.372 4.722 4.350 0.001 0.000 0.216 307 T C 0.771 175.359 174.700 -0.187 0.000 0.812 307 T CA -0.623 61.617 62.100 0.233 0.000 1.352 307 T CB 0.838 69.742 68.868 0.060 0.000 1.694 307 T HN 0.363 nan 8.240 nan 0.000 0.440 308 R N 0.931 121.216 120.500 -0.359 0.000 2.029 308 R HA 0.300 4.640 4.340 0.001 0.000 0.210 308 R C 2.357 178.507 176.300 -0.250 0.000 1.272 308 R CA 1.622 57.392 56.100 -0.550 0.000 0.998 308 R CB -1.090 28.981 30.300 -0.381 0.000 0.823 308 R HN 0.669 nan 8.270 nan 0.000 0.481 309 E N 1.240 121.354 120.200 -0.143 0.000 2.108 309 E HA -0.243 4.107 4.350 0.001 0.000 0.203 309 E C 1.710 178.310 176.600 0.000 0.000 1.022 309 E CA 1.815 58.176 56.400 -0.065 0.000 0.823 309 E CB -0.459 29.212 29.700 -0.050 0.000 0.744 309 E HN 0.406 nan 8.360 nan 0.000 0.456 310 D N -0.530 119.886 120.400 0.027 0.000 2.160 310 D HA -0.187 4.454 4.640 0.001 0.000 0.189 310 D C 2.021 178.517 176.300 0.326 0.000 1.003 310 D CA 1.896 55.950 54.000 0.090 0.000 0.846 310 D CB -0.517 40.313 40.800 0.051 0.000 0.949 310 D HN 0.316 nan 8.370 nan 0.000 0.446 311 G N 0.396 109.435 108.800 0.399 0.000 2.394 311 G HA2 -0.235 3.726 3.960 0.001 0.000 0.214 311 G HA3 -0.235 3.726 3.960 0.001 0.000 0.214 311 G C 1.662 176.607 174.900 0.074 0.000 1.176 311 G CA 0.518 45.773 45.100 0.258 0.000 0.786 311 G HN 0.216 nan 8.290 nan 0.000 0.533 312 N N 0.908 119.610 118.700 0.003 0.000 2.018 312 N HA -0.160 4.581 4.740 0.001 0.000 0.196 312 N C 2.112 177.630 175.510 0.013 0.000 1.043 312 N CA 1.697 54.734 53.050 -0.020 0.000 0.856 312 N CB -0.502 37.950 38.487 -0.058 0.000 1.042 312 N HN 0.585 nan 8.380 nan 0.000 0.423 313 E N 0.823 121.040 120.200 0.028 0.000 2.070 313 E HA -0.161 4.190 4.350 0.001 0.000 0.197 313 E C 1.809 178.441 176.600 0.053 0.000 1.004 313 E CA 1.780 58.200 56.400 0.032 0.000 0.805 313 E CB -0.258 29.458 29.700 0.028 0.000 0.744 313 E HN 0.356 nan 8.360 nan 0.000 0.451 314 A N 0.123 123.007 122.820 0.107 0.000 1.972 314 A HA -0.100 4.220 4.320 0.001 0.000 0.219 314 A C 2.389 180.000 177.584 0.045 0.000 1.169 314 A CA 1.504 53.613 52.037 0.120 0.000 0.635 314 A CB -0.478 18.691 19.000 0.281 0.000 0.810 314 A HN 0.237 nan 8.150 nan 0.000 0.446 315 V N 0.469 120.393 119.914 0.018 0.000 2.256 315 V HA -0.195 3.925 4.120 0.001 0.000 0.240 315 V C 3.021 179.122 176.094 0.011 0.000 1.036 315 V CA 2.228 64.526 62.300 -0.005 0.000 1.008 315 V CB -0.951 30.865 31.823 -0.013 0.000 0.648 315 V HN 0.791 nan 8.190 nan 0.000 0.453 316 S N 0.452 116.160 115.700 0.013 0.000 2.365 316 S HA -0.252 4.219 4.470 0.001 0.000 0.225 316 S C 1.669 176.278 174.600 0.015 0.000 1.039 316 S CA 1.372 59.581 58.200 0.014 0.000 1.033 316 S CB -0.511 62.694 63.200 0.009 0.000 0.887 316 S HN 0.476 nan 8.310 nan 0.000 0.447 317 K N 1.490 121.899 120.400 0.014 0.000 2.569 317 K HA 0.222 4.543 4.320 0.001 0.000 0.193 317 K C 1.368 177.974 176.600 0.011 0.000 1.026 317 K CA 0.579 56.873 56.287 0.011 0.000 1.093 317 K CB -1.008 31.497 32.500 0.009 0.000 0.849 317 K HN 0.691 nan 8.250 nan 0.000 0.509 318 G N 2.360 111.168 108.800 0.014 0.000 2.187 318 G HA2 -0.339 3.622 3.960 0.001 0.000 0.261 318 G HA3 -0.339 3.622 3.960 0.001 0.000 0.261 318 G C 0.947 175.849 174.900 0.003 0.000 1.000 318 G CA 0.499 45.606 45.100 0.013 0.000 0.718 318 G HN 0.250 nan 8.290 nan 0.000 0.519 319 R N -0.432 120.075 120.500 0.012 0.000 2.115 319 R HA 0.109 4.450 4.340 0.001 0.000 0.226 319 R C 1.335 177.651 176.300 0.027 0.000 1.100 319 R CA 1.449 57.558 56.100 0.015 0.000 0.980 319 R CB -0.678 29.653 30.300 0.052 0.000 0.875 319 R HN 0.534 nan 8.270 nan 0.000 0.445 320 T N -0.765 113.811 114.554 0.036 0.000 2.841 320 T HA 0.282 4.632 4.350 0.001 0.000 0.296 320 T C -0.467 174.208 174.700 -0.042 0.000 1.166 320 T CA -0.782 61.355 62.100 0.061 0.000 1.007 320 T CB 1.921 70.812 68.868 0.039 0.000 1.253 320 T HN -0.112 nan 8.240 nan 0.000 0.511 321 D N 0.637 120.970 120.400 -0.111 0.000 2.338 321 D HA 0.304 4.944 4.640 0.001 0.000 0.224 321 D C 0.426 176.426 176.300 -0.500 0.000 0.967 321 D CA 0.675 54.428 54.000 -0.411 0.000 0.896 321 D CB 0.572 40.983 40.800 -0.648 0.000 1.028 321 D HN 0.346 nan 8.370 nan 0.000 0.493 322 L N 0.087 121.081 121.223 -0.382 0.000 2.303 322 L HA 0.542 4.882 4.340 0.001 0.000 0.256 322 L C -0.956 175.711 176.870 -0.338 0.000 1.034 322 L CA -1.032 53.616 54.840 -0.320 0.000 0.832 322 L CB 3.074 44.939 42.059 -0.322 0.000 1.403 322 L HN -0.364 nan 8.230 nan 0.000 0.419 323 V N 0.705 120.441 119.914 -0.298 0.000 2.525 323 V HA 0.643 4.764 4.120 0.001 0.000 0.299 323 V C -0.261 175.647 176.094 -0.309 0.000 1.034 323 V CA -0.630 61.358 62.300 -0.520 0.000 0.863 323 V CB 1.576 33.051 31.823 -0.581 0.000 0.999 323 V HN 0.790 nan 8.190 nan 0.000 0.423 324 A N 4.642 127.225 122.820 -0.394 0.000 2.276 324 A HA 0.829 5.149 4.320 0.001 0.000 0.316 324 A C -1.176 176.306 177.584 -0.170 0.000 1.229 324 A CA -0.292 51.648 52.037 -0.162 0.000 0.851 324 A CB 0.336 19.229 19.000 -0.179 0.000 1.165 324 A HN 0.730 nan 8.150 nan 0.000 0.513 325 Y N 1.313 121.716 120.300 0.172 0.000 2.387 325 Y HA 0.525 5.075 4.550 0.001 0.000 0.336 325 Y C 1.305 177.314 175.900 0.181 0.000 1.067 325 Y CA 0.612 58.861 58.100 0.249 0.000 1.114 325 Y CB 2.329 40.994 38.460 0.341 0.000 1.208 325 Y HN 0.756 nan 8.280 nan 0.000 0.458 326 G N 1.615 110.542 108.800 0.213 0.000 2.534 326 G HA2 0.037 3.998 3.960 0.001 0.000 0.224 326 G HA3 0.037 3.998 3.960 0.001 0.000 0.224 326 G C 1.099 175.953 174.900 -0.077 0.000 1.822 326 G CA -0.304 44.804 45.100 0.013 0.000 0.805 326 G HN 0.592 nan 8.290 nan 0.000 0.649 327 R N -0.621 119.702 120.500 -0.295 0.000 2.159 327 R HA -0.057 4.284 4.340 0.001 0.000 0.237 327 R C 2.270 178.416 176.300 -0.256 0.000 1.131 327 R CA 1.256 57.019 56.100 -0.562 0.000 0.982 327 R CB -0.240 29.396 30.300 -1.107 0.000 0.868 327 R HN 0.553 nan 8.270 nan 0.000 0.453 328 W N -1.158 120.182 121.300 0.066 0.000 2.467 328 W HA -0.064 4.596 4.660 0.001 0.000 0.275 328 W C 1.662 178.174 176.519 -0.011 0.000 1.239 328 W CA -0.297 57.109 57.345 0.102 0.000 1.266 328 W CB -0.004 29.560 29.460 0.174 0.000 1.112 328 W HN 0.010 nan 8.180 nan 0.000 0.576 329 F N -0.182 119.835 119.950 0.111 0.000 2.473 329 F HA 0.062 4.589 4.527 0.001 0.000 0.294 329 F C 2.049 177.754 175.800 -0.159 0.000 1.103 329 F CA 0.547 58.510 58.000 -0.063 0.000 1.442 329 F CB -0.784 38.200 39.000 -0.026 0.000 1.097 329 F HN -0.240 nan 8.300 nan 0.000 0.547 330 L N 0.059 121.317 121.223 0.057 0.000 2.046 330 L HA -0.092 4.248 4.340 0.001 0.000 0.208 330 L C 2.000 178.687 176.870 -0.304 0.000 1.077 330 L CA 1.731 56.522 54.840 -0.082 0.000 0.747 330 L CB -0.446 41.497 42.059 -0.193 0.000 0.896 330 L HN 0.061 nan 8.230 nan 0.000 0.432 331 A N -0.806 121.733 122.820 -0.469 0.000 2.337 331 A HA 0.152 4.472 4.320 0.001 0.000 0.227 331 A C 0.076 177.395 177.584 -0.443 0.000 1.259 331 A CA -0.127 51.245 52.037 -1.108 0.000 0.870 331 A CB -0.297 18.345 19.000 -0.597 0.000 0.927 331 A HN 0.575 nan 8.150 nan 0.000 0.497 332 N N 0.301 118.870 118.700 -0.217 0.000 2.732 332 N HA 0.131 4.872 4.740 0.001 0.000 0.247 332 N C -2.626 172.751 175.510 -0.221 0.000 1.305 332 N CA -0.798 52.131 53.050 -0.201 0.000 0.762 332 N CB 1.828 40.176 38.487 -0.231 0.000 1.361 332 N HN 0.009 nan 8.380 nan 0.000 0.545 333 P HA -0.158 nan 4.420 nan 0.000 0.217 333 P C -0.122 177.047 177.300 -0.219 0.000 1.151 333 P CA 1.546 64.437 63.100 -0.348 0.000 0.849 333 P CB 0.080 31.249 31.700 -0.885 0.000 0.787 334 D N -0.611 119.588 120.400 -0.334 0.000 2.622 334 D HA 0.145 4.785 4.640 0.001 0.000 0.262 334 D C 0.918 176.967 176.300 -0.418 0.000 1.189 334 D CA -0.725 53.154 54.000 -0.203 0.000 0.985 334 D CB 0.127 40.940 40.800 0.021 0.000 0.994 334 D HN 0.000 nan 8.370 nan 0.000 0.513 335 L N 1.670 122.457 121.223 -0.726 0.000 2.145 335 L HA 0.240 4.581 4.340 0.001 0.000 0.201 335 L C -0.953 175.263 176.870 -1.091 0.000 1.075 335 L CA 0.915 55.088 54.840 -1.113 0.000 0.773 335 L CB -0.764 40.307 42.059 -1.646 0.000 0.936 335 L HN 0.059 nan 8.230 nan 0.000 0.451 336 P HA -0.226 nan 4.420 nan 0.000 0.216 336 P C 1.297 178.314 177.300 -0.472 0.000 1.150 336 P CA 1.581 64.242 63.100 -0.732 0.000 0.843 336 P CB 0.057 31.217 31.700 -0.899 0.000 0.787 337 K N -0.194 119.994 120.400 -0.353 0.000 2.062 337 K HA -0.062 4.258 4.320 0.001 0.000 0.205 337 K C 2.114 178.606 176.600 -0.181 0.000 1.051 337 K CA 1.169 57.336 56.287 -0.199 0.000 0.941 337 K CB -0.269 32.157 32.500 -0.124 0.000 0.719 337 K HN -0.106 nan 8.250 nan 0.000 0.440 338 R N -0.513 119.824 120.500 -0.272 0.000 2.082 338 R HA -0.091 4.249 4.340 0.001 0.000 0.234 338 R C 1.958 178.219 176.300 -0.065 0.000 1.136 338 R CA 1.586 57.559 56.100 -0.212 0.000 0.935 338 R CB -0.570 29.519 30.300 -0.352 0.000 0.842 338 R HN 0.179 nan 8.270 nan 0.000 0.430 339 F N 1.339 121.123 119.950 -0.276 0.000 2.605 339 F HA -0.148 4.379 4.527 0.001 0.000 0.296 339 F C 2.214 177.910 175.800 -0.173 0.000 1.146 339 F CA 0.967 58.818 58.000 -0.248 0.000 1.478 339 F CB -0.604 38.209 39.000 -0.311 0.000 1.107 339 F HN 0.259 nan 8.300 nan 0.000 0.600 340 Q N -0.798 119.010 119.800 0.013 0.000 2.471 340 Q HA 0.124 4.464 4.340 0.001 0.000 0.241 340 Q C 0.085 176.074 176.000 -0.018 0.000 0.886 340 Q CA 0.379 56.175 55.803 -0.011 0.000 0.953 340 Q CB 0.672 29.387 28.738 -0.038 0.000 1.108 340 Q HN 0.069 nan 8.270 nan 0.000 0.575 341 V N 3.290 123.184 119.914 -0.032 0.000 2.219 341 V HA 0.133 4.253 4.120 0.001 0.000 0.267 341 V C -0.950 175.126 176.094 -0.030 0.000 1.266 341 V CA -0.558 61.724 62.300 -0.031 0.000 1.270 341 V CB 0.358 32.158 31.823 -0.038 0.000 1.356 341 V HN 0.266 nan 8.190 nan 0.000 0.490 342 D N 4.114 124.501 120.400 -0.022 0.000 8.089 342 D HA -0.101 4.539 4.640 0.001 0.000 0.148 342 D C 0.419 176.700 176.300 -0.032 0.000 1.326 342 D CA 1.322 55.308 54.000 -0.024 0.000 0.871 342 D CB 0.256 41.041 40.800 -0.025 0.000 1.699 342 D HN 0.731 nan 8.370 nan 0.000 0.977 343 A N 3.681 126.479 122.820 -0.038 0.000 2.520 343 A HA 0.632 4.953 4.320 0.001 0.000 0.298 343 A C -2.291 175.251 177.584 -0.071 0.000 1.051 343 A CA -1.121 50.884 52.037 -0.053 0.000 0.690 343 A CB 1.901 20.864 19.000 -0.062 0.000 1.281 343 A HN 0.167 nan 8.150 nan 0.000 0.402 344 P HA 0.521 nan 4.420 nan 0.000 0.288 344 P C -0.760 176.460 177.300 -0.132 0.000 1.291 344 P CA -0.120 62.922 63.100 -0.098 0.000 0.766 344 P CB 0.441 32.100 31.700 -0.068 0.000 1.242 345 L N -0.612 120.513 121.223 -0.164 0.000 2.354 345 L HA 0.445 4.785 4.340 0.001 0.000 0.264 345 L C 0.550 177.411 176.870 -0.016 0.000 1.008 345 L CA -1.103 53.639 54.840 -0.163 0.000 0.819 345 L CB 1.440 43.271 42.059 -0.381 0.000 1.339 345 L HN 0.252 nan 8.230 nan 0.000 0.420 346 N N 0.822 119.557 118.700 0.059 0.000 2.424 346 N HA 0.241 4.981 4.740 0.001 0.000 0.257 346 N C -0.633 175.031 175.510 0.257 0.000 1.250 346 N CA -0.325 52.805 53.050 0.132 0.000 0.946 346 N CB 0.969 39.541 38.487 0.141 0.000 1.175 346 N HN 0.457 nan 8.380 nan 0.000 0.477 347 K N 0.843 121.349 120.400 0.177 0.000 2.144 347 K HA 0.177 4.498 4.320 0.001 0.000 0.270 347 K C -0.545 176.094 176.600 0.066 0.000 1.005 347 K CA -0.472 55.849 56.287 0.056 0.000 0.932 347 K CB 0.560 33.026 32.500 -0.057 0.000 1.021 347 K HN 0.453 nan 8.250 nan 0.000 0.462 348 Y N -1.029 119.320 120.300 0.082 0.000 2.299 348 Y HA 0.249 4.800 4.550 0.001 0.000 0.326 348 Y C -0.148 175.816 175.900 0.107 0.000 1.164 348 Y CA -1.606 56.574 58.100 0.133 0.000 1.234 348 Y CB 0.537 39.091 38.460 0.155 0.000 1.219 348 Y HN 0.467 nan 8.280 nan 0.000 0.497 349 D N 3.194 123.761 120.400 0.277 0.000 2.524 349 D HA 0.212 4.852 4.640 0.001 0.000 0.222 349 D C 0.963 176.779 176.300 -0.808 0.000 1.142 349 D CA -0.281 53.648 54.000 -0.118 0.000 0.973 349 D CB 0.305 41.104 40.800 -0.002 0.000 1.025 349 D HN 0.556 nan 8.370 nan 0.000 0.519 350 R N 2.438 122.414 120.500 -0.873 0.000 2.159 350 R HA -0.178 4.162 4.340 0.001 0.000 0.249 350 R C -0.804 175.122 176.300 -0.623 0.000 1.136 350 R CA 1.607 57.054 56.100 -1.090 0.000 0.951 350 R CB -1.836 28.378 30.300 -0.143 0.000 0.876 350 R HN 0.441 nan 8.270 nan 0.000 0.440 351 P HA -0.086 nan 4.420 nan 0.000 0.224 351 P C 0.775 178.014 177.300 -0.102 0.000 1.142 351 P CA 1.620 64.651 63.100 -0.116 0.000 0.778 351 P CB -0.076 31.580 31.700 -0.073 0.000 0.764 352 T N -7.220 107.211 114.554 -0.206 0.000 3.040 352 T HA 0.177 4.527 4.350 0.001 0.000 0.266 352 T C 1.174 175.878 174.700 0.005 0.000 1.005 352 T CA -0.232 61.820 62.100 -0.079 0.000 0.906 352 T CB -0.732 68.100 68.868 -0.061 0.000 1.082 352 T HN -0.193 nan 8.240 nan 0.000 0.531 353 F N 1.646 121.564 119.950 -0.053 0.000 2.095 353 F HA 0.096 4.624 4.527 0.001 0.000 0.298 353 F C 1.474 177.051 175.800 -0.372 0.000 1.104 353 F CA 0.505 58.342 58.000 -0.272 0.000 1.232 353 F CB -0.868 37.793 39.000 -0.566 0.000 0.987 353 F HN 0.268 nan 8.300 nan 0.000 0.475 354 Y N -0.325 120.098 120.300 0.205 0.000 2.458 354 Y HA 0.175 4.726 4.550 0.001 0.000 0.256 354 Y C 1.366 177.298 175.900 0.054 0.000 1.159 354 Y CA -0.534 57.628 58.100 0.103 0.000 1.261 354 Y CB -1.158 37.374 38.460 0.120 0.000 1.119 354 Y HN -0.114 nan 8.280 nan 0.000 0.524 355 T N -2.004 112.633 114.554 0.138 0.000 2.754 355 T HA 0.163 4.513 4.350 0.001 0.000 0.286 355 T C 1.124 175.839 174.700 0.024 0.000 0.997 355 T CA -0.066 62.080 62.100 0.077 0.000 0.982 355 T CB 1.293 70.182 68.868 0.035 0.000 1.027 355 T HN 0.203 nan 8.240 nan 0.000 0.529 356 S N -1.797 113.921 115.700 0.029 0.000 2.601 356 S HA 0.231 4.702 4.470 0.001 0.000 0.244 356 S C -0.300 174.308 174.600 0.013 0.000 1.001 356 S CA -0.734 57.493 58.200 0.045 0.000 0.984 356 S CB -0.594 62.710 63.200 0.174 0.000 0.842 356 S HN 0.785 nan 8.310 nan 0.000 0.474 357 D N 2.368 122.730 120.400 -0.064 0.000 2.345 357 D HA 0.319 4.960 4.640 0.001 0.000 0.247 357 D C -1.623 174.537 176.300 -0.232 0.000 1.108 357 D CA -1.916 52.029 54.000 -0.091 0.000 0.894 357 D CB 1.291 42.050 40.800 -0.068 0.000 1.203 357 D HN -0.001 nan 8.370 nan 0.000 0.430 358 P HA -0.091 nan 4.420 nan 0.000 0.221 358 P C 0.541 177.707 177.300 -0.223 0.000 1.150 358 P CA 0.532 63.197 63.100 -0.725 0.000 0.800 358 P CB 0.390 31.800 31.700 -0.482 0.000 0.787 359 V N -2.113 117.760 119.914 -0.068 0.000 2.950 359 V HA 0.046 4.166 4.120 0.001 0.000 0.231 359 V C 0.837 176.945 176.094 0.023 0.000 1.205 359 V CA 0.123 62.444 62.300 0.035 0.000 1.239 359 V CB -0.496 31.333 31.823 0.011 0.000 1.050 359 V HN -0.301 nan 8.190 nan 0.000 0.498 360 V N 2.810 122.707 119.914 -0.029 0.000 2.555 360 V HA 0.287 4.408 4.120 0.001 0.000 0.299 360 V C 1.507 177.566 176.094 -0.058 0.000 1.012 360 V CA 1.545 63.808 62.300 -0.061 0.000 1.180 360 V CB -0.628 31.160 31.823 -0.059 0.000 0.887 360 V HN 0.881 nan 8.190 nan 0.000 0.476 361 G N 3.844 112.554 108.800 -0.150 0.000 2.153 361 G HA2 -0.352 3.608 3.960 0.001 0.000 0.252 361 G HA3 -0.352 3.608 3.960 0.001 0.000 0.252 361 G C 0.264 175.251 174.900 0.146 0.000 0.994 361 G CA 0.830 45.853 45.100 -0.129 0.000 0.698 361 G HN 0.965 nan 8.290 nan 0.000 0.521 362 Y N -0.219 120.048 120.300 -0.054 0.000 2.784 362 Y HA 0.255 4.805 4.550 0.001 0.000 0.267 362 Y C 2.301 178.294 175.900 0.156 0.000 1.117 362 Y CA 1.953 60.062 58.100 0.015 0.000 1.231 362 Y CB 0.460 38.836 38.460 -0.139 0.000 1.441 362 Y HN 0.510 nan 8.280 nan 0.000 0.469 363 T N -2.949 111.632 114.554 0.045 0.000 3.087 363 T HA 0.136 4.486 4.350 0.001 0.000 0.283 363 T C 0.582 175.293 174.700 0.018 0.000 0.956 363 T CA 0.365 62.472 62.100 0.012 0.000 0.894 363 T CB -0.075 68.803 68.868 0.015 0.000 1.160 363 T HN 0.324 nan 8.240 nan 0.000 0.532 364 D N 0.130 120.492 120.400 -0.064 0.000 2.340 364 D HA -0.005 4.636 4.640 0.001 0.000 0.220 364 D C -0.213 176.017 176.300 -0.117 0.000 1.039 364 D CA -0.398 53.548 54.000 -0.090 0.000 0.866 364 D CB -0.626 40.099 40.800 -0.124 0.000 0.913 364 D HN 0.385 nan 8.370 nan 0.000 0.523 365 Y N 2.629 122.926 120.300 -0.006 0.000 2.569 365 Y HA 0.206 4.756 4.550 0.001 0.000 0.332 365 Y C -1.592 174.251 175.900 -0.095 0.000 1.120 365 Y CA -1.856 56.225 58.100 -0.032 0.000 1.416 365 Y CB 0.198 38.639 38.460 -0.032 0.000 1.210 365 Y HN 0.002 nan 8.280 nan 0.000 0.528 366 P HA 0.139 nan 4.420 nan 0.000 0.278 366 P C -0.851 176.452 177.300 0.005 0.000 1.238 366 P CA -0.223 62.925 63.100 0.080 0.000 0.794 366 P CB 0.903 32.664 31.700 0.101 0.000 0.955 367 F N 0.494 120.456 119.950 0.021 0.000 2.378 367 F HA 0.165 4.692 4.527 0.001 0.000 0.319 367 F C 2.189 177.979 175.800 -0.017 0.000 1.155 367 F CA -0.346 57.649 58.000 -0.008 0.000 1.157 367 F CB -0.321 38.669 39.000 -0.016 0.000 1.252 367 F HN 0.222 nan 8.300 nan 0.000 0.550 368 L N -0.141 121.172 121.223 0.149 0.000 1.925 368 L HA -0.165 4.175 4.340 0.001 0.000 0.232 368 L C 0.728 177.640 176.870 0.070 0.000 1.089 368 L CA 1.670 56.548 54.840 0.064 0.000 0.806 368 L CB -0.155 41.917 42.059 0.021 0.000 0.899 368 L HN 0.567 nan 8.230 nan 0.000 0.435 369 E N 0.000 120.233 120.200 0.054 0.000 2.725 369 E HA 0.000 4.350 4.350 0.001 0.000 0.291 369 E CA 0.000 56.416 56.400 0.027 0.000 0.976 369 E CB 0.000 29.707 29.700 0.011 0.000 0.812 369 E HN 0.000 nan 8.360 nan 0.000 0.440