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 3gka_1_B DATA FIRST_RESID 8 DATA SEQUENCE HMPSLFDPLT IGDLTLANRI IMAPLTRARA GDTRTPNALM ARYYAERASA DATA SEQUENCE GLIISEATSV TPQGVGYAST PGIWSPEQVD GWRLVTDAVH AAGGRIFLQL DATA SEQUENCE WHVGRVSDPV FLDGALPVAP SAIAPGGHVS LVRPQRPYVT PRALELDEIP DATA SEQUENCE GVVAAFRRGA ENARAAGFDG VEVHGANGYL LDQFLQDSAN RRTDAYGGSI DATA SEQUENCE ENRARLLLEV VDAAIDVWSA ARVGVHLAPR GDAHTMGDSD PAATFGHVAR DATA SEQUENCE ELGRRRIAFL FARESFGGDA IGQQLKAAFG GPFIVNENFT LDSAQAALDA DATA SEQUENCE GQADAVAWGK LFIANPDLPR RFKLNAPLNE PNAATFYAQG EVGYTDYPAL DATA SEQUENCE E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 H HA 0.000 nan 4.556 nan 0.000 0.296 8 H C 0.000 175.336 175.328 0.013 0.000 0.993 8 H CA 0.000 56.056 56.048 0.013 0.000 1.023 8 H CB 0.000 29.772 29.762 0.016 0.000 1.292 9 M N 2.967 122.576 119.600 0.015 0.000 2.508 9 M HA 0.459 4.937 4.480 -0.003 0.000 0.327 9 M C -2.307 174.002 176.300 0.016 0.000 1.160 9 M CA -2.659 52.649 55.300 0.014 0.000 0.980 9 M CB 1.239 33.847 32.600 0.014 0.000 1.693 9 M HN 0.707 nan 8.290 nan 0.000 0.452 10 P HA 0.111 nan 4.420 nan 0.000 0.268 10 P C -0.386 176.918 177.300 0.006 0.000 1.205 10 P CA -0.093 63.013 63.100 0.010 0.000 0.771 10 P CB 0.570 32.270 31.700 0.001 0.000 0.858 11 S N 1.528 117.241 115.700 0.022 0.000 2.646 11 S HA 0.212 4.681 4.470 -0.003 0.000 0.276 11 S C 1.432 175.996 174.600 -0.061 0.000 1.222 11 S CA -0.769 57.445 58.200 0.024 0.000 1.014 11 S CB 0.263 63.538 63.200 0.126 0.000 0.991 11 S HN 0.391 nan 8.310 nan 0.000 0.533 12 L N 1.672 122.764 121.223 -0.218 0.000 2.265 12 L HA -0.021 4.318 4.340 -0.003 0.000 0.215 12 L C 0.927 177.517 176.870 -0.466 0.000 1.117 12 L CA 1.213 55.804 54.840 -0.414 0.000 0.782 12 L CB -0.368 41.308 42.059 -0.638 0.000 0.914 12 L HN 0.704 nan 8.230 nan 0.000 0.441 13 F N -1.613 118.357 119.950 0.034 0.000 2.727 13 F HA 0.112 4.638 4.527 -0.003 0.000 0.302 13 F C 0.706 176.518 175.800 0.020 0.000 1.097 13 F CA -0.735 57.283 58.000 0.030 0.000 1.330 13 F CB -0.273 38.742 39.000 0.024 0.000 1.084 13 F HN -0.075 nan 8.300 nan 0.000 0.578 14 D N 2.584 123.058 120.400 0.123 0.000 2.341 14 D HA 0.155 4.793 4.640 -0.003 0.000 0.245 14 D C -2.095 174.234 176.300 0.049 0.000 1.106 14 D CA -1.668 52.381 54.000 0.081 0.000 0.905 14 D CB 0.568 41.400 40.800 0.053 0.000 1.202 14 D HN -0.055 nan 8.370 nan 0.000 0.426 15 P HA 0.178 nan 4.420 nan 0.000 0.273 15 P C -0.668 176.640 177.300 0.014 0.000 1.250 15 P CA -0.547 62.570 63.100 0.029 0.000 0.793 15 P CB 0.716 32.435 31.700 0.032 0.000 1.011 16 L N 0.015 121.242 121.223 0.006 0.000 2.493 16 L HA 0.425 4.763 4.340 -0.003 0.000 0.265 16 L C -0.948 175.928 176.870 0.011 0.000 0.954 16 L CA -0.117 54.723 54.840 -0.000 0.000 0.844 16 L CB 1.778 43.821 42.059 -0.028 0.000 1.302 16 L HN 0.212 nan 8.230 nan 0.000 0.405 17 T N 6.304 120.873 114.554 0.025 0.000 2.743 17 T HA 0.622 4.971 4.350 -0.003 0.000 0.293 17 T C -0.039 174.697 174.700 0.059 0.000 0.945 17 T CA -0.012 62.113 62.100 0.042 0.000 1.030 17 T CB 0.176 69.070 68.868 0.043 0.000 0.912 17 T HN 0.571 nan 8.240 nan 0.000 0.483 18 I N 0.260 120.878 120.570 0.080 0.000 2.389 18 I HA 0.760 4.929 4.170 -0.003 0.000 0.288 18 I C 0.891 177.104 176.117 0.160 0.000 0.999 18 I CA -0.649 60.732 61.300 0.134 0.000 1.129 18 I CB 0.963 39.058 38.000 0.158 0.000 1.288 18 I HN 0.771 nan 8.210 nan 0.000 0.444 19 G N 6.105 114.995 108.800 0.152 0.000 2.629 19 G HA2 -0.385 3.574 3.960 -0.003 0.000 0.313 19 G HA3 -0.385 3.574 3.960 -0.003 0.000 0.313 19 G C 0.339 175.303 174.900 0.107 0.000 1.217 19 G CA 0.910 46.090 45.100 0.134 0.000 0.994 19 G HN 1.065 nan 8.290 nan 0.000 0.549 20 D N 0.121 120.590 120.400 0.115 0.000 2.402 20 D HA 0.473 5.111 4.640 -0.003 0.000 0.216 20 D C 0.495 176.853 176.300 0.097 0.000 1.128 20 D CA -0.141 53.914 54.000 0.092 0.000 0.833 20 D CB 0.425 41.274 40.800 0.083 0.000 0.971 20 D HN 0.473 nan 8.370 nan 0.000 0.503 21 L N 1.083 122.378 121.223 0.120 0.000 2.296 21 L HA 0.469 4.808 4.340 -0.003 0.000 0.286 21 L C -0.605 176.317 176.870 0.087 0.000 1.023 21 L CA -0.113 54.799 54.840 0.120 0.000 0.812 21 L CB 1.891 44.063 42.059 0.188 0.000 1.223 21 L HN -0.168 nan 8.230 nan 0.000 0.421 22 T N 5.939 120.532 114.554 0.065 0.000 2.767 22 T HA 0.544 4.892 4.350 -0.003 0.000 0.288 22 T C -0.110 174.613 174.700 0.038 0.000 0.963 22 T CA -0.397 61.731 62.100 0.046 0.000 1.019 22 T CB 0.576 69.467 68.868 0.038 0.000 0.923 22 T HN 0.382 nan 8.240 nan 0.000 0.468 23 L N 2.123 123.359 121.223 0.021 0.000 2.322 23 L HA 0.521 4.860 4.340 -0.003 0.000 0.279 23 L C 1.590 178.471 176.870 0.018 0.000 1.036 23 L CA -1.140 53.705 54.840 0.009 0.000 0.807 23 L CB 1.100 43.140 42.059 -0.031 0.000 1.226 23 L HN 0.769 nan 8.230 nan 0.000 0.433 24 A N 2.982 125.818 122.820 0.028 0.000 2.019 24 A HA -0.109 4.209 4.320 -0.003 0.000 0.219 24 A C 0.656 178.273 177.584 0.055 0.000 1.164 24 A CA 1.905 53.968 52.037 0.043 0.000 0.644 24 A CB -0.692 18.337 19.000 0.050 0.000 0.805 24 A HN 0.979 nan 8.150 nan 0.000 0.449 25 N N -3.832 114.892 118.700 0.040 0.000 3.378 25 N HA 0.412 5.150 4.740 -0.003 0.000 0.294 25 N C -0.570 174.934 175.510 -0.011 0.000 1.544 25 N CA -0.846 52.227 53.050 0.038 0.000 0.872 25 N CB 0.362 38.903 38.487 0.089 0.000 1.670 25 N HN -0.074 nan 8.380 nan 0.000 0.551 26 R N -0.639 119.837 120.500 -0.040 0.000 2.633 26 R HA 0.487 4.826 4.340 -0.003 0.000 0.348 26 R C -0.482 175.802 176.300 -0.027 0.000 1.100 26 R CA -0.215 55.842 56.100 -0.072 0.000 1.068 26 R CB -0.160 30.081 30.300 -0.098 0.000 1.351 26 R HN 0.493 nan 8.270 nan 0.000 0.575 27 I N 2.123 122.728 120.570 0.059 0.000 2.328 27 I HA 0.279 4.448 4.170 -0.003 0.000 0.287 27 I C -0.386 175.880 176.117 0.249 0.000 1.012 27 I CA -0.584 60.870 61.300 0.256 0.000 1.195 27 I CB 1.070 39.203 38.000 0.222 0.000 1.350 27 I HN -0.101 nan 8.210 nan 0.000 0.464 28 I N 6.411 127.126 120.570 0.242 0.000 2.460 28 I HA 0.362 4.531 4.170 -0.003 0.000 0.298 28 I C -0.008 176.200 176.117 0.152 0.000 0.989 28 I CA -0.837 60.496 61.300 0.055 0.000 1.173 28 I CB 1.766 39.684 38.000 -0.137 0.000 1.338 28 I HN 0.646 nan 8.210 nan 0.000 0.456 29 M N 5.111 124.587 119.600 -0.207 0.000 2.084 29 M HA 0.520 4.998 4.480 -0.003 0.000 0.351 29 M C 0.129 176.387 176.300 -0.069 0.000 1.240 29 M CA -0.296 54.772 55.300 -0.387 0.000 1.083 29 M CB 0.836 32.870 32.600 -0.944 0.000 1.593 29 M HN 0.759 nan 8.290 nan 0.000 0.463 30 A N 7.405 130.290 122.820 0.108 0.000 2.448 30 A HA 0.488 4.807 4.320 -0.003 0.000 0.239 30 A C -2.455 175.128 177.584 -0.002 0.000 1.080 30 A CA -1.130 50.992 52.037 0.141 0.000 0.779 30 A CB -0.655 18.486 19.000 0.234 0.000 1.026 30 A HN 0.652 nan 8.150 nan 0.000 0.499 31 P HA 0.280 nan 4.420 nan 0.000 0.271 31 P C -1.162 176.059 177.300 -0.133 0.000 1.226 31 P CA 0.535 63.529 63.100 -0.177 0.000 0.765 31 P CB 0.311 31.760 31.700 -0.418 0.000 0.835 32 L N 3.193 124.385 121.223 -0.052 0.000 2.427 32 L HA 0.248 4.586 4.340 -0.003 0.000 0.264 32 L C 0.435 177.281 176.870 -0.039 0.000 0.989 32 L CA -0.453 54.354 54.840 -0.055 0.000 0.865 32 L CB 1.526 43.571 42.059 -0.024 0.000 1.209 32 L HN 0.188 nan 8.230 nan 0.000 0.430 33 T N 3.107 117.603 114.554 -0.096 0.000 2.831 33 T HA 0.100 4.448 4.350 -0.003 0.000 0.291 33 T C 1.035 175.746 174.700 0.019 0.000 0.981 33 T CA 0.011 62.078 62.100 -0.055 0.000 1.174 33 T CB 0.466 69.254 68.868 -0.135 0.000 0.929 33 T HN 0.440 nan 8.240 nan 0.000 0.532 34 R N 2.179 122.686 120.500 0.012 0.000 2.453 34 R HA 0.399 4.737 4.340 -0.003 0.000 0.233 34 R C 1.169 177.463 176.300 -0.009 0.000 0.895 34 R CA 0.451 56.525 56.100 -0.043 0.000 1.028 34 R CB -0.520 29.703 30.300 -0.128 0.000 1.255 34 R HN 0.792 nan 8.270 nan 0.000 0.571 35 A N 2.229 125.058 122.820 0.016 0.000 2.791 35 A HA -0.198 4.121 4.320 -0.003 0.000 0.292 35 A C 0.576 178.099 177.584 -0.102 0.000 1.487 35 A CA 0.928 52.977 52.037 0.020 0.000 0.760 35 A CB -1.025 18.049 19.000 0.124 0.000 1.031 35 A HN 0.140 nan 8.150 nan 0.000 0.503 36 R N -1.025 119.330 120.500 -0.241 0.000 2.466 36 R HA 0.454 4.793 4.340 -0.003 0.000 0.279 36 R C 1.648 177.818 176.300 -0.215 0.000 0.976 36 R CA 0.732 56.618 56.100 -0.356 0.000 1.081 36 R CB -0.821 28.984 30.300 -0.825 0.000 1.215 36 R HN 0.970 nan 8.270 nan 0.000 0.546 37 A N 0.593 123.333 122.820 -0.133 0.000 2.169 37 A HA 0.353 4.671 4.320 -0.003 0.000 0.212 37 A C 1.033 178.565 177.584 -0.088 0.000 1.153 37 A CA 0.672 52.638 52.037 -0.120 0.000 0.756 37 A CB -0.173 18.767 19.000 -0.100 0.000 0.813 37 A HN 0.398 nan 8.150 nan 0.000 0.471 38 G N -0.409 108.354 108.800 -0.062 0.000 2.804 38 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.230 38 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.230 38 G C 0.113 175.009 174.900 -0.006 0.000 1.386 38 G CA 0.035 45.115 45.100 -0.034 0.000 0.875 38 G HN 0.175 nan 8.290 nan 0.000 0.557 39 D N -0.122 120.283 120.400 0.008 0.000 2.190 39 D HA -0.136 4.503 4.640 -0.003 0.000 0.200 39 D C 2.704 179.022 176.300 0.030 0.000 0.992 39 D CA 2.490 56.508 54.000 0.030 0.000 0.854 39 D CB -0.420 40.396 40.800 0.028 0.000 0.936 39 D HN 0.867 nan 8.370 nan 0.000 0.462 40 T N -2.225 112.330 114.554 0.002 0.000 3.088 40 T HA 0.019 4.367 4.350 -0.003 0.000 0.259 40 T C 0.950 175.629 174.700 -0.034 0.000 1.122 40 T CA -0.041 62.054 62.100 -0.007 0.000 1.095 40 T CB 0.001 68.851 68.868 -0.030 0.000 0.930 40 T HN 0.133 nan 8.240 nan 0.000 0.508 41 R N 0.458 120.933 120.500 -0.042 0.000 3.651 41 R HA -0.109 4.230 4.340 -0.003 0.000 0.292 41 R C -0.853 175.334 176.300 -0.187 0.000 1.161 41 R CA 0.836 56.888 56.100 -0.080 0.000 0.787 41 R CB -2.936 27.341 30.300 -0.038 0.000 1.249 41 R HN 0.436 nan 8.270 nan 0.000 0.476 42 T N 1.325 115.765 114.554 -0.190 0.000 2.779 42 T HA 0.400 4.748 4.350 -0.003 0.000 0.280 42 T C -2.341 172.172 174.700 -0.311 0.000 0.987 42 T CA -1.504 60.443 62.100 -0.254 0.000 0.966 42 T CB 2.085 70.847 68.868 -0.177 0.000 0.933 42 T HN -0.126 nan 8.240 nan 0.000 0.442 43 P HA 0.221 nan 4.420 nan 0.000 0.269 43 P C -0.572 176.553 177.300 -0.292 0.000 1.209 43 P CA -0.334 62.440 63.100 -0.544 0.000 0.776 43 P CB 0.496 31.565 31.700 -1.051 0.000 0.876 44 N N -0.079 118.512 118.700 -0.180 0.000 2.831 44 N HA 0.541 5.279 4.740 -0.003 0.000 0.276 44 N C 0.438 175.931 175.510 -0.028 0.000 1.416 44 N CA -0.937 52.057 53.050 -0.092 0.000 0.799 44 N CB -0.091 38.350 38.487 -0.077 0.000 1.554 44 N HN 0.129 nan 8.380 nan 0.000 0.541 45 A N -0.600 122.216 122.820 -0.006 0.000 2.070 45 A HA -0.063 4.256 4.320 -0.003 0.000 0.220 45 A C 1.722 179.346 177.584 0.066 0.000 1.159 45 A CA 1.069 53.121 52.037 0.026 0.000 0.656 45 A CB -0.852 18.159 19.000 0.017 0.000 0.800 45 A HN 0.599 nan 8.150 nan 0.000 0.453 46 L N -0.686 120.582 121.223 0.074 0.000 2.027 46 L HA -0.058 4.281 4.340 -0.003 0.000 0.206 46 L C 2.432 179.462 176.870 0.268 0.000 1.074 46 L CA 2.006 56.934 54.840 0.146 0.000 0.745 46 L CB -0.547 41.578 42.059 0.110 0.000 0.898 46 L HN 0.433 nan 8.230 nan 0.000 0.433 47 M N -0.950 118.793 119.600 0.239 0.000 2.117 47 M HA -0.180 4.298 4.480 -0.003 0.000 0.262 47 M C 2.284 178.798 176.300 0.356 0.000 1.065 47 M CA 1.772 57.273 55.300 0.335 0.000 1.114 47 M CB -0.617 32.111 32.600 0.213 0.000 1.361 47 M HN 0.415 nan 8.290 nan 0.000 0.408 48 A N 0.644 123.604 122.820 0.234 0.000 1.908 48 A HA -0.176 4.142 4.320 -0.003 0.000 0.218 48 A C 2.183 179.861 177.584 0.156 0.000 1.181 48 A CA 1.637 53.792 52.037 0.196 0.000 0.627 48 A CB -0.636 18.422 19.000 0.097 0.000 0.818 48 A HN 0.442 nan 8.150 nan 0.000 0.445 49 R N -2.170 118.404 120.500 0.123 0.000 2.081 49 R HA -0.151 4.187 4.340 -0.003 0.000 0.235 49 R C 2.196 178.519 176.300 0.038 0.000 1.131 49 R CA 1.657 57.802 56.100 0.074 0.000 0.960 49 R CB -0.586 29.756 30.300 0.070 0.000 0.856 49 R HN 0.741 nan 8.270 nan 0.000 0.436 50 Y N 0.455 120.671 120.300 -0.141 0.000 2.145 50 Y HA -0.285 4.263 4.550 -0.003 0.000 0.286 50 Y C 1.779 177.499 175.900 -0.300 0.000 1.145 50 Y CA 1.495 59.357 58.100 -0.396 0.000 1.148 50 Y CB -0.486 37.438 38.460 -0.893 0.000 0.981 50 Y HN -0.001 nan 8.280 nan 0.000 0.507 51 Y N -0.343 119.884 120.300 -0.122 0.000 2.220 51 Y HA -0.118 4.430 4.550 -0.003 0.000 0.291 51 Y C 2.719 178.510 175.900 -0.181 0.000 1.129 51 Y CA 1.002 58.977 58.100 -0.208 0.000 1.161 51 Y CB -0.728 37.736 38.460 0.007 0.000 0.997 51 Y HN 0.242 nan 8.280 nan 0.000 0.522 52 A N 0.933 123.787 122.820 0.058 0.000 1.908 52 A HA -0.281 4.037 4.320 -0.003 0.000 0.218 52 A C 1.969 179.533 177.584 -0.034 0.000 1.181 52 A CA 2.064 54.108 52.037 0.012 0.000 0.627 52 A CB -0.866 18.148 19.000 0.023 0.000 0.818 52 A HN 0.670 nan 8.150 nan 0.000 0.445 53 E N -0.690 119.467 120.200 -0.072 0.000 2.478 53 E HA -0.086 4.262 4.350 -0.003 0.000 0.198 53 E C 1.383 177.922 176.600 -0.101 0.000 1.046 53 E CA 0.660 57.012 56.400 -0.079 0.000 0.870 53 E CB -0.152 29.502 29.700 -0.077 0.000 0.818 53 E HN 0.583 nan 8.360 nan 0.000 0.527 54 R N -0.080 120.328 120.500 -0.154 0.000 2.432 54 R HA 0.290 4.628 4.340 -0.003 0.000 0.260 54 R C 1.388 177.623 176.300 -0.107 0.000 0.935 54 R CA 0.478 56.492 56.100 -0.143 0.000 1.080 54 R CB 0.675 30.770 30.300 -0.341 0.000 1.155 54 R HN 0.179 nan 8.270 nan 0.000 0.531 55 A N 0.754 123.539 122.820 -0.059 0.000 2.239 55 A HA -0.077 4.241 4.320 -0.003 0.000 0.209 55 A C 1.855 179.438 177.584 -0.001 0.000 1.171 55 A CA 1.090 53.109 52.037 -0.031 0.000 0.768 55 A CB -0.241 18.756 19.000 -0.006 0.000 0.790 55 A HN 0.323 nan 8.150 nan 0.000 0.478 56 S N -0.281 115.429 115.700 0.018 0.000 2.527 56 S HA 0.400 4.869 4.470 -0.003 0.000 0.222 56 S C 1.055 175.702 174.600 0.078 0.000 0.985 56 S CA 0.333 58.562 58.200 0.048 0.000 0.921 56 S CB -0.593 62.636 63.200 0.049 0.000 0.772 56 S HN 0.875 nan 8.310 nan 0.000 0.529 57 A N 1.278 124.139 122.820 0.068 0.000 2.531 57 A HA 0.536 4.854 4.320 -0.003 0.000 0.236 57 A C 1.624 179.216 177.584 0.014 0.000 1.062 57 A CA 0.132 52.209 52.037 0.067 0.000 0.760 57 A CB -0.466 18.410 19.000 -0.207 0.000 0.995 57 A HN 0.442 nan 8.150 nan 0.000 0.501 58 G N 0.640 109.455 108.800 0.026 0.000 2.469 58 G HA2 0.115 4.074 3.960 -0.003 0.000 0.219 58 G HA3 0.115 4.074 3.960 -0.003 0.000 0.219 58 G C 0.364 175.231 174.900 -0.054 0.000 1.150 58 G CA 1.681 46.776 45.100 -0.009 0.000 0.763 58 G HN 1.064 nan 8.290 nan 0.000 0.561 59 L N -0.851 120.308 121.223 -0.106 0.000 2.472 59 L HA 0.629 4.968 4.340 -0.003 0.000 0.260 59 L C -1.366 175.400 176.870 -0.174 0.000 0.963 59 L CA -0.879 53.872 54.840 -0.148 0.000 0.829 59 L CB 2.148 44.042 42.059 -0.275 0.000 1.348 59 L HN 0.016 nan 8.230 nan 0.000 0.408 60 I N 4.954 125.446 120.570 -0.131 0.000 2.377 60 I HA 0.441 4.609 4.170 -0.003 0.000 0.293 60 I C -0.604 175.468 176.117 -0.075 0.000 0.987 60 I CA -0.428 60.793 61.300 -0.132 0.000 1.185 60 I CB 1.629 39.577 38.000 -0.088 0.000 1.341 60 I HN 0.470 nan 8.210 nan 0.000 0.455 61 I N 5.471 125.995 120.570 -0.076 0.000 2.339 61 I HA 0.182 4.350 4.170 -0.003 0.000 0.290 61 I C 0.681 176.773 176.117 -0.042 0.000 0.994 61 I CA -0.236 61.033 61.300 -0.052 0.000 1.191 61 I CB 1.593 39.550 38.000 -0.073 0.000 1.343 61 I HN 0.639 nan 8.210 nan 0.000 0.458 62 S N 5.379 121.030 115.700 -0.082 0.000 2.589 62 S HA 0.116 4.585 4.470 -0.003 0.000 0.265 62 S C 0.232 174.836 174.600 0.008 0.000 1.342 62 S CA -0.772 57.413 58.200 -0.025 0.000 1.005 62 S CB 0.518 63.583 63.200 -0.224 0.000 0.909 62 S HN 0.685 nan 8.310 nan 0.000 0.555 63 E N 0.837 121.157 120.200 0.200 0.000 2.467 63 E HA 0.196 4.544 4.350 -0.003 0.000 0.264 63 E C 0.252 176.770 176.600 -0.136 0.000 1.020 63 E CA -0.152 56.273 56.400 0.041 0.000 0.945 63 E CB 0.108 29.919 29.700 0.185 0.000 0.942 63 E HN 0.851 nan 8.360 nan 0.000 0.449 64 A N 3.586 126.149 122.820 -0.429 0.000 2.566 64 A HA 0.101 4.419 4.320 -0.003 0.000 0.245 64 A C -0.125 177.376 177.584 -0.139 0.000 1.056 64 A CA 0.353 51.994 52.037 -0.659 0.000 0.757 64 A CB -0.105 17.714 19.000 -1.968 0.000 0.979 64 A HN 0.587 nan 8.150 nan 0.000 0.508 65 T N 3.082 117.720 114.554 0.140 0.000 2.809 65 T HA 0.387 4.736 4.350 -0.003 0.000 0.284 65 T C 0.091 175.017 174.700 0.376 0.000 0.992 65 T CA -0.288 62.003 62.100 0.318 0.000 0.957 65 T CB 1.159 70.126 68.868 0.165 0.000 0.942 65 T HN 0.607 nan 8.240 nan 0.000 0.439 66 S N 1.928 117.876 115.700 0.413 0.000 2.549 66 S HA 0.105 4.573 4.470 -0.003 0.000 0.283 66 S C 1.784 176.527 174.600 0.238 0.000 1.320 66 S CA -0.707 57.623 58.200 0.216 0.000 1.058 66 S CB 0.803 64.075 63.200 0.121 0.000 0.882 66 S HN 0.702 nan 8.310 nan 0.000 0.498 67 V N 0.595 120.502 119.914 -0.011 0.000 3.608 67 V HA 0.299 4.417 4.120 -0.003 0.000 0.269 67 V C 0.707 176.833 176.094 0.053 0.000 1.245 67 V CA 0.674 62.963 62.300 -0.018 0.000 1.138 67 V CB -0.435 31.140 31.823 -0.413 0.000 0.841 67 V HN 0.783 nan 8.190 nan 0.000 0.451 68 T N -1.388 113.081 114.554 -0.142 0.000 2.885 68 T HA 0.491 4.840 4.350 -0.003 0.000 0.322 68 T C -2.690 171.488 174.700 -0.871 0.000 1.387 68 T CA -0.557 61.226 62.100 -0.528 0.000 1.041 68 T CB 1.902 70.562 68.868 -0.347 0.000 1.287 68 T HN -0.038 nan 8.240 nan 0.000 0.491 69 P HA -0.098 nan 4.420 nan 0.000 0.218 69 P C 1.367 178.388 177.300 -0.465 0.000 1.146 69 P CA 0.983 63.582 63.100 -0.835 0.000 0.813 69 P CB 0.164 31.459 31.700 -0.676 0.000 0.778 70 Q N -0.368 119.180 119.800 -0.420 0.000 2.226 70 Q HA -0.074 4.265 4.340 -0.003 0.000 0.204 70 Q C 1.523 177.227 176.000 -0.493 0.000 0.975 70 Q CA 1.522 57.150 55.803 -0.291 0.000 0.866 70 Q CB -0.700 27.962 28.738 -0.127 0.000 0.915 70 Q HN 0.188 nan 8.270 nan 0.000 0.440 71 G N 0.257 108.539 108.800 -0.864 0.000 3.448 71 G HA2 0.293 4.252 3.960 -0.003 0.000 0.261 71 G HA3 0.293 4.252 3.960 -0.003 0.000 0.261 71 G C -0.331 174.107 174.900 -0.769 0.000 1.173 71 G CA -0.271 44.065 45.100 -1.273 0.000 0.835 71 G HN 0.075 nan 8.290 nan 0.000 0.534 72 V N 0.219 119.832 119.914 -0.501 0.000 2.481 72 V HA 0.679 4.798 4.120 -0.003 0.000 0.286 72 V C 1.002 176.861 176.094 -0.392 0.000 1.042 72 V CA 0.298 62.364 62.300 -0.389 0.000 0.928 72 V CB 1.711 33.441 31.823 -0.155 0.000 0.986 72 V HN 0.200 nan 8.190 nan 0.000 0.462 73 G N 3.301 111.797 108.800 -0.508 0.000 4.008 73 G HA2 0.332 4.290 3.960 -0.003 0.000 0.278 73 G HA3 0.332 4.290 3.960 -0.003 0.000 0.278 73 G C -0.464 173.537 174.900 -1.498 0.000 1.021 73 G CA 0.121 44.780 45.100 -0.736 0.000 0.833 73 G HN 0.543 nan 8.290 nan 0.000 0.454 74 Y N -0.488 119.222 120.300 -0.982 0.000 2.571 74 Y HA 0.649 5.198 4.550 -0.003 0.000 0.341 74 Y C 0.267 175.863 175.900 -0.507 0.000 1.076 74 Y CA -1.327 56.283 58.100 -0.817 0.000 1.029 74 Y CB 1.753 40.075 38.460 -0.230 0.000 1.308 74 Y HN 0.121 nan 8.280 nan 0.000 0.461 75 A N 0.657 123.465 122.820 -0.020 0.000 2.425 75 A HA 0.495 4.813 4.320 -0.003 0.000 0.249 75 A C 0.731 178.390 177.584 0.126 0.000 1.084 75 A CA 0.481 52.617 52.037 0.166 0.000 0.781 75 A CB -0.336 18.815 19.000 0.252 0.000 1.019 75 A HN 1.211 nan 8.150 nan 0.000 0.490 76 S N -0.616 115.148 115.700 0.106 0.000 3.382 76 S HA -0.176 4.292 4.470 -0.003 0.000 0.293 76 S C 0.498 175.136 174.600 0.063 0.000 1.262 76 S CA 1.325 59.565 58.200 0.066 0.000 0.969 76 S CB -2.637 60.589 63.200 0.044 0.000 1.136 76 S HN 1.859 nan 8.310 nan 0.000 0.635 77 T N 0.355 114.976 114.554 0.112 0.000 2.882 77 T HA 0.644 4.993 4.350 -0.003 0.000 0.287 77 T C -2.370 172.416 174.700 0.144 0.000 0.992 77 T CA -1.994 60.199 62.100 0.155 0.000 1.076 77 T CB 1.767 70.803 68.868 0.280 0.000 0.961 77 T HN 0.029 nan 8.240 nan 0.000 0.490 78 P HA 0.505 nan 4.420 nan 0.000 0.278 78 P C 0.093 177.476 177.300 0.138 0.000 1.258 78 P CA -0.255 62.894 63.100 0.081 0.000 0.811 78 P CB 0.909 32.644 31.700 0.058 0.000 1.063 79 G N -0.372 108.369 108.800 -0.099 0.000 2.735 79 G HA2 0.541 4.499 3.960 -0.003 0.000 0.301 79 G HA3 0.541 4.499 3.960 -0.003 0.000 0.301 79 G C -0.818 174.040 174.900 -0.070 0.000 1.279 79 G CA -0.504 44.429 45.100 -0.278 0.000 1.019 79 G HN 0.451 nan 8.290 nan 0.000 0.497 80 I N -0.531 120.005 120.570 -0.057 0.000 3.817 80 I HA 0.297 4.465 4.170 -0.003 0.000 0.322 80 I C 0.786 176.942 176.117 0.065 0.000 1.512 80 I CA -1.277 60.056 61.300 0.056 0.000 1.066 80 I CB 0.007 38.032 38.000 0.042 0.000 1.336 80 I HN 0.669 nan 8.210 nan 0.000 0.539 81 W N 0.868 122.207 121.300 0.065 0.000 2.942 81 W HA 0.483 5.141 4.660 -0.003 0.000 0.263 81 W C 0.708 177.253 176.519 0.042 0.000 1.296 81 W CA 0.381 57.743 57.345 0.029 0.000 1.504 81 W CB -1.092 28.364 29.460 -0.006 0.000 1.096 81 W HN 0.216 nan 8.180 nan 0.000 0.639 82 S N -0.250 115.357 115.700 -0.154 0.000 2.568 82 S HA 0.505 4.974 4.470 -0.003 0.000 0.302 82 S C -1.736 172.851 174.600 -0.022 0.000 1.082 82 S CA -1.509 56.669 58.200 -0.038 0.000 1.009 82 S CB 2.323 65.450 63.200 -0.121 0.000 1.069 82 S HN -0.278 nan 8.310 nan 0.000 0.500 83 P HA -0.119 nan 4.420 nan 0.000 0.216 83 P C 1.243 178.545 177.300 0.003 0.000 1.153 83 P CA 1.337 64.450 63.100 0.022 0.000 0.858 83 P CB 0.061 31.777 31.700 0.027 0.000 0.789 84 E N -0.570 119.616 120.200 -0.023 0.000 2.110 84 E HA -0.215 4.133 4.350 -0.003 0.000 0.193 84 E C 2.150 178.707 176.600 -0.072 0.000 0.988 84 E CA 1.044 57.418 56.400 -0.043 0.000 0.804 84 E CB -0.233 29.436 29.700 -0.052 0.000 0.745 84 E HN 0.412 nan 8.360 nan 0.000 0.458 85 Q N 0.027 119.762 119.800 -0.109 0.000 2.119 85 Q HA -0.116 4.223 4.340 -0.003 0.000 0.201 85 Q C 2.312 178.350 176.000 0.063 0.000 0.972 85 Q CA 1.023 56.754 55.803 -0.120 0.000 0.847 85 Q CB 0.100 28.711 28.738 -0.212 0.000 0.903 85 Q HN 0.120 nan 8.270 nan 0.000 0.433 86 V N 1.324 121.306 119.914 0.113 0.000 2.332 86 V HA -0.284 3.834 4.120 -0.003 0.000 0.248 86 V C 1.860 178.043 176.094 0.149 0.000 1.055 86 V CA 2.197 64.615 62.300 0.196 0.000 1.038 86 V CB -0.533 31.365 31.823 0.126 0.000 0.651 86 V HN 0.439 nan 8.190 nan 0.000 0.450 87 D N 0.142 120.579 120.400 0.061 0.000 2.144 87 D HA -0.074 4.564 4.640 -0.003 0.000 0.200 87 D C 2.164 178.468 176.300 0.005 0.000 0.978 87 D CA 1.364 55.382 54.000 0.031 0.000 0.833 87 D CB -0.366 40.438 40.800 0.006 0.000 0.961 87 D HN 0.330 nan 8.370 nan 0.000 0.470 88 G N -0.282 108.489 108.800 -0.048 0.000 2.446 88 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.217 88 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.217 88 G C 1.436 176.258 174.900 -0.129 0.000 1.168 88 G CA 0.727 45.739 45.100 -0.146 0.000 0.771 88 G HN 0.394 nan 8.290 nan 0.000 0.551 89 W N 0.294 121.599 121.300 0.008 0.000 2.374 89 W HA 0.049 4.707 4.660 -0.002 0.000 0.288 89 W C 2.893 179.338 176.519 -0.123 0.000 1.218 89 W CA 0.535 57.882 57.345 0.004 0.000 1.245 89 W CB 0.006 29.566 29.460 0.166 0.000 1.126 89 W HN 0.063 nan 8.180 nan 0.000 0.545 90 R N 0.489 121.066 120.500 0.129 0.000 2.119 90 R HA -0.199 4.139 4.340 -0.003 0.000 0.246 90 R C 2.003 178.295 176.300 -0.014 0.000 1.146 90 R CA 1.648 57.760 56.100 0.021 0.000 0.962 90 R CB -0.946 29.372 30.300 0.031 0.000 0.863 90 R HN 0.236 nan 8.270 nan 0.000 0.442 91 L N -0.909 120.313 121.223 -0.001 0.000 2.083 91 L HA -0.196 4.143 4.340 -0.003 0.000 0.209 91 L C 2.189 179.055 176.870 -0.006 0.000 1.083 91 L CA 1.078 55.914 54.840 -0.007 0.000 0.752 91 L CB -0.456 41.596 42.059 -0.012 0.000 0.899 91 L HN 0.060 nan 8.230 nan 0.000 0.433 92 V N -0.351 119.570 119.914 0.011 0.000 2.323 92 V HA -0.240 3.879 4.120 -0.003 0.000 0.244 92 V C 2.752 178.758 176.094 -0.147 0.000 1.041 92 V CA 2.248 64.564 62.300 0.026 0.000 1.025 92 V CB -0.853 31.081 31.823 0.185 0.000 0.656 92 V HN 0.670 nan 8.190 nan 0.000 0.451 93 T N -2.154 112.217 114.554 -0.305 0.000 2.821 93 T HA -0.217 4.131 4.350 -0.003 0.000 0.267 93 T C 1.566 176.012 174.700 -0.424 0.000 1.046 93 T CA 1.624 63.382 62.100 -0.570 0.000 1.139 93 T CB -0.477 67.976 68.868 -0.691 0.000 0.871 93 T HN 0.371 nan 8.240 nan 0.000 0.454 94 D N 2.111 122.414 120.400 -0.162 0.000 2.104 94 D HA 0.021 4.659 4.640 -0.003 0.000 0.194 94 D C 2.503 178.786 176.300 -0.028 0.000 0.994 94 D CA 1.630 55.607 54.000 -0.037 0.000 0.830 94 D CB -0.750 40.047 40.800 -0.004 0.000 0.959 94 D HN 0.578 nan 8.370 nan 0.000 0.452 95 A N 0.407 123.203 122.820 -0.041 0.000 1.898 95 A HA -0.116 4.202 4.320 -0.003 0.000 0.216 95 A C 2.531 180.105 177.584 -0.015 0.000 1.181 95 A CA 1.228 53.261 52.037 -0.007 0.000 0.620 95 A CB -0.727 18.284 19.000 0.017 0.000 0.819 95 A HN 0.143 nan 8.150 nan 0.000 0.442 96 V N -0.261 119.607 119.914 -0.076 0.000 2.295 96 V HA -0.308 3.810 4.120 -0.003 0.000 0.246 96 V C 2.305 178.394 176.094 -0.008 0.000 1.049 96 V CA 2.374 64.627 62.300 -0.078 0.000 1.024 96 V CB -1.232 30.483 31.823 -0.181 0.000 0.648 96 V HN 0.745 nan 8.190 nan 0.000 0.447 97 H N -0.050 119.011 119.070 -0.016 0.000 2.353 97 H HA -0.108 4.446 4.556 -0.003 0.000 0.300 97 H C 2.342 177.670 175.328 0.001 0.000 1.090 97 H CA 1.124 57.168 56.048 -0.006 0.000 1.327 97 H CB -0.156 29.600 29.762 -0.011 0.000 1.383 97 H HN 0.464 nan 8.280 nan 0.000 0.508 98 A N 1.111 124.001 122.820 0.118 0.000 1.940 98 A HA -0.162 4.157 4.320 -0.003 0.000 0.219 98 A C 2.383 179.997 177.584 0.050 0.000 1.176 98 A CA 1.578 53.655 52.037 0.066 0.000 0.631 98 A CB -0.751 18.275 19.000 0.043 0.000 0.814 98 A HN 0.481 nan 8.150 nan 0.000 0.446 99 A N -2.111 120.736 122.820 0.045 0.000 2.238 99 A HA 0.423 4.742 4.320 -0.003 0.000 0.208 99 A C 1.679 179.287 177.584 0.039 0.000 1.177 99 A CA 1.160 53.216 52.037 0.032 0.000 0.804 99 A CB -0.838 18.173 19.000 0.019 0.000 0.823 99 A HN 1.943 nan 8.150 nan 0.000 0.482 100 G N -2.014 106.822 108.800 0.060 0.000 2.131 100 G HA2 0.018 3.977 3.960 -0.003 0.000 0.223 100 G HA3 0.018 3.977 3.960 -0.003 0.000 0.223 100 G C 0.591 175.533 174.900 0.071 0.000 0.990 100 G CA 0.218 45.353 45.100 0.059 0.000 0.671 100 G HN 1.299 nan 8.290 nan 0.000 0.521 101 G N -1.027 107.828 108.800 0.091 0.000 2.531 101 G HA2 0.728 4.687 3.960 -0.003 0.000 0.313 101 G HA3 0.728 4.687 3.960 -0.003 0.000 0.313 101 G C -0.292 174.711 174.900 0.170 0.000 1.238 101 G CA -0.805 44.345 45.100 0.084 0.000 0.994 101 G HN 0.329 nan 8.290 nan 0.000 0.493 102 R N -0.830 119.746 120.500 0.127 0.000 2.744 102 R HA 0.596 4.934 4.340 -0.003 0.000 0.279 102 R C -1.415 174.972 176.300 0.145 0.000 0.977 102 R CA -0.736 55.484 56.100 0.201 0.000 0.906 102 R CB 2.162 32.559 30.300 0.162 0.000 1.197 102 R HN 0.531 nan 8.270 nan 0.000 0.463 103 I N 1.658 122.371 120.570 0.238 0.000 2.607 103 I HA 0.457 4.626 4.170 -0.003 0.000 0.290 103 I C -1.577 174.847 176.117 0.512 0.000 1.129 103 I CA -0.778 60.654 61.300 0.221 0.000 1.042 103 I CB 1.545 39.549 38.000 0.006 0.000 1.242 103 I HN 0.317 nan 8.210 nan 0.000 0.421 104 F N 6.789 126.762 119.950 0.038 0.000 2.469 104 F HA 0.505 5.030 4.527 -0.003 0.000 0.332 104 F C -0.302 175.282 175.800 -0.360 0.000 1.103 104 F CA -0.813 57.120 58.000 -0.111 0.000 0.979 104 F CB 1.876 40.821 39.000 -0.091 0.000 1.137 104 F HN 0.259 nan 8.300 nan 0.000 0.463 105 L N 3.514 124.265 121.223 -0.786 0.000 2.305 105 L HA 0.343 4.682 4.340 -0.003 0.000 0.281 105 L C -0.087 176.450 176.870 -0.555 0.000 1.085 105 L CA -0.039 54.150 54.840 -1.085 0.000 0.813 105 L CB 0.879 41.804 42.059 -1.890 0.000 1.157 105 L HN 0.665 nan 8.230 nan 0.000 0.436 106 Q N 4.762 124.320 119.800 -0.402 0.000 2.314 106 Q HA 0.390 4.729 4.340 -0.003 0.000 0.257 106 Q C -1.402 174.514 176.000 -0.140 0.000 0.975 106 Q CA -0.472 55.182 55.803 -0.248 0.000 0.933 106 Q CB 0.734 29.289 28.738 -0.305 0.000 1.195 106 Q HN 0.717 nan 8.270 nan 0.000 0.426 107 L N 4.562 125.785 121.223 -0.001 0.000 2.305 107 L HA 0.435 4.773 4.340 -0.003 0.000 0.281 107 L C -0.677 176.445 176.870 0.421 0.000 1.085 107 L CA -0.503 54.433 54.840 0.160 0.000 0.813 107 L CB 0.540 42.756 42.059 0.262 0.000 1.157 107 L HN 0.632 nan 8.230 nan 0.000 0.436 108 W N 4.146 125.477 121.300 0.051 0.000 2.915 108 W HA 0.419 5.077 4.660 -0.003 0.000 0.337 108 W C -1.125 175.382 176.519 -0.020 0.000 1.102 108 W CA -0.656 56.726 57.345 0.063 0.000 1.224 108 W CB 1.179 30.616 29.460 -0.038 0.000 1.416 108 W HN 0.365 nan 8.180 nan 0.000 0.503 109 H N 4.851 123.941 119.070 0.033 0.000 3.018 109 H HA 0.253 4.808 4.556 -0.003 0.000 0.334 109 H C 0.713 175.849 175.328 -0.321 0.000 0.983 109 H CA 0.052 55.963 56.048 -0.228 0.000 1.363 109 H CB 1.815 31.605 29.762 0.048 0.000 1.668 109 H HN 0.388 nan 8.280 nan 0.000 0.513 110 V N 2.860 122.478 119.914 -0.493 0.000 2.667 110 V HA 0.167 4.286 4.120 -0.003 0.000 0.252 110 V C 1.486 177.691 176.094 0.186 0.000 1.065 110 V CA 1.365 63.526 62.300 -0.232 0.000 1.083 110 V CB -0.975 30.588 31.823 -0.435 0.000 0.692 110 V HN 0.975 nan 8.190 nan 0.000 0.468 111 G N 2.385 111.374 108.800 0.315 0.000 2.591 111 G HA2 -0.453 3.505 3.960 -0.003 0.000 0.298 111 G HA3 -0.453 3.505 3.960 -0.003 0.000 0.298 111 G C 1.024 175.977 174.900 0.088 0.000 1.195 111 G CA 1.397 46.629 45.100 0.221 0.000 0.989 111 G HN 0.986 nan 8.290 nan 0.000 0.551 112 R N 0.022 120.536 120.500 0.022 0.000 2.285 112 R HA 0.199 4.537 4.340 -0.003 0.000 0.213 112 R C 1.106 177.346 176.300 -0.100 0.000 1.068 112 R CA 1.380 57.458 56.100 -0.037 0.000 1.004 112 R CB -0.264 29.987 30.300 -0.081 0.000 0.873 112 R HN 0.463 nan 8.270 nan 0.000 0.467 113 V N 1.735 121.579 119.914 -0.118 0.000 1.973 113 V HA 0.140 4.258 4.120 -0.003 0.000 0.255 113 V C 0.103 176.207 176.094 0.017 0.000 1.605 113 V CA 0.053 62.244 62.300 -0.182 0.000 1.542 113 V CB -0.360 31.282 31.823 -0.301 0.000 1.504 113 V HN 0.419 nan 8.190 nan 0.000 0.505 114 S N 1.013 116.797 115.700 0.141 0.000 2.815 114 S HA 0.559 5.027 4.470 -0.003 0.000 0.296 114 S C -2.233 172.511 174.600 0.240 0.000 1.224 114 S CA -0.572 57.702 58.200 0.123 0.000 0.938 114 S CB 2.044 65.251 63.200 0.011 0.000 1.285 114 S HN 0.618 nan 8.310 nan 0.000 0.549 115 D N -0.557 119.979 120.400 0.227 0.000 2.706 115 D HA 0.338 4.977 4.640 -0.003 0.000 0.225 115 D C -2.396 173.913 176.300 0.015 0.000 1.241 115 D CA -1.260 52.797 54.000 0.094 0.000 0.784 115 D CB 2.000 42.798 40.800 -0.003 0.000 1.521 115 D HN 0.142 nan 8.370 nan 0.000 0.461 116 P HA -0.150 nan 4.420 nan 0.000 0.218 116 P C 1.645 178.869 177.300 -0.126 0.000 1.146 116 P CA 1.389 64.454 63.100 -0.060 0.000 0.820 116 P CB 0.070 31.735 31.700 -0.058 0.000 0.778 117 V N -4.869 114.888 119.914 -0.261 0.000 2.469 117 V HA -0.210 3.908 4.120 -0.003 0.000 0.251 117 V C 1.753 177.592 176.094 -0.426 0.000 1.064 117 V CA 1.835 63.887 62.300 -0.413 0.000 1.066 117 V CB -1.875 29.561 31.823 -0.646 0.000 0.667 117 V HN -0.050 nan 8.190 nan 0.000 0.461 118 F N 0.107 120.021 119.950 -0.059 0.000 2.754 118 F HA 0.456 4.981 4.527 -0.002 0.000 0.297 118 F C 1.514 177.273 175.800 -0.068 0.000 1.122 118 F CA 0.234 58.197 58.000 -0.060 0.000 1.400 118 F CB -0.110 38.838 39.000 -0.087 0.000 1.117 118 F HN 0.083 nan 8.300 nan 0.000 0.587 119 L N -0.279 120.979 121.223 0.059 0.000 3.202 119 L HA 0.252 4.590 4.340 -0.003 0.000 0.278 119 L C -0.290 176.566 176.870 -0.023 0.000 1.268 119 L CA -0.169 54.673 54.840 0.004 0.000 1.034 119 L CB -0.138 41.918 42.059 -0.005 0.000 1.407 119 L HN -0.062 nan 8.230 nan 0.000 0.581 120 D N 1.428 121.813 120.400 -0.024 0.000 2.837 120 D HA -0.211 4.428 4.640 -0.003 0.000 0.230 120 D C 1.353 177.631 176.300 -0.036 0.000 1.152 120 D CA 1.409 55.390 54.000 -0.031 0.000 0.736 120 D CB -0.969 39.815 40.800 -0.027 0.000 1.084 120 D HN 0.716 nan 8.370 nan 0.000 0.429 121 G N -1.671 107.103 108.800 -0.044 0.000 2.217 121 G HA2 -0.141 3.817 3.960 -0.003 0.000 0.246 121 G HA3 -0.141 3.817 3.960 -0.003 0.000 0.246 121 G C 0.553 175.435 174.900 -0.031 0.000 0.990 121 G CA 0.602 45.677 45.100 -0.041 0.000 0.627 121 G HN 1.233 nan 8.290 nan 0.000 0.522 122 A N 0.614 123.418 122.820 -0.028 0.000 2.386 122 A HA 0.684 5.003 4.320 -0.003 0.000 0.248 122 A C 0.830 178.406 177.584 -0.013 0.000 1.082 122 A CA -0.070 51.954 52.037 -0.022 0.000 0.789 122 A CB 0.295 19.279 19.000 -0.026 0.000 1.025 122 A HN 0.858 nan 8.150 nan 0.000 0.490 123 L N 2.052 123.271 121.223 -0.006 0.000 2.439 123 L HA 0.226 4.564 4.340 -0.003 0.000 0.269 123 L C -1.890 174.988 176.870 0.013 0.000 1.179 123 L CA -1.592 53.251 54.840 0.005 0.000 0.828 123 L CB 0.334 42.396 42.059 0.005 0.000 1.106 123 L HN 0.471 nan 8.230 nan 0.000 0.467 124 P HA 0.020 nan 4.420 nan 0.000 0.268 124 P C -0.790 176.531 177.300 0.035 0.000 1.208 124 P CA -0.211 62.910 63.100 0.036 0.000 0.777 124 P CB 0.610 32.340 31.700 0.050 0.000 0.875 125 V N -0.852 119.097 119.914 0.059 0.000 2.713 125 V HA 0.951 5.069 4.120 -0.003 0.000 0.307 125 V C -0.305 175.812 176.094 0.039 0.000 1.052 125 V CA -0.908 61.421 62.300 0.048 0.000 0.967 125 V CB 1.141 33.000 31.823 0.060 0.000 1.019 125 V HN 0.752 nan 8.190 nan 0.000 0.459 126 A N 3.319 126.141 122.820 0.004 0.000 2.581 126 A HA 0.892 5.211 4.320 -0.003 0.000 0.290 126 A C -2.554 174.935 177.584 -0.159 0.000 1.119 126 A CA -0.828 51.180 52.037 -0.048 0.000 0.670 126 A CB 1.187 20.141 19.000 -0.076 0.000 1.280 126 A HN 0.555 nan 8.150 nan 0.000 0.425 127 P HA 0.058 nan 4.420 nan 0.000 0.219 127 P C 0.439 177.514 177.300 -0.374 0.000 1.150 127 P CA 1.098 63.705 63.100 -0.821 0.000 0.814 127 P CB 0.308 31.101 31.700 -1.511 0.000 0.787 128 S N -1.314 114.231 115.700 -0.258 0.000 2.564 128 S HA 0.594 5.062 4.470 -0.003 0.000 0.274 128 S C -0.544 173.995 174.600 -0.101 0.000 1.124 128 S CA -0.539 57.570 58.200 -0.152 0.000 0.869 128 S CB 1.892 65.008 63.200 -0.140 0.000 1.105 128 S HN 0.081 nan 8.310 nan 0.000 0.472 129 A N 2.514 125.294 122.820 -0.067 0.000 3.037 129 A HA 0.539 4.857 4.320 -0.003 0.000 0.272 129 A C -0.299 177.263 177.584 -0.037 0.000 1.723 129 A CA -0.021 51.990 52.037 -0.043 0.000 1.413 129 A CB -1.098 17.884 19.000 -0.029 0.000 1.112 129 A HN 0.640 nan 8.150 nan 0.000 0.606 130 I N 1.307 121.851 120.570 -0.045 0.000 2.512 130 I HA 0.419 4.588 4.170 -0.003 0.000 0.287 130 I C 0.424 176.518 176.117 -0.037 0.000 1.069 130 I CA -0.592 60.686 61.300 -0.036 0.000 1.056 130 I CB 1.918 39.891 38.000 -0.046 0.000 1.229 130 I HN 0.417 nan 8.210 nan 0.000 0.429 131 A N 8.405 131.217 122.820 -0.014 0.000 2.401 131 A HA 0.650 4.969 4.320 -0.003 0.000 0.259 131 A C -2.211 175.350 177.584 -0.039 0.000 1.103 131 A CA -0.992 51.040 52.037 -0.007 0.000 0.789 131 A CB -0.266 18.768 19.000 0.057 0.000 1.035 131 A HN 0.473 nan 8.150 nan 0.000 0.491 132 P HA 0.300 nan 4.420 nan 0.000 0.274 132 P C 0.469 177.759 177.300 -0.017 0.000 1.256 132 P CA 0.032 63.044 63.100 -0.147 0.000 0.795 132 P CB 0.615 32.097 31.700 -0.363 0.000 1.038 133 G N -1.234 107.587 108.800 0.035 0.000 2.588 133 G HA2 0.509 4.468 3.960 -0.003 0.000 0.281 133 G HA3 0.509 4.468 3.960 -0.003 0.000 0.281 133 G C 0.285 175.319 174.900 0.223 0.000 1.236 133 G CA 0.020 45.192 45.100 0.119 0.000 0.969 133 G HN 0.847 nan 8.290 nan 0.000 0.504 134 G N -0.690 108.242 108.800 0.220 0.000 2.642 134 G HA2 0.065 4.023 3.960 -0.003 0.000 0.231 134 G HA3 0.065 4.023 3.960 -0.003 0.000 0.231 134 G C -0.062 175.010 174.900 0.288 0.000 1.338 134 G CA 0.245 45.498 45.100 0.255 0.000 0.883 134 G HN 1.828 nan 8.290 nan 0.000 0.570 135 H N -1.508 117.639 119.070 0.128 0.000 2.731 135 H HA 0.680 5.235 4.556 -0.003 0.000 0.368 135 H C -0.009 175.133 175.328 -0.309 0.000 1.168 135 H CA -0.442 55.547 56.048 -0.099 0.000 1.181 135 H CB 1.210 30.944 29.762 -0.047 0.000 1.743 135 H HN 0.695 nan 8.280 nan 0.000 0.547 136 V N 2.214 121.793 119.914 -0.559 0.000 2.485 136 V HA -0.025 4.093 4.120 -0.003 0.000 0.287 136 V C 0.643 176.650 176.094 -0.145 0.000 1.022 136 V CA -0.032 61.920 62.300 -0.581 0.000 1.067 136 V CB 0.488 32.068 31.823 -0.406 0.000 0.967 136 V HN 0.758 nan 8.190 nan 0.000 0.479 137 S N 6.018 121.675 115.700 -0.072 0.000 2.549 137 S HA 0.304 4.772 4.470 -0.003 0.000 0.286 137 S C 0.765 175.429 174.600 0.107 0.000 1.314 137 S CA -0.329 57.898 58.200 0.047 0.000 1.062 137 S CB -0.077 63.225 63.200 0.170 0.000 0.865 137 S HN 0.730 nan 8.310 nan 0.000 0.498 138 L N 0.957 122.263 121.223 0.138 0.000 3.865 138 L HA -0.163 4.176 4.340 -0.003 0.000 0.408 138 L C -0.661 176.290 176.870 0.134 0.000 1.209 138 L CA -0.222 54.697 54.840 0.133 0.000 0.940 138 L CB -2.077 40.052 42.059 0.117 0.000 1.971 138 L HN 0.357 nan 8.230 nan 0.000 0.899 139 V N -0.465 119.514 119.914 0.108 0.000 2.656 139 V HA 0.724 4.842 4.120 -0.003 0.000 0.307 139 V C 0.080 176.189 176.094 0.024 0.000 1.051 139 V CA -0.704 61.625 62.300 0.048 0.000 0.893 139 V CB 2.287 34.108 31.823 -0.003 0.000 0.999 139 V HN 0.275 nan 8.190 nan 0.000 0.426 140 R N 3.146 123.644 120.500 -0.002 0.000 2.795 140 R HA 0.771 5.109 4.340 -0.003 0.000 0.275 140 R C -2.627 173.655 176.300 -0.029 0.000 0.981 140 R CA -1.486 54.606 56.100 -0.013 0.000 0.917 140 R CB 0.431 30.729 30.300 -0.003 0.000 1.202 140 R HN 0.587 nan 8.270 nan 0.000 0.469 141 P HA 0.036 nan 4.420 nan 0.000 0.269 141 P C -0.763 176.512 177.300 -0.041 0.000 1.215 141 P CA -0.457 62.622 63.100 -0.034 0.000 0.780 141 P CB 0.589 32.269 31.700 -0.034 0.000 0.898 142 Q N 1.121 120.886 119.800 -0.059 0.000 2.310 142 Q HA 0.019 4.358 4.340 -0.003 0.000 0.315 142 Q C 0.483 176.453 176.000 -0.050 0.000 1.081 142 Q CA 0.918 56.674 55.803 -0.077 0.000 0.981 142 Q CB 0.247 28.861 28.738 -0.207 0.000 1.184 142 Q HN 0.457 nan 8.270 nan 0.000 0.389 143 R N 1.698 122.181 120.500 -0.027 0.000 2.739 143 R HA 0.654 4.992 4.340 -0.003 0.000 0.271 143 R C -3.028 173.249 176.300 -0.038 0.000 1.010 143 R CA -2.075 54.005 56.100 -0.034 0.000 0.897 143 R CB 0.864 31.132 30.300 -0.054 0.000 1.236 143 R HN 0.237 nan 8.270 nan 0.000 0.466 144 P HA 0.117 nan 4.420 nan 0.000 0.274 144 P C -1.049 176.224 177.300 -0.045 0.000 1.246 144 P CA -0.436 62.670 63.100 0.010 0.000 0.795 144 P CB 0.232 31.970 31.700 0.063 0.000 1.006 145 Y N -0.514 119.812 120.300 0.042 0.000 2.597 145 Y HA 0.135 4.683 4.550 -0.002 0.000 0.336 145 Y C 1.357 177.265 175.900 0.013 0.000 1.216 145 Y CA -0.175 57.939 58.100 0.023 0.000 1.463 145 Y CB -0.055 38.416 38.460 0.019 0.000 1.303 145 Y HN 0.124 nan 8.280 nan 0.000 0.576 146 V N -0.218 119.789 119.914 0.154 0.000 3.133 146 V HA 0.299 4.418 4.120 -0.003 0.000 0.305 146 V C 0.246 176.393 176.094 0.088 0.000 1.084 146 V CA -1.086 61.266 62.300 0.086 0.000 1.089 146 V CB 0.786 32.636 31.823 0.046 0.000 1.073 146 V HN 0.749 nan 8.190 nan 0.000 0.477 147 T N 5.452 120.036 114.554 0.050 0.000 2.834 147 T HA 0.323 4.671 4.350 -0.003 0.000 0.298 147 T C -1.986 172.726 174.700 0.020 0.000 0.966 147 T CA -0.145 61.973 62.100 0.030 0.000 1.141 147 T CB 0.544 69.421 68.868 0.016 0.000 0.905 147 T HN 0.864 nan 8.240 nan 0.000 0.535 148 P HA 0.249 nan 4.420 nan 0.000 0.277 148 P C -0.363 176.934 177.300 -0.005 0.000 1.271 148 P CA -0.831 62.272 63.100 0.006 0.000 0.795 148 P CB 0.919 32.615 31.700 -0.006 0.000 1.101 149 R N 0.357 120.855 120.500 -0.003 0.000 2.308 149 R HA 0.512 4.850 4.340 -0.003 0.000 0.305 149 R C -0.272 176.018 176.300 -0.016 0.000 1.053 149 R CA -0.550 55.545 56.100 -0.008 0.000 0.957 149 R CB 0.321 30.620 30.300 -0.003 0.000 1.022 149 R HN 0.550 nan 8.270 nan 0.000 0.461 150 A N 5.786 128.591 122.820 -0.025 0.000 2.454 150 A HA 0.199 4.517 4.320 -0.003 0.000 0.260 150 A C 0.129 177.703 177.584 -0.017 0.000 1.106 150 A CA -0.416 51.597 52.037 -0.039 0.000 0.780 150 A CB 0.158 19.131 19.000 -0.045 0.000 1.044 150 A HN 0.787 nan 8.150 nan 0.000 0.498 151 L N 2.936 124.157 121.223 -0.003 0.000 2.490 151 L HA 0.038 4.376 4.340 -0.003 0.000 0.274 151 L C 0.809 177.689 176.870 0.016 0.000 1.201 151 L CA 0.159 55.013 54.840 0.023 0.000 0.869 151 L CB 0.319 42.426 42.059 0.080 0.000 1.123 151 L HN 0.727 nan 8.230 nan 0.000 0.484 152 E N 2.352 122.555 120.200 0.006 0.000 2.373 152 E HA -0.020 4.329 4.350 -0.003 0.000 0.263 152 E C 0.706 177.308 176.600 0.003 0.000 1.073 152 E CA -0.664 55.740 56.400 0.007 0.000 0.894 152 E CB 1.182 30.883 29.700 0.002 0.000 1.008 152 E HN 0.417 nan 8.360 nan 0.000 0.420 153 L N 2.888 124.124 121.223 0.022 0.000 2.043 153 L HA -0.216 4.122 4.340 -0.003 0.000 0.212 153 L C 1.614 178.484 176.870 -0.001 0.000 1.075 153 L CA 2.281 57.141 54.840 0.032 0.000 0.752 153 L CB -0.639 41.468 42.059 0.080 0.000 0.891 153 L HN 0.649 nan 8.230 nan 0.000 0.432 154 D N -1.854 118.548 120.400 0.004 0.000 2.363 154 D HA -0.147 4.492 4.640 -0.003 0.000 0.226 154 D C 1.572 177.859 176.300 -0.021 0.000 1.020 154 D CA 0.663 54.662 54.000 -0.002 0.000 0.892 154 D CB -0.371 40.433 40.800 0.007 0.000 0.900 154 D HN 0.538 nan 8.370 nan 0.000 0.531 155 E N -0.204 119.976 120.200 -0.034 0.000 2.385 155 E HA 0.124 4.473 4.350 -0.003 0.000 0.194 155 E C 1.968 178.521 176.600 -0.078 0.000 1.013 155 E CA -0.080 56.294 56.400 -0.042 0.000 0.866 155 E CB 0.234 29.916 29.700 -0.030 0.000 0.832 155 E HN 0.352 nan 8.360 nan 0.000 0.500 156 I N 1.470 121.958 120.570 -0.138 0.000 2.252 156 I HA -0.161 4.007 4.170 -0.003 0.000 0.245 156 I C -0.816 175.199 176.117 -0.170 0.000 1.102 156 I CA 0.889 62.038 61.300 -0.252 0.000 1.385 156 I CB -1.143 36.529 38.000 -0.546 0.000 1.064 156 I HN 0.038 nan 8.210 nan 0.000 0.414 157 P HA -0.153 nan 4.420 nan 0.000 0.217 157 P C 1.564 178.852 177.300 -0.019 0.000 1.148 157 P CA 1.629 64.706 63.100 -0.038 0.000 0.828 157 P CB -0.252 31.442 31.700 -0.010 0.000 0.783 158 G N -0.598 108.187 108.800 -0.025 0.000 2.422 158 G HA2 -0.179 3.780 3.960 -0.003 0.000 0.218 158 G HA3 -0.179 3.780 3.960 -0.003 0.000 0.218 158 G C 1.579 176.487 174.900 0.012 0.000 1.140 158 G CA 0.432 45.528 45.100 -0.007 0.000 0.775 158 G HN 0.166 nan 8.290 nan 0.000 0.545 159 V N 0.526 120.439 119.914 -0.003 0.000 2.358 159 V HA -0.144 3.974 4.120 -0.003 0.000 0.246 159 V C 2.992 179.192 176.094 0.175 0.000 1.047 159 V CA 1.330 63.663 62.300 0.057 0.000 1.035 159 V CB -0.288 31.504 31.823 -0.052 0.000 0.658 159 V HN 0.236 nan 8.190 nan 0.000 0.452 160 V N 0.445 120.404 119.914 0.074 0.000 2.343 160 V HA -0.263 3.855 4.120 -0.003 0.000 0.247 160 V C 2.698 178.880 176.094 0.147 0.000 1.051 160 V CA 2.082 64.441 62.300 0.099 0.000 1.036 160 V CB -1.083 30.745 31.823 0.009 0.000 0.654 160 V HN 0.563 nan 8.190 nan 0.000 0.451 161 A N -0.290 122.585 122.820 0.091 0.000 1.969 161 A HA -0.037 4.281 4.320 -0.003 0.000 0.218 161 A C 2.378 180.016 177.584 0.090 0.000 1.169 161 A CA 1.849 53.933 52.037 0.078 0.000 0.635 161 A CB -0.576 18.451 19.000 0.044 0.000 0.810 161 A HN 0.561 nan 8.150 nan 0.000 0.445 162 A N -1.097 121.775 122.820 0.087 0.000 1.898 162 A HA 0.065 4.383 4.320 -0.003 0.000 0.216 162 A C 1.909 179.508 177.584 0.026 0.000 1.181 162 A CA 1.298 53.356 52.037 0.036 0.000 0.620 162 A CB -0.699 18.289 19.000 -0.020 0.000 0.819 162 A HN 0.433 nan 8.150 nan 0.000 0.442 163 F N -0.174 119.815 119.950 0.065 0.000 2.126 163 F HA -0.131 4.394 4.527 -0.002 0.000 0.299 163 F C 2.516 178.356 175.800 0.067 0.000 1.096 163 F CA 1.882 59.923 58.000 0.068 0.000 1.255 163 F CB -0.220 38.807 39.000 0.046 0.000 0.997 163 F HN 0.147 nan 8.300 nan 0.000 0.479 164 R N 0.193 120.834 120.500 0.235 0.000 2.073 164 R HA -0.200 4.138 4.340 -0.003 0.000 0.234 164 R C 2.408 178.780 176.300 0.121 0.000 1.134 164 R CA 1.612 57.805 56.100 0.156 0.000 0.952 164 R CB -0.227 30.137 30.300 0.108 0.000 0.850 164 R HN 0.087 nan 8.270 nan 0.000 0.433 165 R N -0.045 120.516 120.500 0.101 0.000 2.091 165 R HA -0.074 4.265 4.340 -0.003 0.000 0.238 165 R C 2.114 178.472 176.300 0.095 0.000 1.136 165 R CA 1.964 58.116 56.100 0.085 0.000 0.959 165 R CB -0.982 29.368 30.300 0.084 0.000 0.856 165 R HN 0.365 nan 8.270 nan 0.000 0.437 166 G N -0.411 108.447 108.800 0.096 0.000 2.446 166 G HA2 -0.274 3.685 3.960 -0.003 0.000 0.217 166 G HA3 -0.274 3.685 3.960 -0.003 0.000 0.217 166 G C 1.558 176.521 174.900 0.104 0.000 1.168 166 G CA 0.824 45.971 45.100 0.079 0.000 0.771 166 G HN 0.501 nan 8.290 nan 0.000 0.551 167 A N 0.584 123.505 122.820 0.168 0.000 1.930 167 A HA 0.017 4.335 4.320 -0.003 0.000 0.217 167 A C 2.190 179.937 177.584 0.273 0.000 1.175 167 A CA 2.208 54.431 52.037 0.310 0.000 0.627 167 A CB -0.322 18.888 19.000 0.351 0.000 0.815 167 A HN 0.406 nan 8.150 nan 0.000 0.443 168 E N 0.719 120.972 120.200 0.090 0.000 2.107 168 E HA -0.124 4.225 4.350 -0.003 0.000 0.191 168 E C 1.685 178.287 176.600 0.003 0.000 0.982 168 E CA 1.442 57.821 56.400 -0.035 0.000 0.809 168 E CB -0.336 29.345 29.700 -0.032 0.000 0.756 168 E HN 0.508 nan 8.360 nan 0.000 0.459 169 N N 0.521 119.259 118.700 0.064 0.000 2.120 169 N HA -0.117 4.622 4.740 -0.003 0.000 0.188 169 N C 1.580 177.171 175.510 0.135 0.000 1.024 169 N CA 1.568 54.669 53.050 0.086 0.000 0.852 169 N CB -0.633 37.910 38.487 0.094 0.000 1.003 169 N HN 0.308 nan 8.380 nan 0.000 0.424 170 A N 1.118 124.031 122.820 0.155 0.000 1.908 170 A HA -0.162 4.156 4.320 -0.003 0.000 0.218 170 A C 2.275 180.148 177.584 0.482 0.000 1.181 170 A CA 1.465 53.650 52.037 0.246 0.000 0.627 170 A CB -0.509 18.523 19.000 0.053 0.000 0.818 170 A HN 0.263 nan 8.150 nan 0.000 0.445 171 R N -0.488 120.182 120.500 0.282 0.000 2.073 171 R HA -0.090 4.249 4.340 -0.003 0.000 0.234 171 R C 2.307 178.597 176.300 -0.017 0.000 1.134 171 R CA 1.419 57.432 56.100 -0.143 0.000 0.952 171 R CB -0.414 29.397 30.300 -0.815 0.000 0.850 171 R HN 0.436 nan 8.270 nan 0.000 0.433 172 A N 0.495 123.315 122.820 0.000 0.000 1.972 172 A HA -0.072 4.246 4.320 -0.003 0.000 0.219 172 A C 2.163 179.796 177.584 0.081 0.000 1.169 172 A CA 1.587 53.638 52.037 0.023 0.000 0.635 172 A CB -0.529 18.485 19.000 0.023 0.000 0.810 172 A HN 0.525 nan 8.150 nan 0.000 0.446 173 A N -1.817 121.100 122.820 0.162 0.000 2.206 173 A HA 0.395 4.714 4.320 -0.003 0.000 0.211 173 A C 1.743 179.364 177.584 0.060 0.000 1.158 173 A CA 1.243 53.385 52.037 0.174 0.000 0.761 173 A CB -0.859 18.345 19.000 0.341 0.000 0.801 173 A HN 1.900 nan 8.150 nan 0.000 0.473 174 G N -2.037 106.830 108.800 0.112 0.000 2.130 174 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.216 174 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.216 174 G C -0.047 174.916 174.900 0.105 0.000 0.999 174 G CA -0.049 45.106 45.100 0.091 0.000 0.686 174 G HN 0.271 nan 8.290 nan 0.000 0.515 175 F N 0.593 120.656 119.950 0.189 0.000 2.440 175 F HA 0.352 4.877 4.527 -0.003 0.000 0.323 175 F C 1.614 177.537 175.800 0.205 0.000 1.192 175 F CA 0.220 58.293 58.000 0.122 0.000 1.252 175 F CB 0.574 39.543 39.000 -0.051 0.000 1.214 175 F HN -0.004 nan 8.300 nan 0.000 0.578 176 D N 0.360 120.925 120.400 0.275 0.000 2.333 176 D HA 0.197 4.836 4.640 -0.003 0.000 0.208 176 D C 0.850 176.870 176.300 -0.466 0.000 0.984 176 D CA 0.792 54.886 54.000 0.157 0.000 0.873 176 D CB 0.501 41.524 40.800 0.372 0.000 0.935 176 D HN 0.636 nan 8.370 nan 0.000 0.521 177 G N -0.181 107.774 108.800 -1.408 0.000 2.341 177 G HA2 0.414 4.373 3.960 -0.003 0.000 0.299 177 G HA3 0.414 4.373 3.960 -0.003 0.000 0.299 177 G C -1.615 171.982 174.900 -2.172 0.000 1.274 177 G CA -0.170 43.375 45.100 -2.592 0.000 0.853 177 G HN 0.081 nan 8.290 nan 0.000 0.493 178 V N -2.917 115.986 119.914 -1.685 0.000 3.007 178 V HA 0.888 5.007 4.120 -0.003 0.000 0.311 178 V C -0.779 175.136 176.094 -0.299 0.000 1.120 178 V CA -0.913 60.894 62.300 -0.821 0.000 0.980 178 V CB 2.015 33.424 31.823 -0.690 0.000 1.033 178 V HN 0.936 nan 8.190 nan 0.000 0.429 179 E N 1.687 121.808 120.200 -0.131 0.000 2.176 179 E HA 0.594 4.942 4.350 -0.003 0.000 0.267 179 E C -1.479 175.085 176.600 -0.060 0.000 0.893 179 E CA -0.710 55.655 56.400 -0.059 0.000 0.761 179 E CB 2.302 32.029 29.700 0.045 0.000 1.133 179 E HN 0.721 nan 8.360 nan 0.000 0.409 180 V N 4.620 124.511 119.914 -0.038 0.000 2.461 180 V HA 0.012 4.130 4.120 -0.003 0.000 0.275 180 V C 0.306 176.473 176.094 0.122 0.000 1.047 180 V CA -0.410 61.918 62.300 0.047 0.000 0.955 180 V CB 0.765 32.574 31.823 -0.024 0.000 0.988 180 V HN 0.602 nan 8.190 nan 0.000 0.471 181 H N 4.383 123.510 119.070 0.095 0.000 3.118 181 H HA 0.265 4.820 4.556 -0.003 0.000 0.266 181 H C 0.967 176.408 175.328 0.188 0.000 1.465 181 H CA -0.355 55.746 56.048 0.088 0.000 1.460 181 H CB 0.589 30.388 29.762 0.061 0.000 1.661 181 H HN 0.714 nan 8.280 nan 0.000 0.516 182 G N 2.783 111.826 108.800 0.405 0.000 3.609 182 G HA2 0.473 4.431 3.960 -0.003 0.000 0.280 182 G HA3 0.473 4.431 3.960 -0.003 0.000 0.280 182 G C 0.188 175.328 174.900 0.399 0.000 1.155 182 G CA 0.363 45.651 45.100 0.314 0.000 0.876 182 G HN 0.690 nan 8.290 nan 0.000 0.535 183 A N -0.224 122.936 122.820 0.567 0.000 2.475 183 A HA 0.672 4.990 4.320 -0.003 0.000 0.281 183 A C 0.668 178.529 177.584 0.463 0.000 1.263 183 A CA -0.533 51.821 52.037 0.528 0.000 0.776 183 A CB 0.616 20.002 19.000 0.643 0.000 1.347 183 A HN 0.167 nan 8.150 nan 0.000 0.443 184 N N -0.917 118.007 118.700 0.374 0.000 2.714 184 N HA -0.194 4.545 4.740 -0.003 0.000 0.250 184 N C 0.862 176.386 175.510 0.023 0.000 1.117 184 N CA 2.755 55.965 53.050 0.266 0.000 0.719 184 N CB -1.493 37.267 38.487 0.455 0.000 1.081 184 N HN 2.281 nan 8.380 nan 0.000 0.557 185 G N -2.485 106.336 108.800 0.035 0.000 2.143 185 G HA2 -0.382 3.577 3.960 -0.003 0.000 0.248 185 G HA3 -0.382 3.577 3.960 -0.003 0.000 0.248 185 G C 0.214 174.980 174.900 -0.223 0.000 0.991 185 G CA 0.682 45.743 45.100 -0.065 0.000 0.689 185 G HN 0.552 nan 8.290 nan 0.000 0.522 186 Y N -1.550 118.806 120.300 0.093 0.000 2.378 186 Y HA 0.532 5.080 4.550 -0.003 0.000 0.351 186 Y C 1.870 177.829 175.900 0.098 0.000 1.351 186 Y CA -0.425 57.710 58.100 0.059 0.000 1.616 186 Y CB -0.012 38.496 38.460 0.081 0.000 1.622 186 Y HN 0.031 nan 8.280 nan 0.000 0.568 187 L N 0.351 121.760 121.223 0.310 0.000 2.013 187 L HA -0.234 4.104 4.340 -0.003 0.000 0.212 187 L C 1.709 178.730 176.870 0.253 0.000 1.073 187 L CA 1.839 56.816 54.840 0.229 0.000 0.753 187 L CB -0.821 41.302 42.059 0.107 0.000 0.890 187 L HN 0.643 nan 8.230 nan 0.000 0.432 188 L N -1.172 120.168 121.223 0.194 0.000 2.156 188 L HA -0.127 4.212 4.340 -0.003 0.000 0.208 188 L C 2.128 179.105 176.870 0.179 0.000 1.095 188 L CA 1.090 56.001 54.840 0.117 0.000 0.770 188 L CB -0.677 41.396 42.059 0.022 0.000 0.914 188 L HN 0.290 nan 8.230 nan 0.000 0.439 189 D N -0.135 120.384 120.400 0.198 0.000 2.194 189 D HA -0.145 4.494 4.640 -0.003 0.000 0.204 189 D C 2.254 178.638 176.300 0.141 0.000 0.964 189 D CA 0.959 55.069 54.000 0.184 0.000 0.846 189 D CB 0.213 41.141 40.800 0.214 0.000 0.962 189 D HN 0.268 nan 8.370 nan 0.000 0.490 190 Q N -0.964 118.920 119.800 0.140 0.000 2.050 190 Q HA -0.122 4.216 4.340 -0.003 0.000 0.202 190 Q C 2.078 178.096 176.000 0.030 0.000 0.980 190 Q CA 1.179 57.018 55.803 0.060 0.000 0.840 190 Q CB -0.214 28.542 28.738 0.031 0.000 0.898 190 Q HN 0.334 nan 8.270 nan 0.000 0.424 191 F N 0.116 120.064 119.950 -0.004 0.000 2.134 191 F HA -0.222 4.303 4.527 -0.003 0.000 0.299 191 F C 2.073 177.863 175.800 -0.016 0.000 1.097 191 F CA 0.731 58.729 58.000 -0.004 0.000 1.264 191 F CB -0.176 38.826 39.000 0.004 0.000 1.001 191 F HN 0.127 nan 8.300 nan 0.000 0.479 192 L N -0.014 121.301 121.223 0.154 0.000 2.056 192 L HA -0.100 4.238 4.340 -0.003 0.000 0.207 192 L C 0.826 177.662 176.870 -0.056 0.000 1.078 192 L CA 1.641 56.489 54.840 0.014 0.000 0.749 192 L CB -0.590 41.442 42.059 -0.046 0.000 0.901 192 L HN 0.060 nan 8.230 nan 0.000 0.433 193 Q N 0.209 119.996 119.800 -0.023 0.000 2.241 193 Q HA 0.115 4.454 4.340 -0.003 0.000 0.254 193 Q C 0.276 176.262 176.000 -0.022 0.000 0.917 193 Q CA 0.168 55.958 55.803 -0.023 0.000 0.919 193 Q CB 1.270 30.033 28.738 0.042 0.000 1.237 193 Q HN 0.338 nan 8.270 nan 0.000 0.434 194 D N 0.546 120.933 120.400 -0.022 0.000 2.355 194 D HA -0.124 4.515 4.640 -0.003 0.000 0.218 194 D C 1.316 177.602 176.300 -0.024 0.000 1.004 194 D CA 0.666 54.648 54.000 -0.029 0.000 0.880 194 D CB 0.092 40.877 40.800 -0.026 0.000 0.911 194 D HN 0.421 nan 8.370 nan 0.000 0.528 195 S N -0.142 115.552 115.700 -0.010 0.000 2.406 195 S HA 0.071 4.539 4.470 -0.003 0.000 0.228 195 S C 2.029 176.611 174.600 -0.030 0.000 1.020 195 S CA 0.683 58.876 58.200 -0.011 0.000 0.965 195 S CB -0.235 62.969 63.200 0.006 0.000 0.798 195 S HN 0.363 nan 8.310 nan 0.000 0.488 196 A N 1.456 124.251 122.820 -0.043 0.000 2.014 196 A HA 0.332 4.650 4.320 -0.003 0.000 0.210 196 A C 1.071 178.580 177.584 -0.124 0.000 1.188 196 A CA 0.217 52.209 52.037 -0.074 0.000 0.731 196 A CB -0.263 18.698 19.000 -0.066 0.000 0.858 196 A HN 0.478 nan 8.150 nan 0.000 0.464 197 N N 0.853 119.475 118.700 -0.129 0.000 2.485 197 N HA 0.234 4.972 4.740 -0.003 0.000 0.243 197 N C -0.213 175.229 175.510 -0.114 0.000 0.987 197 N CA -0.254 52.686 53.050 -0.183 0.000 0.940 197 N CB 0.459 38.831 38.487 -0.193 0.000 1.122 197 N HN 0.236 nan 8.380 nan 0.000 0.509 198 R N 2.602 123.037 120.500 -0.109 0.000 2.633 198 R HA 0.240 4.578 4.340 -0.003 0.000 0.348 198 R C -0.030 176.234 176.300 -0.060 0.000 1.100 198 R CA -0.385 55.673 56.100 -0.069 0.000 1.068 198 R CB 0.614 30.881 30.300 -0.055 0.000 1.351 198 R HN 0.335 nan 8.270 nan 0.000 0.575 199 R N 0.868 121.325 120.500 -0.072 0.000 2.694 199 R HA 0.037 4.375 4.340 -0.003 0.000 0.268 199 R C 0.949 177.243 176.300 -0.010 0.000 1.061 199 R CA 0.566 56.644 56.100 -0.037 0.000 1.133 199 R CB 0.482 30.770 30.300 -0.020 0.000 1.020 199 R HN 0.046 nan 8.270 nan 0.000 0.475 200 T N -2.595 111.961 114.554 0.003 0.000 3.296 200 T HA 0.105 4.453 4.350 -0.003 0.000 0.285 200 T C -0.259 174.452 174.700 0.018 0.000 1.014 200 T CA -0.665 61.438 62.100 0.004 0.000 0.920 200 T CB -0.296 68.571 68.868 -0.002 0.000 1.143 200 T HN 0.645 nan 8.240 nan 0.000 0.522 201 D N 0.775 121.201 120.400 0.043 0.000 2.607 201 D HA 0.600 5.238 4.640 -0.003 0.000 0.253 201 D C 1.510 177.833 176.300 0.039 0.000 1.171 201 D CA -0.535 53.500 54.000 0.057 0.000 1.084 201 D CB 0.408 41.270 40.800 0.103 0.000 1.203 201 D HN 0.015 nan 8.370 nan 0.000 0.629 202 A N -1.610 121.221 122.820 0.019 0.000 2.209 202 A HA -0.003 4.315 4.320 -0.003 0.000 0.212 202 A C 0.758 178.150 177.584 -0.320 0.000 1.158 202 A CA 0.620 52.566 52.037 -0.152 0.000 0.742 202 A CB -0.938 17.928 19.000 -0.223 0.000 0.790 202 A HN 0.497 nan 8.150 nan 0.000 0.472 203 Y N -0.865 119.479 120.300 0.073 0.000 2.607 203 Y HA 0.439 4.987 4.550 -0.002 0.000 0.266 203 Y C 1.190 177.173 175.900 0.139 0.000 1.178 203 Y CA 0.070 58.257 58.100 0.146 0.000 1.226 203 Y CB 0.521 39.142 38.460 0.269 0.000 1.144 203 Y HN 0.302 nan 8.280 nan 0.000 0.528 204 G N -2.047 106.827 108.800 0.124 0.000 2.682 204 G HA2 0.517 4.475 3.960 -0.003 0.000 0.290 204 G HA3 0.517 4.475 3.960 -0.003 0.000 0.290 204 G C 0.186 175.087 174.900 0.000 0.000 1.425 204 G CA -0.170 44.960 45.100 0.050 0.000 0.807 204 G HN 0.342 nan 8.290 nan 0.000 0.482 205 G N -0.113 108.676 108.800 -0.018 0.000 3.675 205 G HA2 -0.003 3.956 3.960 -0.003 0.000 0.275 205 G HA3 -0.003 3.956 3.960 -0.003 0.000 0.275 205 G C 1.153 176.027 174.900 -0.043 0.000 1.648 205 G CA 0.887 45.969 45.100 -0.029 0.000 1.093 205 G HN 2.355 nan 8.290 nan 0.000 0.617 206 S N 0.875 116.541 115.700 -0.056 0.000 2.608 206 S HA 0.591 5.059 4.470 -0.003 0.000 0.261 206 S C 1.638 176.170 174.600 -0.113 0.000 1.314 206 S CA 0.233 58.385 58.200 -0.081 0.000 0.992 206 S CB 1.124 64.271 63.200 -0.088 0.000 0.935 206 S HN 0.799 nan 8.310 nan 0.000 0.564 207 I N 0.713 121.187 120.570 -0.161 0.000 2.252 207 I HA -0.152 4.017 4.170 -0.003 0.000 0.245 207 I C 2.836 178.743 176.117 -0.350 0.000 1.102 207 I CA 1.822 62.979 61.300 -0.239 0.000 1.385 207 I CB -0.475 37.363 38.000 -0.270 0.000 1.064 207 I HN 0.927 nan 8.210 nan 0.000 0.414 208 E N 1.333 121.296 120.200 -0.395 0.000 2.058 208 E HA -0.269 4.080 4.350 -0.003 0.000 0.194 208 E C 1.912 178.420 176.600 -0.153 0.000 0.997 208 E CA 1.692 57.903 56.400 -0.314 0.000 0.801 208 E CB 0.035 29.628 29.700 -0.179 0.000 0.746 208 E HN 0.406 nan 8.360 nan 0.000 0.450 209 N N 0.424 119.044 118.700 -0.133 0.000 2.120 209 N HA -0.117 4.622 4.740 -0.003 0.000 0.188 209 N C 1.785 177.281 175.510 -0.023 0.000 1.024 209 N CA 1.132 54.116 53.050 -0.110 0.000 0.852 209 N CB -0.242 38.192 38.487 -0.089 0.000 1.003 209 N HN 0.162 nan 8.380 nan 0.000 0.424 210 R N 0.280 120.773 120.500 -0.013 0.000 2.115 210 R HA 0.124 4.463 4.340 -0.003 0.000 0.230 210 R C 1.879 178.223 176.300 0.072 0.000 1.111 210 R CA 1.143 57.279 56.100 0.060 0.000 0.976 210 R CB -0.140 30.157 30.300 -0.006 0.000 0.870 210 R HN 0.166 nan 8.270 nan 0.000 0.445 211 A N 0.473 123.294 122.820 0.001 0.000 2.169 211 A HA -0.040 4.278 4.320 -0.003 0.000 0.212 211 A C 1.926 179.537 177.584 0.044 0.000 1.153 211 A CA 0.378 52.433 52.037 0.030 0.000 0.756 211 A CB -0.289 18.756 19.000 0.075 0.000 0.813 211 A HN 0.179 nan 8.150 nan 0.000 0.471 212 R N -0.695 119.823 120.500 0.030 0.000 2.103 212 R HA -0.186 4.153 4.340 -0.003 0.000 0.242 212 R C 1.955 178.296 176.300 0.069 0.000 1.142 212 R CA 1.864 57.969 56.100 0.008 0.000 0.960 212 R CB -0.368 29.834 30.300 -0.163 0.000 0.858 212 R HN 0.448 nan 8.270 nan 0.000 0.439 213 L N 0.786 122.061 121.223 0.086 0.000 2.005 213 L HA -0.144 4.195 4.340 -0.003 0.000 0.207 213 L C 2.145 178.919 176.870 -0.159 0.000 1.072 213 L CA 1.527 56.304 54.840 -0.104 0.000 0.744 213 L CB -0.886 40.853 42.059 -0.534 0.000 0.895 213 L HN 0.282 nan 8.230 nan 0.000 0.433 214 L N -0.560 120.589 121.223 -0.122 0.000 2.021 214 L HA -0.252 4.086 4.340 -0.003 0.000 0.215 214 L C 2.291 179.106 176.870 -0.091 0.000 1.074 214 L CA 2.059 56.830 54.840 -0.114 0.000 0.760 214 L CB -0.808 41.233 42.059 -0.031 0.000 0.889 214 L HN 0.336 nan 8.230 nan 0.000 0.433 215 L N -1.098 120.104 121.223 -0.036 0.000 2.156 215 L HA -0.122 4.216 4.340 -0.003 0.000 0.208 215 L C 2.488 179.343 176.870 -0.026 0.000 1.095 215 L CA 0.929 55.759 54.840 -0.016 0.000 0.770 215 L CB -0.534 41.536 42.059 0.018 0.000 0.914 215 L HN 0.355 nan 8.230 nan 0.000 0.439 216 E N -0.198 119.985 120.200 -0.029 0.000 2.110 216 E HA -0.176 4.173 4.350 -0.003 0.000 0.193 216 E C 2.275 178.840 176.600 -0.059 0.000 0.988 216 E CA 1.196 57.583 56.400 -0.022 0.000 0.804 216 E CB 0.036 29.742 29.700 0.010 0.000 0.745 216 E HN 0.281 nan 8.360 nan 0.000 0.458 217 V N 0.776 120.604 119.914 -0.143 0.000 2.358 217 V HA -0.203 3.916 4.120 -0.003 0.000 0.246 217 V C 2.346 178.373 176.094 -0.113 0.000 1.047 217 V CA 1.134 63.309 62.300 -0.209 0.000 1.035 217 V CB -0.270 31.219 31.823 -0.557 0.000 0.658 217 V HN 0.120 nan 8.190 nan 0.000 0.452 218 V N 0.338 120.194 119.914 -0.097 0.000 2.332 218 V HA -0.270 3.848 4.120 -0.003 0.000 0.248 218 V C 2.270 178.361 176.094 -0.005 0.000 1.055 218 V CA 2.214 64.486 62.300 -0.046 0.000 1.038 218 V CB -0.699 31.102 31.823 -0.036 0.000 0.651 218 V HN 0.556 nan 8.190 nan 0.000 0.450 219 D N 0.245 120.644 120.400 -0.002 0.000 2.144 219 D HA -0.084 4.555 4.640 -0.003 0.000 0.200 219 D C 2.227 178.548 176.300 0.035 0.000 0.978 219 D CA 1.516 55.527 54.000 0.019 0.000 0.833 219 D CB -0.290 40.519 40.800 0.015 0.000 0.961 219 D HN 0.443 nan 8.370 nan 0.000 0.470 220 A N 1.063 123.903 122.820 0.034 0.000 1.902 220 A HA -0.053 4.266 4.320 -0.003 0.000 0.217 220 A C 2.316 179.959 177.584 0.097 0.000 1.181 220 A CA 2.170 54.243 52.037 0.061 0.000 0.623 220 A CB -0.698 18.344 19.000 0.070 0.000 0.818 220 A HN 0.232 nan 8.150 nan 0.000 0.443 221 A N -0.094 122.789 122.820 0.104 0.000 1.902 221 A HA -0.080 4.239 4.320 -0.003 0.000 0.217 221 A C 2.125 179.830 177.584 0.201 0.000 1.181 221 A CA 1.502 53.642 52.037 0.171 0.000 0.623 221 A CB -0.615 18.435 19.000 0.083 0.000 0.818 221 A HN 0.490 nan 8.150 nan 0.000 0.443 222 I N 0.089 120.728 120.570 0.115 0.000 2.208 222 I HA -0.265 3.903 4.170 -0.003 0.000 0.245 222 I C 1.718 177.899 176.117 0.106 0.000 1.097 222 I CA 1.568 62.933 61.300 0.109 0.000 1.363 222 I CB -0.457 37.582 38.000 0.065 0.000 1.051 222 I HN 0.266 nan 8.210 nan 0.000 0.413 223 D N 0.241 120.688 120.400 0.079 0.000 2.178 223 D HA -0.126 4.513 4.640 -0.003 0.000 0.201 223 D C 2.250 178.568 176.300 0.031 0.000 0.980 223 D CA 1.082 55.112 54.000 0.049 0.000 0.842 223 D CB -0.135 40.688 40.800 0.037 0.000 0.948 223 D HN 0.204 nan 8.370 nan 0.000 0.472 224 V N -1.184 118.760 119.914 0.050 0.000 2.446 224 V HA -0.086 4.033 4.120 -0.003 0.000 0.244 224 V C 1.564 177.557 176.094 -0.169 0.000 1.039 224 V CA 0.988 63.245 62.300 -0.070 0.000 1.045 224 V CB -0.212 31.565 31.823 -0.077 0.000 0.681 224 V HN 0.217 nan 8.190 nan 0.000 0.459 225 W N 0.204 121.488 121.300 -0.027 0.000 2.993 225 W HA 0.405 5.064 4.660 -0.003 0.000 0.290 225 W C 1.090 177.596 176.519 -0.022 0.000 1.203 225 W CA 0.899 58.221 57.345 -0.040 0.000 1.582 225 W CB 0.285 29.700 29.460 -0.076 0.000 1.033 225 W HN 0.319 nan 8.180 nan 0.000 0.594 226 S N -0.169 115.648 115.700 0.195 0.000 3.377 226 S HA -0.204 4.265 4.470 -0.003 0.000 0.846 226 S C 0.641 175.325 174.600 0.141 0.000 1.142 226 S CA -0.214 58.068 58.200 0.136 0.000 1.051 226 S CB -1.061 62.206 63.200 0.112 0.000 0.704 226 S HN 0.714 nan 8.310 nan 0.000 0.286 227 A N 2.920 125.797 122.820 0.095 0.000 2.019 227 A HA 0.359 4.677 4.320 -0.003 0.000 0.219 227 A C 2.566 180.202 177.584 0.087 0.000 1.164 227 A CA 2.168 54.252 52.037 0.078 0.000 0.644 227 A CB -1.465 17.573 19.000 0.064 0.000 0.805 227 A HN 2.301 nan 8.150 nan 0.000 0.449 228 A N -0.851 122.032 122.820 0.105 0.000 2.076 228 A HA -0.095 4.224 4.320 -0.003 0.000 0.220 228 A C 1.742 179.424 177.584 0.164 0.000 1.160 228 A CA 1.154 53.267 52.037 0.126 0.000 0.653 228 A CB -0.156 18.915 19.000 0.118 0.000 0.801 228 A HN 0.313 nan 8.150 nan 0.000 0.455 229 R N -0.748 119.830 120.500 0.130 0.000 2.662 229 R HA 0.332 4.671 4.340 -0.003 0.000 0.396 229 R C -1.018 175.154 176.300 -0.214 0.000 1.096 229 R CA 0.070 56.188 56.100 0.030 0.000 1.081 229 R CB 0.066 30.377 30.300 0.018 0.000 1.382 229 R HN 0.223 nan 8.270 nan 0.000 0.580 230 V N 0.004 119.879 119.914 -0.066 0.000 2.487 230 V HA 0.710 4.829 4.120 -0.003 0.000 0.298 230 V C 0.490 176.441 176.094 -0.238 0.000 1.028 230 V CA -0.934 61.263 62.300 -0.171 0.000 0.860 230 V CB 1.919 33.677 31.823 -0.108 0.000 0.991 230 V HN 0.319 nan 8.190 nan 0.000 0.427 231 G N 2.860 111.405 108.800 -0.426 0.000 2.568 231 G HA2 0.749 4.708 3.960 -0.003 0.000 0.313 231 G HA3 0.749 4.708 3.960 -0.003 0.000 0.313 231 G C -1.468 173.140 174.900 -0.487 0.000 1.227 231 G CA -0.691 43.810 45.100 -0.999 0.000 0.979 231 G HN 0.564 nan 8.290 nan 0.000 0.486 232 V N -0.139 119.532 119.914 -0.405 0.000 2.760 232 V HA 0.373 4.492 4.120 -0.003 0.000 0.309 232 V C -1.171 174.916 176.094 -0.011 0.000 1.077 232 V CA -0.816 61.403 62.300 -0.136 0.000 0.910 232 V CB 1.949 33.708 31.823 -0.107 0.000 1.008 232 V HN 0.915 nan 8.190 nan 0.000 0.424 233 H N 4.020 123.064 119.070 -0.042 0.000 2.504 233 H HA 0.791 5.346 4.556 -0.002 0.000 0.322 233 H C -1.039 174.337 175.328 0.080 0.000 1.055 233 H CA -0.242 55.779 56.048 -0.044 0.000 1.231 233 H CB 1.068 30.671 29.762 -0.266 0.000 1.417 233 H HN 0.531 nan 8.280 nan 0.000 0.472 234 L N 3.277 124.549 121.223 0.081 0.000 2.371 234 L HA 0.701 5.040 4.340 -0.003 0.000 0.262 234 L C -0.715 176.228 176.870 0.122 0.000 1.006 234 L CA -1.189 53.773 54.840 0.203 0.000 0.818 234 L CB 2.243 44.432 42.059 0.217 0.000 1.354 234 L HN 0.708 nan 8.230 nan 0.000 0.415 235 A N 1.841 124.747 122.820 0.143 0.000 2.893 235 A HA 0.574 4.893 4.320 -0.003 0.000 0.333 235 A C -2.225 175.241 177.584 -0.197 0.000 1.152 235 A CA -1.138 50.927 52.037 0.047 0.000 0.782 235 A CB 0.388 19.498 19.000 0.185 0.000 1.108 235 A HN 0.482 nan 8.150 nan 0.000 0.469 236 P HA -0.165 nan 4.420 nan 0.000 0.218 236 P C 1.497 178.534 177.300 -0.439 0.000 1.148 236 P CA 1.090 63.548 63.100 -1.069 0.000 0.822 236 P CB 0.171 31.473 31.700 -0.664 0.000 0.784 237 R N -1.299 119.100 120.500 -0.169 0.000 2.189 237 R HA 0.044 4.383 4.340 -0.003 0.000 0.223 237 R C 1.167 177.484 176.300 0.027 0.000 1.092 237 R CA 0.979 57.055 56.100 -0.040 0.000 0.989 237 R CB -0.932 29.365 30.300 -0.006 0.000 0.876 237 R HN 0.206 nan 8.270 nan 0.000 0.457 238 G N 3.009 111.843 108.800 0.056 0.000 2.338 238 G HA2 -0.233 3.726 3.960 -0.003 0.000 0.296 238 G HA3 -0.233 3.726 3.960 -0.003 0.000 0.296 238 G C -0.176 174.762 174.900 0.065 0.000 1.040 238 G CA 0.738 45.902 45.100 0.106 0.000 1.004 238 G HN 0.550 nan 8.290 nan 0.000 0.509 239 D N -1.266 119.162 120.400 0.046 0.000 2.424 239 D HA 0.553 5.192 4.640 -0.003 0.000 0.220 239 D C 0.806 177.103 176.300 -0.005 0.000 1.150 239 D CA 0.388 54.403 54.000 0.026 0.000 0.831 239 D CB 0.365 41.182 40.800 0.028 0.000 0.981 239 D HN 1.044 nan 8.370 nan 0.000 0.500 240 A N -0.159 122.648 122.820 -0.022 0.000 2.414 240 A HA 0.613 4.931 4.320 -0.003 0.000 0.306 240 A C -0.541 176.961 177.584 -0.138 0.000 1.054 240 A CA -0.856 51.089 52.037 -0.152 0.000 0.724 240 A CB 0.423 19.325 19.000 -0.163 0.000 1.267 240 A HN 0.309 nan 8.150 nan 0.000 0.418 241 H N 0.750 119.790 119.070 -0.050 0.000 2.770 241 H HA -0.156 4.399 4.556 -0.003 0.000 0.309 241 H C 0.480 175.742 175.328 -0.110 0.000 1.206 241 H CA 0.998 56.971 56.048 -0.125 0.000 1.147 241 H CB -2.159 27.451 29.762 -0.253 0.000 1.422 241 H HN 1.203 nan 8.280 nan 0.000 0.420 242 T N -1.317 113.244 114.554 0.011 0.000 4.131 242 T HA -0.268 4.080 4.350 -0.003 0.000 0.347 242 T C 0.719 175.426 174.700 0.013 0.000 0.755 242 T CA 1.005 63.109 62.100 0.007 0.000 1.936 242 T CB -0.686 68.177 68.868 -0.008 0.000 1.861 242 T HN 0.404 nan 8.240 nan 0.000 0.863 243 M N 0.372 119.991 119.600 0.032 0.000 2.012 243 M HA 0.634 5.113 4.480 -0.003 0.000 0.248 243 M C 1.182 177.518 176.300 0.059 0.000 1.238 243 M CA 0.386 55.719 55.300 0.054 0.000 0.980 243 M CB 0.600 33.255 32.600 0.092 0.000 1.346 243 M HN 0.738 nan 8.290 nan 0.000 0.511 244 G N 1.023 109.872 108.800 0.082 0.000 2.226 244 G HA2 0.245 4.204 3.960 -0.003 0.000 0.257 244 G HA3 0.245 4.204 3.960 -0.003 0.000 0.257 244 G C -2.246 172.702 174.900 0.080 0.000 1.732 244 G CA -0.867 44.281 45.100 0.080 0.000 0.914 244 G HN 0.666 nan 8.290 nan 0.000 0.742 245 D N 0.146 120.607 120.400 0.101 0.000 2.738 245 D HA 0.615 5.254 4.640 -0.003 0.000 0.237 245 D C 1.532 177.872 176.300 0.067 0.000 1.123 245 D CA 0.160 54.208 54.000 0.080 0.000 0.856 245 D CB 1.845 42.709 40.800 0.107 0.000 1.552 245 D HN 0.518 nan 8.370 nan 0.000 0.480 246 S N 2.168 117.891 115.700 0.039 0.000 2.474 246 S HA -0.066 4.402 4.470 -0.003 0.000 0.235 246 S C 0.523 175.147 174.600 0.040 0.000 0.997 246 S CA 0.445 58.664 58.200 0.032 0.000 0.949 246 S CB 0.085 63.294 63.200 0.016 0.000 0.766 246 S HN 0.498 nan 8.310 nan 0.000 0.517 247 D N 0.654 121.085 120.400 0.051 0.000 2.527 247 D HA 0.353 4.992 4.640 -0.003 0.000 0.242 247 D C -2.552 173.812 176.300 0.106 0.000 1.285 247 D CA -1.826 52.212 54.000 0.063 0.000 0.886 247 D CB 1.468 42.291 40.800 0.039 0.000 1.402 247 D HN -0.086 nan 8.370 nan 0.000 0.528 248 P HA -0.101 nan 4.420 nan 0.000 0.215 248 P C 1.277 178.781 177.300 0.342 0.000 1.157 248 P CA 1.499 64.796 63.100 0.327 0.000 0.868 248 P CB 0.350 32.202 31.700 0.254 0.000 0.788 249 A N -0.160 122.774 122.820 0.190 0.000 1.933 249 A HA -0.134 4.184 4.320 -0.003 0.000 0.218 249 A C 2.315 179.988 177.584 0.149 0.000 1.175 249 A CA 2.202 54.332 52.037 0.155 0.000 0.628 249 A CB -1.583 17.468 19.000 0.086 0.000 0.814 249 A HN 0.209 nan 8.150 nan 0.000 0.444 250 A N -1.283 121.604 122.820 0.113 0.000 1.897 250 A HA -0.012 4.307 4.320 -0.003 0.000 0.215 250 A C 2.315 179.949 177.584 0.083 0.000 1.181 250 A CA 2.143 54.230 52.037 0.084 0.000 0.620 250 A CB -1.095 17.934 19.000 0.047 0.000 0.821 250 A HN 0.416 nan 8.150 nan 0.000 0.443 251 T N -0.546 114.039 114.554 0.051 0.000 2.701 251 T HA -0.062 4.286 4.350 -0.003 0.000 0.263 251 T C 1.491 176.136 174.700 -0.091 0.000 1.040 251 T CA 1.647 63.699 62.100 -0.081 0.000 1.147 251 T CB -0.421 68.309 68.868 -0.230 0.000 0.865 251 T HN 0.408 nan 8.240 nan 0.000 0.426 252 F N 1.288 121.296 119.950 0.096 0.000 2.367 252 F HA 0.198 4.723 4.527 -0.003 0.000 0.298 252 F C 2.563 178.426 175.800 0.105 0.000 1.094 252 F CA 0.388 58.450 58.000 0.103 0.000 1.409 252 F CB -0.853 38.203 39.000 0.094 0.000 1.064 252 F HN 0.212 nan 8.300 nan 0.000 0.528 253 G N -0.683 108.267 108.800 0.251 0.000 2.446 253 G HA2 -0.307 3.652 3.960 -0.003 0.000 0.217 253 G HA3 -0.307 3.652 3.960 -0.003 0.000 0.217 253 G C 1.725 176.715 174.900 0.150 0.000 1.168 253 G CA 1.123 46.325 45.100 0.171 0.000 0.771 253 G HN 0.407 nan 8.290 nan 0.000 0.551 254 H N 0.469 119.575 119.070 0.059 0.000 2.389 254 H HA -0.016 4.539 4.556 -0.003 0.000 0.299 254 H C 2.588 177.943 175.328 0.045 0.000 1.081 254 H CA 1.523 57.592 56.048 0.036 0.000 1.345 254 H CB -0.077 29.688 29.762 0.005 0.000 1.393 254 H HN 0.178 nan 8.280 nan 0.000 0.520 255 V N 1.433 121.438 119.914 0.152 0.000 2.295 255 V HA -0.243 3.875 4.120 -0.003 0.000 0.246 255 V C 3.120 179.258 176.094 0.073 0.000 1.049 255 V CA 1.630 63.990 62.300 0.100 0.000 1.024 255 V CB -1.243 30.647 31.823 0.112 0.000 0.648 255 V HN 0.584 nan 8.190 nan 0.000 0.447 256 A N -0.149 122.749 122.820 0.129 0.000 1.902 256 A HA -0.225 4.093 4.320 -0.003 0.000 0.217 256 A C 2.379 180.079 177.584 0.194 0.000 1.181 256 A CA 1.793 53.937 52.037 0.177 0.000 0.623 256 A CB -0.495 18.625 19.000 0.200 0.000 0.818 256 A HN 0.505 nan 8.150 nan 0.000 0.443 257 R N -0.610 119.933 120.500 0.072 0.000 2.081 257 R HA -0.097 4.241 4.340 -0.003 0.000 0.235 257 R C 2.032 178.321 176.300 -0.019 0.000 1.131 257 R CA 1.312 57.421 56.100 0.015 0.000 0.960 257 R CB -0.267 30.003 30.300 -0.051 0.000 0.856 257 R HN 0.505 nan 8.270 nan 0.000 0.436 258 E N 0.879 121.021 120.200 -0.098 0.000 2.072 258 E HA -0.128 4.220 4.350 -0.003 0.000 0.191 258 E C 2.153 178.771 176.600 0.030 0.000 0.985 258 E CA 0.925 57.271 56.400 -0.089 0.000 0.801 258 E CB -0.093 29.504 29.700 -0.172 0.000 0.750 258 E HN 0.344 nan 8.360 nan 0.000 0.452 259 L N 0.066 121.356 121.223 0.111 0.000 2.093 259 L HA -0.075 4.264 4.340 -0.003 0.000 0.208 259 L C 2.492 179.565 176.870 0.338 0.000 1.085 259 L CA 1.152 56.121 54.840 0.215 0.000 0.755 259 L CB -0.689 41.489 42.059 0.198 0.000 0.904 259 L HN 0.168 nan 8.230 nan 0.000 0.435 260 G N -0.210 108.781 108.800 0.318 0.000 2.418 260 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.217 260 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.217 260 G C 1.730 176.593 174.900 -0.060 0.000 1.158 260 G CA 0.342 45.427 45.100 -0.025 0.000 0.771 260 G HN 0.242 nan 8.290 nan 0.000 0.545 261 R N -0.033 120.460 120.500 -0.011 0.000 2.117 261 R HA -0.049 4.289 4.340 -0.003 0.000 0.243 261 R C 2.624 178.919 176.300 -0.008 0.000 1.143 261 R CA 1.294 57.382 56.100 -0.021 0.000 0.968 261 R CB -0.195 30.094 30.300 -0.019 0.000 0.863 261 R HN 0.264 nan 8.270 nan 0.000 0.444 262 R N 0.118 120.631 120.500 0.021 0.000 2.299 262 R HA 0.100 4.438 4.340 -0.003 0.000 0.197 262 R C -0.025 176.294 176.300 0.032 0.000 0.971 262 R CA -0.018 56.100 56.100 0.031 0.000 1.030 262 R CB 0.282 30.611 30.300 0.048 0.000 0.932 262 R HN 0.030 nan 8.270 nan 0.000 0.477 263 R N 0.731 121.236 120.500 0.009 0.000 3.422 263 R HA -0.167 4.171 4.340 -0.003 0.000 0.267 263 R C 0.073 176.408 176.300 0.058 0.000 1.074 263 R CA 0.767 56.858 56.100 -0.014 0.000 0.718 263 R CB -2.906 27.385 30.300 -0.015 0.000 1.157 263 R HN 0.500 nan 8.270 nan 0.000 0.440 264 I N -3.678 116.979 120.570 0.145 0.000 3.194 264 I HA 0.324 4.492 4.170 -0.003 0.000 0.283 264 I C 1.799 178.042 176.117 0.209 0.000 1.199 264 I CA 0.357 61.752 61.300 0.157 0.000 1.328 264 I CB 0.687 38.761 38.000 0.124 0.000 1.404 264 I HN 0.029 nan 8.210 nan 0.000 0.618 265 A N 3.333 126.225 122.820 0.120 0.000 1.877 265 A HA 0.079 4.397 4.320 -0.003 0.000 0.216 265 A C 0.671 178.455 177.584 0.333 0.000 1.186 265 A CA 1.905 54.054 52.037 0.187 0.000 0.620 265 A CB -0.744 18.375 19.000 0.199 0.000 0.822 265 A HN 0.957 nan 8.150 nan 0.000 0.443 266 F N -5.130 114.943 119.950 0.206 0.000 2.770 266 F HA 0.639 5.164 4.527 -0.003 0.000 0.313 266 F C -1.602 174.121 175.800 -0.129 0.000 1.154 266 F CA -1.802 56.280 58.000 0.137 0.000 0.923 266 F CB 0.778 39.777 39.000 -0.002 0.000 1.301 266 F HN -0.017 nan 8.300 nan 0.000 0.449 267 L N 3.144 124.321 121.223 -0.077 0.000 2.333 267 L HA 0.614 4.953 4.340 -0.003 0.000 0.280 267 L C -1.648 175.145 176.870 -0.128 0.000 1.004 267 L CA -0.806 53.865 54.840 -0.282 0.000 0.820 267 L CB 1.420 43.071 42.059 -0.680 0.000 1.247 267 L HN 0.734 nan 8.230 nan 0.000 0.416 268 F N 5.179 125.005 119.950 -0.206 0.000 2.411 268 F HA 0.761 5.287 4.527 -0.002 0.000 0.352 268 F C -0.169 175.291 175.800 -0.566 0.000 1.123 268 F CA -0.650 57.103 58.000 -0.411 0.000 1.044 268 F CB 1.192 40.022 39.000 -0.283 0.000 1.135 268 F HN 0.640 nan 8.300 nan 0.000 0.461 269 A N 7.312 129.851 122.820 -0.469 0.000 2.267 269 A HA 0.410 4.729 4.320 -0.003 0.000 0.315 269 A C -0.472 177.014 177.584 -0.164 0.000 1.297 269 A CA -0.854 51.030 52.037 -0.254 0.000 0.865 269 A CB 0.622 19.454 19.000 -0.279 0.000 1.165 269 A HN 0.901 nan 8.150 nan 0.000 0.513 270 R N 2.674 123.223 120.500 0.081 0.000 2.291 270 R HA 0.269 4.607 4.340 -0.003 0.000 0.333 270 R C -0.658 175.684 176.300 0.070 0.000 1.082 270 R CA 0.436 56.626 56.100 0.149 0.000 0.948 270 R CB 0.127 30.588 30.300 0.269 0.000 1.009 270 R HN 0.787 nan 8.270 nan 0.000 0.460 271 E N 3.628 123.872 120.200 0.074 0.000 2.558 271 E HA 0.034 4.383 4.350 -0.003 0.000 0.345 271 E C -1.277 175.436 176.600 0.189 0.000 0.928 271 E CA -0.399 56.062 56.400 0.101 0.000 0.774 271 E CB 0.903 30.651 29.700 0.081 0.000 1.462 271 E HN 0.761 nan 8.360 nan 0.000 0.387 272 S N 3.093 118.867 115.700 0.124 0.000 2.560 272 S HA 0.221 4.690 4.470 -0.003 0.000 0.284 272 S C 0.310 175.034 174.600 0.206 0.000 1.327 272 S CA -0.410 57.836 58.200 0.076 0.000 1.055 272 S CB 0.215 63.406 63.200 -0.015 0.000 0.868 272 S HN 0.284 nan 8.310 nan 0.000 0.506 273 F N 1.875 121.718 119.950 -0.178 0.000 2.450 273 F HA 0.635 5.160 4.527 -0.002 0.000 0.339 273 F C 1.390 177.123 175.800 -0.112 0.000 1.146 273 F CA 0.346 58.272 58.000 -0.124 0.000 1.267 273 F CB 0.540 39.433 39.000 -0.177 0.000 1.178 273 F HN 1.137 nan 8.300 nan 0.000 0.585 274 G N 0.258 109.086 108.800 0.047 0.000 2.336 274 G HA2 0.368 4.327 3.960 -0.003 0.000 0.300 274 G HA3 0.368 4.327 3.960 -0.003 0.000 0.300 274 G C 0.510 175.388 174.900 -0.038 0.000 1.375 274 G CA -0.318 44.781 45.100 -0.000 0.000 0.885 274 G HN 0.869 nan 8.290 nan 0.000 0.599 275 G N -0.302 108.481 108.800 -0.029 0.000 2.485 275 G HA2 -0.042 3.916 3.960 -0.003 0.000 0.221 275 G HA3 -0.042 3.916 3.960 -0.003 0.000 0.221 275 G C 1.044 175.923 174.900 -0.036 0.000 1.115 275 G CA 1.992 47.071 45.100 -0.035 0.000 0.751 275 G HN 1.057 nan 8.290 nan 0.000 0.567 276 D N 0.146 120.530 120.400 -0.027 0.000 2.388 276 D HA 0.401 5.039 4.640 -0.003 0.000 0.221 276 D C 0.963 177.245 176.300 -0.031 0.000 1.133 276 D CA 0.001 53.988 54.000 -0.022 0.000 0.831 276 D CB -0.154 40.642 40.800 -0.007 0.000 0.962 276 D HN 0.221 nan 8.370 nan 0.000 0.502 277 A N 1.222 124.009 122.820 -0.055 0.000 2.409 277 A HA 0.452 4.770 4.320 -0.003 0.000 0.262 277 A C 1.123 178.659 177.584 -0.081 0.000 1.113 277 A CA -0.605 51.391 52.037 -0.069 0.000 0.790 277 A CB -0.070 18.849 19.000 -0.136 0.000 1.046 277 A HN 0.433 nan 8.150 nan 0.000 0.496 278 I N 0.675 121.213 120.570 -0.055 0.000 3.974 278 I HA 0.315 4.483 4.170 -0.003 0.000 0.334 278 I C 1.299 177.393 176.117 -0.038 0.000 1.437 278 I CA 0.350 61.623 61.300 -0.045 0.000 1.113 278 I CB 0.107 38.099 38.000 -0.013 0.000 1.063 278 I HN 0.538 nan 8.210 nan 0.000 0.400 279 G N 1.383 110.170 108.800 -0.020 0.000 2.442 279 G HA2 -0.224 3.735 3.960 -0.003 0.000 0.219 279 G HA3 -0.224 3.735 3.960 -0.003 0.000 0.219 279 G C 1.514 176.315 174.900 -0.164 0.000 1.141 279 G CA 0.722 45.876 45.100 0.090 0.000 0.763 279 G HN 0.375 nan 8.290 nan 0.000 0.554 280 Q N 0.230 119.909 119.800 -0.202 0.000 2.119 280 Q HA -0.068 4.271 4.340 -0.003 0.000 0.201 280 Q C 2.718 178.588 176.000 -0.218 0.000 0.972 280 Q CA 1.191 56.842 55.803 -0.254 0.000 0.847 280 Q CB -0.472 28.147 28.738 -0.198 0.000 0.903 280 Q HN 0.668 nan 8.270 nan 0.000 0.433 281 Q N 0.203 119.921 119.800 -0.136 0.000 2.030 281 Q HA -0.114 4.224 4.340 -0.003 0.000 0.204 281 Q C 2.298 178.251 176.000 -0.077 0.000 0.986 281 Q CA 1.140 56.895 55.803 -0.080 0.000 0.843 281 Q CB -0.211 28.511 28.738 -0.028 0.000 0.904 281 Q HN 0.323 nan 8.270 nan 0.000 0.420 282 L N 0.685 121.863 121.223 -0.075 0.000 2.046 282 L HA -0.208 4.130 4.340 -0.003 0.000 0.208 282 L C 2.591 179.373 176.870 -0.147 0.000 1.077 282 L CA 1.313 56.146 54.840 -0.011 0.000 0.747 282 L CB -0.569 41.573 42.059 0.139 0.000 0.896 282 L HN 0.234 nan 8.230 nan 0.000 0.432 283 K N 0.548 120.579 120.400 -0.614 0.000 2.057 283 K HA -0.199 4.119 4.320 -0.003 0.000 0.207 283 K C 2.162 178.633 176.600 -0.214 0.000 1.049 283 K CA 1.460 57.308 56.287 -0.731 0.000 0.931 283 K CB -0.065 31.794 32.500 -1.068 0.000 0.714 283 K HN 0.261 nan 8.250 nan 0.000 0.440 284 A N 1.022 123.737 122.820 -0.174 0.000 1.877 284 A HA -0.082 4.236 4.320 -0.003 0.000 0.216 284 A C 2.335 179.901 177.584 -0.029 0.000 1.186 284 A CA 1.826 53.812 52.037 -0.085 0.000 0.620 284 A CB -0.821 18.132 19.000 -0.078 0.000 0.822 284 A HN 0.487 nan 8.150 nan 0.000 0.443 285 A N -1.408 121.414 122.820 0.004 0.000 1.933 285 A HA -0.035 4.284 4.320 -0.003 0.000 0.218 285 A C 2.036 179.688 177.584 0.114 0.000 1.175 285 A CA 1.722 53.790 52.037 0.052 0.000 0.628 285 A CB -0.619 18.426 19.000 0.074 0.000 0.814 285 A HN 0.659 nan 8.150 nan 0.000 0.444 286 F N 0.064 120.005 119.950 -0.014 0.000 2.149 286 F HA 0.267 4.793 4.527 -0.002 0.000 0.294 286 F C 1.942 177.750 175.800 0.014 0.000 1.095 286 F CA 1.468 59.483 58.000 0.025 0.000 1.276 286 F CB -0.459 38.599 39.000 0.098 0.000 1.023 286 F HN 0.433 nan 8.300 nan 0.000 0.480 287 G N -0.151 108.580 108.800 -0.115 0.000 2.184 287 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.264 287 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.264 287 G C 0.702 175.422 174.900 -0.300 0.000 0.975 287 G CA 0.426 45.403 45.100 -0.206 0.000 0.642 287 G HN 0.927 nan 8.290 nan 0.000 0.536 288 G N -0.556 107.905 108.800 -0.566 0.000 2.938 288 G HA2 0.726 4.685 3.960 -0.003 0.000 0.258 288 G HA3 0.726 4.685 3.960 -0.003 0.000 0.258 288 G C -2.805 172.258 174.900 0.273 0.000 1.356 288 G CA -1.114 43.814 45.100 -0.286 0.000 1.052 288 G HN 0.131 nan 8.290 nan 0.000 0.550 289 P HA 0.167 nan 4.420 nan 0.000 0.263 289 P C -1.252 176.326 177.300 0.463 0.000 1.195 289 P CA 0.359 63.663 63.100 0.340 0.000 0.762 289 P CB 0.266 32.120 31.700 0.257 0.000 0.799 290 F N 5.091 125.117 119.950 0.127 0.000 2.427 290 F HA 0.474 5.000 4.527 -0.001 0.000 0.348 290 F C -0.385 175.341 175.800 -0.123 0.000 1.125 290 F CA -0.861 57.162 58.000 0.039 0.000 0.989 290 F CB 0.653 39.690 39.000 0.061 0.000 1.165 290 F HN 0.134 nan 8.300 nan 0.000 0.442 291 I N 7.424 127.637 120.570 -0.596 0.000 2.321 291 I HA 0.370 4.538 4.170 -0.003 0.000 0.291 291 I C -0.329 175.155 176.117 -1.054 0.000 0.998 291 I CA -0.994 59.861 61.300 -0.741 0.000 1.227 291 I CB 1.280 38.811 38.000 -0.782 0.000 1.368 291 I HN 0.384 nan 8.210 nan 0.000 0.466 292 V N 3.545 122.913 119.914 -0.909 0.000 3.096 292 V HA 0.679 4.798 4.120 -0.003 0.000 0.319 292 V C -0.366 175.049 176.094 -1.132 0.000 1.082 292 V CA -0.498 61.277 62.300 -0.875 0.000 1.022 292 V CB 1.863 33.309 31.823 -0.627 0.000 1.103 292 V HN 0.966 nan 8.190 nan 0.000 0.455 293 N N 0.757 118.982 118.700 -0.790 0.000 3.171 293 N HA 0.244 4.982 4.740 -0.003 0.000 0.239 293 N C -1.481 174.026 175.510 -0.006 0.000 1.275 293 N CA 0.171 52.897 53.050 -0.541 0.000 0.920 293 N CB 2.292 40.437 38.487 -0.571 0.000 1.554 293 N HN 1.211 nan 8.380 nan 0.000 0.504 294 E N 1.849 122.102 120.200 0.089 0.000 7.511 294 E HA -0.085 4.264 4.350 -0.003 0.000 0.215 294 E C -0.985 175.636 176.600 0.035 0.000 0.871 294 E CA 0.090 56.546 56.400 0.094 0.000 1.658 294 E CB -0.642 29.110 29.700 0.087 0.000 0.896 294 E HN 0.843 nan 8.360 nan 0.000 0.262 295 N N 1.040 119.754 118.700 0.023 0.000 2.753 295 N HA -0.216 4.523 4.740 -0.003 0.000 0.251 295 N C -0.567 174.862 175.510 -0.135 0.000 1.097 295 N CA 1.633 54.660 53.050 -0.038 0.000 0.786 295 N CB -1.609 36.827 38.487 -0.084 0.000 1.137 295 N HN 0.312 nan 8.380 nan 0.000 0.566 296 F N 1.207 121.043 119.950 -0.191 0.000 2.471 296 F HA 0.227 4.753 4.527 -0.003 0.000 0.353 296 F C 1.854 177.751 175.800 0.163 0.000 1.113 296 F CA 0.269 58.144 58.000 -0.209 0.000 1.262 296 F CB 0.679 39.312 39.000 -0.611 0.000 1.146 296 F HN -0.007 nan 8.300 nan 0.000 0.578 297 T N 0.895 115.607 114.554 0.264 0.000 2.938 297 T HA 0.339 4.687 4.350 -0.003 0.000 0.285 297 T C 0.763 175.578 174.700 0.191 0.000 1.028 297 T CA -0.884 61.374 62.100 0.263 0.000 1.005 297 T CB 1.175 70.091 68.868 0.079 0.000 1.157 297 T HN 0.505 nan 8.240 nan 0.000 0.550 298 L N 0.782 121.903 121.223 -0.171 0.000 2.012 298 L HA -0.002 4.336 4.340 -0.003 0.000 0.210 298 L C 2.121 178.877 176.870 -0.191 0.000 1.073 298 L CA 2.482 57.010 54.840 -0.520 0.000 0.748 298 L CB -1.278 40.297 42.059 -0.807 0.000 0.891 298 L HN 0.973 nan 8.230 nan 0.000 0.431 299 D N -1.298 119.040 120.400 -0.104 0.000 2.097 299 D HA -0.213 4.425 4.640 -0.003 0.000 0.195 299 D C 2.302 178.597 176.300 -0.008 0.000 0.989 299 D CA 1.608 55.579 54.000 -0.047 0.000 0.827 299 D CB -0.058 40.724 40.800 -0.031 0.000 0.966 299 D HN 0.578 nan 8.370 nan 0.000 0.456 300 S N -0.313 115.393 115.700 0.011 0.000 2.383 300 S HA -0.041 4.428 4.470 -0.003 0.000 0.227 300 S C 2.199 176.875 174.600 0.126 0.000 1.026 300 S CA 0.967 59.180 58.200 0.021 0.000 0.981 300 S CB -0.470 62.666 63.200 -0.107 0.000 0.818 300 S HN 0.314 nan 8.310 nan 0.000 0.472 301 A N 1.391 124.320 122.820 0.182 0.000 1.902 301 A HA -0.093 4.225 4.320 -0.003 0.000 0.217 301 A C 2.317 179.892 177.584 -0.016 0.000 1.181 301 A CA 1.837 53.912 52.037 0.064 0.000 0.623 301 A CB -1.038 18.015 19.000 0.088 0.000 0.818 301 A HN 0.553 nan 8.150 nan 0.000 0.443 302 Q N -0.233 119.558 119.800 -0.016 0.000 2.167 302 Q HA 0.035 4.374 4.340 -0.003 0.000 0.202 302 Q C 2.003 178.007 176.000 0.007 0.000 0.970 302 Q CA 1.788 57.574 55.803 -0.027 0.000 0.855 302 Q CB -0.598 28.116 28.738 -0.039 0.000 0.911 302 Q HN 0.566 nan 8.270 nan 0.000 0.438 303 A N 0.147 122.984 122.820 0.030 0.000 1.902 303 A HA -0.055 4.263 4.320 -0.003 0.000 0.217 303 A C 2.266 179.903 177.584 0.089 0.000 1.181 303 A CA 1.820 53.889 52.037 0.054 0.000 0.623 303 A CB -1.121 17.914 19.000 0.060 0.000 0.818 303 A HN 0.481 nan 8.150 nan 0.000 0.443 304 A N -0.888 122.005 122.820 0.123 0.000 1.972 304 A HA 0.040 4.358 4.320 -0.003 0.000 0.219 304 A C 2.002 179.643 177.584 0.095 0.000 1.169 304 A CA 1.621 53.771 52.037 0.188 0.000 0.635 304 A CB -0.452 18.673 19.000 0.208 0.000 0.810 304 A HN 0.386 nan 8.150 nan 0.000 0.446 305 L N 0.159 121.397 121.223 0.024 0.000 2.027 305 L HA -0.122 4.216 4.340 -0.003 0.000 0.206 305 L C 1.863 178.745 176.870 0.021 0.000 1.074 305 L CA 1.900 56.743 54.840 0.005 0.000 0.745 305 L CB -0.794 41.247 42.059 -0.030 0.000 0.898 305 L HN 0.300 nan 8.230 nan 0.000 0.433 306 D N -0.295 120.120 120.400 0.024 0.000 2.182 306 D HA -0.143 4.495 4.640 -0.003 0.000 0.201 306 D C 1.953 178.271 176.300 0.029 0.000 0.986 306 D CA 1.463 55.477 54.000 0.025 0.000 0.847 306 D CB -0.000 40.814 40.800 0.024 0.000 0.942 306 D HN 0.353 nan 8.370 nan 0.000 0.467 307 A N -0.351 122.495 122.820 0.044 0.000 2.275 307 A HA 0.423 4.742 4.320 -0.003 0.000 0.212 307 A C 1.675 179.279 177.584 0.032 0.000 1.201 307 A CA 0.824 52.885 52.037 0.040 0.000 0.843 307 A CB -0.185 18.849 19.000 0.056 0.000 0.873 307 A HN 0.204 nan 8.150 nan 0.000 0.492 308 G N -0.511 108.310 108.800 0.035 0.000 2.225 308 G HA2 -0.324 3.634 3.960 -0.003 0.000 0.267 308 G HA3 -0.324 3.634 3.960 -0.003 0.000 0.267 308 G C 0.517 175.438 174.900 0.035 0.000 1.024 308 G CA 0.739 45.855 45.100 0.027 0.000 0.784 308 G HN 0.603 nan 8.290 nan 0.000 0.507 309 Q N -0.891 118.957 119.800 0.081 0.000 2.392 309 Q HA 0.565 4.903 4.340 -0.003 0.000 0.203 309 Q C 1.024 177.155 176.000 0.218 0.000 0.917 309 Q CA 0.909 56.785 55.803 0.122 0.000 0.939 309 Q CB 0.595 29.454 28.738 0.202 0.000 1.063 309 Q HN 1.168 nan 8.270 nan 0.000 0.516 310 A N -0.489 122.427 122.820 0.159 0.000 2.605 310 A HA 0.292 4.610 4.320 -0.003 0.000 0.294 310 A C -1.064 176.548 177.584 0.047 0.000 1.062 310 A CA -0.706 51.419 52.037 0.147 0.000 0.682 310 A CB 0.984 20.000 19.000 0.028 0.000 1.278 310 A HN 0.007 nan 8.150 nan 0.000 0.410 311 D N 0.035 120.452 120.400 0.028 0.000 2.379 311 D HA 0.412 5.050 4.640 -0.003 0.000 0.218 311 D C 0.756 177.000 176.300 -0.094 0.000 1.006 311 D CA 1.594 55.587 54.000 -0.011 0.000 0.893 311 D CB 0.939 41.760 40.800 0.035 0.000 1.019 311 D HN 0.888 nan 8.370 nan 0.000 0.503 312 A N 0.175 122.885 122.820 -0.183 0.000 2.593 312 A HA 0.606 4.924 4.320 -0.003 0.000 0.290 312 A C -1.401 175.923 177.584 -0.433 0.000 1.126 312 A CA -0.515 51.366 52.037 -0.260 0.000 0.695 312 A CB 1.810 20.656 19.000 -0.258 0.000 1.290 312 A HN -0.108 nan 8.150 nan 0.000 0.414 313 V N 0.280 119.911 119.914 -0.472 0.000 2.656 313 V HA 0.743 4.862 4.120 -0.003 0.000 0.307 313 V C 0.270 175.944 176.094 -0.701 0.000 1.051 313 V CA -0.199 61.603 62.300 -0.831 0.000 0.893 313 V CB 1.572 32.732 31.823 -1.105 0.000 0.999 313 V HN 1.517 nan 8.190 nan 0.000 0.426 314 A N 4.643 126.970 122.820 -0.821 0.000 2.317 314 A HA 0.814 5.132 4.320 -0.003 0.000 0.327 314 A C -1.024 176.309 177.584 -0.419 0.000 1.178 314 A CA -0.544 51.260 52.037 -0.388 0.000 0.817 314 A CB 0.939 19.776 19.000 -0.271 0.000 1.189 314 A HN 0.801 nan 8.150 nan 0.000 0.489 315 W N 1.755 123.125 121.300 0.118 0.000 2.632 315 W HA 0.480 5.139 4.660 -0.002 0.000 0.328 315 W C 0.551 177.193 176.519 0.205 0.000 1.044 315 W CA -0.215 57.220 57.345 0.150 0.000 1.225 315 W CB 2.479 31.999 29.460 0.100 0.000 1.396 315 W HN 0.933 nan 8.180 nan 0.000 0.499 316 G N 1.917 110.900 108.800 0.306 0.000 2.728 316 G HA2 -0.064 3.894 3.960 -0.003 0.000 0.223 316 G HA3 -0.064 3.894 3.960 -0.003 0.000 0.223 316 G C 1.190 176.153 174.900 0.105 0.000 1.379 316 G CA 0.171 45.378 45.100 0.178 0.000 0.870 316 G HN 0.349 nan 8.290 nan 0.000 0.591 317 K N 0.185 120.618 120.400 0.055 0.000 2.103 317 K HA 0.083 4.402 4.320 -0.003 0.000 0.207 317 K C 2.496 179.084 176.600 -0.020 0.000 1.048 317 K CA 0.685 56.950 56.287 -0.037 0.000 0.930 317 K CB -0.297 32.239 32.500 0.060 0.000 0.716 317 K HN 0.185 nan 8.250 nan 0.000 0.444 318 L N -0.349 120.903 121.223 0.048 0.000 2.191 318 L HA -0.144 4.194 4.340 -0.003 0.000 0.212 318 L C 2.098 178.808 176.870 -0.266 0.000 1.103 318 L CA 1.126 55.894 54.840 -0.121 0.000 0.769 318 L CB -0.264 41.691 42.059 -0.175 0.000 0.908 318 L HN 0.127 nan 8.230 nan 0.000 0.438 319 F N -0.271 119.597 119.950 -0.137 0.000 2.367 319 F HA -0.106 4.419 4.527 -0.003 0.000 0.298 319 F C 2.283 177.931 175.800 -0.254 0.000 1.094 319 F CA 0.579 58.459 58.000 -0.200 0.000 1.409 319 F CB 0.034 38.961 39.000 -0.122 0.000 1.064 319 F HN -0.058 nan 8.300 nan 0.000 0.528 320 I N -0.249 120.278 120.570 -0.072 0.000 2.163 320 I HA -0.345 3.824 4.170 -0.003 0.000 0.243 320 I C 2.483 178.271 176.117 -0.548 0.000 1.085 320 I CA 1.589 62.776 61.300 -0.188 0.000 1.347 320 I CB -0.575 37.261 38.000 -0.273 0.000 1.044 320 I HN 0.083 nan 8.210 nan 0.000 0.408 321 A N -0.436 121.973 122.820 -0.686 0.000 2.132 321 A HA 0.087 4.405 4.320 -0.003 0.000 0.213 321 A C 0.690 177.930 177.584 -0.574 0.000 1.154 321 A CA 0.372 51.714 52.037 -1.159 0.000 0.753 321 A CB -0.100 18.542 19.000 -0.596 0.000 0.826 321 A HN 0.400 nan 8.150 nan 0.000 0.469 322 N N 0.345 118.814 118.700 -0.385 0.000 2.617 322 N HA 0.193 4.931 4.740 -0.003 0.000 0.263 322 N C -2.562 172.808 175.510 -0.234 0.000 1.074 322 N CA -1.133 51.737 53.050 -0.299 0.000 0.841 322 N CB 2.014 40.251 38.487 -0.417 0.000 1.221 322 N HN 0.058 nan 8.380 nan 0.000 0.529 323 P HA -0.114 nan 4.420 nan 0.000 0.217 323 P C 0.237 177.516 177.300 -0.035 0.000 1.150 323 P CA 1.410 64.474 63.100 -0.060 0.000 0.832 323 P CB 0.174 31.834 31.700 -0.066 0.000 0.787 324 D N -0.397 119.936 120.400 -0.111 0.000 2.889 324 D HA 0.029 4.667 4.640 -0.003 0.000 0.243 324 D C 1.416 177.553 176.300 -0.272 0.000 1.270 324 D CA -0.651 53.275 54.000 -0.123 0.000 0.838 324 D CB -0.612 40.132 40.800 -0.094 0.000 1.040 324 D HN -0.042 nan 8.370 nan 0.000 0.480 325 L N 0.763 121.697 121.223 -0.482 0.000 2.013 325 L HA -0.059 4.279 4.340 -0.003 0.000 0.212 325 L C -0.814 175.577 176.870 -0.799 0.000 1.073 325 L CA 2.159 56.441 54.840 -0.931 0.000 0.753 325 L CB -1.178 39.879 42.059 -1.671 0.000 0.890 325 L HN 0.057 nan 8.230 nan 0.000 0.432 326 P HA -0.207 nan 4.420 nan 0.000 0.215 326 P C 1.559 178.881 177.300 0.036 0.000 1.157 326 P CA 1.678 64.728 63.100 -0.082 0.000 0.868 326 P CB -0.128 31.619 31.700 0.077 0.000 0.788 327 R N -0.054 120.418 120.500 -0.047 0.000 2.096 327 R HA -0.073 4.266 4.340 -0.003 0.000 0.235 327 R C 2.288 178.552 176.300 -0.060 0.000 1.127 327 R CA 1.344 57.418 56.100 -0.043 0.000 0.968 327 R CB -0.289 29.977 30.300 -0.057 0.000 0.861 327 R HN 0.014 nan 8.270 nan 0.000 0.440 328 R N -0.699 119.716 120.500 -0.141 0.000 2.096 328 R HA -0.122 4.216 4.340 -0.003 0.000 0.235 328 R C 2.055 178.365 176.300 0.016 0.000 1.127 328 R CA 1.487 57.510 56.100 -0.127 0.000 0.968 328 R CB -0.289 29.859 30.300 -0.253 0.000 0.861 328 R HN 0.201 nan 8.270 nan 0.000 0.440 329 F N 1.221 121.113 119.950 -0.096 0.000 2.113 329 F HA -0.126 4.400 4.527 -0.002 0.000 0.297 329 F C 2.347 178.217 175.800 0.115 0.000 1.103 329 F CA 1.075 59.064 58.000 -0.019 0.000 1.248 329 F CB -0.765 38.201 39.000 -0.056 0.000 0.999 329 F HN -0.128 nan 8.300 nan 0.000 0.475 330 K N 0.833 121.403 120.400 0.283 0.000 2.063 330 K HA -0.119 4.199 4.320 -0.003 0.000 0.208 330 K C 1.631 178.175 176.600 -0.092 0.000 1.048 330 K CA 1.431 57.632 56.287 -0.144 0.000 0.928 330 K CB -0.521 31.738 32.500 -0.401 0.000 0.713 330 K HN 0.291 nan 8.250 nan 0.000 0.442 331 L N 0.790 121.993 121.223 -0.034 0.000 2.611 331 L HA 0.119 4.457 4.340 -0.003 0.000 0.229 331 L C -0.180 176.688 176.870 -0.002 0.000 1.137 331 L CA -0.171 54.649 54.840 -0.034 0.000 0.901 331 L CB -0.447 41.589 42.059 -0.039 0.000 1.098 331 L HN 0.262 nan 8.230 nan 0.000 0.456 332 N N 0.932 119.653 118.700 0.036 0.000 2.714 332 N HA -0.175 4.563 4.740 -0.003 0.000 0.252 332 N C 0.286 175.812 175.510 0.026 0.000 1.014 332 N CA 0.789 53.864 53.050 0.043 0.000 0.735 332 N CB -0.687 37.812 38.487 0.020 0.000 0.924 332 N HN 0.447 nan 8.380 nan 0.000 0.540 333 A N 0.383 123.216 122.820 0.023 0.000 2.272 333 A HA 0.620 4.939 4.320 -0.003 0.000 0.275 333 A C -1.624 175.959 177.584 -0.002 0.000 1.096 333 A CA -0.841 51.194 52.037 -0.003 0.000 0.822 333 A CB 0.134 19.117 19.000 -0.028 0.000 1.088 333 A HN 0.058 nan 8.150 nan 0.000 0.495 334 P HA 0.403 nan 4.420 nan 0.000 0.269 334 P C -1.127 176.153 177.300 -0.033 0.000 1.215 334 P CA 0.093 63.186 63.100 -0.012 0.000 0.780 334 P CB 0.323 32.018 31.700 -0.009 0.000 0.898 335 L N 2.241 123.445 121.223 -0.031 0.000 2.346 335 L HA 0.379 4.718 4.340 -0.003 0.000 0.276 335 L C 0.401 177.249 176.870 -0.037 0.000 1.006 335 L CA -1.045 53.755 54.840 -0.066 0.000 0.817 335 L CB 1.298 43.315 42.059 -0.070 0.000 1.272 335 L HN 0.280 nan 8.230 nan 0.000 0.421 336 N N 1.569 120.242 118.700 -0.045 0.000 2.441 336 N HA 0.019 4.757 4.740 -0.003 0.000 0.251 336 N C -0.295 175.227 175.510 0.020 0.000 1.242 336 N CA -0.065 52.995 53.050 0.017 0.000 0.898 336 N CB 0.761 39.284 38.487 0.059 0.000 1.100 336 N HN 0.496 nan 8.380 nan 0.000 0.443 337 E N 1.733 121.981 120.200 0.081 0.000 2.259 337 E HA 0.309 4.657 4.350 -0.003 0.000 0.281 337 E C -2.336 174.363 176.600 0.165 0.000 1.027 337 E CA -1.722 54.734 56.400 0.093 0.000 0.838 337 E CB 0.530 30.282 29.700 0.087 0.000 1.066 337 E HN 0.278 nan 8.360 nan 0.000 0.401 338 P HA 0.088 nan 4.420 nan 0.000 0.271 338 P C -0.955 176.508 177.300 0.273 0.000 1.220 338 P CA -0.153 63.106 63.100 0.264 0.000 0.768 338 P CB 0.448 32.346 31.700 0.330 0.000 0.848 339 N N 2.427 121.339 118.700 0.353 0.000 2.645 339 N HA 0.237 4.975 4.740 -0.003 0.000 0.233 339 N C 1.124 176.436 175.510 -0.330 0.000 1.058 339 N CA -0.279 52.814 53.050 0.072 0.000 0.942 339 N CB 0.200 38.750 38.487 0.106 0.000 1.210 339 N HN 0.281 nan 8.380 nan 0.000 0.512 340 A N 3.453 125.845 122.820 -0.714 0.000 1.948 340 A HA -0.174 4.144 4.320 -0.003 0.000 0.220 340 A C 2.062 179.190 177.584 -0.761 0.000 1.177 340 A CA 1.978 53.150 52.037 -1.442 0.000 0.636 340 A CB -0.778 17.813 19.000 -0.681 0.000 0.815 340 A HN 0.679 nan 8.150 nan 0.000 0.449 341 A N -0.653 121.973 122.820 -0.323 0.000 2.070 341 A HA -0.027 4.291 4.320 -0.003 0.000 0.220 341 A C 2.070 179.629 177.584 -0.041 0.000 1.159 341 A CA 2.118 54.085 52.037 -0.117 0.000 0.656 341 A CB -0.899 18.066 19.000 -0.058 0.000 0.800 341 A HN 0.839 nan 8.150 nan 0.000 0.453 342 T N -4.615 109.915 114.554 -0.040 0.000 3.092 342 T HA 0.249 4.597 4.350 -0.003 0.000 0.258 342 T C 1.086 175.905 174.700 0.198 0.000 1.031 342 T CA -0.243 61.905 62.100 0.079 0.000 0.925 342 T CB -0.389 68.525 68.868 0.076 0.000 1.036 342 T HN 0.121 nan 8.240 nan 0.000 0.544 343 F N 1.755 121.680 119.950 -0.043 0.000 2.154 343 F HA 0.052 4.577 4.527 -0.002 0.000 0.301 343 F C 1.325 176.887 175.800 -0.398 0.000 1.087 343 F CA 0.424 58.259 58.000 -0.276 0.000 1.274 343 F CB -0.842 37.837 39.000 -0.535 0.000 1.009 343 F HN 0.370 nan 8.300 nan 0.000 0.485 344 Y N -1.556 118.888 120.300 0.240 0.000 2.500 344 Y HA 0.573 5.122 4.550 -0.003 0.000 0.246 344 Y C 1.196 177.134 175.900 0.065 0.000 1.146 344 Y CA -0.253 57.923 58.100 0.127 0.000 1.230 344 Y CB -0.423 38.126 38.460 0.148 0.000 1.214 344 Y HN -0.102 nan 8.280 nan 0.000 0.526 345 A N 0.755 123.674 122.820 0.165 0.000 2.325 345 A HA 0.228 4.547 4.320 -0.003 0.000 0.260 345 A C 0.186 177.777 177.584 0.013 0.000 1.133 345 A CA -0.256 51.833 52.037 0.088 0.000 0.801 345 A CB 0.248 19.287 19.000 0.065 0.000 1.092 345 A HN 0.391 nan 8.150 nan 0.000 0.504 346 Q N -0.764 119.033 119.800 -0.006 0.000 2.230 346 Q HA 0.498 4.837 4.340 -0.003 0.000 0.248 346 Q C 0.551 176.506 176.000 -0.075 0.000 0.915 346 Q CA 0.363 56.133 55.803 -0.054 0.000 0.900 346 Q CB 1.422 30.144 28.738 -0.026 0.000 1.229 346 Q HN 1.573 nan 8.270 nan 0.000 0.439 347 G N 1.321 110.042 108.800 -0.132 0.000 2.681 347 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.220 347 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.220 347 G C 0.346 175.218 174.900 -0.046 0.000 1.353 347 G CA -0.024 45.022 45.100 -0.090 0.000 0.872 347 G HN 0.754 nan 8.290 nan 0.000 0.557 348 E N -0.859 119.361 120.200 0.033 0.000 2.171 348 E HA -0.058 4.290 4.350 -0.003 0.000 0.197 348 E C 1.417 178.079 176.600 0.105 0.000 0.997 348 E CA 1.212 57.679 56.400 0.111 0.000 0.810 348 E CB -0.129 29.613 29.700 0.069 0.000 0.738 348 E HN 0.426 nan 8.360 nan 0.000 0.467 349 V N 1.164 121.104 119.914 0.042 0.000 2.485 349 V HA 0.120 4.238 4.120 -0.003 0.000 0.287 349 V C 1.227 177.339 176.094 0.030 0.000 1.022 349 V CA 0.888 63.194 62.300 0.010 0.000 1.067 349 V CB 0.354 32.173 31.823 -0.007 0.000 0.967 349 V HN 0.519 nan 8.190 nan 0.000 0.479 350 G N 3.493 112.271 108.800 -0.037 0.000 2.179 350 G HA2 -0.347 3.612 3.960 -0.003 0.000 0.257 350 G HA3 -0.347 3.612 3.960 -0.003 0.000 0.257 350 G C 0.169 175.235 174.900 0.276 0.000 1.010 350 G CA 1.181 46.278 45.100 -0.007 0.000 0.736 350 G HN 0.903 nan 8.290 nan 0.000 0.513 351 Y N -0.751 119.593 120.300 0.073 0.000 3.011 351 Y HA 0.219 4.767 4.550 -0.003 0.000 0.231 351 Y C 2.427 178.469 175.900 0.237 0.000 0.983 351 Y CA 1.138 59.300 58.100 0.103 0.000 1.429 351 Y CB 0.564 38.990 38.460 -0.057 0.000 1.491 351 Y HN 0.420 nan 8.280 nan 0.000 0.444 352 T N -2.164 112.491 114.554 0.168 0.000 3.129 352 T HA 0.109 4.458 4.350 -0.003 0.000 0.267 352 T C 0.262 175.009 174.700 0.079 0.000 1.018 352 T CA 0.298 62.450 62.100 0.088 0.000 0.903 352 T CB 0.023 68.938 68.868 0.078 0.000 1.067 352 T HN 0.465 nan 8.240 nan 0.000 0.549 353 D N -0.244 120.185 120.400 0.048 0.000 2.369 353 D HA 0.028 4.666 4.640 -0.003 0.000 0.211 353 D C -0.340 175.924 176.300 -0.060 0.000 1.077 353 D CA -0.566 53.420 54.000 -0.025 0.000 0.842 353 D CB -0.586 40.172 40.800 -0.069 0.000 0.947 353 D HN 0.400 nan 8.370 nan 0.000 0.509 354 Y N 2.355 122.669 120.300 0.024 0.000 2.402 354 Y HA 0.283 4.831 4.550 -0.002 0.000 0.333 354 Y C -1.677 174.216 175.900 -0.012 0.000 1.076 354 Y CA -1.789 56.317 58.100 0.010 0.000 1.299 354 Y CB 0.528 38.994 38.460 0.011 0.000 1.197 354 Y HN -0.043 nan 8.280 nan 0.000 0.517 355 P HA 0.295 nan 4.420 nan 0.000 0.284 355 P C -0.727 176.592 177.300 0.031 0.000 1.253 355 P CA -0.364 62.770 63.100 0.056 0.000 0.800 355 P CB 1.393 33.113 31.700 0.034 0.000 0.961 356 A N 3.863 126.686 122.820 0.005 0.000 2.296 356 A HA 0.355 4.674 4.320 -0.003 0.000 0.264 356 A C 0.500 178.070 177.584 -0.024 0.000 1.097 356 A CA -0.666 51.357 52.037 -0.023 0.000 0.811 356 A CB -0.253 18.731 19.000 -0.027 0.000 1.072 356 A HN 0.590 nan 8.150 nan 0.000 0.495 357 L N 0.314 121.515 121.223 -0.038 0.000 2.483 357 L HA 0.369 4.707 4.340 -0.003 0.000 0.276 357 L C 1.425 178.281 176.870 -0.023 0.000 1.213 357 L CA 0.110 54.931 54.840 -0.032 0.000 0.843 357 L CB -0.005 42.029 42.059 -0.042 0.000 1.107 357 L HN 1.028 nan 8.230 nan 0.000 0.487 358 E N 0.000 120.189 120.200 -0.018 0.000 2.725 358 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 358 E CA 0.000 56.391 56.400 -0.015 0.000 0.976 358 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 358 E HN 0.000 nan 8.360 nan 0.000 0.440