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 2gh6_1_C DATA FIRST_RESID 2 DATA SEQUENCE AIGYVWNTLY GWVDTGTGSL AAANLTARMQ PISHHLAHPD TKRRFHELVC DATA SEQUENCE ASGQIEHLTP IAAVAATDAD ILRAHSAAHL ENMKRVSNLP TGGDTGDGIT DATA SEQUENCE MMGNGGLEIA RLSAGGAVEL TRRVATGELS AGYALVNPPG HHAPHNAAMG DATA SEQUENCE FCIFNNTSVA AGYARAVLGM ERVAILDWDV HHGNGTQDIW WNDPSVLTIS DATA SEQUENCE LHQHLCFPPD SGYSTERGAG NGHGYNINVP LPPGSGNAAY LHAMDQVVLP DATA SEQUENCE ALRAYRPQLI IVGSGFDASM LDPLARMMVT ADGFRQMARR TIDCAADICD DATA SEQUENCE GRIVFVQEGG YSPHYLPFCG LAVIEELTGV RSLPDPYHEF LAGMGGNTLL DATA SEQUENCE DAERAAIEEI VPLLADI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.639 177.584 0.091 0.000 1.274 2 A CA 0.000 52.082 52.037 0.074 0.000 0.836 2 A CB 0.000 19.038 19.000 0.064 0.000 0.831 3 I N 2.751 123.385 120.570 0.106 0.000 2.355 3 I HA 0.472 4.643 4.170 0.002 0.000 0.288 3 I C 1.057 177.267 176.117 0.155 0.000 0.999 3 I CA -0.233 61.147 61.300 0.133 0.000 1.163 3 I CB 0.808 38.889 38.000 0.136 0.000 1.316 3 I HN 0.809 nan 8.210 nan 0.000 0.454 4 G N 5.623 114.522 108.800 0.165 0.000 2.503 4 G HA2 0.290 4.251 3.960 0.002 0.000 0.257 4 G HA3 0.290 4.251 3.960 0.002 0.000 0.257 4 G C -1.511 173.558 174.900 0.282 0.000 1.214 4 G CA -0.019 45.189 45.100 0.181 0.000 0.839 4 G HN 0.571 nan 8.290 nan 0.000 0.559 5 Y N 1.325 121.698 120.300 0.122 0.000 2.362 5 Y HA 0.469 5.021 4.550 0.002 0.000 0.326 5 Y C -1.050 174.941 175.900 0.152 0.000 1.083 5 Y CA -0.949 57.244 58.100 0.154 0.000 1.073 5 Y CB 1.782 40.318 38.460 0.126 0.000 1.211 5 Y HN 0.466 nan 8.280 nan 0.000 0.433 6 V N 6.597 126.296 119.914 -0.359 0.000 2.384 6 V HA 0.371 4.492 4.120 0.002 0.000 0.287 6 V C -0.957 174.934 176.094 -0.337 0.000 1.020 6 V CA -0.716 61.431 62.300 -0.256 0.000 0.850 6 V CB 1.459 33.252 31.823 -0.050 0.000 0.987 6 V HN 0.824 nan 8.190 nan 0.000 0.436 7 W N 6.000 127.039 121.300 -0.436 0.000 3.097 7 W HA 0.452 5.113 4.660 0.002 0.000 0.335 7 W C -1.775 174.468 176.519 -0.459 0.000 1.114 7 W CA -0.587 56.542 57.345 -0.361 0.000 1.231 7 W CB 2.101 31.246 29.460 -0.525 0.000 1.388 7 W HN 0.604 nan 8.180 nan 0.000 0.485 8 N N 2.799 120.511 118.700 -1.646 0.000 2.314 8 N HA 0.166 4.907 4.740 0.002 0.000 0.294 8 N C 0.753 175.198 175.510 -1.776 0.000 1.029 8 N CA -0.038 52.090 53.050 -1.536 0.000 0.845 8 N CB 2.218 39.716 38.487 -1.648 0.000 1.321 8 N HN 0.416 nan 8.380 nan 0.000 0.481 9 T N 3.033 116.983 114.554 -1.007 0.000 2.714 9 T HA -0.171 4.180 4.350 0.002 0.000 0.268 9 T C 1.847 176.043 174.700 -0.839 0.000 1.036 9 T CA 1.433 63.128 62.100 -0.675 0.000 1.148 9 T CB -0.066 68.500 68.868 -0.504 0.000 0.856 9 T HN 0.518 nan 8.240 nan 0.000 0.462 10 L N -0.610 120.058 121.223 -0.925 0.000 2.217 10 L HA -0.019 4.322 4.340 0.002 0.000 0.211 10 L C 2.241 178.925 176.870 -0.311 0.000 1.107 10 L CA 1.093 55.528 54.840 -0.675 0.000 0.783 10 L CB -0.686 41.056 42.059 -0.528 0.000 0.919 10 L HN 0.414 nan 8.230 nan 0.000 0.442 11 Y N 0.031 119.983 120.300 -0.580 0.000 2.228 11 Y HA -0.279 4.272 4.550 0.002 0.000 0.285 11 Y C 2.432 178.208 175.900 -0.207 0.000 1.178 11 Y CA 0.358 58.154 58.100 -0.507 0.000 1.202 11 Y CB -0.516 37.362 38.460 -0.970 0.000 0.974 11 Y HN 0.281 nan 8.280 nan 0.000 0.527 12 G N -1.919 106.912 108.800 0.051 0.000 2.920 12 G HA2 -0.131 3.831 3.960 0.002 0.000 0.208 12 G HA3 -0.131 3.831 3.960 0.002 0.000 0.208 12 G C 0.531 175.703 174.900 0.453 0.000 1.159 12 G CA -0.022 45.329 45.100 0.417 0.000 0.784 12 G HN 0.372 nan 8.290 nan 0.000 0.535 13 W N 0.281 121.561 121.300 -0.033 0.000 3.127 13 W HA 0.415 5.076 4.660 0.002 0.000 0.344 13 W C 0.444 176.908 176.519 -0.092 0.000 1.151 13 W CA -1.450 55.859 57.345 -0.059 0.000 1.765 13 W CB -0.336 29.087 29.460 -0.062 0.000 1.085 13 W HN -0.217 nan 8.180 nan 0.000 0.596 14 V N 2.861 122.838 119.914 0.105 0.000 2.584 14 V HA -0.137 3.984 4.120 0.002 0.000 0.303 14 V C 0.373 176.410 176.094 -0.095 0.000 1.035 14 V CA 0.588 62.885 62.300 -0.004 0.000 1.172 14 V CB 0.118 31.921 31.823 -0.034 0.000 0.896 14 V HN -0.119 nan 8.190 nan 0.000 0.486 15 D N 4.112 124.457 120.400 -0.092 0.000 2.347 15 D HA 0.183 4.824 4.640 0.002 0.000 0.235 15 D C 1.091 177.285 176.300 -0.176 0.000 1.149 15 D CA -0.023 53.898 54.000 -0.132 0.000 0.850 15 D CB 1.557 42.305 40.800 -0.087 0.000 1.061 15 D HN 0.715 nan 8.370 nan 0.000 0.487 16 T N 0.657 115.065 114.554 -0.243 0.000 3.086 16 T HA 0.471 4.822 4.350 0.002 0.000 0.250 16 T C 1.123 175.658 174.700 -0.275 0.000 1.074 16 T CA 0.269 62.146 62.100 -0.371 0.000 0.988 16 T CB 0.175 68.726 68.868 -0.528 0.000 0.988 16 T HN 0.591 nan 8.240 nan 0.000 0.530 17 G N 1.684 110.411 108.800 -0.122 0.000 2.445 17 G HA2 -0.131 3.830 3.960 0.002 0.000 0.212 17 G HA3 -0.131 3.830 3.960 0.002 0.000 0.212 17 G C 0.534 175.445 174.900 0.017 0.000 1.217 17 G CA 0.529 45.605 45.100 -0.041 0.000 1.002 17 G HN 0.976 nan 8.290 nan 0.000 0.574 18 T N -1.661 112.922 114.554 0.049 0.000 3.058 18 T HA 0.613 4.964 4.350 0.002 0.000 0.278 18 T C 1.199 175.946 174.700 0.079 0.000 0.974 18 T CA 1.267 63.401 62.100 0.056 0.000 0.893 18 T CB 0.640 69.527 68.868 0.031 0.000 1.138 18 T HN 1.893 nan 8.240 nan 0.000 0.529 19 G N 0.641 109.514 108.800 0.121 0.000 2.532 19 G HA2 0.511 4.472 3.960 0.002 0.000 0.291 19 G HA3 0.511 4.472 3.960 0.002 0.000 0.291 19 G C 0.510 175.445 174.900 0.058 0.000 1.349 19 G CA -0.227 44.931 45.100 0.098 0.000 1.038 19 G HN 0.164 nan 8.290 nan 0.000 0.518 20 S N -1.383 114.266 115.700 -0.084 0.000 2.412 20 S HA 0.198 4.670 4.470 0.002 0.000 0.223 20 S C 1.609 175.809 174.600 -0.667 0.000 1.048 20 S CA 0.360 58.404 58.200 -0.261 0.000 0.954 20 S CB -0.068 63.057 63.200 -0.126 0.000 0.840 20 S HN 0.358 nan 8.310 nan 0.000 0.503 21 L N -1.001 120.007 121.223 -0.357 0.000 2.681 21 L HA 0.505 4.847 4.340 0.002 0.000 0.163 21 L C 0.535 177.489 176.870 0.140 0.000 1.188 21 L CA 0.309 55.036 54.840 -0.188 0.000 0.944 21 L CB -0.215 41.790 42.059 -0.090 0.000 1.835 21 L HN 0.251 nan 8.230 nan 0.000 0.510 22 A N 0.696 123.558 122.820 0.070 0.000 2.267 22 A HA 0.632 4.954 4.320 0.002 0.000 0.271 22 A C 0.262 177.904 177.584 0.096 0.000 1.131 22 A CA 0.326 52.417 52.037 0.090 0.000 0.818 22 A CB -0.020 19.006 19.000 0.044 0.000 1.118 22 A HN 0.363 nan 8.150 nan 0.000 0.501 23 A N -0.670 122.196 122.820 0.077 0.000 2.406 23 A HA 0.539 4.860 4.320 0.002 0.000 0.243 23 A C 0.897 178.507 177.584 0.044 0.000 1.082 23 A CA 0.168 52.244 52.037 0.064 0.000 0.786 23 A CB -0.594 18.432 19.000 0.043 0.000 1.029 23 A HN 2.237 nan 8.150 nan 0.000 0.495 24 A N 0.994 123.839 122.820 0.041 0.000 2.555 24 A HA 0.394 4.715 4.320 0.002 0.000 0.233 24 A C 0.334 177.930 177.584 0.021 0.000 1.060 24 A CA 0.725 52.778 52.037 0.027 0.000 0.759 24 A CB -0.321 18.695 19.000 0.026 0.000 0.995 24 A HN 1.019 nan 8.150 nan 0.000 0.506 25 N N 0.758 119.468 118.700 0.016 0.000 2.542 25 N HA 0.340 5.081 4.740 0.002 0.000 0.288 25 N C 0.041 175.557 175.510 0.011 0.000 1.115 25 N CA -0.617 52.441 53.050 0.014 0.000 0.924 25 N CB 1.025 39.520 38.487 0.013 0.000 1.526 25 N HN 0.431 nan 8.380 nan 0.000 0.515 26 L N 3.249 124.478 121.223 0.010 0.000 2.131 26 L HA 0.061 4.402 4.340 0.002 0.000 0.206 26 L C 2.324 179.198 176.870 0.008 0.000 1.087 26 L CA 2.212 57.057 54.840 0.009 0.000 0.767 26 L CB -0.791 41.273 42.059 0.008 0.000 0.917 26 L HN 0.863 nan 8.230 nan 0.000 0.441 27 T N -2.808 111.751 114.554 0.007 0.000 2.746 27 T HA -0.148 4.204 4.350 0.002 0.000 0.267 27 T C 1.840 176.544 174.700 0.007 0.000 1.039 27 T CA 1.032 63.136 62.100 0.007 0.000 1.142 27 T CB -0.921 67.951 68.868 0.006 0.000 0.866 27 T HN 0.302 nan 8.240 nan 0.000 0.444 28 A N 1.229 124.053 122.820 0.007 0.000 2.216 28 A HA 0.130 4.451 4.320 0.002 0.000 0.214 28 A C 1.209 178.797 177.584 0.007 0.000 1.160 28 A CA 0.409 52.450 52.037 0.007 0.000 0.725 28 A CB -0.553 18.452 19.000 0.008 0.000 0.784 28 A HN 0.440 nan 8.150 nan 0.000 0.472 29 R N -1.865 118.640 120.500 0.008 0.000 3.516 29 R HA -0.174 4.168 4.340 0.002 0.000 0.271 29 R C -0.549 175.756 176.300 0.008 0.000 1.098 29 R CA 1.040 57.145 56.100 0.008 0.000 0.732 29 R CB -2.692 27.612 30.300 0.007 0.000 1.152 29 R HN 0.653 nan 8.270 nan 0.000 0.455 30 M N 1.169 120.774 119.600 0.009 0.000 2.201 30 M HA 0.095 4.576 4.480 0.002 0.000 0.345 30 M C 1.028 177.335 176.300 0.011 0.000 1.352 30 M CA 0.303 55.608 55.300 0.009 0.000 1.218 30 M CB 0.929 33.534 32.600 0.008 0.000 1.512 30 M HN 0.064 nan 8.290 nan 0.000 0.447 31 Q N 4.689 124.496 119.800 0.011 0.000 2.361 31 Q HA 0.206 4.548 4.340 0.002 0.000 0.276 31 Q C -2.218 173.792 176.000 0.017 0.000 1.022 31 Q CA -1.277 54.534 55.803 0.013 0.000 0.898 31 Q CB 0.666 29.412 28.738 0.013 0.000 1.246 31 Q HN 0.302 nan 8.270 nan 0.000 0.410 32 P HA 0.168 nan 4.420 nan 0.000 0.270 32 P C -1.001 176.317 177.300 0.030 0.000 1.223 32 P CA 0.061 63.176 63.100 0.025 0.000 0.785 32 P CB 0.551 32.265 31.700 0.023 0.000 0.923 33 I N 0.019 120.613 120.570 0.040 0.000 2.894 33 I HA 0.179 4.350 4.170 0.002 0.000 0.302 33 I C 0.931 177.087 176.117 0.065 0.000 1.188 33 I CA -0.529 60.801 61.300 0.050 0.000 1.014 33 I CB 2.141 40.170 38.000 0.047 0.000 1.242 33 I HN 0.355 nan 8.210 nan 0.000 0.430 34 S N 2.839 118.590 115.700 0.084 0.000 2.489 34 S HA 0.073 4.544 4.470 0.002 0.000 0.228 34 S C 0.240 174.839 174.600 -0.001 0.000 0.995 34 S CA 0.680 58.927 58.200 0.080 0.000 0.934 34 S CB -0.301 62.980 63.200 0.134 0.000 0.771 34 S HN 0.694 nan 8.310 nan 0.000 0.522 35 H N 0.869 119.918 119.070 -0.034 0.000 2.953 35 H HA 0.451 5.008 4.556 0.002 0.000 0.290 35 H C -0.501 174.882 175.328 0.091 0.000 1.113 35 H CA -0.835 55.182 56.048 -0.053 0.000 1.454 35 H CB 0.356 30.011 29.762 -0.178 0.000 1.525 35 H HN 0.443 nan 8.280 nan 0.000 0.505 36 H N 2.162 121.300 119.070 0.113 0.000 3.016 36 H HA -0.058 4.499 4.556 0.002 0.000 0.345 36 H C 0.992 176.384 175.328 0.107 0.000 1.066 36 H CA 0.244 56.335 56.048 0.072 0.000 1.390 36 H CB 0.928 30.695 29.762 0.007 0.000 1.344 36 H HN 0.675 nan 8.280 nan 0.000 0.605 37 L N 3.196 124.351 121.223 -0.113 0.000 2.089 37 L HA -0.238 4.103 4.340 0.002 0.000 0.213 37 L C 2.089 179.156 176.870 0.329 0.000 1.079 37 L CA 1.664 56.537 54.840 0.055 0.000 0.758 37 L CB -0.445 41.529 42.059 -0.142 0.000 0.891 37 L HN 0.773 nan 8.230 nan 0.000 0.433 38 A N -2.175 120.892 122.820 0.411 0.000 2.462 38 A HA 0.030 4.351 4.320 0.002 0.000 0.261 38 A C 0.329 178.005 177.584 0.154 0.000 1.323 38 A CA -0.350 51.845 52.037 0.263 0.000 0.913 38 A CB -0.935 17.752 19.000 -0.522 0.000 1.028 38 A HN 0.393 nan 8.150 nan 0.000 0.511 39 H N 1.475 120.638 119.070 0.157 0.000 3.094 39 H HA 0.089 4.647 4.556 0.002 0.000 0.320 39 H C -1.152 174.240 175.328 0.107 0.000 1.000 39 H CA -0.327 55.765 56.048 0.074 0.000 1.413 39 H CB 1.016 30.832 29.762 0.090 0.000 1.405 39 H HN 0.132 nan 8.280 nan 0.000 0.586 40 P HA -0.160 nan 4.420 nan 0.000 0.226 40 P C 0.572 178.017 177.300 0.242 0.000 1.146 40 P CA 0.914 64.045 63.100 0.052 0.000 0.773 40 P CB 0.422 32.117 31.700 -0.009 0.000 0.772 41 D N -0.290 120.357 120.400 0.411 0.000 2.149 41 D HA -0.114 4.527 4.640 0.002 0.000 0.198 41 D C 1.920 178.369 176.300 0.248 0.000 0.990 41 D CA 1.373 55.602 54.000 0.383 0.000 0.839 41 D CB -0.904 40.176 40.800 0.467 0.000 0.948 41 D HN 0.143 nan 8.370 nan 0.000 0.460 42 T N 0.647 115.341 114.554 0.235 0.000 2.665 42 T HA -0.166 4.185 4.350 0.002 0.000 0.268 42 T C 1.863 176.658 174.700 0.158 0.000 1.035 42 T CA 1.351 63.540 62.100 0.149 0.000 1.151 42 T CB -0.087 68.859 68.868 0.130 0.000 0.862 42 T HN 0.208 nan 8.240 nan 0.000 0.438 43 K N 0.334 120.862 120.400 0.213 0.000 2.155 43 K HA 0.066 4.387 4.320 0.002 0.000 0.203 43 K C 2.514 179.206 176.600 0.153 0.000 1.052 43 K CA 0.562 57.013 56.287 0.275 0.000 0.948 43 K CB -0.071 32.633 32.500 0.339 0.000 0.728 43 K HN 0.153 nan 8.250 nan 0.000 0.448 44 R N 1.400 121.997 120.500 0.162 0.000 2.115 44 R HA -0.067 4.274 4.340 0.002 0.000 0.230 44 R C 2.002 178.249 176.300 -0.089 0.000 1.111 44 R CA 1.175 57.244 56.100 -0.051 0.000 0.976 44 R CB 0.093 30.519 30.300 0.210 0.000 0.870 44 R HN 0.080 nan 8.270 nan 0.000 0.445 45 R N -0.493 120.016 120.500 0.016 0.000 2.092 45 R HA -0.137 4.204 4.340 0.002 0.000 0.231 45 R C 2.124 178.398 176.300 -0.043 0.000 1.119 45 R CA 1.316 57.404 56.100 -0.020 0.000 0.970 45 R CB -0.423 29.878 30.300 0.002 0.000 0.864 45 R HN 0.204 nan 8.270 nan 0.000 0.440 46 F N 1.416 121.246 119.950 -0.200 0.000 2.075 46 F HA -0.230 4.298 4.527 0.002 0.000 0.297 46 F C 2.297 177.937 175.800 -0.266 0.000 1.113 46 F CA 2.015 59.866 58.000 -0.249 0.000 1.218 46 F CB -1.141 37.758 39.000 -0.167 0.000 0.984 46 F HN 0.056 nan 8.300 nan 0.000 0.472 47 H N 0.283 119.040 119.070 -0.523 0.000 2.289 47 H HA -0.173 4.384 4.556 0.002 0.000 0.296 47 H C 2.079 177.143 175.328 -0.440 0.000 1.091 47 H CA 2.660 58.295 56.048 -0.688 0.000 1.274 47 H CB -0.479 28.426 29.762 -1.429 0.000 1.364 47 H HN 0.487 nan 8.280 nan 0.000 0.490 48 E N -0.574 119.306 120.200 -0.533 0.000 2.150 48 E HA -0.116 4.236 4.350 0.002 0.000 0.193 48 E C 2.169 178.563 176.600 -0.343 0.000 0.985 48 E CA 0.815 56.945 56.400 -0.451 0.000 0.814 48 E CB -0.078 29.496 29.700 -0.210 0.000 0.752 48 E HN 0.362 nan 8.360 nan 0.000 0.466 49 L N 0.784 121.840 121.223 -0.278 0.000 2.093 49 L HA -0.126 4.215 4.340 0.002 0.000 0.208 49 L C 2.164 178.883 176.870 -0.252 0.000 1.085 49 L CA 1.221 55.910 54.840 -0.252 0.000 0.755 49 L CB -0.263 41.604 42.059 -0.320 0.000 0.904 49 L HN -0.083 nan 8.230 nan 0.000 0.435 50 V N -1.081 118.653 119.914 -0.299 0.000 2.332 50 V HA -0.370 3.752 4.120 0.002 0.000 0.248 50 V C 2.569 178.451 176.094 -0.354 0.000 1.055 50 V CA 1.975 64.067 62.300 -0.346 0.000 1.038 50 V CB -0.757 30.754 31.823 -0.521 0.000 0.651 50 V HN 0.635 nan 8.190 nan 0.000 0.450 51 C N -0.074 118.975 119.300 -0.417 0.000 2.476 51 C HA 0.058 4.519 4.460 0.002 0.000 0.278 51 C C 3.069 177.940 174.990 -0.199 0.000 1.274 51 C CA 0.475 59.309 59.018 -0.308 0.000 1.713 51 C CB -1.297 26.236 27.740 -0.346 0.000 2.039 51 C HN 0.610 nan 8.230 nan 0.000 0.484 52 A N 1.587 124.294 122.820 -0.189 0.000 1.972 52 A HA -0.143 4.178 4.320 0.002 0.000 0.219 52 A C 2.266 179.800 177.584 -0.083 0.000 1.169 52 A CA 2.168 54.136 52.037 -0.116 0.000 0.635 52 A CB -0.821 18.119 19.000 -0.100 0.000 0.810 52 A HN 0.715 nan 8.150 nan 0.000 0.446 53 S N -1.684 113.959 115.700 -0.096 0.000 2.474 53 S HA 0.262 4.733 4.470 0.002 0.000 0.235 53 S C 1.618 176.197 174.600 -0.035 0.000 0.997 53 S CA 1.293 59.461 58.200 -0.054 0.000 0.949 53 S CB -0.574 62.587 63.200 -0.064 0.000 0.766 53 S HN 1.955 nan 8.310 nan 0.000 0.517 54 G N 0.660 109.424 108.800 -0.060 0.000 2.179 54 G HA2 -0.298 3.664 3.960 0.002 0.000 0.260 54 G HA3 -0.298 3.664 3.960 0.002 0.000 0.260 54 G C 0.859 175.759 174.900 0.001 0.000 0.977 54 G CA 0.406 45.482 45.100 -0.039 0.000 0.641 54 G HN 0.423 nan 8.290 nan 0.000 0.533 55 Q N -0.371 119.420 119.800 -0.015 0.000 2.181 55 Q HA -0.042 4.299 4.340 0.002 0.000 0.205 55 Q C 2.583 178.549 176.000 -0.055 0.000 0.980 55 Q CA 1.501 57.319 55.803 0.025 0.000 0.862 55 Q CB -0.246 28.439 28.738 -0.089 0.000 0.905 55 Q HN 0.749 nan 8.270 nan 0.000 0.429 56 I N 1.719 122.188 120.570 -0.170 0.000 2.530 56 I HA -0.228 3.943 4.170 0.002 0.000 0.257 56 I C 1.599 177.630 176.117 -0.144 0.000 1.179 56 I CA 1.282 62.462 61.300 -0.200 0.000 1.440 56 I CB -0.040 37.841 38.000 -0.198 0.000 1.087 56 I HN 0.079 nan 8.210 nan 0.000 0.440 57 E N -0.480 119.599 120.200 -0.203 0.000 2.208 57 E HA -0.130 4.221 4.350 0.002 0.000 0.193 57 E C 1.487 177.841 176.600 -0.411 0.000 0.988 57 E CA 0.998 57.199 56.400 -0.331 0.000 0.828 57 E CB -0.501 28.910 29.700 -0.482 0.000 0.763 57 E HN 0.677 nan 8.360 nan 0.000 0.478 58 H N -0.311 118.735 119.070 -0.040 0.000 2.529 58 H HA 0.281 4.838 4.556 0.002 0.000 0.277 58 H C 0.610 175.932 175.328 -0.009 0.000 1.004 58 H CA 0.038 56.074 56.048 -0.020 0.000 1.167 58 H CB 0.721 30.469 29.762 -0.023 0.000 1.445 58 H HN 0.004 nan 8.280 nan 0.000 0.554 59 L N 0.866 122.115 121.223 0.043 0.000 2.334 59 L HA 0.301 4.643 4.340 0.002 0.000 0.272 59 L C 0.204 177.118 176.870 0.074 0.000 1.020 59 L CA -0.654 54.222 54.840 0.061 0.000 0.812 59 L CB 1.942 44.000 42.059 -0.002 0.000 1.264 59 L HN -0.123 nan 8.230 nan 0.000 0.439 60 T N 2.334 116.956 114.554 0.114 0.000 2.781 60 T HA 0.298 4.649 4.350 0.002 0.000 0.305 60 T C -2.484 172.306 174.700 0.149 0.000 1.001 60 T CA -1.284 60.880 62.100 0.106 0.000 0.950 60 T CB 0.786 69.707 68.868 0.089 0.000 0.955 60 T HN 0.227 nan 8.240 nan 0.000 0.471 61 P HA 0.183 nan 4.420 nan 0.000 0.267 61 P C -0.654 176.708 177.300 0.102 0.000 1.209 61 P CA -0.320 62.885 63.100 0.176 0.000 0.763 61 P CB 0.342 32.133 31.700 0.151 0.000 0.816 62 I N 2.497 123.115 120.570 0.081 0.000 2.389 62 I HA 0.357 4.529 4.170 0.002 0.000 0.288 62 I C 0.575 176.683 176.117 -0.014 0.000 0.999 62 I CA -1.526 59.792 61.300 0.030 0.000 1.129 62 I CB 0.976 38.995 38.000 0.032 0.000 1.288 62 I HN 0.298 nan 8.210 nan 0.000 0.444 63 A N 5.260 128.061 122.820 -0.031 0.000 2.488 63 A HA 0.594 4.915 4.320 0.002 0.000 0.249 63 A C 0.675 178.208 177.584 -0.084 0.000 1.083 63 A CA -0.214 51.779 52.037 -0.073 0.000 0.768 63 A CB 0.186 19.144 19.000 -0.070 0.000 1.017 63 A HN 0.886 nan 8.150 nan 0.000 0.496 64 A N 2.249 124.995 122.820 -0.123 0.000 2.445 64 A HA 0.522 4.843 4.320 0.002 0.000 0.242 64 A C 0.022 177.546 177.584 -0.100 0.000 1.075 64 A CA -0.099 51.880 52.037 -0.097 0.000 0.777 64 A CB 0.148 19.089 19.000 -0.098 0.000 1.013 64 A HN 1.155 nan 8.150 nan 0.000 0.493 65 V N 1.406 121.272 119.914 -0.080 0.000 2.604 65 V HA 0.569 4.691 4.120 0.002 0.000 0.305 65 V C 0.694 176.748 176.094 -0.066 0.000 1.043 65 V CA -0.429 61.825 62.300 -0.077 0.000 0.888 65 V CB 1.464 33.244 31.823 -0.072 0.000 0.995 65 V HN 1.258 nan 8.190 nan 0.000 0.429 66 A N 3.552 126.336 122.820 -0.060 0.000 2.548 66 A HA 0.574 4.896 4.320 0.002 0.000 0.247 66 A C 0.822 178.380 177.584 -0.043 0.000 1.067 66 A CA 0.464 52.475 52.037 -0.043 0.000 0.757 66 A CB -0.025 18.950 19.000 -0.042 0.000 0.996 66 A HN 1.525 nan 8.150 nan 0.000 0.504 67 A N 3.688 126.486 122.820 -0.038 0.000 2.524 67 A HA 0.484 4.805 4.320 0.002 0.000 0.250 67 A C 1.117 178.662 177.584 -0.066 0.000 1.078 67 A CA 0.472 52.474 52.037 -0.058 0.000 0.761 67 A CB -0.527 18.432 19.000 -0.069 0.000 1.012 67 A HN 1.524 nan 8.150 nan 0.000 0.500 68 T N 0.380 114.903 114.554 -0.053 0.000 2.754 68 T HA 0.224 4.575 4.350 0.002 0.000 0.286 68 T C 0.521 175.174 174.700 -0.079 0.000 0.997 68 T CA 0.189 62.260 62.100 -0.048 0.000 0.982 68 T CB 0.443 69.300 68.868 -0.019 0.000 1.027 68 T HN 0.522 nan 8.240 nan 0.000 0.529 69 D N 0.836 121.194 120.400 -0.069 0.000 2.123 69 D HA -0.060 4.581 4.640 0.002 0.000 0.196 69 D C 2.331 178.592 176.300 -0.064 0.000 0.992 69 D CA 1.817 55.768 54.000 -0.082 0.000 0.833 69 D CB -0.836 39.931 40.800 -0.055 0.000 0.954 69 D HN 0.739 nan 8.370 nan 0.000 0.455 70 A N 0.876 123.677 122.820 -0.031 0.000 1.933 70 A HA -0.184 4.137 4.320 0.002 0.000 0.218 70 A C 1.779 179.366 177.584 0.006 0.000 1.175 70 A CA 1.630 53.662 52.037 -0.007 0.000 0.628 70 A CB -0.339 18.666 19.000 0.009 0.000 0.814 70 A HN 0.047 nan 8.150 nan 0.000 0.444 71 D N -0.009 120.394 120.400 0.005 0.000 2.117 71 D HA -0.099 4.542 4.640 0.002 0.000 0.197 71 D C 1.817 178.107 176.300 -0.017 0.000 0.987 71 D CA 1.177 55.197 54.000 0.032 0.000 0.829 71 D CB -0.291 40.517 40.800 0.014 0.000 0.961 71 D HN 0.520 nan 8.370 nan 0.000 0.460 72 I N 0.479 120.983 120.570 -0.109 0.000 2.353 72 I HA -0.171 4.000 4.170 0.002 0.000 0.248 72 I C 2.192 178.267 176.117 -0.071 0.000 1.119 72 I CA 0.512 61.701 61.300 -0.186 0.000 1.417 72 I CB -0.004 37.692 38.000 -0.506 0.000 1.078 72 I HN -0.074 nan 8.210 nan 0.000 0.421 73 L N 0.203 121.391 121.223 -0.058 0.000 2.456 73 L HA -0.090 4.251 4.340 0.002 0.000 0.224 73 L C 2.364 179.233 176.870 -0.002 0.000 1.148 73 L CA 0.748 55.573 54.840 -0.025 0.000 0.825 73 L CB -0.467 41.581 42.059 -0.018 0.000 0.937 73 L HN 0.178 nan 8.230 nan 0.000 0.450 74 R N -0.221 120.283 120.500 0.007 0.000 2.235 74 R HA 0.013 4.355 4.340 0.002 0.000 0.213 74 R C 1.830 178.107 176.300 -0.040 0.000 1.059 74 R CA 0.985 57.104 56.100 0.031 0.000 0.997 74 R CB -0.029 30.327 30.300 0.093 0.000 0.884 74 R HN 0.313 nan 8.270 nan 0.000 0.462 75 A N -0.639 122.107 122.820 -0.124 0.000 2.312 75 A HA 0.198 4.519 4.320 0.002 0.000 0.215 75 A C -0.096 177.172 177.584 -0.527 0.000 1.256 75 A CA -0.042 51.778 52.037 -0.362 0.000 0.966 75 A CB 0.347 19.125 19.000 -0.371 0.000 1.053 75 A HN 0.205 nan 8.150 nan 0.000 0.510 76 H N -0.686 118.295 119.070 -0.147 0.000 2.894 76 H HA 0.523 5.080 4.556 0.002 0.000 0.368 76 H C 0.086 175.082 175.328 -0.553 0.000 1.181 76 H CA -0.104 55.716 56.048 -0.379 0.000 1.146 76 H CB 1.736 31.487 29.762 -0.018 0.000 1.839 76 H HN 0.233 nan 8.280 nan 0.000 0.557 77 S N 0.419 115.774 115.700 -0.575 0.000 2.603 77 S HA 0.335 4.806 4.470 0.002 0.000 0.268 77 S C 1.382 175.958 174.600 -0.041 0.000 1.317 77 S CA -0.257 57.782 58.200 -0.269 0.000 1.012 77 S CB 1.424 64.529 63.200 -0.159 0.000 0.926 77 S HN 0.817 nan 8.310 nan 0.000 0.539 78 A N 2.042 124.857 122.820 -0.009 0.000 1.933 78 A HA 0.143 4.464 4.320 0.002 0.000 0.218 78 A C 2.366 179.956 177.584 0.009 0.000 1.175 78 A CA 1.701 53.738 52.037 -0.000 0.000 0.628 78 A CB -1.615 17.390 19.000 0.007 0.000 0.814 78 A HN 1.346 nan 8.150 nan 0.000 0.444 79 A N -0.905 121.931 122.820 0.026 0.000 1.902 79 A HA -0.160 4.161 4.320 0.002 0.000 0.217 79 A C 2.044 179.665 177.584 0.062 0.000 1.181 79 A CA 2.120 54.179 52.037 0.037 0.000 0.623 79 A CB -0.807 18.219 19.000 0.044 0.000 0.818 79 A HN 0.749 nan 8.150 nan 0.000 0.443 80 H N -0.465 118.593 119.070 -0.021 0.000 2.299 80 H HA -0.074 4.483 4.556 0.002 0.000 0.302 80 H C 1.791 177.142 175.328 0.038 0.000 1.078 80 H CA 1.754 57.795 56.048 -0.012 0.000 1.323 80 H CB -0.488 29.252 29.762 -0.037 0.000 1.381 80 H HN 0.269 nan 8.280 nan 0.000 0.498 81 L N 0.910 122.067 121.223 -0.110 0.000 1.971 81 L HA -0.191 4.151 4.340 0.002 0.000 0.215 81 L C 2.143 178.968 176.870 -0.075 0.000 1.072 81 L CA 2.133 56.910 54.840 -0.104 0.000 0.758 81 L CB -0.821 41.188 42.059 -0.083 0.000 0.889 81 L HN 0.289 nan 8.230 nan 0.000 0.433 82 E N -0.252 119.921 120.200 -0.045 0.000 2.097 82 E HA -0.283 4.069 4.350 0.002 0.000 0.196 82 E C 2.127 178.705 176.600 -0.037 0.000 1.000 82 E CA 1.564 57.946 56.400 -0.030 0.000 0.804 82 E CB -0.686 29.006 29.700 -0.013 0.000 0.740 82 E HN 0.603 nan 8.360 nan 0.000 0.454 83 N N -0.207 118.466 118.700 -0.045 0.000 2.188 83 N HA -0.107 4.634 4.740 0.002 0.000 0.184 83 N C 1.585 177.050 175.510 -0.074 0.000 1.018 83 N CA 1.008 54.034 53.050 -0.039 0.000 0.858 83 N CB -0.012 38.475 38.487 -0.000 0.000 0.989 83 N HN 0.010 nan 8.380 nan 0.000 0.426 84 M N 0.469 119.983 119.600 -0.144 0.000 2.132 84 M HA -0.036 4.446 4.480 0.002 0.000 0.263 84 M C 1.800 178.052 176.300 -0.079 0.000 1.065 84 M CA 1.221 56.422 55.300 -0.165 0.000 1.122 84 M CB -0.832 31.596 32.600 -0.286 0.000 1.365 84 M HN 0.123 nan 8.290 nan 0.000 0.411 85 K N -0.293 120.083 120.400 -0.041 0.000 2.063 85 K HA -0.177 4.144 4.320 0.002 0.000 0.208 85 K C 2.200 178.784 176.600 -0.027 0.000 1.048 85 K CA 1.364 57.638 56.287 -0.022 0.000 0.928 85 K CB -0.213 32.279 32.500 -0.015 0.000 0.713 85 K HN 0.234 nan 8.250 nan 0.000 0.442 86 R N 0.809 121.291 120.500 -0.030 0.000 2.073 86 R HA -0.123 4.218 4.340 0.002 0.000 0.234 86 R C 2.044 178.328 176.300 -0.026 0.000 1.134 86 R CA 1.425 57.511 56.100 -0.024 0.000 0.952 86 R CB -0.197 30.091 30.300 -0.020 0.000 0.850 86 R HN 0.002 nan 8.270 nan 0.000 0.433 87 V N 0.238 120.131 119.914 -0.036 0.000 2.343 87 V HA -0.202 3.920 4.120 0.002 0.000 0.247 87 V C 2.353 178.426 176.094 -0.036 0.000 1.051 87 V CA 2.058 64.337 62.300 -0.036 0.000 1.036 87 V CB -0.397 31.398 31.823 -0.046 0.000 0.654 87 V HN 0.423 nan 8.190 nan 0.000 0.451 88 S N -0.015 115.660 115.700 -0.041 0.000 2.402 88 S HA -0.148 4.323 4.470 0.002 0.000 0.229 88 S C 1.860 176.447 174.600 -0.022 0.000 1.021 88 S CA 1.175 59.354 58.200 -0.034 0.000 0.974 88 S CB -0.415 62.764 63.200 -0.034 0.000 0.800 88 S HN 0.597 nan 8.310 nan 0.000 0.484 89 N N 1.002 119.690 118.700 -0.020 0.000 2.494 89 N HA 0.121 4.863 4.740 0.002 0.000 0.182 89 N C 0.002 175.504 175.510 -0.013 0.000 1.076 89 N CA 0.131 53.172 53.050 -0.015 0.000 0.908 89 N CB -0.192 38.287 38.487 -0.013 0.000 0.967 89 N HN 0.460 nan 8.380 nan 0.000 0.449 90 L N 2.295 123.508 121.223 -0.015 0.000 2.456 90 L HA 0.081 4.422 4.340 0.002 0.000 0.272 90 L C -0.804 176.059 176.870 -0.012 0.000 1.189 90 L CA -1.182 53.650 54.840 -0.013 0.000 0.846 90 L CB 0.346 42.397 42.059 -0.014 0.000 1.111 90 L HN -0.057 nan 8.230 nan 0.000 0.475 91 P HA -0.160 nan 4.420 nan 0.000 0.217 91 P C 0.931 178.225 177.300 -0.010 0.000 1.148 91 P CA 1.520 64.615 63.100 -0.009 0.000 0.828 91 P CB 0.020 31.716 31.700 -0.007 0.000 0.783 92 T N -5.745 108.802 114.554 -0.012 0.000 3.084 92 T HA 0.523 4.874 4.350 0.002 0.000 0.270 92 T C 1.070 175.759 174.700 -0.017 0.000 1.008 92 T CA 0.196 62.287 62.100 -0.014 0.000 0.900 92 T CB -0.008 68.852 68.868 -0.013 0.000 1.084 92 T HN 0.330 nan 8.240 nan 0.000 0.538 93 G N 0.837 109.626 108.800 -0.018 0.000 2.527 93 G HA2 0.285 4.246 3.960 0.002 0.000 0.268 93 G HA3 0.285 4.246 3.960 0.002 0.000 0.268 93 G C 0.259 175.146 174.900 -0.022 0.000 1.175 93 G CA -0.143 44.944 45.100 -0.023 0.000 0.962 93 G HN 1.896 nan 8.290 nan 0.000 0.560 94 G N -1.184 107.600 108.800 -0.025 0.000 2.332 94 G HA2 0.509 4.470 3.960 0.002 0.000 0.265 94 G HA3 0.509 4.470 3.960 0.002 0.000 0.265 94 G C -1.164 173.723 174.900 -0.020 0.000 1.329 94 G CA 0.680 45.768 45.100 -0.020 0.000 0.949 94 G HN 1.654 nan 8.290 nan 0.000 0.476 95 D N -0.176 120.217 120.400 -0.011 0.000 2.351 95 D HA 0.472 5.113 4.640 0.002 0.000 0.251 95 D C 1.801 178.096 176.300 -0.008 0.000 1.137 95 D CA 0.777 54.774 54.000 -0.005 0.000 0.879 95 D CB 1.244 42.045 40.800 0.002 0.000 1.181 95 D HN 0.630 nan 8.370 nan 0.000 0.448 96 T N 0.457 115.007 114.554 -0.007 0.000 3.100 96 T HA 0.350 4.701 4.350 0.002 0.000 0.253 96 T C 1.310 176.015 174.700 0.009 0.000 1.118 96 T CA 0.420 62.516 62.100 -0.007 0.000 1.058 96 T CB 0.419 69.277 68.868 -0.018 0.000 0.953 96 T HN 0.563 nan 8.240 nan 0.000 0.515 97 G N 2.222 111.027 108.800 0.007 0.000 4.172 97 G HA2 -0.107 3.854 3.960 0.002 0.000 0.204 97 G HA3 -0.107 3.854 3.960 0.002 0.000 0.204 97 G C 0.439 175.342 174.900 0.005 0.000 1.256 97 G CA 0.286 45.390 45.100 0.006 0.000 0.886 97 G HN 0.528 nan 8.290 nan 0.000 0.344 98 D N 1.605 122.009 120.400 0.007 0.000 2.319 98 D HA 0.354 4.995 4.640 0.002 0.000 0.230 98 D C 1.791 178.101 176.300 0.016 0.000 1.094 98 D CA 0.796 54.800 54.000 0.008 0.000 0.856 98 D CB -0.370 40.434 40.800 0.008 0.000 0.915 98 D HN 1.549 nan 8.370 nan 0.000 0.517 99 G N 1.409 110.221 108.800 0.019 0.000 2.196 99 G HA2 -0.316 3.645 3.960 0.002 0.000 0.268 99 G HA3 -0.316 3.645 3.960 0.002 0.000 0.268 99 G C 0.730 175.656 174.900 0.043 0.000 0.975 99 G CA 0.665 45.780 45.100 0.025 0.000 0.648 99 G HN 0.658 nan 8.290 nan 0.000 0.538 100 I N -1.303 119.301 120.570 0.056 0.000 4.219 100 I HA 0.366 4.537 4.170 0.002 0.000 0.329 100 I C -0.433 175.783 176.117 0.165 0.000 1.427 100 I CA 0.661 62.030 61.300 0.115 0.000 1.151 100 I CB 0.350 38.420 38.000 0.117 0.000 1.369 100 I HN -0.064 nan 8.210 nan 0.000 0.521 101 T N 3.230 117.842 114.554 0.096 0.000 2.833 101 T HA 0.562 4.914 4.350 0.002 0.000 0.297 101 T C -0.447 174.271 174.700 0.030 0.000 1.015 101 T CA -0.130 62.028 62.100 0.097 0.000 0.963 101 T CB 1.453 70.367 68.868 0.077 0.000 0.955 101 T HN 0.067 nan 8.240 nan 0.000 0.449 102 M N 3.501 123.102 119.600 0.002 0.000 2.311 102 M HA 0.599 5.080 4.480 0.002 0.000 0.325 102 M C -0.669 175.598 176.300 -0.055 0.000 1.061 102 M CA -0.933 54.347 55.300 -0.033 0.000 0.957 102 M CB 1.747 34.315 32.600 -0.054 0.000 1.646 102 M HN 0.577 nan 8.290 nan 0.000 0.434 103 M N 2.239 121.806 119.600 -0.055 0.000 2.243 103 M HA 0.696 5.178 4.480 0.002 0.000 0.324 103 M C 0.206 176.477 176.300 -0.049 0.000 1.031 103 M CA -0.389 54.873 55.300 -0.063 0.000 0.949 103 M CB 1.477 34.030 32.600 -0.079 0.000 1.615 103 M HN 0.778 nan 8.290 nan 0.000 0.430 104 G N 2.683 111.456 108.800 -0.045 0.000 2.684 104 G HA2 0.032 3.993 3.960 0.002 0.000 0.255 104 G HA3 0.032 3.993 3.960 0.002 0.000 0.255 104 G C -0.413 174.472 174.900 -0.025 0.000 1.219 104 G CA -0.574 44.506 45.100 -0.032 0.000 0.901 104 G HN 0.860 nan 8.290 nan 0.000 0.548 105 N N -0.539 118.150 118.700 -0.018 0.000 2.412 105 N HA 0.330 5.071 4.740 0.002 0.000 0.258 105 N C 1.405 176.911 175.510 -0.007 0.000 1.236 105 N CA 1.546 54.588 53.050 -0.013 0.000 0.882 105 N CB 0.370 38.852 38.487 -0.009 0.000 1.066 105 N HN 1.141 nan 8.380 nan 0.000 0.465 106 G N 1.924 110.718 108.800 -0.009 0.000 2.166 106 G HA2 -0.265 3.696 3.960 0.002 0.000 0.260 106 G HA3 -0.265 3.696 3.960 0.002 0.000 0.260 106 G C 0.937 175.833 174.900 -0.008 0.000 0.986 106 G CA 0.549 45.645 45.100 -0.006 0.000 0.683 106 G HN 0.881 nan 8.290 nan 0.000 0.527 107 G N -0.207 108.583 108.800 -0.017 0.000 2.559 107 G HA2 0.166 4.128 3.960 0.002 0.000 0.216 107 G HA3 0.166 4.128 3.960 0.002 0.000 0.216 107 G C 1.595 176.476 174.900 -0.031 0.000 1.126 107 G CA 1.305 46.391 45.100 -0.024 0.000 0.778 107 G HN 0.909 nan 8.290 nan 0.000 0.543 108 L N 0.619 121.828 121.223 -0.024 0.000 2.141 108 L HA 0.093 4.434 4.340 0.002 0.000 0.209 108 L C 2.478 179.369 176.870 0.035 0.000 1.094 108 L CA 2.154 56.996 54.840 0.003 0.000 0.763 108 L CB -0.352 41.718 42.059 0.018 0.000 0.908 108 L HN 0.415 nan 8.230 nan 0.000 0.437 109 E N -0.059 120.146 120.200 0.008 0.000 2.085 109 E HA -0.257 4.094 4.350 0.002 0.000 0.194 109 E C 2.124 178.722 176.600 -0.003 0.000 0.994 109 E CA 2.088 58.485 56.400 -0.005 0.000 0.801 109 E CB -0.245 29.437 29.700 -0.030 0.000 0.743 109 E HN 0.678 nan 8.360 nan 0.000 0.453 110 I N 0.777 121.345 120.570 -0.004 0.000 2.315 110 I HA -0.182 3.990 4.170 0.002 0.000 0.248 110 I C 2.654 178.806 176.117 0.058 0.000 1.117 110 I CA 0.796 62.104 61.300 0.015 0.000 1.404 110 I CB -0.452 37.556 38.000 0.014 0.000 1.071 110 I HN 0.159 nan 8.210 nan 0.000 0.419 111 A N 1.376 124.223 122.820 0.045 0.000 1.877 111 A HA -0.190 4.131 4.320 0.002 0.000 0.216 111 A C 2.453 180.179 177.584 0.236 0.000 1.186 111 A CA 1.429 53.518 52.037 0.087 0.000 0.620 111 A CB -0.577 18.388 19.000 -0.059 0.000 0.822 111 A HN 0.306 nan 8.150 nan 0.000 0.443 112 R N -0.727 119.899 120.500 0.210 0.000 2.091 112 R HA -0.075 4.266 4.340 0.002 0.000 0.238 112 R C 2.008 178.352 176.300 0.073 0.000 1.136 112 R CA 1.511 57.688 56.100 0.129 0.000 0.959 112 R CB -0.515 29.823 30.300 0.062 0.000 0.856 112 R HN 0.507 nan 8.270 nan 0.000 0.437 113 L N -0.110 121.155 121.223 0.070 0.000 2.156 113 L HA -0.109 4.232 4.340 0.002 0.000 0.208 113 L C 2.629 179.619 176.870 0.199 0.000 1.095 113 L CA 0.759 55.643 54.840 0.073 0.000 0.770 113 L CB -0.268 41.787 42.059 -0.007 0.000 0.914 113 L HN 0.183 nan 8.230 nan 0.000 0.439 114 S N -0.207 115.596 115.700 0.170 0.000 2.345 114 S HA -0.153 4.318 4.470 0.002 0.000 0.220 114 S C 2.147 176.739 174.600 -0.014 0.000 1.031 114 S CA 1.293 59.467 58.200 -0.044 0.000 0.996 114 S CB -0.060 63.067 63.200 -0.122 0.000 0.882 114 S HN 0.428 nan 8.310 nan 0.000 0.445 115 A N 0.717 123.575 122.820 0.062 0.000 1.930 115 A HA 0.154 4.475 4.320 0.002 0.000 0.217 115 A C 2.323 179.908 177.584 0.000 0.000 1.175 115 A CA 1.726 53.797 52.037 0.057 0.000 0.627 115 A CB -1.547 17.520 19.000 0.112 0.000 0.815 115 A HN 0.630 nan 8.150 nan 0.000 0.443 116 G N -0.613 108.187 108.800 -0.001 0.000 2.432 116 G HA2 0.058 4.019 3.960 0.002 0.000 0.219 116 G HA3 0.058 4.019 3.960 0.002 0.000 0.219 116 G C 1.461 176.332 174.900 -0.049 0.000 1.135 116 G CA 1.212 46.286 45.100 -0.044 0.000 0.767 116 G HN 0.677 nan 8.290 nan 0.000 0.550 117 G N 1.201 110.003 108.800 0.004 0.000 2.421 117 G HA2 0.018 3.979 3.960 0.002 0.000 0.216 117 G HA3 0.018 3.979 3.960 0.002 0.000 0.216 117 G C 2.053 176.931 174.900 -0.038 0.000 1.171 117 G CA 1.551 46.658 45.100 0.013 0.000 0.775 117 G HN 0.602 nan 8.290 nan 0.000 0.543 118 A N 0.093 122.883 122.820 -0.051 0.000 1.877 118 A HA 0.059 4.381 4.320 0.002 0.000 0.216 118 A C 2.631 180.159 177.584 -0.093 0.000 1.186 118 A CA 1.923 53.921 52.037 -0.065 0.000 0.620 118 A CB -0.752 18.216 19.000 -0.053 0.000 0.822 118 A HN 0.266 nan 8.150 nan 0.000 0.443 119 V N 0.258 120.088 119.914 -0.140 0.000 2.255 119 V HA -0.252 3.869 4.120 0.002 0.000 0.247 119 V C 2.648 178.554 176.094 -0.312 0.000 1.051 119 V CA 2.270 64.390 62.300 -0.301 0.000 1.018 119 V CB -0.765 30.810 31.823 -0.414 0.000 0.641 119 V HN 0.515 nan 8.190 nan 0.000 0.445 120 E N -0.248 119.826 120.200 -0.210 0.000 2.085 120 E HA -0.190 4.161 4.350 0.002 0.000 0.194 120 E C 2.200 178.753 176.600 -0.079 0.000 0.994 120 E CA 1.140 57.454 56.400 -0.144 0.000 0.801 120 E CB -0.402 29.242 29.700 -0.094 0.000 0.743 120 E HN 0.482 nan 8.360 nan 0.000 0.453 121 L N 0.745 121.935 121.223 -0.055 0.000 2.017 121 L HA -0.190 4.152 4.340 0.002 0.000 0.208 121 L C 2.324 179.189 176.870 -0.008 0.000 1.073 121 L CA 1.592 56.425 54.840 -0.012 0.000 0.745 121 L CB -0.565 41.495 42.059 0.001 0.000 0.894 121 L HN 0.184 nan 8.230 nan 0.000 0.432 122 T N -0.767 113.767 114.554 -0.033 0.000 2.635 122 T HA -0.303 4.048 4.350 0.002 0.000 0.267 122 T C 1.892 176.614 174.700 0.038 0.000 1.040 122 T CA 1.795 63.894 62.100 -0.002 0.000 1.156 122 T CB -0.302 68.566 68.868 -0.001 0.000 0.863 122 T HN 0.300 nan 8.240 nan 0.000 0.430 123 R N 0.820 121.325 120.500 0.008 0.000 2.113 123 R HA -0.126 4.215 4.340 0.002 0.000 0.244 123 R C 2.428 178.770 176.300 0.070 0.000 1.142 123 R CA 1.653 57.809 56.100 0.093 0.000 0.953 123 R CB -0.076 30.237 30.300 0.021 0.000 0.860 123 R HN 0.358 nan 8.270 nan 0.000 0.438 124 R N -0.546 119.976 120.500 0.036 0.000 2.200 124 R HA 0.037 4.378 4.340 0.002 0.000 0.208 124 R C 2.174 178.502 176.300 0.046 0.000 1.033 124 R CA 0.603 56.727 56.100 0.040 0.000 1.000 124 R CB 0.185 30.504 30.300 0.033 0.000 0.906 124 R HN 0.108 nan 8.270 nan 0.000 0.462 125 V N 1.090 121.032 119.914 0.047 0.000 2.323 125 V HA -0.186 3.936 4.120 0.002 0.000 0.244 125 V C 2.421 178.542 176.094 0.045 0.000 1.041 125 V CA 2.066 64.396 62.300 0.050 0.000 1.025 125 V CB -0.500 31.353 31.823 0.050 0.000 0.656 125 V HN 0.353 nan 8.190 nan 0.000 0.451 126 A N -0.970 121.879 122.820 0.047 0.000 1.898 126 A HA -0.223 4.098 4.320 0.002 0.000 0.216 126 A C 2.401 180.007 177.584 0.037 0.000 1.181 126 A CA 2.330 54.392 52.037 0.042 0.000 0.620 126 A CB -0.994 18.039 19.000 0.054 0.000 0.819 126 A HN 0.436 nan 8.150 nan 0.000 0.442 127 T N -1.435 113.146 114.554 0.045 0.000 2.737 127 T HA 0.083 4.434 4.350 0.002 0.000 0.269 127 T C 1.501 176.219 174.700 0.032 0.000 1.040 127 T CA 2.461 64.584 62.100 0.038 0.000 1.142 127 T CB -0.390 68.504 68.868 0.044 0.000 0.861 127 T HN 1.535 nan 8.240 nan 0.000 0.456 128 G N 0.207 109.028 108.800 0.035 0.000 2.195 128 G HA2 -0.239 3.722 3.960 0.002 0.000 0.224 128 G HA3 -0.239 3.722 3.960 0.002 0.000 0.224 128 G C 0.757 175.679 174.900 0.036 0.000 0.990 128 G CA 0.803 45.923 45.100 0.033 0.000 0.639 128 G HN 0.545 nan 8.290 nan 0.000 0.514 129 E N -0.164 120.058 120.200 0.037 0.000 2.085 129 E HA -0.027 4.325 4.350 0.002 0.000 0.194 129 E C 0.845 177.472 176.600 0.045 0.000 0.994 129 E CA 0.833 57.255 56.400 0.038 0.000 0.801 129 E CB -0.090 29.631 29.700 0.036 0.000 0.743 129 E HN 0.604 nan 8.360 nan 0.000 0.453 130 L N 0.302 121.556 121.223 0.051 0.000 2.334 130 L HA 0.181 4.522 4.340 0.002 0.000 0.276 130 L C 1.316 178.224 176.870 0.064 0.000 1.014 130 L CA -0.398 54.480 54.840 0.063 0.000 0.815 130 L CB 1.938 44.040 42.059 0.073 0.000 1.268 130 L HN -0.001 nan 8.230 nan 0.000 0.428 131 S N 0.899 116.642 115.700 0.072 0.000 2.425 131 S HA 0.332 4.803 4.470 0.002 0.000 0.225 131 S C 0.594 175.248 174.600 0.090 0.000 1.024 131 S CA 0.384 58.628 58.200 0.073 0.000 0.951 131 S CB 0.256 63.498 63.200 0.071 0.000 0.796 131 S HN 0.744 nan 8.310 nan 0.000 0.498 132 A N -0.634 122.254 122.820 0.112 0.000 2.557 132 A HA 0.848 5.169 4.320 0.002 0.000 0.292 132 A C -0.286 177.401 177.584 0.171 0.000 1.139 132 A CA -0.405 51.722 52.037 0.149 0.000 0.665 132 A CB 0.848 19.962 19.000 0.190 0.000 1.285 132 A HN 1.213 nan 8.150 nan 0.000 0.433 133 G N -1.877 107.058 108.800 0.225 0.000 2.523 133 G HA2 0.534 4.496 3.960 0.002 0.000 0.291 133 G HA3 0.534 4.496 3.960 0.002 0.000 0.291 133 G C -2.308 172.790 174.900 0.330 0.000 1.450 133 G CA -0.359 44.892 45.100 0.251 0.000 0.790 133 G HN 1.297 nan 8.290 nan 0.000 0.496 134 Y N 0.701 121.148 120.300 0.245 0.000 2.326 134 Y HA 0.596 5.148 4.550 0.002 0.000 0.329 134 Y C 0.139 176.126 175.900 0.146 0.000 0.973 134 Y CA -0.673 57.583 58.100 0.260 0.000 1.162 134 Y CB 1.879 40.510 38.460 0.286 0.000 1.147 134 Y HN 0.814 nan 8.280 nan 0.000 0.456 135 A N 7.448 130.308 122.820 0.067 0.000 2.341 135 A HA 0.342 4.663 4.320 0.002 0.000 0.326 135 A C -0.912 176.749 177.584 0.129 0.000 1.402 135 A CA -0.602 51.464 52.037 0.048 0.000 0.957 135 A CB -0.010 18.967 19.000 -0.037 0.000 1.151 135 A HN 0.884 nan 8.150 nan 0.000 0.533 136 L N 5.349 126.696 121.223 0.206 0.000 2.399 136 L HA 0.291 4.632 4.340 0.002 0.000 0.257 136 L C -0.012 176.907 176.870 0.082 0.000 1.236 136 L CA -0.328 54.673 54.840 0.269 0.000 1.144 136 L CB -0.097 42.051 42.059 0.149 0.000 1.379 136 L HN 0.622 nan 8.230 nan 0.000 0.414 137 V N 1.100 120.902 119.914 -0.186 0.000 2.834 137 V HA 0.696 4.817 4.120 0.002 0.000 0.313 137 V C -0.523 175.214 176.094 -0.595 0.000 1.060 137 V CA -0.709 61.095 62.300 -0.826 0.000 0.989 137 V CB 1.990 33.463 31.823 -0.583 0.000 1.041 137 V HN 0.702 nan 8.190 nan 0.000 0.459 138 N N 2.047 120.228 118.700 -0.865 0.000 2.516 138 N HA 0.570 5.311 4.740 0.002 0.000 0.268 138 N C -3.217 172.148 175.510 -0.243 0.000 1.096 138 N CA -1.138 51.727 53.050 -0.308 0.000 0.954 138 N CB 2.984 41.422 38.487 -0.083 0.000 1.676 138 N HN 0.621 nan 8.380 nan 0.000 0.490 139 P HA 0.278 nan 4.420 nan 0.000 0.272 139 P C -2.705 174.582 177.300 -0.022 0.000 1.240 139 P CA -0.780 62.300 63.100 -0.034 0.000 0.791 139 P CB 0.052 31.744 31.700 -0.013 0.000 0.978 140 P HA 0.140 nan 4.420 nan 0.000 0.277 140 P C 0.436 177.804 177.300 0.113 0.000 1.271 140 P CA 0.081 63.232 63.100 0.085 0.000 0.795 140 P CB 0.559 32.364 31.700 0.174 0.000 1.101 141 G N -1.012 107.862 108.800 0.123 0.000 2.707 141 G HA2 -0.045 3.916 3.960 0.002 0.000 0.198 141 G HA3 -0.045 3.916 3.960 0.002 0.000 0.198 141 G C 1.173 176.186 174.900 0.188 0.000 1.065 141 G CA 0.370 45.564 45.100 0.156 0.000 0.763 141 G HN 0.730 nan 8.290 nan 0.000 0.625 142 H N -1.275 117.763 119.070 -0.053 0.000 2.518 142 H HA 0.084 4.641 4.556 0.002 0.000 0.289 142 H C 1.829 177.077 175.328 -0.133 0.000 1.051 142 H CA 1.087 57.068 56.048 -0.112 0.000 1.280 142 H CB -0.120 29.542 29.762 -0.166 0.000 1.380 142 H HN 0.302 nan 8.280 nan 0.000 0.566 143 H N 0.832 119.831 119.070 -0.119 0.000 2.551 143 H HA 0.351 4.909 4.556 0.002 0.000 0.266 143 H C 0.753 176.038 175.328 -0.071 0.000 0.964 143 H CA 0.489 56.432 56.048 -0.175 0.000 1.180 143 H CB 0.053 29.759 29.762 -0.094 0.000 1.408 143 H HN 0.514 nan 8.280 nan 0.000 0.563 144 A N 4.335 127.224 122.820 0.116 0.000 2.395 144 A HA 0.244 4.566 4.320 0.002 0.000 0.286 144 A C -1.978 175.668 177.584 0.104 0.000 1.193 144 A CA -1.090 51.002 52.037 0.091 0.000 0.852 144 A CB 0.208 19.301 19.000 0.155 0.000 1.118 144 A HN 0.073 nan 8.150 nan 0.000 0.524 145 P HA 0.085 nan 4.420 nan 0.000 0.279 145 P C 0.628 177.970 177.300 0.070 0.000 1.282 145 P CA -0.189 62.911 63.100 -0.000 0.000 0.788 145 P CB 0.608 32.277 31.700 -0.052 0.000 1.139 146 H N 0.217 119.238 119.070 -0.083 0.000 2.292 146 H HA -0.188 4.369 4.556 0.002 0.000 0.292 146 H C 1.312 176.687 175.328 0.078 0.000 1.100 146 H CA 2.454 58.472 56.048 -0.050 0.000 1.238 146 H CB -0.137 29.550 29.762 -0.125 0.000 1.355 146 H HN 0.398 nan 8.280 nan 0.000 0.484 147 N N -0.229 118.470 118.700 -0.002 0.000 2.328 147 N HA 0.318 5.059 4.740 0.002 0.000 0.247 147 N C -1.236 174.160 175.510 -0.189 0.000 1.165 147 N CA 0.450 53.461 53.050 -0.064 0.000 0.873 147 N CB 0.424 38.936 38.487 0.041 0.000 1.125 147 N HN 0.391 nan 8.380 nan 0.000 0.513 148 A N -0.123 122.413 122.820 -0.473 0.000 2.608 148 A HA 0.704 5.025 4.320 0.002 0.000 0.292 148 A C -1.421 175.790 177.584 -0.621 0.000 1.066 148 A CA -0.603 51.160 52.037 -0.458 0.000 0.676 148 A CB 0.976 19.877 19.000 -0.164 0.000 1.277 148 A HN 0.153 nan 8.150 nan 0.000 0.413 149 A N 0.927 123.618 122.820 -0.215 0.000 2.310 149 A HA 0.843 5.164 4.320 0.002 0.000 0.299 149 A C -0.218 177.346 177.584 -0.034 0.000 1.147 149 A CA -0.036 51.968 52.037 -0.055 0.000 0.818 149 A CB 0.590 19.616 19.000 0.043 0.000 1.096 149 A HN 1.872 nan 8.150 nan 0.000 0.495 150 M N 1.925 121.527 119.600 0.002 0.000 2.490 150 M HA 0.509 4.990 4.480 0.002 0.000 0.286 150 M C 0.212 176.533 176.300 0.035 0.000 1.185 150 M CA 0.620 55.928 55.300 0.014 0.000 0.912 150 M CB 1.678 34.278 32.600 -0.000 0.000 1.744 150 M HN 1.983 nan 8.290 nan 0.000 0.494 151 G N 3.689 112.436 108.800 -0.088 0.000 2.357 151 G HA2 -0.258 3.703 3.960 0.002 0.000 0.282 151 G HA3 -0.258 3.703 3.960 0.002 0.000 0.282 151 G C 0.128 174.862 174.900 -0.277 0.000 0.910 151 G CA 0.974 45.816 45.100 -0.429 0.000 1.267 151 G HN 1.258 nan 8.290 nan 0.000 0.476 152 F N -4.112 115.855 119.950 0.029 0.000 2.705 152 F HA -0.330 4.198 4.527 0.002 0.000 0.413 152 F C 1.461 177.292 175.800 0.050 0.000 0.588 152 F CA 0.384 58.410 58.000 0.043 0.000 1.187 152 F CB -2.015 37.043 39.000 0.097 0.000 1.737 152 F HN 0.586 nan 8.300 nan 0.000 0.285 153 C N 2.232 121.653 119.300 0.201 0.000 2.330 153 C HA 0.466 4.928 4.460 0.002 0.000 0.344 153 C C 1.815 176.819 174.990 0.024 0.000 1.273 153 C CA -0.877 58.220 59.018 0.132 0.000 1.879 153 C CB 0.730 28.573 27.740 0.171 0.000 2.376 153 C HN 0.221 nan 8.230 nan 0.000 0.534 154 I N 0.763 121.281 120.570 -0.087 0.000 2.685 154 I HA 0.252 4.423 4.170 0.002 0.000 0.251 154 I C 0.252 176.113 176.117 -0.426 0.000 1.102 154 I CA 1.106 62.199 61.300 -0.345 0.000 1.442 154 I CB -0.603 37.031 38.000 -0.610 0.000 1.194 154 I HN 0.390 nan 8.210 nan 0.000 0.448 155 F N 0.678 120.656 119.950 0.047 0.000 2.546 155 F HA 0.383 4.912 4.527 0.002 0.000 0.320 155 F C 0.747 176.683 175.800 0.227 0.000 1.076 155 F CA -1.671 56.373 58.000 0.074 0.000 0.928 155 F CB 0.364 39.411 39.000 0.077 0.000 1.189 155 F HN -0.117 nan 8.300 nan 0.000 0.465 156 N N 2.836 121.938 118.700 0.670 0.000 2.466 156 N HA -0.003 4.738 4.740 0.002 0.000 0.263 156 N C 0.664 176.333 175.510 0.264 0.000 1.178 156 N CA 0.208 53.474 53.050 0.359 0.000 0.983 156 N CB 0.078 38.707 38.487 0.236 0.000 1.331 156 N HN 0.550 nan 8.380 nan 0.000 0.500 157 N N 1.309 120.124 118.700 0.192 0.000 2.061 157 N HA -0.191 4.550 4.740 0.002 0.000 0.193 157 N C 1.662 177.221 175.510 0.082 0.000 1.030 157 N CA 2.119 55.238 53.050 0.115 0.000 0.856 157 N CB -0.585 37.928 38.487 0.042 0.000 1.023 157 N HN 0.625 nan 8.380 nan 0.000 0.424 158 T N -1.460 113.134 114.554 0.066 0.000 2.788 158 T HA -0.002 4.349 4.350 0.002 0.000 0.268 158 T C 2.136 176.915 174.700 0.131 0.000 1.044 158 T CA 1.451 63.578 62.100 0.045 0.000 1.139 158 T CB -0.441 68.423 68.868 -0.007 0.000 0.867 158 T HN 0.040 nan 8.240 nan 0.000 0.454 159 S N 1.120 116.963 115.700 0.238 0.000 2.383 159 S HA -0.002 4.470 4.470 0.002 0.000 0.227 159 S C 2.254 177.057 174.600 0.339 0.000 1.026 159 S CA 0.945 59.411 58.200 0.443 0.000 0.981 159 S CB -0.583 62.851 63.200 0.390 0.000 0.818 159 S HN 0.395 nan 8.310 nan 0.000 0.472 160 V N 2.259 122.286 119.914 0.189 0.000 2.287 160 V HA -0.244 3.877 4.120 0.002 0.000 0.248 160 V C 2.695 178.885 176.094 0.161 0.000 1.053 160 V CA 1.853 64.241 62.300 0.147 0.000 1.027 160 V CB -1.242 30.639 31.823 0.097 0.000 0.646 160 V HN 0.554 nan 8.190 nan 0.000 0.447 161 A N -0.166 122.723 122.820 0.114 0.000 1.898 161 A HA -0.074 4.247 4.320 0.002 0.000 0.216 161 A C 2.434 180.097 177.584 0.131 0.000 1.181 161 A CA 1.992 54.082 52.037 0.088 0.000 0.620 161 A CB -0.799 18.209 19.000 0.012 0.000 0.819 161 A HN 0.576 nan 8.150 nan 0.000 0.442 162 A N -0.417 122.462 122.820 0.098 0.000 1.908 162 A HA 0.076 4.397 4.320 0.002 0.000 0.218 162 A C 2.394 180.020 177.584 0.070 0.000 1.181 162 A CA 1.981 54.015 52.037 -0.006 0.000 0.627 162 A CB -1.377 17.491 19.000 -0.219 0.000 0.818 162 A HN 0.763 nan 8.150 nan 0.000 0.445 163 G N -2.266 106.706 108.800 0.286 0.000 2.443 163 G HA2 -0.210 3.752 3.960 0.002 0.000 0.219 163 G HA3 -0.210 3.752 3.960 0.002 0.000 0.219 163 G C 1.504 176.519 174.900 0.190 0.000 1.131 163 G CA 1.178 46.483 45.100 0.341 0.000 0.775 163 G HN 0.613 nan 8.290 nan 0.000 0.547 164 Y N 1.698 122.042 120.300 0.072 0.000 2.220 164 Y HA 0.170 4.721 4.550 0.002 0.000 0.291 164 Y C 2.864 178.772 175.900 0.013 0.000 1.129 164 Y CA 1.253 59.374 58.100 0.035 0.000 1.161 164 Y CB -0.174 38.300 38.460 0.023 0.000 0.997 164 Y HN 0.218 nan 8.280 nan 0.000 0.522 165 A N 0.855 123.747 122.820 0.120 0.000 1.933 165 A HA -0.152 4.169 4.320 0.002 0.000 0.218 165 A C 2.309 179.851 177.584 -0.071 0.000 1.175 165 A CA 1.585 53.634 52.037 0.021 0.000 0.628 165 A CB -0.482 18.539 19.000 0.035 0.000 0.814 165 A HN 0.458 nan 8.150 nan 0.000 0.444 166 R N -0.845 119.620 120.500 -0.058 0.000 2.055 166 R HA 0.012 4.354 4.340 0.002 0.000 0.228 166 R C 2.567 178.824 176.300 -0.071 0.000 1.143 166 R CA 1.332 57.397 56.100 -0.059 0.000 0.945 166 R CB -0.642 29.640 30.300 -0.030 0.000 0.841 166 R HN 0.492 nan 8.270 nan 0.000 0.429 167 A N 0.394 123.171 122.820 -0.072 0.000 1.897 167 A HA -0.044 4.277 4.320 0.002 0.000 0.215 167 A C 2.295 179.783 177.584 -0.161 0.000 1.181 167 A CA 1.146 53.132 52.037 -0.084 0.000 0.620 167 A CB -0.250 18.723 19.000 -0.045 0.000 0.821 167 A HN 0.117 nan 8.150 nan 0.000 0.443 168 V N -0.435 119.291 119.914 -0.314 0.000 2.575 168 V HA 0.017 4.138 4.120 0.002 0.000 0.242 168 V C 2.049 177.957 176.094 -0.310 0.000 1.045 168 V CA 1.197 63.256 62.300 -0.402 0.000 1.065 168 V CB -0.329 30.988 31.823 -0.843 0.000 0.717 168 V HN 0.505 nan 8.190 nan 0.000 0.467 169 L N 0.426 121.468 121.223 -0.302 0.000 2.592 169 L HA 0.382 4.723 4.340 0.002 0.000 0.227 169 L C 1.741 178.552 176.870 -0.098 0.000 1.127 169 L CA 0.772 55.518 54.840 -0.157 0.000 0.884 169 L CB -0.473 41.529 42.059 -0.095 0.000 1.065 169 L HN 0.506 nan 8.230 nan 0.000 0.457 170 G N 0.838 109.577 108.800 -0.103 0.000 2.187 170 G HA2 -0.332 3.629 3.960 0.002 0.000 0.261 170 G HA3 -0.332 3.629 3.960 0.002 0.000 0.261 170 G C 0.360 175.221 174.900 -0.065 0.000 1.000 170 G CA 0.134 45.189 45.100 -0.074 0.000 0.718 170 G HN 0.296 nan 8.290 nan 0.000 0.519 171 M N -0.019 119.541 119.600 -0.067 0.000 2.239 171 M HA 0.190 4.671 4.480 0.002 0.000 0.348 171 M C 1.418 177.672 176.300 -0.077 0.000 1.239 171 M CA 0.136 55.397 55.300 -0.066 0.000 1.114 171 M CB 0.498 33.062 32.600 -0.060 0.000 1.641 171 M HN 0.059 nan 8.290 nan 0.000 0.453 172 E N 2.290 122.438 120.200 -0.087 0.000 2.190 172 E HA 0.100 4.452 4.350 0.002 0.000 0.191 172 E C 0.044 176.569 176.600 -0.125 0.000 0.978 172 E CA 0.954 57.293 56.400 -0.100 0.000 0.839 172 E CB 0.427 30.064 29.700 -0.106 0.000 0.787 172 E HN 0.565 nan 8.360 nan 0.000 0.473 173 R N 0.203 120.622 120.500 -0.135 0.000 2.574 173 R HA 0.526 4.868 4.340 0.002 0.000 0.288 173 R C -1.117 175.163 176.300 -0.033 0.000 1.004 173 R CA -0.462 55.561 56.100 -0.128 0.000 0.895 173 R CB 2.617 32.677 30.300 -0.399 0.000 1.191 173 R HN -0.191 nan 8.270 nan 0.000 0.444 174 V N 1.614 121.540 119.914 0.020 0.000 2.588 174 V HA 0.626 4.747 4.120 0.002 0.000 0.304 174 V C -0.460 175.616 176.094 -0.030 0.000 1.042 174 V CA -0.918 61.354 62.300 -0.046 0.000 0.877 174 V CB 1.913 33.625 31.823 -0.185 0.000 0.996 174 V HN 0.905 nan 8.190 nan 0.000 0.425 175 A N 5.682 128.481 122.820 -0.034 0.000 2.288 175 A HA 0.860 5.181 4.320 0.002 0.000 0.320 175 A C -0.610 176.876 177.584 -0.163 0.000 1.217 175 A CA -0.448 51.517 52.037 -0.120 0.000 0.840 175 A CB 0.430 19.395 19.000 -0.059 0.000 1.179 175 A HN 0.786 nan 8.150 nan 0.000 0.504 176 I N 3.392 123.852 120.570 -0.182 0.000 2.328 176 I HA 0.243 4.414 4.170 0.002 0.000 0.287 176 I C -0.644 175.398 176.117 -0.124 0.000 1.012 176 I CA -0.506 60.700 61.300 -0.155 0.000 1.195 176 I CB 1.312 39.245 38.000 -0.112 0.000 1.350 176 I HN 0.577 nan 8.210 nan 0.000 0.464 177 L N 7.121 128.242 121.223 -0.171 0.000 2.272 177 L HA 0.516 4.857 4.340 0.002 0.000 0.289 177 L C -0.732 176.020 176.870 -0.197 0.000 1.032 177 L CA 0.155 54.914 54.840 -0.135 0.000 0.810 177 L CB 1.168 43.143 42.059 -0.139 0.000 1.205 177 L HN 0.440 nan 8.230 nan 0.000 0.422 178 D N 4.581 124.954 120.400 -0.044 0.000 2.453 178 D HA 0.232 4.873 4.640 0.002 0.000 0.238 178 D C -0.469 175.930 176.300 0.165 0.000 1.088 178 D CA -0.488 53.493 54.000 -0.032 0.000 0.854 178 D CB 0.734 41.584 40.800 0.083 0.000 1.076 178 D HN 0.602 nan 8.370 nan 0.000 0.533 179 W N 3.613 124.965 121.300 0.086 0.000 2.991 179 W HA 0.387 5.049 4.660 0.002 0.000 0.391 179 W C -0.004 176.606 176.519 0.153 0.000 1.054 179 W CA -1.042 56.413 57.345 0.184 0.000 1.856 179 W CB -0.900 28.701 29.460 0.234 0.000 1.132 179 W HN 0.143 nan 8.180 nan 0.000 0.601 180 D N 1.456 122.050 120.400 0.323 0.000 2.478 180 D HA -0.133 4.508 4.640 0.002 0.000 0.234 180 D C 1.187 177.691 176.300 0.341 0.000 1.154 180 D CA 0.467 54.596 54.000 0.215 0.000 0.874 180 D CB 2.250 42.988 40.800 -0.104 0.000 1.198 180 D HN 0.055 nan 8.370 nan 0.000 0.455 181 V N 3.656 123.715 119.914 0.241 0.000 3.217 181 V HA -0.080 4.041 4.120 0.002 0.000 0.264 181 V C 0.145 176.332 176.094 0.156 0.000 1.135 181 V CA 1.105 63.512 62.300 0.179 0.000 1.142 181 V CB -0.567 31.271 31.823 0.025 0.000 0.754 181 V HN 0.461 nan 8.190 nan 0.000 0.484 182 H N -0.669 118.704 119.070 0.505 0.000 2.479 182 H HA 0.431 4.988 4.556 0.002 0.000 0.335 182 H C -0.120 175.473 175.328 0.443 0.000 1.142 182 H CA -0.644 55.705 56.048 0.501 0.000 1.234 182 H CB 0.768 30.912 29.762 0.635 0.000 1.503 182 H HN 0.375 nan 8.280 nan 0.000 0.510 183 H N 1.374 120.542 119.070 0.163 0.000 3.034 183 H HA 0.040 4.597 4.556 0.002 0.000 0.324 183 H C 0.685 175.988 175.328 -0.040 0.000 1.015 183 H CA -0.077 55.825 56.048 -0.243 0.000 1.429 183 H CB 0.488 29.893 29.762 -0.595 0.000 1.429 183 H HN 0.866 nan 8.280 nan 0.000 0.585 184 G N 5.188 113.767 108.800 -0.369 0.000 3.458 184 G HA2 -0.085 3.877 3.960 0.002 0.000 0.256 184 G HA3 -0.085 3.877 3.960 0.002 0.000 0.256 184 G C 1.080 175.609 174.900 -0.619 0.000 0.938 184 G CA -0.069 44.800 45.100 -0.385 0.000 1.890 184 G HN 0.905 nan 8.290 nan 0.000 0.639 185 N N 0.972 119.173 118.700 -0.832 0.000 2.166 185 N HA -0.123 4.619 4.740 0.002 0.000 0.186 185 N C 2.060 177.451 175.510 -0.198 0.000 1.019 185 N CA 1.463 54.199 53.050 -0.524 0.000 0.856 185 N CB -0.420 37.895 38.487 -0.287 0.000 0.993 185 N HN 0.282 nan 8.380 nan 0.000 0.426 186 G N 0.469 109.186 108.800 -0.139 0.000 2.402 186 G HA2 -0.179 3.783 3.960 0.002 0.000 0.216 186 G HA3 -0.179 3.783 3.960 0.002 0.000 0.216 186 G C 1.515 176.408 174.900 -0.012 0.000 1.162 186 G CA 1.364 46.435 45.100 -0.049 0.000 0.777 186 G HN 0.408 nan 8.290 nan 0.000 0.539 187 T N 0.449 115.021 114.554 0.030 0.000 2.708 187 T HA -0.160 4.191 4.350 0.002 0.000 0.266 187 T C 2.266 177.098 174.700 0.220 0.000 1.037 187 T CA 1.546 63.741 62.100 0.158 0.000 1.146 187 T CB -0.277 68.704 68.868 0.189 0.000 0.865 187 T HN 0.437 nan 8.240 nan 0.000 0.435 188 Q N 0.876 120.773 119.800 0.163 0.000 2.096 188 Q HA -0.237 4.104 4.340 0.002 0.000 0.204 188 Q C 2.060 178.208 176.000 0.247 0.000 0.982 188 Q CA 2.150 58.116 55.803 0.272 0.000 0.850 188 Q CB -0.267 28.631 28.738 0.267 0.000 0.901 188 Q HN 0.571 nan 8.270 nan 0.000 0.422 189 D N -0.300 120.122 120.400 0.037 0.000 2.097 189 D HA -0.159 4.483 4.640 0.002 0.000 0.195 189 D C 1.798 178.071 176.300 -0.046 0.000 0.989 189 D CA 1.569 55.528 54.000 -0.068 0.000 0.827 189 D CB -0.104 40.624 40.800 -0.121 0.000 0.966 189 D HN 0.402 nan 8.370 nan 0.000 0.456 190 I N -0.923 119.556 120.570 -0.153 0.000 2.252 190 I HA -0.143 4.028 4.170 0.002 0.000 0.245 190 I C 1.055 176.848 176.117 -0.540 0.000 1.102 190 I CA 0.850 61.870 61.300 -0.467 0.000 1.385 190 I CB -0.158 37.388 38.000 -0.758 0.000 1.064 190 I HN 0.205 nan 8.210 nan 0.000 0.414 191 W N -0.513 120.851 121.300 0.107 0.000 3.239 191 W HA 0.107 4.768 4.660 0.002 0.000 0.368 191 W C 1.905 178.527 176.519 0.171 0.000 1.154 191 W CA -0.734 56.672 57.345 0.102 0.000 1.860 191 W CB -0.374 29.125 29.460 0.064 0.000 1.094 191 W HN 0.174 nan 8.180 nan 0.000 0.643 192 W N 1.940 123.312 121.300 0.119 0.000 2.304 192 W HA -0.280 4.382 4.660 0.002 0.000 0.315 192 W C 0.852 177.436 176.519 0.109 0.000 1.233 192 W CA 1.594 58.997 57.345 0.098 0.000 1.261 192 W CB -0.173 29.309 29.460 0.037 0.000 1.150 192 W HN -0.123 nan 8.180 nan 0.000 0.494 193 N N 0.461 119.289 118.700 0.213 0.000 2.314 193 N HA -0.026 4.715 4.740 0.002 0.000 0.200 193 N C -0.913 174.649 175.510 0.087 0.000 1.135 193 N CA 0.714 53.814 53.050 0.084 0.000 0.835 193 N CB -0.082 38.472 38.487 0.113 0.000 0.989 193 N HN 0.032 nan 8.380 nan 0.000 0.478 194 D N 0.724 121.209 120.400 0.142 0.000 2.462 194 D HA 0.197 4.838 4.640 0.002 0.000 0.245 194 D C -1.830 174.506 176.300 0.061 0.000 1.122 194 D CA -1.881 52.208 54.000 0.148 0.000 0.864 194 D CB 2.355 43.350 40.800 0.325 0.000 1.098 194 D HN -0.037 nan 8.370 nan 0.000 0.541 195 P HA -0.070 nan 4.420 nan 0.000 0.233 195 P C 1.072 178.215 177.300 -0.263 0.000 1.167 195 P CA 0.397 63.257 63.100 -0.399 0.000 0.770 195 P CB 0.245 31.581 31.700 -0.607 0.000 0.837 196 S N -1.192 114.442 115.700 -0.111 0.000 2.515 196 S HA 0.030 4.501 4.470 0.002 0.000 0.231 196 S C 0.767 175.311 174.600 -0.094 0.000 0.987 196 S CA 0.129 58.283 58.200 -0.077 0.000 0.936 196 S CB -0.775 62.383 63.200 -0.070 0.000 0.766 196 S HN -0.060 nan 8.310 nan 0.000 0.528 197 V N 2.463 122.265 119.914 -0.187 0.000 2.443 197 V HA 0.521 4.643 4.120 0.002 0.000 0.293 197 V C -0.626 175.295 176.094 -0.287 0.000 1.021 197 V CA -0.930 61.130 62.300 -0.400 0.000 0.848 197 V CB 1.431 32.553 31.823 -1.169 0.000 0.998 197 V HN 0.481 nan 8.190 nan 0.000 0.424 198 L N 6.046 127.012 121.223 -0.428 0.000 2.276 198 L HA 0.730 5.071 4.340 0.002 0.000 0.286 198 L C 0.481 177.193 176.870 -0.263 0.000 1.061 198 L CA 0.583 55.123 54.840 -0.500 0.000 0.807 198 L CB 1.527 42.891 42.059 -1.158 0.000 1.177 198 L HN 0.828 nan 8.230 nan 0.000 0.429 199 T N 3.934 118.428 114.554 -0.101 0.000 2.770 199 T HA 0.707 5.059 4.350 0.002 0.000 0.283 199 T C -0.203 174.510 174.700 0.023 0.000 0.988 199 T CA -0.471 61.626 62.100 -0.004 0.000 0.957 199 T CB 0.508 69.454 68.868 0.130 0.000 0.930 199 T HN 0.487 nan 8.240 nan 0.000 0.443 200 I N 2.404 122.988 120.570 0.023 0.000 2.465 200 I HA 0.577 4.748 4.170 0.002 0.000 0.291 200 I C 0.032 176.232 176.117 0.138 0.000 1.014 200 I CA -0.881 60.457 61.300 0.064 0.000 1.093 200 I CB 2.155 40.170 38.000 0.025 0.000 1.267 200 I HN 0.664 nan 8.210 nan 0.000 0.431 201 S N 7.068 122.903 115.700 0.225 0.000 2.594 201 S HA 0.695 5.166 4.470 0.002 0.000 0.296 201 S C -0.884 173.916 174.600 0.334 0.000 1.124 201 S CA -0.606 57.806 58.200 0.355 0.000 1.011 201 S CB 0.788 64.295 63.200 0.511 0.000 1.016 201 S HN 0.479 nan 8.310 nan 0.000 0.485 202 L N 6.856 128.262 121.223 0.305 0.000 2.309 202 L HA 0.713 5.055 4.340 0.002 0.000 0.282 202 L C 0.061 177.092 176.870 0.268 0.000 1.036 202 L CA -0.819 54.098 54.840 0.129 0.000 0.806 202 L CB 1.120 43.283 42.059 0.174 0.000 1.220 202 L HN 0.759 nan 8.230 nan 0.000 0.429 203 H N 0.973 120.155 119.070 0.187 0.000 3.042 203 H HA 0.189 4.746 4.556 0.002 0.000 0.346 203 H C -1.560 173.869 175.328 0.168 0.000 1.294 203 H CA -1.003 55.184 56.048 0.231 0.000 1.141 203 H CB 1.690 31.617 29.762 0.276 0.000 1.872 203 H HN 0.607 nan 8.280 nan 0.000 0.541 204 Q N 1.644 121.633 119.800 0.314 0.000 2.289 204 Q HA -0.015 4.326 4.340 0.002 0.000 0.273 204 Q C -0.516 175.659 176.000 0.290 0.000 1.029 204 Q CA -0.231 55.712 55.803 0.233 0.000 0.896 204 Q CB 0.297 29.151 28.738 0.194 0.000 1.182 204 Q HN 0.589 nan 8.270 nan 0.000 0.385 205 H N 5.666 124.801 119.070 0.108 0.000 3.145 205 H HA -0.037 4.521 4.556 0.002 0.000 0.288 205 H C 0.053 175.402 175.328 0.036 0.000 0.969 205 H CA 0.498 56.585 56.048 0.064 0.000 1.444 205 H CB 0.093 29.845 29.762 -0.015 0.000 1.500 205 H HN 0.762 nan 8.280 nan 0.000 0.552 206 L N 3.761 124.803 121.223 -0.302 0.000 4.351 206 L HA -0.298 4.043 4.340 0.002 0.000 0.410 206 L C 1.903 178.724 176.870 -0.082 0.000 1.150 206 L CA 1.195 55.830 54.840 -0.342 0.000 0.961 206 L CB -2.331 39.396 42.059 -0.553 0.000 2.130 206 L HN 0.769 nan 8.230 nan 0.000 0.787 207 C N -0.802 118.540 119.300 0.070 0.000 2.587 207 C HA 0.223 4.684 4.460 0.002 0.000 0.282 207 C C 1.087 176.257 174.990 0.301 0.000 1.277 207 C CA 0.997 60.141 59.018 0.211 0.000 1.702 207 C CB -0.077 27.845 27.740 0.304 0.000 2.113 207 C HN 0.517 nan 8.230 nan 0.000 0.490 208 F N 0.733 120.789 119.950 0.176 0.000 2.622 208 F HA 0.561 5.089 4.527 0.002 0.000 0.318 208 F C -2.791 173.001 175.800 -0.014 0.000 1.135 208 F CA -1.961 56.026 58.000 -0.020 0.000 1.015 208 F CB 0.982 39.832 39.000 -0.250 0.000 1.275 208 F HN 0.008 nan 8.300 nan 0.000 0.457 209 P HA 0.310 nan 4.420 nan 0.000 0.274 209 P C -2.736 174.237 177.300 -0.544 0.000 1.256 209 P CA -1.137 61.131 63.100 -1.387 0.000 0.795 209 P CB 0.128 31.192 31.700 -1.059 0.000 1.038 210 P HA 0.063 nan 4.420 nan 0.000 0.271 210 P C -0.333 176.872 177.300 -0.158 0.000 1.218 210 P CA 0.519 63.502 63.100 -0.195 0.000 0.780 210 P CB -0.039 31.590 31.700 -0.119 0.000 0.901 211 D N -0.580 119.762 120.400 -0.095 0.000 2.723 211 D HA -0.169 4.472 4.640 0.002 0.000 0.236 211 D C -0.884 175.458 176.300 0.070 0.000 1.138 211 D CA 1.198 55.230 54.000 0.052 0.000 0.676 211 D CB -1.327 39.507 40.800 0.057 0.000 1.069 211 D HN 0.263 nan 8.370 nan 0.000 0.430 212 S N -1.376 114.250 115.700 -0.124 0.000 2.541 212 S HA 0.635 5.106 4.470 0.002 0.000 0.271 212 S C 0.658 174.988 174.600 -0.451 0.000 1.133 212 S CA 0.480 58.596 58.200 -0.140 0.000 0.876 212 S CB 1.616 64.763 63.200 -0.090 0.000 1.105 212 S HN 1.115 nan 8.310 nan 0.000 0.470 213 G N 1.887 110.287 108.800 -0.667 0.000 2.132 213 G HA2 -0.212 3.749 3.960 0.002 0.000 0.228 213 G HA3 -0.212 3.749 3.960 0.002 0.000 0.228 213 G C -0.308 174.468 174.900 -0.206 0.000 1.000 213 G CA 0.144 44.643 45.100 -1.003 0.000 0.693 213 G HN 0.675 nan 8.290 nan 0.000 0.515 214 Y N 1.163 121.459 120.300 -0.005 0.000 2.480 214 Y HA 0.280 4.831 4.550 0.002 0.000 0.338 214 Y C 2.117 178.043 175.900 0.043 0.000 1.220 214 Y CA 0.562 58.697 58.100 0.057 0.000 1.430 214 Y CB 0.791 39.287 38.460 0.060 0.000 1.311 214 Y HN 0.303 nan 8.280 nan 0.000 0.575 215 S N -1.198 114.603 115.700 0.169 0.000 2.469 215 S HA -0.180 4.291 4.470 0.002 0.000 0.238 215 S C 1.562 176.217 174.600 0.093 0.000 0.998 215 S CA 1.127 59.382 58.200 0.092 0.000 0.957 215 S CB -0.985 62.233 63.200 0.030 0.000 0.764 215 S HN 0.872 nan 8.310 nan 0.000 0.514 216 T N -0.490 114.144 114.554 0.133 0.000 3.113 216 T HA 0.084 4.435 4.350 0.002 0.000 0.263 216 T C 0.291 175.088 174.700 0.162 0.000 1.143 216 T CA 0.210 62.376 62.100 0.110 0.000 1.090 216 T CB -0.577 68.338 68.868 0.078 0.000 0.922 216 T HN 0.544 nan 8.240 nan 0.000 0.521 217 E N 1.412 121.750 120.200 0.231 0.000 2.003 217 E HA 0.309 4.661 4.350 0.002 0.000 0.279 217 E C 0.522 177.263 176.600 0.235 0.000 1.132 217 E CA -0.230 56.401 56.400 0.386 0.000 0.888 217 E CB 0.548 30.504 29.700 0.427 0.000 1.056 217 E HN 0.385 nan 8.360 nan 0.000 0.399 218 R N 2.393 122.885 120.500 -0.013 0.000 2.572 218 R HA 0.228 4.569 4.340 0.002 0.000 0.370 218 R C 0.392 176.299 176.300 -0.655 0.000 1.005 218 R CA -0.008 55.904 56.100 -0.314 0.000 1.146 218 R CB 1.184 31.251 30.300 -0.389 0.000 1.390 218 R HN 0.691 nan 8.270 nan 0.000 0.553 219 G N 1.004 109.003 108.800 -1.334 0.000 2.757 219 G HA2 0.035 3.997 3.960 0.002 0.000 0.638 219 G HA3 0.035 3.997 3.960 0.002 0.000 0.638 219 G C -1.013 173.152 174.900 -1.225 0.000 1.344 219 G CA -0.525 43.605 45.100 -1.616 0.000 0.855 219 G HN 0.391 nan 8.290 nan 0.000 0.537 220 A N -0.931 121.380 122.820 -0.848 0.000 2.572 220 A HA 1.180 5.501 4.320 0.002 0.000 0.295 220 A C 1.312 178.842 177.584 -0.090 0.000 1.072 220 A CA 1.354 53.216 52.037 -0.292 0.000 0.691 220 A CB 1.050 19.971 19.000 -0.132 0.000 1.291 220 A HN 3.084 nan 8.150 nan 0.000 0.404 221 G N 1.410 110.206 108.800 -0.007 0.000 2.583 221 G HA2 -0.380 3.581 3.960 0.002 0.000 0.292 221 G HA3 -0.380 3.581 3.960 0.002 0.000 0.292 221 G C 0.833 175.760 174.900 0.046 0.000 1.203 221 G CA 1.051 46.160 45.100 0.015 0.000 0.987 221 G HN 1.105 nan 8.290 nan 0.000 0.554 222 N N 1.137 119.862 118.700 0.042 0.000 2.364 222 N HA 0.048 4.789 4.740 0.002 0.000 0.183 222 N C 2.145 177.711 175.510 0.094 0.000 1.022 222 N CA 1.121 54.206 53.050 0.057 0.000 0.883 222 N CB -0.245 38.257 38.487 0.025 0.000 0.965 222 N HN 0.737 nan 8.380 nan 0.000 0.438 223 G N -0.938 107.905 108.800 0.071 0.000 2.985 223 G HA2 -0.111 3.850 3.960 0.002 0.000 0.209 223 G HA3 -0.111 3.850 3.960 0.002 0.000 0.209 223 G C 0.002 174.968 174.900 0.110 0.000 1.165 223 G CA -0.210 44.953 45.100 0.106 0.000 0.776 223 G HN 0.373 nan 8.290 nan 0.000 0.541 224 H N -0.088 118.967 119.070 -0.026 0.000 3.004 224 H HA 0.379 4.936 4.556 0.002 0.000 0.316 224 H C 1.473 176.743 175.328 -0.097 0.000 1.014 224 H CA 1.317 57.291 56.048 -0.123 0.000 1.454 224 H CB 0.411 30.109 29.762 -0.106 0.000 1.472 224 H HN 0.182 nan 8.280 nan 0.000 0.571 225 G N 3.539 111.949 108.800 -0.649 0.000 2.213 225 G HA2 -0.280 3.681 3.960 0.002 0.000 0.226 225 G HA3 -0.280 3.681 3.960 0.002 0.000 0.226 225 G C 0.225 174.667 174.900 -0.764 0.000 0.992 225 G CA 0.300 45.003 45.100 -0.661 0.000 0.632 225 G HN 0.625 nan 8.290 nan 0.000 0.511 226 Y N 1.257 121.435 120.300 -0.203 0.000 2.636 226 Y HA 0.428 4.979 4.550 0.002 0.000 0.260 226 Y C 0.868 176.672 175.900 -0.159 0.000 1.177 226 Y CA -0.389 57.604 58.100 -0.179 0.000 1.209 226 Y CB 0.538 38.923 38.460 -0.125 0.000 1.166 226 Y HN 0.276 nan 8.280 nan 0.000 0.531 227 N N 1.108 119.756 118.700 -0.086 0.000 2.314 227 N HA 0.485 5.226 4.740 0.002 0.000 0.294 227 N C -1.637 173.855 175.510 -0.031 0.000 1.029 227 N CA -0.297 52.752 53.050 -0.002 0.000 0.845 227 N CB 1.292 39.833 38.487 0.090 0.000 1.321 227 N HN 0.098 nan 8.380 nan 0.000 0.481 228 I N 2.476 123.058 120.570 0.021 0.000 2.468 228 I HA 0.259 4.431 4.170 0.002 0.000 0.284 228 I C -0.749 175.426 176.117 0.096 0.000 1.038 228 I CA -0.598 60.712 61.300 0.016 0.000 1.083 228 I CB 1.565 39.545 38.000 -0.033 0.000 1.223 228 I HN 0.404 nan 8.210 nan 0.000 0.443 229 N N 5.035 123.803 118.700 0.115 0.000 2.430 229 N HA 0.515 5.256 4.740 0.002 0.000 0.292 229 N C -0.932 174.580 175.510 0.003 0.000 1.051 229 N CA -0.631 52.518 53.050 0.166 0.000 0.917 229 N CB 2.307 40.940 38.487 0.242 0.000 1.164 229 N HN 0.187 nan 8.380 nan 0.000 0.484 230 V N 3.000 122.841 119.914 -0.121 0.000 2.235 230 V HA 0.315 4.436 4.120 0.002 0.000 0.266 230 V C -2.224 173.589 176.094 -0.468 0.000 1.055 230 V CA -1.639 60.529 62.300 -0.220 0.000 0.844 230 V CB 0.202 31.936 31.823 -0.148 0.000 1.097 230 V HN 0.601 nan 8.190 nan 0.000 0.453 231 P HA 0.414 nan 4.420 nan 0.000 0.275 231 P C -0.726 176.427 177.300 -0.245 0.000 1.227 231 P CA -0.004 62.855 63.100 -0.401 0.000 0.781 231 P CB 1.504 33.094 31.700 -0.184 0.000 0.906 232 L N 3.918 125.053 121.223 -0.147 0.000 2.354 232 L HA 0.558 4.900 4.340 0.002 0.000 0.264 232 L C -2.323 174.545 176.870 -0.003 0.000 1.008 232 L CA -2.752 52.016 54.840 -0.119 0.000 0.819 232 L CB 2.616 44.543 42.059 -0.219 0.000 1.339 232 L HN 0.177 nan 8.230 nan 0.000 0.420 233 P HA 0.247 nan 4.420 nan 0.000 0.274 233 P C -2.677 174.662 177.300 0.064 0.000 1.231 233 P CA -1.748 61.380 63.100 0.047 0.000 0.790 233 P CB -0.102 31.612 31.700 0.023 0.000 0.951 234 P HA -0.007 nan 4.420 nan 0.000 0.266 234 P C 1.110 178.448 177.300 0.063 0.000 1.186 234 P CA 1.496 64.644 63.100 0.080 0.000 0.767 234 P CB -0.196 31.548 31.700 0.073 0.000 0.820 235 G N 1.002 109.842 108.800 0.067 0.000 2.179 235 G HA2 -0.243 3.718 3.960 0.002 0.000 0.260 235 G HA3 -0.243 3.718 3.960 0.002 0.000 0.260 235 G C 0.308 175.239 174.900 0.052 0.000 0.977 235 G CA 0.043 45.173 45.100 0.049 0.000 0.641 235 G HN 0.589 nan 8.290 nan 0.000 0.533 236 S N 0.654 116.402 115.700 0.080 0.000 2.549 236 S HA 0.581 5.052 4.470 0.002 0.000 0.279 236 S C 1.003 175.694 174.600 0.153 0.000 1.321 236 S CA 0.407 58.662 58.200 0.092 0.000 1.054 236 S CB 1.476 64.718 63.200 0.070 0.000 0.899 236 S HN 1.197 nan 8.310 nan 0.000 0.497 237 G N 1.997 110.864 108.800 0.112 0.000 3.211 237 G HA2 0.250 4.211 3.960 0.002 0.000 0.167 237 G HA3 0.250 4.211 3.960 0.002 0.000 0.167 237 G C 0.522 175.471 174.900 0.081 0.000 1.212 237 G CA -0.512 44.626 45.100 0.064 0.000 0.928 237 G HN 0.535 nan 8.290 nan 0.000 0.607 238 N N 0.417 119.104 118.700 -0.022 0.000 2.120 238 N HA -0.116 4.625 4.740 0.002 0.000 0.188 238 N C 2.354 177.881 175.510 0.028 0.000 1.024 238 N CA 1.495 54.523 53.050 -0.037 0.000 0.852 238 N CB -0.578 37.866 38.487 -0.070 0.000 1.003 238 N HN 0.460 nan 8.380 nan 0.000 0.424 239 A N 0.984 123.816 122.820 0.021 0.000 1.883 239 A HA -0.017 4.304 4.320 0.002 0.000 0.217 239 A C 2.373 179.986 177.584 0.048 0.000 1.186 239 A CA 2.172 54.223 52.037 0.023 0.000 0.624 239 A CB -0.992 18.003 19.000 -0.009 0.000 0.822 239 A HN 0.329 nan 8.150 nan 0.000 0.444 240 A N -1.737 121.105 122.820 0.038 0.000 1.898 240 A HA -0.059 4.262 4.320 0.002 0.000 0.216 240 A C 2.112 179.688 177.584 -0.013 0.000 1.181 240 A CA 1.544 53.584 52.037 0.006 0.000 0.620 240 A CB -0.806 18.165 19.000 -0.049 0.000 0.819 240 A HN 0.579 nan 8.150 nan 0.000 0.442 241 Y N 0.027 120.308 120.300 -0.031 0.000 2.181 241 Y HA -0.125 4.426 4.550 0.002 0.000 0.288 241 Y C 2.206 178.091 175.900 -0.025 0.000 1.146 241 Y CA 1.702 59.772 58.100 -0.050 0.000 1.164 241 Y CB -0.254 38.120 38.460 -0.143 0.000 0.982 241 Y HN 0.186 nan 8.280 nan 0.000 0.515 242 L N -1.529 119.767 121.223 0.122 0.000 2.156 242 L HA -0.211 4.131 4.340 0.002 0.000 0.208 242 L C 2.226 179.146 176.870 0.084 0.000 1.095 242 L CA 1.294 56.184 54.840 0.083 0.000 0.770 242 L CB -0.531 41.564 42.059 0.059 0.000 0.914 242 L HN 0.258 nan 8.230 nan 0.000 0.439 243 H N 0.197 119.266 119.070 -0.002 0.000 2.353 243 H HA -0.111 4.446 4.556 0.002 0.000 0.300 243 H C 2.180 177.493 175.328 -0.024 0.000 1.090 243 H CA 1.457 57.496 56.048 -0.016 0.000 1.327 243 H CB 0.137 29.881 29.762 -0.029 0.000 1.383 243 H HN 0.272 nan 8.280 nan 0.000 0.508 244 A N 0.563 123.377 122.820 -0.009 0.000 1.902 244 A HA -0.190 4.131 4.320 0.002 0.000 0.217 244 A C 2.307 179.867 177.584 -0.041 0.000 1.181 244 A CA 1.835 53.832 52.037 -0.067 0.000 0.623 244 A CB -0.485 18.447 19.000 -0.114 0.000 0.818 244 A HN 0.384 nan 8.150 nan 0.000 0.443 245 M N -0.005 119.604 119.600 0.015 0.000 2.080 245 M HA -0.147 4.334 4.480 0.002 0.000 0.260 245 M C 1.487 177.788 176.300 0.002 0.000 1.068 245 M CA 1.635 56.966 55.300 0.052 0.000 1.109 245 M CB -1.539 31.119 32.600 0.097 0.000 1.342 245 M HN 0.352 nan 8.290 nan 0.000 0.405 246 D N -0.309 120.065 120.400 -0.045 0.000 2.123 246 D HA -0.100 4.541 4.640 0.002 0.000 0.200 246 D C 2.255 178.480 176.300 -0.125 0.000 0.976 246 D CA 0.951 54.909 54.000 -0.071 0.000 0.831 246 D CB -0.097 40.658 40.800 -0.074 0.000 0.974 246 D HN 0.358 nan 8.370 nan 0.000 0.469 247 Q N -0.174 119.491 119.800 -0.225 0.000 2.302 247 Q HA 0.064 4.405 4.340 0.002 0.000 0.202 247 Q C 1.956 177.885 176.000 -0.120 0.000 0.936 247 Q CA 0.444 56.115 55.803 -0.220 0.000 0.886 247 Q CB 0.868 29.384 28.738 -0.369 0.000 0.986 247 Q HN 0.210 nan 8.270 nan 0.000 0.487 248 V N -1.128 118.730 119.914 -0.092 0.000 3.054 248 V HA -0.013 4.108 4.120 0.002 0.000 0.227 248 V C 2.080 178.159 176.094 -0.023 0.000 1.252 248 V CA 0.433 62.700 62.300 -0.054 0.000 1.279 248 V CB 0.009 31.799 31.823 -0.055 0.000 1.118 248 V HN -0.083 nan 8.190 nan 0.000 0.504 249 V N 0.394 120.307 119.914 -0.001 0.000 2.270 249 V HA -0.179 3.942 4.120 0.002 0.000 0.245 249 V C 2.414 178.528 176.094 0.033 0.000 1.043 249 V CA 1.685 64.003 62.300 0.031 0.000 1.014 249 V CB -0.556 31.317 31.823 0.083 0.000 0.645 249 V HN 0.336 nan 8.190 nan 0.000 0.447 250 L N -0.087 121.157 121.223 0.036 0.000 2.017 250 L HA -0.044 4.297 4.340 0.002 0.000 0.208 250 L C 0.131 177.017 176.870 0.027 0.000 1.073 250 L CA 2.215 57.079 54.840 0.039 0.000 0.745 250 L CB -2.511 39.574 42.059 0.042 0.000 0.894 250 L HN 0.308 nan 8.230 nan 0.000 0.432 251 P HA -0.129 nan 4.420 nan 0.000 0.218 251 P C 1.558 178.869 177.300 0.017 0.000 1.148 251 P CA 1.702 64.807 63.100 0.008 0.000 0.822 251 P CB -0.001 31.692 31.700 -0.011 0.000 0.784 252 A N -0.552 122.275 122.820 0.012 0.000 1.877 252 A HA -0.157 4.165 4.320 0.002 0.000 0.216 252 A C 2.186 179.807 177.584 0.061 0.000 1.186 252 A CA 1.399 53.445 52.037 0.015 0.000 0.620 252 A CB -1.600 17.390 19.000 -0.017 0.000 0.822 252 A HN 0.109 nan 8.150 nan 0.000 0.443 253 L N -1.050 120.208 121.223 0.059 0.000 2.017 253 L HA -0.190 4.152 4.340 0.002 0.000 0.208 253 L C 2.856 179.791 176.870 0.109 0.000 1.073 253 L CA 1.499 56.396 54.840 0.094 0.000 0.745 253 L CB -0.548 41.548 42.059 0.061 0.000 0.894 253 L HN 0.338 nan 8.230 nan 0.000 0.432 254 R N -0.022 120.520 120.500 0.070 0.000 2.096 254 R HA -0.139 4.202 4.340 0.002 0.000 0.235 254 R C 2.343 178.679 176.300 0.060 0.000 1.127 254 R CA 1.355 57.488 56.100 0.055 0.000 0.968 254 R CB -0.429 29.893 30.300 0.037 0.000 0.861 254 R HN 0.381 nan 8.270 nan 0.000 0.440 255 A N -0.149 122.717 122.820 0.077 0.000 1.970 255 A HA -0.151 4.170 4.320 0.002 0.000 0.216 255 A C 1.833 179.502 177.584 0.141 0.000 1.170 255 A CA 0.737 52.824 52.037 0.084 0.000 0.645 255 A CB -0.390 18.651 19.000 0.067 0.000 0.816 255 A HN 0.385 nan 8.150 nan 0.000 0.447 256 Y N -0.267 120.054 120.300 0.035 0.000 2.365 256 Y HA 0.074 4.625 4.550 0.002 0.000 0.293 256 Y C 0.392 176.306 175.900 0.023 0.000 1.119 256 Y CA 0.860 58.996 58.100 0.060 0.000 1.203 256 Y CB 0.336 38.839 38.460 0.070 0.000 1.026 256 Y HN 0.322 nan 8.280 nan 0.000 0.549 257 R N 0.126 120.635 120.500 0.014 0.000 3.152 257 R HA -0.143 4.199 4.340 0.002 0.000 0.252 257 R C -2.805 173.405 176.300 -0.150 0.000 0.930 257 R CA 0.625 56.681 56.100 -0.073 0.000 0.642 257 R CB -2.597 27.640 30.300 -0.106 0.000 1.205 257 R HN 0.353 nan 8.270 nan 0.000 0.452 258 P HA 0.081 nan 4.420 nan 0.000 0.274 258 P C 0.414 177.694 177.300 -0.034 0.000 1.237 258 P CA -0.208 62.897 63.100 0.008 0.000 0.793 258 P CB 0.740 32.543 31.700 0.173 0.000 0.977 259 Q N 0.026 119.795 119.800 -0.051 0.000 2.297 259 Q HA 0.120 4.462 4.340 0.002 0.000 0.204 259 Q C 0.309 176.294 176.000 -0.025 0.000 0.962 259 Q CA 1.105 56.883 55.803 -0.042 0.000 0.879 259 Q CB -0.233 28.474 28.738 -0.052 0.000 0.947 259 Q HN 0.374 nan 8.270 nan 0.000 0.462 260 L N -0.724 120.484 121.223 -0.024 0.000 2.513 260 L HA 0.496 4.837 4.340 0.002 0.000 0.261 260 L C -1.740 175.101 176.870 -0.048 0.000 0.945 260 L CA -0.548 54.273 54.840 -0.031 0.000 0.848 260 L CB 1.643 43.681 42.059 -0.034 0.000 1.334 260 L HN -0.081 nan 8.230 nan 0.000 0.407 261 I N 5.522 126.049 120.570 -0.072 0.000 2.354 261 I HA 0.464 4.635 4.170 0.002 0.000 0.292 261 I C -0.537 175.460 176.117 -0.200 0.000 0.989 261 I CA -0.419 60.807 61.300 -0.124 0.000 1.188 261 I CB 1.559 39.486 38.000 -0.122 0.000 1.342 261 I HN 0.483 nan 8.210 nan 0.000 0.457 262 I N 6.684 127.118 120.570 -0.227 0.000 2.354 262 I HA 0.352 4.524 4.170 0.002 0.000 0.292 262 I C -0.532 175.345 176.117 -0.399 0.000 0.989 262 I CA -0.852 60.278 61.300 -0.283 0.000 1.188 262 I CB 1.853 39.736 38.000 -0.195 0.000 1.342 262 I HN 0.181 nan 8.210 nan 0.000 0.457 263 V N 5.046 124.598 119.914 -0.604 0.000 2.370 263 V HA 0.379 4.500 4.120 0.002 0.000 0.283 263 V C 0.753 176.482 176.094 -0.609 0.000 1.023 263 V CA -0.640 61.194 62.300 -0.777 0.000 0.857 263 V CB 1.422 32.423 31.823 -1.370 0.000 0.985 263 V HN 0.920 nan 8.190 nan 0.000 0.443 264 G N 2.517 111.015 108.800 -0.504 0.000 2.508 264 G HA2 0.251 4.212 3.960 0.002 0.000 0.301 264 G HA3 0.251 4.212 3.960 0.002 0.000 0.301 264 G C 0.296 174.870 174.900 -0.543 0.000 0.965 264 G CA -0.038 44.816 45.100 -0.410 0.000 1.339 264 G HN 0.648 nan 8.290 nan 0.000 0.455 265 S N 2.369 117.783 115.700 -0.476 0.000 2.835 265 S HA 0.547 5.018 4.470 0.002 0.000 0.286 265 S C 0.926 175.254 174.600 -0.454 0.000 1.194 265 S CA -0.345 57.586 58.200 -0.449 0.000 1.031 265 S CB -0.284 62.865 63.200 -0.085 0.000 1.216 265 S HN 0.740 nan 8.310 nan 0.000 0.502 266 G N 2.034 110.624 108.800 -0.351 0.000 2.451 266 G HA2 0.577 4.538 3.960 0.002 0.000 0.303 266 G HA3 0.577 4.538 3.960 0.002 0.000 0.303 266 G C -0.324 174.216 174.900 -0.599 0.000 1.166 266 G CA -0.659 44.228 45.100 -0.354 0.000 0.884 266 G HN 0.689 nan 8.290 nan 0.000 0.514 267 F N -0.315 119.586 119.950 -0.082 0.000 2.698 267 F HA 0.161 4.689 4.527 0.002 0.000 0.304 267 F C 1.236 177.034 175.800 -0.003 0.000 1.108 267 F CA -0.579 57.229 58.000 -0.321 0.000 1.263 267 F CB 0.951 39.575 39.000 -0.627 0.000 1.013 267 F HN 0.433 nan 8.300 nan 0.000 0.532 268 D N 0.354 120.876 120.400 0.205 0.000 2.378 268 D HA -0.069 4.572 4.640 0.002 0.000 0.227 268 D C 1.738 178.194 176.300 0.260 0.000 1.012 268 D CA 0.535 54.710 54.000 0.292 0.000 0.905 268 D CB -0.301 40.764 40.800 0.441 0.000 0.895 268 D HN 0.234 nan 8.370 nan 0.000 0.532 269 A N 0.380 123.371 122.820 0.284 0.000 2.238 269 A HA 0.150 4.471 4.320 0.002 0.000 0.208 269 A C 1.241 178.919 177.584 0.157 0.000 1.177 269 A CA 0.063 52.198 52.037 0.163 0.000 0.804 269 A CB -0.520 18.430 19.000 -0.082 0.000 0.823 269 A HN 0.283 nan 8.150 nan 0.000 0.482 270 S N -1.358 114.547 115.700 0.342 0.000 2.585 270 S HA 0.239 4.710 4.470 0.002 0.000 0.273 270 S C 1.029 175.757 174.600 0.214 0.000 1.339 270 S CA 0.221 58.627 58.200 0.343 0.000 1.028 270 S CB 0.460 63.937 63.200 0.461 0.000 0.906 270 S HN 0.344 nan 8.310 nan 0.000 0.528 271 M N 2.256 121.954 119.600 0.163 0.000 2.255 271 M HA 0.004 4.485 4.480 0.002 0.000 0.259 271 M C 0.797 177.123 176.300 0.043 0.000 1.071 271 M CA 1.805 57.130 55.300 0.042 0.000 1.074 271 M CB -0.629 31.927 32.600 -0.073 0.000 1.384 271 M HN 0.776 nan 8.290 nan 0.000 0.415 272 L N -1.162 120.132 121.223 0.119 0.000 3.014 272 L HA 0.277 4.618 4.340 0.002 0.000 0.263 272 L C 0.096 177.079 176.870 0.189 0.000 1.207 272 L CA -0.461 54.446 54.840 0.112 0.000 1.017 272 L CB -0.205 41.888 42.059 0.056 0.000 1.360 272 L HN 0.054 nan 8.230 nan 0.000 0.560 273 D N 2.058 122.587 120.400 0.215 0.000 2.308 273 D HA 0.132 4.773 4.640 0.002 0.000 0.251 273 D C -1.423 175.014 176.300 0.229 0.000 1.127 273 D CA -1.383 52.774 54.000 0.262 0.000 0.876 273 D CB 2.293 43.276 40.800 0.304 0.000 1.176 273 D HN -0.032 nan 8.370 nan 0.000 0.446 274 P HA -0.038 nan 4.420 nan 0.000 0.221 274 P C 1.303 178.697 177.300 0.157 0.000 1.150 274 P CA 0.528 63.730 63.100 0.171 0.000 0.800 274 P CB 0.503 32.294 31.700 0.151 0.000 0.787 275 L N -1.674 119.675 121.223 0.211 0.000 2.653 275 L HA 0.424 4.765 4.340 0.002 0.000 0.231 275 L C 0.893 177.941 176.870 0.297 0.000 1.153 275 L CA -0.273 54.692 54.840 0.208 0.000 0.933 275 L CB -0.036 42.086 42.059 0.106 0.000 1.175 275 L HN -0.041 nan 8.230 nan 0.000 0.473 276 A N -0.453 122.500 122.820 0.221 0.000 2.581 276 A HA 0.670 4.992 4.320 0.002 0.000 0.290 276 A C -0.484 177.187 177.584 0.144 0.000 1.119 276 A CA -0.666 51.474 52.037 0.171 0.000 0.670 276 A CB 1.079 20.147 19.000 0.114 0.000 1.280 276 A HN 0.064 nan 8.150 nan 0.000 0.425 277 R N 0.113 120.689 120.500 0.126 0.000 2.700 277 R HA 0.288 4.629 4.340 0.002 0.000 0.377 277 R C -0.468 175.891 176.300 0.099 0.000 1.130 277 R CA -0.189 55.973 56.100 0.102 0.000 1.055 277 R CB 0.126 30.479 30.300 0.087 0.000 1.387 277 R HN 0.650 nan 8.270 nan 0.000 0.580 278 M N 0.128 119.797 119.600 0.115 0.000 2.371 278 M HA 0.422 4.904 4.480 0.002 0.000 0.301 278 M C 0.979 177.316 176.300 0.062 0.000 1.173 278 M CA -0.278 55.091 55.300 0.115 0.000 1.020 278 M CB 0.883 33.584 32.600 0.170 0.000 1.490 278 M HN -0.030 nan 8.290 nan 0.000 0.485 279 M N 0.499 120.113 119.600 0.025 0.000 2.705 279 M HA 0.223 4.705 4.480 0.002 0.000 0.387 279 M C -0.586 175.663 176.300 -0.086 0.000 1.204 279 M CA -0.197 55.090 55.300 -0.021 0.000 0.905 279 M CB 0.448 33.036 32.600 -0.021 0.000 1.394 279 M HN 0.225 nan 8.290 nan 0.000 0.515 280 V N 1.748 121.551 119.914 -0.185 0.000 2.655 280 V HA 0.148 4.269 4.120 0.002 0.000 0.300 280 V C 0.933 176.918 176.094 -0.183 0.000 1.044 280 V CA 0.058 62.121 62.300 -0.396 0.000 1.095 280 V CB 0.668 31.888 31.823 -1.004 0.000 0.952 280 V HN 0.549 nan 8.190 nan 0.000 0.485 281 T N 1.619 116.085 114.554 -0.147 0.000 2.937 281 T HA 0.649 5.000 4.350 0.002 0.000 0.283 281 T C 1.214 175.979 174.700 0.108 0.000 1.012 281 T CA -0.125 62.048 62.100 0.122 0.000 0.997 281 T CB 1.790 70.713 68.868 0.092 0.000 1.136 281 T HN 0.722 nan 8.240 nan 0.000 0.551 282 A N 0.303 123.248 122.820 0.207 0.000 1.940 282 A HA -0.105 4.217 4.320 0.002 0.000 0.219 282 A C 1.954 179.596 177.584 0.097 0.000 1.176 282 A CA 2.276 54.373 52.037 0.100 0.000 0.631 282 A CB -1.418 17.586 19.000 0.007 0.000 0.814 282 A HN 1.005 nan 8.150 nan 0.000 0.446 283 D N -0.772 119.688 120.400 0.099 0.000 2.144 283 D HA -0.047 4.594 4.640 0.002 0.000 0.199 283 D C 1.966 178.262 176.300 -0.007 0.000 0.984 283 D CA 1.626 55.662 54.000 0.061 0.000 0.834 283 D CB -0.400 40.464 40.800 0.107 0.000 0.955 283 D HN 0.317 nan 8.370 nan 0.000 0.465 284 G N -0.791 107.952 108.800 -0.095 0.000 2.433 284 G HA2 -0.247 3.714 3.960 0.002 0.000 0.216 284 G HA3 -0.247 3.714 3.960 0.002 0.000 0.216 284 G C 1.360 176.087 174.900 -0.288 0.000 1.186 284 G CA 0.530 45.489 45.100 -0.234 0.000 0.779 284 G HN 0.263 nan 8.290 nan 0.000 0.543 285 F N 0.781 120.621 119.950 -0.182 0.000 2.216 285 F HA 0.069 4.597 4.527 0.002 0.000 0.300 285 F C 2.661 178.393 175.800 -0.113 0.000 1.085 285 F CA 1.188 59.048 58.000 -0.233 0.000 1.326 285 F CB -0.313 38.618 39.000 -0.115 0.000 1.027 285 F HN 0.036 nan 8.300 nan 0.000 0.497 286 R N 0.487 121.051 120.500 0.106 0.000 2.073 286 R HA -0.198 4.143 4.340 0.002 0.000 0.234 286 R C 2.099 178.446 176.300 0.078 0.000 1.134 286 R CA 1.871 58.020 56.100 0.082 0.000 0.952 286 R CB -0.289 30.040 30.300 0.048 0.000 0.850 286 R HN 0.345 nan 8.270 nan 0.000 0.433 287 Q N -0.260 119.561 119.800 0.035 0.000 2.079 287 Q HA -0.131 4.210 4.340 0.002 0.000 0.200 287 Q C 2.256 178.293 176.000 0.061 0.000 0.974 287 Q CA 1.820 57.648 55.803 0.040 0.000 0.840 287 Q CB -0.052 28.694 28.738 0.013 0.000 0.898 287 Q HN 0.385 nan 8.270 nan 0.000 0.430 288 M N 0.248 119.845 119.600 -0.005 0.000 2.080 288 M HA -0.213 4.268 4.480 0.002 0.000 0.260 288 M C 2.394 178.855 176.300 0.268 0.000 1.068 288 M CA 1.686 56.987 55.300 0.001 0.000 1.109 288 M CB -0.409 31.943 32.600 -0.414 0.000 1.342 288 M HN 0.256 nan 8.290 nan 0.000 0.405 289 A N 0.256 123.280 122.820 0.340 0.000 1.877 289 A HA -0.221 4.101 4.320 0.002 0.000 0.216 289 A C 2.097 179.926 177.584 0.408 0.000 1.186 289 A CA 2.144 54.542 52.037 0.602 0.000 0.620 289 A CB -0.680 18.588 19.000 0.447 0.000 0.822 289 A HN 0.400 nan 8.150 nan 0.000 0.443 290 R N -0.117 120.530 120.500 0.245 0.000 2.083 290 R HA -0.112 4.229 4.340 0.002 0.000 0.237 290 R C 2.256 178.665 176.300 0.181 0.000 1.137 290 R CA 2.076 58.284 56.100 0.180 0.000 0.951 290 R CB -0.481 29.890 30.300 0.117 0.000 0.851 290 R HN 0.544 nan 8.270 nan 0.000 0.434 291 R N -1.100 119.509 120.500 0.181 0.000 2.081 291 R HA -0.057 4.284 4.340 0.002 0.000 0.235 291 R C 2.145 178.555 176.300 0.184 0.000 1.131 291 R CA 2.092 58.287 56.100 0.158 0.000 0.960 291 R CB -0.326 30.059 30.300 0.143 0.000 0.856 291 R HN 0.311 nan 8.270 nan 0.000 0.436 292 T N 0.754 115.467 114.554 0.265 0.000 2.857 292 T HA -0.021 4.330 4.350 0.002 0.000 0.266 292 T C 1.852 176.670 174.700 0.197 0.000 1.048 292 T CA 0.979 63.221 62.100 0.237 0.000 1.139 292 T CB -0.072 68.984 68.868 0.313 0.000 0.874 292 T HN 0.119 nan 8.240 nan 0.000 0.455 293 I N 1.433 122.161 120.570 0.264 0.000 2.252 293 I HA -0.136 4.035 4.170 0.002 0.000 0.245 293 I C 2.237 178.443 176.117 0.148 0.000 1.102 293 I CA 1.103 62.539 61.300 0.226 0.000 1.385 293 I CB -0.324 37.836 38.000 0.267 0.000 1.064 293 I HN 0.073 nan 8.210 nan 0.000 0.414 294 D N 0.097 120.578 120.400 0.135 0.000 2.144 294 D HA -0.197 4.445 4.640 0.002 0.000 0.199 294 D C 2.207 178.556 176.300 0.083 0.000 0.984 294 D CA 1.058 55.117 54.000 0.098 0.000 0.834 294 D CB -0.572 40.282 40.800 0.090 0.000 0.955 294 D HN 0.377 nan 8.370 nan 0.000 0.465 295 C N 0.991 120.344 119.300 0.089 0.000 2.432 295 C HA -0.068 4.394 4.460 0.002 0.000 0.277 295 C C 2.891 177.917 174.990 0.059 0.000 1.249 295 C CA 1.416 60.477 59.018 0.070 0.000 1.725 295 C CB -1.090 26.694 27.740 0.074 0.000 2.028 295 C HN 0.352 nan 8.230 nan 0.000 0.477 296 A N 0.390 123.248 122.820 0.063 0.000 1.917 296 A HA -0.019 4.302 4.320 0.002 0.000 0.219 296 A C 2.469 180.083 177.584 0.049 0.000 1.182 296 A CA 2.563 54.629 52.037 0.049 0.000 0.633 296 A CB -1.196 17.837 19.000 0.055 0.000 0.819 296 A HN 0.894 nan 8.150 nan 0.000 0.448 297 A N -0.270 122.587 122.820 0.061 0.000 1.902 297 A HA -0.175 4.146 4.320 0.002 0.000 0.217 297 A C 1.788 179.396 177.584 0.041 0.000 1.181 297 A CA 1.891 53.959 52.037 0.053 0.000 0.623 297 A CB -0.541 18.495 19.000 0.059 0.000 0.818 297 A HN 0.466 nan 8.150 nan 0.000 0.443 298 D N -0.330 120.095 120.400 0.041 0.000 2.149 298 D HA -0.082 4.560 4.640 0.002 0.000 0.201 298 D C 1.824 178.139 176.300 0.026 0.000 0.972 298 D CA 1.746 55.766 54.000 0.033 0.000 0.835 298 D CB -0.132 40.689 40.800 0.035 0.000 0.966 298 D HN 0.745 nan 8.370 nan 0.000 0.476 299 I N -2.400 118.185 120.570 0.026 0.000 4.312 299 I HA 0.160 4.331 4.170 0.002 0.000 0.324 299 I C 0.893 177.016 176.117 0.010 0.000 1.298 299 I CA -0.051 61.260 61.300 0.018 0.000 1.231 299 I CB 0.610 38.623 38.000 0.022 0.000 1.152 299 I HN -0.008 nan 8.210 nan 0.000 0.421 300 C N -0.481 118.827 119.300 0.014 0.000 3.061 300 C HA 0.507 4.968 4.460 0.002 0.000 0.249 300 C C -0.016 174.981 174.990 0.013 0.000 2.060 300 C CA -0.729 58.292 59.018 0.006 0.000 1.649 300 C CB -1.068 26.673 27.740 0.001 0.000 3.268 300 C HN 0.513 nan 8.230 nan 0.000 0.457 301 D N 1.042 121.452 120.400 0.018 0.000 2.870 301 D HA -0.099 4.542 4.640 0.002 0.000 0.228 301 D C 1.468 177.788 176.300 0.034 0.000 1.147 301 D CA 2.379 56.393 54.000 0.023 0.000 0.757 301 D CB -1.555 39.255 40.800 0.018 0.000 1.091 301 D HN 1.687 nan 8.370 nan 0.000 0.429 302 G N -0.375 108.450 108.800 0.041 0.000 2.184 302 G HA2 -0.429 3.532 3.960 0.002 0.000 0.264 302 G HA3 -0.429 3.532 3.960 0.002 0.000 0.264 302 G C 0.331 175.266 174.900 0.058 0.000 0.975 302 G CA 0.336 45.471 45.100 0.058 0.000 0.642 302 G HN 0.528 nan 8.290 nan 0.000 0.536 303 R N 0.153 120.676 120.500 0.038 0.000 2.435 303 R HA 0.486 4.827 4.340 0.002 0.000 0.325 303 R C 0.044 176.352 176.300 0.013 0.000 1.149 303 R CA 0.279 56.397 56.100 0.030 0.000 0.995 303 R CB 0.149 30.459 30.300 0.016 0.000 1.008 303 R HN 0.493 nan 8.270 nan 0.000 0.470 304 I N 2.123 122.711 120.570 0.031 0.000 2.619 304 I HA 0.319 4.490 4.170 0.002 0.000 0.292 304 I C -1.261 174.863 176.117 0.011 0.000 1.100 304 I CA -1.030 60.258 61.300 -0.019 0.000 1.043 304 I CB 2.121 40.121 38.000 -0.000 0.000 1.239 304 I HN 0.138 nan 8.210 nan 0.000 0.420 305 V N 7.562 127.409 119.914 -0.111 0.000 2.443 305 V HA 0.421 4.543 4.120 0.002 0.000 0.293 305 V C -0.708 175.240 176.094 -0.243 0.000 1.021 305 V CA -0.457 61.805 62.300 -0.064 0.000 0.848 305 V CB 1.382 33.168 31.823 -0.062 0.000 0.998 305 V HN 0.449 nan 8.190 nan 0.000 0.424 306 F N 3.703 123.511 119.950 -0.237 0.000 2.394 306 F HA 0.629 5.157 4.527 0.002 0.000 0.340 306 F C 0.262 175.687 175.800 -0.625 0.000 1.105 306 F CA -0.561 57.148 58.000 -0.485 0.000 1.124 306 F CB 1.661 40.280 39.000 -0.635 0.000 1.145 306 F HN 0.181 nan 8.300 nan 0.000 0.505 307 V N 2.887 122.568 119.914 -0.387 0.000 2.483 307 V HA 0.277 4.399 4.120 0.002 0.000 0.297 307 V C -0.334 175.613 176.094 -0.245 0.000 1.027 307 V CA -1.111 61.011 62.300 -0.297 0.000 0.855 307 V CB 1.481 33.188 31.823 -0.194 0.000 0.995 307 V HN 0.607 nan 8.190 nan 0.000 0.424 308 Q N 3.874 123.617 119.800 -0.096 0.000 2.263 308 Q HA 0.109 4.450 4.340 0.002 0.000 0.289 308 Q C 0.269 176.236 176.000 -0.054 0.000 1.061 308 Q CA 1.019 56.861 55.803 0.065 0.000 0.927 308 Q CB 0.578 29.476 28.738 0.266 0.000 1.154 308 Q HN 0.744 nan 8.270 nan 0.000 0.378 309 E N 2.087 122.217 120.200 -0.116 0.000 3.834 309 E HA 0.460 4.812 4.350 0.002 0.000 0.318 309 E C 0.239 176.810 176.600 -0.049 0.000 0.680 309 E CA -0.034 56.274 56.400 -0.153 0.000 1.860 309 E CB -0.628 28.828 29.700 -0.407 0.000 2.061 309 E HN 0.696 nan 8.360 nan 0.000 0.447 310 G N -1.136 107.649 108.800 -0.025 0.000 2.543 310 G HA2 0.503 4.464 3.960 0.002 0.000 0.267 310 G HA3 0.503 4.464 3.960 0.002 0.000 0.267 310 G C -0.197 174.592 174.900 -0.185 0.000 1.406 310 G CA 0.034 45.141 45.100 0.011 0.000 1.048 310 G HN 0.564 nan 8.290 nan 0.000 0.548 311 G N -3.117 105.336 108.800 -0.578 0.000 2.801 311 G HA2 0.219 4.180 3.960 0.002 0.000 0.648 311 G HA3 0.219 4.180 3.960 0.002 0.000 0.648 311 G C -0.845 173.573 174.900 -0.804 0.000 1.415 311 G CA -0.348 44.527 45.100 -0.374 0.000 0.887 311 G HN 0.805 nan 8.290 nan 0.000 0.627 312 Y N 0.733 121.165 120.300 0.219 0.000 2.666 312 Y HA 0.475 5.027 4.550 0.003 0.000 0.260 312 Y C 1.404 177.403 175.900 0.164 0.000 1.089 312 Y CA -0.002 58.217 58.100 0.199 0.000 1.246 312 Y CB 1.170 39.763 38.460 0.221 0.000 1.353 312 Y HN 0.677 nan 8.280 nan 0.000 0.558 313 S N 4.138 119.972 115.700 0.222 0.000 2.400 313 S HA 0.181 4.652 4.470 0.002 0.000 0.295 313 S C -1.491 173.150 174.600 0.069 0.000 1.113 313 S CA -1.519 56.795 58.200 0.192 0.000 1.064 313 S CB 0.722 64.072 63.200 0.249 0.000 0.990 313 S HN 0.052 nan 8.310 nan 0.000 0.502 314 P HA -0.126 nan 4.420 nan 0.000 0.219 314 P C 0.946 178.155 177.300 -0.152 0.000 1.150 314 P CA 1.166 64.179 63.100 -0.145 0.000 0.814 314 P CB -0.061 31.489 31.700 -0.249 0.000 0.787 315 H N -1.728 117.418 119.070 0.127 0.000 2.299 315 H HA -0.116 4.441 4.556 0.002 0.000 0.302 315 H C 1.889 177.329 175.328 0.187 0.000 1.078 315 H CA 1.359 57.514 56.048 0.179 0.000 1.323 315 H CB -1.010 28.852 29.762 0.166 0.000 1.381 315 H HN 0.157 nan 8.280 nan 0.000 0.498 316 Y N 1.035 121.336 120.300 0.002 0.000 2.479 316 Y HA 0.087 4.639 4.550 0.002 0.000 0.283 316 Y C 2.515 178.366 175.900 -0.083 0.000 1.109 316 Y CA -0.147 57.874 58.100 -0.132 0.000 1.239 316 Y CB -0.364 37.946 38.460 -0.249 0.000 1.108 316 Y HN 0.024 nan 8.280 nan 0.000 0.548 317 L N 1.023 122.169 121.223 -0.128 0.000 2.043 317 L HA -0.152 4.190 4.340 0.002 0.000 0.212 317 L C -0.906 175.582 176.870 -0.637 0.000 1.075 317 L CA 1.810 56.433 54.840 -0.362 0.000 0.752 317 L CB -1.272 40.690 42.059 -0.163 0.000 0.891 317 L HN 0.038 nan 8.230 nan 0.000 0.432 318 P HA -0.182 nan 4.420 nan 0.000 0.216 318 P C 1.230 178.038 177.300 -0.821 0.000 1.153 318 P CA 1.709 64.440 63.100 -0.614 0.000 0.858 318 P CB -0.120 31.281 31.700 -0.498 0.000 0.789 319 F N -1.512 118.178 119.950 -0.433 0.000 2.325 319 F HA -0.123 4.405 4.527 0.002 0.000 0.299 319 F C 2.354 177.785 175.800 -0.616 0.000 1.090 319 F CA 0.736 58.499 58.000 -0.396 0.000 1.392 319 F CB -1.465 37.451 39.000 -0.141 0.000 1.053 319 F HN -0.018 nan 8.300 nan 0.000 0.521 320 C N -0.184 118.627 119.300 -0.816 0.000 2.466 320 C HA -0.009 4.453 4.460 0.002 0.000 0.278 320 C C 3.101 177.208 174.990 -1.470 0.000 1.288 320 C CA 1.156 59.558 59.018 -1.027 0.000 1.722 320 C CB -1.568 25.422 27.740 -1.250 0.000 2.017 320 C HN 0.620 nan 8.230 nan 0.000 0.488 321 G N 0.216 107.855 108.800 -1.934 0.000 2.394 321 G HA2 -0.124 3.837 3.960 0.002 0.000 0.215 321 G HA3 -0.124 3.837 3.960 0.002 0.000 0.215 321 G C 1.503 175.831 174.900 -0.954 0.000 1.165 321 G CA 0.549 44.441 45.100 -2.013 0.000 0.784 321 G HN 0.398 nan 8.290 nan 0.000 0.535 322 L N 1.580 122.383 121.223 -0.700 0.000 2.021 322 L HA -0.094 4.248 4.340 0.002 0.000 0.215 322 L C 3.121 179.872 176.870 -0.199 0.000 1.074 322 L CA 2.276 56.948 54.840 -0.279 0.000 0.760 322 L CB -0.671 41.249 42.059 -0.231 0.000 0.889 322 L HN 0.262 nan 8.230 nan 0.000 0.433 323 A N -1.515 121.173 122.820 -0.219 0.000 1.908 323 A HA -0.170 4.151 4.320 0.002 0.000 0.218 323 A C 2.256 179.800 177.584 -0.066 0.000 1.181 323 A CA 2.061 54.036 52.037 -0.103 0.000 0.627 323 A CB -1.076 17.883 19.000 -0.068 0.000 0.818 323 A HN 0.317 nan 8.150 nan 0.000 0.445 324 V N 0.753 120.615 119.914 -0.087 0.000 2.295 324 V HA -0.267 3.854 4.120 0.002 0.000 0.246 324 V C 2.451 178.499 176.094 -0.077 0.000 1.049 324 V CA 1.817 64.105 62.300 -0.019 0.000 1.024 324 V CB -0.741 31.159 31.823 0.128 0.000 0.648 324 V HN 0.531 nan 8.190 nan 0.000 0.447 325 I N 0.192 120.709 120.570 -0.089 0.000 2.208 325 I HA -0.259 3.913 4.170 0.002 0.000 0.245 325 I C 2.555 178.649 176.117 -0.038 0.000 1.097 325 I CA 1.818 63.087 61.300 -0.052 0.000 1.363 325 I CB -1.162 36.795 38.000 -0.071 0.000 1.051 325 I HN 0.489 nan 8.210 nan 0.000 0.413 326 E N 0.461 120.631 120.200 -0.050 0.000 2.160 326 E HA -0.215 4.136 4.350 0.002 0.000 0.195 326 E C 1.920 178.508 176.600 -0.020 0.000 0.991 326 E CA 0.848 57.222 56.400 -0.043 0.000 0.810 326 E CB 0.015 29.689 29.700 -0.043 0.000 0.742 326 E HN 0.447 nan 8.360 nan 0.000 0.466 327 E N 0.341 120.540 120.200 -0.001 0.000 2.285 327 E HA -0.076 4.275 4.350 0.002 0.000 0.194 327 E C 2.110 178.740 176.600 0.050 0.000 0.997 327 E CA 0.447 56.867 56.400 0.033 0.000 0.845 327 E CB 0.038 29.779 29.700 0.068 0.000 0.782 327 E HN 0.326 nan 8.360 nan 0.000 0.491 328 L N 0.623 121.868 121.223 0.035 0.000 2.095 328 L HA -0.091 4.250 4.340 0.002 0.000 0.204 328 L C 2.542 179.447 176.870 0.059 0.000 1.080 328 L CA 1.678 56.562 54.840 0.072 0.000 0.759 328 L CB -0.440 41.672 42.059 0.089 0.000 0.914 328 L HN 0.163 nan 8.230 nan 0.000 0.439 329 T N -3.953 110.616 114.554 0.024 0.000 3.067 329 T HA 0.128 4.480 4.350 0.002 0.000 0.257 329 T C 1.555 176.233 174.700 -0.036 0.000 1.105 329 T CA 0.510 62.611 62.100 0.001 0.000 1.104 329 T CB 0.217 69.070 68.868 -0.025 0.000 0.925 329 T HN 0.433 nan 8.240 nan 0.000 0.498 330 G N 0.768 109.550 108.800 -0.030 0.000 2.166 330 G HA2 -0.218 3.743 3.960 0.002 0.000 0.260 330 G HA3 -0.218 3.743 3.960 0.002 0.000 0.260 330 G C 0.064 174.911 174.900 -0.088 0.000 0.986 330 G CA 0.174 45.251 45.100 -0.039 0.000 0.683 330 G HN 0.778 nan 8.290 nan 0.000 0.527 331 V N 0.956 120.783 119.914 -0.144 0.000 2.293 331 V HA 0.424 4.545 4.120 0.002 0.000 0.275 331 V C 0.680 176.696 176.094 -0.129 0.000 1.021 331 V CA -0.618 61.556 62.300 -0.210 0.000 0.815 331 V CB 1.107 32.634 31.823 -0.493 0.000 1.025 331 V HN 0.351 nan 8.190 nan 0.000 0.448 332 R N 2.890 123.340 120.500 -0.084 0.000 2.755 332 R HA 0.248 4.590 4.340 0.002 0.000 0.268 332 R C 0.884 177.161 176.300 -0.038 0.000 1.295 332 R CA -0.015 56.055 56.100 -0.050 0.000 1.379 332 R CB 0.572 30.851 30.300 -0.036 0.000 1.170 332 R HN 0.772 nan 8.270 nan 0.000 0.584 333 S N 0.506 116.187 115.700 -0.032 0.000 2.540 333 S HA 0.159 4.630 4.470 0.002 0.000 0.218 333 S C 0.261 174.865 174.600 0.006 0.000 0.977 333 S CA -0.298 57.893 58.200 -0.015 0.000 0.918 333 S CB 0.294 63.488 63.200 -0.010 0.000 0.806 333 S HN 0.263 nan 8.310 nan 0.000 0.496 334 L N 2.186 123.420 121.223 0.018 0.000 2.464 334 L HA 0.663 5.005 4.340 0.002 0.000 0.266 334 L C -2.860 174.038 176.870 0.047 0.000 0.965 334 L CA -1.733 53.137 54.840 0.050 0.000 0.833 334 L CB 1.502 43.620 42.059 0.099 0.000 1.296 334 L HN -0.090 nan 8.230 nan 0.000 0.405 335 P HA 0.217 nan 4.420 nan 0.000 0.274 335 P C -1.319 175.979 177.300 -0.003 0.000 1.237 335 P CA -0.339 62.754 63.100 -0.011 0.000 0.793 335 P CB 0.426 32.101 31.700 -0.040 0.000 0.977 336 D N 2.160 122.558 120.400 -0.003 0.000 2.338 336 D HA 0.048 4.689 4.640 0.002 0.000 0.255 336 D C -1.366 174.886 176.300 -0.080 0.000 1.237 336 D CA -2.074 51.915 54.000 -0.017 0.000 0.883 336 D CB 0.410 41.310 40.800 0.168 0.000 1.087 336 D HN 0.144 nan 8.370 nan 0.000 0.485 337 P HA -0.128 nan 4.420 nan 0.000 0.226 337 P C 0.489 177.617 177.300 -0.287 0.000 1.153 337 P CA 0.830 63.733 63.100 -0.330 0.000 0.777 337 P CB -0.021 31.357 31.700 -0.537 0.000 0.794 338 Y N -2.091 118.165 120.300 -0.074 0.000 2.466 338 Y HA 0.055 4.606 4.550 0.002 0.000 0.272 338 Y C 2.612 178.542 175.900 0.050 0.000 1.169 338 Y CA 0.019 58.145 58.100 0.043 0.000 1.285 338 Y CB -0.768 37.636 38.460 -0.093 0.000 1.078 338 Y HN 0.068 nan 8.280 nan 0.000 0.523 339 H N 0.508 119.633 119.070 0.092 0.000 2.293 339 H HA -0.133 4.424 4.556 0.002 0.000 0.300 339 H C 1.938 177.278 175.328 0.020 0.000 1.082 339 H CA 2.237 58.316 56.048 0.051 0.000 1.308 339 H CB 0.405 30.186 29.762 0.031 0.000 1.375 339 H HN 0.042 nan 8.280 nan 0.000 0.495 340 E N 0.190 120.419 120.200 0.048 0.000 2.028 340 E HA -0.168 4.183 4.350 0.002 0.000 0.191 340 E C 2.182 178.770 176.600 -0.020 0.000 0.988 340 E CA 0.964 57.358 56.400 -0.009 0.000 0.799 340 E CB -0.904 28.833 29.700 0.062 0.000 0.755 340 E HN 0.517 nan 8.360 nan 0.000 0.447 341 F N 1.552 121.445 119.950 -0.095 0.000 2.111 341 F HA -0.238 4.290 4.527 0.002 0.000 0.300 341 F C 1.970 177.707 175.800 -0.105 0.000 1.088 341 F CA 1.525 59.471 58.000 -0.090 0.000 1.243 341 F CB -0.360 38.593 39.000 -0.079 0.000 0.996 341 F HN -0.045 nan 8.300 nan 0.000 0.483 342 L N -0.647 120.272 121.223 -0.507 0.000 2.307 342 L HA 0.107 4.448 4.340 0.002 0.000 0.211 342 L C 2.711 179.352 176.870 -0.382 0.000 1.099 342 L CA 0.709 55.185 54.840 -0.606 0.000 0.816 342 L CB -1.043 40.705 42.059 -0.518 0.000 0.952 342 L HN 0.222 nan 8.230 nan 0.000 0.455 343 A N 0.571 123.174 122.820 -0.361 0.000 1.972 343 A HA -0.109 4.213 4.320 0.002 0.000 0.219 343 A C 2.207 179.671 177.584 -0.199 0.000 1.169 343 A CA 1.702 53.543 52.037 -0.328 0.000 0.635 343 A CB -0.877 17.835 19.000 -0.480 0.000 0.810 343 A HN 0.424 nan 8.150 nan 0.000 0.446 344 G N -1.552 107.146 108.800 -0.170 0.000 2.985 344 G HA2 0.109 4.070 3.960 0.002 0.000 0.209 344 G HA3 0.109 4.070 3.960 0.002 0.000 0.209 344 G C 1.330 176.163 174.900 -0.113 0.000 1.165 344 G CA 0.449 45.482 45.100 -0.112 0.000 0.776 344 G HN 0.456 nan 8.290 nan 0.000 0.541 345 M N 0.188 119.693 119.600 -0.158 0.000 2.394 345 M HA 0.212 4.693 4.480 0.002 0.000 0.264 345 M C 1.479 177.718 176.300 -0.101 0.000 1.073 345 M CA 0.990 56.205 55.300 -0.142 0.000 1.111 345 M CB 0.008 32.486 32.600 -0.203 0.000 1.401 345 M HN 0.345 nan 8.290 nan 0.000 0.448 346 G N -0.985 107.757 108.800 -0.097 0.000 2.500 346 G HA2 0.103 4.064 3.960 0.002 0.000 0.209 346 G HA3 0.103 4.064 3.960 0.002 0.000 0.209 346 G C 0.312 175.174 174.900 -0.064 0.000 1.283 346 G CA -0.538 44.520 45.100 -0.068 0.000 0.960 346 G HN 0.657 nan 8.290 nan 0.000 0.528 347 G N -1.457 107.317 108.800 -0.043 0.000 2.195 347 G HA2 -0.257 3.704 3.960 0.002 0.000 0.246 347 G HA3 -0.257 3.704 3.960 0.002 0.000 0.246 347 G C 0.824 175.707 174.900 -0.028 0.000 0.984 347 G CA 1.175 46.256 45.100 -0.031 0.000 0.633 347 G HN 1.483 nan 8.290 nan 0.000 0.525 348 N N 0.639 119.317 118.700 -0.035 0.000 2.336 348 N HA 0.105 4.846 4.740 0.002 0.000 0.189 348 N C -0.019 175.476 175.510 -0.025 0.000 1.113 348 N CA 0.952 53.984 53.050 -0.029 0.000 0.858 348 N CB 0.583 39.050 38.487 -0.033 0.000 0.970 348 N HN 0.427 nan 8.380 nan 0.000 0.471 349 T N 1.288 115.825 114.554 -0.029 0.000 2.824 349 T HA 0.279 4.630 4.350 0.002 0.000 0.282 349 T C -0.368 174.305 174.700 -0.045 0.000 0.993 349 T CA -0.583 61.496 62.100 -0.035 0.000 0.967 349 T CB 2.272 71.120 68.868 -0.033 0.000 0.960 349 T HN -0.071 nan 8.240 nan 0.000 0.441 350 L N 5.167 126.350 121.223 -0.067 0.000 2.385 350 L HA 0.415 4.756 4.340 0.002 0.000 0.281 350 L C -0.579 176.234 176.870 -0.095 0.000 1.106 350 L CA -0.037 54.742 54.840 -0.101 0.000 0.856 350 L CB -0.297 41.648 42.059 -0.189 0.000 1.186 350 L HN 0.554 nan 8.230 nan 0.000 0.453 351 L N 4.394 125.574 121.223 -0.073 0.000 2.418 351 L HA 0.231 4.572 4.340 0.002 0.000 0.265 351 L C 1.076 177.906 176.870 -0.067 0.000 1.143 351 L CA -0.745 54.060 54.840 -0.057 0.000 0.809 351 L CB 0.504 42.541 42.059 -0.038 0.000 1.124 351 L HN 0.572 nan 8.230 nan 0.000 0.456 352 D N 1.686 122.053 120.400 -0.054 0.000 2.158 352 D HA -0.184 4.458 4.640 0.002 0.000 0.197 352 D C 1.898 178.171 176.300 -0.045 0.000 0.995 352 D CA 1.747 55.717 54.000 -0.051 0.000 0.846 352 D CB 0.053 40.832 40.800 -0.036 0.000 0.941 352 D HN 0.701 nan 8.370 nan 0.000 0.456 353 A N 0.634 123.433 122.820 -0.036 0.000 2.014 353 A HA -0.153 4.168 4.320 0.002 0.000 0.218 353 A C 2.041 179.601 177.584 -0.040 0.000 1.163 353 A CA 1.171 53.190 52.037 -0.030 0.000 0.652 353 A CB -0.326 18.663 19.000 -0.018 0.000 0.808 353 A HN 0.208 nan 8.150 nan 0.000 0.449 354 E N -0.582 119.589 120.200 -0.049 0.000 2.046 354 E HA -0.148 4.203 4.350 0.002 0.000 0.190 354 E C 2.278 178.841 176.600 -0.062 0.000 0.982 354 E CA 0.918 57.282 56.400 -0.060 0.000 0.800 354 E CB -0.208 29.455 29.700 -0.063 0.000 0.756 354 E HN 0.558 nan 8.360 nan 0.000 0.449 355 R N 0.823 121.271 120.500 -0.088 0.000 2.091 355 R HA -0.181 4.160 4.340 0.002 0.000 0.238 355 R C 2.223 178.510 176.300 -0.022 0.000 1.136 355 R CA 1.491 57.537 56.100 -0.090 0.000 0.959 355 R CB -0.220 29.988 30.300 -0.154 0.000 0.856 355 R HN 0.172 nan 8.270 nan 0.000 0.437 356 A N 0.538 123.339 122.820 -0.032 0.000 1.898 356 A HA -0.041 4.280 4.320 0.002 0.000 0.216 356 A C 2.345 179.912 177.584 -0.028 0.000 1.181 356 A CA 1.465 53.488 52.037 -0.022 0.000 0.620 356 A CB -0.672 18.313 19.000 -0.024 0.000 0.819 356 A HN 0.528 nan 8.150 nan 0.000 0.442 357 A N 0.004 122.798 122.820 -0.044 0.000 1.940 357 A HA -0.132 4.189 4.320 0.002 0.000 0.219 357 A C 2.094 179.640 177.584 -0.063 0.000 1.176 357 A CA 1.715 53.711 52.037 -0.069 0.000 0.631 357 A CB -0.605 18.340 19.000 -0.091 0.000 0.814 357 A HN 0.515 nan 8.150 nan 0.000 0.446 358 I N -1.124 119.427 120.570 -0.032 0.000 2.286 358 I HA -0.165 4.006 4.170 0.002 0.000 0.245 358 I C 2.444 178.558 176.117 -0.005 0.000 1.104 358 I CA 1.448 62.740 61.300 -0.013 0.000 1.397 358 I CB -0.272 37.767 38.000 0.065 0.000 1.072 358 I HN 0.307 nan 8.210 nan 0.000 0.417 359 E N 1.541 121.753 120.200 0.019 0.000 2.171 359 E HA -0.269 4.083 4.350 0.002 0.000 0.197 359 E C 1.901 178.495 176.600 -0.010 0.000 0.997 359 E CA 1.524 57.931 56.400 0.012 0.000 0.810 359 E CB -0.137 29.576 29.700 0.021 0.000 0.738 359 E HN 0.418 nan 8.360 nan 0.000 0.467 360 E N -0.640 119.548 120.200 -0.020 0.000 2.209 360 E HA -0.181 4.170 4.350 0.002 0.000 0.196 360 E C 1.578 178.160 176.600 -0.028 0.000 0.993 360 E CA 1.039 57.424 56.400 -0.025 0.000 0.819 360 E CB -0.055 29.624 29.700 -0.034 0.000 0.745 360 E HN 0.370 nan 8.360 nan 0.000 0.477 361 I N 0.022 120.571 120.570 -0.036 0.000 2.852 361 I HA -0.115 4.056 4.170 0.002 0.000 0.264 361 I C 2.259 178.351 176.117 -0.041 0.000 1.179 361 I CA 0.538 61.814 61.300 -0.041 0.000 1.480 361 I CB -0.964 37.006 38.000 -0.051 0.000 1.111 361 I HN -0.024 nan 8.210 nan 0.000 0.441 362 V N 2.705 122.597 119.914 -0.036 0.000 2.324 362 V HA -0.187 3.934 4.120 0.002 0.000 0.250 362 V C -0.036 176.038 176.094 -0.033 0.000 1.060 362 V CA 2.168 64.447 62.300 -0.035 0.000 1.042 362 V CB -2.099 29.707 31.823 -0.028 0.000 0.650 362 V HN 0.277 nan 8.190 nan 0.000 0.450 363 P HA -0.133 nan 4.420 nan 0.000 0.220 363 P C 1.717 178.993 177.300 -0.039 0.000 1.144 363 P CA 1.266 64.350 63.100 -0.027 0.000 0.800 363 P CB -0.133 31.555 31.700 -0.020 0.000 0.772 364 L N -1.785 119.408 121.223 -0.051 0.000 2.376 364 L HA -0.083 4.259 4.340 0.002 0.000 0.219 364 L C 2.225 179.038 176.870 -0.095 0.000 1.133 364 L CA 0.780 55.573 54.840 -0.079 0.000 0.816 364 L CB -0.811 41.194 42.059 -0.090 0.000 0.933 364 L HN 0.032 nan 8.230 nan 0.000 0.449 365 L N 0.117 121.299 121.223 -0.069 0.000 2.131 365 L HA -0.166 4.176 4.340 0.002 0.000 0.210 365 L C 2.878 179.714 176.870 -0.057 0.000 1.092 365 L CA 1.014 55.817 54.840 -0.062 0.000 0.759 365 L CB -0.683 41.352 42.059 -0.041 0.000 0.903 365 L HN 0.252 nan 8.230 nan 0.000 0.435 366 A N -0.262 122.530 122.820 -0.047 0.000 2.076 366 A HA -0.206 4.116 4.320 0.002 0.000 0.220 366 A C 1.601 179.159 177.584 -0.045 0.000 1.160 366 A CA 1.800 53.816 52.037 -0.035 0.000 0.653 366 A CB -0.368 18.618 19.000 -0.024 0.000 0.801 366 A HN 0.387 nan 8.150 nan 0.000 0.455 367 D N -0.664 119.685 120.400 -0.084 0.000 2.339 367 D HA 0.214 4.855 4.640 0.002 0.000 0.217 367 D C 0.678 176.857 176.300 -0.202 0.000 1.050 367 D CA 0.070 54.001 54.000 -0.114 0.000 0.856 367 D CB 0.071 40.789 40.800 -0.137 0.000 0.922 367 D HN 0.483 nan 8.370 nan 0.000 0.518 368 I N 0.000 120.470 120.570 -0.167 0.000 2.984 368 I HA 0.000 4.171 4.170 0.002 0.000 0.288 368 I CA 0.000 61.223 61.300 -0.129 0.000 1.566 368 I CB 0.000 37.972 38.000 -0.046 0.000 1.214 368 I HN 0.000 nan 8.210 nan 0.000 0.494