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 3led_1_B DATA FIRST_RESID -3 DATA SEQUENCE YFQGVRPAVI AATGLYTPPD SVSNAELVEA FNTYVANFNA ANKARIEAGE DATA SEQUENCE IEPLQPSSSE FIEKASGIKS RYVVAKPGIV DPDVXRPIIP ERSNDELSIL DATA SEQUENCE AEXAVTAAEQ AIERWGKPRE RIGAVLCACS NXQRAYPAXA IEVQNALGLG DATA SEQUENCE GFAFDXNVAC SSATFGLKTA ADFVGGGSVD AVLXVNPEIC SGHLNFRDRD DATA SEQUENCE SHFIFGDVAT AAIVERADDA QGGWSILGTK LKTQFSNNIR NNAGFLNRAW DATA SEQUENCE PEGRDKADKL FVQQGRKVFK EVVPLVSEXI IEHAREIGID PHGLKRXWLH DATA SEQUENCE QANINXNEII GRKVLGRDPT RDENVIILDD YANTSSAGSI IAFHKHQDDX DATA SEQUENCE AQGDLGLICS FGAGYSAGTV FVQKR 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 -3 Y HA 0.000 nan 4.550 nan 0.000 0.201 -3 Y C 0.000 175.575 175.900 -0.542 0.000 1.272 -3 Y CA 0.000 57.906 58.100 -0.324 0.000 1.940 -3 Y CB 0.000 38.381 38.460 -0.131 0.000 1.050 -2 F N 1.874 121.881 119.950 0.094 0.000 2.495 -2 F HA 0.467 5.003 4.527 0.015 0.000 0.327 -2 F C 0.048 175.906 175.800 0.097 0.000 1.103 -2 F CA -0.899 57.145 58.000 0.072 0.000 0.949 -2 F CB 1.866 40.878 39.000 0.019 0.000 1.142 -2 F HN 0.351 nan 8.300 nan 0.000 0.457 -1 Q N 2.093 122.045 119.800 0.252 0.000 2.286 -1 Q HA 0.532 4.894 4.340 0.037 0.000 0.257 -1 Q C -0.185 175.916 176.000 0.169 0.000 0.941 -1 Q CA -0.494 55.417 55.803 0.180 0.000 0.912 -1 Q CB 1.349 30.165 28.738 0.130 0.000 1.192 -1 Q HN 0.909 nan 8.270 nan 0.000 0.410 0 G N 2.160 111.041 108.800 0.135 0.000 2.400 0 G HA2 0.390 4.372 3.960 0.037 0.000 0.301 0 G HA3 0.390 4.372 3.960 0.037 0.000 0.301 0 G C -0.638 174.314 174.900 0.086 0.000 1.154 0 G CA -0.659 44.501 45.100 0.100 0.000 0.852 0 G HN 0.582 nan 8.290 nan 0.000 0.511 1 V N 2.348 122.304 119.914 0.071 0.000 2.479 1 V HA 0.105 4.247 4.120 0.037 0.000 0.281 1 V C 0.736 176.870 176.094 0.068 0.000 1.031 1 V CA 0.030 62.372 62.300 0.070 0.000 1.038 1 V CB 0.182 32.041 31.823 0.059 0.000 0.981 1 V HN 0.635 nan 8.190 nan 0.000 0.478 2 R N 6.003 126.548 120.500 0.076 0.000 2.234 2 R HA 0.363 4.725 4.340 0.037 0.000 0.324 2 R C -2.498 173.846 176.300 0.072 0.000 1.054 2 R CA -1.616 54.529 56.100 0.074 0.000 0.912 2 R CB 0.577 30.925 30.300 0.080 0.000 1.030 2 R HN 0.459 nan 8.270 nan 0.000 0.455 3 P HA 0.024 nan 4.420 nan 0.000 0.270 3 P C -0.949 176.395 177.300 0.073 0.000 1.223 3 P CA -0.014 63.126 63.100 0.066 0.000 0.785 3 P CB 0.864 32.601 31.700 0.062 0.000 0.923 4 A N 1.447 124.311 122.820 0.073 0.000 2.350 4 A HA 0.733 5.074 4.320 0.037 0.000 0.318 4 A C -1.153 176.481 177.584 0.084 0.000 1.132 4 A CA -0.603 51.479 52.037 0.074 0.000 0.811 4 A CB 1.220 20.255 19.000 0.059 0.000 1.313 4 A HN 0.323 nan 8.150 nan 0.000 0.454 5 V N 1.540 121.506 119.914 0.088 0.000 2.686 5 V HA 0.308 4.450 4.120 0.037 0.000 0.306 5 V C -0.535 175.621 176.094 0.104 0.000 1.065 5 V CA -0.247 62.122 62.300 0.116 0.000 0.894 5 V CB 1.836 33.734 31.823 0.125 0.000 1.004 5 V HN 0.746 nan 8.190 nan 0.000 0.424 6 I N 3.956 124.614 120.570 0.147 0.000 2.389 6 I HA 0.198 4.390 4.170 0.037 0.000 0.295 6 I C 1.412 177.646 176.117 0.195 0.000 1.117 6 I CA 0.190 61.567 61.300 0.128 0.000 1.317 6 I CB 1.091 39.169 38.000 0.130 0.000 1.431 6 I HN 0.811 nan 8.210 nan 0.000 0.521 7 A N 5.537 128.409 122.820 0.087 0.000 2.021 7 A HA 0.563 4.905 4.320 0.037 0.000 0.216 7 A C 1.022 178.687 177.584 0.136 0.000 1.163 7 A CA 0.965 53.079 52.037 0.128 0.000 0.676 7 A CB 0.142 19.202 19.000 0.100 0.000 0.818 7 A HN 0.756 nan 8.150 nan 0.000 0.453 8 A N -1.775 121.071 122.820 0.043 0.000 2.597 8 A HA 0.614 4.956 4.320 0.037 0.000 0.292 8 A C -0.406 177.205 177.584 0.044 0.000 1.057 8 A CA 0.151 52.229 52.037 0.069 0.000 0.674 8 A CB 0.284 19.328 19.000 0.073 0.000 1.278 8 A HN 0.849 nan 8.150 nan 0.000 0.416 9 T N -1.293 113.316 114.554 0.092 0.000 2.906 9 T HA 0.891 5.263 4.350 0.037 0.000 0.295 9 T C 0.005 174.780 174.700 0.126 0.000 1.075 9 T CA -0.192 61.974 62.100 0.110 0.000 1.005 9 T CB 1.836 70.825 68.868 0.202 0.000 1.136 9 T HN 2.079 nan 8.240 nan 0.000 0.498 10 G N 0.061 108.816 108.800 -0.074 0.000 2.619 10 G HA2 0.690 4.672 3.960 0.037 0.000 0.296 10 G HA3 0.690 4.672 3.960 0.037 0.000 0.296 10 G C -2.094 172.529 174.900 -0.462 0.000 1.334 10 G CA -0.913 44.074 45.100 -0.189 0.000 0.934 10 G HN 0.941 nan 8.290 nan 0.000 0.476 11 L N 0.406 121.366 121.223 -0.438 0.000 2.464 11 L HA 0.729 5.091 4.340 0.037 0.000 0.266 11 L C -2.051 174.749 176.870 -0.117 0.000 0.965 11 L CA -1.074 53.535 54.840 -0.384 0.000 0.833 11 L CB 2.070 43.767 42.059 -0.603 0.000 1.296 11 L HN 0.613 nan 8.230 nan 0.000 0.405 12 Y N 3.286 123.484 120.300 -0.170 0.000 2.328 12 Y HA 0.740 5.311 4.550 0.036 0.000 0.336 12 Y C -0.888 174.947 175.900 -0.108 0.000 0.960 12 Y CA -0.433 57.597 58.100 -0.117 0.000 1.134 12 Y CB 1.785 40.189 38.460 -0.093 0.000 1.166 12 Y HN 0.674 nan 8.280 nan 0.000 0.464 13 T N 9.243 123.257 114.554 -0.900 0.000 2.770 13 T HA 0.378 4.750 4.350 0.037 0.000 0.283 13 T C -2.701 171.324 174.700 -1.126 0.000 0.988 13 T CA -1.455 60.139 62.100 -0.843 0.000 0.957 13 T CB 1.206 69.668 68.868 -0.678 0.000 0.930 13 T HN 0.448 nan 8.240 nan 0.000 0.443 14 P HA 0.120 nan 4.420 nan 0.000 0.267 14 P C -1.634 175.522 177.300 -0.239 0.000 1.200 14 P CA -1.237 61.623 63.100 -0.400 0.000 0.772 14 P CB 0.285 31.947 31.700 -0.064 0.000 0.855 15 P HA -0.045 nan 4.420 nan 0.000 0.225 15 P C -0.267 177.062 177.300 0.047 0.000 1.156 15 P CA 1.345 64.430 63.100 -0.026 0.000 0.787 15 P CB 0.391 32.097 31.700 0.010 0.000 0.802 16 D N -0.069 120.373 120.400 0.070 0.000 2.163 16 D HA 0.348 5.010 4.640 0.037 0.000 0.248 16 D C -0.041 176.310 176.300 0.084 0.000 1.035 16 D CA -0.028 54.009 54.000 0.062 0.000 0.872 16 D CB 1.629 42.449 40.800 0.033 0.000 1.183 16 D HN -0.096 nan 8.370 nan 0.000 0.445 17 S N 0.271 115.970 115.700 -0.002 0.000 2.566 17 S HA 0.554 5.046 4.470 0.037 0.000 0.298 17 S C -0.450 174.086 174.600 -0.106 0.000 1.083 17 S CA -0.752 57.365 58.200 -0.138 0.000 0.978 17 S CB 2.023 65.061 63.200 -0.269 0.000 1.073 17 S HN 0.165 nan 8.310 nan 0.000 0.491 18 V N 3.022 122.861 119.914 -0.124 0.000 2.350 18 V HA 0.412 4.554 4.120 0.037 0.000 0.285 18 V C 0.378 176.419 176.094 -0.089 0.000 1.014 18 V CA -0.744 61.512 62.300 -0.074 0.000 0.831 18 V CB 1.187 32.989 31.823 -0.036 0.000 1.000 18 V HN 1.011 nan 8.190 nan 0.000 0.433 19 S N 3.819 119.474 115.700 -0.074 0.000 2.600 19 S HA 0.171 4.663 4.470 0.037 0.000 0.265 19 S C 1.093 175.672 174.600 -0.036 0.000 1.325 19 S CA -0.368 57.788 58.200 -0.073 0.000 1.002 19 S CB 0.626 63.793 63.200 -0.056 0.000 0.921 19 S HN 0.618 nan 8.310 nan 0.000 0.554 20 N N 1.538 120.214 118.700 -0.041 0.000 2.094 20 N HA -0.122 4.640 4.740 0.037 0.000 0.191 20 N C 2.003 177.526 175.510 0.022 0.000 1.023 20 N CA 1.762 54.800 53.050 -0.020 0.000 0.857 20 N CB -1.325 37.132 38.487 -0.049 0.000 1.013 20 N HN 0.824 nan 8.380 nan 0.000 0.426 21 A N 1.166 123.994 122.820 0.013 0.000 1.883 21 A HA -0.179 4.163 4.320 0.037 0.000 0.217 21 A C 2.115 179.731 177.584 0.054 0.000 1.186 21 A CA 1.623 53.680 52.037 0.034 0.000 0.624 21 A CB -0.566 18.444 19.000 0.017 0.000 0.822 21 A HN 0.385 nan 8.150 nan 0.000 0.444 22 E N -0.880 119.342 120.200 0.038 0.000 2.072 22 E HA -0.164 4.208 4.350 0.037 0.000 0.191 22 E C 1.965 178.618 176.600 0.088 0.000 0.985 22 E CA 1.122 57.550 56.400 0.047 0.000 0.801 22 E CB -0.247 29.464 29.700 0.017 0.000 0.750 22 E HN 0.510 nan 8.360 nan 0.000 0.452 23 L N 0.617 121.900 121.223 0.101 0.000 2.017 23 L HA -0.172 4.190 4.340 0.037 0.000 0.208 23 L C 2.239 179.286 176.870 0.296 0.000 1.073 23 L CA 1.377 56.326 54.840 0.182 0.000 0.745 23 L CB -0.231 41.917 42.059 0.148 0.000 0.894 23 L HN -0.044 nan 8.230 nan 0.000 0.432 24 V N -0.316 119.752 119.914 0.257 0.000 2.427 24 V HA -0.268 3.874 4.120 0.037 0.000 0.248 24 V C 2.525 178.781 176.094 0.269 0.000 1.051 24 V CA 1.834 64.322 62.300 0.313 0.000 1.048 24 V CB -0.593 31.361 31.823 0.217 0.000 0.666 24 V HN 0.615 nan 8.190 nan 0.000 0.456 25 E N 0.532 120.840 120.200 0.180 0.000 2.051 25 E HA -0.235 4.137 4.350 0.037 0.000 0.192 25 E C 2.203 178.894 176.600 0.152 0.000 0.991 25 E CA 1.534 58.016 56.400 0.138 0.000 0.799 25 E CB -0.217 29.538 29.700 0.091 0.000 0.748 25 E HN 0.558 nan 8.360 nan 0.000 0.449 26 A N 0.420 123.342 122.820 0.171 0.000 1.897 26 A HA -0.123 4.219 4.320 0.037 0.000 0.215 26 A C 1.999 179.716 177.584 0.221 0.000 1.181 26 A CA 1.081 53.214 52.037 0.161 0.000 0.620 26 A CB -0.853 18.224 19.000 0.130 0.000 0.821 26 A HN 0.507 nan 8.150 nan 0.000 0.443 27 F N 1.545 121.588 119.950 0.156 0.000 2.134 27 F HA -0.207 4.342 4.527 0.037 0.000 0.299 27 F C 1.927 177.822 175.800 0.158 0.000 1.097 27 F CA 2.083 60.178 58.000 0.158 0.000 1.264 27 F CB -0.156 38.892 39.000 0.081 0.000 1.001 27 F HN 0.210 nan 8.300 nan 0.000 0.479 28 N N -0.400 118.430 118.700 0.217 0.000 2.270 28 N HA -0.108 4.654 4.740 0.037 0.000 0.181 28 N C 1.781 177.291 175.510 0.001 0.000 1.016 28 N CA 1.729 54.831 53.050 0.087 0.000 0.870 28 N CB -0.837 37.740 38.487 0.150 0.000 0.979 28 N HN 0.279 nan 8.380 nan 0.000 0.431 29 T N 0.233 114.813 114.554 0.044 0.000 2.777 29 T HA -0.141 4.231 4.350 0.037 0.000 0.266 29 T C 1.680 176.379 174.700 -0.002 0.000 1.040 29 T CA 0.833 62.948 62.100 0.025 0.000 1.141 29 T CB -0.427 68.474 68.868 0.055 0.000 0.868 29 T HN 0.310 nan 8.240 nan 0.000 0.444 30 Y N 2.196 122.432 120.300 -0.106 0.000 2.128 30 Y HA -0.192 4.380 4.550 0.037 0.000 0.284 30 Y C 2.230 178.031 175.900 -0.165 0.000 1.154 30 Y CA 0.853 58.870 58.100 -0.138 0.000 1.149 30 Y CB -0.833 37.504 38.460 -0.205 0.000 0.976 30 Y HN -0.030 nan 8.280 nan 0.000 0.505 31 V N 0.818 120.402 119.914 -0.551 0.000 2.287 31 V HA -0.375 3.767 4.120 0.037 0.000 0.248 31 V C 2.753 178.683 176.094 -0.273 0.000 1.053 31 V CA 2.115 64.101 62.300 -0.524 0.000 1.027 31 V CB -1.670 29.925 31.823 -0.380 0.000 0.646 31 V HN 0.620 nan 8.190 nan 0.000 0.447 32 A N -0.000 122.717 122.820 -0.171 0.000 1.902 32 A HA -0.304 4.038 4.320 0.037 0.000 0.217 32 A C 2.061 179.586 177.584 -0.100 0.000 1.181 32 A CA 2.399 54.377 52.037 -0.097 0.000 0.623 32 A CB -0.921 18.045 19.000 -0.057 0.000 0.818 32 A HN 0.665 nan 8.150 nan 0.000 0.443 33 N N -1.502 117.130 118.700 -0.115 0.000 2.084 33 N HA -0.171 4.591 4.740 0.037 0.000 0.190 33 N C 1.489 176.926 175.510 -0.121 0.000 1.030 33 N CA 1.797 54.791 53.050 -0.092 0.000 0.849 33 N CB -0.334 38.124 38.487 -0.048 0.000 1.012 33 N HN 0.445 nan 8.380 nan 0.000 0.423 34 F N 1.075 120.795 119.950 -0.383 0.000 2.102 34 F HA -0.091 4.458 4.527 0.037 0.000 0.298 34 F C 1.968 177.631 175.800 -0.229 0.000 1.105 34 F CA 1.260 59.039 58.000 -0.368 0.000 1.239 34 F CB -0.316 38.275 39.000 -0.681 0.000 0.991 34 F HN 0.096 nan 8.300 nan 0.000 0.474 35 N N 0.827 119.532 118.700 0.009 0.000 2.166 35 N HA -0.147 4.615 4.740 0.037 0.000 0.186 35 N C 1.931 177.367 175.510 -0.124 0.000 1.019 35 N CA 1.420 54.455 53.050 -0.026 0.000 0.856 35 N CB -0.773 37.720 38.487 0.011 0.000 0.993 35 N HN 0.452 nan 8.380 nan 0.000 0.426 36 A N 0.803 123.551 122.820 -0.120 0.000 1.872 36 A HA 0.144 4.486 4.320 0.037 0.000 0.214 36 A C 2.321 179.816 177.584 -0.148 0.000 1.187 36 A CA 1.648 53.619 52.037 -0.109 0.000 0.614 36 A CB -0.813 18.138 19.000 -0.081 0.000 0.826 36 A HN 0.282 nan 8.150 nan 0.000 0.442 37 A N -0.112 122.589 122.820 -0.198 0.000 1.972 37 A HA -0.125 4.217 4.320 0.037 0.000 0.219 37 A C 1.550 178.975 177.584 -0.266 0.000 1.169 37 A CA 1.450 53.359 52.037 -0.213 0.000 0.635 37 A CB -0.394 18.473 19.000 -0.223 0.000 0.810 37 A HN 0.550 nan 8.150 nan 0.000 0.446 38 N N -0.304 118.164 118.700 -0.386 0.000 2.273 38 N HA 0.019 4.781 4.740 0.037 0.000 0.231 38 N C 0.998 176.379 175.510 -0.215 0.000 1.134 38 N CA 0.479 53.305 53.050 -0.372 0.000 0.856 38 N CB 0.379 38.460 38.487 -0.677 0.000 1.068 38 N HN 0.763 nan 8.380 nan 0.000 0.510 39 K N 0.292 120.597 120.400 -0.158 0.000 2.103 39 K HA -0.046 4.296 4.320 0.037 0.000 0.207 39 K C 1.832 178.389 176.600 -0.072 0.000 1.048 39 K CA 1.350 57.579 56.287 -0.096 0.000 0.930 39 K CB -0.058 32.397 32.500 -0.076 0.000 0.716 39 K HN -0.036 nan 8.250 nan 0.000 0.444 40 A N 1.885 124.661 122.820 -0.074 0.000 1.897 40 A HA -0.048 4.294 4.320 0.037 0.000 0.215 40 A C 2.172 179.729 177.584 -0.045 0.000 1.181 40 A CA 1.006 53.012 52.037 -0.052 0.000 0.620 40 A CB -0.369 18.603 19.000 -0.048 0.000 0.821 40 A HN 0.324 nan 8.150 nan 0.000 0.443 41 R N -0.505 119.960 120.500 -0.058 0.000 2.092 41 R HA -0.003 4.359 4.340 0.037 0.000 0.231 41 R C 1.919 178.206 176.300 -0.021 0.000 1.119 41 R CA 1.472 57.548 56.100 -0.039 0.000 0.970 41 R CB -0.442 29.828 30.300 -0.050 0.000 0.864 41 R HN 0.559 nan 8.270 nan 0.000 0.440 42 I N 0.815 121.367 120.570 -0.029 0.000 2.179 42 I HA -0.235 3.957 4.170 0.037 0.000 0.242 42 I C 2.070 178.185 176.117 -0.004 0.000 1.088 42 I CA 1.189 62.487 61.300 -0.003 0.000 1.357 42 I CB -0.174 37.823 38.000 -0.004 0.000 1.051 42 I HN 0.091 nan 8.210 nan 0.000 0.409 43 E N 0.874 121.065 120.200 -0.015 0.000 2.204 43 E HA -0.128 4.244 4.350 0.037 0.000 0.194 43 E C 2.186 178.782 176.600 -0.008 0.000 0.989 43 E CA 1.173 57.566 56.400 -0.011 0.000 0.824 43 E CB -0.258 29.432 29.700 -0.017 0.000 0.756 43 E HN 0.481 nan 8.360 nan 0.000 0.477 44 A N 0.094 122.909 122.820 -0.009 0.000 2.168 44 A HA 0.158 4.500 4.320 0.037 0.000 0.215 44 A C 1.787 179.372 177.584 0.001 0.000 1.152 44 A CA 1.309 53.343 52.037 -0.005 0.000 0.716 44 A CB -0.333 18.663 19.000 -0.007 0.000 0.794 44 A HN 0.295 nan 8.150 nan 0.000 0.465 45 G N -0.938 107.865 108.800 0.005 0.000 2.141 45 G HA2 -0.275 3.706 3.960 0.037 0.000 0.242 45 G HA3 -0.275 3.706 3.960 0.037 0.000 0.242 45 G C 0.565 175.476 174.900 0.018 0.000 0.982 45 G CA 0.649 45.756 45.100 0.012 0.000 0.662 45 G HN 0.588 nan 8.290 nan 0.000 0.527 46 E N -0.437 119.773 120.200 0.018 0.000 2.072 46 E HA 0.096 4.468 4.350 0.037 0.000 0.191 46 E C 1.499 178.124 176.600 0.041 0.000 0.985 46 E CA 1.350 57.765 56.400 0.025 0.000 0.801 46 E CB 0.047 29.758 29.700 0.019 0.000 0.750 46 E HN 0.910 nan 8.360 nan 0.000 0.452 47 I N -2.003 118.598 120.570 0.053 0.000 2.969 47 I HA 0.380 4.572 4.170 0.037 0.000 0.307 47 I C -0.569 175.596 176.117 0.080 0.000 1.149 47 I CA -1.176 60.173 61.300 0.081 0.000 1.008 47 I CB 2.175 40.259 38.000 0.140 0.000 1.232 47 I HN -0.286 nan 8.210 nan 0.000 0.435 48 E N 3.478 123.725 120.200 0.078 0.000 2.366 48 E HA 0.314 4.686 4.350 0.037 0.000 0.266 48 E C -2.266 174.391 176.600 0.094 0.000 1.051 48 E CA -1.618 54.820 56.400 0.063 0.000 0.884 48 E CB 0.550 30.274 29.700 0.041 0.000 1.006 48 E HN 0.450 nan 8.360 nan 0.000 0.417 49 P HA 0.014 nan 4.420 nan 0.000 0.269 49 P C -0.401 176.926 177.300 0.044 0.000 1.215 49 P CA 0.163 63.315 63.100 0.087 0.000 0.780 49 P CB 0.603 32.329 31.700 0.044 0.000 0.898 50 L N 1.537 122.770 121.223 0.017 0.000 2.418 50 L HA 0.254 4.616 4.340 0.037 0.000 0.265 50 L C 0.994 177.846 176.870 -0.030 0.000 1.143 50 L CA -0.301 54.500 54.840 -0.065 0.000 0.809 50 L CB 0.052 41.969 42.059 -0.236 0.000 1.124 50 L HN 0.360 nan 8.230 nan 0.000 0.456 51 Q N 2.259 122.062 119.800 0.005 0.000 2.345 51 Q HA 0.436 4.798 4.340 0.037 0.000 0.268 51 Q C -2.365 173.694 176.000 0.097 0.000 1.054 51 Q CA -1.927 53.887 55.803 0.018 0.000 0.835 51 Q CB 1.963 30.695 28.738 -0.010 0.000 1.339 51 Q HN 0.361 nan 8.270 nan 0.000 0.447 52 P HA -0.007 nan 4.420 nan 0.000 0.272 52 P C -0.590 176.813 177.300 0.170 0.000 1.230 52 P CA -0.070 63.138 63.100 0.180 0.000 0.788 52 P CB 1.209 32.966 31.700 0.096 0.000 0.949 53 S N 0.152 116.016 115.700 0.272 0.000 2.758 53 S HA 0.699 5.191 4.470 0.037 0.000 0.292 53 S C -0.444 174.258 174.600 0.170 0.000 1.131 53 S CA -0.264 58.016 58.200 0.133 0.000 0.997 53 S CB 0.359 63.587 63.200 0.047 0.000 1.111 53 S HN 0.696 nan 8.310 nan 0.000 0.552 54 S N 0.107 115.935 115.700 0.214 0.000 2.547 54 S HA 0.426 4.918 4.470 0.037 0.000 0.270 54 S C 0.379 175.054 174.600 0.125 0.000 1.150 54 S CA -0.564 57.729 58.200 0.155 0.000 0.850 54 S CB 1.054 64.320 63.200 0.110 0.000 1.118 54 S HN 0.476 nan 8.310 nan 0.000 0.461 55 S N 0.877 116.614 115.700 0.061 0.000 2.382 55 S HA -0.117 4.375 4.470 0.037 0.000 0.228 55 S C 1.623 176.196 174.600 -0.045 0.000 1.027 55 S CA 1.493 59.688 58.200 -0.009 0.000 0.991 55 S CB -0.528 62.668 63.200 -0.007 0.000 0.823 55 S HN 0.840 nan 8.310 nan 0.000 0.469 56 E N 0.387 120.587 120.200 0.000 0.000 2.085 56 E HA -0.209 4.163 4.350 0.037 0.000 0.194 56 E C 1.867 178.456 176.600 -0.018 0.000 0.994 56 E CA 1.211 57.605 56.400 -0.009 0.000 0.801 56 E CB -0.210 29.502 29.700 0.021 0.000 0.743 56 E HN 0.536 nan 8.360 nan 0.000 0.453 57 F N 1.402 121.277 119.950 -0.124 0.000 2.095 57 F HA -0.184 4.365 4.527 0.037 0.000 0.298 57 F C 1.901 177.508 175.800 -0.322 0.000 1.104 57 F CA 1.580 59.478 58.000 -0.169 0.000 1.232 57 F CB -0.362 38.561 39.000 -0.128 0.000 0.987 57 F HN -0.002 nan 8.300 nan 0.000 0.475 58 I N 0.343 120.493 120.570 -0.700 0.000 2.179 58 I HA -0.268 3.924 4.170 0.037 0.000 0.242 58 I C 2.549 178.244 176.117 -0.703 0.000 1.088 58 I CA 1.915 62.533 61.300 -1.137 0.000 1.357 58 I CB -0.662 36.877 38.000 -0.769 0.000 1.051 58 I HN 0.241 nan 8.210 nan 0.000 0.409 59 E N 1.076 121.049 120.200 -0.379 0.000 2.106 59 E HA -0.222 4.150 4.350 0.037 0.000 0.192 59 E C 2.148 178.625 176.600 -0.204 0.000 0.984 59 E CA 1.114 57.374 56.400 -0.232 0.000 0.806 59 E CB 0.163 29.780 29.700 -0.139 0.000 0.750 59 E HN 0.356 nan 8.360 nan 0.000 0.458 60 K N -0.211 120.063 120.400 -0.210 0.000 2.097 60 K HA -0.063 4.279 4.320 0.037 0.000 0.205 60 K C 2.051 178.547 176.600 -0.174 0.000 1.050 60 K CA 0.909 57.109 56.287 -0.146 0.000 0.938 60 K CB -0.014 32.431 32.500 -0.092 0.000 0.718 60 K HN 0.070 nan 8.250 nan 0.000 0.442 61 A N 0.830 123.448 122.820 -0.336 0.000 2.015 61 A HA -0.112 4.230 4.320 0.037 0.000 0.219 61 A C 1.905 179.414 177.584 -0.124 0.000 1.163 61 A CA 2.011 53.868 52.037 -0.300 0.000 0.646 61 A CB -0.080 18.528 19.000 -0.652 0.000 0.806 61 A HN 0.386 nan 8.150 nan 0.000 0.448 62 S N -5.260 110.353 115.700 -0.146 0.000 2.546 62 S HA 0.403 4.895 4.470 0.037 0.000 0.282 62 S C 1.375 175.966 174.600 -0.015 0.000 1.074 62 S CA 1.094 59.287 58.200 -0.012 0.000 1.254 62 S CB -0.205 63.040 63.200 0.076 0.000 1.103 62 S HN 1.975 nan 8.310 nan 0.000 0.589 63 G N 1.838 110.597 108.800 -0.068 0.000 2.179 63 G HA2 -0.232 3.749 3.960 0.037 0.000 0.260 63 G HA3 -0.232 3.749 3.960 0.037 0.000 0.260 63 G C 0.021 174.894 174.900 -0.045 0.000 0.977 63 G CA 0.309 45.381 45.100 -0.045 0.000 0.641 63 G HN 0.656 nan 8.290 nan 0.000 0.533 64 I N 0.321 120.858 120.570 -0.055 0.000 2.496 64 I HA 0.263 4.455 4.170 0.037 0.000 0.285 64 I C 1.366 177.437 176.117 -0.077 0.000 1.080 64 I CA 0.274 61.552 61.300 -0.037 0.000 1.404 64 I CB 1.215 39.226 38.000 0.019 0.000 1.403 64 I HN 0.053 nan 8.210 nan 0.000 0.539 65 K N 2.716 123.075 120.400 -0.069 0.000 2.425 65 K HA 0.247 4.588 4.320 0.037 0.000 0.201 65 K C 0.199 176.739 176.600 -0.099 0.000 1.128 65 K CA 0.108 56.346 56.287 -0.082 0.000 1.000 65 K CB 0.937 33.396 32.500 -0.069 0.000 0.961 65 K HN 0.596 nan 8.250 nan 0.000 0.555 66 S N 0.354 115.980 115.700 -0.124 0.000 2.611 66 S HA 0.463 4.955 4.470 0.037 0.000 0.268 66 S C -2.138 172.330 174.600 -0.220 0.000 1.156 66 S CA -0.940 57.146 58.200 -0.189 0.000 0.817 66 S CB 1.300 64.334 63.200 -0.275 0.000 1.122 66 S HN 0.235 nan 8.310 nan 0.000 0.466 67 R N 1.174 121.507 120.500 -0.277 0.000 2.680 67 R HA 0.430 4.792 4.340 0.037 0.000 0.269 67 R C -2.141 173.942 176.300 -0.363 0.000 1.026 67 R CA -0.605 55.339 56.100 -0.260 0.000 0.889 67 R CB -0.371 29.900 30.300 -0.048 0.000 1.241 67 R HN 0.615 nan 8.270 nan 0.000 0.463 68 Y N 0.469 120.697 120.300 -0.119 0.000 2.301 68 Y HA 0.506 5.078 4.550 0.037 0.000 0.325 68 Y C 0.920 176.795 175.900 -0.041 0.000 1.203 68 Y CA -0.315 57.715 58.100 -0.115 0.000 1.255 68 Y CB 1.697 40.045 38.460 -0.187 0.000 1.232 68 Y HN 0.505 nan 8.280 nan 0.000 0.501 69 V N 0.084 120.072 119.914 0.124 0.000 2.925 69 V HA 0.455 4.597 4.120 0.037 0.000 0.311 69 V C 0.134 176.275 176.094 0.078 0.000 1.104 69 V CA -0.841 61.510 62.300 0.085 0.000 0.954 69 V CB 1.176 33.022 31.823 0.038 0.000 1.022 69 V HN 0.735 nan 8.190 nan 0.000 0.427 70 V N -0.189 119.772 119.914 0.078 0.000 2.667 70 V HA 0.517 4.659 4.120 0.037 0.000 0.252 70 V C 0.991 177.116 176.094 0.052 0.000 1.065 70 V CA 1.381 63.729 62.300 0.081 0.000 1.083 70 V CB -0.365 31.511 31.823 0.087 0.000 0.692 70 V HN 2.002 nan 8.190 nan 0.000 0.468 71 A N -0.176 122.661 122.820 0.028 0.000 2.768 71 A HA 0.527 4.869 4.320 0.037 0.000 0.299 71 A C 0.791 178.359 177.584 -0.026 0.000 1.171 71 A CA -0.079 51.962 52.037 0.006 0.000 0.759 71 A CB 1.148 20.152 19.000 0.007 0.000 1.267 71 A HN 0.245 nan 8.150 nan 0.000 0.421 72 K N 2.106 122.491 120.400 -0.025 0.000 2.062 72 K HA 0.009 4.351 4.320 0.037 0.000 0.205 72 K C -1.044 175.516 176.600 -0.067 0.000 1.051 72 K CA 1.506 57.763 56.287 -0.050 0.000 0.941 72 K CB -0.402 32.081 32.500 -0.028 0.000 0.719 72 K HN 0.460 nan 8.250 nan 0.000 0.440 73 P HA -0.136 nan 4.420 nan 0.000 0.216 73 P C 1.110 178.375 177.300 -0.058 0.000 1.153 73 P CA 1.826 64.902 63.100 -0.040 0.000 0.858 73 P CB -0.250 31.437 31.700 -0.022 0.000 0.789 74 G N -0.771 107.985 108.800 -0.073 0.000 2.443 74 G HA2 -0.192 3.790 3.960 0.037 0.000 0.219 74 G HA3 -0.192 3.790 3.960 0.037 0.000 0.219 74 G C 1.457 176.264 174.900 -0.155 0.000 1.131 74 G CA 0.309 45.356 45.100 -0.087 0.000 0.775 74 G HN 0.252 nan 8.290 nan 0.000 0.547 75 I N 0.939 121.366 120.570 -0.238 0.000 2.546 75 I HA -0.073 4.119 4.170 0.037 0.000 0.255 75 I C 2.167 178.164 176.117 -0.199 0.000 1.163 75 I CA 0.651 61.709 61.300 -0.404 0.000 1.457 75 I CB 0.251 37.898 38.000 -0.589 0.000 1.092 75 I HN 0.167 nan 8.210 nan 0.000 0.434 76 V N -3.428 116.423 119.914 -0.105 0.000 3.376 76 V HA 0.247 4.389 4.120 0.037 0.000 0.313 76 V C 0.107 176.197 176.094 -0.006 0.000 1.393 76 V CA -0.286 61.996 62.300 -0.030 0.000 1.125 76 V CB -0.319 31.494 31.823 -0.017 0.000 1.037 76 V HN 0.116 nan 8.190 nan 0.000 0.440 77 D N 1.526 121.914 120.400 -0.020 0.000 2.392 77 D HA 0.417 5.079 4.640 0.037 0.000 0.228 77 D C -1.961 174.352 176.300 0.021 0.000 1.074 77 D CA -2.115 51.888 54.000 0.004 0.000 0.838 77 D CB 2.464 43.261 40.800 -0.006 0.000 1.067 77 D HN 0.087 nan 8.370 nan 0.000 0.511 78 P HA -0.022 nan 4.420 nan 0.000 0.225 78 P C 0.286 177.666 177.300 0.133 0.000 1.148 78 P CA 0.670 63.837 63.100 0.112 0.000 0.779 78 P CB 0.434 32.210 31.700 0.126 0.000 0.780 79 D N -1.390 119.060 120.400 0.083 0.000 2.339 79 D HA 0.082 4.744 4.640 0.037 0.000 0.217 79 D C 0.694 177.025 176.300 0.052 0.000 1.050 79 D CA 0.382 54.432 54.000 0.083 0.000 0.856 79 D CB 0.511 41.345 40.800 0.058 0.000 0.922 79 D HN 0.046 nan 8.370 nan 0.000 0.518 83 P HA 0.238 nan 4.420 nan 0.000 0.271 83 P C -0.711 176.587 177.300 -0.003 0.000 1.218 83 P CA -0.197 62.884 63.100 -0.031 0.000 0.780 83 P CB 0.477 32.193 31.700 0.026 0.000 0.901 84 I N 3.708 124.272 120.570 -0.010 0.000 2.354 84 I HA 0.366 4.558 4.170 0.037 0.000 0.286 84 I C -0.002 176.120 176.117 0.008 0.000 1.007 84 I CA -0.181 61.121 61.300 0.003 0.000 1.167 84 I CB 0.633 38.632 38.000 -0.003 0.000 1.320 84 I HN 0.117 nan 8.210 nan 0.000 0.458 85 I N 7.810 128.390 120.570 0.016 0.000 2.563 85 I HA 0.298 4.490 4.170 0.037 0.000 0.276 85 I C -2.174 173.952 176.117 0.015 0.000 1.074 85 I CA -1.559 59.751 61.300 0.017 0.000 1.124 85 I CB 1.062 39.077 38.000 0.024 0.000 1.225 85 I HN 0.339 nan 8.210 nan 0.000 0.482 86 P HA 0.117 nan 4.420 nan 0.000 0.267 86 P C -0.271 177.034 177.300 0.007 0.000 1.200 86 P CA -0.145 62.960 63.100 0.009 0.000 0.772 86 P CB 0.579 32.283 31.700 0.007 0.000 0.855 87 E N 1.751 121.955 120.200 0.007 0.000 2.398 87 E HA 0.128 4.500 4.350 0.037 0.000 0.263 87 E C 0.079 176.680 176.600 0.001 0.000 1.046 87 E CA -0.105 56.297 56.400 0.004 0.000 0.908 87 E CB 0.586 30.288 29.700 0.003 0.000 0.963 87 E HN 0.293 nan 8.360 nan 0.000 0.431 88 R N 0.941 121.439 120.500 -0.002 0.000 2.536 88 R HA 0.221 4.583 4.340 0.037 0.000 0.279 88 R C 0.075 176.373 176.300 -0.004 0.000 1.001 88 R CA -0.547 55.551 56.100 -0.004 0.000 1.027 88 R CB 1.342 31.638 30.300 -0.007 0.000 1.096 88 R HN 0.599 nan 8.270 nan 0.000 0.502 89 S N 1.110 116.808 115.700 -0.003 0.000 2.584 89 S HA 0.013 4.505 4.470 0.037 0.000 0.270 89 S C 0.772 175.370 174.600 -0.004 0.000 1.346 89 S CA -0.601 57.598 58.200 -0.002 0.000 1.018 89 S CB 0.687 63.887 63.200 -0.001 0.000 0.899 89 S HN 0.537 nan 8.310 nan 0.000 0.542 90 N N 1.574 120.273 118.700 -0.002 0.000 2.272 90 N HA -0.103 4.659 4.740 0.037 0.000 0.185 90 N C 0.855 176.364 175.510 -0.001 0.000 1.014 90 N CA 1.298 54.346 53.050 -0.002 0.000 0.870 90 N CB -0.559 37.929 38.487 0.002 0.000 0.975 90 N HN 0.661 nan 8.380 nan 0.000 0.433 91 D N 0.722 121.122 120.400 -0.001 0.000 2.310 91 D HA -0.035 4.627 4.640 0.037 0.000 0.212 91 D C 0.237 176.534 176.300 -0.004 0.000 0.965 91 D CA 0.715 54.714 54.000 -0.001 0.000 0.879 91 D CB 0.117 40.917 40.800 0.000 0.000 0.921 91 D HN 0.443 nan 8.370 nan 0.000 0.510 92 E N 0.245 120.441 120.200 -0.007 0.000 2.248 92 E HA 0.263 4.635 4.350 0.037 0.000 0.272 92 E C -0.358 176.233 176.600 -0.015 0.000 1.008 92 E CA -1.017 55.376 56.400 -0.011 0.000 0.856 92 E CB 1.812 31.505 29.700 -0.011 0.000 1.120 92 E HN -0.102 nan 8.360 nan 0.000 0.397 93 L N 2.530 123.740 121.223 -0.020 0.000 2.499 93 L HA -0.004 4.358 4.340 0.037 0.000 0.273 93 L C 0.113 176.965 176.870 -0.029 0.000 1.195 93 L CA 0.479 55.303 54.840 -0.027 0.000 0.882 93 L CB 0.332 42.369 42.059 -0.037 0.000 1.133 93 L HN 0.557 nan 8.230 nan 0.000 0.483 94 S N 4.649 120.333 115.700 -0.028 0.000 2.584 94 S HA 0.065 4.557 4.470 0.037 0.000 0.270 94 S C 1.417 175.996 174.600 -0.036 0.000 1.346 94 S CA 0.026 58.210 58.200 -0.027 0.000 1.018 94 S CB 0.359 63.544 63.200 -0.023 0.000 0.899 94 S HN 0.789 nan 8.310 nan 0.000 0.542 95 I N 0.863 121.416 120.570 -0.028 0.000 2.286 95 I HA -0.146 4.046 4.170 0.037 0.000 0.248 95 I C 2.092 178.185 176.117 -0.041 0.000 1.115 95 I CA 1.338 62.619 61.300 -0.032 0.000 1.392 95 I CB -0.182 37.812 38.000 -0.011 0.000 1.065 95 I HN 0.751 nan 8.210 nan 0.000 0.418 96 L N 1.002 122.208 121.223 -0.029 0.000 2.072 96 L HA -0.057 4.305 4.340 0.037 0.000 0.205 96 L C 2.531 179.371 176.870 -0.050 0.000 1.079 96 L CA 2.039 56.861 54.840 -0.030 0.000 0.752 96 L CB -0.729 41.319 42.059 -0.019 0.000 0.906 96 L HN 0.245 nan 8.230 nan 0.000 0.436 97 A N -1.027 121.763 122.820 -0.049 0.000 1.933 97 A HA -0.179 4.163 4.320 0.037 0.000 0.218 97 A C 1.550 179.083 177.584 -0.086 0.000 1.175 97 A CA 0.867 52.869 52.037 -0.058 0.000 0.628 97 A CB -0.623 18.351 19.000 -0.043 0.000 0.814 97 A HN 0.567 nan 8.150 nan 0.000 0.444 101 V N 1.245 121.095 119.914 -0.106 0.000 2.343 101 V HA -0.194 3.948 4.120 0.037 0.000 0.247 101 V C 2.651 178.689 176.094 -0.093 0.000 1.051 101 V CA 2.965 65.211 62.300 -0.090 0.000 1.036 101 V CB -0.931 30.841 31.823 -0.086 0.000 0.654 101 V HN 0.637 nan 8.190 nan 0.000 0.451 102 T N 0.403 114.871 114.554 -0.145 0.000 2.708 102 T HA -0.162 4.210 4.350 0.037 0.000 0.266 102 T C 2.061 176.736 174.700 -0.041 0.000 1.037 102 T CA 1.635 63.664 62.100 -0.117 0.000 1.146 102 T CB -0.451 68.266 68.868 -0.251 0.000 0.865 102 T HN 0.566 nan 8.240 nan 0.000 0.435 103 A N 1.415 124.214 122.820 -0.035 0.000 1.933 103 A HA 0.154 4.496 4.320 0.037 0.000 0.218 103 A C 2.627 180.180 177.584 -0.051 0.000 1.175 103 A CA 1.828 53.845 52.037 -0.032 0.000 0.628 103 A CB -1.052 17.920 19.000 -0.047 0.000 0.814 103 A HN 0.511 nan 8.150 nan 0.000 0.444 104 A N -0.543 122.243 122.820 -0.056 0.000 1.930 104 A HA -0.114 4.228 4.320 0.037 0.000 0.217 104 A C 1.930 179.501 177.584 -0.021 0.000 1.175 104 A CA 1.531 53.537 52.037 -0.052 0.000 0.627 104 A CB -0.382 18.582 19.000 -0.060 0.000 0.815 104 A HN 0.462 nan 8.150 nan 0.000 0.443 105 E N -0.365 119.827 120.200 -0.015 0.000 2.110 105 E HA -0.240 4.131 4.350 0.037 0.000 0.193 105 E C 2.124 178.740 176.600 0.027 0.000 0.988 105 E CA 1.374 57.779 56.400 0.009 0.000 0.804 105 E CB -0.327 29.373 29.700 -0.000 0.000 0.745 105 E HN 0.853 nan 8.360 nan 0.000 0.458 106 Q N 0.341 120.153 119.800 0.021 0.000 2.084 106 Q HA -0.132 4.230 4.340 0.037 0.000 0.202 106 Q C 2.089 178.125 176.000 0.060 0.000 0.978 106 Q CA 1.507 57.335 55.803 0.041 0.000 0.844 106 Q CB -0.062 28.697 28.738 0.036 0.000 0.898 106 Q HN 0.206 nan 8.270 nan 0.000 0.426 107 A N 0.813 123.655 122.820 0.037 0.000 1.902 107 A HA -0.175 4.167 4.320 0.037 0.000 0.217 107 A C 1.996 179.640 177.584 0.100 0.000 1.181 107 A CA 1.367 53.430 52.037 0.043 0.000 0.623 107 A CB -0.689 18.294 19.000 -0.029 0.000 0.818 107 A HN 0.485 nan 8.150 nan 0.000 0.443 108 I N -0.286 120.347 120.570 0.105 0.000 2.226 108 I HA -0.245 3.947 4.170 0.037 0.000 0.245 108 I C 2.670 178.921 176.117 0.222 0.000 1.100 108 I CA 1.679 63.111 61.300 0.219 0.000 1.374 108 I CB -0.280 37.815 38.000 0.157 0.000 1.057 108 I HN 0.516 nan 8.210 nan 0.000 0.413 109 E N 1.875 122.154 120.200 0.131 0.000 2.051 109 E HA -0.242 4.130 4.350 0.037 0.000 0.192 109 E C 2.269 178.935 176.600 0.109 0.000 0.991 109 E CA 1.452 57.910 56.400 0.096 0.000 0.799 109 E CB -0.090 29.648 29.700 0.063 0.000 0.748 109 E HN 0.438 nan 8.360 nan 0.000 0.449 110 R N -0.626 119.950 120.500 0.128 0.000 2.081 110 R HA -0.158 4.204 4.340 0.037 0.000 0.235 110 R C 2.223 178.641 176.300 0.197 0.000 1.131 110 R CA 1.641 57.818 56.100 0.128 0.000 0.960 110 R CB -0.598 29.772 30.300 0.116 0.000 0.856 110 R HN 0.283 nan 8.270 nan 0.000 0.436 111 W N 0.605 121.915 121.300 0.017 0.000 2.335 111 W HA -0.145 4.535 4.660 0.032 0.000 0.311 111 W C 1.425 177.950 176.519 0.011 0.000 1.213 111 W CA 2.194 59.550 57.345 0.018 0.000 1.274 111 W CB -0.484 28.986 29.460 0.018 0.000 1.148 111 W HN 0.393 nan 8.180 nan 0.000 0.498 112 G N -0.016 108.813 108.800 0.048 0.000 2.205 112 G HA2 -0.305 3.677 3.960 0.037 0.000 0.261 112 G HA3 -0.305 3.677 3.960 0.037 0.000 0.261 112 G C 0.641 175.359 174.900 -0.304 0.000 0.980 112 G CA 0.512 45.544 45.100 -0.113 0.000 0.632 112 G HN 0.369 nan 8.290 nan 0.000 0.533 113 K N 0.854 120.844 120.400 -0.684 0.000 2.098 113 K HA 0.483 4.825 4.320 0.037 0.000 0.257 113 K C -2.530 173.782 176.600 -0.481 0.000 0.999 113 K CA -1.869 53.919 56.287 -0.832 0.000 0.924 113 K CB 0.777 32.312 32.500 -1.609 0.000 1.028 113 K HN -0.030 nan 8.250 nan 0.000 0.466 114 P HA -0.015 nan 4.420 nan 0.000 0.267 114 P C 0.117 177.410 177.300 -0.012 0.000 1.205 114 P CA 0.054 63.084 63.100 -0.117 0.000 0.765 114 P CB 0.447 32.094 31.700 -0.088 0.000 0.828 115 R N 4.044 124.590 120.500 0.076 0.000 2.285 115 R HA -0.136 4.226 4.340 0.037 0.000 0.213 115 R C 1.204 177.582 176.300 0.130 0.000 1.068 115 R CA 1.191 57.396 56.100 0.174 0.000 1.004 115 R CB -0.567 29.811 30.300 0.129 0.000 0.873 115 R HN 0.513 nan 8.270 nan 0.000 0.467 116 E N 1.652 121.896 120.200 0.074 0.000 2.265 116 E HA -0.192 4.180 4.350 0.037 0.000 0.196 116 E C 1.404 178.053 176.600 0.082 0.000 0.996 116 E CA 0.693 57.128 56.400 0.058 0.000 0.832 116 E CB -0.203 29.515 29.700 0.030 0.000 0.756 116 E HN 0.476 nan 8.360 nan 0.000 0.491 117 R N 0.677 121.256 120.500 0.131 0.000 2.189 117 R HA 0.110 4.472 4.340 0.037 0.000 0.223 117 R C 0.803 177.216 176.300 0.189 0.000 1.092 117 R CA 0.412 56.618 56.100 0.177 0.000 0.989 117 R CB -0.285 30.159 30.300 0.241 0.000 0.876 117 R HN 0.224 nan 8.270 nan 0.000 0.457 118 I N 0.790 121.466 120.570 0.176 0.000 2.517 118 I HA -0.009 4.183 4.170 0.037 0.000 0.285 118 I C 1.355 177.462 176.117 -0.018 0.000 1.106 118 I CA 0.195 61.527 61.300 0.053 0.000 1.402 118 I CB 1.434 39.438 38.000 0.008 0.000 1.399 118 I HN 0.158 nan 8.210 nan 0.000 0.535 119 G N 4.930 113.688 108.800 -0.070 0.000 2.939 119 G HA2 0.545 4.527 3.960 0.037 0.000 0.216 119 G HA3 0.545 4.527 3.960 0.037 0.000 0.216 119 G C 0.269 174.926 174.900 -0.404 0.000 1.125 119 G CA 0.338 45.359 45.100 -0.132 0.000 0.766 119 G HN 0.686 nan 8.290 nan 0.000 0.541 120 A N -0.359 122.194 122.820 -0.444 0.000 2.549 120 A HA 0.696 5.037 4.320 0.037 0.000 0.297 120 A C -1.643 175.711 177.584 -0.383 0.000 1.061 120 A CA -0.398 51.192 52.037 -0.745 0.000 0.690 120 A CB 2.003 20.478 19.000 -0.875 0.000 1.287 120 A HN 0.330 nan 8.150 nan 0.000 0.402 121 V N 2.493 122.204 119.914 -0.339 0.000 2.487 121 V HA 0.463 4.605 4.120 0.037 0.000 0.298 121 V C -0.550 175.389 176.094 -0.259 0.000 1.028 121 V CA -0.278 61.888 62.300 -0.224 0.000 0.860 121 V CB 1.308 33.043 31.823 -0.147 0.000 0.991 121 V HN 0.723 nan 8.190 nan 0.000 0.427 122 L N 4.451 125.512 121.223 -0.270 0.000 2.287 122 L HA 0.480 4.842 4.340 0.037 0.000 0.287 122 L C -0.204 176.541 176.870 -0.208 0.000 1.022 122 L CA -0.253 54.377 54.840 -0.350 0.000 0.814 122 L CB 1.578 43.424 42.059 -0.355 0.000 1.217 122 L HN 0.695 nan 8.230 nan 0.000 0.420 123 C N 4.428 123.633 119.300 -0.158 0.000 2.225 123 C HA 0.744 5.226 4.460 0.037 0.000 0.328 123 C C 0.630 175.581 174.990 -0.065 0.000 1.187 123 C CA -0.504 58.461 59.018 -0.088 0.000 1.665 123 C CB -0.572 27.139 27.740 -0.048 0.000 2.253 123 C HN 0.838 nan 8.230 nan 0.000 0.497 124 A N 6.032 128.812 122.820 -0.068 0.000 2.360 124 A HA 0.784 5.126 4.320 0.037 0.000 0.309 124 A C -0.092 177.466 177.584 -0.044 0.000 1.311 124 A CA -0.123 51.886 52.037 -0.046 0.000 0.805 124 A CB -0.125 18.843 19.000 -0.054 0.000 1.144 124 A HN 1.561 nan 8.150 nan 0.000 0.486 125 C N -0.140 119.139 119.300 -0.034 0.000 3.284 125 C HA 0.751 5.233 4.460 0.037 0.000 0.348 125 C C 1.396 176.368 174.990 -0.031 0.000 1.448 125 C CA 0.186 59.181 59.018 -0.038 0.000 1.223 125 C CB 1.111 28.827 27.740 -0.040 0.000 1.588 125 C HN 1.222 nan 8.230 nan 0.000 0.451 126 S N 0.677 116.361 115.700 -0.026 0.000 2.527 126 S HA 0.183 4.675 4.470 0.037 0.000 0.222 126 S C 0.420 174.973 174.600 -0.078 0.000 0.985 126 S CA 0.821 59.015 58.200 -0.011 0.000 0.921 126 S CB -0.582 62.656 63.200 0.063 0.000 0.772 126 S HN 0.931 nan 8.310 nan 0.000 0.529 130 R N -0.917 119.552 120.500 -0.051 0.000 2.837 130 R HA 0.711 5.073 4.340 0.037 0.000 0.271 130 R C 0.088 176.332 176.300 -0.094 0.000 0.993 130 R CA 0.277 56.319 56.100 -0.096 0.000 0.931 130 R CB 1.393 31.626 30.300 -0.111 0.000 1.206 130 R HN 0.113 nan 8.270 nan 0.000 0.474 131 A N 1.073 123.788 122.820 -0.175 0.000 1.898 131 A HA 0.017 4.359 4.320 0.037 0.000 0.214 131 A C -0.060 177.537 177.584 0.022 0.000 1.183 131 A CA 1.273 53.251 52.037 -0.098 0.000 0.622 131 A CB -0.205 18.715 19.000 -0.132 0.000 0.824 131 A HN 0.644 nan 8.150 nan 0.000 0.444 132 Y N -3.663 116.626 120.300 -0.019 0.000 2.558 132 Y HA 0.621 5.193 4.550 0.036 0.000 0.333 132 Y C -3.247 172.652 175.900 -0.002 0.000 1.125 132 Y CA -3.306 54.788 58.100 -0.009 0.000 1.039 132 Y CB 0.254 38.703 38.460 -0.019 0.000 1.331 132 Y HN -0.085 nan 8.280 nan 0.000 0.456 133 P HA 0.259 nan 4.420 nan 0.000 0.271 133 P C 0.126 177.487 177.300 0.102 0.000 1.218 133 P CA 0.181 63.372 63.100 0.152 0.000 0.780 133 P CB 1.096 32.855 31.700 0.098 0.000 0.901 137 I N 0.764 121.360 120.570 0.045 0.000 2.353 137 I HA -0.134 4.058 4.170 0.037 0.000 0.248 137 I C 2.291 178.423 176.117 0.024 0.000 1.119 137 I CA 1.773 63.101 61.300 0.047 0.000 1.417 137 I CB -0.097 37.947 38.000 0.073 0.000 1.078 137 I HN 0.597 nan 8.210 nan 0.000 0.421 138 E N 1.080 121.291 120.200 0.018 0.000 2.085 138 E HA -0.197 4.175 4.350 0.037 0.000 0.194 138 E C 2.318 178.912 176.600 -0.009 0.000 0.994 138 E CA 1.493 57.896 56.400 0.005 0.000 0.801 138 E CB 0.171 29.870 29.700 -0.001 0.000 0.743 138 E HN 0.255 nan 8.360 nan 0.000 0.453 139 V N 1.292 121.195 119.914 -0.018 0.000 2.295 139 V HA -0.286 3.856 4.120 0.037 0.000 0.246 139 V C 2.625 178.702 176.094 -0.029 0.000 1.049 139 V CA 2.202 64.483 62.300 -0.032 0.000 1.024 139 V CB -0.707 31.089 31.823 -0.044 0.000 0.648 139 V HN 0.416 nan 8.190 nan 0.000 0.447 140 Q N 0.503 120.289 119.800 -0.025 0.000 2.077 140 Q HA -0.335 4.027 4.340 0.037 0.000 0.206 140 Q C 2.137 178.131 176.000 -0.010 0.000 0.989 140 Q CA 2.627 58.416 55.803 -0.022 0.000 0.853 140 Q CB -0.284 28.445 28.738 -0.015 0.000 0.907 140 Q HN 0.710 nan 8.270 nan 0.000 0.418 141 N N -0.215 118.484 118.700 -0.002 0.000 2.142 141 N HA -0.118 4.644 4.740 0.037 0.000 0.186 141 N C 1.598 177.105 175.510 -0.005 0.000 1.023 141 N CA 1.770 54.821 53.050 0.001 0.000 0.852 141 N CB -0.338 38.153 38.487 0.007 0.000 0.998 141 N HN 0.351 nan 8.380 nan 0.000 0.424 142 A N 0.247 123.060 122.820 -0.011 0.000 1.972 142 A HA -0.009 4.333 4.320 0.037 0.000 0.219 142 A C 2.066 179.641 177.584 -0.015 0.000 1.169 142 A CA 0.917 52.945 52.037 -0.016 0.000 0.635 142 A CB -0.649 18.335 19.000 -0.027 0.000 0.810 142 A HN 0.386 nan 8.150 nan 0.000 0.446 143 L N -1.062 120.152 121.223 -0.015 0.000 2.599 143 L HA 0.167 4.529 4.340 0.037 0.000 0.230 143 L C 1.538 178.408 176.870 0.001 0.000 1.141 143 L CA 0.450 55.285 54.840 -0.009 0.000 0.877 143 L CB -0.315 41.735 42.059 -0.014 0.000 1.009 143 L HN 0.566 nan 8.230 nan 0.000 0.447 144 G N 1.001 109.801 108.800 0.000 0.000 2.225 144 G HA2 -0.265 3.717 3.960 0.037 0.000 0.264 144 G HA3 -0.265 3.717 3.960 0.037 0.000 0.264 144 G C 0.017 174.923 174.900 0.009 0.000 1.060 144 G CA -0.069 45.034 45.100 0.006 0.000 0.833 144 G HN 0.241 nan 8.290 nan 0.000 0.498 145 L N -0.242 120.983 121.223 0.004 0.000 2.360 145 L HA 0.734 5.096 4.340 0.037 0.000 0.271 145 L C 1.437 178.309 176.870 0.003 0.000 1.057 145 L CA -0.470 54.371 54.840 0.002 0.000 0.803 145 L CB 1.173 43.223 42.059 -0.015 0.000 1.207 145 L HN 0.226 nan 8.230 nan 0.000 0.445 146 G N -0.299 108.504 108.800 0.005 0.000 2.509 146 G HA2 0.590 4.572 3.960 0.037 0.000 0.269 146 G HA3 0.590 4.572 3.960 0.037 0.000 0.269 146 G C 0.247 175.148 174.900 0.001 0.000 1.416 146 G CA 0.068 45.176 45.100 0.013 0.000 1.052 146 G HN 1.008 nan 8.290 nan 0.000 0.542 147 G N -1.070 107.748 108.800 0.030 0.000 2.512 147 G HA2 0.258 4.240 3.960 0.037 0.000 0.254 147 G HA3 0.258 4.240 3.960 0.037 0.000 0.254 147 G C -0.054 174.921 174.900 0.126 0.000 1.199 147 G CA 0.633 45.761 45.100 0.046 0.000 0.941 147 G HN 1.914 nan 8.290 nan 0.000 0.569 148 F N -1.188 118.780 119.950 0.030 0.000 2.640 148 F HA 0.982 5.529 4.527 0.034 0.000 0.324 148 F C 0.030 175.874 175.800 0.072 0.000 1.077 148 F CA -0.636 57.398 58.000 0.057 0.000 0.965 148 F CB 1.598 40.638 39.000 0.067 0.000 1.351 148 F HN 1.768 nan 8.300 nan 0.000 0.487 149 A N 1.448 124.483 122.820 0.360 0.000 2.589 149 A HA 0.816 5.158 4.320 0.037 0.000 0.296 149 A C -1.817 176.001 177.584 0.390 0.000 1.062 149 A CA -0.552 51.595 52.037 0.183 0.000 0.686 149 A CB 1.192 20.225 19.000 0.056 0.000 1.282 149 A HN 1.523 nan 8.150 nan 0.000 0.404 150 F N -0.366 119.699 119.950 0.192 0.000 2.686 150 F HA 0.824 5.372 4.527 0.035 0.000 0.311 150 F C -1.106 174.757 175.800 0.106 0.000 1.128 150 F CA -0.982 57.109 58.000 0.152 0.000 0.946 150 F CB 0.726 39.834 39.000 0.180 0.000 1.336 150 F HN 0.404 nan 8.300 nan 0.000 0.457 154 V N 3.375 123.212 119.914 -0.128 0.000 2.771 154 V HA 0.669 4.811 4.120 0.037 0.000 0.355 154 V C 1.089 177.066 176.094 -0.195 0.000 1.289 154 V CA 0.890 63.044 62.300 -0.242 0.000 1.231 154 V CB -0.625 30.838 31.823 -0.600 0.000 1.396 154 V HN 1.011 nan 8.190 nan 0.000 0.628 155 A N 0.652 123.426 122.820 -0.076 0.000 5.318 155 A HA -0.381 3.961 4.320 0.037 0.000 0.329 155 A C 1.897 179.472 177.584 -0.016 0.000 1.789 155 A CA 2.009 54.044 52.037 -0.003 0.000 0.711 155 A CB -2.218 16.819 19.000 0.062 0.000 1.398 155 A HN 1.061 nan 8.150 nan 0.000 0.392 156 C N -0.339 118.975 119.300 0.023 0.000 2.409 156 C HA 0.144 4.626 4.460 0.037 0.000 0.284 156 C C 2.595 177.560 174.990 -0.042 0.000 1.354 156 C CA 1.399 60.443 59.018 0.043 0.000 1.787 156 C CB -1.390 26.334 27.740 -0.028 0.000 1.900 156 C HN 0.681 nan 8.230 nan 0.000 0.520 157 S N 0.435 116.053 115.700 -0.137 0.000 2.572 157 S HA 0.034 4.526 4.470 0.037 0.000 0.228 157 S C 1.626 176.139 174.600 -0.145 0.000 0.963 157 S CA -0.004 58.117 58.200 -0.132 0.000 0.939 157 S CB -0.035 63.047 63.200 -0.197 0.000 0.804 157 S HN 0.643 nan 8.310 nan 0.000 0.480 158 S N 2.219 117.838 115.700 -0.135 0.000 2.399 158 S HA -0.084 4.408 4.470 0.037 0.000 0.231 158 S C 2.209 176.809 174.600 0.000 0.000 1.022 158 S CA 1.072 59.219 58.200 -0.087 0.000 0.983 158 S CB -0.207 62.952 63.200 -0.067 0.000 0.803 158 S HN 0.680 nan 8.310 nan 0.000 0.480 159 A N 1.630 124.446 122.820 -0.007 0.000 1.930 159 A HA -0.059 4.283 4.320 0.037 0.000 0.215 159 A C 2.426 180.012 177.584 0.004 0.000 1.176 159 A CA 1.775 53.799 52.037 -0.022 0.000 0.632 159 A CB -1.166 17.801 19.000 -0.055 0.000 0.819 159 A HN 0.613 nan 8.150 nan 0.000 0.445 160 T N -3.344 111.250 114.554 0.067 0.000 2.857 160 T HA -0.054 4.318 4.350 0.037 0.000 0.266 160 T C 1.573 176.359 174.700 0.143 0.000 1.048 160 T CA 1.209 63.356 62.100 0.080 0.000 1.139 160 T CB -0.512 68.416 68.868 0.100 0.000 0.874 160 T HN 0.162 nan 8.240 nan 0.000 0.455 161 F N 2.459 122.380 119.950 -0.050 0.000 2.186 161 F HA 0.249 4.799 4.527 0.039 0.000 0.299 161 F C 2.760 178.515 175.800 -0.075 0.000 1.090 161 F CA 0.415 58.388 58.000 -0.045 0.000 1.307 161 F CB -1.164 37.826 39.000 -0.016 0.000 1.019 161 F HN 0.338 nan 8.300 nan 0.000 0.489 162 G N -0.088 108.774 108.800 0.103 0.000 2.402 162 G HA2 -0.180 3.802 3.960 0.037 0.000 0.216 162 G HA3 -0.180 3.802 3.960 0.037 0.000 0.216 162 G C 1.827 176.670 174.900 -0.094 0.000 1.162 162 G CA 0.638 45.718 45.100 -0.032 0.000 0.777 162 G HN 0.315 nan 8.290 nan 0.000 0.539 163 L N 0.203 121.381 121.223 -0.075 0.000 2.046 163 L HA -0.060 4.302 4.340 0.037 0.000 0.208 163 L C 2.892 179.701 176.870 -0.101 0.000 1.077 163 L CA 1.292 56.073 54.840 -0.099 0.000 0.747 163 L CB -0.317 41.680 42.059 -0.104 0.000 0.896 163 L HN 0.135 nan 8.230 nan 0.000 0.432 164 K N 0.147 120.489 120.400 -0.097 0.000 2.032 164 K HA -0.170 4.171 4.320 0.037 0.000 0.209 164 K C 1.939 178.448 176.600 -0.152 0.000 1.048 164 K CA 2.201 58.421 56.287 -0.113 0.000 0.927 164 K CB -0.380 32.027 32.500 -0.155 0.000 0.712 164 K HN 0.235 nan 8.250 nan 0.000 0.441 165 T N 1.204 115.636 114.554 -0.204 0.000 2.708 165 T HA -0.097 4.275 4.350 0.037 0.000 0.266 165 T C 1.951 176.301 174.700 -0.582 0.000 1.037 165 T CA 1.645 63.507 62.100 -0.398 0.000 1.146 165 T CB -0.366 68.281 68.868 -0.368 0.000 0.865 165 T HN 0.419 nan 8.240 nan 0.000 0.435 166 A N 1.528 124.128 122.820 -0.366 0.000 1.908 166 A HA 0.082 4.424 4.320 0.037 0.000 0.218 166 A C 2.648 180.191 177.584 -0.068 0.000 1.181 166 A CA 1.974 53.886 52.037 -0.207 0.000 0.627 166 A CB -1.146 17.772 19.000 -0.137 0.000 0.818 166 A HN 0.518 nan 8.150 nan 0.000 0.445 167 A N -0.251 122.529 122.820 -0.067 0.000 1.902 167 A HA -0.174 4.168 4.320 0.037 0.000 0.217 167 A C 1.795 179.405 177.584 0.043 0.000 1.181 167 A CA 1.846 53.883 52.037 0.001 0.000 0.623 167 A CB -0.531 18.466 19.000 -0.005 0.000 0.818 167 A HN 0.466 nan 8.150 nan 0.000 0.443 168 D N -0.815 119.594 120.400 0.014 0.000 2.144 168 D HA -0.088 4.574 4.640 0.037 0.000 0.200 168 D C 1.637 178.107 176.300 0.283 0.000 0.978 168 D CA 0.886 54.948 54.000 0.104 0.000 0.833 168 D CB -0.328 40.516 40.800 0.072 0.000 0.961 168 D HN 0.381 nan 8.370 nan 0.000 0.470 169 F N 0.928 120.933 119.950 0.092 0.000 2.102 169 F HA -0.117 4.430 4.527 0.033 0.000 0.298 169 F C 2.578 178.435 175.800 0.095 0.000 1.105 169 F CA 0.183 58.256 58.000 0.121 0.000 1.239 169 F CB -1.204 37.889 39.000 0.154 0.000 0.991 169 F HN -0.157 nan 8.300 nan 0.000 0.474 170 V N 0.077 120.155 119.914 0.272 0.000 2.407 170 V HA -0.231 3.911 4.120 0.037 0.000 0.248 170 V C 2.688 178.867 176.094 0.142 0.000 1.055 170 V CA 1.953 64.354 62.300 0.168 0.000 1.049 170 V CB -1.461 30.432 31.823 0.117 0.000 0.662 170 V HN 0.442 nan 8.190 nan 0.000 0.455 171 G N -0.190 108.694 108.800 0.140 0.000 2.432 171 G HA2 -0.137 3.845 3.960 0.037 0.000 0.219 171 G HA3 -0.137 3.845 3.960 0.037 0.000 0.219 171 G C 1.475 176.444 174.900 0.116 0.000 1.135 171 G CA 0.849 46.017 45.100 0.114 0.000 0.767 171 G HN 0.610 nan 8.290 nan 0.000 0.550 172 G N -0.731 108.152 108.800 0.138 0.000 2.880 172 G HA2 0.367 4.349 3.960 0.037 0.000 0.209 172 G HA3 0.367 4.349 3.960 0.037 0.000 0.209 172 G C 1.295 176.256 174.900 0.102 0.000 1.157 172 G CA 0.564 45.735 45.100 0.119 0.000 0.779 172 G HN 1.383 nan 8.290 nan 0.000 0.539 173 G N 0.148 109.012 108.800 0.107 0.000 2.179 173 G HA2 -0.334 3.648 3.960 0.037 0.000 0.260 173 G HA3 -0.334 3.648 3.960 0.037 0.000 0.260 173 G C 1.604 176.552 174.900 0.080 0.000 0.977 173 G CA 1.242 46.396 45.100 0.090 0.000 0.641 173 G HN 1.318 nan 8.290 nan 0.000 0.533 174 S N -1.032 114.716 115.700 0.080 0.000 2.474 174 S HA 0.369 4.861 4.470 0.037 0.000 0.235 174 S C 1.043 175.694 174.600 0.085 0.000 0.997 174 S CA 1.563 59.800 58.200 0.062 0.000 0.949 174 S CB -0.132 63.080 63.200 0.021 0.000 0.766 174 S HN 2.049 nan 8.310 nan 0.000 0.517 175 V N -2.740 117.233 119.914 0.098 0.000 3.114 175 V HA 0.592 4.734 4.120 0.037 0.000 0.308 175 V C -0.585 175.566 176.094 0.095 0.000 1.168 175 V CA -0.865 61.488 62.300 0.088 0.000 1.015 175 V CB 1.842 33.706 31.823 0.068 0.000 1.050 175 V HN -0.038 nan 8.190 nan 0.000 0.433 176 D N 1.222 121.677 120.400 0.091 0.000 2.355 176 D HA 0.530 5.192 4.640 0.037 0.000 0.206 176 D C 0.625 177.003 176.300 0.129 0.000 1.010 176 D CA 1.581 55.648 54.000 0.112 0.000 0.875 176 D CB 1.308 42.178 40.800 0.118 0.000 0.966 176 D HN 1.080 nan 8.370 nan 0.000 0.512 177 A N 0.060 122.937 122.820 0.094 0.000 2.589 177 A HA 0.582 4.924 4.320 0.037 0.000 0.296 177 A C -1.402 176.151 177.584 -0.052 0.000 1.062 177 A CA -0.540 51.512 52.037 0.025 0.000 0.686 177 A CB 1.706 20.737 19.000 0.052 0.000 1.282 177 A HN -0.117 nan 8.150 nan 0.000 0.404 178 V N 2.133 121.979 119.914 -0.114 0.000 2.588 178 V HA 0.584 4.726 4.120 0.037 0.000 0.304 178 V C -0.334 175.637 176.094 -0.205 0.000 1.042 178 V CA -0.470 61.755 62.300 -0.125 0.000 0.877 178 V CB 1.454 33.249 31.823 -0.047 0.000 0.996 178 V HN 1.010 nan 8.190 nan 0.000 0.425 182 N N 3.617 122.269 118.700 -0.081 0.000 2.841 182 N HA 0.531 5.293 4.740 0.037 0.000 0.257 182 N C -3.040 172.434 175.510 -0.061 0.000 1.396 182 N CA -1.115 51.892 53.050 -0.072 0.000 0.823 182 N CB 2.019 40.458 38.487 -0.081 0.000 1.162 182 N HN 0.712 nan 8.380 nan 0.000 0.503 183 P HA 0.207 nan 4.420 nan 0.000 0.293 183 P C -0.896 176.386 177.300 -0.029 0.000 1.300 183 P CA -0.081 63.000 63.100 -0.030 0.000 0.792 183 P CB 1.404 33.084 31.700 -0.033 0.000 0.925 184 E N 3.933 124.118 120.200 -0.025 0.000 2.279 184 E HA 0.326 4.698 4.350 0.037 0.000 0.252 184 E C -0.283 176.296 176.600 -0.034 0.000 0.894 184 E CA -0.497 55.873 56.400 -0.049 0.000 0.785 184 E CB 1.703 31.342 29.700 -0.102 0.000 1.237 184 E HN 0.490 nan 8.360 nan 0.000 0.418 185 I N 2.716 123.282 120.570 -0.008 0.000 2.448 185 I HA 0.112 4.304 4.170 0.037 0.000 0.284 185 I C 1.060 177.153 176.117 -0.040 0.000 1.135 185 I CA -0.300 61.006 61.300 0.009 0.000 1.207 185 I CB 0.059 38.089 38.000 0.050 0.000 1.548 185 I HN 0.463 nan 8.210 nan 0.000 0.543 186 C N 0.700 119.844 119.300 -0.260 0.000 2.432 186 C HA -0.132 4.350 4.460 0.037 0.000 0.280 186 C C 2.965 177.707 174.990 -0.414 0.000 1.353 186 C CA 1.208 59.762 59.018 -0.774 0.000 1.766 186 C CB -0.978 25.896 27.740 -1.443 0.000 1.924 186 C HN 0.828 nan 8.230 nan 0.000 0.509 187 S N 1.445 117.112 115.700 -0.055 0.000 2.440 187 S HA -0.072 4.420 4.470 0.037 0.000 0.238 187 S C 1.898 176.649 174.600 0.252 0.000 1.010 187 S CA 1.555 59.890 58.200 0.226 0.000 0.972 187 S CB -0.770 62.613 63.200 0.304 0.000 0.774 187 S HN 0.617 nan 8.310 nan 0.000 0.501 188 G N 1.505 110.399 108.800 0.156 0.000 2.471 188 G HA2 -0.091 3.891 3.960 0.037 0.000 0.219 188 G HA3 -0.091 3.891 3.960 0.037 0.000 0.219 188 G C 1.070 176.137 174.900 0.277 0.000 1.125 188 G CA 0.795 46.020 45.100 0.209 0.000 0.775 188 G HN 0.975 nan 8.290 nan 0.000 0.548 189 H N -2.515 116.631 119.070 0.126 0.000 2.785 189 H HA 0.561 5.139 4.556 0.036 0.000 0.268 189 H C 0.165 175.626 175.328 0.221 0.000 1.153 189 H CA -0.969 55.181 56.048 0.169 0.000 1.111 189 H CB 0.304 30.168 29.762 0.169 0.000 1.633 189 H HN 0.163 nan 8.280 nan 0.000 0.576 190 L N 1.975 123.238 121.223 0.067 0.000 2.350 190 L HA 0.283 4.644 4.340 0.037 0.000 0.275 190 L C -0.079 176.696 176.870 -0.158 0.000 1.099 190 L CA -0.580 54.160 54.840 -0.167 0.000 0.808 190 L CB 1.170 42.887 42.059 -0.570 0.000 1.149 190 L HN 0.298 nan 8.230 nan 0.000 0.442 191 N N 3.416 122.035 118.700 -0.135 0.000 2.482 191 N HA 0.062 4.824 4.740 0.037 0.000 0.242 191 N C 0.323 175.776 175.510 -0.095 0.000 1.100 191 N CA 0.108 53.137 53.050 -0.035 0.000 0.946 191 N CB -0.047 38.457 38.487 0.027 0.000 1.227 191 N HN 0.524 nan 8.380 nan 0.000 0.508 192 F N 1.542 121.529 119.950 0.063 0.000 2.641 192 F HA 0.067 4.616 4.527 0.037 0.000 0.298 192 F C 1.805 177.692 175.800 0.144 0.000 1.146 192 F CA 0.583 58.651 58.000 0.113 0.000 1.464 192 F CB 0.274 39.320 39.000 0.076 0.000 1.101 192 F HN 0.379 nan 8.300 nan 0.000 0.585 193 R N -0.617 119.975 120.500 0.153 0.000 2.334 193 R HA 0.034 4.396 4.340 0.037 0.000 0.216 193 R C -0.217 176.256 176.300 0.289 0.000 0.905 193 R CA 0.037 56.174 56.100 0.061 0.000 1.064 193 R CB -0.090 30.086 30.300 -0.207 0.000 1.046 193 R HN 0.016 nan 8.270 nan 0.000 0.508 194 D N 0.663 121.203 120.400 0.233 0.000 2.373 194 D HA 0.072 4.734 4.640 0.037 0.000 0.227 194 D C 0.905 177.283 176.300 0.131 0.000 1.091 194 D CA -0.361 53.737 54.000 0.164 0.000 0.840 194 D CB 0.968 41.811 40.800 0.072 0.000 1.060 194 D HN -0.135 nan 8.370 nan 0.000 0.502 195 R N 2.857 123.449 120.500 0.153 0.000 2.127 195 R HA -0.148 4.214 4.340 0.037 0.000 0.238 195 R C 0.364 176.852 176.300 0.314 0.000 1.134 195 R CA 1.398 57.491 56.100 -0.013 0.000 0.975 195 R CB 0.183 30.525 30.300 0.070 0.000 0.865 195 R HN 0.470 nan 8.270 nan 0.000 0.447 196 D N -0.810 119.733 120.400 0.238 0.000 2.312 196 D HA -0.061 4.601 4.640 0.037 0.000 0.211 196 D C 1.180 177.557 176.300 0.128 0.000 0.964 196 D CA 1.411 55.592 54.000 0.301 0.000 0.877 196 D CB 0.451 41.351 40.800 0.166 0.000 0.924 196 D HN 0.390 nan 8.370 nan 0.000 0.515 197 S N -1.576 114.088 115.700 -0.060 0.000 2.817 197 S HA -0.015 4.477 4.470 0.037 0.000 0.262 197 S C 1.337 175.564 174.600 -0.622 0.000 1.051 197 S CA -0.414 57.517 58.200 -0.450 0.000 1.185 197 S CB -0.640 62.463 63.200 -0.163 0.000 1.152 197 S HN 0.394 nan 8.310 nan 0.000 0.653 198 H N 1.384 120.195 119.070 -0.432 0.000 2.521 198 H HA 0.136 4.714 4.556 0.037 0.000 0.286 198 H C 1.460 176.610 175.328 -0.297 0.000 1.034 198 H CA 1.412 57.246 56.048 -0.357 0.000 1.278 198 H CB -0.561 29.111 29.762 -0.151 0.000 1.386 198 H HN 0.638 nan 8.280 nan 0.000 0.567 199 F N -0.847 118.711 119.950 -0.652 0.000 2.765 199 F HA 0.345 4.894 4.527 0.036 0.000 0.302 199 F C 1.523 177.130 175.800 -0.323 0.000 1.111 199 F CA -0.475 57.210 58.000 -0.526 0.000 1.359 199 F CB -0.279 38.387 39.000 -0.556 0.000 1.097 199 F HN 0.111 nan 8.300 nan 0.000 0.577 200 I N -0.523 119.536 120.570 -0.851 0.000 2.277 200 I HA -0.089 4.103 4.170 0.037 0.000 0.243 200 I C 0.487 176.420 176.117 -0.307 0.000 1.094 200 I CA 0.628 61.531 61.300 -0.661 0.000 1.393 200 I CB -0.171 37.246 38.000 -0.971 0.000 1.078 200 I HN -0.059 nan 8.210 nan 0.000 0.417 201 F N 1.022 120.682 119.950 -0.483 0.000 2.385 201 F HA 0.570 5.119 4.527 0.037 0.000 0.336 201 F C 0.750 176.437 175.800 -0.188 0.000 1.100 201 F CA -1.281 56.485 58.000 -0.391 0.000 1.116 201 F CB 1.013 39.682 39.000 -0.552 0.000 1.166 201 F HN -0.154 nan 8.300 nan 0.000 0.511 202 G N 1.552 110.386 108.800 0.056 0.000 2.949 202 G HA2 0.551 4.533 3.960 0.037 0.000 0.285 202 G HA3 0.551 4.533 3.960 0.037 0.000 0.285 202 G C -1.846 173.059 174.900 0.010 0.000 1.395 202 G CA -0.743 44.394 45.100 0.061 0.000 0.901 202 G HN 0.361 nan 8.290 nan 0.000 0.519 203 D N -0.867 119.582 120.400 0.083 0.000 2.342 203 D HA 0.731 5.393 4.640 0.037 0.000 0.243 203 D C -0.591 175.774 176.300 0.108 0.000 1.019 203 D CA -0.307 53.730 54.000 0.062 0.000 0.864 203 D CB 2.478 43.325 40.800 0.077 0.000 1.315 203 D HN 0.413 nan 8.370 nan 0.000 0.468 204 V N -0.568 119.386 119.914 0.067 0.000 3.298 204 V HA 0.706 4.848 4.120 0.037 0.000 0.276 204 V C -1.846 174.282 176.094 0.057 0.000 1.699 204 V CA -0.608 61.724 62.300 0.054 0.000 1.039 204 V CB 2.020 33.867 31.823 0.041 0.000 1.243 204 V HN 0.790 nan 8.190 nan 0.000 0.472 205 A N 1.600 124.465 122.820 0.075 0.000 2.449 205 A HA 0.988 5.330 4.320 0.037 0.000 0.302 205 A C -0.398 177.153 177.584 -0.055 0.000 1.048 205 A CA 0.092 52.142 52.037 0.023 0.000 0.708 205 A CB 1.994 21.031 19.000 0.062 0.000 1.274 205 A HN 1.601 nan 8.150 nan 0.000 0.410 206 T N -1.134 113.360 114.554 -0.100 0.000 2.940 206 T HA 0.929 5.301 4.350 0.037 0.000 0.288 206 T C -0.208 174.417 174.700 -0.125 0.000 1.045 206 T CA -0.216 61.792 62.100 -0.153 0.000 1.018 206 T CB 1.858 70.621 68.868 -0.174 0.000 1.151 206 T HN 2.150 nan 8.240 nan 0.000 0.529 207 A N -0.000 122.737 122.820 -0.138 0.000 2.572 207 A HA 0.950 5.292 4.320 0.037 0.000 0.295 207 A C -0.977 176.545 177.584 -0.103 0.000 1.072 207 A CA -0.702 51.267 52.037 -0.114 0.000 0.691 207 A CB 1.358 20.297 19.000 -0.103 0.000 1.291 207 A HN 1.755 nan 8.150 nan 0.000 0.404 208 A N 0.861 123.614 122.820 -0.112 0.000 2.515 208 A HA 0.773 5.115 4.320 0.037 0.000 0.298 208 A C -1.215 176.264 177.584 -0.175 0.000 1.059 208 A CA -0.358 51.615 52.037 -0.107 0.000 0.698 208 A CB 0.919 19.866 19.000 -0.089 0.000 1.289 208 A HN 0.822 nan 8.150 nan 0.000 0.404 209 I N 1.887 122.317 120.570 -0.233 0.000 2.354 209 I HA 0.440 4.632 4.170 0.037 0.000 0.292 209 I C -0.725 175.209 176.117 -0.305 0.000 0.989 209 I CA -0.851 60.206 61.300 -0.405 0.000 1.188 209 I CB 1.811 39.331 38.000 -0.799 0.000 1.342 209 I HN 0.316 nan 8.210 nan 0.000 0.457 210 V N 6.552 126.321 119.914 -0.240 0.000 2.459 210 V HA 0.464 4.606 4.120 0.037 0.000 0.295 210 V C -0.088 175.954 176.094 -0.087 0.000 1.029 210 V CA -0.397 61.832 62.300 -0.119 0.000 0.874 210 V CB 1.645 33.419 31.823 -0.080 0.000 0.985 210 V HN 0.893 nan 8.190 nan 0.000 0.438 211 E N 4.715 124.916 120.200 0.001 0.000 2.446 211 E HA 0.564 4.936 4.350 0.037 0.000 0.276 211 E C -0.863 175.797 176.600 0.100 0.000 0.969 211 E CA -1.327 55.120 56.400 0.078 0.000 0.800 211 E CB 1.635 31.445 29.700 0.183 0.000 1.341 211 E HN 0.606 nan 8.360 nan 0.000 0.460 212 R N 0.663 121.232 120.500 0.115 0.000 2.538 212 R HA 0.241 4.603 4.340 0.037 0.000 0.282 212 R C 0.702 177.064 176.300 0.103 0.000 1.009 212 R CA 0.466 56.628 56.100 0.103 0.000 1.063 212 R CB 0.364 30.724 30.300 0.101 0.000 0.945 212 R HN 0.650 nan 8.270 nan 0.000 0.414 213 A N 3.667 126.540 122.820 0.088 0.000 1.940 213 A HA -0.227 4.115 4.320 0.037 0.000 0.219 213 A C 1.388 179.015 177.584 0.072 0.000 1.176 213 A CA 1.693 53.779 52.037 0.081 0.000 0.631 213 A CB -0.391 18.652 19.000 0.071 0.000 0.814 213 A HN 0.880 nan 8.150 nan 0.000 0.446 214 D N 0.161 120.602 120.400 0.069 0.000 2.172 214 D HA -0.149 4.513 4.640 0.037 0.000 0.196 214 D C 0.741 177.076 176.300 0.058 0.000 0.999 214 D CA 1.648 55.683 54.000 0.059 0.000 0.856 214 D CB -0.267 40.568 40.800 0.059 0.000 0.934 214 D HN 0.419 nan 8.370 nan 0.000 0.453 215 D N -0.668 119.777 120.400 0.074 0.000 2.369 215 D HA 0.230 4.892 4.640 0.037 0.000 0.211 215 D C 0.170 176.522 176.300 0.087 0.000 1.077 215 D CA -0.029 54.014 54.000 0.073 0.000 0.842 215 D CB 0.331 41.181 40.800 0.084 0.000 0.947 215 D HN 0.050 nan 8.370 nan 0.000 0.509 216 A N 0.433 123.313 122.820 0.101 0.000 2.316 216 A HA 0.512 4.854 4.320 0.037 0.000 0.284 216 A C -0.155 177.476 177.584 0.079 0.000 1.115 216 A CA -0.291 51.820 52.037 0.124 0.000 0.812 216 A CB 0.628 19.710 19.000 0.138 0.000 1.064 216 A HN -0.108 nan 8.150 nan 0.000 0.489 217 Q N 0.821 120.670 119.800 0.082 0.000 2.357 217 Q HA 0.548 4.910 4.340 0.037 0.000 0.266 217 Q C 0.659 176.688 176.000 0.047 0.000 1.021 217 Q CA 0.844 56.673 55.803 0.043 0.000 0.784 217 Q CB 1.519 30.269 28.738 0.020 0.000 1.243 217 Q HN 1.773 nan 8.270 nan 0.000 0.465 218 G N 1.867 110.674 108.800 0.013 0.000 2.539 218 G HA2 0.111 4.093 3.960 0.037 0.000 0.256 218 G HA3 0.111 4.093 3.960 0.037 0.000 0.256 218 G C 0.432 175.327 174.900 -0.009 0.000 1.233 218 G CA -0.340 44.746 45.100 -0.022 0.000 0.936 218 G HN 1.499 nan 8.290 nan 0.000 0.571 219 G N -2.309 106.474 108.800 -0.029 0.000 2.593 219 G HA2 0.120 4.102 3.960 0.037 0.000 0.237 219 G HA3 0.120 4.102 3.960 0.037 0.000 0.237 219 G C -0.356 174.459 174.900 -0.142 0.000 1.312 219 G CA 0.767 45.905 45.100 0.063 0.000 0.896 219 G HN 1.916 nan 8.290 nan 0.000 0.574 220 W N 0.614 121.989 121.300 0.125 0.000 2.619 220 W HA 0.644 5.325 4.660 0.035 0.000 0.327 220 W C 0.255 176.835 176.519 0.101 0.000 1.027 220 W CA -0.339 57.092 57.345 0.144 0.000 1.233 220 W CB 2.012 31.607 29.460 0.225 0.000 1.370 220 W HN 0.621 nan 8.180 nan 0.000 0.453 221 S N 3.476 119.325 115.700 0.249 0.000 2.533 221 S HA 0.237 4.729 4.470 0.037 0.000 0.282 221 S C 0.093 174.817 174.600 0.207 0.000 1.304 221 S CA -0.307 58.002 58.200 0.183 0.000 1.063 221 S CB 0.257 63.536 63.200 0.131 0.000 0.881 221 S HN 0.296 nan 8.310 nan 0.000 0.493 222 I N 4.344 125.004 120.570 0.149 0.000 2.347 222 I HA 0.067 4.259 4.170 0.037 0.000 0.294 222 I C 1.052 177.246 176.117 0.128 0.000 1.090 222 I CA -0.077 61.299 61.300 0.127 0.000 1.314 222 I CB 0.318 38.366 38.000 0.079 0.000 1.423 222 I HN 0.668 nan 8.210 nan 0.000 0.503 223 L N 5.925 127.243 121.223 0.157 0.000 2.179 223 L HA 0.209 4.571 4.340 0.037 0.000 0.208 223 L C 1.083 178.023 176.870 0.118 0.000 1.096 223 L CA 0.288 55.202 54.840 0.123 0.000 0.779 223 L CB -0.385 41.745 42.059 0.118 0.000 0.922 223 L HN 0.776 nan 8.230 nan 0.000 0.443 224 G N -0.855 108.057 108.800 0.187 0.000 2.411 224 G HA2 0.416 4.398 3.960 0.037 0.000 0.295 224 G HA3 0.416 4.398 3.960 0.037 0.000 0.295 224 G C -1.216 173.911 174.900 0.378 0.000 1.542 224 G CA -0.175 45.074 45.100 0.248 0.000 0.814 224 G HN -0.090 nan 8.290 nan 0.000 0.557 225 T N -1.770 112.963 114.554 0.299 0.000 2.906 225 T HA 0.819 5.191 4.350 0.037 0.000 0.295 225 T C -0.805 173.801 174.700 -0.156 0.000 1.061 225 T CA -0.900 61.291 62.100 0.152 0.000 1.000 225 T CB 2.710 71.576 68.868 -0.003 0.000 1.103 225 T HN 0.709 nan 8.240 nan 0.000 0.486 226 K N 2.088 122.281 120.400 -0.345 0.000 2.513 226 K HA 0.655 4.997 4.320 0.037 0.000 0.251 226 K C -1.700 174.720 176.600 -0.301 0.000 0.939 226 K CA -0.918 55.086 56.287 -0.473 0.000 0.793 226 K CB 1.577 33.582 32.500 -0.825 0.000 1.241 226 K HN 0.705 nan 8.250 nan 0.000 0.431 227 L N 3.287 124.314 121.223 -0.327 0.000 2.362 227 L HA 0.616 4.978 4.340 0.037 0.000 0.271 227 L C -0.686 176.071 176.870 -0.189 0.000 1.002 227 L CA -0.994 53.588 54.840 -0.430 0.000 0.818 227 L CB 2.074 43.539 42.059 -0.989 0.000 1.298 227 L HN 0.525 nan 8.230 nan 0.000 0.420 228 K N 1.417 121.827 120.400 0.018 0.000 2.501 228 K HA 0.649 4.991 4.320 0.037 0.000 0.252 228 K C -1.087 175.664 176.600 0.251 0.000 0.934 228 K CA -0.671 55.679 56.287 0.105 0.000 0.797 228 K CB 2.953 35.495 32.500 0.071 0.000 1.270 228 K HN 0.754 nan 8.250 nan 0.000 0.431 229 T N -0.945 113.740 114.554 0.218 0.000 2.906 229 T HA 0.452 4.824 4.350 0.037 0.000 0.295 229 T C -0.996 173.813 174.700 0.181 0.000 1.061 229 T CA -0.867 61.368 62.100 0.226 0.000 1.000 229 T CB 2.119 71.130 68.868 0.238 0.000 1.103 229 T HN 0.546 nan 8.240 nan 0.000 0.486 230 Q N 2.045 121.963 119.800 0.197 0.000 2.406 230 Q HA 0.343 4.705 4.340 0.037 0.000 0.244 230 Q C -1.641 174.443 176.000 0.139 0.000 0.884 230 Q CA -0.767 55.144 55.803 0.179 0.000 0.813 230 Q CB 1.320 30.176 28.738 0.197 0.000 1.368 230 Q HN 0.750 nan 8.270 nan 0.000 0.439 231 F N 2.577 122.516 119.950 -0.020 0.000 2.623 231 F HA 0.242 4.791 4.527 0.036 0.000 0.383 231 F C -0.345 175.318 175.800 -0.229 0.000 1.077 231 F CA 1.241 59.184 58.000 -0.095 0.000 1.268 231 F CB 0.970 39.934 39.000 -0.062 0.000 1.053 231 F HN 0.411 nan 8.300 nan 0.000 0.571 232 S N 4.577 119.612 115.700 -1.108 0.000 2.536 232 S HA 0.333 4.825 4.470 0.037 0.000 0.271 232 S C -0.036 173.904 174.600 -1.101 0.000 1.134 232 S CA -0.949 56.586 58.200 -1.108 0.000 0.897 232 S CB 1.052 63.274 63.200 -1.630 0.000 1.094 232 S HN 0.682 nan 8.310 nan 0.000 0.473 233 N N 2.880 121.138 118.700 -0.738 0.000 2.383 233 N HA 0.097 4.859 4.740 0.037 0.000 0.192 233 N C 0.561 175.875 175.510 -0.327 0.000 1.141 233 N CA 0.093 52.864 53.050 -0.466 0.000 0.851 233 N CB -0.138 38.196 38.487 -0.255 0.000 0.976 233 N HN 0.504 nan 8.380 nan 0.000 0.465 234 N N 0.422 118.913 118.700 -0.349 0.000 2.512 234 N HA 0.048 4.810 4.740 0.037 0.000 0.183 234 N C -0.069 175.342 175.510 -0.165 0.000 1.073 234 N CA 0.533 53.474 53.050 -0.182 0.000 0.911 234 N CB 0.781 39.236 38.487 -0.052 0.000 0.964 234 N HN 0.328 nan 8.380 nan 0.000 0.447 235 I N 0.308 120.752 120.570 -0.210 0.000 2.497 235 I HA 0.347 4.539 4.170 0.037 0.000 0.284 235 I C -0.297 175.681 176.117 -0.232 0.000 1.060 235 I CA -0.649 60.499 61.300 -0.254 0.000 1.071 235 I CB 1.988 39.941 38.000 -0.079 0.000 1.216 235 I HN -0.226 nan 8.210 nan 0.000 0.442 236 R N 4.298 124.636 120.500 -0.271 0.000 2.643 236 R HA 0.527 4.889 4.340 0.037 0.000 0.269 236 R C -1.845 174.403 176.300 -0.087 0.000 1.037 236 R CA -0.657 55.358 56.100 -0.141 0.000 0.894 236 R CB 1.886 32.103 30.300 -0.138 0.000 1.238 236 R HN 0.612 nan 8.270 nan 0.000 0.459 237 N N 2.271 120.979 118.700 0.014 0.000 2.500 237 N HA 0.212 4.974 4.740 0.037 0.000 0.291 237 N C -1.216 174.331 175.510 0.061 0.000 1.092 237 N CA -0.480 52.611 53.050 0.069 0.000 0.890 237 N CB 1.550 40.138 38.487 0.169 0.000 1.466 237 N HN 0.651 nan 8.380 nan 0.000 0.507 238 N N 0.948 119.679 118.700 0.052 0.000 2.322 238 N HA 0.109 4.871 4.740 0.037 0.000 0.194 238 N C 0.061 175.604 175.510 0.056 0.000 1.126 238 N CA 0.000 53.078 53.050 0.047 0.000 0.845 238 N CB 0.345 38.853 38.487 0.035 0.000 0.976 238 N HN 0.603 nan 8.380 nan 0.000 0.475 239 A N 0.193 123.055 122.820 0.069 0.000 2.462 239 A HA 0.606 4.948 4.320 0.037 0.000 0.243 239 A C 0.949 178.577 177.584 0.073 0.000 1.076 239 A CA 0.534 52.614 52.037 0.071 0.000 0.773 239 A CB 0.165 19.213 19.000 0.080 0.000 1.010 239 A HN 0.289 nan 8.150 nan 0.000 0.493 240 G N -0.115 108.732 108.800 0.079 0.000 2.317 240 G HA2 0.377 4.359 3.960 0.037 0.000 0.293 240 G HA3 0.377 4.359 3.960 0.037 0.000 0.293 240 G C 0.190 175.170 174.900 0.135 0.000 1.287 240 G CA -0.058 45.121 45.100 0.132 0.000 0.850 240 G HN 1.424 nan 8.290 nan 0.000 0.515 241 F N -0.337 119.635 119.950 0.037 0.000 2.269 241 F HA 0.198 4.748 4.527 0.037 0.000 0.301 241 F C 1.835 177.667 175.800 0.054 0.000 1.082 241 F CA 1.144 59.168 58.000 0.041 0.000 1.360 241 F CB -0.187 38.840 39.000 0.044 0.000 1.041 241 F HN 0.155 nan 8.300 nan 0.000 0.512 242 L N 0.913 121.737 121.223 -0.666 0.000 2.554 242 L HA 0.002 4.364 4.340 0.037 0.000 0.226 242 L C 1.540 178.323 176.870 -0.145 0.000 1.137 242 L CA 0.525 55.056 54.840 -0.514 0.000 0.863 242 L CB -0.924 40.755 42.059 -0.634 0.000 0.985 242 L HN 0.308 nan 8.230 nan 0.000 0.451 243 N N 0.292 118.960 118.700 -0.054 0.000 2.364 243 N HA -0.150 4.612 4.740 0.037 0.000 0.183 243 N C 1.630 177.178 175.510 0.064 0.000 1.022 243 N CA 0.518 53.597 53.050 0.048 0.000 0.883 243 N CB -0.023 38.500 38.487 0.059 0.000 0.965 243 N HN 0.330 nan 8.380 nan 0.000 0.438 244 R N 0.601 121.127 120.500 0.043 0.000 2.237 244 R HA 0.012 4.374 4.340 0.037 0.000 0.219 244 R C 1.545 177.882 176.300 0.061 0.000 1.080 244 R CA 0.843 56.975 56.100 0.053 0.000 0.995 244 R CB -0.022 30.320 30.300 0.071 0.000 0.875 244 R HN 0.208 nan 8.270 nan 0.000 0.462 245 A N -0.761 122.102 122.820 0.072 0.000 2.308 245 A HA -0.002 4.340 4.320 0.037 0.000 0.217 245 A C 0.406 178.155 177.584 0.274 0.000 1.216 245 A CA -0.179 51.928 52.037 0.116 0.000 0.864 245 A CB 0.030 19.066 19.000 0.060 0.000 0.902 245 A HN 0.484 nan 8.150 nan 0.000 0.499 246 W N 0.799 122.079 121.300 -0.032 0.000 1.504 246 W HA 0.246 4.928 4.660 0.037 0.000 0.313 246 W C -2.819 173.693 176.519 -0.011 0.000 0.936 246 W CA -1.230 56.102 57.345 -0.022 0.000 1.471 246 W CB 1.347 30.789 29.460 -0.029 0.000 1.627 246 W HN 0.136 nan 8.180 nan 0.000 0.408 247 P HA -0.230 nan 4.420 nan 0.000 0.222 247 P C 1.647 178.821 177.300 -0.212 0.000 1.147 247 P CA 1.726 64.751 63.100 -0.125 0.000 0.790 247 P CB 0.048 31.686 31.700 -0.104 0.000 0.780 248 E N -0.100 119.823 120.200 -0.461 0.000 2.333 248 E HA -0.101 4.271 4.350 0.037 0.000 0.198 248 E C 1.779 178.260 176.600 -0.199 0.000 1.007 248 E CA 1.544 57.703 56.400 -0.402 0.000 0.845 248 E CB -1.365 27.963 29.700 -0.620 0.000 0.766 248 E HN 0.258 nan 8.360 nan 0.000 0.507 249 G N 0.861 109.605 108.800 -0.093 0.000 3.042 249 G HA2 -0.027 3.955 3.960 0.037 0.000 0.212 249 G HA3 -0.027 3.955 3.960 0.037 0.000 0.212 249 G C 1.490 176.444 174.900 0.090 0.000 1.166 249 G CA -0.386 44.793 45.100 0.132 0.000 0.767 249 G HN 0.090 nan 8.290 nan 0.000 0.546 250 R N 0.942 121.466 120.500 0.041 0.000 2.189 250 R HA -0.034 4.328 4.340 0.037 0.000 0.223 250 R C 1.488 177.819 176.300 0.052 0.000 1.092 250 R CA 1.336 57.465 56.100 0.048 0.000 0.989 250 R CB 0.094 30.411 30.300 0.029 0.000 0.876 250 R HN 0.437 nan 8.270 nan 0.000 0.457 251 D N -0.017 120.409 120.400 0.044 0.000 2.339 251 D HA -0.019 4.643 4.640 0.037 0.000 0.217 251 D C -0.037 176.301 176.300 0.063 0.000 1.050 251 D CA 0.174 54.205 54.000 0.051 0.000 0.856 251 D CB 0.189 41.014 40.800 0.042 0.000 0.922 251 D HN -0.193 nan 8.370 nan 0.000 0.518 252 K N 0.611 121.052 120.400 0.068 0.000 2.154 252 K HA 0.424 4.766 4.320 0.037 0.000 0.264 252 K C 1.063 177.703 176.600 0.068 0.000 1.008 252 K CA -0.241 56.088 56.287 0.070 0.000 0.937 252 K CB 1.314 33.860 32.500 0.077 0.000 1.002 252 K HN -0.020 nan 8.250 nan 0.000 0.469 253 A N 1.731 124.588 122.820 0.061 0.000 2.076 253 A HA -0.182 4.160 4.320 0.037 0.000 0.220 253 A C 1.291 178.905 177.584 0.049 0.000 1.160 253 A CA 1.935 54.005 52.037 0.055 0.000 0.653 253 A CB -0.455 18.571 19.000 0.044 0.000 0.801 253 A HN 0.795 nan 8.150 nan 0.000 0.455 254 D N -0.607 119.819 120.400 0.045 0.000 2.378 254 D HA -0.089 4.573 4.640 0.037 0.000 0.227 254 D C 0.804 177.135 176.300 0.052 0.000 1.012 254 D CA 0.624 54.645 54.000 0.034 0.000 0.905 254 D CB -0.162 40.653 40.800 0.024 0.000 0.895 254 D HN 0.190 nan 8.370 nan 0.000 0.532 255 K N 0.138 120.581 120.400 0.071 0.000 2.437 255 K HA 0.296 4.638 4.320 0.037 0.000 0.198 255 K C 0.421 177.090 176.600 0.114 0.000 1.024 255 K CA -0.104 56.234 56.287 0.086 0.000 1.148 255 K CB 0.710 33.260 32.500 0.083 0.000 0.860 255 K HN 0.314 nan 8.250 nan 0.000 0.515 256 L N -1.015 120.280 121.223 0.121 0.000 2.250 256 L HA 0.435 4.797 4.340 0.037 0.000 0.252 256 L C -0.091 176.898 176.870 0.199 0.000 1.054 256 L CA -1.552 53.395 54.840 0.179 0.000 0.856 256 L CB 0.839 42.987 42.059 0.148 0.000 1.443 256 L HN -0.138 nan 8.230 nan 0.000 0.427 257 F N 1.569 121.566 119.950 0.078 0.000 2.602 257 F HA 0.246 4.795 4.527 0.036 0.000 0.385 257 F C -0.426 175.332 175.800 -0.069 0.000 1.063 257 F CA 0.125 58.132 58.000 0.011 0.000 1.233 257 F CB 0.462 39.400 39.000 -0.103 0.000 1.067 257 F HN -0.061 nan 8.300 nan 0.000 0.564 258 V N 7.009 126.629 119.914 -0.490 0.000 2.483 258 V HA 0.314 4.456 4.120 0.037 0.000 0.297 258 V C -0.613 175.052 176.094 -0.716 0.000 1.027 258 V CA -0.727 61.306 62.300 -0.445 0.000 0.855 258 V CB 1.438 33.134 31.823 -0.211 0.000 0.995 258 V HN 0.787 nan 8.190 nan 0.000 0.424 259 Q N 3.367 122.794 119.800 -0.621 0.000 2.353 259 Q HA 0.502 4.864 4.340 0.037 0.000 0.268 259 Q C -0.928 174.972 176.000 -0.167 0.000 1.045 259 Q CA -0.655 54.883 55.803 -0.443 0.000 0.811 259 Q CB 2.155 30.646 28.738 -0.412 0.000 1.305 259 Q HN 0.739 nan 8.270 nan 0.000 0.447 260 Q N 2.869 122.609 119.800 -0.100 0.000 2.571 260 Q HA 0.220 4.582 4.340 0.037 0.000 0.222 260 Q C 0.875 176.897 176.000 0.037 0.000 1.167 260 Q CA -0.081 55.708 55.803 -0.022 0.000 0.966 260 Q CB 1.036 29.759 28.738 -0.025 0.000 1.274 260 Q HN 1.011 nan 8.270 nan 0.000 0.552 261 G N 1.872 110.708 108.800 0.060 0.000 2.432 261 G HA2 -0.265 3.717 3.960 0.037 0.000 0.219 261 G HA3 -0.265 3.717 3.960 0.037 0.000 0.219 261 G C 1.397 176.387 174.900 0.150 0.000 1.135 261 G CA 0.371 45.542 45.100 0.118 0.000 0.767 261 G HN 0.436 nan 8.290 nan 0.000 0.550 262 R N 0.281 120.844 120.500 0.105 0.000 2.092 262 R HA 0.028 4.390 4.340 0.037 0.000 0.231 262 R C 2.586 178.963 176.300 0.129 0.000 1.119 262 R CA 1.239 57.395 56.100 0.092 0.000 0.970 262 R CB -0.190 30.135 30.300 0.041 0.000 0.864 262 R HN 0.301 nan 8.270 nan 0.000 0.440 263 K N 0.261 120.727 120.400 0.110 0.000 2.057 263 K HA -0.057 4.285 4.320 0.037 0.000 0.206 263 K C 2.091 178.786 176.600 0.159 0.000 1.050 263 K CA 1.144 57.503 56.287 0.120 0.000 0.935 263 K CB -0.087 32.468 32.500 0.092 0.000 0.715 263 K HN -0.032 nan 8.250 nan 0.000 0.439 264 V N 1.226 121.240 119.914 0.166 0.000 2.287 264 V HA -0.258 3.884 4.120 0.037 0.000 0.248 264 V C 1.963 178.099 176.094 0.069 0.000 1.053 264 V CA 1.745 64.118 62.300 0.122 0.000 1.027 264 V CB -0.490 31.412 31.823 0.133 0.000 0.646 264 V HN 0.222 nan 8.190 nan 0.000 0.447 265 F N 0.791 120.747 119.950 0.010 0.000 2.095 265 F HA -0.221 4.329 4.527 0.037 0.000 0.298 265 F C 2.467 178.250 175.800 -0.029 0.000 1.104 265 F CA 1.968 59.965 58.000 -0.005 0.000 1.232 265 F CB -0.075 38.936 39.000 0.018 0.000 0.987 265 F HN 0.018 nan 8.300 nan 0.000 0.475 266 K N -0.261 120.304 120.400 0.275 0.000 2.097 266 K HA -0.151 4.191 4.320 0.037 0.000 0.205 266 K C 1.846 178.474 176.600 0.047 0.000 1.050 266 K CA 1.810 58.197 56.287 0.168 0.000 0.938 266 K CB -0.144 32.434 32.500 0.131 0.000 0.718 266 K HN 0.406 nan 8.250 nan 0.000 0.442 267 E N -0.127 120.080 120.200 0.011 0.000 2.166 267 E HA -0.037 4.335 4.350 0.037 0.000 0.192 267 E C 1.905 178.384 176.600 -0.202 0.000 0.967 267 E CA 0.368 56.747 56.400 -0.035 0.000 0.840 267 E CB 0.394 30.151 29.700 0.095 0.000 0.795 267 E HN -0.036 nan 8.360 nan 0.000 0.470 268 V N 0.964 120.672 119.914 -0.344 0.000 2.591 268 V HA -0.160 3.982 4.120 0.037 0.000 0.249 268 V C 2.237 178.077 176.094 -0.424 0.000 1.053 268 V CA 0.885 62.898 62.300 -0.479 0.000 1.068 268 V CB -0.024 31.478 31.823 -0.536 0.000 0.689 268 V HN 0.102 nan 8.190 nan 0.000 0.462 269 V N 1.335 121.017 119.914 -0.386 0.000 2.255 269 V HA -0.160 3.981 4.120 0.037 0.000 0.247 269 V C 0.278 176.205 176.094 -0.280 0.000 1.051 269 V CA 2.807 64.868 62.300 -0.397 0.000 1.018 269 V CB -1.724 29.863 31.823 -0.394 0.000 0.641 269 V HN 0.533 nan 8.190 nan 0.000 0.445 270 P HA -0.120 nan 4.420 nan 0.000 0.220 270 P C 2.020 179.246 177.300 -0.125 0.000 1.152 270 P CA 1.261 64.288 63.100 -0.122 0.000 0.812 270 P CB 0.037 31.697 31.700 -0.067 0.000 0.792 271 L N -0.172 120.960 121.223 -0.151 0.000 2.012 271 L HA -0.151 4.211 4.340 0.037 0.000 0.210 271 L C 2.368 179.153 176.870 -0.141 0.000 1.073 271 L CA 1.708 56.474 54.840 -0.124 0.000 0.748 271 L CB -0.654 41.319 42.059 -0.144 0.000 0.891 271 L HN -0.200 nan 8.230 nan 0.000 0.431 272 V N -0.238 119.526 119.914 -0.249 0.000 2.307 272 V HA -0.243 3.899 4.120 0.037 0.000 0.245 272 V C 2.782 178.769 176.094 -0.178 0.000 1.045 272 V CA 1.756 63.890 62.300 -0.277 0.000 1.024 272 V CB -0.500 30.939 31.823 -0.641 0.000 0.651 272 V HN 0.745 nan 8.190 nan 0.000 0.449 273 S N -0.424 115.167 115.700 -0.181 0.000 2.368 273 S HA -0.143 4.349 4.470 0.037 0.000 0.225 273 S C 0.975 175.554 174.600 -0.036 0.000 1.030 273 S CA 0.653 58.796 58.200 -0.095 0.000 0.999 273 S CB -0.438 62.707 63.200 -0.091 0.000 0.844 273 S HN 0.719 nan 8.310 nan 0.000 0.459 277 I N 1.926 122.572 120.570 0.127 0.000 2.315 277 I HA -0.231 3.961 4.170 0.037 0.000 0.248 277 I C 2.435 178.588 176.117 0.060 0.000 1.117 277 I CA 1.897 63.244 61.300 0.078 0.000 1.404 277 I CB -0.133 37.891 38.000 0.040 0.000 1.071 277 I HN 0.342 nan 8.210 nan 0.000 0.419 278 E N 0.638 120.885 120.200 0.079 0.000 2.072 278 E HA -0.302 4.070 4.350 0.037 0.000 0.191 278 E C 2.228 178.899 176.600 0.118 0.000 0.985 278 E CA 1.338 57.781 56.400 0.070 0.000 0.801 278 E CB -0.194 29.542 29.700 0.061 0.000 0.750 278 E HN 0.602 nan 8.360 nan 0.000 0.452 279 H N -0.492 118.617 119.070 0.064 0.000 2.321 279 H HA -0.088 4.489 4.556 0.035 0.000 0.300 279 H C 2.016 177.306 175.328 -0.064 0.000 1.087 279 H CA 1.167 57.262 56.048 0.079 0.000 1.319 279 H CB 0.065 29.973 29.762 0.244 0.000 1.379 279 H HN 0.297 nan 8.280 nan 0.000 0.501 280 A N 1.429 124.135 122.820 -0.190 0.000 1.892 280 A HA -0.234 4.108 4.320 0.037 0.000 0.218 280 A C 2.475 179.861 177.584 -0.329 0.000 1.188 280 A CA 1.784 53.486 52.037 -0.558 0.000 0.631 280 A CB -0.607 18.202 19.000 -0.319 0.000 0.822 280 A HN 0.463 nan 8.150 nan 0.000 0.447 281 R N -0.566 119.840 120.500 -0.157 0.000 2.081 281 R HA -0.138 4.224 4.340 0.037 0.000 0.235 281 R C 2.168 178.411 176.300 -0.095 0.000 1.131 281 R CA 1.567 57.600 56.100 -0.113 0.000 0.960 281 R CB -0.358 29.903 30.300 -0.064 0.000 0.856 281 R HN 0.701 nan 8.270 nan 0.000 0.436 282 E N 0.577 120.744 120.200 -0.056 0.000 2.118 282 E HA -0.195 4.177 4.350 0.037 0.000 0.195 282 E C 1.729 178.293 176.600 -0.060 0.000 0.992 282 E CA 1.453 57.842 56.400 -0.019 0.000 0.804 282 E CB -0.096 29.649 29.700 0.076 0.000 0.741 282 E HN 0.522 nan 8.360 nan 0.000 0.458 283 I N -4.062 116.416 120.570 -0.152 0.000 3.928 283 I HA 0.392 4.584 4.170 0.037 0.000 0.335 283 I C 0.947 176.952 176.117 -0.187 0.000 1.325 283 I CA 0.291 61.487 61.300 -0.174 0.000 1.107 283 I CB 0.418 38.276 38.000 -0.236 0.000 1.014 283 I HN 0.084 nan 8.210 nan 0.000 0.400 284 G N 2.486 111.180 108.800 -0.176 0.000 2.160 284 G HA2 -0.237 3.745 3.960 0.037 0.000 0.244 284 G HA3 -0.237 3.745 3.960 0.037 0.000 0.244 284 G C -0.085 174.714 174.900 -0.168 0.000 1.022 284 G CA 0.141 45.157 45.100 -0.141 0.000 0.741 284 G HN 0.504 nan 8.290 nan 0.000 0.508 285 I N 0.616 121.031 120.570 -0.259 0.000 2.359 285 I HA 0.263 4.455 4.170 0.037 0.000 0.294 285 I C -0.046 175.950 176.117 -0.203 0.000 0.987 285 I CA -0.804 60.341 61.300 -0.258 0.000 1.225 285 I CB 1.422 39.144 38.000 -0.463 0.000 1.366 285 I HN 0.051 nan 8.210 nan 0.000 0.466 286 D N 9.256 129.580 120.400 -0.127 0.000 2.338 286 D HA 0.126 4.788 4.640 0.037 0.000 0.255 286 D C -1.427 174.837 176.300 -0.061 0.000 1.237 286 D CA -2.204 51.729 54.000 -0.112 0.000 0.883 286 D CB 1.220 41.977 40.800 -0.073 0.000 1.087 286 D HN 0.219 nan 8.370 nan 0.000 0.485 287 P HA -0.163 nan 4.420 nan 0.000 0.219 287 P C 0.814 178.212 177.300 0.163 0.000 1.146 287 P CA 1.233 64.375 63.100 0.070 0.000 0.808 287 P CB -0.004 31.744 31.700 0.080 0.000 0.779 288 H N -0.925 118.152 119.070 0.012 0.000 2.521 288 H HA 0.047 4.625 4.556 0.037 0.000 0.286 288 H C 1.955 177.287 175.328 0.007 0.000 1.034 288 H CA 0.521 56.573 56.048 0.006 0.000 1.278 288 H CB -0.220 29.542 29.762 -0.000 0.000 1.386 288 H HN 0.238 nan 8.280 nan 0.000 0.567 289 G N 0.379 109.254 108.800 0.126 0.000 3.088 289 G HA2 0.128 4.110 3.960 0.037 0.000 0.217 289 G HA3 0.128 4.110 3.960 0.037 0.000 0.217 289 G C 0.355 175.296 174.900 0.069 0.000 1.159 289 G CA -0.331 44.815 45.100 0.077 0.000 0.760 289 G HN 0.099 nan 8.290 nan 0.000 0.550 290 L N 0.600 121.871 121.223 0.081 0.000 2.490 290 L HA 0.123 4.485 4.340 0.037 0.000 0.274 290 L C 1.849 178.733 176.870 0.023 0.000 1.201 290 L CA -0.502 54.381 54.840 0.070 0.000 0.869 290 L CB 1.039 43.141 42.059 0.073 0.000 1.123 290 L HN 0.036 nan 8.230 nan 0.000 0.484 291 K N 2.919 123.333 120.400 0.023 0.000 2.116 291 K HA 0.060 4.401 4.320 0.037 0.000 0.203 291 K C 0.645 177.185 176.600 -0.100 0.000 1.052 291 K CA 1.208 57.494 56.287 -0.002 0.000 0.952 291 K CB 0.270 32.807 32.500 0.063 0.000 0.729 291 K HN 0.611 nan 8.250 nan 0.000 0.446 295 L N 0.670 121.980 121.223 0.144 0.000 2.479 295 L HA 0.379 4.741 4.340 0.037 0.000 0.249 295 L C 1.250 178.122 176.870 0.004 0.000 1.178 295 L CA -0.916 54.006 54.840 0.137 0.000 0.811 295 L CB 0.209 42.407 42.059 0.233 0.000 1.187 295 L HN 0.183 nan 8.230 nan 0.000 0.480 296 H N 0.920 119.759 119.070 -0.384 0.000 2.998 296 H HA -0.041 4.537 4.556 0.036 0.000 0.353 296 H C -0.512 174.635 175.328 -0.303 0.000 1.099 296 H CA 0.660 56.351 56.048 -0.596 0.000 1.393 296 H CB 0.572 29.412 29.762 -1.536 0.000 1.343 296 H HN 0.288 nan 8.280 nan 0.000 0.609 297 Q N 3.650 123.029 119.800 -0.701 0.000 2.788 297 Q HA 0.375 4.737 4.340 0.037 0.000 0.285 297 Q C -0.319 175.498 176.000 -0.304 0.000 1.063 297 Q CA 0.186 55.783 55.803 -0.343 0.000 0.958 297 Q CB 1.400 30.004 28.738 -0.224 0.000 1.211 297 Q HN 0.749 nan 8.270 nan 0.000 0.478 298 A N 1.264 123.990 122.820 -0.156 0.000 1.977 298 A HA 0.178 4.520 4.320 0.037 0.000 0.197 298 A C 0.466 178.091 177.584 0.068 0.000 1.554 298 A CA 0.145 52.177 52.037 -0.009 0.000 1.037 298 A CB 0.687 19.762 19.000 0.126 0.000 1.083 298 A HN 0.342 nan 8.150 nan 0.000 0.471 299 N N -0.323 118.435 118.700 0.097 0.000 2.599 299 N HA 0.205 4.967 4.740 0.037 0.000 0.283 299 N C -0.033 175.540 175.510 0.105 0.000 1.160 299 N CA -0.417 52.705 53.050 0.120 0.000 0.869 299 N CB 1.060 39.648 38.487 0.169 0.000 1.448 299 N HN 0.181 nan 8.380 nan 0.000 0.535 300 I N 2.466 123.081 120.570 0.075 0.000 2.315 300 I HA -0.215 3.977 4.170 0.037 0.000 0.251 300 I C 0.372 176.535 176.117 0.077 0.000 1.125 300 I CA 1.006 62.342 61.300 0.060 0.000 1.392 300 I CB 0.106 38.126 38.000 0.034 0.000 1.065 300 I HN 0.520 nan 8.210 nan 0.000 0.424 304 E N 1.198 121.409 120.200 0.018 0.000 2.072 304 E HA 0.024 4.396 4.350 0.037 0.000 0.191 304 E C 1.422 178.019 176.600 -0.005 0.000 0.985 304 E CA 0.994 57.400 56.400 0.010 0.000 0.801 304 E CB 0.235 29.950 29.700 0.025 0.000 0.750 304 E HN 0.375 nan 8.360 nan 0.000 0.452 305 I N 1.133 121.692 120.570 -0.017 0.000 2.233 305 I HA -0.232 3.960 4.170 0.037 0.000 0.243 305 I C 2.497 178.576 176.117 -0.064 0.000 1.093 305 I CA 0.918 62.198 61.300 -0.032 0.000 1.380 305 I CB -0.204 37.773 38.000 -0.037 0.000 1.067 305 I HN 0.021 nan 8.210 nan 0.000 0.413 306 I N 0.788 121.296 120.570 -0.104 0.000 2.179 306 I HA -0.232 3.960 4.170 0.037 0.000 0.242 306 I C 2.686 178.770 176.117 -0.054 0.000 1.088 306 I CA 1.745 62.975 61.300 -0.117 0.000 1.357 306 I CB -0.936 36.950 38.000 -0.191 0.000 1.051 306 I HN 0.269 nan 8.210 nan 0.000 0.409 307 G N 0.397 109.178 108.800 -0.031 0.000 2.440 307 G HA2 -0.272 3.710 3.960 0.037 0.000 0.218 307 G HA3 -0.272 3.710 3.960 0.037 0.000 0.218 307 G C 1.819 176.706 174.900 -0.021 0.000 1.154 307 G CA 0.513 45.601 45.100 -0.020 0.000 0.767 307 G HN 0.251 nan 8.290 nan 0.000 0.552 308 R N 0.448 120.934 120.500 -0.024 0.000 2.092 308 R HA -0.035 4.327 4.340 0.037 0.000 0.231 308 R C 2.437 178.726 176.300 -0.019 0.000 1.119 308 R CA 1.152 57.236 56.100 -0.026 0.000 0.970 308 R CB -0.171 30.117 30.300 -0.021 0.000 0.864 308 R HN 0.196 nan 8.270 nan 0.000 0.440 309 K N 0.074 120.467 120.400 -0.012 0.000 2.057 309 K HA -0.077 4.265 4.320 0.037 0.000 0.206 309 K C 2.093 178.719 176.600 0.044 0.000 1.050 309 K CA 1.162 57.453 56.287 0.007 0.000 0.935 309 K CB -0.205 32.288 32.500 -0.012 0.000 0.715 309 K HN 0.092 nan 8.250 nan 0.000 0.439 310 V N 1.823 121.760 119.914 0.039 0.000 2.307 310 V HA -0.179 3.963 4.120 0.037 0.000 0.245 310 V C 2.277 178.460 176.094 0.149 0.000 1.045 310 V CA 1.452 63.804 62.300 0.086 0.000 1.024 310 V CB -0.326 31.534 31.823 0.060 0.000 0.651 310 V HN 0.220 nan 8.190 nan 0.000 0.449 311 L N -0.036 121.222 121.223 0.057 0.000 2.446 311 L HA 0.263 4.625 4.340 0.037 0.000 0.219 311 L C 1.821 178.534 176.870 -0.262 0.000 1.116 311 L CA 0.903 55.740 54.840 -0.005 0.000 0.844 311 L CB -0.495 41.538 42.059 -0.044 0.000 0.970 311 L HN 0.581 nan 8.230 nan 0.000 0.457 312 G N 1.621 110.299 108.800 -0.204 0.000 2.143 312 G HA2 -0.290 3.692 3.960 0.037 0.000 0.248 312 G HA3 -0.290 3.692 3.960 0.037 0.000 0.248 312 G C 0.267 175.039 174.900 -0.213 0.000 0.991 312 G CA 0.625 45.545 45.100 -0.301 0.000 0.689 312 G HN 0.561 nan 8.290 nan 0.000 0.522 313 R N -1.691 118.723 120.500 -0.143 0.000 2.728 313 R HA 0.475 4.837 4.340 0.037 0.000 0.274 313 R C -1.899 174.362 176.300 -0.065 0.000 1.032 313 R CA -1.071 54.971 56.100 -0.097 0.000 0.866 313 R CB 0.302 30.538 30.300 -0.105 0.000 1.263 313 R HN -0.069 nan 8.270 nan 0.000 0.475 314 D N 2.817 123.189 120.400 -0.047 0.000 2.382 314 D HA 0.191 4.853 4.640 0.037 0.000 0.259 314 D C -2.057 174.220 176.300 -0.038 0.000 1.224 314 D CA -0.815 53.164 54.000 -0.034 0.000 0.894 314 D CB 0.832 41.616 40.800 -0.025 0.000 1.127 314 D HN 0.223 nan 8.370 nan 0.000 0.487 315 P HA 0.080 nan 4.420 nan 0.000 0.275 315 P C 0.150 177.427 177.300 -0.040 0.000 1.228 315 P CA -0.445 62.629 63.100 -0.043 0.000 0.786 315 P CB 0.545 32.218 31.700 -0.046 0.000 0.927 316 T N -0.352 114.176 114.554 -0.043 0.000 2.828 316 T HA 0.185 4.557 4.350 0.037 0.000 0.290 316 T C 1.273 175.942 174.700 -0.051 0.000 1.019 316 T CA -0.385 61.691 62.100 -0.040 0.000 1.031 316 T CB 0.728 69.575 68.868 -0.035 0.000 1.001 316 T HN 0.127 nan 8.240 nan 0.000 0.531 317 R N 0.557 121.029 120.500 -0.047 0.000 2.120 317 R HA -0.063 4.298 4.340 0.037 0.000 0.234 317 R C 1.698 177.945 176.300 -0.089 0.000 1.123 317 R CA 1.510 57.572 56.100 -0.063 0.000 0.975 317 R CB -1.215 29.054 30.300 -0.052 0.000 0.866 317 R HN 0.769 nan 8.270 nan 0.000 0.446 318 D N 0.431 120.790 120.400 -0.069 0.000 2.117 318 D HA -0.184 4.478 4.640 0.037 0.000 0.197 318 D C 1.425 177.665 176.300 -0.100 0.000 0.987 318 D CA 1.758 55.718 54.000 -0.068 0.000 0.829 318 D CB -0.085 40.697 40.800 -0.030 0.000 0.961 318 D HN 0.678 nan 8.370 nan 0.000 0.460 319 E N -0.404 119.733 120.200 -0.104 0.000 2.474 319 E HA -0.066 4.306 4.350 0.037 0.000 0.194 319 E C 0.225 176.714 176.600 -0.185 0.000 1.041 319 E CA 0.043 56.355 56.400 -0.146 0.000 0.874 319 E CB 0.104 29.742 29.700 -0.103 0.000 0.914 319 E HN -0.078 nan 8.360 nan 0.000 0.498 320 N N 1.092 119.706 118.700 -0.144 0.000 2.690 320 N HA 0.142 4.904 4.740 0.037 0.000 0.255 320 N C -1.487 173.961 175.510 -0.102 0.000 1.195 320 N CA -0.456 52.522 53.050 -0.120 0.000 0.790 320 N CB 1.547 39.992 38.487 -0.070 0.000 1.216 320 N HN -0.106 nan 8.380 nan 0.000 0.528 321 V N 3.235 123.078 119.914 -0.118 0.000 2.740 321 V HA 0.251 4.393 4.120 0.037 0.000 0.303 321 V C 0.404 176.478 176.094 -0.035 0.000 1.054 321 V CA -0.028 62.216 62.300 -0.094 0.000 1.106 321 V CB 0.689 32.532 31.823 0.033 0.000 0.957 321 V HN 0.419 nan 8.190 nan 0.000 0.486 322 I N 6.174 126.707 120.570 -0.061 0.000 2.439 322 I HA 0.306 4.498 4.170 0.037 0.000 0.285 322 I C 0.223 176.366 176.117 0.042 0.000 1.021 322 I CA -0.118 61.180 61.300 -0.003 0.000 1.091 322 I CB 1.601 39.596 38.000 -0.008 0.000 1.242 322 I HN 0.699 nan 8.210 nan 0.000 0.439 323 I N 4.182 124.806 120.570 0.090 0.000 4.154 323 I HA 0.106 4.298 4.170 0.037 0.000 0.334 323 I C 1.492 177.738 176.117 0.215 0.000 1.371 323 I CA 0.263 61.674 61.300 0.186 0.000 1.110 323 I CB -0.464 37.644 38.000 0.180 0.000 1.085 323 I HN 0.398 nan 8.210 nan 0.000 0.398 324 L N 0.381 121.668 121.223 0.107 0.000 2.362 324 L HA 0.031 4.393 4.340 0.037 0.000 0.219 324 L C 1.813 178.728 176.870 0.075 0.000 1.134 324 L CA 1.619 56.512 54.840 0.089 0.000 0.807 324 L CB -1.523 40.551 42.059 0.024 0.000 0.927 324 L HN 0.294 nan 8.230 nan 0.000 0.447 325 D N -0.283 120.156 120.400 0.064 0.000 2.149 325 D HA -0.236 4.426 4.640 0.037 0.000 0.198 325 D C 1.309 177.602 176.300 -0.011 0.000 0.990 325 D CA 1.723 55.735 54.000 0.021 0.000 0.839 325 D CB -0.477 40.332 40.800 0.015 0.000 0.948 325 D HN 0.458 nan 8.370 nan 0.000 0.460 326 D N -1.069 119.348 120.400 0.030 0.000 2.262 326 D HA -0.017 4.645 4.640 0.037 0.000 0.212 326 D C 1.443 177.586 176.300 -0.261 0.000 0.964 326 D CA 0.542 54.466 54.000 -0.128 0.000 0.875 326 D CB -0.285 40.491 40.800 -0.041 0.000 0.996 326 D HN 0.331 nan 8.370 nan 0.000 0.497 327 Y N 0.857 121.181 120.300 0.041 0.000 2.462 327 Y HA 0.397 4.969 4.550 0.037 0.000 0.261 327 Y C 1.398 177.310 175.900 0.020 0.000 1.146 327 Y CA 0.216 58.380 58.100 0.108 0.000 1.283 327 Y CB 0.281 38.818 38.460 0.129 0.000 1.090 327 Y HN -0.076 nan 8.280 nan 0.000 0.526 328 A N 1.004 123.884 122.820 0.100 0.000 5.938 328 A HA -0.361 3.981 4.320 0.037 0.000 0.284 328 A C 0.094 177.715 177.584 0.062 0.000 1.994 328 A CA 1.003 53.076 52.037 0.060 0.000 0.717 328 A CB -1.504 17.514 19.000 0.031 0.000 1.191 328 A HN 0.461 nan 8.150 nan 0.000 0.377 329 N N 0.341 119.067 118.700 0.044 0.000 2.414 329 N HA 0.446 5.208 4.740 0.037 0.000 0.256 329 N C 0.640 176.177 175.510 0.044 0.000 1.029 329 N CA 0.626 53.694 53.050 0.030 0.000 0.948 329 N CB 0.638 39.170 38.487 0.075 0.000 1.102 329 N HN 1.043 nan 8.380 nan 0.000 0.496 330 T N 0.386 114.899 114.554 -0.069 0.000 3.214 330 T HA 0.215 4.587 4.350 0.037 0.000 0.264 330 T C 0.889 175.487 174.700 -0.170 0.000 1.012 330 T CA 0.106 62.123 62.100 -0.137 0.000 0.901 330 T CB -0.390 68.427 68.868 -0.084 0.000 1.070 330 T HN 0.459 nan 8.240 nan 0.000 0.561 331 S N 2.310 117.956 115.700 -0.090 0.000 4.112 331 S HA -0.365 4.127 4.470 0.037 0.000 0.602 331 S C 1.854 176.483 174.600 0.047 0.000 1.939 331 S CA 3.072 61.301 58.200 0.048 0.000 4.230 331 S CB -1.749 61.428 63.200 -0.039 0.000 0.245 331 S HN 1.412 nan 8.310 nan 0.000 0.530 332 S N 1.847 117.552 115.700 0.008 0.000 2.400 332 S HA 0.024 4.516 4.470 0.037 0.000 0.232 332 S C 1.990 176.561 174.600 -0.049 0.000 1.025 332 S CA 2.122 60.319 58.200 -0.005 0.000 0.993 332 S CB -1.063 62.117 63.200 -0.035 0.000 0.808 332 S HN 1.644 nan 8.310 nan 0.000 0.478 333 A N 1.381 124.146 122.820 -0.092 0.000 2.119 333 A HA 0.418 4.760 4.320 0.037 0.000 0.216 333 A C 2.266 179.751 177.584 -0.165 0.000 1.152 333 A CA 0.963 52.924 52.037 -0.126 0.000 0.708 333 A CB -1.468 17.453 19.000 -0.133 0.000 0.805 333 A HN 0.635 nan 8.150 nan 0.000 0.460 334 G N 0.766 109.446 108.800 -0.200 0.000 2.459 334 G HA2 -0.280 3.702 3.960 0.037 0.000 0.217 334 G HA3 -0.280 3.702 3.960 0.037 0.000 0.217 334 G C 1.980 176.766 174.900 -0.190 0.000 1.183 334 G CA 1.800 46.748 45.100 -0.253 0.000 0.776 334 G HN 0.833 nan 8.290 nan 0.000 0.552 335 S N 0.601 116.211 115.700 -0.149 0.000 2.399 335 S HA -0.058 4.434 4.470 0.037 0.000 0.231 335 S C 2.237 176.804 174.600 -0.054 0.000 1.022 335 S CA 1.123 59.289 58.200 -0.056 0.000 0.983 335 S CB -0.207 62.976 63.200 -0.029 0.000 0.803 335 S HN 0.180 nan 8.310 nan 0.000 0.480 336 I N 2.169 122.680 120.570 -0.099 0.000 2.353 336 I HA -0.010 4.182 4.170 0.037 0.000 0.248 336 I C 2.391 178.456 176.117 -0.086 0.000 1.119 336 I CA 0.607 61.855 61.300 -0.087 0.000 1.417 336 I CB -1.355 36.581 38.000 -0.106 0.000 1.078 336 I HN 0.321 nan 8.210 nan 0.000 0.421 337 I N 1.345 121.815 120.570 -0.167 0.000 2.163 337 I HA -0.278 3.914 4.170 0.037 0.000 0.243 337 I C 2.817 178.873 176.117 -0.101 0.000 1.085 337 I CA 1.485 62.644 61.300 -0.235 0.000 1.347 337 I CB -0.557 37.151 38.000 -0.487 0.000 1.044 337 I HN 0.122 nan 8.210 nan 0.000 0.408 338 A N 0.856 123.662 122.820 -0.023 0.000 1.883 338 A HA -0.268 4.074 4.320 0.037 0.000 0.217 338 A C 2.270 179.905 177.584 0.085 0.000 1.186 338 A CA 1.693 53.835 52.037 0.175 0.000 0.624 338 A CB -1.051 18.110 19.000 0.269 0.000 0.822 338 A HN 0.460 nan 8.150 nan 0.000 0.444 339 F N 0.270 119.920 119.950 -0.501 0.000 2.095 339 F HA -0.211 4.338 4.527 0.036 0.000 0.298 339 F C 2.200 177.590 175.800 -0.683 0.000 1.104 339 F CA 2.369 59.603 58.000 -1.277 0.000 1.232 339 F CB -0.794 37.487 39.000 -1.197 0.000 0.987 339 F HN 0.505 nan 8.300 nan 0.000 0.475 340 H N 0.078 118.812 119.070 -0.561 0.000 2.353 340 H HA -0.090 4.488 4.556 0.036 0.000 0.300 340 H C 1.997 177.082 175.328 -0.405 0.000 1.090 340 H CA 2.287 58.031 56.048 -0.506 0.000 1.327 340 H CB -0.121 29.473 29.762 -0.280 0.000 1.383 340 H HN 0.262 nan 8.280 nan 0.000 0.508 341 K N -0.974 119.279 120.400 -0.246 0.000 2.361 341 K HA 0.011 4.353 4.320 0.037 0.000 0.196 341 K C -0.156 176.092 176.600 -0.587 0.000 1.039 341 K CA 0.383 56.450 56.287 -0.367 0.000 1.001 341 K CB 0.505 32.841 32.500 -0.274 0.000 0.795 341 K HN 0.458 nan 8.250 nan 0.000 0.495 342 H N 0.691 119.734 119.070 -0.045 0.000 2.439 342 H HA 0.104 4.682 4.556 0.036 0.000 0.228 342 H C 0.057 175.536 175.328 0.252 0.000 1.423 342 H CA 0.011 56.139 56.048 0.133 0.000 1.386 342 H CB 0.625 30.535 29.762 0.245 0.000 1.641 342 H HN 0.296 nan 8.280 nan 0.000 0.508 343 Q N -1.449 118.431 119.800 0.132 0.000 1.985 343 Q HA 0.088 4.450 4.340 0.037 0.000 0.221 343 Q C -0.050 176.096 176.000 0.243 0.000 0.728 343 Q CA -0.169 55.777 55.803 0.239 0.000 0.882 343 Q CB 0.458 29.126 28.738 -0.116 0.000 1.203 343 Q HN -0.079 nan 8.270 nan 0.000 0.441 344 D N 2.667 123.124 120.400 0.095 0.000 2.264 344 D HA -0.096 4.566 4.640 0.037 0.000 0.208 344 D C 0.328 176.681 176.300 0.089 0.000 0.966 344 D CA 1.384 55.425 54.000 0.067 0.000 0.864 344 D CB 0.028 40.826 40.800 -0.004 0.000 0.933 344 D HN 0.568 nan 8.370 nan 0.000 0.499 348 Q N 0.310 120.078 119.800 -0.054 0.000 2.283 348 Q HA 0.349 4.711 4.340 0.037 0.000 0.301 348 Q C 1.306 177.280 176.000 -0.045 0.000 1.063 348 Q CA 2.244 57.997 55.803 -0.084 0.000 0.952 348 Q CB 0.176 28.873 28.738 -0.069 0.000 1.166 348 Q HN 2.463 nan 8.270 nan 0.000 0.381 349 G N 3.503 112.273 108.800 -0.050 0.000 2.234 349 G HA2 -0.214 3.768 3.960 0.037 0.000 0.235 349 G HA3 -0.214 3.768 3.960 0.037 0.000 0.235 349 G C -0.365 174.563 174.900 0.047 0.000 0.997 349 G CA 0.042 45.142 45.100 0.000 0.000 0.623 349 G HN 0.714 nan 8.290 nan 0.000 0.514 350 D N 0.829 121.268 120.400 0.065 0.000 2.443 350 D HA 0.416 5.078 4.640 0.037 0.000 0.239 350 D C 1.040 177.485 176.300 0.241 0.000 1.136 350 D CA 0.289 54.373 54.000 0.141 0.000 0.879 350 D CB 0.692 41.598 40.800 0.177 0.000 1.195 350 D HN 0.368 nan 8.370 nan 0.000 0.443 351 L N 1.402 122.758 121.223 0.221 0.000 2.307 351 L HA 0.601 4.963 4.340 0.037 0.000 0.282 351 L C 1.064 178.100 176.870 0.276 0.000 1.051 351 L CA -0.451 54.550 54.840 0.269 0.000 0.804 351 L CB 1.574 43.746 42.059 0.188 0.000 1.197 351 L HN 0.320 nan 8.230 nan 0.000 0.431 352 G N 2.368 111.385 108.800 0.361 0.000 2.730 352 G HA2 0.691 4.673 3.960 0.037 0.000 0.289 352 G HA3 0.691 4.673 3.960 0.037 0.000 0.289 352 G C -2.052 172.957 174.900 0.182 0.000 1.341 352 G CA -0.497 44.715 45.100 0.187 0.000 0.932 352 G HN 0.360 nan 8.290 nan 0.000 0.481 353 L N 0.302 121.531 121.223 0.009 0.000 2.439 353 L HA 0.664 5.026 4.340 0.037 0.000 0.270 353 L C -1.031 175.878 176.870 0.065 0.000 0.972 353 L CA -0.644 54.105 54.840 -0.151 0.000 0.836 353 L CB 1.541 43.391 42.059 -0.349 0.000 1.255 353 L HN 0.439 nan 8.230 nan 0.000 0.404 354 I N 4.939 125.501 120.570 -0.013 0.000 2.315 354 I HA 0.436 4.628 4.170 0.037 0.000 0.291 354 I C -0.556 175.527 176.117 -0.057 0.000 1.006 354 I CA -0.435 60.859 61.300 -0.010 0.000 1.265 354 I CB 1.388 39.238 38.000 -0.250 0.000 1.387 354 I HN 0.683 nan 8.210 nan 0.000 0.475 355 C N 6.011 125.326 119.300 0.025 0.000 2.516 355 C HA 0.685 5.167 4.460 0.037 0.000 0.338 355 C C 0.090 175.144 174.990 0.107 0.000 1.132 355 C CA -0.295 58.768 59.018 0.076 0.000 1.310 355 C CB 0.699 28.509 27.740 0.116 0.000 1.898 355 C HN 0.882 nan 8.230 nan 0.000 0.452 356 S N 4.098 119.853 115.700 0.092 0.000 2.621 356 S HA 0.981 5.473 4.470 0.037 0.000 0.302 356 S C -0.902 173.685 174.600 -0.023 0.000 1.093 356 S CA -0.505 57.666 58.200 -0.048 0.000 1.017 356 S CB 1.502 64.715 63.200 0.022 0.000 1.077 356 S HN 1.373 nan 8.310 nan 0.000 0.517 357 F N -2.041 117.691 119.950 -0.363 0.000 2.690 357 F HA 0.857 5.406 4.527 0.036 0.000 0.311 357 F C 0.112 175.556 175.800 -0.594 0.000 1.111 357 F CA -0.275 57.510 58.000 -0.359 0.000 1.003 357 F CB 1.035 39.893 39.000 -0.237 0.000 1.283 357 F HN 1.102 nan 8.300 nan 0.000 0.442 358 G N 0.567 109.298 108.800 -0.115 0.000 2.591 358 G HA2 0.562 4.544 3.960 0.037 0.000 0.104 358 G HA3 0.562 4.544 3.960 0.037 0.000 0.104 358 G C -1.113 173.853 174.900 0.109 0.000 1.097 358 G CA -0.105 44.964 45.100 -0.051 0.000 1.076 358 G HN 1.409 nan 8.290 nan 0.000 0.485 359 A N -0.216 122.682 122.820 0.130 0.000 2.540 359 A HA 0.592 4.934 4.320 0.037 0.000 0.239 359 A C 1.389 179.025 177.584 0.086 0.000 1.061 359 A CA 2.160 54.279 52.037 0.137 0.000 0.758 359 A CB -0.133 18.954 19.000 0.144 0.000 0.991 359 A HN 2.723 nan 8.150 nan 0.000 0.502 360 G N 0.807 109.632 108.800 0.041 0.000 4.083 360 G HA2 -0.073 3.909 3.960 0.037 0.000 0.179 360 G HA3 -0.073 3.909 3.960 0.037 0.000 0.179 360 G C 0.150 174.986 174.900 -0.107 0.000 2.061 360 G CA -0.166 44.942 45.100 0.013 0.000 1.122 360 G HN 0.677 nan 8.290 nan 0.000 0.350 361 Y N 2.546 122.805 120.300 -0.070 0.000 2.550 361 Y HA 0.393 4.965 4.550 0.036 0.000 0.343 361 Y C 1.124 177.033 175.900 0.014 0.000 1.245 361 Y CA 0.493 58.576 58.100 -0.028 0.000 1.462 361 Y CB 1.066 39.517 38.460 -0.016 0.000 1.340 361 Y HN 0.484 nan 8.280 nan 0.000 0.604 362 S N 0.980 116.794 115.700 0.190 0.000 2.569 362 S HA 0.935 5.427 4.470 0.037 0.000 0.280 362 S C -1.143 173.546 174.600 0.148 0.000 1.111 362 S CA -0.798 57.479 58.200 0.129 0.000 0.887 362 S CB 2.154 65.297 63.200 -0.094 0.000 1.095 362 S HN 0.923 nan 8.310 nan 0.000 0.476 363 A N 0.600 123.574 122.820 0.257 0.000 2.547 363 A HA 0.923 5.265 4.320 0.037 0.000 0.297 363 A C -0.296 177.476 177.584 0.313 0.000 1.056 363 A CA -0.379 51.803 52.037 0.242 0.000 0.688 363 A CB 1.333 20.418 19.000 0.141 0.000 1.282 363 A HN 1.792 nan 8.150 nan 0.000 0.400 364 G N 0.469 109.421 108.800 0.253 0.000 2.701 364 G HA2 0.704 4.686 3.960 0.037 0.000 0.300 364 G HA3 0.704 4.686 3.960 0.037 0.000 0.300 364 G C -0.637 174.308 174.900 0.076 0.000 1.410 364 G CA 0.067 45.256 45.100 0.149 0.000 1.014 364 G HN 1.363 nan 8.290 nan 0.000 0.509 365 T N -1.392 113.173 114.554 0.018 0.000 2.829 365 T HA 0.686 5.058 4.350 0.037 0.000 0.280 365 T C -0.789 173.917 174.700 0.010 0.000 0.999 365 T CA -0.838 61.262 62.100 0.000 0.000 0.983 365 T CB 1.997 70.928 68.868 0.106 0.000 0.968 365 T HN 0.574 nan 8.240 nan 0.000 0.446 366 V N 3.601 123.453 119.914 -0.103 0.000 2.419 366 V HA 0.425 4.567 4.120 0.037 0.000 0.287 366 V C -0.989 175.030 176.094 -0.126 0.000 1.017 366 V CA -0.887 61.386 62.300 -0.044 0.000 0.844 366 V CB 0.597 32.359 31.823 -0.102 0.000 1.011 366 V HN 0.892 nan 8.190 nan 0.000 0.429 367 F N 4.518 124.509 119.950 0.067 0.000 2.410 367 F HA 0.670 5.219 4.527 0.036 0.000 0.348 367 F C 0.417 176.269 175.800 0.087 0.000 1.106 367 F CA -0.309 57.720 58.000 0.049 0.000 1.163 367 F CB 1.780 40.757 39.000 -0.039 0.000 1.129 367 F HN 0.414 nan 8.300 nan 0.000 0.516 368 V N 1.111 121.223 119.914 0.329 0.000 3.040 368 V HA 0.690 4.832 4.120 0.037 0.000 0.312 368 V C -1.155 175.239 176.094 0.500 0.000 1.115 368 V CA -0.859 61.664 62.300 0.372 0.000 0.998 368 V CB 1.777 33.795 31.823 0.325 0.000 1.042 368 V HN 0.776 nan 8.190 nan 0.000 0.433 369 Q N 1.314 121.414 119.800 0.500 0.000 2.305 369 Q HA 0.451 4.813 4.340 0.037 0.000 0.271 369 Q C -1.014 175.087 176.000 0.169 0.000 1.046 369 Q CA -0.744 55.275 55.803 0.360 0.000 0.798 369 Q CB 2.430 31.279 28.738 0.184 0.000 1.286 369 Q HN 0.897 nan 8.270 nan 0.000 0.435 370 K N 3.391 123.692 120.400 -0.166 0.000 2.379 370 K HA 0.211 4.553 4.320 0.037 0.000 0.284 370 K C -0.412 175.939 176.600 -0.415 0.000 1.044 370 K CA -0.015 55.762 56.287 -0.849 0.000 0.974 370 K CB 0.624 32.562 32.500 -0.936 0.000 0.962 370 K HN 0.550 nan 8.250 nan 0.000 0.474 371 R N 0.000 120.254 120.500 -0.410 0.000 2.786 371 R HA 0.000 4.362 4.340 0.037 0.000 0.208 371 R CA 0.000 55.981 56.100 -0.198 0.000 0.921 371 R CB 0.000 30.228 30.300 -0.120 0.000 0.687 371 R HN 0.000 nan 8.270 nan 0.000 0.535