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 1iyz_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKAWVLKRLG GPLELVDLPE PEAEEGEVVL RVEAVGLNFA DHLMRLGAYL DATA SEQUENCE TRLHPPFIPG MEVVGVVEGR RYAALVPQGG LAERVAVPKG ALLPLPEGLS DATA SEQUENCE PEEAAAFPVS FLTAYLALKR AQARPGEKVL VQAAAGALGT AAVQVARAMG DATA SEQUENCE LRVLAAASRP EKLALPLALG AEEAATYAEV PERAKAWGGL DLVLEVRGKE DATA SEQUENCE VEESLGLLAH GGRLVYIGAA EXXXAPIPPL RLMRRNLAVL GFWLTPLLRE DATA SEQUENCE GALVEEALGF LLPRLGRELR PVVGPVFPFA EAEAAFRALL DRGHTGKVVV DATA SEQUENCE RL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.309 176.300 0.016 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.607 32.600 0.012 0.000 1.302 2 K N 1.140 121.552 120.400 0.021 0.000 2.174 2 K HA 0.953 5.273 4.320 0.000 0.000 0.275 2 K C -0.388 176.288 176.600 0.126 0.000 1.015 2 K CA -0.025 56.289 56.287 0.046 0.000 0.933 2 K CB 1.319 33.866 32.500 0.078 0.000 1.025 2 K HN 1.687 nan 8.250 nan 0.000 0.463 3 A N 1.010 123.881 122.820 0.085 0.000 2.594 3 A HA 0.649 4.969 4.320 0.000 0.000 0.296 3 A C -2.043 175.553 177.584 0.020 0.000 1.061 3 A CA -0.919 51.230 52.037 0.188 0.000 0.689 3 A CB 0.692 19.797 19.000 0.174 0.000 1.280 3 A HN 0.777 nan 8.150 nan 0.000 0.406 4 W N 1.374 122.742 121.300 0.114 0.000 2.338 4 W HA 0.552 5.212 4.660 0.000 0.000 0.307 4 W C -0.196 176.334 176.519 0.018 0.000 1.167 4 W CA -0.109 57.235 57.345 -0.001 0.000 1.208 4 W CB 1.759 31.181 29.460 -0.063 0.000 1.228 4 W HN 0.479 nan 8.180 nan 0.000 0.499 5 V N 5.432 125.460 119.914 0.190 0.000 2.680 5 V HA 0.381 4.501 4.120 0.000 0.000 0.309 5 V C -0.493 175.575 176.094 -0.044 0.000 1.052 5 V CA -1.289 61.049 62.300 0.065 0.000 0.908 5 V CB 1.970 33.806 31.823 0.023 0.000 1.001 5 V HN 0.349 nan 8.190 nan 0.000 0.431 6 L N 4.347 125.428 121.223 -0.236 0.000 2.277 6 L HA 0.487 4.827 4.340 0.000 0.000 0.284 6 L C 0.722 177.358 176.870 -0.389 0.000 1.028 6 L CA -0.072 54.533 54.840 -0.393 0.000 0.835 6 L CB 1.131 42.764 42.059 -0.709 0.000 1.215 6 L HN 0.737 nan 8.230 nan 0.000 0.425 7 K N 3.804 124.074 120.400 -0.217 0.000 2.314 7 K HA 0.172 4.492 4.320 0.000 0.000 0.198 7 K C -0.083 176.435 176.600 -0.138 0.000 1.045 7 K CA 0.559 56.755 56.287 -0.151 0.000 0.988 7 K CB 0.505 32.953 32.500 -0.087 0.000 0.783 7 K HN 0.518 nan 8.250 nan 0.000 0.484 8 R N 0.788 121.194 120.500 -0.156 0.000 2.548 8 R HA 0.227 4.567 4.340 0.000 0.000 0.280 8 R C -1.386 174.837 176.300 -0.129 0.000 1.061 8 R CA -0.970 55.062 56.100 -0.113 0.000 0.915 8 R CB 1.402 31.654 30.300 -0.080 0.000 1.210 8 R HN -0.135 nan 8.270 nan 0.000 0.442 9 L N 1.872 123.044 121.223 -0.085 0.000 2.525 9 L HA 0.075 4.415 4.340 0.000 0.000 0.278 9 L C 1.614 178.433 176.870 -0.086 0.000 1.218 9 L CA 1.871 56.668 54.840 -0.072 0.000 0.878 9 L CB 0.186 42.239 42.059 -0.011 0.000 1.127 9 L HN 1.045 nan 8.230 nan 0.000 0.492 10 G N 1.937 110.669 108.800 -0.112 0.000 2.234 10 G HA2 -0.220 3.740 3.960 0.000 0.000 0.260 10 G HA3 -0.220 3.740 3.960 0.000 0.000 0.260 10 G C 0.646 175.479 174.900 -0.111 0.000 0.987 10 G CA 0.289 45.326 45.100 -0.105 0.000 0.625 10 G HN 1.096 nan 8.290 nan 0.000 0.532 11 G N 0.412 109.137 108.800 -0.125 0.000 2.525 11 G HA2 0.705 4.665 3.960 0.000 0.000 0.287 11 G HA3 0.705 4.665 3.960 0.000 0.000 0.287 11 G C -1.702 173.111 174.900 -0.145 0.000 1.350 11 G CA -0.159 44.870 45.100 -0.117 0.000 1.039 11 G HN 0.425 nan 8.290 nan 0.000 0.513 12 P HA 0.439 nan 4.420 nan 0.000 0.283 12 P C -0.686 176.548 177.300 -0.110 0.000 1.271 12 P CA -0.619 62.409 63.100 -0.119 0.000 0.841 12 P CB 1.711 33.371 31.700 -0.067 0.000 1.122 13 L N 0.581 121.744 121.223 -0.100 0.000 2.375 13 L HA 0.387 4.727 4.340 0.000 0.000 0.271 13 L C 0.932 177.932 176.870 0.217 0.000 1.107 13 L CA -0.223 54.626 54.840 0.014 0.000 0.806 13 L CB 0.477 42.500 42.059 -0.060 0.000 1.146 13 L HN 0.461 nan 8.230 nan 0.000 0.447 14 E N 3.396 123.724 120.200 0.212 0.000 2.185 14 E HA 0.202 4.552 4.350 0.000 0.000 0.261 14 E C -1.281 175.299 176.600 -0.034 0.000 0.879 14 E CA -0.808 55.656 56.400 0.107 0.000 0.756 14 E CB 1.638 31.344 29.700 0.010 0.000 1.152 14 E HN 0.394 nan 8.360 nan 0.000 0.416 15 L N 7.246 128.229 121.223 -0.400 0.000 2.407 15 L HA 0.233 4.573 4.340 0.000 0.000 0.282 15 L C -0.563 176.055 176.870 -0.420 0.000 1.110 15 L CA 0.180 54.475 54.840 -0.908 0.000 0.863 15 L CB 0.122 41.256 42.059 -1.541 0.000 1.207 15 L HN 0.506 nan 8.230 nan 0.000 0.454 16 V N 2.806 122.558 119.914 -0.270 0.000 3.158 16 V HA 0.663 4.783 4.120 0.000 0.000 0.315 16 V C -0.440 175.600 176.094 -0.090 0.000 1.148 16 V CA -1.107 61.110 62.300 -0.140 0.000 1.042 16 V CB 2.350 34.128 31.823 -0.075 0.000 1.101 16 V HN 0.581 nan 8.190 nan 0.000 0.448 17 D N 1.697 122.064 120.400 -0.054 0.000 2.233 17 D HA 0.688 5.328 4.640 0.000 0.000 0.240 17 D C -0.633 175.661 176.300 -0.010 0.000 1.074 17 D CA 0.145 54.128 54.000 -0.027 0.000 0.838 17 D CB 2.014 42.799 40.800 -0.025 0.000 1.124 17 D HN 0.517 nan 8.370 nan 0.000 0.475 18 L N 2.265 123.491 121.223 0.005 0.000 2.309 18 L HA 0.444 4.784 4.340 0.000 0.000 0.261 18 L C -2.392 174.488 176.870 0.017 0.000 1.021 18 L CA -2.145 52.704 54.840 0.016 0.000 0.823 18 L CB 2.377 44.455 42.059 0.032 0.000 1.366 18 L HN 0.020 nan 8.230 nan 0.000 0.423 19 P HA 0.061 nan 4.420 nan 0.000 0.271 19 P C -1.052 176.260 177.300 0.021 0.000 1.218 19 P CA -0.398 62.712 63.100 0.017 0.000 0.780 19 P CB 0.372 32.083 31.700 0.017 0.000 0.901 20 E N 2.826 123.036 120.200 0.016 0.000 2.413 20 E HA 0.097 4.447 4.350 0.000 0.000 0.263 20 E C -1.944 174.668 176.600 0.021 0.000 1.015 20 E CA -1.257 55.153 56.400 0.017 0.000 0.916 20 E CB -0.875 28.833 29.700 0.012 0.000 0.947 20 E HN 0.346 nan 8.360 nan 0.000 0.440 21 P HA 0.115 nan 4.420 nan 0.000 0.269 21 P C -0.402 176.910 177.300 0.020 0.000 1.215 21 P CA 0.322 63.438 63.100 0.027 0.000 0.780 21 P CB 0.406 32.125 31.700 0.031 0.000 0.898 22 E N 0.642 120.853 120.200 0.020 0.000 2.166 22 E HA 0.609 4.959 4.350 0.000 0.000 0.275 22 E C -0.522 176.086 176.600 0.013 0.000 0.941 22 E CA -0.940 55.469 56.400 0.015 0.000 0.784 22 E CB 1.342 31.051 29.700 0.015 0.000 1.115 22 E HN 0.597 nan 8.360 nan 0.000 0.399 23 A N 2.065 124.891 122.820 0.009 0.000 2.260 23 A HA 0.685 5.005 4.320 0.000 0.000 0.308 23 A C 0.570 178.156 177.584 0.003 0.000 1.254 23 A CA 0.283 52.324 52.037 0.005 0.000 0.874 23 A CB -0.191 18.811 19.000 0.003 0.000 1.153 23 A HN 1.103 nan 8.150 nan 0.000 0.527 24 E N 1.508 121.710 120.200 0.002 0.000 2.322 24 E HA 0.559 4.909 4.350 0.000 0.000 0.257 24 E C 0.470 177.069 176.600 -0.003 0.000 1.155 24 E CA -0.057 56.344 56.400 0.001 0.000 0.936 24 E CB -0.088 29.613 29.700 0.002 0.000 1.130 24 E HN 1.540 nan 8.360 nan 0.000 0.465 25 E N -0.649 119.549 120.200 -0.003 0.000 2.502 25 E HA 0.391 4.741 4.350 0.000 0.000 0.261 25 E C 1.399 177.993 176.600 -0.009 0.000 0.974 25 E CA 0.716 57.113 56.400 -0.005 0.000 0.936 25 E CB -0.435 29.263 29.700 -0.004 0.000 0.926 25 E HN 2.308 nan 8.360 nan 0.000 0.459 26 G N 1.559 110.352 108.800 -0.012 0.000 2.179 26 G HA2 -0.237 3.723 3.960 0.000 0.000 0.260 26 G HA3 -0.237 3.723 3.960 0.000 0.000 0.260 26 G C 0.322 175.207 174.900 -0.025 0.000 0.977 26 G CA 0.583 45.672 45.100 -0.018 0.000 0.641 26 G HN 0.753 nan 8.290 nan 0.000 0.533 27 E N -0.708 119.480 120.200 -0.020 0.000 2.249 27 E HA 0.696 5.046 4.350 0.000 0.000 0.263 27 E C -0.011 176.575 176.600 -0.025 0.000 0.950 27 E CA -0.491 55.895 56.400 -0.024 0.000 0.827 27 E CB 2.687 32.379 29.700 -0.013 0.000 1.220 27 E HN 0.793 nan 8.360 nan 0.000 0.411 28 V N -2.095 117.801 119.914 -0.030 0.000 3.007 28 V HA 0.584 4.704 4.120 0.000 0.000 0.311 28 V C -0.764 175.324 176.094 -0.010 0.000 1.120 28 V CA -0.949 61.337 62.300 -0.024 0.000 0.980 28 V CB 1.775 33.570 31.823 -0.045 0.000 1.033 28 V HN 0.376 nan 8.190 nan 0.000 0.429 29 V N 4.505 124.421 119.914 0.003 0.000 2.347 29 V HA 0.550 4.670 4.120 0.000 0.000 0.280 29 V C -0.113 175.995 176.094 0.023 0.000 1.021 29 V CA -0.331 61.977 62.300 0.013 0.000 0.847 29 V CB 0.955 32.787 31.823 0.015 0.000 0.990 29 V HN 0.988 nan 8.190 nan 0.000 0.444 30 L N 3.212 124.453 121.223 0.031 0.000 2.331 30 L HA 0.698 5.038 4.340 0.000 0.000 0.275 30 L C -0.006 176.888 176.870 0.039 0.000 1.022 30 L CA -0.685 54.184 54.840 0.049 0.000 0.812 30 L CB 0.937 43.040 42.059 0.075 0.000 1.257 30 L HN 0.543 nan 8.230 nan 0.000 0.435 31 R N 2.270 122.792 120.500 0.036 0.000 2.220 31 R HA 0.468 4.808 4.340 0.000 0.000 0.340 31 R C -0.991 175.317 176.300 0.013 0.000 1.076 31 R CA -0.555 55.553 56.100 0.014 0.000 0.920 31 R CB 0.527 30.831 30.300 0.007 0.000 1.062 31 R HN 0.732 nan 8.270 nan 0.000 0.469 32 V N 4.997 124.912 119.914 0.001 0.000 2.673 32 V HA -0.067 4.053 4.120 0.000 0.000 0.303 32 V C 1.005 177.089 176.094 -0.017 0.000 1.046 32 V CA 0.894 63.196 62.300 0.004 0.000 1.126 32 V CB 1.234 33.057 31.823 -0.000 0.000 0.934 32 V HN 0.915 nan 8.190 nan 0.000 0.487 33 E N 2.513 122.719 120.200 0.010 0.000 2.399 33 E HA 0.461 4.811 4.350 0.000 0.000 0.206 33 E C 0.255 176.875 176.600 0.033 0.000 0.812 33 E CA 0.542 56.947 56.400 0.008 0.000 1.138 33 E CB 1.145 30.853 29.700 0.013 0.000 1.140 33 E HN 0.763 nan 8.360 nan 0.000 0.536 34 A N 1.000 123.853 122.820 0.055 0.000 2.549 34 A HA 0.614 4.934 4.320 0.000 0.000 0.297 34 A C -1.279 176.361 177.584 0.093 0.000 1.061 34 A CA -0.490 51.595 52.037 0.079 0.000 0.690 34 A CB 1.903 20.947 19.000 0.073 0.000 1.287 34 A HN -0.026 nan 8.150 nan 0.000 0.402 35 V N 1.151 121.129 119.914 0.107 0.000 2.531 35 V HA 0.687 4.807 4.120 0.000 0.000 0.301 35 V C 0.670 176.807 176.094 0.072 0.000 1.034 35 V CA -0.143 62.216 62.300 0.099 0.000 0.865 35 V CB 1.931 33.828 31.823 0.123 0.000 0.995 35 V HN 1.323 nan 8.190 nan 0.000 0.424 36 G N 4.582 113.421 108.800 0.066 0.000 2.338 36 G HA2 0.635 4.595 3.960 0.000 0.000 0.298 36 G HA3 0.635 4.595 3.960 0.000 0.000 0.298 36 G C -0.675 174.224 174.900 -0.002 0.000 1.140 36 G CA -0.504 44.627 45.100 0.052 0.000 0.860 36 G HN 0.587 nan 8.290 nan 0.000 0.470 37 L N 2.343 123.528 121.223 -0.063 0.000 2.357 37 L HA 0.429 4.769 4.340 0.000 0.000 0.273 37 L C -0.023 176.801 176.870 -0.077 0.000 1.080 37 L CA -0.913 53.825 54.840 -0.170 0.000 0.803 37 L CB 1.209 43.032 42.059 -0.393 0.000 1.174 37 L HN 0.452 nan 8.230 nan 0.000 0.443 38 N N 0.683 119.344 118.700 -0.066 0.000 2.380 38 N HA 0.240 4.980 4.740 0.000 0.000 0.290 38 N C 0.287 175.831 175.510 0.056 0.000 1.236 38 N CA -0.624 52.445 53.050 0.033 0.000 0.780 38 N CB 1.933 40.447 38.487 0.045 0.000 1.438 38 N HN 0.462 nan 8.380 nan 0.000 0.491 39 F N 1.745 121.700 119.950 0.009 0.000 2.293 39 F HA -0.060 4.467 4.527 0.000 0.000 0.300 39 F C 2.173 177.989 175.800 0.025 0.000 1.086 39 F CA 1.233 59.264 58.000 0.052 0.000 1.375 39 F CB 0.136 39.176 39.000 0.066 0.000 1.045 39 F HN 0.696 nan 8.300 nan 0.000 0.516 40 A N -0.222 122.611 122.820 0.021 0.000 1.933 40 A HA -0.206 4.114 4.320 0.000 0.000 0.218 40 A C 2.019 179.391 177.584 -0.354 0.000 1.175 40 A CA 1.982 53.764 52.037 -0.425 0.000 0.628 40 A CB -0.798 17.775 19.000 -0.712 0.000 0.814 40 A HN 0.379 nan 8.150 nan 0.000 0.444 41 D N -1.364 118.967 120.400 -0.114 0.000 2.144 41 D HA -0.169 4.471 4.640 0.000 0.000 0.199 41 D C 1.758 178.159 176.300 0.169 0.000 0.984 41 D CA 1.474 55.516 54.000 0.069 0.000 0.834 41 D CB -0.479 40.404 40.800 0.138 0.000 0.955 41 D HN 0.747 nan 8.370 nan 0.000 0.465 42 H N 1.227 120.297 119.070 -0.000 0.000 2.326 42 H HA -0.026 4.530 4.556 0.000 0.000 0.301 42 H C 2.331 177.572 175.328 -0.146 0.000 1.081 42 H CA 0.765 56.757 56.048 -0.092 0.000 1.334 42 H CB -0.120 29.399 29.762 -0.404 0.000 1.385 42 H HN 0.096 nan 8.280 nan 0.000 0.504 43 L N 0.258 121.291 121.223 -0.316 0.000 2.131 43 L HA -0.184 4.156 4.340 0.000 0.000 0.210 43 L C 2.950 179.758 176.870 -0.103 0.000 1.092 43 L CA 0.839 55.553 54.840 -0.209 0.000 0.759 43 L CB -0.337 41.748 42.059 0.043 0.000 0.903 43 L HN 0.324 nan 8.230 nan 0.000 0.435 44 M N -0.718 118.845 119.600 -0.061 0.000 2.175 44 M HA -0.157 4.323 4.480 0.000 0.000 0.264 44 M C 2.397 178.768 176.300 0.119 0.000 1.063 44 M CA 1.585 56.927 55.300 0.070 0.000 1.119 44 M CB -0.447 32.192 32.600 0.065 0.000 1.377 44 M HN 0.192 nan 8.290 nan 0.000 0.415 45 R N 0.488 120.995 120.500 0.012 0.000 2.120 45 R HA -0.061 4.279 4.340 0.000 0.000 0.234 45 R C 1.897 178.135 176.300 -0.105 0.000 1.123 45 R CA 1.047 57.108 56.100 -0.065 0.000 0.975 45 R CB -0.376 29.774 30.300 -0.251 0.000 0.866 45 R HN 0.388 nan 8.270 nan 0.000 0.446 46 L N -0.350 120.776 121.223 -0.162 0.000 2.558 46 L HA 0.186 4.526 4.340 0.000 0.000 0.225 46 L C 0.743 177.587 176.870 -0.044 0.000 1.128 46 L CA 0.213 54.975 54.840 -0.130 0.000 0.868 46 L CB 0.090 42.029 42.059 -0.199 0.000 1.006 46 L HN 0.397 nan 8.230 nan 0.000 0.454 47 G N 0.875 109.679 108.800 0.006 0.000 2.368 47 G HA2 -0.164 3.796 3.960 0.000 0.000 0.290 47 G HA3 -0.164 3.796 3.960 0.000 0.000 0.290 47 G C 0.362 175.282 174.900 0.033 0.000 1.098 47 G CA 0.251 45.382 45.100 0.052 0.000 1.073 47 G HN 0.458 nan 8.290 nan 0.000 0.511 48 A N -0.423 122.423 122.820 0.043 0.000 2.653 48 A HA 0.573 4.893 4.320 0.000 0.000 0.248 48 A C 0.401 178.046 177.584 0.101 0.000 1.211 48 A CA 0.173 52.237 52.037 0.045 0.000 0.991 48 A CB 0.351 19.369 19.000 0.030 0.000 1.252 48 A HN 1.023 nan 8.150 nan 0.000 0.593 49 Y N 0.592 120.862 120.300 -0.049 0.000 2.314 49 Y HA 0.203 4.753 4.550 0.000 0.000 0.334 49 Y C 1.351 177.145 175.900 -0.177 0.000 1.266 49 Y CA -0.948 57.107 58.100 -0.076 0.000 1.391 49 Y CB 0.525 38.977 38.460 -0.014 0.000 1.306 49 Y HN 0.108 nan 8.280 nan 0.000 0.558 50 L N 2.709 123.371 121.223 -0.936 0.000 2.081 50 L HA -0.164 4.176 4.340 0.000 0.000 0.212 50 L C 1.296 177.722 176.870 -0.741 0.000 1.080 50 L CA 2.233 56.385 54.840 -1.146 0.000 0.754 50 L CB -2.155 38.481 42.059 -2.372 0.000 0.893 50 L HN 0.834 nan 8.230 nan 0.000 0.433 51 T N -0.535 113.710 114.554 -0.514 0.000 2.749 51 T HA 0.570 4.920 4.350 0.000 0.000 0.287 51 T C 0.470 175.170 174.700 -0.001 0.000 0.970 51 T CA -0.505 61.569 62.100 -0.043 0.000 0.980 51 T CB 0.210 69.209 68.868 0.218 0.000 0.924 51 T HN 0.245 nan 8.240 nan 0.000 0.456 52 R N 4.037 124.510 120.500 -0.044 0.000 2.296 52 R HA 0.602 4.942 4.340 0.000 0.000 0.327 52 R C -0.034 176.189 176.300 -0.127 0.000 1.137 52 R CA -0.672 55.410 56.100 -0.030 0.000 1.020 52 R CB -0.339 29.957 30.300 -0.005 0.000 1.110 52 R HN 0.672 nan 8.270 nan 0.000 0.499 53 L N 2.800 123.974 121.223 -0.082 0.000 2.416 53 L HA 0.244 4.584 4.340 0.000 0.000 0.272 53 L C -0.103 176.827 176.870 0.101 0.000 1.161 53 L CA -0.157 54.583 54.840 -0.166 0.000 0.845 53 L CB 0.589 42.338 42.059 -0.516 0.000 1.119 53 L HN 0.781 nan 8.230 nan 0.000 0.464 54 H N 5.179 124.334 119.070 0.141 0.000 2.594 54 H HA 0.284 4.840 4.556 0.000 0.000 0.304 54 H C -1.931 173.575 175.328 0.295 0.000 1.068 54 H CA -1.858 54.302 56.048 0.187 0.000 1.308 54 H CB 0.916 30.742 29.762 0.106 0.000 1.409 54 H HN 0.505 nan 8.280 nan 0.000 0.460 55 P HA -0.003 nan 4.420 nan 0.000 0.270 55 P C -2.258 175.118 177.300 0.127 0.000 1.223 55 P CA -1.017 62.198 63.100 0.192 0.000 0.785 55 P CB 0.238 31.933 31.700 -0.008 0.000 0.923 56 P HA 0.345 nan 4.420 nan 0.000 0.281 56 P C -1.144 176.235 177.300 0.131 0.000 1.249 56 P CA -0.091 63.006 63.100 -0.005 0.000 0.810 56 P CB 0.601 32.293 31.700 -0.014 0.000 1.008 57 F N -1.150 118.834 119.950 0.057 0.000 2.741 57 F HA 0.612 5.139 4.527 0.000 0.000 0.313 57 F C -1.403 174.446 175.800 0.082 0.000 1.153 57 F CA -1.452 56.589 58.000 0.068 0.000 0.931 57 F CB 0.914 39.956 39.000 0.070 0.000 1.335 57 F HN 0.009 nan 8.300 nan 0.000 0.460 58 I N 2.803 123.669 120.570 0.493 0.000 2.312 58 I HA 0.380 4.550 4.170 0.000 0.000 0.290 58 I C -2.397 174.019 176.117 0.498 0.000 1.008 58 I CA -2.043 59.488 61.300 0.385 0.000 1.226 58 I CB 1.331 39.496 38.000 0.275 0.000 1.371 58 I HN 0.304 nan 8.210 nan 0.000 0.468 59 P HA 0.231 nan 4.420 nan 0.000 0.271 59 P C -0.195 177.289 177.300 0.308 0.000 1.244 59 P CA 0.092 63.468 63.100 0.460 0.000 0.793 59 P CB 0.636 32.609 31.700 0.455 0.000 0.984 60 G N 0.583 109.520 108.800 0.228 0.000 3.434 60 G HA2 -0.086 3.874 3.960 0.000 0.000 0.686 60 G HA3 -0.086 3.874 3.960 0.000 0.000 0.686 60 G C -0.066 174.900 174.900 0.110 0.000 1.099 60 G CA -0.492 44.696 45.100 0.147 0.000 0.931 60 G HN 0.392 nan 8.290 nan 0.000 0.520 61 M N 0.550 120.197 119.600 0.077 0.000 2.279 61 M HA 0.277 4.757 4.480 0.000 0.000 0.299 61 M C 0.781 177.121 176.300 0.067 0.000 0.970 61 M CA 0.201 55.540 55.300 0.064 0.000 1.065 61 M CB 1.182 33.814 32.600 0.053 0.000 1.669 61 M HN 0.489 nan 8.290 nan 0.000 0.582 62 E N 2.646 122.888 120.200 0.071 0.000 2.183 62 E HA 0.397 4.747 4.350 0.000 0.000 0.250 62 E C -1.031 175.623 176.600 0.090 0.000 0.901 62 E CA -0.527 55.921 56.400 0.080 0.000 0.741 62 E CB 1.090 30.837 29.700 0.078 0.000 1.182 62 E HN 0.145 nan 8.360 nan 0.000 0.425 63 V N 0.975 120.945 119.914 0.094 0.000 2.881 63 V HA 0.757 4.877 4.120 0.000 0.000 0.316 63 V C -0.349 175.807 176.094 0.103 0.000 1.070 63 V CA -0.784 61.574 62.300 0.096 0.000 0.976 63 V CB 1.893 33.770 31.823 0.090 0.000 1.038 63 V HN 0.276 nan 8.190 nan 0.000 0.446 64 V N 1.778 121.749 119.914 0.095 0.000 2.612 64 V HA 0.938 5.058 4.120 0.000 0.000 0.301 64 V C 0.420 176.560 176.094 0.077 0.000 1.059 64 V CA 0.596 62.952 62.300 0.093 0.000 0.886 64 V CB 1.086 32.957 31.823 0.080 0.000 1.007 64 V HN 1.508 nan 8.190 nan 0.000 0.426 65 G N 2.795 111.649 108.800 0.091 0.000 2.682 65 G HA2 0.680 4.640 3.960 0.000 0.000 0.303 65 G HA3 0.680 4.640 3.960 0.000 0.000 0.303 65 G C -1.833 173.121 174.900 0.090 0.000 1.341 65 G CA -0.545 44.598 45.100 0.072 0.000 0.784 65 G HN 0.511 nan 8.290 nan 0.000 0.497 66 V N -0.191 119.766 119.914 0.071 0.000 2.547 66 V HA 0.665 4.785 4.120 0.000 0.000 0.299 66 V C -0.371 175.792 176.094 0.114 0.000 1.040 66 V CA -0.611 61.734 62.300 0.074 0.000 0.913 66 V CB 1.581 33.418 31.823 0.024 0.000 0.992 66 V HN 0.599 nan 8.190 nan 0.000 0.449 67 V N 2.687 122.705 119.914 0.174 0.000 2.482 67 V HA 0.609 4.729 4.120 0.000 0.000 0.295 67 V C 0.468 176.644 176.094 0.135 0.000 1.026 67 V CA -0.128 62.274 62.300 0.170 0.000 0.856 67 V CB 0.964 32.929 31.823 0.238 0.000 1.001 67 V HN 1.157 nan 8.190 nan 0.000 0.424 68 E N 2.858 123.103 120.200 0.076 0.000 2.165 68 E HA -0.113 4.237 4.350 0.000 0.000 0.203 68 E C 1.831 178.456 176.600 0.042 0.000 1.335 68 E CA 1.640 58.072 56.400 0.053 0.000 0.708 68 E CB -1.645 28.087 29.700 0.053 0.000 1.105 68 E HN 2.572 nan 8.360 nan 0.000 0.346 69 G N -2.800 106.015 108.800 0.025 0.000 2.383 69 G HA2 0.112 4.072 3.960 0.000 0.000 0.229 69 G HA3 0.112 4.072 3.960 0.000 0.000 0.229 69 G C 0.954 175.831 174.900 -0.038 0.000 1.089 69 G CA 1.441 46.539 45.100 -0.003 0.000 0.640 69 G HN 2.184 nan 8.290 nan 0.000 0.510 70 R N 0.801 121.275 120.500 -0.043 0.000 2.410 70 R HA 0.839 5.179 4.340 0.000 0.000 0.288 70 R C 0.405 176.501 176.300 -0.340 0.000 1.051 70 R CA 0.506 56.476 56.100 -0.217 0.000 1.021 70 R CB 0.370 30.505 30.300 -0.275 0.000 1.032 70 R HN 0.948 nan 8.270 nan 0.000 0.481 71 R N 1.689 121.935 120.500 -0.424 0.000 2.349 71 R HA 0.560 4.900 4.340 0.000 0.000 0.299 71 R C -1.250 174.730 176.300 -0.533 0.000 1.027 71 R CA -0.129 55.783 56.100 -0.313 0.000 0.958 71 R CB 0.678 30.875 30.300 -0.171 0.000 1.047 71 R HN 0.716 nan 8.270 nan 0.000 0.468 72 Y N 0.969 121.272 120.300 0.005 0.000 2.638 72 Y HA 0.662 5.212 4.550 0.000 0.000 0.339 72 Y C -0.376 175.543 175.900 0.031 0.000 1.084 72 Y CA -0.932 57.176 58.100 0.013 0.000 1.068 72 Y CB 2.293 40.763 38.460 0.018 0.000 1.294 72 Y HN 0.710 nan 8.280 nan 0.000 0.480 73 A N 0.743 123.712 122.820 0.247 0.000 2.371 73 A HA 0.967 5.287 4.320 0.000 0.000 0.311 73 A C -1.340 176.347 177.584 0.171 0.000 1.068 73 A CA -0.241 51.907 52.037 0.185 0.000 0.744 73 A CB 1.018 20.138 19.000 0.200 0.000 1.239 73 A HN 1.101 nan 8.150 nan 0.000 0.435 74 A N 1.595 124.493 122.820 0.131 0.000 2.574 74 A HA 0.687 5.007 4.320 0.000 0.000 0.297 74 A C -1.479 176.152 177.584 0.077 0.000 1.062 74 A CA -0.429 51.663 52.037 0.091 0.000 0.686 74 A CB 0.923 19.958 19.000 0.058 0.000 1.285 74 A HN 0.838 nan 8.150 nan 0.000 0.403 75 L N 2.330 123.588 121.223 0.058 0.000 2.265 75 L HA 0.606 4.946 4.340 0.000 0.000 0.289 75 L C -0.120 176.770 176.870 0.034 0.000 1.033 75 L CA -0.867 54.001 54.840 0.048 0.000 0.814 75 L CB 1.339 43.420 42.059 0.037 0.000 1.203 75 L HN 0.683 nan 8.230 nan 0.000 0.423 76 V N 1.281 121.219 119.914 0.039 0.000 2.919 76 V HA 0.541 4.661 4.120 0.000 0.000 0.316 76 V C -2.287 173.823 176.094 0.027 0.000 1.077 76 V CA -1.638 60.681 62.300 0.031 0.000 0.977 76 V CB 1.674 33.522 31.823 0.041 0.000 1.039 76 V HN 0.429 nan 8.190 nan 0.000 0.441 77 P HA 0.037 nan 4.420 nan 0.000 0.219 77 P C 0.050 177.339 177.300 -0.019 0.000 1.150 77 P CA 1.169 64.267 63.100 -0.003 0.000 0.814 77 P CB 0.099 31.788 31.700 -0.018 0.000 0.787 78 Q N -4.576 115.229 119.800 0.008 0.000 2.832 78 Q HA 0.501 4.841 4.340 0.000 0.000 0.322 78 Q C -0.182 175.871 176.000 0.089 0.000 0.842 78 Q CA -0.482 55.343 55.803 0.035 0.000 0.780 78 Q CB 0.301 29.037 28.738 -0.004 0.000 1.411 78 Q HN 0.016 nan 8.270 nan 0.000 0.490 79 G N -0.932 107.956 108.800 0.146 0.000 2.141 79 G HA2 -0.243 3.717 3.960 0.000 0.000 0.242 79 G HA3 -0.243 3.717 3.960 0.000 0.000 0.242 79 G C 0.610 175.605 174.900 0.158 0.000 0.982 79 G CA 0.548 45.739 45.100 0.152 0.000 0.662 79 G HN 1.140 nan 8.290 nan 0.000 0.527 80 G N 0.279 109.180 108.800 0.168 0.000 2.414 80 G HA2 0.083 4.043 3.960 0.000 0.000 0.215 80 G HA3 0.083 4.043 3.960 0.000 0.000 0.215 80 G C 1.178 176.215 174.900 0.228 0.000 1.188 80 G CA 0.772 45.972 45.100 0.167 0.000 0.783 80 G HN 0.751 nan 8.290 nan 0.000 0.537 81 L N 1.637 123.048 121.223 0.312 0.000 2.650 81 L HA 0.509 4.849 4.340 0.000 0.000 0.239 81 L C 0.558 177.785 176.870 0.596 0.000 1.412 81 L CA -0.541 54.605 54.840 0.509 0.000 1.219 81 L CB -0.453 41.906 42.059 0.500 0.000 1.534 81 L HN 0.279 nan 8.230 nan 0.000 0.430 82 A N -0.363 122.670 122.820 0.355 0.000 2.527 82 A HA 0.458 4.778 4.320 0.000 0.000 0.293 82 A C 0.641 178.238 177.584 0.023 0.000 1.117 82 A CA -0.580 51.597 52.037 0.233 0.000 0.723 82 A CB 1.189 20.293 19.000 0.172 0.000 1.313 82 A HN 0.385 nan 8.150 nan 0.000 0.411 83 E N -0.125 120.046 120.200 -0.050 0.000 2.150 83 E HA -0.068 4.282 4.350 0.000 0.000 0.193 83 E C 0.082 176.656 176.600 -0.043 0.000 0.985 83 E CA 0.935 57.264 56.400 -0.118 0.000 0.814 83 E CB 0.107 29.747 29.700 -0.101 0.000 0.752 83 E HN 0.479 nan 8.360 nan 0.000 0.466 84 R N -0.377 120.125 120.500 0.003 0.000 2.740 84 R HA 0.523 4.863 4.340 0.000 0.000 0.273 84 R C -1.397 174.927 176.300 0.040 0.000 0.998 84 R CA -0.666 55.445 56.100 0.018 0.000 0.900 84 R CB 2.613 32.921 30.300 0.014 0.000 1.223 84 R HN -0.184 nan 8.270 nan 0.000 0.466 85 V N 0.155 120.093 119.914 0.040 0.000 2.932 85 V HA 0.642 4.762 4.120 0.000 0.000 0.307 85 V C -0.522 175.592 176.094 0.033 0.000 1.147 85 V CA -1.248 61.080 62.300 0.046 0.000 0.951 85 V CB 1.908 33.766 31.823 0.058 0.000 1.031 85 V HN 0.947 nan 8.190 nan 0.000 0.426 86 A N 2.975 125.813 122.820 0.030 0.000 2.331 86 A HA 0.841 5.161 4.320 0.000 0.000 0.283 86 A C -0.513 177.078 177.584 0.011 0.000 1.142 86 A CA -0.379 51.669 52.037 0.017 0.000 0.812 86 A CB 0.822 19.832 19.000 0.017 0.000 1.074 86 A HN 1.093 nan 8.150 nan 0.000 0.497 87 V N 3.963 123.874 119.914 -0.004 0.000 2.733 87 V HA 0.323 4.443 4.120 0.000 0.000 0.306 87 V C -2.709 173.364 176.094 -0.034 0.000 1.084 87 V CA -1.599 60.692 62.300 -0.015 0.000 0.905 87 V CB 2.126 33.937 31.823 -0.020 0.000 1.010 87 V HN 0.772 nan 8.190 nan 0.000 0.424 88 P HA 0.195 nan 4.420 nan 0.000 0.262 88 P C 0.971 178.235 177.300 -0.060 0.000 1.199 88 P CA 0.426 63.505 63.100 -0.037 0.000 0.763 88 P CB 0.577 32.261 31.700 -0.027 0.000 0.790 89 K N 3.613 123.969 120.400 -0.072 0.000 2.144 89 K HA -0.182 4.138 4.320 0.000 0.000 0.209 89 K C 2.084 178.623 176.600 -0.102 0.000 1.047 89 K CA 2.286 58.508 56.287 -0.110 0.000 0.927 89 K CB -1.894 30.552 32.500 -0.090 0.000 0.716 89 K HN 0.670 nan 8.250 nan 0.000 0.454 90 G N -0.981 107.782 108.800 -0.062 0.000 2.882 90 G HA2 0.282 4.242 3.960 0.000 0.000 0.206 90 G HA3 0.282 4.242 3.960 0.000 0.000 0.206 90 G C 1.310 176.189 174.900 -0.036 0.000 1.155 90 G CA 0.825 45.898 45.100 -0.044 0.000 0.800 90 G HN 0.862 nan 8.290 nan 0.000 0.524 91 A N -0.231 122.562 122.820 -0.046 0.000 2.382 91 A HA 0.501 4.821 4.320 0.000 0.000 0.228 91 A C 0.879 178.451 177.584 -0.020 0.000 1.217 91 A CA -0.387 51.636 52.037 -0.024 0.000 0.923 91 A CB 0.169 19.158 19.000 -0.019 0.000 0.979 91 A HN 0.246 nan 8.150 nan 0.000 0.515 92 L N 2.268 123.445 121.223 -0.076 0.000 2.477 92 L HA 0.130 4.470 4.340 0.000 0.000 0.272 92 L C -0.559 176.331 176.870 0.033 0.000 1.157 92 L CA -0.253 54.526 54.840 -0.102 0.000 0.889 92 L CB 0.502 42.305 42.059 -0.428 0.000 1.158 92 L HN 0.175 nan 8.230 nan 0.000 0.473 93 L N 5.907 127.216 121.223 0.143 0.000 2.276 93 L HA 0.414 4.754 4.340 0.000 0.000 0.286 93 L C -2.076 174.951 176.870 0.261 0.000 1.061 93 L CA -1.646 53.306 54.840 0.187 0.000 0.807 93 L CB 0.838 43.024 42.059 0.213 0.000 1.177 93 L HN 0.285 nan 8.230 nan 0.000 0.429 94 P HA 0.406 nan 4.420 nan 0.000 0.278 94 P C -0.760 176.534 177.300 -0.009 0.000 1.238 94 P CA -0.363 62.818 63.100 0.136 0.000 0.794 94 P CB 0.991 32.747 31.700 0.093 0.000 0.955 95 L N 3.183 124.348 121.223 -0.097 0.000 2.341 95 L HA 0.576 4.917 4.340 0.000 0.000 0.267 95 L C -2.199 174.579 176.870 -0.152 0.000 1.009 95 L CA -2.337 52.414 54.840 -0.148 0.000 0.819 95 L CB 1.393 43.363 42.059 -0.147 0.000 1.323 95 L HN 0.212 nan 8.230 nan 0.000 0.425 96 P HA 0.106 nan 4.420 nan 0.000 0.271 96 P C -0.787 176.439 177.300 -0.123 0.000 1.216 96 P CA -0.508 62.508 63.100 -0.139 0.000 0.776 96 P CB 0.419 32.027 31.700 -0.155 0.000 0.881 97 E N 1.352 121.490 120.200 -0.103 0.000 2.529 97 E HA 0.109 4.459 4.350 0.000 0.000 0.259 97 E C 1.439 177.989 176.600 -0.083 0.000 0.966 97 E CA 1.571 57.917 56.400 -0.091 0.000 0.937 97 E CB 0.057 29.712 29.700 -0.074 0.000 0.923 97 E HN 0.818 nan 8.360 nan 0.000 0.468 98 G N 2.888 111.641 108.800 -0.078 0.000 2.299 98 G HA2 -0.275 3.685 3.960 0.000 0.000 0.237 98 G HA3 -0.275 3.685 3.960 0.000 0.000 0.237 98 G C 0.362 175.221 174.900 -0.068 0.000 1.027 98 G CA 0.008 45.069 45.100 -0.065 0.000 0.619 98 G HN 0.490 nan 8.290 nan 0.000 0.513 99 L N 3.053 124.224 121.223 -0.086 0.000 2.667 99 L HA 0.336 4.676 4.340 0.000 0.000 0.278 99 L C 1.353 178.184 176.870 -0.065 0.000 1.217 99 L CA 1.471 56.257 54.840 -0.089 0.000 0.935 99 L CB -0.162 41.821 42.059 -0.127 0.000 1.193 99 L HN 0.875 nan 8.230 nan 0.000 0.493 100 S N 5.789 121.462 115.700 -0.045 0.000 2.585 100 S HA 0.253 4.723 4.470 0.000 0.000 0.273 100 S C -1.687 172.907 174.600 -0.011 0.000 1.339 100 S CA -0.999 57.186 58.200 -0.025 0.000 1.028 100 S CB 0.901 64.094 63.200 -0.012 0.000 0.906 100 S HN 0.559 nan 8.310 nan 0.000 0.528 101 P HA -0.107 nan 4.420 nan 0.000 0.215 101 P C 1.071 178.393 177.300 0.038 0.000 1.157 101 P CA 1.346 64.456 63.100 0.018 0.000 0.874 101 P CB 0.003 31.715 31.700 0.019 0.000 0.790 102 E N -0.526 119.696 120.200 0.037 0.000 2.110 102 E HA -0.197 4.153 4.350 0.000 0.000 0.193 102 E C 2.001 178.638 176.600 0.061 0.000 0.988 102 E CA 1.120 57.552 56.400 0.053 0.000 0.804 102 E CB -0.688 29.038 29.700 0.044 0.000 0.745 102 E HN 0.403 nan 8.360 nan 0.000 0.458 103 E N -0.221 120.003 120.200 0.041 0.000 2.216 103 E HA -0.041 4.309 4.350 0.000 0.000 0.192 103 E C 1.815 178.447 176.600 0.055 0.000 0.988 103 E CA 0.729 57.155 56.400 0.044 0.000 0.834 103 E CB 0.002 29.705 29.700 0.004 0.000 0.772 103 E HN 0.263 nan 8.360 nan 0.000 0.479 104 A N 0.810 123.654 122.820 0.040 0.000 1.929 104 A HA 0.059 4.379 4.320 0.000 0.000 0.216 104 A C 2.290 179.964 177.584 0.151 0.000 1.176 104 A CA 1.195 53.268 52.037 0.060 0.000 0.628 104 A CB -0.432 18.582 19.000 0.024 0.000 0.816 104 A HN 0.342 nan 8.150 nan 0.000 0.444 105 A N -0.583 122.313 122.820 0.126 0.000 2.121 105 A HA 0.339 4.659 4.320 0.000 0.000 0.218 105 A C 1.969 179.650 177.584 0.163 0.000 1.154 105 A CA 1.433 53.552 52.037 0.136 0.000 0.679 105 A CB -0.490 18.574 19.000 0.106 0.000 0.795 105 A HN 0.990 nan 8.150 nan 0.000 0.458 106 A N -2.159 120.777 122.820 0.193 0.000 2.345 106 A HA 0.458 4.778 4.320 0.000 0.000 0.225 106 A C 1.345 179.144 177.584 0.358 0.000 1.243 106 A CA 0.203 52.379 52.037 0.231 0.000 0.875 106 A CB -0.442 18.685 19.000 0.213 0.000 0.929 106 A HN 0.593 nan 8.150 nan 0.000 0.502 107 F N 1.087 121.142 119.950 0.175 0.000 2.208 107 F HA 0.184 4.711 4.527 0.000 0.000 0.282 107 F C -1.092 174.885 175.800 0.294 0.000 1.071 107 F CA 0.584 58.708 58.000 0.208 0.000 1.228 107 F CB -0.597 38.370 39.000 -0.057 0.000 1.088 107 F HN 0.087 nan 8.300 nan 0.000 0.512 108 P HA -0.266 nan 4.420 nan 0.000 0.207 108 P C 1.930 179.129 177.300 -0.168 0.000 1.115 108 P CA 2.759 65.702 63.100 -0.261 0.000 0.956 108 P CB -0.326 31.395 31.700 0.035 0.000 0.774 109 V N -0.595 119.311 119.914 -0.013 0.000 2.255 109 V HA -0.272 3.848 4.120 0.000 0.000 0.247 109 V C 2.465 178.574 176.094 0.024 0.000 1.051 109 V CA 2.660 64.980 62.300 0.034 0.000 1.018 109 V CB -1.584 30.285 31.823 0.076 0.000 0.641 109 V HN 0.177 nan 8.190 nan 0.000 0.445 110 S N -0.407 115.307 115.700 0.023 0.000 2.356 110 S HA -0.147 4.323 4.470 0.000 0.000 0.223 110 S C 1.771 176.258 174.600 -0.188 0.000 1.032 110 S CA 1.852 60.016 58.200 -0.060 0.000 1.005 110 S CB -0.461 62.706 63.200 -0.056 0.000 0.867 110 S HN 0.529 nan 8.310 nan 0.000 0.449 111 F N 1.232 121.089 119.950 -0.156 0.000 2.206 111 F HA 0.102 4.629 4.527 0.000 0.000 0.298 111 F C 2.029 177.787 175.800 -0.070 0.000 1.090 111 F CA 0.599 58.524 58.000 -0.126 0.000 1.323 111 F CB -0.351 38.496 39.000 -0.255 0.000 1.028 111 F HN 0.104 nan 8.300 nan 0.000 0.492 112 L N -0.769 120.454 121.223 -0.000 0.000 2.056 112 L HA -0.194 4.146 4.340 0.000 0.000 0.207 112 L C 2.381 179.344 176.870 0.155 0.000 1.078 112 L CA 1.433 56.324 54.840 0.084 0.000 0.749 112 L CB -0.895 41.182 42.059 0.030 0.000 0.901 112 L HN 0.120 nan 8.230 nan 0.000 0.433 113 T N -0.187 114.430 114.554 0.105 0.000 2.708 113 T HA -0.172 4.178 4.350 0.000 0.000 0.266 113 T C 1.980 176.621 174.700 -0.098 0.000 1.037 113 T CA 1.336 63.495 62.100 0.098 0.000 1.146 113 T CB -0.229 68.690 68.868 0.086 0.000 0.865 113 T HN 0.442 nan 8.240 nan 0.000 0.435 114 A N 0.432 123.196 122.820 -0.094 0.000 1.877 114 A HA -0.105 4.215 4.320 0.000 0.000 0.216 114 A C 2.113 179.655 177.584 -0.070 0.000 1.186 114 A CA 1.668 53.624 52.037 -0.134 0.000 0.620 114 A CB -1.038 17.861 19.000 -0.168 0.000 0.822 114 A HN 0.613 nan 8.150 nan 0.000 0.443 115 Y N 0.417 120.682 120.300 -0.057 0.000 2.133 115 Y HA -0.126 4.424 4.550 0.000 0.000 0.287 115 Y C 2.032 177.892 175.900 -0.067 0.000 1.134 115 Y CA 1.891 59.958 58.100 -0.054 0.000 1.133 115 Y CB -0.281 38.194 38.460 0.025 0.000 0.987 115 Y HN 0.196 nan 8.280 nan 0.000 0.502 116 L N -0.147 121.123 121.223 0.079 0.000 2.079 116 L HA -0.243 4.097 4.340 0.000 0.000 0.210 116 L C 2.777 179.627 176.870 -0.033 0.000 1.081 116 L CA 1.169 56.056 54.840 0.079 0.000 0.752 116 L CB -1.037 41.232 42.059 0.351 0.000 0.896 116 L HN 0.380 nan 8.230 nan 0.000 0.433 117 A N 0.098 122.752 122.820 -0.277 0.000 1.902 117 A HA -0.153 4.167 4.320 0.000 0.000 0.217 117 A C 2.249 179.674 177.584 -0.266 0.000 1.181 117 A CA 1.402 53.150 52.037 -0.481 0.000 0.623 117 A CB -0.583 17.947 19.000 -0.784 0.000 0.818 117 A HN 0.364 nan 8.150 nan 0.000 0.443 118 L N -0.829 120.225 121.223 -0.280 0.000 2.109 118 L HA -0.134 4.206 4.340 0.000 0.000 0.207 118 L C 3.209 179.915 176.870 -0.273 0.000 1.086 118 L CA 1.472 56.161 54.840 -0.251 0.000 0.760 118 L CB -0.561 41.346 42.059 -0.254 0.000 0.910 118 L HN 0.504 nan 8.230 nan 0.000 0.437 119 K N 0.685 120.845 120.400 -0.400 0.000 2.057 119 K HA -0.143 4.177 4.320 0.000 0.000 0.207 119 K C 2.459 178.961 176.600 -0.164 0.000 1.049 119 K CA 1.774 57.844 56.287 -0.361 0.000 0.931 119 K CB -1.474 30.717 32.500 -0.514 0.000 0.714 119 K HN 0.408 nan 8.250 nan 0.000 0.440 120 R N 0.323 120.767 120.500 -0.093 0.000 2.120 120 R HA 0.349 4.689 4.340 0.000 0.000 0.234 120 R C 2.499 178.787 176.300 -0.020 0.000 1.123 120 R CA 1.745 57.840 56.100 -0.009 0.000 0.975 120 R CB -1.188 29.168 30.300 0.094 0.000 0.866 120 R HN 0.859 nan 8.270 nan 0.000 0.446 121 A N 0.268 123.056 122.820 -0.053 0.000 2.302 121 A HA 0.215 4.535 4.320 0.000 0.000 0.219 121 A C 0.517 178.068 177.584 -0.054 0.000 1.243 121 A CA 0.361 52.371 52.037 -0.044 0.000 0.856 121 A CB -0.236 18.729 19.000 -0.058 0.000 0.893 121 A HN 0.639 nan 8.150 nan 0.000 0.491 122 Q N -1.171 118.588 119.800 -0.068 0.000 2.423 122 Q HA -0.238 4.102 4.340 0.000 0.000 0.332 122 Q C 0.340 176.303 176.000 -0.062 0.000 1.355 122 Q CA 0.307 56.071 55.803 -0.064 0.000 0.947 122 Q CB -2.065 26.651 28.738 -0.036 0.000 1.189 122 Q HN 0.890 nan 8.270 nan 0.000 0.418 123 A N 1.317 124.085 122.820 -0.087 0.000 2.522 123 A HA 0.346 4.666 4.320 0.000 0.000 0.256 123 A C 0.294 177.848 177.584 -0.051 0.000 1.086 123 A CA 0.104 52.101 52.037 -0.067 0.000 0.763 123 A CB 0.346 19.293 19.000 -0.089 0.000 1.024 123 A HN 0.302 nan 8.150 nan 0.000 0.502 124 R N 2.431 122.918 120.500 -0.023 0.000 2.540 124 R HA 0.525 4.865 4.340 0.000 0.000 0.287 124 R C -2.833 173.471 176.300 0.007 0.000 0.980 124 R CA -2.230 53.865 56.100 -0.008 0.000 0.966 124 R CB 0.619 30.918 30.300 -0.002 0.000 1.106 124 R HN 0.388 nan 8.270 nan 0.000 0.480 125 P HA 0.029 nan 4.420 nan 0.000 0.260 125 P C 0.316 177.631 177.300 0.025 0.000 1.172 125 P CA 1.297 64.416 63.100 0.030 0.000 0.760 125 P CB 0.596 32.318 31.700 0.036 0.000 0.773 126 G N 2.025 110.842 108.800 0.030 0.000 2.279 126 G HA2 -0.199 3.761 3.960 0.000 0.000 0.223 126 G HA3 -0.199 3.761 3.960 0.000 0.000 0.223 126 G C 0.113 175.032 174.900 0.032 0.000 1.015 126 G CA -0.404 44.709 45.100 0.023 0.000 0.621 126 G HN 0.543 nan 8.290 nan 0.000 0.506 127 E N 1.105 121.328 120.200 0.037 0.000 2.418 127 E HA 0.367 4.717 4.350 0.000 0.000 0.261 127 E C -0.027 176.626 176.600 0.090 0.000 1.070 127 E CA 0.231 56.661 56.400 0.050 0.000 0.931 127 E CB 0.498 30.216 29.700 0.030 0.000 0.954 127 E HN 0.345 nan 8.360 nan 0.000 0.439 128 K N 1.225 121.701 120.400 0.127 0.000 2.211 128 K HA 0.353 4.673 4.320 0.000 0.000 0.275 128 K C -0.909 175.763 176.600 0.118 0.000 1.024 128 K CA -0.398 56.026 56.287 0.229 0.000 0.887 128 K CB 1.681 34.399 32.500 0.365 0.000 1.084 128 K HN 0.128 nan 8.250 nan 0.000 0.463 129 V N 5.505 125.470 119.914 0.084 0.000 2.588 129 V HA 0.348 4.468 4.120 0.000 0.000 0.304 129 V C -1.134 174.908 176.094 -0.088 0.000 1.042 129 V CA -1.000 61.293 62.300 -0.013 0.000 0.877 129 V CB 1.607 33.419 31.823 -0.018 0.000 0.996 129 V HN 0.710 nan 8.190 nan 0.000 0.425 130 L N 7.514 128.661 121.223 -0.126 0.000 2.260 130 L HA 0.589 4.929 4.340 0.000 0.000 0.289 130 L C -0.995 175.801 176.870 -0.123 0.000 1.057 130 L CA -0.287 54.451 54.840 -0.170 0.000 0.811 130 L CB 1.526 43.481 42.059 -0.174 0.000 1.184 130 L HN 0.546 nan 8.230 nan 0.000 0.429 131 V N 6.001 125.847 119.914 -0.113 0.000 2.328 131 V HA 0.297 4.417 4.120 0.000 0.000 0.278 131 V C 0.171 176.225 176.094 -0.067 0.000 1.021 131 V CA -0.532 61.712 62.300 -0.092 0.000 0.838 131 V CB 1.520 33.293 31.823 -0.083 0.000 0.999 131 V HN 0.810 nan 8.190 nan 0.000 0.447 132 Q N 3.094 122.868 119.800 -0.043 0.000 2.249 132 Q HA 0.630 4.970 4.340 0.000 0.000 0.226 132 Q C 0.992 177.011 176.000 0.031 0.000 0.983 132 Q CA -0.079 55.757 55.803 0.056 0.000 0.930 132 Q CB 0.829 29.596 28.738 0.050 0.000 1.193 132 Q HN 0.999 nan 8.270 nan 0.000 0.508 133 A N 0.154 123.045 122.820 0.118 0.000 2.715 133 A HA -0.280 4.040 4.320 0.000 0.000 0.301 133 A C 1.200 178.754 177.584 -0.050 0.000 1.515 133 A CA 0.887 52.943 52.037 0.030 0.000 0.816 133 A CB -1.982 17.020 19.000 0.005 0.000 1.004 133 A HN 0.837 nan 8.150 nan 0.000 0.483 134 A N -1.322 121.456 122.820 -0.071 0.000 2.259 134 A HA 0.326 4.646 4.320 0.000 0.000 0.212 134 A C 1.860 179.394 177.584 -0.083 0.000 1.178 134 A CA 1.835 53.824 52.037 -0.081 0.000 0.734 134 A CB -0.431 18.518 19.000 -0.086 0.000 0.774 134 A HN 2.163 nan 8.150 nan 0.000 0.481 135 A N -1.121 121.640 122.820 -0.099 0.000 2.503 135 A HA 0.563 4.883 4.320 0.000 0.000 0.263 135 A C 1.099 178.607 177.584 -0.127 0.000 1.258 135 A CA 0.522 52.498 52.037 -0.102 0.000 0.936 135 A CB -0.295 18.636 19.000 -0.115 0.000 1.070 135 A HN 0.623 nan 8.150 nan 0.000 0.522 136 G N -2.176 106.555 108.800 -0.115 0.000 2.642 136 G HA2 0.491 4.451 3.960 0.000 0.000 0.291 136 G HA3 0.491 4.451 3.960 0.000 0.000 0.291 136 G C 1.099 175.976 174.900 -0.037 0.000 1.345 136 G CA 0.178 45.210 45.100 -0.114 0.000 1.043 136 G HN 0.422 nan 8.290 nan 0.000 0.528 137 A N -0.714 122.121 122.820 0.025 0.000 1.841 137 A HA -0.028 4.292 4.320 0.000 0.000 0.216 137 A C 2.266 179.836 177.584 -0.024 0.000 1.199 137 A CA 1.629 53.694 52.037 0.045 0.000 0.621 137 A CB -0.794 18.265 19.000 0.099 0.000 0.835 137 A HN 0.564 nan 8.150 nan 0.000 0.445 138 L N -0.352 120.853 121.223 -0.031 0.000 2.131 138 L HA -0.102 4.238 4.340 0.000 0.000 0.210 138 L C 2.324 179.118 176.870 -0.127 0.000 1.092 138 L CA 2.211 56.999 54.840 -0.087 0.000 0.759 138 L CB -1.375 40.651 42.059 -0.054 0.000 0.903 138 L HN 0.445 nan 8.230 nan 0.000 0.435 139 G N -0.526 108.217 108.800 -0.095 0.000 2.414 139 G HA2 -0.301 3.659 3.960 0.000 0.000 0.215 139 G HA3 -0.301 3.659 3.960 0.000 0.000 0.215 139 G C 1.580 176.420 174.900 -0.100 0.000 1.188 139 G CA 1.270 46.312 45.100 -0.096 0.000 0.783 139 G HN 0.505 nan 8.290 nan 0.000 0.537 140 T N -0.424 114.081 114.554 -0.082 0.000 2.833 140 T HA 0.156 4.506 4.350 0.000 0.000 0.269 140 T C 2.492 177.136 174.700 -0.094 0.000 1.054 140 T CA 1.757 63.825 62.100 -0.053 0.000 1.135 140 T CB -0.282 68.583 68.868 -0.005 0.000 0.869 140 T HN 0.333 nan 8.240 nan 0.000 0.466 141 A N 2.007 124.675 122.820 -0.254 0.000 1.854 141 A HA 0.445 4.765 4.320 0.000 0.000 0.214 141 A C 2.891 180.227 177.584 -0.414 0.000 1.192 141 A CA 1.654 53.286 52.037 -0.674 0.000 0.611 141 A CB -1.487 16.776 19.000 -1.228 0.000 0.832 141 A HN 0.726 nan 8.150 nan 0.000 0.442 142 A N -0.348 122.305 122.820 -0.278 0.000 1.917 142 A HA -0.089 4.231 4.320 0.000 0.000 0.219 142 A C 2.231 179.772 177.584 -0.071 0.000 1.182 142 A CA 2.054 53.996 52.037 -0.158 0.000 0.633 142 A CB -1.095 17.819 19.000 -0.143 0.000 0.819 142 A HN 0.441 nan 8.150 nan 0.000 0.448 143 V N -0.070 119.810 119.914 -0.057 0.000 2.287 143 V HA -0.356 3.764 4.120 0.000 0.000 0.248 143 V C 2.669 178.790 176.094 0.045 0.000 1.053 143 V CA 2.393 64.691 62.300 -0.004 0.000 1.027 143 V CB -1.017 30.805 31.823 -0.002 0.000 0.646 143 V HN 0.681 nan 8.190 nan 0.000 0.447 144 Q N -0.432 119.409 119.800 0.067 0.000 2.016 144 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 144 Q C 2.362 178.480 176.000 0.195 0.000 0.978 144 Q CA 1.825 57.716 55.803 0.147 0.000 0.833 144 Q CB -0.436 28.444 28.738 0.237 0.000 0.895 144 Q HN 0.538 nan 8.270 nan 0.000 0.427 145 V N 1.335 121.379 119.914 0.215 0.000 2.392 145 V HA -0.298 3.822 4.120 0.000 0.000 0.249 145 V C 2.287 178.524 176.094 0.239 0.000 1.059 145 V CA 1.822 64.314 62.300 0.320 0.000 1.051 145 V CB -1.066 30.931 31.823 0.291 0.000 0.658 145 V HN 0.407 nan 8.190 nan 0.000 0.455 146 A N 0.296 123.189 122.820 0.122 0.000 1.898 146 A HA -0.188 4.132 4.320 0.000 0.000 0.216 146 A C 2.547 180.200 177.584 0.114 0.000 1.181 146 A CA 2.320 54.407 52.037 0.083 0.000 0.620 146 A CB -0.651 18.372 19.000 0.038 0.000 0.819 146 A HN 0.519 nan 8.150 nan 0.000 0.442 147 R N -0.622 119.951 120.500 0.121 0.000 2.092 147 R HA 0.232 4.572 4.340 0.000 0.000 0.231 147 R C 2.449 178.836 176.300 0.144 0.000 1.119 147 R CA 1.939 58.108 56.100 0.115 0.000 0.970 147 R CB -1.654 28.705 30.300 0.099 0.000 0.864 147 R HN 0.902 nan 8.270 nan 0.000 0.440 148 A N 0.264 123.207 122.820 0.205 0.000 2.067 148 A HA 0.067 4.387 4.320 0.000 0.000 0.219 148 A C 2.238 180.025 177.584 0.339 0.000 1.158 148 A CA 1.534 53.724 52.037 0.254 0.000 0.661 148 A CB -0.203 18.989 19.000 0.320 0.000 0.801 148 A HN 0.538 nan 8.150 nan 0.000 0.452 149 M N -1.302 118.478 119.600 0.299 0.000 2.428 149 M HA 0.213 4.693 4.480 0.000 0.000 0.239 149 M C 1.132 177.508 176.300 0.128 0.000 1.121 149 M CA 0.653 56.082 55.300 0.216 0.000 1.019 149 M CB 0.428 33.087 32.600 0.098 0.000 1.485 149 M HN 0.552 nan 8.290 nan 0.000 0.484 150 G N 1.851 110.724 108.800 0.120 0.000 2.198 150 G HA2 -0.217 3.743 3.960 0.000 0.000 0.257 150 G HA3 -0.217 3.743 3.960 0.000 0.000 0.257 150 G C -0.160 174.780 174.900 0.066 0.000 1.042 150 G CA -0.138 45.012 45.100 0.083 0.000 0.791 150 G HN 0.416 nan 8.290 nan 0.000 0.502 151 L N -0.506 120.760 121.223 0.071 0.000 2.387 151 L HA 0.651 4.991 4.340 0.000 0.000 0.266 151 L C 0.947 177.872 176.870 0.092 0.000 1.059 151 L CA -1.226 53.655 54.840 0.069 0.000 0.801 151 L CB 0.813 42.906 42.059 0.056 0.000 1.223 151 L HN 0.042 nan 8.230 nan 0.000 0.456 152 R N 1.176 121.751 120.500 0.125 0.000 2.254 152 R HA 0.434 4.774 4.340 0.000 0.000 0.318 152 R C -1.037 175.443 176.300 0.300 0.000 1.031 152 R CA -0.594 55.622 56.100 0.194 0.000 0.905 152 R CB 1.342 31.742 30.300 0.166 0.000 1.050 152 R HN 0.287 nan 8.270 nan 0.000 0.456 153 V N 5.232 125.307 119.914 0.268 0.000 2.370 153 V HA 0.262 4.382 4.120 0.000 0.000 0.283 153 V C 0.245 176.413 176.094 0.122 0.000 1.023 153 V CA -0.693 61.702 62.300 0.158 0.000 0.857 153 V CB 1.658 33.529 31.823 0.081 0.000 0.985 153 V HN 0.590 nan 8.190 nan 0.000 0.443 154 L N 5.290 126.397 121.223 -0.194 0.000 2.262 154 L HA 0.753 5.093 4.340 0.000 0.000 0.288 154 L C 0.366 177.086 176.870 -0.250 0.000 1.035 154 L CA -0.322 54.231 54.840 -0.478 0.000 0.820 154 L CB 1.081 42.490 42.059 -1.085 0.000 1.204 154 L HN 0.767 nan 8.230 nan 0.000 0.424 155 A N 4.578 127.308 122.820 -0.151 0.000 2.306 155 A HA 0.833 5.153 4.320 0.000 0.000 0.314 155 A C -0.440 177.058 177.584 -0.143 0.000 1.164 155 A CA -0.237 51.728 52.037 -0.119 0.000 0.822 155 A CB 1.249 20.203 19.000 -0.076 0.000 1.130 155 A HN 0.850 nan 8.150 nan 0.000 0.496 156 A N 0.871 123.609 122.820 -0.138 0.000 2.414 156 A HA 0.903 5.223 4.320 0.000 0.000 0.306 156 A C -0.232 177.146 177.584 -0.342 0.000 1.054 156 A CA 0.111 52.027 52.037 -0.203 0.000 0.724 156 A CB 1.409 20.373 19.000 -0.060 0.000 1.267 156 A HN 2.427 nan 8.150 nan 0.000 0.418 157 A N 0.216 122.645 122.820 -0.651 0.000 2.564 157 A HA 0.755 5.075 4.320 0.000 0.000 0.288 157 A C 0.833 177.754 177.584 -1.105 0.000 1.164 157 A CA 0.303 51.910 52.037 -0.717 0.000 0.712 157 A CB 0.557 19.357 19.000 -0.333 0.000 1.303 157 A HN 1.969 nan 8.150 nan 0.000 0.418 158 S N -0.577 114.749 115.700 -0.624 0.000 2.528 158 S HA 0.180 4.650 4.470 0.000 0.000 0.219 158 S C 0.624 175.129 174.600 -0.158 0.000 0.985 158 S CA 0.297 58.326 58.200 -0.285 0.000 0.914 158 S CB -0.127 63.132 63.200 0.099 0.000 0.776 158 S HN 0.612 nan 8.310 nan 0.000 0.526 159 R N 0.494 120.894 120.500 -0.166 0.000 2.686 159 R HA 0.424 4.764 4.340 0.000 0.000 0.283 159 R C -2.559 173.676 176.300 -0.108 0.000 0.978 159 R CA -2.253 53.787 56.100 -0.100 0.000 0.897 159 R CB 1.356 31.620 30.300 -0.060 0.000 1.192 159 R HN -0.041 nan 8.270 nan 0.000 0.457 160 P HA -0.232 nan 4.420 nan 0.000 0.215 160 P C 0.833 178.097 177.300 -0.060 0.000 1.153 160 P CA 1.178 64.237 63.100 -0.069 0.000 0.853 160 P CB 0.282 31.954 31.700 -0.046 0.000 0.788 161 E N 0.540 120.711 120.200 -0.049 0.000 2.472 161 E HA -0.156 4.194 4.350 0.000 0.000 0.200 161 E C 1.111 177.682 176.600 -0.049 0.000 1.046 161 E CA 1.074 57.450 56.400 -0.040 0.000 0.871 161 E CB -0.594 29.090 29.700 -0.028 0.000 0.806 161 E HN 0.327 nan 8.360 nan 0.000 0.533 162 K N 0.466 120.825 120.400 -0.069 0.000 2.356 162 K HA 0.216 4.536 4.320 0.000 0.000 0.195 162 K C 2.132 178.682 176.600 -0.082 0.000 1.037 162 K CA 0.033 56.272 56.287 -0.080 0.000 1.014 162 K CB 0.163 32.600 32.500 -0.105 0.000 0.815 162 K HN 0.089 nan 8.250 nan 0.000 0.507 163 L N 0.655 121.828 121.223 -0.083 0.000 2.275 163 L HA -0.108 4.232 4.340 0.000 0.000 0.215 163 L C 2.476 179.318 176.870 -0.048 0.000 1.119 163 L CA 0.730 55.524 54.840 -0.076 0.000 0.790 163 L CB -0.646 41.367 42.059 -0.077 0.000 0.919 163 L HN 0.170 nan 8.230 nan 0.000 0.443 164 A N 0.335 123.133 122.820 -0.037 0.000 1.902 164 A HA -0.182 4.138 4.320 0.000 0.000 0.217 164 A C 2.326 179.899 177.584 -0.017 0.000 1.181 164 A CA 1.258 53.282 52.037 -0.022 0.000 0.623 164 A CB -0.547 18.442 19.000 -0.018 0.000 0.818 164 A HN 0.353 nan 8.150 nan 0.000 0.443 165 L N -0.330 120.879 121.223 -0.023 0.000 1.989 165 L HA -0.125 4.215 4.340 0.000 0.000 0.211 165 L C -0.503 176.361 176.870 -0.011 0.000 1.071 165 L CA 2.044 56.874 54.840 -0.015 0.000 0.749 165 L CB -1.120 40.925 42.059 -0.023 0.000 0.890 165 L HN 0.237 nan 8.230 nan 0.000 0.431 166 P HA -0.222 nan 4.420 nan 0.000 0.215 166 P C 1.899 179.198 177.300 -0.001 0.000 1.153 166 P CA 1.179 64.268 63.100 -0.019 0.000 0.853 166 P CB 0.002 31.676 31.700 -0.043 0.000 0.788 167 L N -0.894 120.327 121.223 -0.002 0.000 2.131 167 L HA -0.123 4.217 4.340 0.000 0.000 0.210 167 L C 2.040 178.921 176.870 0.018 0.000 1.092 167 L CA 2.140 56.988 54.840 0.013 0.000 0.759 167 L CB -1.325 40.738 42.059 0.008 0.000 0.903 167 L HN -0.030 nan 8.230 nan 0.000 0.435 168 A N -0.701 122.126 122.820 0.012 0.000 1.970 168 A HA -0.095 4.225 4.320 0.000 0.000 0.216 168 A C 2.121 179.720 177.584 0.024 0.000 1.170 168 A CA 0.682 52.729 52.037 0.016 0.000 0.645 168 A CB -0.344 18.663 19.000 0.011 0.000 0.816 168 A HN 0.438 nan 8.150 nan 0.000 0.447 169 L N -1.567 119.673 121.223 0.027 0.000 2.478 169 L HA 0.137 4.477 4.340 0.000 0.000 0.223 169 L C 1.701 178.599 176.870 0.046 0.000 1.140 169 L CA 0.821 55.685 54.840 0.040 0.000 0.842 169 L CB 0.066 42.150 42.059 0.042 0.000 0.953 169 L HN 0.586 nan 8.230 nan 0.000 0.452 170 G N -1.316 107.509 108.800 0.043 0.000 2.370 170 G HA2 -0.104 3.856 3.960 0.000 0.000 0.174 170 G HA3 -0.104 3.856 3.960 0.000 0.000 0.174 170 G C 0.332 175.271 174.900 0.064 0.000 1.002 170 G CA -0.266 44.865 45.100 0.052 0.000 0.730 170 G HN 0.321 nan 8.290 nan 0.000 0.497 171 A N 0.775 123.631 122.820 0.059 0.000 2.546 171 A HA 0.527 4.847 4.320 0.000 0.000 0.243 171 A C 1.190 178.844 177.584 0.117 0.000 1.063 171 A CA 1.365 53.450 52.037 0.081 0.000 0.757 171 A CB 0.357 19.383 19.000 0.044 0.000 0.991 171 A HN 0.586 nan 8.150 nan 0.000 0.503 172 E N 1.563 121.884 120.200 0.202 0.000 2.106 172 E HA -0.086 4.264 4.350 0.000 0.000 0.192 172 E C 0.306 177.055 176.600 0.249 0.000 0.984 172 E CA 1.196 57.721 56.400 0.209 0.000 0.806 172 E CB 0.121 29.962 29.700 0.235 0.000 0.750 172 E HN 0.822 nan 8.360 nan 0.000 0.458 173 E N -1.276 119.128 120.200 0.339 0.000 2.429 173 E HA 0.627 4.977 4.350 0.000 0.000 0.276 173 E C -1.706 174.944 176.600 0.083 0.000 0.953 173 E CA -0.747 55.800 56.400 0.245 0.000 0.787 173 E CB 2.232 32.188 29.700 0.427 0.000 1.307 173 E HN 0.125 nan 8.360 nan 0.000 0.458 174 A N 0.722 123.557 122.820 0.026 0.000 2.486 174 A HA 0.892 5.212 4.320 0.000 0.000 0.300 174 A C -1.544 176.003 177.584 -0.061 0.000 1.048 174 A CA -0.175 51.837 52.037 -0.041 0.000 0.696 174 A CB 1.818 20.796 19.000 -0.036 0.000 1.278 174 A HN 0.579 nan 8.150 nan 0.000 0.405 175 A N 0.622 123.377 122.820 -0.108 0.000 2.606 175 A HA 0.881 5.201 4.320 0.000 0.000 0.293 175 A C -0.036 177.444 177.584 -0.172 0.000 1.082 175 A CA 0.080 52.051 52.037 -0.110 0.000 0.685 175 A CB 0.685 19.631 19.000 -0.092 0.000 1.284 175 A HN 1.947 nan 8.150 nan 0.000 0.408 176 T N -1.089 113.370 114.554 -0.159 0.000 2.882 176 T HA 0.434 4.784 4.350 0.000 0.000 0.287 176 T C 0.882 175.487 174.700 -0.158 0.000 1.014 176 T CA 0.004 61.961 62.100 -0.238 0.000 1.049 176 T CB 0.121 68.900 68.868 -0.148 0.000 1.001 176 T HN 0.455 nan 8.240 nan 0.000 0.525 177 Y N 1.315 121.578 120.300 -0.061 0.000 2.069 177 Y HA -0.144 4.406 4.550 0.000 0.000 0.278 177 Y C 3.006 178.873 175.900 -0.056 0.000 1.175 177 Y CA 1.580 59.641 58.100 -0.065 0.000 1.134 177 Y CB -1.581 36.842 38.460 -0.061 0.000 0.965 177 Y HN 0.856 nan 8.280 nan 0.000 0.498 178 A N -0.074 122.816 122.820 0.116 0.000 2.032 178 A HA -0.182 4.138 4.320 0.000 0.000 0.221 178 A C 2.029 179.626 177.584 0.022 0.000 1.165 178 A CA 2.197 54.265 52.037 0.053 0.000 0.645 178 A CB -0.996 18.025 19.000 0.034 0.000 0.807 178 A HN 0.540 nan 8.150 nan 0.000 0.453 179 E N -0.916 119.287 120.200 0.005 0.000 2.474 179 E HA 0.420 4.770 4.350 0.000 0.000 0.195 179 E C 1.561 178.147 176.600 -0.025 0.000 1.039 179 E CA 0.606 56.999 56.400 -0.011 0.000 0.881 179 E CB -0.780 28.907 29.700 -0.022 0.000 0.970 179 E HN 0.356 nan 8.360 nan 0.000 0.486 180 V N 1.090 120.992 119.914 -0.020 0.000 2.261 180 V HA -0.193 3.927 4.120 0.000 0.000 0.246 180 V C -0.332 175.726 176.094 -0.060 0.000 1.047 180 V CA 2.402 64.670 62.300 -0.053 0.000 1.015 180 V CB -0.750 31.058 31.823 -0.024 0.000 0.642 180 V HN 0.361 nan 8.190 nan 0.000 0.446 181 P HA -0.233 nan 4.420 nan 0.000 0.217 181 P C 1.762 179.052 177.300 -0.018 0.000 1.162 181 P CA 2.835 65.919 63.100 -0.027 0.000 0.901 181 P CB -0.138 31.554 31.700 -0.014 0.000 0.793 182 E N 0.142 120.337 120.200 -0.008 0.000 2.058 182 E HA -0.281 4.069 4.350 0.000 0.000 0.194 182 E C 2.027 178.642 176.600 0.024 0.000 0.997 182 E CA 1.581 57.987 56.400 0.011 0.000 0.801 182 E CB -1.356 28.352 29.700 0.013 0.000 0.746 182 E HN 0.130 nan 8.360 nan 0.000 0.450 183 R N 0.082 120.577 120.500 -0.008 0.000 2.120 183 R HA 0.112 4.452 4.340 0.000 0.000 0.234 183 R C 2.591 178.869 176.300 -0.036 0.000 1.123 183 R CA 1.320 57.417 56.100 -0.006 0.000 0.975 183 R CB -1.281 28.940 30.300 -0.131 0.000 0.866 183 R HN 0.529 nan 8.270 nan 0.000 0.446 184 A N 1.517 124.283 122.820 -0.090 0.000 1.933 184 A HA -0.175 4.145 4.320 0.000 0.000 0.218 184 A C 2.519 180.141 177.584 0.064 0.000 1.175 184 A CA 2.550 54.550 52.037 -0.062 0.000 0.628 184 A CB -0.566 18.392 19.000 -0.070 0.000 0.814 184 A HN 0.376 nan 8.150 nan 0.000 0.444 185 K N -0.500 119.936 120.400 0.061 0.000 2.057 185 K HA 0.225 4.545 4.320 0.000 0.000 0.206 185 K C 2.373 179.044 176.600 0.118 0.000 1.050 185 K CA 1.816 58.148 56.287 0.074 0.000 0.935 185 K CB -1.395 31.134 32.500 0.048 0.000 0.715 185 K HN 0.903 nan 8.250 nan 0.000 0.439 186 A N -0.381 122.536 122.820 0.162 0.000 1.972 186 A HA -0.042 4.278 4.320 0.000 0.000 0.219 186 A C 2.157 179.879 177.584 0.231 0.000 1.169 186 A CA 1.465 53.613 52.037 0.184 0.000 0.635 186 A CB -0.658 18.471 19.000 0.214 0.000 0.810 186 A HN 0.770 nan 8.150 nan 0.000 0.446 187 W N -1.112 120.185 121.300 -0.004 0.000 2.678 187 W HA 0.323 4.983 4.660 -0.000 0.000 0.256 187 W C 1.664 178.180 176.519 -0.004 0.000 1.280 187 W CA 0.796 58.138 57.345 -0.005 0.000 1.345 187 W CB -0.371 29.085 29.460 -0.006 0.000 1.118 187 W HN 0.612 nan 8.180 nan 0.000 0.629 188 G N 0.019 108.938 108.800 0.199 0.000 2.142 188 G HA2 0.194 4.154 3.960 0.000 0.000 0.225 188 G HA3 0.194 4.154 3.960 0.000 0.000 0.225 188 G C 0.567 175.532 174.900 0.107 0.000 1.015 188 G CA -0.008 45.160 45.100 0.112 0.000 0.716 188 G HN 1.010 nan 8.290 nan 0.000 0.508 189 G N -1.777 107.097 108.800 0.123 0.000 2.663 189 G HA2 0.214 4.174 3.960 0.000 0.000 0.686 189 G HA3 0.214 4.174 3.960 0.000 0.000 0.686 189 G C -0.432 174.526 174.900 0.097 0.000 1.246 189 G CA -0.310 44.838 45.100 0.080 0.000 0.795 189 G HN 1.234 nan 8.290 nan 0.000 0.627 190 L N 1.111 122.361 121.223 0.044 0.000 2.322 190 L HA 0.455 4.795 4.340 0.000 0.000 0.279 190 L C 0.875 177.762 176.870 0.029 0.000 1.036 190 L CA -1.010 53.851 54.840 0.035 0.000 0.807 190 L CB 1.521 43.560 42.059 -0.033 0.000 1.226 190 L HN 0.658 nan 8.230 nan 0.000 0.433 191 D N 2.347 122.771 120.400 0.040 0.000 2.249 191 D HA 0.169 4.809 4.640 0.000 0.000 0.205 191 D C 0.105 176.406 176.300 0.001 0.000 0.962 191 D CA 1.162 55.177 54.000 0.024 0.000 0.860 191 D CB 0.656 41.476 40.800 0.033 0.000 0.955 191 D HN 0.231 nan 8.370 nan 0.000 0.505 192 L N 0.121 121.339 121.223 -0.009 0.000 2.434 192 L HA 0.446 4.786 4.340 0.000 0.000 0.260 192 L C -1.111 175.725 176.870 -0.056 0.000 0.983 192 L CA -0.753 54.067 54.840 -0.033 0.000 0.820 192 L CB 3.468 45.504 42.059 -0.039 0.000 1.361 192 L HN -0.385 nan 8.230 nan 0.000 0.410 193 V N 3.451 123.324 119.914 -0.069 0.000 2.612 193 V HA 0.374 4.494 4.120 0.000 0.000 0.301 193 V C -0.471 175.557 176.094 -0.110 0.000 1.059 193 V CA -0.389 61.856 62.300 -0.092 0.000 0.886 193 V CB 2.198 33.967 31.823 -0.090 0.000 1.007 193 V HN 0.484 nan 8.190 nan 0.000 0.426 194 L N 4.454 125.601 121.223 -0.127 0.000 2.270 194 L HA 0.484 4.824 4.340 0.000 0.000 0.286 194 L C 0.350 177.117 176.870 -0.173 0.000 1.059 194 L CA -0.270 54.479 54.840 -0.152 0.000 0.839 194 L CB 0.685 42.651 42.059 -0.154 0.000 1.221 194 L HN 0.545 nan 8.230 nan 0.000 0.431 195 E N 3.079 123.147 120.200 -0.220 0.000 2.052 195 E HA 0.096 4.446 4.350 0.000 0.000 0.283 195 E C 0.613 177.011 176.600 -0.337 0.000 1.071 195 E CA -0.016 56.190 56.400 -0.322 0.000 0.851 195 E CB 1.831 31.231 29.700 -0.500 0.000 1.066 195 E HN 0.518 nan 8.360 nan 0.000 0.396 196 V N 1.723 121.479 119.914 -0.264 0.000 3.605 196 V HA 0.194 4.314 4.120 0.000 0.000 0.284 196 V C 1.536 177.484 176.094 -0.243 0.000 1.386 196 V CA -0.032 62.136 62.300 -0.220 0.000 1.053 196 V CB 0.234 31.957 31.823 -0.165 0.000 0.857 196 V HN 0.317 nan 8.190 nan 0.000 0.436 197 R N 1.580 121.913 120.500 -0.278 0.000 2.048 197 R HA 0.309 4.649 4.340 0.000 0.000 0.224 197 R C 2.182 178.353 176.300 -0.215 0.000 1.163 197 R CA 1.415 57.355 56.100 -0.267 0.000 0.956 197 R CB -0.748 29.345 30.300 -0.346 0.000 0.849 197 R HN 0.724 nan 8.270 nan 0.000 0.435 198 G N -0.046 108.595 108.800 -0.266 0.000 2.320 198 G HA2 -0.427 3.533 3.960 0.000 0.000 0.242 198 G HA3 -0.427 3.533 3.960 0.000 0.000 0.242 198 G C 1.271 176.148 174.900 -0.038 0.000 1.033 198 G CA 1.061 46.074 45.100 -0.145 0.000 0.620 198 G HN 0.513 nan 8.290 nan 0.000 0.517 199 K N -0.517 119.834 120.400 -0.081 0.000 2.103 199 K HA 0.523 4.844 4.320 0.000 0.000 0.204 199 K C 2.072 178.635 176.600 -0.061 0.000 1.052 199 K CA 2.582 58.835 56.287 -0.056 0.000 0.945 199 K CB -0.915 31.541 32.500 -0.074 0.000 0.722 199 K HN 1.696 nan 8.250 nan 0.000 0.443 200 E N 0.498 120.636 120.200 -0.104 0.000 2.496 200 E HA 0.467 4.817 4.350 0.000 0.000 0.200 200 E C 1.625 178.178 176.600 -0.078 0.000 1.016 200 E CA 0.360 56.707 56.400 -0.090 0.000 0.962 200 E CB -0.649 28.980 29.700 -0.119 0.000 1.071 200 E HN 0.241 nan 8.360 nan 0.000 0.457 201 V N 1.088 120.966 119.914 -0.059 0.000 2.313 201 V HA -0.354 3.766 4.120 0.000 0.000 0.253 201 V C 3.040 179.125 176.094 -0.015 0.000 1.070 201 V CA 3.037 65.317 62.300 -0.034 0.000 1.057 201 V CB -0.966 30.903 31.823 0.077 0.000 0.653 201 V HN 0.805 nan 8.190 nan 0.000 0.450 202 E N -0.071 120.126 120.200 -0.005 0.000 2.051 202 E HA -0.288 4.062 4.350 0.000 0.000 0.192 202 E C 2.218 178.807 176.600 -0.018 0.000 0.991 202 E CA 2.214 58.611 56.400 -0.005 0.000 0.799 202 E CB -1.128 28.570 29.700 -0.003 0.000 0.748 202 E HN 0.831 nan 8.360 nan 0.000 0.449 203 E N 0.501 120.683 120.200 -0.030 0.000 2.209 203 E HA -0.123 4.227 4.350 0.000 0.000 0.196 203 E C 2.316 178.890 176.600 -0.043 0.000 0.993 203 E CA 1.523 57.901 56.400 -0.035 0.000 0.819 203 E CB -0.850 28.824 29.700 -0.044 0.000 0.745 203 E HN 0.518 nan 8.360 nan 0.000 0.477 204 S N 0.052 115.720 115.700 -0.054 0.000 2.371 204 S HA 0.048 4.518 4.470 0.000 0.000 0.224 204 S C 2.101 176.675 174.600 -0.043 0.000 1.029 204 S CA 0.991 59.153 58.200 -0.063 0.000 0.978 204 S CB -0.185 62.962 63.200 -0.089 0.000 0.833 204 S HN 0.531 nan 8.310 nan 0.000 0.466 205 L N 1.080 122.287 121.223 -0.027 0.000 2.191 205 L HA -0.047 4.293 4.340 0.000 0.000 0.212 205 L C 2.512 179.375 176.870 -0.013 0.000 1.103 205 L CA 0.994 55.825 54.840 -0.014 0.000 0.769 205 L CB -0.828 41.230 42.059 -0.002 0.000 0.908 205 L HN 0.402 nan 8.230 nan 0.000 0.438 206 G N -0.270 108.520 108.800 -0.016 0.000 2.598 206 G HA2 -0.065 3.895 3.960 0.000 0.000 0.215 206 G HA3 -0.065 3.895 3.960 0.000 0.000 0.215 206 G C 1.479 176.372 174.900 -0.012 0.000 1.131 206 G CA 0.092 45.185 45.100 -0.011 0.000 0.785 206 G HN 0.296 nan 8.290 nan 0.000 0.539 207 L N -0.028 121.182 121.223 -0.022 0.000 2.529 207 L HA 0.340 4.680 4.340 0.000 0.000 0.223 207 L C 0.800 177.661 176.870 -0.015 0.000 1.113 207 L CA -0.237 54.588 54.840 -0.025 0.000 0.861 207 L CB -0.037 41.992 42.059 -0.049 0.000 1.012 207 L HN 0.064 nan 8.230 nan 0.000 0.461 208 L N 0.643 121.859 121.223 -0.012 0.000 2.380 208 L HA 0.322 4.662 4.340 0.000 0.000 0.273 208 L C 0.734 177.609 176.870 0.008 0.000 1.138 208 L CA -0.374 54.464 54.840 -0.003 0.000 0.832 208 L CB 1.059 43.115 42.059 -0.006 0.000 1.124 208 L HN 0.063 nan 8.230 nan 0.000 0.454 209 A N 1.392 124.222 122.820 0.017 0.000 2.240 209 A HA 0.526 4.846 4.320 0.000 0.000 0.292 209 A C 0.376 177.970 177.584 0.016 0.000 1.121 209 A CA 0.071 52.121 52.037 0.022 0.000 0.851 209 A CB -0.078 18.942 19.000 0.034 0.000 1.167 209 A HN 0.878 nan 8.150 nan 0.000 0.503 210 H N -1.387 117.692 119.070 0.015 0.000 3.001 210 H HA 0.428 4.984 4.556 0.000 0.000 0.334 210 H C 1.764 177.098 175.328 0.011 0.000 1.034 210 H CA 0.368 56.423 56.048 0.012 0.000 1.420 210 H CB -0.326 29.442 29.762 0.011 0.000 1.405 210 H HN 2.498 nan 8.280 nan 0.000 0.593 211 G N 1.431 110.236 108.800 0.008 0.000 2.168 211 G HA2 -0.039 3.921 3.960 0.000 0.000 0.257 211 G HA3 -0.039 3.921 3.960 0.000 0.000 0.257 211 G C 0.985 175.889 174.900 0.006 0.000 0.997 211 G CA 0.948 46.052 45.100 0.007 0.000 0.708 211 G HN 1.853 nan 8.290 nan 0.000 0.520 212 G N -0.234 108.570 108.800 0.006 0.000 2.503 212 G HA2 0.601 4.561 3.960 0.000 0.000 0.257 212 G HA3 0.601 4.561 3.960 0.000 0.000 0.257 212 G C 0.222 175.122 174.900 0.000 0.000 1.214 212 G CA -0.252 44.850 45.100 0.003 0.000 0.839 212 G HN 0.774 nan 8.290 nan 0.000 0.559 213 R N 1.700 122.197 120.500 -0.005 0.000 2.561 213 R HA 0.463 4.803 4.340 0.000 0.000 0.297 213 R C -1.439 174.854 176.300 -0.012 0.000 0.969 213 R CA -0.984 55.114 56.100 -0.003 0.000 0.879 213 R CB 1.784 32.083 30.300 -0.003 0.000 1.178 213 R HN 0.465 nan 8.270 nan 0.000 0.445 214 L N 2.543 123.765 121.223 -0.002 0.000 2.282 214 L HA 0.421 4.761 4.340 0.000 0.000 0.288 214 L C -0.938 175.938 176.870 0.010 0.000 1.033 214 L CA -0.956 53.876 54.840 -0.014 0.000 0.807 214 L CB 1.611 43.664 42.059 -0.010 0.000 1.209 214 L HN 0.404 nan 8.230 nan 0.000 0.423 215 V N 5.329 125.229 119.914 -0.024 0.000 2.364 215 V HA 0.127 4.247 4.120 0.000 0.000 0.272 215 V C -0.554 175.551 176.094 0.019 0.000 1.036 215 V CA -0.402 61.902 62.300 0.006 0.000 0.880 215 V CB 0.851 32.626 31.823 -0.081 0.000 0.991 215 V HN 0.567 nan 8.190 nan 0.000 0.460 216 Y N 5.460 125.777 120.300 0.028 0.000 2.600 216 Y HA 0.375 4.925 4.550 0.000 0.000 0.351 216 Y C 0.979 176.933 175.900 0.090 0.000 1.042 216 Y CA -0.371 57.750 58.100 0.035 0.000 1.333 216 Y CB 0.605 39.087 38.460 0.038 0.000 1.172 216 Y HN 0.630 nan 8.280 nan 0.000 0.517 217 I N 2.871 123.499 120.570 0.097 0.000 3.462 217 I HA 0.260 4.430 4.170 0.000 0.000 0.290 217 I C 1.213 177.449 176.117 0.199 0.000 1.236 217 I CA 0.548 61.948 61.300 0.167 0.000 1.418 217 I CB 0.224 38.206 38.000 -0.031 0.000 1.102 217 I HN 0.665 nan 8.210 nan 0.000 0.441 218 G N 0.277 109.132 108.800 0.092 0.000 2.576 218 G HA2 0.624 4.584 3.960 0.000 0.000 0.290 218 G HA3 0.624 4.584 3.960 0.000 0.000 0.290 218 G C -1.580 173.354 174.900 0.056 0.000 1.442 218 G CA 0.070 45.233 45.100 0.105 0.000 0.792 218 G HN -0.038 nan 8.290 nan 0.000 0.491 219 A N -0.476 122.404 122.820 0.099 0.000 3.308 219 A HA 0.707 5.027 4.320 0.000 0.000 0.275 219 A C 1.218 178.810 177.584 0.013 0.000 0.950 219 A CA 1.025 53.111 52.037 0.082 0.000 0.987 219 A CB 0.158 19.275 19.000 0.195 0.000 1.146 219 A HN 1.953 nan 8.150 nan 0.000 0.488 220 A N -0.080 122.659 122.820 -0.134 0.000 2.015 220 A HA 0.040 4.360 4.320 0.000 0.000 0.219 220 A C 1.206 178.741 177.584 -0.081 0.000 1.163 220 A CA 0.803 52.676 52.037 -0.273 0.000 0.646 220 A CB -0.186 18.369 19.000 -0.742 0.000 0.806 220 A HN 0.578 nan 8.150 nan 0.000 0.448 226 P HA 0.508 nan 4.420 nan 0.000 0.272 226 P C -0.139 177.171 177.300 0.018 0.000 1.243 226 P CA 0.541 63.641 63.100 0.000 0.000 0.803 226 P CB 0.295 31.991 31.700 -0.006 0.000 0.974 227 I N -0.226 120.351 120.570 0.011 0.000 2.542 227 I HA 0.358 4.528 4.170 0.000 0.000 0.278 227 I C -2.431 173.692 176.117 0.010 0.000 1.069 227 I CA -2.178 59.135 61.300 0.022 0.000 1.100 227 I CB 0.640 38.663 38.000 0.039 0.000 1.204 227 I HN 0.282 nan 8.210 nan 0.000 0.470 228 P HA 0.274 nan 4.420 nan 0.000 0.247 228 P C -2.502 174.801 177.300 0.003 0.000 1.147 228 P CA -0.626 62.476 63.100 0.003 0.000 0.964 228 P CB -0.485 31.217 31.700 0.003 0.000 0.944 229 P HA 0.092 nan 4.420 nan 0.000 0.263 229 P C 0.670 177.971 177.300 0.002 0.000 1.276 229 P CA 0.931 64.032 63.100 0.002 0.000 0.986 229 P CB -0.146 31.554 31.700 -0.001 0.000 1.105 230 L N 1.404 122.629 121.223 0.003 0.000 1.517 230 L HA 0.109 4.449 4.340 0.000 0.000 0.157 230 L C 2.135 179.007 176.870 0.003 0.000 1.307 230 L CA 0.516 55.358 54.840 0.002 0.000 1.278 230 L CB -1.216 40.843 42.059 0.001 0.000 2.582 230 L HN 0.155 nan 8.230 nan 0.000 0.484 231 R N 0.454 120.956 120.500 0.003 0.000 2.148 231 R HA 0.327 4.667 4.340 0.000 0.000 0.227 231 R C 2.050 178.352 176.300 0.005 0.000 1.103 231 R CA 1.572 57.674 56.100 0.004 0.000 0.983 231 R CB -1.136 29.166 30.300 0.003 0.000 0.874 231 R HN 0.792 nan 8.270 nan 0.000 0.451 232 L N -0.391 120.836 121.223 0.006 0.000 2.056 232 L HA -0.097 4.243 4.340 0.000 0.000 0.207 232 L C 2.939 179.813 176.870 0.006 0.000 1.078 232 L CA 1.647 56.491 54.840 0.007 0.000 0.749 232 L CB -0.397 41.667 42.059 0.008 0.000 0.901 232 L HN 0.357 nan 8.230 nan 0.000 0.433 233 M N -0.443 119.159 119.600 0.005 0.000 2.086 233 M HA -0.230 4.250 4.480 0.000 0.000 0.261 233 M C 2.964 179.267 176.300 0.004 0.000 1.067 233 M CA 2.183 57.485 55.300 0.004 0.000 1.116 233 M CB -0.687 31.915 32.600 0.003 0.000 1.348 233 M HN 0.273 nan 8.290 nan 0.000 0.407 234 R N 1.185 121.687 120.500 0.004 0.000 2.133 234 R HA -0.131 4.209 4.340 0.000 0.000 0.247 234 R C 1.808 178.111 176.300 0.005 0.000 1.151 234 R CA 2.189 58.291 56.100 0.004 0.000 0.971 234 R CB -1.385 28.917 30.300 0.004 0.000 0.866 234 R HN 0.532 nan 8.270 nan 0.000 0.447 235 R N -1.143 119.361 120.500 0.005 0.000 2.577 235 R HA 0.190 4.530 4.340 0.000 0.000 0.344 235 R C -0.400 175.904 176.300 0.006 0.000 1.037 235 R CA 0.064 56.168 56.100 0.006 0.000 1.102 235 R CB 0.162 30.466 30.300 0.007 0.000 1.313 235 R HN 0.591 nan 8.270 nan 0.000 0.561 236 N N 1.178 119.882 118.700 0.006 0.000 2.725 236 N HA -0.184 4.556 4.740 0.000 0.000 0.251 236 N C -0.824 174.689 175.510 0.006 0.000 1.031 236 N CA 0.429 53.483 53.050 0.006 0.000 0.720 236 N CB -0.871 37.619 38.487 0.005 0.000 0.930 236 N HN 0.222 nan 8.380 nan 0.000 0.543 237 L N -0.497 120.731 121.223 0.007 0.000 2.468 237 L HA 0.745 5.085 4.340 0.000 0.000 0.254 237 L C 0.846 177.722 176.870 0.010 0.000 1.171 237 L CA -0.669 54.175 54.840 0.008 0.000 0.809 237 L CB 0.905 42.968 42.059 0.007 0.000 1.155 237 L HN 0.226 nan 8.230 nan 0.000 0.473 238 A N 0.873 123.700 122.820 0.012 0.000 2.475 238 A HA 0.761 5.081 4.320 0.000 0.000 0.301 238 A C -1.252 176.349 177.584 0.028 0.000 1.059 238 A CA -0.460 51.587 52.037 0.018 0.000 0.710 238 A CB 1.916 20.925 19.000 0.015 0.000 1.288 238 A HN 0.327 nan 8.150 nan 0.000 0.408 239 V N 2.164 122.101 119.914 0.039 0.000 2.487 239 V HA 0.510 4.630 4.120 0.000 0.000 0.298 239 V C -1.176 174.961 176.094 0.073 0.000 1.028 239 V CA -0.374 61.965 62.300 0.065 0.000 0.860 239 V CB 1.265 33.132 31.823 0.073 0.000 0.991 239 V HN 0.687 nan 8.190 nan 0.000 0.427 240 L N 4.491 125.776 121.223 0.102 0.000 2.319 240 L HA 0.707 5.047 4.340 0.000 0.000 0.281 240 L C 0.802 177.783 176.870 0.184 0.000 1.005 240 L CA 0.165 55.077 54.840 0.120 0.000 0.828 240 L CB 1.506 43.635 42.059 0.117 0.000 1.227 240 L HN 0.722 nan 8.230 nan 0.000 0.415 241 G N 1.906 110.790 108.800 0.141 0.000 2.483 241 G HA2 0.413 4.373 3.960 0.000 0.000 0.248 241 G HA3 0.413 4.373 3.960 0.000 0.000 0.248 241 G C -1.304 173.749 174.900 0.255 0.000 1.248 241 G CA 0.003 45.194 45.100 0.152 0.000 0.838 241 G HN 0.388 nan 8.290 nan 0.000 0.566 242 F N 1.810 121.846 119.950 0.143 0.000 2.581 242 F HA 0.658 5.185 4.527 0.000 0.000 0.311 242 F C -2.027 173.936 175.800 0.272 0.000 1.113 242 F CA -1.512 56.587 58.000 0.165 0.000 0.935 242 F CB 2.109 41.185 39.000 0.128 0.000 1.232 242 F HN 0.507 nan 8.300 nan 0.000 0.445 243 W N 8.987 129.857 121.300 -0.716 0.000 3.089 243 W HA 0.280 4.940 4.660 0.000 0.000 0.333 243 W C -0.597 175.545 176.519 -0.629 0.000 1.053 243 W CA -1.281 55.811 57.345 -0.421 0.000 1.257 243 W CB 1.181 30.504 29.460 -0.229 0.000 1.281 243 W HN 0.637 nan 8.180 nan 0.000 0.427 244 L N 3.765 124.768 121.223 -0.366 0.000 2.042 244 L HA -0.191 4.149 4.340 0.000 0.000 0.210 244 L C 1.620 178.199 176.870 -0.485 0.000 1.076 244 L CA 2.718 57.373 54.840 -0.309 0.000 0.749 244 L CB -0.718 41.412 42.059 0.119 0.000 0.893 244 L HN 0.549 nan 8.230 nan 0.000 0.432 245 T N 0.827 114.898 114.554 -0.804 0.000 2.565 245 T HA -0.186 4.164 4.350 0.000 0.000 0.265 245 T C -0.349 173.939 174.700 -0.687 0.000 1.082 245 T CA 2.212 63.839 62.100 -0.787 0.000 1.173 245 T CB -1.545 66.637 68.868 -1.143 0.000 0.864 245 T HN 0.333 nan 8.240 nan 0.000 0.425 246 P HA -0.050 nan 4.420 nan 0.000 0.214 246 P C 1.712 178.819 177.300 -0.322 0.000 1.163 246 P CA 0.985 63.781 63.100 -0.506 0.000 0.889 246 P CB -0.351 31.081 31.700 -0.447 0.000 0.790 247 L N -1.805 119.223 121.223 -0.324 0.000 2.021 247 L HA -0.239 4.101 4.340 0.000 0.000 0.215 247 L C 2.294 179.084 176.870 -0.134 0.000 1.074 247 L CA 1.309 56.033 54.840 -0.194 0.000 0.760 247 L CB -1.403 40.548 42.059 -0.180 0.000 0.889 247 L HN -0.009 nan 8.230 nan 0.000 0.433 248 L N 0.640 121.771 121.223 -0.154 0.000 2.137 248 L HA -0.245 4.095 4.340 0.000 0.000 0.213 248 L C 2.858 179.679 176.870 -0.081 0.000 1.085 248 L CA 2.346 57.127 54.840 -0.098 0.000 0.760 248 L CB -1.274 40.719 42.059 -0.110 0.000 0.893 248 L HN 0.324 nan 8.230 nan 0.000 0.434 249 R N 0.386 120.822 120.500 -0.107 0.000 2.541 249 R HA 0.151 4.491 4.340 0.000 0.000 0.245 249 R C 0.275 176.540 176.300 -0.059 0.000 1.154 249 R CA 0.385 56.437 56.100 -0.080 0.000 1.179 249 R CB -1.494 28.748 30.300 -0.096 0.000 1.189 249 R HN 0.512 nan 8.270 nan 0.000 0.526 250 E N -0.262 119.910 120.200 -0.047 0.000 2.593 250 E HA 0.231 4.581 4.350 0.000 0.000 0.232 250 E C 0.754 177.349 176.600 -0.008 0.000 1.026 250 E CA -0.249 56.134 56.400 -0.027 0.000 0.772 250 E CB 1.324 31.007 29.700 -0.029 0.000 1.310 250 E HN 0.376 nan 8.360 nan 0.000 0.413 251 G N 2.739 111.535 108.800 -0.006 0.000 2.703 251 G HA2 -0.449 3.511 3.960 0.000 0.000 0.222 251 G HA3 -0.449 3.511 3.960 0.000 0.000 0.222 251 G C 1.472 176.382 174.900 0.017 0.000 1.183 251 G CA 1.532 46.635 45.100 0.005 0.000 0.775 251 G HN 0.548 nan 8.290 nan 0.000 0.615 252 A N 0.493 123.323 122.820 0.017 0.000 1.859 252 A HA -0.098 4.222 4.320 0.000 0.000 0.218 252 A C 2.533 180.143 177.584 0.043 0.000 1.209 252 A CA 1.890 53.944 52.037 0.028 0.000 0.639 252 A CB -0.752 18.262 19.000 0.024 0.000 0.835 252 A HN 0.410 nan 8.150 nan 0.000 0.450 253 L N -0.670 120.579 121.223 0.044 0.000 1.956 253 L HA -0.247 4.093 4.340 0.000 0.000 0.216 253 L C 2.652 179.572 176.870 0.082 0.000 1.073 253 L CA 1.995 56.878 54.840 0.071 0.000 0.762 253 L CB -0.746 41.346 42.059 0.056 0.000 0.889 253 L HN 0.324 nan 8.230 nan 0.000 0.433 254 V N 0.125 120.072 119.914 0.055 0.000 2.250 254 V HA -0.362 3.758 4.120 0.000 0.000 0.250 254 V C 2.997 179.121 176.094 0.051 0.000 1.060 254 V CA 2.553 64.884 62.300 0.051 0.000 1.030 254 V CB -1.362 30.479 31.823 0.030 0.000 0.643 254 V HN 0.680 nan 8.190 nan 0.000 0.445 255 E N 0.045 120.271 120.200 0.044 0.000 2.033 255 E HA -0.349 4.001 4.350 0.000 0.000 0.199 255 E C 2.240 178.869 176.600 0.048 0.000 1.011 255 E CA 2.812 59.237 56.400 0.042 0.000 0.815 255 E CB -1.275 28.448 29.700 0.037 0.000 0.755 255 E HN 0.818 nan 8.360 nan 0.000 0.451 256 E N 0.309 120.548 120.200 0.065 0.000 2.085 256 E HA 0.085 4.435 4.350 0.000 0.000 0.194 256 E C 2.560 179.178 176.600 0.029 0.000 0.994 256 E CA 2.399 58.849 56.400 0.085 0.000 0.801 256 E CB -1.055 28.722 29.700 0.129 0.000 0.743 256 E HN 1.000 nan 8.360 nan 0.000 0.453 257 A N 0.495 123.318 122.820 0.006 0.000 1.865 257 A HA -0.005 4.315 4.320 0.000 0.000 0.217 257 A C 2.528 179.995 177.584 -0.195 0.000 1.191 257 A CA 1.636 53.516 52.037 -0.262 0.000 0.623 257 A CB -0.433 18.573 19.000 0.010 0.000 0.826 257 A HN 0.482 nan 8.150 nan 0.000 0.444 258 L N -0.726 120.487 121.223 -0.016 0.000 2.141 258 L HA -0.090 4.250 4.340 0.000 0.000 0.209 258 L C 2.714 179.606 176.870 0.037 0.000 1.094 258 L CA 0.884 55.755 54.840 0.051 0.000 0.763 258 L CB -0.846 41.258 42.059 0.074 0.000 0.908 258 L HN 0.511 nan 8.230 nan 0.000 0.437 259 G N -0.400 108.420 108.800 0.032 0.000 2.470 259 G HA2 -0.303 3.657 3.960 0.000 0.000 0.220 259 G HA3 -0.303 3.657 3.960 0.000 0.000 0.220 259 G C 1.404 176.346 174.900 0.071 0.000 1.121 259 G CA 0.421 45.548 45.100 0.046 0.000 0.766 259 G HN 0.387 nan 8.290 nan 0.000 0.553 260 F N 0.029 119.901 119.950 -0.130 0.000 2.559 260 F HA 0.393 4.920 4.527 0.000 0.000 0.286 260 F C 2.111 177.861 175.800 -0.084 0.000 1.108 260 F CA 0.157 58.087 58.000 -0.117 0.000 1.436 260 F CB 0.135 39.011 39.000 -0.207 0.000 1.130 260 F HN -0.002 nan 8.300 nan 0.000 0.584 261 L N -0.091 121.174 121.223 0.069 0.000 2.084 261 L HA -0.096 4.244 4.340 0.000 0.000 0.202 261 L C 2.357 179.212 176.870 -0.025 0.000 1.074 261 L CA 0.904 55.804 54.840 0.100 0.000 0.757 261 L CB -0.813 41.454 42.059 0.346 0.000 0.918 261 L HN 0.139 nan 8.230 nan 0.000 0.444 262 L N 0.008 121.223 121.223 -0.014 0.000 1.990 262 L HA -0.196 4.144 4.340 0.000 0.000 0.213 262 L C -0.122 176.653 176.870 -0.158 0.000 1.072 262 L CA 1.653 56.422 54.840 -0.117 0.000 0.755 262 L CB -1.938 40.089 42.059 -0.054 0.000 0.889 262 L HN 0.216 nan 8.230 nan 0.000 0.432 263 P HA -0.155 nan 4.420 nan 0.000 0.219 263 P C 1.271 178.472 177.300 -0.166 0.000 1.146 263 P CA 1.411 64.430 63.100 -0.134 0.000 0.808 263 P CB -0.006 31.623 31.700 -0.119 0.000 0.779 264 R N -1.688 118.685 120.500 -0.210 0.000 2.237 264 R HA 0.187 4.527 4.340 0.000 0.000 0.195 264 R C 0.905 177.081 176.300 -0.206 0.000 0.956 264 R CA -0.315 55.661 56.100 -0.206 0.000 1.029 264 R CB -0.362 29.782 30.300 -0.260 0.000 0.972 264 R HN 0.207 nan 8.270 nan 0.000 0.493 265 L N 1.566 122.623 121.223 -0.277 0.000 2.601 265 L HA -0.116 4.224 4.340 0.000 0.000 0.277 265 L C 0.892 177.587 176.870 -0.291 0.000 1.219 265 L CA 1.220 55.817 54.840 -0.405 0.000 0.915 265 L CB 0.395 42.067 42.059 -0.646 0.000 1.160 265 L HN 0.642 nan 8.230 nan 0.000 0.494 266 G N 3.763 112.415 108.800 -0.247 0.000 2.253 266 G HA2 -0.298 3.662 3.960 0.000 0.000 0.251 266 G HA3 -0.298 3.662 3.960 0.000 0.000 0.251 266 G C 0.990 175.822 174.900 -0.113 0.000 0.998 266 G CA 0.632 45.633 45.100 -0.166 0.000 0.621 266 G HN 0.686 nan 8.290 nan 0.000 0.524 267 R N -0.059 120.373 120.500 -0.113 0.000 1.776 267 R HA 0.258 4.598 4.340 0.000 0.000 0.146 267 R C 2.234 178.502 176.300 -0.054 0.000 2.057 267 R CA 0.415 56.468 56.100 -0.079 0.000 1.641 267 R CB -0.440 29.808 30.300 -0.086 0.000 1.256 267 R HN 0.317 nan 8.270 nan 0.000 0.478 268 E N 1.712 121.879 120.200 -0.055 0.000 2.285 268 E HA -0.027 4.323 4.350 0.000 0.000 0.194 268 E C 0.350 176.965 176.600 0.026 0.000 0.997 268 E CA 0.714 57.105 56.400 -0.016 0.000 0.845 268 E CB 0.151 29.837 29.700 -0.025 0.000 0.782 268 E HN 0.292 nan 8.360 nan 0.000 0.491 269 L N 2.393 123.612 121.223 -0.006 0.000 2.294 269 L HA 0.411 4.751 4.340 0.000 0.000 0.283 269 L C -0.216 176.617 176.870 -0.062 0.000 1.015 269 L CA -0.593 54.279 54.840 0.053 0.000 0.831 269 L CB 1.094 43.170 42.059 0.027 0.000 1.217 269 L HN -0.229 nan 8.230 nan 0.000 0.420 270 R N 3.307 123.843 120.500 0.060 0.000 2.388 270 R HA 0.435 4.775 4.340 0.000 0.000 0.314 270 R C -2.700 173.697 176.300 0.161 0.000 0.959 270 R CA -2.213 53.903 56.100 0.027 0.000 0.851 270 R CB 1.820 32.139 30.300 0.032 0.000 1.168 270 R HN 0.212 nan 8.270 nan 0.000 0.472 271 P HA 0.036 nan 4.420 nan 0.000 0.268 271 P C -0.179 177.244 177.300 0.205 0.000 1.204 271 P CA -0.225 63.072 63.100 0.327 0.000 0.768 271 P CB 0.652 32.524 31.700 0.286 0.000 0.842 272 V N 5.172 125.208 119.914 0.204 0.000 2.387 272 V HA 0.048 4.168 4.120 0.000 0.000 0.260 272 V C 0.502 176.664 176.094 0.113 0.000 1.054 272 V CA -0.293 62.081 62.300 0.123 0.000 0.967 272 V CB 0.653 32.531 31.823 0.091 0.000 1.036 272 V HN 0.260 nan 8.190 nan 0.000 0.481 273 V N 5.554 125.522 119.914 0.091 0.000 2.530 273 V HA 0.545 4.665 4.120 0.000 0.000 0.282 273 V C 1.042 177.181 176.094 0.075 0.000 1.048 273 V CA 0.594 62.945 62.300 0.086 0.000 0.997 273 V CB 0.920 32.782 31.823 0.064 0.000 0.987 273 V HN 0.929 nan 8.190 nan 0.000 0.477 274 G N 5.532 114.390 108.800 0.096 0.000 3.134 274 G HA2 0.484 4.444 3.960 0.000 0.000 0.158 274 G HA3 0.484 4.444 3.960 0.000 0.000 0.158 274 G C -2.679 172.262 174.900 0.067 0.000 1.334 274 G CA -1.016 44.146 45.100 0.103 0.000 1.001 274 G HN 0.590 nan 8.290 nan 0.000 0.600 275 P HA 0.299 nan 4.420 nan 0.000 0.263 275 P C -0.764 176.481 177.300 -0.091 0.000 1.195 275 P CA 0.017 63.074 63.100 -0.072 0.000 0.762 275 P CB 1.143 32.876 31.700 0.054 0.000 0.799 276 V N 5.421 125.177 119.914 -0.262 0.000 2.378 276 V HA 0.407 4.527 4.120 0.000 0.000 0.288 276 V C -0.214 175.724 176.094 -0.259 0.000 1.016 276 V CA -0.321 61.913 62.300 -0.110 0.000 0.840 276 V CB 0.451 32.251 31.823 -0.039 0.000 0.994 276 V HN 0.360 nan 8.190 nan 0.000 0.431 277 F N 5.301 125.263 119.950 0.019 0.000 2.470 277 F HA 0.635 5.162 4.527 0.000 0.000 0.329 277 F C -2.168 173.672 175.800 0.066 0.000 1.072 277 F CA -2.630 55.385 58.000 0.025 0.000 0.989 277 F CB 1.682 40.675 39.000 -0.012 0.000 1.193 277 F HN 0.291 nan 8.300 nan 0.000 0.481 278 P HA 0.114 nan 4.420 nan 0.000 0.276 278 P C 0.670 178.165 177.300 0.326 0.000 1.244 278 P CA -0.187 63.062 63.100 0.249 0.000 0.801 278 P CB 0.644 32.463 31.700 0.198 0.000 1.006 279 F N 2.244 122.311 119.950 0.194 0.000 2.115 279 F HA -0.329 4.198 4.527 0.000 0.000 0.300 279 F C 1.994 178.044 175.800 0.417 0.000 1.092 279 F CA 1.903 60.068 58.000 0.275 0.000 1.245 279 F CB -0.228 38.922 39.000 0.250 0.000 0.995 279 F HN 0.314 nan 8.300 nan 0.000 0.481 280 A N -0.605 122.422 122.820 0.345 0.000 2.178 280 A HA -0.148 4.172 4.320 0.000 0.000 0.218 280 A C 1.507 179.240 177.584 0.249 0.000 1.157 280 A CA 1.418 53.653 52.037 0.330 0.000 0.689 280 A CB -0.627 18.520 19.000 0.245 0.000 0.787 280 A HN 0.597 nan 8.150 nan 0.000 0.465 281 E N -0.489 119.783 120.200 0.121 0.000 2.499 281 E HA 0.370 4.720 4.350 0.000 0.000 0.207 281 E C 1.482 177.935 176.600 -0.245 0.000 1.034 281 E CA 0.169 56.574 56.400 0.008 0.000 1.098 281 E CB 0.209 30.015 29.700 0.175 0.000 1.148 281 E HN 0.557 nan 8.360 nan 0.000 0.447 282 A N 1.489 124.011 122.820 -0.496 0.000 1.927 282 A HA -0.266 4.054 4.320 0.000 0.000 0.220 282 A C 2.030 179.326 177.584 -0.481 0.000 1.185 282 A CA 1.400 53.029 52.037 -0.681 0.000 0.639 282 A CB -0.131 18.001 19.000 -1.446 0.000 0.820 282 A HN 0.164 nan 8.150 nan 0.000 0.451 283 E N -0.426 119.463 120.200 -0.519 0.000 2.110 283 E HA -0.120 4.231 4.350 0.000 0.000 0.193 283 E C 2.365 178.815 176.600 -0.249 0.000 0.988 283 E CA 1.140 57.359 56.400 -0.301 0.000 0.804 283 E CB -0.485 29.048 29.700 -0.277 0.000 0.745 283 E HN 0.613 nan 8.360 nan 0.000 0.458 284 A N 1.475 124.103 122.820 -0.320 0.000 1.898 284 A HA -0.069 4.251 4.320 0.000 0.000 0.216 284 A C 2.438 179.532 177.584 -0.816 0.000 1.181 284 A CA 1.898 53.718 52.037 -0.362 0.000 0.620 284 A CB -0.550 18.354 19.000 -0.159 0.000 0.819 284 A HN 0.266 nan 8.150 nan 0.000 0.442 285 A N -1.143 120.915 122.820 -1.269 0.000 1.908 285 A HA -0.069 4.251 4.320 0.000 0.000 0.218 285 A C 1.972 179.128 177.584 -0.713 0.000 1.181 285 A CA 1.618 52.749 52.037 -1.510 0.000 0.627 285 A CB -0.795 17.617 19.000 -0.979 0.000 0.818 285 A HN 0.458 nan 8.150 nan 0.000 0.445 286 F N -0.278 119.372 119.950 -0.500 0.000 2.126 286 F HA -0.137 4.390 4.527 0.000 0.000 0.299 286 F C 2.582 178.203 175.800 -0.298 0.000 1.096 286 F CA 1.852 59.654 58.000 -0.329 0.000 1.255 286 F CB -0.224 38.612 39.000 -0.273 0.000 0.997 286 F HN 0.118 nan 8.300 nan 0.000 0.479 287 R N -0.358 120.073 120.500 -0.115 0.000 2.096 287 R HA -0.142 4.198 4.340 0.000 0.000 0.235 287 R C 2.405 178.617 176.300 -0.146 0.000 1.127 287 R CA 1.079 57.110 56.100 -0.114 0.000 0.968 287 R CB -0.645 29.597 30.300 -0.097 0.000 0.861 287 R HN 0.282 nan 8.270 nan 0.000 0.440 288 A N 1.048 123.740 122.820 -0.213 0.000 1.940 288 A HA -0.168 4.152 4.320 0.000 0.000 0.219 288 A C 2.108 179.472 177.584 -0.367 0.000 1.176 288 A CA 1.147 53.074 52.037 -0.184 0.000 0.631 288 A CB -0.544 18.425 19.000 -0.052 0.000 0.814 288 A HN 0.253 nan 8.150 nan 0.000 0.446 289 L N -0.824 120.201 121.223 -0.331 0.000 2.079 289 L HA -0.187 4.153 4.340 0.000 0.000 0.210 289 L C 2.167 178.965 176.870 -0.119 0.000 1.081 289 L CA 1.164 55.841 54.840 -0.272 0.000 0.752 289 L CB -0.303 41.625 42.059 -0.218 0.000 0.896 289 L HN 0.419 nan 8.230 nan 0.000 0.433 290 L N -1.249 119.893 121.223 -0.135 0.000 2.509 290 L HA 0.016 4.356 4.340 0.000 0.000 0.222 290 L C 0.447 177.337 176.870 0.033 0.000 1.123 290 L CA -0.218 54.593 54.840 -0.048 0.000 0.856 290 L CB -0.304 41.669 42.059 -0.143 0.000 0.985 290 L HN 0.128 nan 8.230 nan 0.000 0.456 291 D N 0.970 121.382 120.400 0.021 0.000 2.344 291 D HA 0.016 4.656 4.640 0.000 0.000 0.253 291 D C 1.108 177.546 176.300 0.230 0.000 1.255 291 D CA 0.012 54.069 54.000 0.095 0.000 0.894 291 D CB 0.683 41.528 40.800 0.075 0.000 1.067 291 D HN 0.004 nan 8.370 nan 0.000 0.492 292 R N 2.642 123.238 120.500 0.160 0.000 2.357 292 R HA 0.042 4.382 4.340 0.000 0.000 0.202 292 R C 1.675 178.035 176.300 0.100 0.000 1.047 292 R CA 0.580 56.765 56.100 0.141 0.000 1.034 292 R CB 0.197 30.552 30.300 0.092 0.000 0.875 292 R HN 0.488 nan 8.270 nan 0.000 0.473 293 G N 0.784 109.658 108.800 0.124 0.000 2.492 293 G HA2 -0.149 3.811 3.960 0.000 0.000 0.214 293 G HA3 -0.149 3.811 3.960 0.000 0.000 0.214 293 G C 0.595 175.547 174.900 0.086 0.000 1.147 293 G CA -0.151 44.996 45.100 0.079 0.000 0.809 293 G HN 0.374 nan 8.290 nan 0.000 0.533 294 H N 1.104 120.194 119.070 0.034 0.000 2.757 294 H HA 0.380 4.936 4.556 0.000 0.000 0.370 294 H C -0.578 174.767 175.328 0.029 0.000 1.172 294 H CA 0.984 57.055 56.048 0.039 0.000 1.426 294 H CB 0.585 30.386 29.762 0.064 0.000 1.438 294 H HN 0.116 nan 8.280 nan 0.000 0.612 295 T N -0.533 113.881 114.554 -0.233 0.000 2.909 295 T HA 0.580 4.930 4.350 0.000 0.000 0.299 295 T C 0.289 174.938 174.700 -0.084 0.000 1.073 295 T CA 0.014 61.955 62.100 -0.265 0.000 0.999 295 T CB 1.656 70.453 68.868 -0.118 0.000 1.098 295 T HN 1.358 nan 8.240 nan 0.000 0.477 296 G N 1.495 110.255 108.800 -0.066 0.000 2.627 296 G HA2 0.073 4.033 3.960 0.000 0.000 0.214 296 G HA3 0.073 4.033 3.960 0.000 0.000 0.214 296 G C -0.851 174.135 174.900 0.142 0.000 1.331 296 G CA -0.281 44.850 45.100 0.052 0.000 0.891 296 G HN 0.999 nan 8.290 nan 0.000 0.539 297 K N -0.534 119.957 120.400 0.152 0.000 2.172 297 K HA 0.630 4.950 4.320 0.000 0.000 0.276 297 K C 0.260 176.962 176.600 0.170 0.000 1.013 297 K CA -0.457 55.930 56.287 0.166 0.000 0.913 297 K CB 1.437 34.025 32.500 0.147 0.000 1.055 297 K HN 0.729 nan 8.250 nan 0.000 0.461 298 V N 5.052 125.054 119.914 0.146 0.000 2.530 298 V HA 0.305 4.425 4.120 0.000 0.000 0.282 298 V C -0.421 175.735 176.094 0.103 0.000 1.048 298 V CA -0.528 61.847 62.300 0.125 0.000 0.997 298 V CB 1.198 33.017 31.823 -0.006 0.000 0.987 298 V HN 0.534 nan 8.190 nan 0.000 0.477 299 V N 5.292 125.301 119.914 0.159 0.000 2.789 299 V HA 0.519 4.639 4.120 0.000 0.000 0.311 299 V C -0.397 175.806 176.094 0.182 0.000 1.073 299 V CA -0.705 61.673 62.300 0.129 0.000 0.921 299 V CB 2.290 34.179 31.823 0.110 0.000 1.009 299 V HN 0.542 nan 8.190 nan 0.000 0.426 300 V N 4.169 124.168 119.914 0.141 0.000 2.459 300 V HA 0.619 4.739 4.120 0.000 0.000 0.295 300 V C -0.072 176.133 176.094 0.185 0.000 1.029 300 V CA -0.728 61.685 62.300 0.188 0.000 0.874 300 V CB 1.858 33.778 31.823 0.161 0.000 0.985 300 V HN 0.710 nan 8.190 nan 0.000 0.438 301 R N 3.338 123.955 120.500 0.195 0.000 2.387 301 R HA 0.635 4.975 4.340 0.000 0.000 0.314 301 R C -1.016 175.380 176.300 0.161 0.000 0.958 301 R CA -0.635 55.552 56.100 0.145 0.000 0.846 301 R CB 1.600 31.963 30.300 0.106 0.000 1.147 301 R HN 0.524 nan 8.270 nan 0.000 0.447 302 L N 0.000 121.271 121.223 0.081 0.000 2.949 302 L HA 0.000 4.340 4.340 0.000 0.000 0.249 302 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 302 L CB 0.000 41.947 42.059 -0.186 0.000 0.961 302 L HN 0.000 nan 8.230 nan 0.000 0.502