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 1osn_1_A DATA FIRST_RESID 8 DATA SEQUENCE VKMGVLRIYL DGAYGIGKTT AAEEFLHHFA ITPNRILLIG EPLSYWRNLA DATA SEQUENCE GEDAICGIYG TQTRRLNGDV SPEDAQRLTA HFQSLFCSPH AIMHAKISAL DATA SEQUENCE MDTSTSDLVQ VNKEPYKIML SDRHPIASTI CFPLSRYLVG DMSPAALPGL DATA SEQUENCE LFTLPAEPPG TNLVVCTVSL PSHLSRVSXX XXXXETVNLP FVMVLRNVYI DATA SEQUENCE MLINTIIFLK TNNWHAGWNT LSFCNDVFKQ KLQKSECIKL REVPGIEDTL DATA SEQUENCE FAVLKLPELC GEFGNILPLW AWGMETLSNC LRSMSPFVLS LEQTPQHAAQ DATA SEQUENCE ELKTLLPQMT PANMSSGAWN ILKELVNAVQ D 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 V HA 0.000 nan 4.120 nan 0.000 0.244 8 V C 0.000 176.102 176.094 0.013 0.000 1.182 8 V CA 0.000 62.308 62.300 0.014 0.000 1.235 8 V CB 0.000 31.835 31.823 0.021 0.000 1.184 9 K N 1.709 122.119 120.400 0.016 0.000 2.552 9 K HA 0.336 4.656 4.320 -0.000 0.000 0.276 9 K C -0.151 176.451 176.600 0.004 0.000 0.960 9 K CA 1.620 57.918 56.287 0.018 0.000 0.961 9 K CB 0.163 32.675 32.500 0.021 0.000 0.902 9 K HN 0.754 nan 8.250 nan 0.000 0.515 10 M N -0.843 118.759 119.600 0.003 0.000 2.389 10 M HA 0.319 4.799 4.480 -0.000 0.000 0.291 10 M C -0.673 175.624 176.300 -0.005 0.000 1.128 10 M CA -0.823 54.465 55.300 -0.021 0.000 0.942 10 M CB 1.655 34.211 32.600 -0.073 0.000 1.783 10 M HN 0.456 nan 8.290 nan 0.000 0.501 11 G N 2.428 111.238 108.800 0.016 0.000 2.339 11 G HA2 0.578 4.538 3.960 -0.000 0.000 0.287 11 G HA3 0.578 4.538 3.960 -0.000 0.000 0.287 11 G C -0.142 174.785 174.900 0.044 0.000 1.163 11 G CA -0.399 44.730 45.100 0.048 0.000 0.872 11 G HN 1.138 nan 8.290 nan 0.000 0.464 12 V N 0.925 120.858 119.914 0.032 0.000 3.211 12 V HA 0.799 4.919 4.120 -0.000 0.000 0.319 12 V C -0.475 175.617 176.094 -0.002 0.000 1.096 12 V CA -1.332 60.981 62.300 0.023 0.000 1.029 12 V CB 1.882 33.777 31.823 0.120 0.000 1.137 12 V HN 0.447 nan 8.190 nan 0.000 0.453 13 L N 2.027 123.247 121.223 -0.005 0.000 2.442 13 L HA 0.538 4.878 4.340 -0.000 0.000 0.261 13 L C 0.180 177.048 176.870 -0.003 0.000 1.000 13 L CA -0.249 54.548 54.840 -0.071 0.000 0.882 13 L CB 0.930 42.859 42.059 -0.217 0.000 1.207 13 L HN 0.687 nan 8.230 nan 0.000 0.443 14 R N 5.057 125.564 120.500 0.011 0.000 2.296 14 R HA 0.474 4.814 4.340 -0.000 0.000 0.323 14 R C -0.836 175.410 176.300 -0.090 0.000 1.067 14 R CA 0.074 56.144 56.100 -0.050 0.000 0.946 14 R CB 0.476 30.795 30.300 0.032 0.000 0.991 14 R HN 0.502 nan 8.270 nan 0.000 0.448 15 I N 4.338 124.785 120.570 -0.203 0.000 2.439 15 I HA 0.213 4.383 4.170 -0.000 0.000 0.283 15 I C -0.943 175.056 176.117 -0.197 0.000 1.023 15 I CA -0.875 60.359 61.300 -0.111 0.000 1.100 15 I CB 1.199 39.169 38.000 -0.049 0.000 1.238 15 I HN 0.413 nan 8.210 nan 0.000 0.445 16 Y N 6.144 126.534 120.300 0.149 0.000 2.335 16 Y HA 0.434 4.984 4.550 -0.000 0.000 0.339 16 Y C -0.241 175.725 175.900 0.111 0.000 0.987 16 Y CA -0.741 57.456 58.100 0.163 0.000 1.140 16 Y CB 1.461 40.079 38.460 0.263 0.000 1.173 16 Y HN 0.389 nan 8.280 nan 0.000 0.486 17 L N 4.977 126.327 121.223 0.211 0.000 2.262 17 L HA 0.410 4.750 4.340 -0.000 0.000 0.288 17 L C -0.449 176.480 176.870 0.098 0.000 1.035 17 L CA 0.127 55.031 54.840 0.105 0.000 0.820 17 L CB 0.037 42.124 42.059 0.047 0.000 1.204 17 L HN 0.695 nan 8.230 nan 0.000 0.424 18 D N 2.136 122.554 120.400 0.029 0.000 2.723 18 D HA 0.847 5.487 4.640 -0.000 0.000 0.247 18 D C -0.201 175.915 176.300 -0.307 0.000 1.134 18 D CA 0.386 54.349 54.000 -0.062 0.000 1.099 18 D CB 2.413 43.214 40.800 0.001 0.000 1.287 18 D HN 0.645 nan 8.370 nan 0.000 0.634 19 G N -0.699 107.653 108.800 -0.747 0.000 2.315 19 G HA2 0.386 4.346 3.960 -0.000 0.000 0.296 19 G HA3 0.386 4.346 3.960 -0.000 0.000 0.296 19 G C -0.744 173.836 174.900 -0.533 0.000 1.289 19 G CA -0.057 44.486 45.100 -0.930 0.000 0.996 19 G HN 0.628 nan 8.290 nan 0.000 0.487 20 A N -0.794 121.858 122.820 -0.280 0.000 2.325 20 A HA 0.697 5.017 4.320 -0.000 0.000 0.260 20 A C 0.204 177.818 177.584 0.050 0.000 1.133 20 A CA 0.899 52.897 52.037 -0.066 0.000 0.801 20 A CB -0.055 18.867 19.000 -0.129 0.000 1.092 20 A HN 2.128 nan 8.150 nan 0.000 0.504 21 Y N -3.008 117.381 120.300 0.149 0.000 2.453 21 Y HA 0.561 5.110 4.550 -0.000 0.000 0.326 21 Y C 1.079 177.053 175.900 0.123 0.000 1.186 21 Y CA -0.972 57.242 58.100 0.189 0.000 1.200 21 Y CB 0.675 39.335 38.460 0.334 0.000 1.247 21 Y HN 1.610 nan 8.280 nan 0.000 0.482 22 G N 1.956 110.962 108.800 0.344 0.000 2.257 22 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.267 22 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.267 22 G C 0.897 175.811 174.900 0.023 0.000 0.984 22 G CA 0.804 46.032 45.100 0.213 0.000 0.626 22 G HN 1.251 nan 8.290 nan 0.000 0.540 23 I N -1.863 118.633 120.570 -0.123 0.000 2.423 23 I HA 0.316 4.486 4.170 -0.000 0.000 0.254 23 I C 1.945 178.005 176.117 -0.094 0.000 1.151 23 I CA 1.516 62.679 61.300 -0.229 0.000 1.421 23 I CB -0.418 37.385 38.000 -0.329 0.000 1.079 23 I HN 1.432 nan 8.210 nan 0.000 0.431 24 G N 1.943 110.725 108.800 -0.030 0.000 2.141 24 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.164 24 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.164 24 G C 0.562 175.456 174.900 -0.010 0.000 1.009 24 G CA 0.171 45.265 45.100 -0.009 0.000 0.677 24 G HN 0.643 nan 8.290 nan 0.000 0.508 25 K N -0.421 119.975 120.400 -0.007 0.000 2.555 25 K HA 0.213 4.533 4.320 -0.000 0.000 0.193 25 K C 1.643 178.255 176.600 0.020 0.000 1.032 25 K CA 1.320 57.603 56.287 -0.006 0.000 1.004 25 K CB 0.049 32.543 32.500 -0.011 0.000 0.804 25 K HN 0.222 nan 8.250 nan 0.000 0.496 26 T N 0.427 115.000 114.554 0.031 0.000 3.071 26 T HA -0.018 4.332 4.350 -0.000 0.000 0.239 26 T C 1.601 176.308 174.700 0.013 0.000 0.997 26 T CA 0.865 62.987 62.100 0.036 0.000 1.134 26 T CB 0.112 69.013 68.868 0.054 0.000 0.928 26 T HN 0.268 nan 8.240 nan 0.000 0.453 27 T N 1.819 116.376 114.554 0.006 0.000 3.072 27 T HA 0.218 4.568 4.350 -0.000 0.000 0.266 27 T C 1.936 176.625 174.700 -0.019 0.000 1.127 27 T CA 0.783 62.875 62.100 -0.012 0.000 1.107 27 T CB -0.127 68.736 68.868 -0.008 0.000 0.910 27 T HN 0.336 nan 8.240 nan 0.000 0.513 28 A N 0.488 123.303 122.820 -0.009 0.000 2.197 28 A HA 0.721 5.041 4.320 -0.000 0.000 0.210 28 A C 2.283 179.870 177.584 0.004 0.000 1.180 28 A CA 0.562 52.593 52.037 -0.008 0.000 0.846 28 A CB -0.246 18.745 19.000 -0.015 0.000 0.884 28 A HN 0.441 nan 8.150 nan 0.000 0.487 29 A N -0.212 122.616 122.820 0.012 0.000 2.095 29 A HA 0.139 4.459 4.320 -0.000 0.000 0.212 29 A C 1.720 179.354 177.584 0.083 0.000 1.162 29 A CA 0.998 53.061 52.037 0.044 0.000 0.753 29 A CB -0.105 18.917 19.000 0.037 0.000 0.840 29 A HN 0.507 nan 8.150 nan 0.000 0.468 30 E N -0.518 119.691 120.200 0.015 0.000 2.102 30 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 30 E C 1.546 178.086 176.600 -0.101 0.000 0.971 30 E CA 0.373 56.748 56.400 -0.042 0.000 0.821 30 E CB -0.072 29.572 29.700 -0.094 0.000 0.777 30 E HN 0.357 nan 8.360 nan 0.000 0.460 31 E N 0.338 120.475 120.200 -0.106 0.000 2.401 31 E HA -0.160 4.190 4.350 -0.000 0.000 0.199 31 E C 1.262 177.655 176.600 -0.345 0.000 1.023 31 E CA 0.521 56.816 56.400 -0.174 0.000 0.859 31 E CB -0.035 29.601 29.700 -0.107 0.000 0.780 31 E HN 0.185 nan 8.360 nan 0.000 0.523 32 F N -0.237 119.521 119.950 -0.321 0.000 2.619 32 F HA 0.004 4.531 4.527 -0.000 0.000 0.293 32 F C 1.785 177.560 175.800 -0.042 0.000 1.119 32 F CA 0.194 58.019 58.000 -0.291 0.000 1.445 32 F CB 0.084 39.052 39.000 -0.054 0.000 1.119 32 F HN 0.030 nan 8.300 nan 0.000 0.573 33 L N -0.313 120.892 121.223 -0.031 0.000 2.131 33 L HA -0.041 4.299 4.340 -0.000 0.000 0.206 33 L C 2.323 179.250 176.870 0.095 0.000 1.087 33 L CA 1.897 56.748 54.840 0.018 0.000 0.767 33 L CB -1.096 41.006 42.059 0.071 0.000 0.917 33 L HN 0.193 nan 8.230 nan 0.000 0.441 34 H N -1.279 117.753 119.070 -0.063 0.000 2.389 34 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 34 H C 0.734 176.101 175.328 0.065 0.000 1.081 34 H CA 1.178 57.218 56.048 -0.014 0.000 1.345 34 H CB 0.113 29.857 29.762 -0.030 0.000 1.393 34 H HN 0.618 nan 8.280 nan 0.000 0.520 35 H N -3.193 115.952 119.070 0.125 0.000 2.640 35 H HA 0.103 4.659 4.556 -0.000 0.000 0.312 35 H C -0.084 175.346 175.328 0.171 0.000 1.110 35 H CA -0.358 55.749 56.048 0.098 0.000 1.098 35 H CB 0.191 30.014 29.762 0.101 0.000 1.485 35 H HN 0.225 nan 8.280 nan 0.000 0.526 36 F N -0.063 119.908 119.950 0.035 0.000 2.841 36 F HA 0.305 4.832 4.527 -0.000 0.000 0.410 36 F C 1.221 176.979 175.800 -0.070 0.000 0.898 36 F CA 0.238 58.181 58.000 -0.096 0.000 0.967 36 F CB 0.127 38.953 39.000 -0.291 0.000 1.227 36 F HN 0.285 nan 8.300 nan 0.000 0.570 37 A N 0.942 123.807 122.820 0.075 0.000 2.416 37 A HA 0.270 4.590 4.320 -0.000 0.000 0.252 37 A C 1.693 179.271 177.584 -0.010 0.000 1.353 37 A CA 0.174 52.231 52.037 0.033 0.000 0.996 37 A CB -1.454 17.593 19.000 0.078 0.000 0.961 37 A HN 0.414 nan 8.150 nan 0.000 0.523 38 I N -0.426 120.109 120.570 -0.059 0.000 2.248 38 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 38 I C 1.694 177.773 176.117 -0.064 0.000 1.107 38 I CA 1.598 62.858 61.300 -0.068 0.000 1.373 38 I CB -0.184 37.752 38.000 -0.105 0.000 1.055 38 I HN 0.435 nan 8.210 nan 0.000 0.418 39 T N 0.825 115.329 114.554 -0.082 0.000 2.832 39 T HA 0.269 4.619 4.350 -0.000 0.000 0.313 39 T C -1.602 173.090 174.700 -0.013 0.000 1.035 39 T CA -2.050 60.016 62.100 -0.058 0.000 0.950 39 T CB 1.151 69.965 68.868 -0.090 0.000 0.984 39 T HN -0.143 nan 8.240 nan 0.000 0.486 40 P HA -0.176 nan 4.420 nan 0.000 0.219 40 P C 0.990 178.352 177.300 0.103 0.000 1.161 40 P CA 1.434 64.565 63.100 0.051 0.000 0.909 40 P CB 0.041 31.766 31.700 0.041 0.000 0.793 41 N N -1.340 117.425 118.700 0.108 0.000 2.413 41 N HA -0.007 4.732 4.740 -0.000 0.000 0.207 41 N C 1.448 177.062 175.510 0.174 0.000 1.206 41 N CA -0.140 53.032 53.050 0.204 0.000 0.832 41 N CB -0.074 38.517 38.487 0.174 0.000 1.037 41 N HN 0.034 nan 8.380 nan 0.000 0.467 42 R N 0.374 120.943 120.500 0.115 0.000 2.334 42 R HA 0.274 4.614 4.340 -0.000 0.000 0.212 42 R C -0.079 176.325 176.300 0.173 0.000 0.897 42 R CA 0.235 56.364 56.100 0.047 0.000 1.056 42 R CB 0.620 30.900 30.300 -0.033 0.000 1.046 42 R HN 0.181 nan 8.270 nan 0.000 0.513 43 I N 0.917 121.665 120.570 0.297 0.000 2.692 43 I HA 0.273 4.443 4.170 -0.000 0.000 0.293 43 I C -2.148 174.163 176.117 0.324 0.000 1.200 43 I CA -1.206 60.301 61.300 0.345 0.000 1.036 43 I CB 2.167 40.308 38.000 0.236 0.000 1.258 43 I HN -0.095 nan 8.210 nan 0.000 0.421 44 L N 8.145 129.544 121.223 0.294 0.000 2.372 44 L HA 0.617 4.957 4.340 -0.000 0.000 0.274 44 L C -1.878 175.022 176.870 0.051 0.000 0.988 44 L CA -0.397 54.483 54.840 0.066 0.000 0.833 44 L CB 1.576 43.497 42.059 -0.229 0.000 1.236 44 L HN 0.607 nan 8.230 nan 0.000 0.410 45 L N 6.097 127.342 121.223 0.036 0.000 2.322 45 L HA 0.670 5.010 4.340 -0.000 0.000 0.279 45 L C -0.978 175.893 176.870 0.001 0.000 1.036 45 L CA -0.071 54.792 54.840 0.039 0.000 0.807 45 L CB 1.413 43.507 42.059 0.057 0.000 1.226 45 L HN 0.601 nan 8.230 nan 0.000 0.433 46 I N 4.578 125.155 120.570 0.011 0.000 2.439 46 I HA 0.426 4.596 4.170 -0.000 0.000 0.283 46 I C 0.437 176.559 176.117 0.008 0.000 1.023 46 I CA -0.537 60.759 61.300 -0.007 0.000 1.100 46 I CB 1.564 39.567 38.000 0.004 0.000 1.238 46 I HN 0.753 nan 8.210 nan 0.000 0.445 47 G N 4.327 113.112 108.800 -0.025 0.000 2.504 47 G HA2 0.343 4.303 3.960 -0.000 0.000 0.288 47 G HA3 0.343 4.303 3.960 -0.000 0.000 0.288 47 G C -0.298 174.544 174.900 -0.096 0.000 1.182 47 G CA -0.435 44.649 45.100 -0.026 0.000 0.894 47 G HN 0.605 nan 8.290 nan 0.000 0.521 48 E N 1.016 121.169 120.200 -0.077 0.000 2.452 48 E HA 0.018 4.368 4.350 -0.000 0.000 0.261 48 E C -1.685 174.630 176.600 -0.475 0.000 0.987 48 E CA -0.729 55.528 56.400 -0.237 0.000 0.926 48 E CB 1.049 30.707 29.700 -0.069 0.000 0.934 48 E HN 0.249 nan 8.360 nan 0.000 0.452 49 P HA 0.035 nan 4.420 nan 0.000 0.218 49 P C 0.569 177.382 177.300 -0.813 0.000 1.793 49 P CA 0.145 62.840 63.100 -0.676 0.000 0.941 49 P CB -0.092 31.217 31.700 -0.651 0.000 1.919 50 L N 0.533 121.419 121.223 -0.563 0.000 2.043 50 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 50 L C 2.617 179.430 176.870 -0.095 0.000 1.075 50 L CA 2.187 56.894 54.840 -0.221 0.000 0.752 50 L CB -1.611 40.437 42.059 -0.019 0.000 0.891 50 L HN 0.219 nan 8.230 nan 0.000 0.432 51 S N -0.874 114.761 115.700 -0.109 0.000 2.407 51 S HA -0.252 4.218 4.470 -0.000 0.000 0.235 51 S C 1.759 176.262 174.600 -0.163 0.000 1.036 51 S CA 1.519 59.648 58.200 -0.118 0.000 1.013 51 S CB -0.722 62.388 63.200 -0.150 0.000 0.820 51 S HN 0.439 nan 8.310 nan 0.000 0.476 52 Y N -0.417 119.782 120.300 -0.169 0.000 2.389 52 Y HA 0.200 4.750 4.550 -0.000 0.000 0.292 52 Y C 2.211 178.133 175.900 0.037 0.000 1.117 52 Y CA -0.116 57.929 58.100 -0.092 0.000 1.195 52 Y CB -0.400 37.983 38.460 -0.130 0.000 1.076 52 Y HN 0.204 nan 8.280 nan 0.000 0.548 53 W N 0.616 121.950 121.300 0.055 0.000 2.358 53 W HA -0.053 4.607 4.660 -0.000 0.000 0.303 53 W C 1.799 178.252 176.519 -0.111 0.000 1.208 53 W CA 0.904 58.187 57.345 -0.104 0.000 1.274 53 W CB -0.948 28.468 29.460 -0.074 0.000 1.138 53 W HN -0.015 nan 8.180 nan 0.000 0.515 54 R N 0.258 120.866 120.500 0.180 0.000 2.328 54 R HA -0.052 4.288 4.340 -0.000 0.000 0.200 54 R C 0.183 176.499 176.300 0.026 0.000 0.983 54 R CA 0.537 56.685 56.100 0.082 0.000 1.062 54 R CB -0.510 29.832 30.300 0.070 0.000 0.956 54 R HN 0.021 nan 8.270 nan 0.000 0.479 55 N N 0.019 118.730 118.700 0.018 0.000 2.657 55 N HA 0.008 4.748 4.740 -0.000 0.000 0.234 55 N C -1.503 174.006 175.510 -0.003 0.000 1.433 55 N CA -0.151 52.891 53.050 -0.014 0.000 1.078 55 N CB 0.245 38.694 38.487 -0.063 0.000 1.508 55 N HN 0.016 nan 8.380 nan 0.000 0.547 56 L N 1.755 123.001 121.223 0.039 0.000 2.385 56 L HA 0.523 4.863 4.340 -0.000 0.000 0.285 56 L C 0.741 177.636 176.870 0.042 0.000 1.125 56 L CA 0.337 55.217 54.840 0.067 0.000 0.890 56 L CB -0.037 42.065 42.059 0.071 0.000 1.251 56 L HN 0.523 nan 8.230 nan 0.000 0.445 57 A N 3.289 126.132 122.820 0.038 0.000 2.783 57 A HA -0.146 4.174 4.320 -0.000 0.000 0.292 57 A C 1.396 178.995 177.584 0.025 0.000 1.495 57 A CA 1.165 53.219 52.037 0.029 0.000 0.787 57 A CB -1.994 17.027 19.000 0.035 0.000 1.017 57 A HN 1.677 nan 8.150 nan 0.000 0.516 58 G N -2.376 106.437 108.800 0.021 0.000 2.436 58 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.204 58 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.204 58 G C -0.139 174.788 174.900 0.045 0.000 1.026 58 G CA 0.455 45.571 45.100 0.027 0.000 0.658 58 G HN 1.203 nan 8.290 nan 0.000 0.499 59 E N 0.800 121.038 120.200 0.063 0.000 2.222 59 E HA 0.469 4.819 4.350 -0.000 0.000 0.267 59 E C -1.363 175.277 176.600 0.068 0.000 0.963 59 E CA -0.782 55.680 56.400 0.104 0.000 0.837 59 E CB 1.895 31.716 29.700 0.201 0.000 1.183 59 E HN 0.128 nan 8.360 nan 0.000 0.403 60 D N 1.586 122.020 120.400 0.057 0.000 2.524 60 D HA 0.174 4.814 4.640 -0.000 0.000 0.222 60 D C 0.807 177.063 176.300 -0.073 0.000 1.142 60 D CA -0.149 53.850 54.000 -0.002 0.000 0.973 60 D CB 0.658 41.453 40.800 -0.008 0.000 1.025 60 D HN 0.559 nan 8.370 nan 0.000 0.519 61 A N 4.767 127.500 122.820 -0.144 0.000 1.923 61 A HA -0.274 4.046 4.320 -0.000 0.000 0.222 61 A C 2.225 179.620 177.584 -0.316 0.000 1.258 61 A CA 1.383 53.209 52.037 -0.353 0.000 0.670 61 A CB -0.592 17.783 19.000 -1.042 0.000 0.834 61 A HN 0.721 nan 8.150 nan 0.000 0.470 62 I N -1.274 119.195 120.570 -0.169 0.000 2.076 62 I HA -0.343 3.827 4.170 -0.000 0.000 0.237 62 I C 2.768 178.888 176.117 0.005 0.000 1.059 62 I CA 1.719 63.056 61.300 0.062 0.000 1.317 62 I CB -0.691 37.430 38.000 0.201 0.000 1.037 62 I HN 0.641 nan 8.210 nan 0.000 0.398 63 C N 1.432 120.716 119.300 -0.026 0.000 2.398 63 C HA -0.186 4.274 4.460 -0.000 0.000 0.276 63 C C 2.984 177.819 174.990 -0.258 0.000 1.222 63 C CA 1.477 60.460 59.018 -0.058 0.000 1.746 63 C CB -1.686 26.016 27.740 -0.064 0.000 2.039 63 C HN 0.690 nan 8.230 nan 0.000 0.470 64 G N -0.186 108.274 108.800 -0.566 0.000 2.442 64 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 64 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 64 G C 1.574 175.726 174.900 -1.247 0.000 1.141 64 G CA 1.080 45.325 45.100 -1.424 0.000 0.763 64 G HN 0.657 nan 8.290 nan 0.000 0.554 65 I N -1.357 118.785 120.570 -0.714 0.000 2.353 65 I HA -0.013 4.157 4.170 -0.000 0.000 0.248 65 I C 2.367 178.198 176.117 -0.478 0.000 1.119 65 I CA 0.969 61.998 61.300 -0.453 0.000 1.417 65 I CB 0.126 37.886 38.000 -0.400 0.000 1.078 65 I HN 0.279 nan 8.210 nan 0.000 0.421 66 Y N 0.057 120.228 120.300 -0.215 0.000 2.201 66 Y HA 0.044 4.594 4.550 -0.000 0.000 0.292 66 Y C 2.584 178.392 175.900 -0.153 0.000 1.119 66 Y CA 1.070 59.070 58.100 -0.167 0.000 1.127 66 Y CB -1.105 37.273 38.460 -0.136 0.000 1.019 66 Y HN 0.127 nan 8.280 nan 0.000 0.514 67 G N -0.539 108.244 108.800 -0.027 0.000 2.503 67 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.221 67 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.221 67 G C 1.672 176.538 174.900 -0.058 0.000 1.131 67 G CA 1.889 46.957 45.100 -0.054 0.000 0.756 67 G HN 0.321 nan 8.290 nan 0.000 0.572 68 T N 0.531 115.023 114.554 -0.103 0.000 2.803 68 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 68 T C 2.527 177.219 174.700 -0.014 0.000 1.052 68 T CA 1.498 63.581 62.100 -0.028 0.000 1.136 68 T CB -0.107 68.775 68.868 0.024 0.000 0.864 68 T HN 0.229 nan 8.240 nan 0.000 0.467 69 Q N 0.517 120.300 119.800 -0.029 0.000 2.096 69 Q HA 0.023 4.363 4.340 -0.000 0.000 0.197 69 Q C 2.651 178.650 176.000 -0.003 0.000 0.964 69 Q CA 1.204 56.996 55.803 -0.018 0.000 0.838 69 Q CB -1.146 27.577 28.738 -0.025 0.000 0.906 69 Q HN 0.464 nan 8.270 nan 0.000 0.444 70 T N 1.260 115.816 114.554 0.004 0.000 2.684 70 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 70 T C 1.903 176.603 174.700 -0.000 0.000 1.036 70 T CA 1.399 63.501 62.100 0.003 0.000 1.148 70 T CB -0.135 68.734 68.868 0.002 0.000 0.863 70 T HN 0.219 nan 8.240 nan 0.000 0.436 71 R N 0.372 120.872 120.500 -0.000 0.000 2.152 71 R HA 0.013 4.353 4.340 -0.000 0.000 0.232 71 R C 2.623 178.927 176.300 0.005 0.000 1.117 71 R CA 0.994 57.096 56.100 0.004 0.000 0.981 71 R CB -0.078 30.227 30.300 0.010 0.000 0.870 71 R HN 0.306 nan 8.270 nan 0.000 0.451 72 R N 0.011 120.513 120.500 0.004 0.000 2.075 72 R HA -0.085 4.255 4.340 -0.000 0.000 0.226 72 R C 1.596 177.896 176.300 -0.001 0.000 1.114 72 R CA 0.978 57.079 56.100 0.002 0.000 0.972 72 R CB -0.078 30.222 30.300 -0.001 0.000 0.869 72 R HN 0.059 nan 8.270 nan 0.000 0.437 73 L N 1.546 122.768 121.223 -0.002 0.000 2.083 73 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 73 L C 1.441 178.310 176.870 -0.002 0.000 1.083 73 L CA 1.789 56.628 54.840 -0.002 0.000 0.752 73 L CB -0.914 41.144 42.059 -0.002 0.000 0.899 73 L HN 0.300 nan 8.230 nan 0.000 0.433 74 N N -0.771 117.929 118.700 -0.001 0.000 2.515 74 N HA 0.051 4.790 4.740 -0.000 0.000 0.185 74 N C 1.139 176.649 175.510 -0.000 0.000 1.109 74 N CA 0.534 53.584 53.050 -0.001 0.000 0.903 74 N CB 0.043 38.530 38.487 -0.000 0.000 0.969 74 N HN 0.448 nan 8.380 nan 0.000 0.450 75 G N 1.403 110.203 108.800 0.000 0.000 2.160 75 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.251 75 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.251 75 G C 0.284 175.185 174.900 0.002 0.000 1.008 75 G CA 0.350 45.450 45.100 0.001 0.000 0.724 75 G HN 0.290 nan 8.290 nan 0.000 0.514 76 D N -1.024 119.378 120.400 0.003 0.000 2.348 76 D HA 0.233 4.873 4.640 -0.000 0.000 0.216 76 D C 1.016 177.320 176.300 0.006 0.000 0.970 76 D CA 1.371 55.374 54.000 0.004 0.000 0.889 76 D CB 0.652 41.456 40.800 0.006 0.000 0.912 76 D HN 0.562 nan 8.370 nan 0.000 0.524 77 V N -0.782 119.137 119.914 0.007 0.000 3.048 77 V HA 0.254 4.374 4.120 -0.000 0.000 0.303 77 V C -0.777 175.320 176.094 0.006 0.000 1.214 77 V CA -0.952 61.353 62.300 0.008 0.000 0.984 77 V CB 2.243 34.076 31.823 0.016 0.000 1.054 77 V HN -0.048 nan 8.190 nan 0.000 0.430 78 S N 6.394 122.096 115.700 0.004 0.000 2.552 78 S HA 0.201 4.671 4.470 -0.000 0.000 0.289 78 S C -1.095 173.507 174.600 0.003 0.000 1.304 78 S CA 0.117 58.318 58.200 0.002 0.000 1.063 78 S CB 1.094 64.295 63.200 0.001 0.000 0.848 78 S HN 0.761 nan 8.310 nan 0.000 0.499 79 P HA -0.137 nan 4.420 nan 0.000 0.220 79 P C 1.093 178.394 177.300 0.001 0.000 1.148 79 P CA 1.070 64.169 63.100 -0.000 0.000 0.803 79 P CB 0.137 31.834 31.700 -0.005 0.000 0.782 80 E N 0.106 120.307 120.200 0.002 0.000 2.072 80 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 80 E C 1.572 178.175 176.600 0.005 0.000 0.985 80 E CA 1.117 57.519 56.400 0.003 0.000 0.801 80 E CB -0.190 29.512 29.700 0.002 0.000 0.750 80 E HN 0.110 nan 8.360 nan 0.000 0.452 81 D N 0.255 120.658 120.400 0.004 0.000 2.123 81 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 81 D C 1.883 178.193 176.300 0.016 0.000 0.976 81 D CA 1.162 55.165 54.000 0.005 0.000 0.831 81 D CB -0.321 40.480 40.800 0.002 0.000 0.974 81 D HN 0.268 nan 8.370 nan 0.000 0.469 82 A N 1.127 123.959 122.820 0.020 0.000 2.032 82 A HA -0.272 4.048 4.320 -0.000 0.000 0.221 82 A C 2.094 179.699 177.584 0.035 0.000 1.165 82 A CA 1.552 53.608 52.037 0.032 0.000 0.645 82 A CB -0.543 18.468 19.000 0.018 0.000 0.807 82 A HN 0.283 nan 8.150 nan 0.000 0.453 83 Q N -1.062 118.752 119.800 0.023 0.000 2.062 83 Q HA -0.087 4.253 4.340 -0.000 0.000 0.196 83 Q C 2.360 178.379 176.000 0.032 0.000 0.967 83 Q CA 1.225 57.043 55.803 0.025 0.000 0.832 83 Q CB -0.143 28.606 28.738 0.019 0.000 0.899 83 Q HN 0.663 nan 8.270 nan 0.000 0.442 84 R N 0.284 120.797 120.500 0.022 0.000 2.081 84 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 84 R C 2.201 178.512 176.300 0.018 0.000 1.131 84 R CA 0.833 56.941 56.100 0.012 0.000 0.960 84 R CB -0.293 30.003 30.300 -0.006 0.000 0.856 84 R HN 0.097 nan 8.270 nan 0.000 0.436 85 L N 0.526 121.767 121.223 0.030 0.000 2.042 85 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 85 L C 2.058 179.025 176.870 0.161 0.000 1.076 85 L CA 1.896 56.771 54.840 0.058 0.000 0.749 85 L CB -0.737 41.392 42.059 0.116 0.000 0.893 85 L HN 0.192 nan 8.230 nan 0.000 0.432 86 T N -0.733 113.913 114.554 0.154 0.000 2.674 86 T HA -0.203 4.146 4.350 -0.000 0.000 0.265 86 T C 1.942 176.718 174.700 0.126 0.000 1.039 86 T CA 1.390 63.593 62.100 0.171 0.000 1.150 86 T CB -0.551 68.359 68.868 0.070 0.000 0.864 86 T HN 0.456 nan 8.240 nan 0.000 0.427 87 A N 1.436 124.296 122.820 0.066 0.000 1.927 87 A HA -0.297 4.023 4.320 -0.000 0.000 0.220 87 A C 1.981 179.570 177.584 0.009 0.000 1.185 87 A CA 2.716 54.772 52.037 0.032 0.000 0.639 87 A CB -1.191 17.818 19.000 0.015 0.000 0.820 87 A HN 0.724 nan 8.150 nan 0.000 0.451 88 H N -1.199 117.797 119.070 -0.123 0.000 2.251 88 H HA -0.187 4.369 4.556 -0.000 0.000 0.294 88 H C 1.706 176.882 175.328 -0.252 0.000 1.078 88 H CA 2.497 58.392 56.048 -0.255 0.000 1.246 88 H CB -0.628 28.855 29.762 -0.466 0.000 1.358 88 H HN 0.471 nan 8.280 nan 0.000 0.488 89 F N 0.189 120.034 119.950 -0.174 0.000 2.069 89 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 89 F C 2.941 178.630 175.800 -0.184 0.000 1.113 89 F CA 1.310 59.154 58.000 -0.259 0.000 1.214 89 F CB -0.732 38.194 39.000 -0.123 0.000 0.978 89 F HN 0.275 nan 8.300 nan 0.000 0.474 90 Q N 1.378 121.265 119.800 0.146 0.000 2.118 90 Q HA -0.277 4.063 4.340 -0.000 0.000 0.211 90 Q C 2.220 178.292 176.000 0.119 0.000 0.998 90 Q CA 2.742 58.645 55.803 0.166 0.000 0.872 90 Q CB -0.892 27.893 28.738 0.079 0.000 0.925 90 Q HN 0.398 nan 8.270 nan 0.000 0.414 91 S N -0.620 115.067 115.700 -0.023 0.000 2.400 91 S HA -0.150 4.320 4.470 -0.000 0.000 0.232 91 S C 2.000 176.547 174.600 -0.089 0.000 1.025 91 S CA 1.224 59.388 58.200 -0.060 0.000 0.993 91 S CB -0.639 62.499 63.200 -0.102 0.000 0.808 91 S HN 0.505 nan 8.310 nan 0.000 0.478 92 L N -0.456 120.645 121.223 -0.204 0.000 2.081 92 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 92 L C 2.394 179.139 176.870 -0.210 0.000 1.080 92 L CA 1.644 56.329 54.840 -0.258 0.000 0.754 92 L CB -0.787 41.043 42.059 -0.381 0.000 0.893 92 L HN 0.292 nan 8.230 nan 0.000 0.433 93 F N -0.815 118.998 119.950 -0.228 0.000 2.307 93 F HA -0.236 4.291 4.527 -0.000 0.000 0.301 93 F C 2.622 178.438 175.800 0.028 0.000 1.076 93 F CA 0.843 58.650 58.000 -0.322 0.000 1.383 93 F CB -1.048 37.563 39.000 -0.648 0.000 1.055 93 F HN 0.185 nan 8.300 nan 0.000 0.526 94 C N -0.061 119.332 119.300 0.154 0.000 2.440 94 C HA -0.234 4.226 4.460 -0.000 0.000 0.282 94 C C 3.081 178.155 174.990 0.141 0.000 1.223 94 C CA 1.456 60.551 59.018 0.127 0.000 1.744 94 C CB -1.408 26.360 27.740 0.047 0.000 2.061 94 C HN 0.607 nan 8.230 nan 0.000 0.456 95 S N 2.934 118.690 115.700 0.092 0.000 2.401 95 S HA -0.237 4.233 4.470 -0.000 0.000 0.236 95 S C -0.504 174.123 174.600 0.045 0.000 1.058 95 S CA 2.332 60.569 58.200 0.061 0.000 1.151 95 S CB -2.503 60.720 63.200 0.038 0.000 1.049 95 S HN 0.449 nan 8.310 nan 0.000 0.432 96 P HA -0.194 nan 4.420 nan 0.000 0.212 96 P C 1.523 178.778 177.300 -0.076 0.000 1.174 96 P CA 1.843 64.862 63.100 -0.135 0.000 0.934 96 P CB -0.332 31.283 31.700 -0.141 0.000 0.791 97 H N -1.004 118.099 119.070 0.054 0.000 2.426 97 H HA -0.092 4.464 4.556 -0.000 0.000 0.298 97 H C 1.871 177.208 175.328 0.015 0.000 1.107 97 H CA 1.829 57.904 56.048 0.046 0.000 1.298 97 H CB -0.603 29.227 29.762 0.113 0.000 1.377 97 H HN 0.071 nan 8.280 nan 0.000 0.519 98 A N 0.777 123.682 122.820 0.142 0.000 1.898 98 A HA -0.061 4.259 4.320 -0.000 0.000 0.214 98 A C 2.480 180.112 177.584 0.080 0.000 1.183 98 A CA 0.691 52.783 52.037 0.092 0.000 0.622 98 A CB -0.285 18.751 19.000 0.060 0.000 0.824 98 A HN 0.194 nan 8.150 nan 0.000 0.444 99 I N -0.609 119.976 120.570 0.025 0.000 2.151 99 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 99 I C 2.519 178.635 176.117 -0.002 0.000 1.080 99 I CA 2.233 63.529 61.300 -0.007 0.000 1.339 99 I CB -1.143 36.816 38.000 -0.067 0.000 1.039 99 I HN 0.454 nan 8.210 nan 0.000 0.409 100 M N 0.601 120.195 119.600 -0.010 0.000 2.139 100 M HA -0.282 4.198 4.480 -0.000 0.000 0.260 100 M C 2.535 178.871 176.300 0.059 0.000 1.078 100 M CA 2.263 57.563 55.300 -0.000 0.000 1.106 100 M CB -0.985 31.606 32.600 -0.015 0.000 1.275 100 M HN 0.298 nan 8.290 nan 0.000 0.425 101 H N -0.200 118.885 119.070 0.025 0.000 2.362 101 H HA -0.179 4.377 4.556 -0.000 0.000 0.294 101 H C 1.677 177.020 175.328 0.025 0.000 1.113 101 H CA 2.844 58.908 56.048 0.026 0.000 1.253 101 H CB -0.371 29.356 29.762 -0.057 0.000 1.363 101 H HN 0.528 nan 8.280 nan 0.000 0.494 102 A N 0.196 123.069 122.820 0.088 0.000 1.933 102 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 102 A C 2.276 179.845 177.584 -0.025 0.000 1.175 102 A CA 1.862 53.922 52.037 0.038 0.000 0.628 102 A CB -0.538 18.508 19.000 0.077 0.000 0.814 102 A HN 0.497 nan 8.150 nan 0.000 0.444 103 K N 0.370 120.757 120.400 -0.022 0.000 2.001 103 K HA 0.008 4.328 4.320 -0.000 0.000 0.208 103 K C 1.606 178.180 176.600 -0.044 0.000 1.048 103 K CA 1.703 57.974 56.287 -0.027 0.000 0.932 103 K CB -0.635 31.850 32.500 -0.026 0.000 0.715 103 K HN 0.404 nan 8.250 nan 0.000 0.437 104 I N 0.967 121.500 120.570 -0.062 0.000 2.194 104 I HA -0.311 3.859 4.170 -0.000 0.000 0.246 104 I C 1.930 178.000 176.117 -0.078 0.000 1.093 104 I CA 1.534 62.797 61.300 -0.061 0.000 1.355 104 I CB -0.263 37.707 38.000 -0.049 0.000 1.046 104 I HN 0.184 nan 8.210 nan 0.000 0.413 105 S N 0.499 116.106 115.700 -0.156 0.000 2.419 105 S HA -0.137 4.333 4.470 -0.000 0.000 0.233 105 S C 2.127 176.706 174.600 -0.035 0.000 1.016 105 S CA 1.177 59.309 58.200 -0.114 0.000 0.974 105 S CB -0.253 62.857 63.200 -0.149 0.000 0.786 105 S HN 0.573 nan 8.310 nan 0.000 0.492 106 A N 1.112 123.915 122.820 -0.028 0.000 1.970 106 A HA 0.177 4.497 4.320 -0.000 0.000 0.216 106 A C 1.718 179.306 177.584 0.007 0.000 1.170 106 A CA 0.709 52.744 52.037 -0.004 0.000 0.645 106 A CB -0.380 18.618 19.000 -0.003 0.000 0.816 106 A HN 0.484 nan 8.150 nan 0.000 0.447 107 L N -1.087 120.140 121.223 0.006 0.000 2.627 107 L HA 0.239 4.579 4.340 -0.000 0.000 0.232 107 L C 0.453 177.347 176.870 0.041 0.000 1.150 107 L CA -0.220 54.634 54.840 0.023 0.000 0.917 107 L CB -0.389 41.681 42.059 0.020 0.000 1.104 107 L HN 0.315 nan 8.230 nan 0.000 0.445 108 M N 0.714 120.334 119.600 0.034 0.000 2.157 108 M HA 0.163 4.643 4.480 -0.000 0.000 0.354 108 M C -0.348 175.980 176.300 0.046 0.000 1.170 108 M CA -0.357 54.973 55.300 0.049 0.000 1.060 108 M CB 0.968 33.595 32.600 0.046 0.000 1.615 108 M HN -0.114 nan 8.290 nan 0.000 0.460 109 D N 2.274 122.706 120.400 0.053 0.000 2.338 109 D HA 0.118 4.758 4.640 -0.000 0.000 0.255 109 D C -0.510 175.816 176.300 0.043 0.000 1.237 109 D CA 0.361 54.388 54.000 0.046 0.000 0.883 109 D CB 0.661 41.489 40.800 0.047 0.000 1.087 109 D HN 0.592 nan 8.370 nan 0.000 0.485 110 T N 2.664 117.240 114.554 0.038 0.000 3.273 110 T HA 0.141 4.491 4.350 -0.000 0.000 0.242 110 T C 0.095 174.815 174.700 0.032 0.000 1.228 110 T CA -0.505 61.617 62.100 0.037 0.000 1.173 110 T CB -0.018 68.871 68.868 0.036 0.000 1.134 110 T HN 0.228 nan 8.240 nan 0.000 0.635 111 S N 2.959 118.678 115.700 0.032 0.000 2.465 111 S HA 0.296 4.766 4.470 -0.000 0.000 0.279 111 S C 0.788 175.403 174.600 0.026 0.000 1.201 111 S CA -0.751 57.466 58.200 0.028 0.000 1.053 111 S CB 0.157 63.373 63.200 0.027 0.000 0.953 111 S HN 0.600 nan 8.310 nan 0.000 0.488 112 T N 2.522 117.090 114.554 0.023 0.000 3.316 112 T HA 0.620 4.970 4.350 -0.000 0.000 0.341 112 T C 0.020 174.732 174.700 0.019 0.000 1.397 112 T CA -0.504 61.609 62.100 0.022 0.000 1.085 112 T CB -0.080 68.800 68.868 0.019 0.000 1.160 112 T HN 0.343 nan 8.240 nan 0.000 0.694 113 S N 1.327 117.038 115.700 0.020 0.000 2.636 113 S HA 0.348 4.818 4.470 -0.000 0.000 0.266 113 S C -1.539 173.071 174.600 0.018 0.000 1.147 113 S CA -0.922 57.288 58.200 0.017 0.000 0.815 113 S CB 1.356 64.566 63.200 0.016 0.000 1.119 113 S HN 0.722 nan 8.310 nan 0.000 0.470 114 D N 1.171 121.580 120.400 0.015 0.000 2.354 114 D HA 0.383 5.023 4.640 -0.000 0.000 0.247 114 D C -0.446 175.862 176.300 0.014 0.000 1.138 114 D CA -0.091 53.917 54.000 0.014 0.000 0.958 114 D CB 0.621 41.428 40.800 0.012 0.000 1.144 114 D HN 0.290 nan 8.370 nan 0.000 0.458 115 L N 1.338 122.569 121.223 0.014 0.000 2.276 115 L HA 0.103 4.443 4.340 -0.000 0.000 0.286 115 L C 1.384 178.259 176.870 0.009 0.000 1.061 115 L CA -0.575 54.273 54.840 0.012 0.000 0.807 115 L CB 1.706 43.773 42.059 0.013 0.000 1.177 115 L HN 0.201 nan 8.230 nan 0.000 0.429 116 V N 1.416 121.335 119.914 0.008 0.000 2.649 116 V HA 0.046 4.166 4.120 -0.000 0.000 0.248 116 V C 0.627 176.724 176.094 0.004 0.000 1.054 116 V CA 0.918 63.221 62.300 0.006 0.000 1.073 116 V CB -0.451 31.376 31.823 0.007 0.000 0.699 116 V HN 0.733 nan 8.190 nan 0.000 0.463 117 Q N -0.681 119.121 119.800 0.004 0.000 2.511 117 Q HA 0.558 4.898 4.340 -0.000 0.000 0.289 117 Q C -1.187 174.813 176.000 -0.001 0.000 1.021 117 Q CA -0.372 55.431 55.803 0.000 0.000 0.785 117 Q CB 3.138 31.876 28.738 -0.001 0.000 1.472 117 Q HN 0.203 nan 8.270 nan 0.000 0.411 118 V N -1.657 118.254 119.914 -0.005 0.000 2.994 118 V HA 0.641 4.761 4.120 -0.000 0.000 0.318 118 V C -0.342 175.742 176.094 -0.017 0.000 1.085 118 V CA -0.933 61.361 62.300 -0.009 0.000 0.998 118 V CB 1.920 33.736 31.823 -0.011 0.000 1.063 118 V HN 0.843 nan 8.190 nan 0.000 0.447 119 N N 1.171 119.857 118.700 -0.024 0.000 2.408 119 N HA 0.282 5.022 4.740 -0.000 0.000 0.280 119 N C 0.724 176.205 175.510 -0.048 0.000 1.002 119 N CA -0.669 52.360 53.050 -0.036 0.000 0.907 119 N CB 1.794 40.255 38.487 -0.043 0.000 1.161 119 N HN 0.920 nan 8.380 nan 0.000 0.488 120 K N 2.821 123.191 120.400 -0.050 0.000 2.032 120 K HA -0.129 4.191 4.320 -0.000 0.000 0.209 120 K C -0.031 176.521 176.600 -0.081 0.000 1.048 120 K CA 1.247 57.499 56.287 -0.058 0.000 0.927 120 K CB 0.015 32.484 32.500 -0.051 0.000 0.712 120 K HN 0.653 nan 8.250 nan 0.000 0.441 121 E N 1.858 122.005 120.200 -0.089 0.000 2.422 121 E HA 0.023 4.373 4.350 -0.000 0.000 0.260 121 E C -2.085 174.424 176.600 -0.151 0.000 1.108 121 E CA -1.353 54.977 56.400 -0.116 0.000 0.943 121 E CB 0.251 29.882 29.700 -0.116 0.000 0.961 121 E HN 0.365 nan 8.360 nan 0.000 0.443 122 P HA -0.046 nan 4.420 nan 0.000 0.272 122 P C -0.963 176.202 177.300 -0.226 0.000 1.240 122 P CA -0.055 62.866 63.100 -0.299 0.000 0.791 122 P CB 0.216 31.747 31.700 -0.283 0.000 0.978 123 Y N -1.485 118.774 120.300 -0.069 0.000 2.377 123 Y HA 0.348 4.898 4.550 -0.000 0.000 0.330 123 Y C 0.599 176.423 175.900 -0.127 0.000 1.108 123 Y CA -1.483 56.560 58.100 -0.095 0.000 1.308 123 Y CB -0.356 38.080 38.460 -0.041 0.000 1.216 123 Y HN 0.169 nan 8.280 nan 0.000 0.518 124 K N 5.283 125.638 120.400 -0.075 0.000 2.383 124 K HA 0.278 4.598 4.320 -0.000 0.000 0.286 124 K C -0.290 176.278 176.600 -0.053 0.000 1.051 124 K CA -0.246 55.867 56.287 -0.290 0.000 0.974 124 K CB 0.720 32.524 32.500 -1.161 0.000 0.968 124 K HN 0.883 nan 8.250 nan 0.000 0.475 125 I N 4.355 125.017 120.570 0.153 0.000 2.315 125 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 125 I C -0.661 175.662 176.117 0.344 0.000 1.006 125 I CA -0.992 60.441 61.300 0.221 0.000 1.265 125 I CB 0.724 38.873 38.000 0.248 0.000 1.387 125 I HN 0.610 nan 8.210 nan 0.000 0.475 126 M N 7.710 127.491 119.600 0.302 0.000 2.055 126 M HA 0.433 4.913 4.480 -0.000 0.000 0.346 126 M C -1.532 174.805 176.300 0.062 0.000 1.074 126 M CA -0.403 55.032 55.300 0.225 0.000 1.009 126 M CB 1.311 34.026 32.600 0.191 0.000 1.423 126 M HN 0.579 nan 8.290 nan 0.000 0.410 127 L N 2.900 124.176 121.223 0.089 0.000 2.349 127 L HA 0.695 5.035 4.340 -0.000 0.000 0.275 127 L C -0.179 176.696 176.870 0.008 0.000 1.115 127 L CA 0.699 55.567 54.840 0.046 0.000 0.820 127 L CB 1.447 43.590 42.059 0.141 0.000 1.135 127 L HN 0.947 nan 8.230 nan 0.000 0.445 128 S N 2.704 118.392 115.700 -0.021 0.000 2.542 128 S HA 0.424 4.894 4.470 -0.000 0.000 0.293 128 S C -1.192 173.516 174.600 0.180 0.000 1.089 128 S CA -0.811 57.437 58.200 0.081 0.000 0.961 128 S CB 1.219 64.484 63.200 0.108 0.000 1.062 128 S HN 0.670 nan 8.310 nan 0.000 0.483 129 D N 3.098 123.625 120.400 0.212 0.000 2.411 129 D HA 0.398 5.038 4.640 -0.000 0.000 0.225 129 D C -0.292 176.210 176.300 0.336 0.000 1.156 129 D CA 0.438 54.572 54.000 0.224 0.000 0.874 129 D CB -0.294 40.605 40.800 0.166 0.000 1.034 129 D HN 0.652 nan 8.370 nan 0.000 0.502 130 R N 1.505 122.174 120.500 0.282 0.000 0.993 130 R HA -0.190 4.150 4.340 -0.000 0.000 0.431 130 R C -0.708 175.657 176.300 0.109 0.000 1.365 130 R CA 0.078 56.307 56.100 0.215 0.000 1.251 130 R CB -0.543 29.892 30.300 0.225 0.000 3.538 130 R HN 0.655 nan 8.270 nan 0.000 0.512 131 H N 3.566 122.582 119.070 -0.091 0.000 2.529 131 H HA 0.255 4.810 4.556 -0.000 0.000 0.348 131 H C -1.905 173.186 175.328 -0.394 0.000 1.152 131 H CA -2.156 53.701 56.048 -0.318 0.000 1.202 131 H CB 1.995 31.558 29.762 -0.332 0.000 1.562 131 H HN 0.207 nan 8.280 nan 0.000 0.515 132 P HA -0.223 nan 4.420 nan 0.000 0.219 132 P C 1.733 178.994 177.300 -0.065 0.000 1.153 132 P CA 2.303 65.203 63.100 -0.334 0.000 0.865 132 P CB -0.130 31.281 31.700 -0.481 0.000 0.788 133 I N -4.161 116.498 120.570 0.148 0.000 2.530 133 I HA -0.187 3.983 4.170 -0.000 0.000 0.257 133 I C 1.925 178.041 176.117 -0.002 0.000 1.179 133 I CA 1.594 62.905 61.300 0.017 0.000 1.440 133 I CB -0.920 37.044 38.000 -0.060 0.000 1.087 133 I HN -0.164 nan 8.210 nan 0.000 0.440 134 A N 2.034 124.887 122.820 0.054 0.000 1.902 134 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 134 A C 2.586 180.217 177.584 0.078 0.000 1.181 134 A CA 2.321 54.445 52.037 0.146 0.000 0.623 134 A CB -0.886 18.247 19.000 0.222 0.000 0.818 134 A HN 0.695 nan 8.150 nan 0.000 0.443 135 S N -0.779 114.895 115.700 -0.044 0.000 2.406 135 S HA -0.106 4.364 4.470 -0.000 0.000 0.224 135 S C 1.855 176.431 174.600 -0.041 0.000 1.030 135 S CA 1.590 59.738 58.200 -0.086 0.000 0.958 135 S CB -1.083 62.099 63.200 -0.029 0.000 0.811 135 S HN 0.754 nan 8.310 nan 0.000 0.489 136 T N -0.902 113.625 114.554 -0.045 0.000 3.100 136 T HA 0.372 4.722 4.350 -0.000 0.000 0.253 136 T C 1.380 176.019 174.700 -0.102 0.000 1.118 136 T CA 0.443 62.502 62.100 -0.068 0.000 1.058 136 T CB -0.289 68.538 68.868 -0.067 0.000 0.953 136 T HN 0.700 nan 8.240 nan 0.000 0.515 137 I N -2.679 117.832 120.570 -0.097 0.000 4.505 137 I HA 0.225 4.395 4.170 -0.000 0.000 0.294 137 I C 1.710 177.722 176.117 -0.175 0.000 1.144 137 I CA -0.214 60.996 61.300 -0.150 0.000 1.325 137 I CB -0.244 37.652 38.000 -0.173 0.000 1.663 137 I HN 0.096 nan 8.210 nan 0.000 0.454 138 C N 1.504 120.690 119.300 -0.191 0.000 2.473 138 C HA -0.019 4.441 4.460 -0.000 0.000 0.279 138 C C 2.507 177.349 174.990 -0.247 0.000 1.250 138 C CA 1.208 60.011 59.018 -0.360 0.000 1.713 138 C CB -1.195 26.136 27.740 -0.683 0.000 2.066 138 C HN 0.613 nan 8.230 nan 0.000 0.474 139 F N 1.834 121.664 119.950 -0.199 0.000 2.051 139 F HA -0.051 4.476 4.527 -0.000 0.000 0.296 139 F C 0.185 175.958 175.800 -0.045 0.000 1.122 139 F CA 1.789 59.736 58.000 -0.088 0.000 1.201 139 F CB -2.280 36.659 39.000 -0.101 0.000 0.978 139 F HN 0.180 nan 8.300 nan 0.000 0.472 140 P HA -0.216 nan 4.420 nan 0.000 0.217 140 P C 1.916 179.229 177.300 0.021 0.000 1.151 140 P CA 1.495 64.623 63.100 0.046 0.000 0.849 140 P CB -0.050 31.633 31.700 -0.028 0.000 0.787 141 L N -0.263 120.929 121.223 -0.050 0.000 2.156 141 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 141 L C 2.622 179.480 176.870 -0.020 0.000 1.095 141 L CA 1.710 56.514 54.840 -0.061 0.000 0.770 141 L CB -1.539 40.427 42.059 -0.155 0.000 0.914 141 L HN -0.085 nan 8.230 nan 0.000 0.439 142 S N -0.994 114.650 115.700 -0.093 0.000 2.368 142 S HA -0.108 4.362 4.470 -0.000 0.000 0.224 142 S C 2.014 176.674 174.600 0.100 0.000 1.029 142 S CA 0.618 58.728 58.200 -0.150 0.000 0.988 142 S CB -0.129 62.775 63.200 -0.493 0.000 0.838 142 S HN 0.332 nan 8.310 nan 0.000 0.462 143 R N 0.533 121.191 120.500 0.264 0.000 2.091 143 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 143 R C 2.036 178.411 176.300 0.126 0.000 1.136 143 R CA 1.514 57.766 56.100 0.253 0.000 0.959 143 R CB -1.154 29.245 30.300 0.166 0.000 0.856 143 R HN 0.604 nan 8.270 nan 0.000 0.437 144 Y N 1.702 122.004 120.300 0.003 0.000 2.070 144 Y HA -0.224 4.326 4.550 -0.000 0.000 0.280 144 Y C 2.312 178.191 175.900 -0.036 0.000 1.148 144 Y CA 1.753 59.836 58.100 -0.028 0.000 1.125 144 Y CB -0.569 37.856 38.460 -0.059 0.000 0.975 144 Y HN -0.085 nan 8.280 nan 0.000 0.492 145 L N -0.589 120.574 121.223 -0.100 0.000 2.051 145 L HA -0.283 4.057 4.340 -0.000 0.000 0.214 145 L C 2.302 179.030 176.870 -0.236 0.000 1.076 145 L CA 1.465 56.168 54.840 -0.228 0.000 0.758 145 L CB -0.850 41.123 42.059 -0.143 0.000 0.890 145 L HN 0.212 nan 8.230 nan 0.000 0.433 146 V N -0.435 119.412 119.914 -0.112 0.000 3.217 146 V HA 0.024 4.144 4.120 -0.000 0.000 0.264 146 V C 1.628 177.667 176.094 -0.091 0.000 1.135 146 V CA 1.278 63.546 62.300 -0.053 0.000 1.142 146 V CB -0.112 31.776 31.823 0.109 0.000 0.754 146 V HN 0.778 nan 8.190 nan 0.000 0.484 147 G N 0.030 108.733 108.800 -0.162 0.000 2.157 147 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.239 147 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.239 147 G C 0.429 175.280 174.900 -0.081 0.000 0.982 147 G CA 0.368 45.372 45.100 -0.160 0.000 0.650 147 G HN 0.466 nan 8.290 nan 0.000 0.527 148 D N -0.462 119.912 120.400 -0.043 0.000 2.347 148 D HA 0.198 4.838 4.640 -0.000 0.000 0.213 148 D C 1.199 177.497 176.300 -0.002 0.000 0.985 148 D CA 0.867 54.851 54.000 -0.027 0.000 0.879 148 D CB 0.251 41.022 40.800 -0.048 0.000 0.919 148 D HN 0.608 nan 8.370 nan 0.000 0.526 149 M N 0.222 119.833 119.600 0.019 0.000 2.501 149 M HA 0.227 4.707 4.480 -0.000 0.000 0.293 149 M C -1.210 175.149 176.300 0.099 0.000 1.192 149 M CA -0.627 54.707 55.300 0.056 0.000 0.886 149 M CB 2.287 34.932 32.600 0.075 0.000 1.710 149 M HN -0.202 nan 8.290 nan 0.000 0.457 150 S N 3.451 119.203 115.700 0.087 0.000 2.513 150 S HA 0.437 4.907 4.470 -0.000 0.000 0.276 150 S C -1.836 172.830 174.600 0.110 0.000 1.254 150 S CA -1.079 57.188 58.200 0.111 0.000 1.053 150 S CB 0.708 63.941 63.200 0.056 0.000 0.958 150 S HN 0.688 nan 8.310 nan 0.000 0.491 151 P HA -0.234 nan 4.420 nan 0.000 0.218 151 P C 1.448 178.664 177.300 -0.140 0.000 1.146 151 P CA 1.725 64.772 63.100 -0.089 0.000 0.820 151 P CB -0.250 31.371 31.700 -0.132 0.000 0.778 152 A N 0.611 123.396 122.820 -0.059 0.000 2.104 152 A HA -0.131 4.189 4.320 -0.000 0.000 0.223 152 A C 2.275 179.791 177.584 -0.114 0.000 1.164 152 A CA 2.088 54.084 52.037 -0.068 0.000 0.659 152 A CB -1.286 17.705 19.000 -0.014 0.000 0.808 152 A HN 0.340 nan 8.150 nan 0.000 0.465 153 A N -1.298 121.450 122.820 -0.120 0.000 2.345 153 A HA 0.500 4.819 4.320 -0.000 0.000 0.225 153 A C 1.714 179.161 177.584 -0.228 0.000 1.243 153 A CA 0.088 52.043 52.037 -0.136 0.000 0.875 153 A CB -0.258 18.695 19.000 -0.078 0.000 0.929 153 A HN 0.427 nan 8.150 nan 0.000 0.502 154 L N -0.389 120.633 121.223 -0.335 0.000 2.072 154 L HA -0.048 4.292 4.340 -0.000 0.000 0.205 154 L C -0.601 175.845 176.870 -0.708 0.000 1.079 154 L CA 1.072 55.623 54.840 -0.482 0.000 0.752 154 L CB -1.364 40.368 42.059 -0.545 0.000 0.906 154 L HN 0.183 nan 8.230 nan 0.000 0.436 155 P HA -0.151 nan 4.420 nan 0.000 0.215 155 P C 1.583 178.626 177.300 -0.428 0.000 1.153 155 P CA 1.743 64.280 63.100 -0.938 0.000 0.853 155 P CB -0.194 31.002 31.700 -0.840 0.000 0.788 156 G N -0.892 107.753 108.800 -0.259 0.000 2.470 156 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.220 156 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.220 156 G C 1.282 176.107 174.900 -0.126 0.000 1.121 156 G CA 0.674 45.703 45.100 -0.118 0.000 0.766 156 G HN 0.245 nan 8.290 nan 0.000 0.553 157 L N -1.004 120.092 121.223 -0.211 0.000 2.362 157 L HA 0.312 4.652 4.340 -0.000 0.000 0.204 157 L C 2.621 179.373 176.870 -0.196 0.000 1.060 157 L CA 0.048 54.786 54.840 -0.170 0.000 0.827 157 L CB -0.322 41.640 42.059 -0.163 0.000 1.027 157 L HN 0.080 nan 8.230 nan 0.000 0.474 158 L N -0.758 120.250 121.223 -0.358 0.000 2.095 158 L HA -0.032 4.308 4.340 -0.000 0.000 0.204 158 L C 2.245 179.065 176.870 -0.084 0.000 1.080 158 L CA 0.989 55.629 54.840 -0.334 0.000 0.759 158 L CB -0.362 41.342 42.059 -0.592 0.000 0.914 158 L HN 0.158 nan 8.230 nan 0.000 0.439 159 F N -0.191 119.692 119.950 -0.112 0.000 2.743 159 F HA -0.003 4.524 4.527 -0.000 0.000 0.297 159 F C 2.204 178.007 175.800 0.006 0.000 1.131 159 F CA 0.472 58.443 58.000 -0.048 0.000 1.426 159 F CB -1.319 37.669 39.000 -0.020 0.000 1.116 159 F HN 0.087 nan 8.300 nan 0.000 0.583 160 T N -1.841 112.800 114.554 0.146 0.000 3.223 160 T HA 0.310 4.660 4.350 -0.000 0.000 0.259 160 T C 0.413 175.155 174.700 0.070 0.000 1.015 160 T CA -0.097 62.068 62.100 0.108 0.000 0.908 160 T CB -0.769 68.145 68.868 0.076 0.000 1.054 160 T HN -0.034 nan 8.240 nan 0.000 0.567 161 L N 3.249 124.510 121.223 0.064 0.000 2.453 161 L HA 0.332 4.672 4.340 -0.000 0.000 0.272 161 L C -1.555 175.349 176.870 0.057 0.000 1.182 161 L CA -1.657 53.207 54.840 0.040 0.000 0.858 161 L CB 0.252 42.326 42.059 0.025 0.000 1.120 161 L HN 0.204 nan 8.230 nan 0.000 0.474 162 P HA 0.221 nan 4.420 nan 0.000 0.284 162 P C -0.879 176.479 177.300 0.095 0.000 1.258 162 P CA -0.640 62.508 63.100 0.080 0.000 0.824 162 P CB 1.277 33.035 31.700 0.097 0.000 1.038 163 A N 1.980 124.855 122.820 0.091 0.000 2.573 163 A HA -0.014 4.306 4.320 -0.000 0.000 0.250 163 A C 0.546 178.211 177.584 0.134 0.000 1.049 163 A CA 0.310 52.403 52.037 0.093 0.000 0.767 163 A CB -0.722 18.323 19.000 0.075 0.000 0.965 163 A HN 0.589 nan 8.150 nan 0.000 0.514 164 E N 3.781 124.062 120.200 0.134 0.000 2.229 164 E HA 0.413 4.763 4.350 -0.000 0.000 0.283 164 E C -2.124 174.567 176.600 0.153 0.000 1.030 164 E CA -1.774 54.738 56.400 0.187 0.000 0.836 164 E CB 0.667 30.458 29.700 0.151 0.000 1.068 164 E HN 0.524 nan 8.360 nan 0.000 0.401 165 P HA 0.221 nan 4.420 nan 0.000 0.275 165 P C -2.528 174.848 177.300 0.126 0.000 1.227 165 P CA -1.442 61.728 63.100 0.117 0.000 0.781 165 P CB 0.301 32.056 31.700 0.090 0.000 0.906 166 P HA 0.117 nan 4.420 nan 0.000 0.265 166 P C 0.888 178.253 177.300 0.109 0.000 1.187 166 P CA 1.135 64.291 63.100 0.093 0.000 0.766 166 P CB -0.052 31.691 31.700 0.072 0.000 0.820 167 G N 0.850 109.717 108.800 0.113 0.000 2.135 167 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.183 167 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.183 167 G C 0.066 175.071 174.900 0.175 0.000 1.004 167 G CA -0.381 44.793 45.100 0.123 0.000 0.677 167 G HN 0.578 nan 8.290 nan 0.000 0.512 168 T N 2.009 116.687 114.554 0.207 0.000 2.749 168 T HA 0.428 4.778 4.350 -0.000 0.000 0.295 168 T C 0.101 174.951 174.700 0.250 0.000 0.936 168 T CA -0.207 62.080 62.100 0.311 0.000 1.060 168 T CB 0.689 69.732 68.868 0.291 0.000 0.904 168 T HN 0.274 nan 8.240 nan 0.000 0.500 169 N N 3.906 122.791 118.700 0.307 0.000 2.501 169 N HA 0.265 5.005 4.740 -0.000 0.000 0.245 169 N C -0.943 174.753 175.510 0.310 0.000 0.974 169 N CA -0.378 52.845 53.050 0.290 0.000 0.941 169 N CB 1.679 40.339 38.487 0.287 0.000 1.122 169 N HN 0.527 nan 8.380 nan 0.000 0.507 170 L N 3.126 124.481 121.223 0.220 0.000 2.260 170 L HA 0.331 4.671 4.340 -0.000 0.000 0.289 170 L C -0.632 176.347 176.870 0.182 0.000 1.057 170 L CA -0.593 54.353 54.840 0.178 0.000 0.811 170 L CB 0.799 42.888 42.059 0.050 0.000 1.184 170 L HN 0.120 nan 8.230 nan 0.000 0.429 171 V N 6.246 126.261 119.914 0.168 0.000 2.277 171 V HA 0.186 4.306 4.120 -0.000 0.000 0.269 171 V C 0.157 176.271 176.094 0.033 0.000 1.036 171 V CA -0.605 61.771 62.300 0.125 0.000 0.821 171 V CB 1.380 33.241 31.823 0.065 0.000 1.052 171 V HN 0.419 nan 8.190 nan 0.000 0.462 172 V N 4.383 124.302 119.914 0.008 0.000 2.439 172 V HA 0.128 4.248 4.120 -0.000 0.000 0.271 172 V C 0.567 176.599 176.094 -0.103 0.000 1.040 172 V CA -0.202 62.038 62.300 -0.099 0.000 1.002 172 V CB 0.695 32.474 31.823 -0.072 0.000 1.000 172 V HN 0.923 nan 8.190 nan 0.000 0.477 173 C N 4.769 123.976 119.300 -0.156 0.000 2.539 173 C HA 0.696 5.156 4.460 -0.000 0.000 0.392 173 C C 0.841 175.747 174.990 -0.140 0.000 1.269 173 C CA -0.338 58.605 59.018 -0.126 0.000 2.250 173 C CB 0.462 28.127 27.740 -0.125 0.000 2.584 173 C HN 1.008 nan 8.230 nan 0.000 0.589 174 T N -0.103 114.392 114.554 -0.099 0.000 2.909 174 T HA 0.781 5.131 4.350 -0.000 0.000 0.299 174 T C -1.065 173.590 174.700 -0.076 0.000 1.073 174 T CA -0.514 61.535 62.100 -0.086 0.000 0.999 174 T CB 1.166 70.006 68.868 -0.047 0.000 1.098 174 T HN 0.484 nan 8.240 nan 0.000 0.477 175 V N 1.952 121.821 119.914 -0.075 0.000 3.078 175 V HA 0.721 4.841 4.120 -0.000 0.000 0.311 175 V C 0.546 176.638 176.094 -0.002 0.000 1.138 175 V CA -1.033 61.236 62.300 -0.052 0.000 1.007 175 V CB 2.283 34.046 31.823 -0.099 0.000 1.045 175 V HN 1.288 nan 8.190 nan 0.000 0.432 176 S N 1.984 117.690 115.700 0.010 0.000 2.579 176 S HA 0.216 4.686 4.470 -0.000 0.000 0.275 176 S C 0.855 175.482 174.600 0.046 0.000 1.345 176 S CA -0.186 58.027 58.200 0.021 0.000 1.031 176 S CB 0.765 63.974 63.200 0.014 0.000 0.892 176 S HN 0.740 nan 8.310 nan 0.000 0.529 177 L N 2.417 123.659 121.223 0.032 0.000 1.976 177 L HA 0.134 4.474 4.340 -0.000 0.000 0.209 177 L C -1.010 175.868 176.870 0.014 0.000 1.071 177 L CA 1.718 56.572 54.840 0.022 0.000 0.746 177 L CB -1.937 40.115 42.059 -0.012 0.000 0.890 177 L HN 0.551 nan 8.230 nan 0.000 0.432 178 P HA -0.124 nan 4.420 nan 0.000 0.220 178 P C 1.933 179.245 177.300 0.019 0.000 1.148 178 P CA 1.555 64.656 63.100 0.003 0.000 0.803 178 P CB -0.006 31.695 31.700 0.001 0.000 0.782 179 S N -1.846 113.875 115.700 0.035 0.000 2.395 179 S HA -0.163 4.307 4.470 -0.000 0.000 0.225 179 S C 1.951 176.599 174.600 0.081 0.000 1.027 179 S CA 0.683 58.908 58.200 0.041 0.000 0.965 179 S CB -0.976 62.240 63.200 0.026 0.000 0.812 179 S HN 0.268 nan 8.310 nan 0.000 0.482 180 H N 0.428 119.476 119.070 -0.036 0.000 2.421 180 H HA 0.099 4.655 4.556 -0.000 0.000 0.298 180 H C 1.421 176.719 175.328 -0.050 0.000 1.087 180 H CA 1.248 57.264 56.048 -0.053 0.000 1.330 180 H CB -0.051 29.665 29.762 -0.076 0.000 1.388 180 H HN 0.357 nan 8.280 nan 0.000 0.526 181 L N 0.909 122.163 121.223 0.051 0.000 2.650 181 L HA 0.006 4.346 4.340 -0.000 0.000 0.235 181 L C 1.781 178.664 176.870 0.021 0.000 1.149 181 L CA 0.625 55.453 54.840 -0.020 0.000 0.887 181 L CB 0.048 42.072 42.059 -0.059 0.000 1.021 181 L HN 0.371 nan 8.230 nan 0.000 0.441 182 S N -2.022 113.707 115.700 0.048 0.000 2.575 182 S HA 0.099 4.569 4.470 -0.000 0.000 0.230 182 S C 1.899 176.528 174.600 0.048 0.000 1.062 182 S CA -0.605 57.617 58.200 0.037 0.000 0.913 182 S CB 0.149 63.365 63.200 0.026 0.000 0.837 182 S HN 0.195 nan 8.310 nan 0.000 0.487 183 R N 1.581 122.121 120.500 0.067 0.000 2.148 183 R HA 0.135 4.475 4.340 -0.000 0.000 0.227 183 R C 1.885 178.235 176.300 0.083 0.000 1.103 183 R CA 1.002 57.138 56.100 0.061 0.000 0.983 183 R CB -1.019 29.306 30.300 0.042 0.000 0.874 183 R HN 0.464 nan 8.270 nan 0.000 0.451 184 V N 0.763 120.741 119.914 0.107 0.000 2.365 184 V HA 0.060 4.179 4.120 -0.000 0.000 0.232 184 V C 1.799 177.940 176.094 0.078 0.000 1.065 184 V CA 1.254 63.629 62.300 0.124 0.000 1.054 184 V CB -1.198 30.716 31.823 0.152 0.000 0.685 184 V HN 0.374 nan 8.190 nan 0.000 0.480 193 T N -1.221 113.041 114.554 -0.487 0.000 3.097 193 T HA 0.907 5.257 4.350 -0.000 0.000 0.332 193 T C -0.353 174.374 174.700 0.046 0.000 1.269 193 T CA 0.148 62.162 62.100 -0.142 0.000 1.076 193 T CB 0.647 69.466 68.868 -0.082 0.000 1.209 193 T HN 2.070 nan 8.240 nan 0.000 0.474 194 V N 2.872 122.812 119.914 0.044 0.000 2.288 194 V HA 0.705 4.825 4.120 -0.000 0.000 0.266 194 V C 0.004 176.124 176.094 0.044 0.000 1.048 194 V CA -0.674 61.663 62.300 0.062 0.000 0.842 194 V CB -0.229 31.611 31.823 0.029 0.000 1.064 194 V HN 0.936 nan 8.190 nan 0.000 0.472 195 N N 3.955 122.700 118.700 0.075 0.000 2.461 195 N HA 0.581 5.321 4.740 -0.000 0.000 0.284 195 N C 0.322 175.859 175.510 0.044 0.000 1.049 195 N CA -0.846 52.237 53.050 0.056 0.000 0.889 195 N CB 2.217 40.750 38.487 0.075 0.000 1.365 195 N HN 0.353 nan 8.380 nan 0.000 0.499 196 L N 1.782 123.000 121.223 -0.008 0.000 1.965 196 L HA -0.181 4.159 4.340 -0.000 0.000 0.226 196 L C -0.613 176.244 176.870 -0.021 0.000 1.083 196 L CA 2.064 56.877 54.840 -0.044 0.000 0.790 196 L CB -1.679 40.352 42.059 -0.047 0.000 0.898 196 L HN 0.503 nan 8.230 nan 0.000 0.439 197 P HA -0.303 nan 4.420 nan 0.000 0.224 197 P C 1.558 178.884 177.300 0.044 0.000 1.153 197 P CA 2.061 65.170 63.100 0.015 0.000 0.947 197 P CB -0.162 31.560 31.700 0.037 0.000 0.790 198 F N -0.600 119.322 119.950 -0.046 0.000 2.113 198 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 198 F C 2.141 177.897 175.800 -0.073 0.000 1.103 198 F CA 1.125 59.102 58.000 -0.038 0.000 1.248 198 F CB -0.929 38.097 39.000 0.044 0.000 0.999 198 F HN -0.295 nan 8.300 nan 0.000 0.475 199 V N 0.250 120.126 119.914 -0.062 0.000 2.220 199 V HA -0.375 3.745 4.120 -0.000 0.000 0.246 199 V C 2.457 178.398 176.094 -0.256 0.000 1.049 199 V CA 2.266 64.420 62.300 -0.244 0.000 1.003 199 V CB -0.703 30.930 31.823 -0.316 0.000 0.634 199 V HN 0.367 nan 8.190 nan 0.000 0.444 200 M N -0.361 119.125 119.600 -0.190 0.000 2.116 200 M HA -0.201 4.279 4.480 -0.000 0.000 0.255 200 M C 1.871 178.064 176.300 -0.178 0.000 1.075 200 M CA 1.894 57.102 55.300 -0.154 0.000 1.087 200 M CB -0.671 31.861 32.600 -0.114 0.000 1.340 200 M HN 0.193 nan 8.290 nan 0.000 0.402 201 V N -0.894 118.879 119.914 -0.234 0.000 2.283 201 V HA -0.220 3.900 4.120 -0.000 0.000 0.243 201 V C 2.212 178.100 176.094 -0.343 0.000 1.039 201 V CA 1.464 63.597 62.300 -0.279 0.000 1.016 201 V CB -0.799 30.844 31.823 -0.300 0.000 0.650 201 V HN 0.470 nan 8.190 nan 0.000 0.449 202 L N 0.621 121.543 121.223 -0.501 0.000 1.997 202 L HA -0.234 4.106 4.340 -0.000 0.000 0.216 202 L C 2.672 179.418 176.870 -0.206 0.000 1.074 202 L CA 2.069 56.608 54.840 -0.502 0.000 0.763 202 L CB -0.774 40.900 42.059 -0.641 0.000 0.890 202 L HN 0.279 nan 8.230 nan 0.000 0.434 203 R N -0.612 119.808 120.500 -0.133 0.000 2.094 203 R HA -0.220 4.120 4.340 -0.000 0.000 0.239 203 R C 2.089 178.372 176.300 -0.028 0.000 1.137 203 R CA 2.009 58.093 56.100 -0.027 0.000 0.943 203 R CB -0.985 29.300 30.300 -0.025 0.000 0.850 203 R HN 0.526 nan 8.270 nan 0.000 0.433 204 N N 0.131 118.780 118.700 -0.085 0.000 2.036 204 N HA -0.181 4.559 4.740 -0.000 0.000 0.195 204 N C 1.855 177.312 175.510 -0.088 0.000 1.037 204 N CA 1.712 54.715 53.050 -0.078 0.000 0.855 204 N CB -0.157 38.263 38.487 -0.111 0.000 1.033 204 N HN -0.035 nan 8.380 nan 0.000 0.423 205 V N 0.370 120.185 119.914 -0.165 0.000 2.231 205 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 205 V C 1.688 177.672 176.094 -0.183 0.000 1.054 205 V CA 1.738 63.908 62.300 -0.217 0.000 1.015 205 V CB -0.903 30.712 31.823 -0.348 0.000 0.638 205 V HN 0.344 nan 8.190 nan 0.000 0.444 206 Y N -0.587 119.627 120.300 -0.143 0.000 2.151 206 Y HA -0.240 4.310 4.550 -0.000 0.000 0.284 206 Y C 2.432 178.287 175.900 -0.074 0.000 1.166 206 Y CA 1.488 59.525 58.100 -0.105 0.000 1.163 206 Y CB -0.417 37.984 38.460 -0.099 0.000 0.974 206 Y HN 0.114 nan 8.280 nan 0.000 0.511 207 I N -0.419 120.206 120.570 0.092 0.000 2.163 207 I HA -0.373 3.797 4.170 -0.000 0.000 0.243 207 I C 2.316 178.449 176.117 0.026 0.000 1.085 207 I CA 1.722 63.053 61.300 0.051 0.000 1.347 207 I CB -1.164 36.854 38.000 0.029 0.000 1.044 207 I HN 0.338 nan 8.210 nan 0.000 0.408 208 M N -0.301 119.296 119.600 -0.006 0.000 2.073 208 M HA -0.283 4.197 4.480 -0.000 0.000 0.258 208 M C 2.379 178.658 176.300 -0.034 0.000 1.070 208 M CA 1.760 57.048 55.300 -0.020 0.000 1.103 208 M CB -0.552 32.019 32.600 -0.049 0.000 1.321 208 M HN 0.222 nan 8.290 nan 0.000 0.405 209 L N 0.683 121.866 121.223 -0.066 0.000 1.997 209 L HA -0.343 3.997 4.340 -0.000 0.000 0.227 209 L C 2.367 179.230 176.870 -0.012 0.000 1.087 209 L CA 1.954 56.752 54.840 -0.070 0.000 0.797 209 L CB -0.432 41.589 42.059 -0.063 0.000 0.902 209 L HN 0.334 nan 8.230 nan 0.000 0.441 210 I N -0.041 120.544 120.570 0.025 0.000 2.087 210 I HA -0.407 3.763 4.170 -0.000 0.000 0.240 210 I C 2.253 178.393 176.117 0.039 0.000 1.054 210 I CA 1.838 63.154 61.300 0.026 0.000 1.311 210 I CB -0.717 37.302 38.000 0.032 0.000 1.024 210 I HN 0.456 nan 8.210 nan 0.000 0.402 211 N N 0.480 119.210 118.700 0.050 0.000 2.137 211 N HA -0.163 4.577 4.740 -0.000 0.000 0.190 211 N C 1.789 177.383 175.510 0.141 0.000 1.017 211 N CA 1.991 55.094 53.050 0.088 0.000 0.859 211 N CB -0.687 37.846 38.487 0.078 0.000 1.002 211 N HN 0.413 nan 8.380 nan 0.000 0.428 212 T N 1.755 116.361 114.554 0.087 0.000 2.777 212 T HA 0.023 4.373 4.350 -0.000 0.000 0.266 212 T C 2.129 176.953 174.700 0.206 0.000 1.040 212 T CA 0.643 62.819 62.100 0.127 0.000 1.141 212 T CB -0.104 68.744 68.868 -0.033 0.000 0.868 212 T HN 0.205 nan 8.240 nan 0.000 0.444 213 I N 0.740 121.375 120.570 0.108 0.000 2.142 213 I HA -0.147 4.023 4.170 -0.000 0.000 0.240 213 I C 2.322 178.509 176.117 0.116 0.000 1.078 213 I CA 1.417 62.771 61.300 0.089 0.000 1.343 213 I CB -0.547 37.462 38.000 0.015 0.000 1.046 213 I HN 0.193 nan 8.210 nan 0.000 0.405 214 I N 0.405 121.035 120.570 0.100 0.000 2.099 214 I HA -0.355 3.815 4.170 -0.000 0.000 0.239 214 I C 2.615 178.814 176.117 0.136 0.000 1.066 214 I CA 1.739 63.089 61.300 0.084 0.000 1.324 214 I CB -0.561 37.482 38.000 0.071 0.000 1.037 214 I HN 0.136 nan 8.210 nan 0.000 0.401 215 F N 1.532 121.522 119.950 0.066 0.000 2.045 215 F HA -0.315 4.212 4.527 -0.000 0.000 0.297 215 F C 2.190 178.049 175.800 0.097 0.000 1.114 215 F CA 1.827 59.882 58.000 0.091 0.000 1.207 215 F CB -0.408 38.679 39.000 0.145 0.000 0.964 215 F HN -0.081 nan 8.300 nan 0.000 0.486 216 L N 0.661 122.145 121.223 0.435 0.000 2.261 216 L HA -0.206 4.134 4.340 -0.000 0.000 0.216 216 L C 2.236 179.169 176.870 0.106 0.000 1.114 216 L CA 1.452 56.479 54.840 0.311 0.000 0.777 216 L CB -1.139 41.125 42.059 0.342 0.000 0.910 216 L HN 0.099 nan 8.230 nan 0.000 0.440 217 K N -1.039 119.394 120.400 0.056 0.000 2.097 217 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 217 K C 1.827 178.408 176.600 -0.032 0.000 1.049 217 K CA 1.667 57.962 56.287 0.012 0.000 0.933 217 K CB -0.314 32.187 32.500 0.002 0.000 0.717 217 K HN 0.389 nan 8.250 nan 0.000 0.442 218 T N 0.894 115.391 114.554 -0.095 0.000 3.053 218 T HA 0.070 4.420 4.350 -0.000 0.000 0.236 218 T C 0.794 175.391 174.700 -0.172 0.000 0.996 218 T CA -0.017 62.004 62.100 -0.132 0.000 1.185 218 T CB 0.022 68.791 68.868 -0.165 0.000 0.892 218 T HN 0.130 nan 8.240 nan 0.000 0.432 219 N N 2.224 120.732 118.700 -0.321 0.000 2.482 219 N HA 0.231 4.971 4.740 -0.000 0.000 0.279 219 N C -0.703 174.726 175.510 -0.136 0.000 1.182 219 N CA -0.435 52.425 53.050 -0.316 0.000 0.969 219 N CB 0.953 39.084 38.487 -0.594 0.000 1.201 219 N HN 0.290 nan 8.380 nan 0.000 0.523 220 N N 0.441 119.103 118.700 -0.062 0.000 2.493 220 N HA 0.065 4.805 4.740 -0.000 0.000 0.275 220 N C 1.262 176.805 175.510 0.056 0.000 1.186 220 N CA -0.728 52.326 53.050 0.007 0.000 0.978 220 N CB 1.186 39.615 38.487 -0.097 0.000 1.184 220 N HN 0.670 nan 8.380 nan 0.000 0.487 221 W N 2.309 123.554 121.300 -0.092 0.000 2.392 221 W HA -0.115 4.545 4.660 -0.000 0.000 0.279 221 W C 0.632 176.940 176.519 -0.352 0.000 1.225 221 W CA 0.488 57.517 57.345 -0.525 0.000 1.233 221 W CB -0.982 27.944 29.460 -0.891 0.000 1.122 221 W HN 0.566 nan 8.180 nan 0.000 0.561 222 H N 1.928 120.319 119.070 -1.131 0.000 2.787 222 H HA 0.352 4.908 4.556 -0.000 0.000 0.302 222 H C 1.435 176.552 175.328 -0.351 0.000 1.098 222 H CA 0.334 55.766 56.048 -1.027 0.000 1.192 222 H CB -0.579 28.459 29.762 -1.207 0.000 1.316 222 H HN 0.149 nan 8.280 nan 0.000 0.590 223 A N -0.213 122.622 122.820 0.025 0.000 3.289 223 A HA 0.118 4.438 4.320 -0.000 0.000 0.157 223 A C 2.051 179.728 177.584 0.156 0.000 1.293 223 A CA 0.526 52.634 52.037 0.119 0.000 0.896 223 A CB -1.141 18.038 19.000 0.299 0.000 0.998 223 A HN 0.466 nan 8.150 nan 0.000 0.519 224 G N -1.247 107.655 108.800 0.170 0.000 3.375 224 G HA2 0.047 4.007 3.960 -0.000 0.000 0.247 224 G HA3 0.047 4.007 3.960 -0.000 0.000 0.247 224 G C 0.809 175.774 174.900 0.109 0.000 1.343 224 G CA 0.150 45.317 45.100 0.112 0.000 1.368 224 G HN 0.598 nan 8.290 nan 0.000 0.549 225 W N 0.925 122.206 121.300 -0.031 0.000 2.335 225 W HA -0.118 4.542 4.660 -0.000 0.000 0.311 225 W C 0.870 177.342 176.519 -0.079 0.000 1.213 225 W CA 0.945 58.241 57.345 -0.081 0.000 1.274 225 W CB 0.037 29.377 29.460 -0.200 0.000 1.148 225 W HN 0.256 nan 8.180 nan 0.000 0.498 226 N N 0.222 118.980 118.700 0.098 0.000 2.501 226 N HA -0.080 4.660 4.740 -0.000 0.000 0.195 226 N C 1.158 176.613 175.510 -0.091 0.000 1.213 226 N CA 1.581 54.620 53.050 -0.017 0.000 0.864 226 N CB -0.058 38.496 38.487 0.112 0.000 0.999 226 N HN 0.266 nan 8.380 nan 0.000 0.454 227 T N -3.425 111.060 114.554 -0.116 0.000 3.043 227 T HA 0.252 4.602 4.350 -0.000 0.000 0.272 227 T C 0.424 175.019 174.700 -0.175 0.000 0.990 227 T CA -0.281 61.755 62.100 -0.105 0.000 0.897 227 T CB 0.151 68.993 68.868 -0.044 0.000 1.111 227 T HN -0.057 nan 8.240 nan 0.000 0.529 228 L N 4.002 125.047 121.223 -0.298 0.000 2.260 228 L HA 0.451 4.791 4.340 -0.000 0.000 0.289 228 L C 0.407 176.997 176.870 -0.467 0.000 1.057 228 L CA -0.730 53.883 54.840 -0.380 0.000 0.811 228 L CB 1.073 42.829 42.059 -0.506 0.000 1.184 228 L HN 0.426 nan 8.230 nan 0.000 0.429 229 S N 3.244 118.749 115.700 -0.324 0.000 2.572 229 S HA 0.247 4.717 4.470 -0.000 0.000 0.279 229 S C 0.004 174.436 174.600 -0.281 0.000 1.341 229 S CA -0.661 57.391 58.200 -0.247 0.000 1.043 229 S CB 0.433 63.544 63.200 -0.148 0.000 0.887 229 S HN 0.268 nan 8.310 nan 0.000 0.516 230 F N 0.415 120.278 119.950 -0.145 0.000 2.587 230 F HA 0.136 4.663 4.527 -0.000 0.000 0.327 230 F C 1.505 177.286 175.800 -0.031 0.000 1.232 230 F CA -0.338 57.603 58.000 -0.099 0.000 1.353 230 F CB 0.231 39.207 39.000 -0.040 0.000 1.156 230 F HN 0.726 nan 8.300 nan 0.000 0.599 231 C N 4.052 123.520 119.300 0.281 0.000 2.464 231 C HA 0.374 4.834 4.460 -0.000 0.000 0.370 231 C C -0.116 175.047 174.990 0.288 0.000 1.267 231 C CA -0.743 58.471 59.018 0.326 0.000 1.781 231 C CB -2.229 25.735 27.740 0.372 0.000 2.431 231 C HN 0.836 nan 8.230 nan 0.000 0.556 232 N N 2.764 121.627 118.700 0.271 0.000 2.531 232 N HA 0.464 5.204 4.740 -0.000 0.000 0.290 232 N C 0.041 175.641 175.510 0.150 0.000 1.257 232 N CA -0.720 52.436 53.050 0.176 0.000 0.863 232 N CB 0.633 39.199 38.487 0.131 0.000 1.320 232 N HN 0.459 nan 8.380 nan 0.000 0.538 233 D N -0.745 119.701 120.400 0.078 0.000 2.219 233 D HA -0.083 4.557 4.640 -0.000 0.000 0.205 233 D C 1.495 177.824 176.300 0.047 0.000 0.970 233 D CA 0.817 54.836 54.000 0.031 0.000 0.851 233 D CB -0.019 40.785 40.800 0.007 0.000 0.943 233 D HN 0.321 nan 8.370 nan 0.000 0.488 234 V N 0.449 120.413 119.914 0.083 0.000 2.358 234 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 234 V C 1.944 178.129 176.094 0.153 0.000 1.047 234 V CA 1.328 63.680 62.300 0.088 0.000 1.035 234 V CB -0.648 31.224 31.823 0.081 0.000 0.658 234 V HN 0.273 nan 8.190 nan 0.000 0.452 235 F N 1.198 121.147 119.950 -0.002 0.000 2.075 235 F HA -0.241 4.286 4.527 -0.000 0.000 0.297 235 F C 2.607 178.399 175.800 -0.013 0.000 1.113 235 F CA 1.813 59.811 58.000 -0.003 0.000 1.218 235 F CB -0.049 38.956 39.000 0.008 0.000 0.984 235 F HN 0.015 nan 8.300 nan 0.000 0.472 236 K N -0.154 120.180 120.400 -0.111 0.000 2.113 236 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 236 K C 2.005 178.505 176.600 -0.166 0.000 1.047 236 K CA 1.446 57.579 56.287 -0.258 0.000 0.928 236 K CB -0.300 32.091 32.500 -0.182 0.000 0.716 236 K HN 0.365 nan 8.250 nan 0.000 0.446 237 Q N 1.137 120.896 119.800 -0.069 0.000 2.061 237 Q HA -0.147 4.192 4.340 -0.000 0.000 0.204 237 Q C 1.935 177.910 176.000 -0.042 0.000 0.984 237 Q CA 1.557 57.334 55.803 -0.044 0.000 0.846 237 Q CB -0.131 28.602 28.738 -0.008 0.000 0.902 237 Q HN 0.347 nan 8.270 nan 0.000 0.421 238 K N 0.386 120.779 120.400 -0.012 0.000 2.026 238 K HA -0.069 4.251 4.320 -0.000 0.000 0.208 238 K C 2.250 178.818 176.600 -0.053 0.000 1.048 238 K CA 0.865 57.153 56.287 0.002 0.000 0.929 238 K CB -0.246 32.303 32.500 0.082 0.000 0.713 238 K HN 0.150 nan 8.250 nan 0.000 0.439 239 L N 1.025 122.166 121.223 -0.137 0.000 2.261 239 L HA -0.225 4.114 4.340 -0.000 0.000 0.216 239 L C 1.977 178.758 176.870 -0.149 0.000 1.114 239 L CA 1.237 55.963 54.840 -0.190 0.000 0.777 239 L CB -0.304 41.538 42.059 -0.362 0.000 0.910 239 L HN 0.280 nan 8.230 nan 0.000 0.440 240 Q N -1.038 118.691 119.800 -0.119 0.000 2.356 240 Q HA 0.001 4.341 4.340 -0.000 0.000 0.205 240 Q C 1.518 177.477 176.000 -0.067 0.000 0.901 240 Q CA 0.326 56.074 55.803 -0.092 0.000 0.938 240 Q CB 0.540 29.233 28.738 -0.075 0.000 1.081 240 Q HN 0.458 nan 8.270 nan 0.000 0.517 241 K N -0.718 119.647 120.400 -0.058 0.000 2.418 241 K HA 0.074 4.394 4.320 -0.000 0.000 0.208 241 K C 1.838 178.416 176.600 -0.037 0.000 1.261 241 K CA 0.934 57.196 56.287 -0.041 0.000 0.874 241 K CB 0.423 32.906 32.500 -0.028 0.000 1.451 241 K HN -0.001 nan 8.250 nan 0.000 0.466 242 S N 1.025 116.708 115.700 -0.028 0.000 2.548 242 S HA 0.007 4.477 4.470 -0.000 0.000 0.215 242 S C 0.545 175.132 174.600 -0.021 0.000 0.976 242 S CA 0.173 58.362 58.200 -0.019 0.000 0.908 242 S CB 0.147 63.345 63.200 -0.004 0.000 0.781 242 S HN 0.384 nan 8.310 nan 0.000 0.519 243 E N 0.318 120.498 120.200 -0.034 0.000 2.389 243 E HA -0.299 4.051 4.350 -0.000 0.000 0.243 243 E C 0.852 177.446 176.600 -0.010 0.000 1.154 243 E CA 0.397 56.778 56.400 -0.031 0.000 0.723 243 E CB -2.242 27.441 29.700 -0.029 0.000 1.261 243 E HN 0.843 nan 8.360 nan 0.000 0.390 244 C N -0.287 119.014 119.300 0.002 0.000 3.617 244 C HA -0.053 4.406 4.460 -0.000 0.000 0.295 244 C C 1.569 176.577 174.990 0.029 0.000 1.224 244 C CA 0.223 59.256 59.018 0.024 0.000 1.817 244 C CB -1.115 26.654 27.740 0.049 0.000 2.043 244 C HN 0.604 nan 8.230 nan 0.000 0.427 245 I N 2.836 123.435 120.570 0.048 0.000 2.815 245 I HA -0.171 3.999 4.170 -0.000 0.000 0.154 245 I C 0.347 176.484 176.117 0.033 0.000 0.904 245 I CA 1.288 62.617 61.300 0.049 0.000 2.718 245 I CB -1.581 36.445 38.000 0.043 0.000 0.629 245 I HN 0.638 nan 8.210 nan 0.000 0.355 246 K N 6.200 126.621 120.400 0.035 0.000 2.156 246 K HA 0.451 4.771 4.320 -0.000 0.000 0.271 246 K C 0.041 176.661 176.600 0.034 0.000 0.995 246 K CA -0.984 55.321 56.287 0.029 0.000 0.890 246 K CB 1.959 34.475 32.500 0.026 0.000 1.073 246 K HN 0.412 nan 8.250 nan 0.000 0.454 247 L N 5.190 126.432 121.223 0.031 0.000 2.477 247 L HA 0.092 4.432 4.340 -0.000 0.000 0.272 247 L C -0.268 176.624 176.870 0.036 0.000 1.157 247 L CA 0.277 55.138 54.840 0.035 0.000 0.889 247 L CB -0.009 42.068 42.059 0.030 0.000 1.158 247 L HN 0.653 nan 8.230 nan 0.000 0.473 248 R N 3.042 123.568 120.500 0.044 0.000 2.673 248 R HA 0.359 4.699 4.340 -0.000 0.000 0.281 248 R C 0.191 176.519 176.300 0.045 0.000 0.991 248 R CA -0.972 55.153 56.100 0.043 0.000 0.896 248 R CB 1.277 31.604 30.300 0.045 0.000 1.201 248 R HN 0.439 nan 8.270 nan 0.000 0.457 249 E N 1.095 121.317 120.200 0.036 0.000 2.119 249 E HA -0.186 4.164 4.350 -0.000 0.000 0.221 249 E C 0.375 176.996 176.600 0.035 0.000 1.062 249 E CA 1.718 58.136 56.400 0.031 0.000 0.894 249 E CB -0.105 29.610 29.700 0.025 0.000 0.785 249 E HN 0.381 nan 8.360 nan 0.000 0.472 250 V N 3.817 123.754 119.914 0.040 0.000 2.284 250 V HA 0.174 4.294 4.120 -0.000 0.000 0.274 250 V C -2.090 174.052 176.094 0.080 0.000 1.023 250 V CA -1.350 60.976 62.300 0.044 0.000 0.808 250 V CB 1.496 33.333 31.823 0.023 0.000 1.035 250 V HN 0.113 nan 8.190 nan 0.000 0.445 251 P HA 0.324 nan 4.420 nan 0.000 0.271 251 P C -0.006 177.492 177.300 0.329 0.000 1.218 251 P CA 0.218 63.441 63.100 0.206 0.000 0.780 251 P CB 1.664 33.512 31.700 0.247 0.000 0.901 252 G N 1.520 110.503 108.800 0.305 0.000 2.511 252 G HA2 0.306 4.266 3.960 -0.000 0.000 0.318 252 G HA3 0.306 4.266 3.960 -0.000 0.000 0.318 252 G C 0.875 175.933 174.900 0.264 0.000 1.210 252 G CA -0.710 44.611 45.100 0.368 0.000 0.969 252 G HN 0.400 nan 8.290 nan 0.000 0.484 253 I N 0.638 121.367 120.570 0.266 0.000 2.181 253 I HA -0.184 3.986 4.170 -0.000 0.000 0.247 253 I C 2.641 178.685 176.117 -0.120 0.000 1.081 253 I CA 1.802 62.988 61.300 -0.191 0.000 1.340 253 I CB -0.312 37.694 38.000 0.010 0.000 1.036 253 I HN 0.751 nan 8.210 nan 0.000 0.417 254 E N -0.501 119.675 120.200 -0.040 0.000 2.511 254 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 254 E C 0.610 177.193 176.600 -0.027 0.000 1.066 254 E CA 0.618 56.980 56.400 -0.064 0.000 0.871 254 E CB -0.361 29.287 29.700 -0.087 0.000 0.863 254 E HN 0.522 nan 8.360 nan 0.000 0.520 255 D N 1.572 121.973 120.400 0.002 0.000 2.369 255 D HA 0.019 4.659 4.640 -0.000 0.000 0.211 255 D C 0.979 177.293 176.300 0.023 0.000 1.077 255 D CA 0.486 54.505 54.000 0.033 0.000 0.842 255 D CB 0.689 41.526 40.800 0.062 0.000 0.947 255 D HN 0.326 nan 8.370 nan 0.000 0.509 256 T N -2.382 112.159 114.554 -0.022 0.000 2.920 256 T HA 0.349 4.699 4.350 -0.000 0.000 0.292 256 T C 1.421 176.095 174.700 -0.043 0.000 1.093 256 T CA -0.552 61.522 62.100 -0.043 0.000 0.944 256 T CB 0.589 69.396 68.868 -0.101 0.000 1.605 256 T HN -0.139 nan 8.240 nan 0.000 0.590 257 L N -0.983 120.147 121.223 -0.156 0.000 2.477 257 L HA 0.273 4.613 4.340 -0.000 0.000 0.220 257 L C 2.020 178.774 176.870 -0.193 0.000 1.106 257 L CA 0.232 54.944 54.840 -0.214 0.000 0.851 257 L CB -0.311 41.533 42.059 -0.358 0.000 0.994 257 L HN 0.507 nan 8.230 nan 0.000 0.462 258 F N 0.441 120.392 119.950 0.003 0.000 2.451 258 F HA -0.087 4.440 4.527 -0.000 0.000 0.299 258 F C 2.473 178.324 175.800 0.085 0.000 1.101 258 F CA 0.867 58.938 58.000 0.118 0.000 1.436 258 F CB -0.586 38.505 39.000 0.152 0.000 1.074 258 F HN 0.030 nan 8.300 nan 0.000 0.553 259 A N -0.581 122.331 122.820 0.154 0.000 2.015 259 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 259 A C 2.172 179.869 177.584 0.188 0.000 1.163 259 A CA 1.531 53.611 52.037 0.071 0.000 0.646 259 A CB -0.782 18.245 19.000 0.044 0.000 0.806 259 A HN 0.189 nan 8.150 nan 0.000 0.448 260 V N -0.639 119.395 119.914 0.199 0.000 3.590 260 V HA 0.074 4.194 4.120 -0.000 0.000 0.265 260 V C 1.916 178.064 176.094 0.091 0.000 1.239 260 V CA 0.705 63.119 62.300 0.189 0.000 1.117 260 V CB -0.086 31.782 31.823 0.074 0.000 0.818 260 V HN 0.527 nan 8.190 nan 0.000 0.451 261 L N -0.214 121.079 121.223 0.117 0.000 2.529 261 L HA 0.168 4.508 4.340 -0.000 0.000 0.223 261 L C 1.302 178.355 176.870 0.305 0.000 1.113 261 L CA 0.146 55.075 54.840 0.148 0.000 0.861 261 L CB -0.001 42.166 42.059 0.180 0.000 1.012 261 L HN 0.110 nan 8.230 nan 0.000 0.461 262 K N 2.269 122.796 120.400 0.212 0.000 2.095 262 K HA 0.225 4.545 4.320 -0.000 0.000 0.258 262 K C -0.904 175.835 176.600 0.232 0.000 1.120 262 K CA 0.436 56.721 56.287 -0.003 0.000 1.026 262 K CB -0.621 31.474 32.500 -0.674 0.000 1.256 262 K HN 0.104 nan 8.250 nan 0.000 0.360 263 L N 5.854 127.284 121.223 0.345 0.000 2.346 263 L HA 0.402 4.742 4.340 -0.000 0.000 0.276 263 L C -1.655 175.415 176.870 0.333 0.000 1.006 263 L CA -2.637 52.391 54.840 0.312 0.000 0.817 263 L CB 1.952 44.075 42.059 0.107 0.000 1.272 263 L HN 0.333 nan 8.230 nan 0.000 0.421 264 P HA -0.174 nan 4.420 nan 0.000 0.217 264 P C 0.714 178.069 177.300 0.092 0.000 1.148 264 P CA 1.160 64.255 63.100 -0.007 0.000 0.828 264 P CB 0.326 31.932 31.700 -0.157 0.000 0.783 265 E N -1.212 119.052 120.200 0.106 0.000 2.409 265 E HA -0.051 4.299 4.350 -0.000 0.000 0.198 265 E C 1.475 178.189 176.600 0.190 0.000 1.024 265 E CA 0.707 57.175 56.400 0.113 0.000 0.861 265 E CB -0.581 29.162 29.700 0.071 0.000 0.788 265 E HN 0.305 nan 8.360 nan 0.000 0.521 266 L N -0.824 120.545 121.223 0.242 0.000 2.638 266 L HA 0.225 4.565 4.340 -0.000 0.000 0.232 266 L C 0.189 177.334 176.870 0.458 0.000 1.099 266 L CA -0.303 54.777 54.840 0.400 0.000 0.883 266 L CB 0.523 42.748 42.059 0.278 0.000 1.136 266 L HN 0.102 nan 8.230 nan 0.000 0.492 267 C N -0.193 119.314 119.300 0.345 0.000 2.349 267 C HA 0.759 5.219 4.460 -0.000 0.000 0.361 267 C C 1.216 176.309 174.990 0.172 0.000 1.189 267 C CA -0.899 58.306 59.018 0.311 0.000 2.155 267 C CB 1.104 29.097 27.740 0.422 0.000 2.336 267 C HN 0.425 nan 8.230 nan 0.000 0.540 268 G N -0.380 108.489 108.800 0.115 0.000 2.583 268 G HA2 0.335 4.295 3.960 -0.000 0.000 0.280 268 G HA3 0.335 4.295 3.960 -0.000 0.000 0.280 268 G C 0.697 175.588 174.900 -0.015 0.000 1.376 268 G CA -0.011 45.086 45.100 -0.004 0.000 1.043 268 G HN 0.855 nan 8.290 nan 0.000 0.538 269 E N -0.801 119.319 120.200 -0.133 0.000 2.035 269 E HA -0.191 4.159 4.350 -0.000 0.000 0.204 269 E C 2.022 178.706 176.600 0.140 0.000 1.025 269 E CA 1.509 57.868 56.400 -0.068 0.000 0.835 269 E CB -0.298 29.273 29.700 -0.213 0.000 0.764 269 E HN 0.534 nan 8.360 nan 0.000 0.457 270 F N -0.411 119.580 119.950 0.069 0.000 2.494 270 F HA 0.022 4.549 4.527 -0.000 0.000 0.298 270 F C 1.569 177.448 175.800 0.131 0.000 1.106 270 F CA 0.100 58.151 58.000 0.085 0.000 1.452 270 F CB 0.065 39.114 39.000 0.081 0.000 1.085 270 F HN 0.387 nan 8.300 nan 0.000 0.569 271 G N 0.848 109.831 108.800 0.304 0.000 2.140 271 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.211 271 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.211 271 G C -0.488 174.664 174.900 0.419 0.000 1.013 271 G CA -0.595 44.722 45.100 0.362 0.000 0.705 271 G HN 0.295 nan 8.290 nan 0.000 0.508 272 N N -0.101 118.805 118.700 0.342 0.000 2.405 272 N HA 0.453 5.193 4.740 -0.000 0.000 0.299 272 N C 0.257 175.966 175.510 0.331 0.000 1.075 272 N CA -0.609 52.650 53.050 0.348 0.000 0.884 272 N CB 1.884 40.531 38.487 0.267 0.000 1.194 272 N HN 0.383 nan 8.380 nan 0.000 0.491 273 I N 2.730 123.529 120.570 0.382 0.000 2.517 273 I HA -0.006 4.164 4.170 -0.000 0.000 0.285 273 I C -0.245 175.975 176.117 0.171 0.000 1.106 273 I CA -0.480 61.017 61.300 0.329 0.000 1.402 273 I CB 0.318 38.478 38.000 0.267 0.000 1.399 273 I HN 0.298 nan 8.210 nan 0.000 0.535 274 L N 10.466 131.765 121.223 0.127 0.000 2.543 274 L HA 0.002 4.342 4.340 -0.000 0.000 0.285 274 L C -1.449 175.292 176.870 -0.214 0.000 1.236 274 L CA -0.166 54.614 54.840 -0.100 0.000 0.871 274 L CB -0.411 41.479 42.059 -0.282 0.000 1.121 274 L HN 0.551 nan 8.230 nan 0.000 0.501 275 P HA -0.282 nan 4.420 nan 0.000 0.212 275 P C 1.796 178.681 177.300 -0.693 0.000 1.128 275 P CA 1.617 64.460 63.100 -0.428 0.000 0.961 275 P CB 0.062 31.478 31.700 -0.473 0.000 0.782 276 L N -2.501 118.213 121.223 -0.848 0.000 1.997 276 L HA -0.224 4.116 4.340 -0.000 0.000 0.216 276 L C 2.664 179.341 176.870 -0.322 0.000 1.074 276 L CA 1.966 56.341 54.840 -0.775 0.000 0.763 276 L CB -1.181 40.410 42.059 -0.781 0.000 0.890 276 L HN 0.158 nan 8.230 nan 0.000 0.434 277 W N -0.512 120.555 121.300 -0.388 0.000 2.341 277 W HA -0.264 4.396 4.660 -0.000 0.000 0.283 277 W C 2.587 178.647 176.519 -0.765 0.000 1.215 277 W CA -0.043 56.945 57.345 -0.595 0.000 1.211 277 W CB -0.347 28.983 29.460 -0.217 0.000 1.131 277 W HN 0.248 nan 8.180 nan 0.000 0.552 278 A N 0.292 122.994 122.820 -0.197 0.000 1.841 278 A HA -0.183 4.137 4.320 -0.000 0.000 0.214 278 A C 1.479 179.034 177.584 -0.049 0.000 1.195 278 A CA 1.417 53.376 52.037 -0.130 0.000 0.611 278 A CB -1.456 17.639 19.000 0.159 0.000 0.835 278 A HN 0.316 nan 8.150 nan 0.000 0.443 279 W N 0.105 121.310 121.300 -0.157 0.000 2.290 279 W HA -0.169 4.491 4.660 -0.000 0.000 0.311 279 W C 2.496 178.883 176.519 -0.220 0.000 1.238 279 W CA 0.824 58.099 57.345 -0.118 0.000 1.255 279 W CB -1.551 27.865 29.460 -0.072 0.000 1.145 279 W HN 0.396 nan 8.180 nan 0.000 0.506 280 G N -0.283 108.400 108.800 -0.196 0.000 2.433 280 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 280 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 280 G C 1.526 176.171 174.900 -0.424 0.000 1.186 280 G CA 1.587 46.415 45.100 -0.454 0.000 0.779 280 G HN 0.012 nan 8.290 nan 0.000 0.543 281 M N 0.299 119.462 119.600 -0.729 0.000 2.108 281 M HA -0.125 4.355 4.480 -0.000 0.000 0.257 281 M C 2.306 178.351 176.300 -0.426 0.000 1.071 281 M CA 1.522 56.407 55.300 -0.692 0.000 1.093 281 M CB -0.947 30.642 32.600 -1.685 0.000 1.345 281 M HN 0.234 nan 8.290 nan 0.000 0.403 282 E N 0.670 120.713 120.200 -0.262 0.000 2.033 282 E HA -0.168 4.182 4.350 -0.000 0.000 0.199 282 E C 2.012 178.633 176.600 0.035 0.000 1.011 282 E CA 2.738 59.146 56.400 0.013 0.000 0.815 282 E CB -0.372 29.381 29.700 0.087 0.000 0.755 282 E HN 0.656 nan 8.360 nan 0.000 0.451 283 T N -0.643 113.926 114.554 0.026 0.000 2.788 283 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 283 T C 2.059 176.795 174.700 0.060 0.000 1.044 283 T CA 1.356 63.489 62.100 0.054 0.000 1.139 283 T CB -0.584 68.327 68.868 0.072 0.000 0.867 283 T HN 0.260 nan 8.240 nan 0.000 0.454 284 L N 0.838 122.095 121.223 0.058 0.000 2.042 284 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 284 L C 2.550 179.456 176.870 0.060 0.000 1.076 284 L CA 1.736 56.606 54.840 0.050 0.000 0.749 284 L CB -0.546 41.546 42.059 0.054 0.000 0.893 284 L HN 0.271 nan 8.230 nan 0.000 0.432 285 S N 0.387 116.154 115.700 0.112 0.000 2.348 285 S HA -0.172 4.298 4.470 -0.000 0.000 0.221 285 S C 1.647 176.329 174.600 0.137 0.000 1.033 285 S CA 1.463 59.784 58.200 0.202 0.000 1.010 285 S CB -0.591 62.785 63.200 0.292 0.000 0.891 285 S HN 0.501 nan 8.310 nan 0.000 0.442 286 N N 0.963 119.729 118.700 0.109 0.000 2.069 286 N HA -0.177 4.563 4.740 -0.000 0.000 0.196 286 N C 1.932 177.484 175.510 0.070 0.000 1.024 286 N CA 1.431 54.532 53.050 0.085 0.000 0.869 286 N CB -1.076 37.452 38.487 0.068 0.000 1.035 286 N HN 0.539 nan 8.380 nan 0.000 0.434 287 C N 0.020 119.355 119.300 0.058 0.000 2.548 287 C HA 0.005 4.465 4.460 -0.000 0.000 0.284 287 C C 2.570 177.570 174.990 0.016 0.000 1.252 287 C CA 0.369 59.409 59.018 0.038 0.000 1.725 287 C CB -1.225 26.527 27.740 0.019 0.000 2.098 287 C HN 0.382 nan 8.230 nan 0.000 0.471 288 L N 1.425 122.650 121.223 0.004 0.000 2.089 288 L HA -0.131 4.209 4.340 -0.000 0.000 0.213 288 L C 2.778 179.662 176.870 0.024 0.000 1.079 288 L CA 2.212 57.045 54.840 -0.012 0.000 0.758 288 L CB -1.149 40.907 42.059 -0.006 0.000 0.891 288 L HN 0.489 nan 8.230 nan 0.000 0.433 289 R N -1.215 119.324 120.500 0.065 0.000 2.120 289 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 289 R C 2.240 178.568 176.300 0.046 0.000 1.123 289 R CA 1.410 57.553 56.100 0.073 0.000 0.975 289 R CB -0.050 30.308 30.300 0.097 0.000 0.866 289 R HN 0.309 nan 8.270 nan 0.000 0.446 290 S N 0.461 116.187 115.700 0.043 0.000 2.402 290 S HA -0.052 4.417 4.470 -0.000 0.000 0.229 290 S C 0.811 175.432 174.600 0.034 0.000 1.021 290 S CA 0.762 58.989 58.200 0.045 0.000 0.974 290 S CB -0.101 63.136 63.200 0.062 0.000 0.800 290 S HN 0.293 nan 8.310 nan 0.000 0.484 291 M N 1.920 121.527 119.600 0.012 0.000 2.252 291 M HA 0.053 4.533 4.480 -0.000 0.000 0.333 291 M C -0.320 175.957 176.300 -0.038 0.000 1.111 291 M CA 0.370 55.666 55.300 -0.007 0.000 1.140 291 M CB 0.277 32.844 32.600 -0.054 0.000 1.538 291 M HN -0.064 nan 8.290 nan 0.000 0.448 292 S N 4.354 120.024 115.700 -0.050 0.000 2.488 292 S HA 0.367 4.837 4.470 -0.000 0.000 0.310 292 S C -2.304 172.071 174.600 -0.375 0.000 1.093 292 S CA -1.267 56.821 58.200 -0.188 0.000 1.129 292 S CB 0.232 63.383 63.200 -0.082 0.000 0.989 292 S HN 0.427 nan 8.310 nan 0.000 0.479 293 P HA 0.357 nan 4.420 nan 0.000 0.276 293 P C -1.077 175.848 177.300 -0.624 0.000 1.235 293 P CA -0.186 62.700 63.100 -0.357 0.000 0.772 293 P CB 0.264 31.854 31.700 -0.184 0.000 0.871 294 F N 1.246 121.201 119.950 0.010 0.000 2.591 294 F HA 0.352 4.879 4.527 -0.000 0.000 0.309 294 F C -0.135 175.655 175.800 -0.016 0.000 1.098 294 F CA -1.171 56.826 58.000 -0.005 0.000 0.937 294 F CB 2.337 41.328 39.000 -0.015 0.000 1.250 294 F HN -0.018 nan 8.300 nan 0.000 0.447 295 V N 4.175 124.199 119.914 0.183 0.000 2.417 295 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 295 V C -0.833 175.288 176.094 0.046 0.000 1.024 295 V CA -0.712 61.635 62.300 0.077 0.000 0.861 295 V CB 1.990 33.843 31.823 0.050 0.000 0.985 295 V HN 0.610 nan 8.190 nan 0.000 0.436 296 L N 4.443 125.666 121.223 0.001 0.000 2.376 296 L HA 0.622 4.962 4.340 -0.000 0.000 0.275 296 L C 0.045 176.894 176.870 -0.035 0.000 0.987 296 L CA -0.130 54.693 54.840 -0.029 0.000 0.828 296 L CB 2.047 44.068 42.059 -0.062 0.000 1.249 296 L HN 0.676 nan 8.230 nan 0.000 0.409 297 S N 5.007 120.693 115.700 -0.023 0.000 2.499 297 S HA 0.385 4.855 4.470 -0.000 0.000 0.275 297 S C 0.479 175.068 174.600 -0.019 0.000 1.257 297 S CA -0.564 57.624 58.200 -0.020 0.000 1.050 297 S CB 0.556 63.754 63.200 -0.003 0.000 0.937 297 S HN 0.724 nan 8.310 nan 0.000 0.490 298 L N 3.765 124.969 121.223 -0.033 0.000 2.848 298 L HA 0.336 4.676 4.340 -0.000 0.000 0.240 298 L C 0.654 177.511 176.870 -0.021 0.000 1.232 298 L CA -0.013 54.809 54.840 -0.030 0.000 1.031 298 L CB -0.085 41.943 42.059 -0.052 0.000 1.338 298 L HN 0.598 nan 8.230 nan 0.000 0.509 299 E N 2.736 122.931 120.200 -0.008 0.000 2.122 299 E HA 0.161 4.511 4.350 -0.000 0.000 0.288 299 E C -0.243 176.363 176.600 0.009 0.000 1.260 299 E CA -0.043 56.355 56.400 -0.002 0.000 1.344 299 E CB -0.003 29.699 29.700 0.003 0.000 1.337 299 E HN 0.497 nan 8.360 nan 0.000 0.484 300 Q N -0.746 119.052 119.800 -0.003 0.000 3.104 300 Q HA 0.100 4.439 4.340 -0.000 0.000 0.331 300 Q C -0.986 174.982 176.000 -0.054 0.000 0.844 300 Q CA -0.955 54.834 55.803 -0.024 0.000 0.870 300 Q CB -0.580 28.175 28.738 0.027 0.000 1.484 300 Q HN 0.174 nan 8.270 nan 0.000 0.489 301 T N -1.919 112.550 114.554 -0.141 0.000 2.928 301 T HA 0.199 4.549 4.350 -0.000 0.000 0.305 301 T C -1.926 172.750 174.700 -0.040 0.000 1.035 301 T CA -0.471 61.555 62.100 -0.123 0.000 1.145 301 T CB 0.313 69.050 68.868 -0.217 0.000 0.963 301 T HN 0.385 nan 8.240 nan 0.000 0.545 302 P HA -0.175 nan 4.420 nan 0.000 0.217 302 P C 1.610 178.956 177.300 0.076 0.000 1.148 302 P CA 1.053 64.166 63.100 0.021 0.000 0.834 302 P CB 0.058 31.760 31.700 0.003 0.000 0.783 303 Q N -1.686 118.169 119.800 0.092 0.000 2.030 303 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 303 Q C 2.165 178.342 176.000 0.294 0.000 0.986 303 Q CA 1.698 57.621 55.803 0.201 0.000 0.843 303 Q CB -1.006 27.842 28.738 0.183 0.000 0.904 303 Q HN 0.527 nan 8.270 nan 0.000 0.420 304 H N -0.824 118.291 119.070 0.074 0.000 2.293 304 H HA -0.118 4.438 4.556 -0.000 0.000 0.300 304 H C 1.964 177.317 175.328 0.043 0.000 1.082 304 H CA 0.495 56.574 56.048 0.052 0.000 1.308 304 H CB -0.066 29.713 29.762 0.028 0.000 1.375 304 H HN 0.369 nan 8.280 nan 0.000 0.495 305 A N 1.480 124.400 122.820 0.165 0.000 1.896 305 A HA -0.307 4.013 4.320 -0.000 0.000 0.220 305 A C 2.599 180.205 177.584 0.037 0.000 1.206 305 A CA 2.225 54.300 52.037 0.063 0.000 0.647 305 A CB -1.125 17.892 19.000 0.029 0.000 0.828 305 A HN 0.522 nan 8.150 nan 0.000 0.455 306 A N -1.452 121.442 122.820 0.123 0.000 1.930 306 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 306 A C 2.198 179.927 177.584 0.242 0.000 1.175 306 A CA 1.763 53.933 52.037 0.222 0.000 0.627 306 A CB -0.549 18.735 19.000 0.473 0.000 0.815 306 A HN 0.697 nan 8.150 nan 0.000 0.443 307 Q N -0.347 119.575 119.800 0.203 0.000 2.084 307 Q HA -0.248 4.092 4.340 -0.000 0.000 0.202 307 Q C 2.059 178.049 176.000 -0.016 0.000 0.978 307 Q CA 1.919 57.757 55.803 0.059 0.000 0.844 307 Q CB -0.179 28.573 28.738 0.023 0.000 0.898 307 Q HN 0.799 nan 8.270 nan 0.000 0.426 308 E N -0.089 120.096 120.200 -0.025 0.000 2.038 308 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 308 E C 2.042 178.571 176.600 -0.117 0.000 1.000 308 E CA 1.247 57.607 56.400 -0.066 0.000 0.803 308 E CB -0.216 29.455 29.700 -0.049 0.000 0.750 308 E HN 0.370 nan 8.360 nan 0.000 0.448 309 L N 1.849 122.968 121.223 -0.174 0.000 2.137 309 L HA -0.236 4.104 4.340 -0.000 0.000 0.213 309 L C 2.235 178.936 176.870 -0.282 0.000 1.085 309 L CA 2.075 56.725 54.840 -0.316 0.000 0.760 309 L CB -0.539 41.171 42.059 -0.582 0.000 0.893 309 L HN 0.076 nan 8.230 nan 0.000 0.434 310 K N -0.986 119.323 120.400 -0.152 0.000 2.057 310 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 310 K C 2.029 178.578 176.600 -0.086 0.000 1.049 310 K CA 1.844 58.075 56.287 -0.092 0.000 0.931 310 K CB -0.368 32.053 32.500 -0.132 0.000 0.714 310 K HN 0.619 nan 8.250 nan 0.000 0.440 311 T N -0.512 113.990 114.554 -0.087 0.000 2.946 311 T HA -0.113 4.237 4.350 -0.000 0.000 0.271 311 T C 1.662 176.304 174.700 -0.096 0.000 1.104 311 T CA 0.937 62.997 62.100 -0.067 0.000 1.114 311 T CB -0.074 68.757 68.868 -0.061 0.000 0.867 311 T HN 0.102 nan 8.240 nan 0.000 0.513 312 L N 0.225 121.344 121.223 -0.174 0.000 2.307 312 L HA 0.386 4.726 4.340 -0.000 0.000 0.211 312 L C 2.453 179.141 176.870 -0.304 0.000 1.099 312 L CA 0.650 55.308 54.840 -0.304 0.000 0.816 312 L CB -0.665 41.102 42.059 -0.486 0.000 0.952 312 L HN 0.265 nan 8.230 nan 0.000 0.455 313 L N 0.739 121.852 121.223 -0.183 0.000 2.034 313 L HA -0.236 4.104 4.340 -0.000 0.000 0.217 313 L C -0.201 176.633 176.870 -0.059 0.000 1.077 313 L CA 1.680 56.458 54.840 -0.104 0.000 0.769 313 L CB -2.155 39.942 42.059 0.064 0.000 0.890 313 L HN 0.309 nan 8.230 nan 0.000 0.435 314 P HA -0.158 nan 4.420 nan 0.000 0.226 314 P C 1.108 178.431 177.300 0.038 0.000 1.153 314 P CA 1.261 64.406 63.100 0.075 0.000 0.777 314 P CB 0.069 31.818 31.700 0.081 0.000 0.794 315 Q N -1.149 118.638 119.800 -0.021 0.000 2.402 315 Q HA 0.178 4.518 4.340 -0.000 0.000 0.206 315 Q C 1.100 177.212 176.000 0.186 0.000 0.919 315 Q CA 0.090 55.934 55.803 0.069 0.000 0.923 315 Q CB -0.095 28.691 28.738 0.079 0.000 1.048 315 Q HN 0.353 nan 8.270 nan 0.000 0.515 316 M N 0.962 120.581 119.600 0.032 0.000 2.240 316 M HA 0.102 4.582 4.480 -0.000 0.000 0.333 316 M C 0.048 176.416 176.300 0.114 0.000 1.110 316 M CA 0.289 55.690 55.300 0.169 0.000 1.173 316 M CB 0.746 33.337 32.600 -0.014 0.000 1.458 316 M HN -0.171 nan 8.290 nan 0.000 0.458 317 T N 3.930 118.574 114.554 0.150 0.000 2.794 317 T HA 0.360 4.710 4.350 -0.000 0.000 0.296 317 T C -2.240 172.485 174.700 0.041 0.000 0.949 317 T CA -0.902 61.250 62.100 0.087 0.000 1.101 317 T CB 0.274 69.198 68.868 0.093 0.000 0.905 317 T HN 0.437 nan 8.240 nan 0.000 0.516 318 P HA 0.666 nan 4.420 nan 0.000 0.285 318 P C -1.448 175.872 177.300 0.034 0.000 1.269 318 P CA -0.757 62.336 63.100 -0.012 0.000 0.844 318 P CB 1.500 33.183 31.700 -0.029 0.000 1.094 319 A N 2.054 124.899 122.820 0.041 0.000 2.430 319 A HA 0.665 4.985 4.320 -0.000 0.000 0.300 319 A C -0.669 176.951 177.584 0.060 0.000 1.124 319 A CA -0.729 51.344 52.037 0.060 0.000 0.766 319 A CB 0.944 19.990 19.000 0.077 0.000 1.328 319 A HN 0.550 nan 8.150 nan 0.000 0.424 320 N N 0.781 119.517 118.700 0.061 0.000 2.361 320 N HA 0.701 5.441 4.740 -0.000 0.000 0.302 320 N C -0.698 174.853 175.510 0.067 0.000 1.074 320 N CA -0.165 52.919 53.050 0.058 0.000 0.850 320 N CB 1.645 40.161 38.487 0.048 0.000 1.228 320 N HN 0.859 nan 8.380 nan 0.000 0.491 321 M N -1.600 118.044 119.600 0.073 0.000 2.465 321 M HA 0.421 4.901 4.480 -0.000 0.000 0.284 321 M C -0.538 175.814 176.300 0.087 0.000 1.212 321 M CA -0.820 54.534 55.300 0.090 0.000 0.910 321 M CB 1.988 34.668 32.600 0.133 0.000 1.725 321 M HN 0.245 nan 8.290 nan 0.000 0.477 322 S N 1.385 117.135 115.700 0.084 0.000 2.563 322 S HA 0.028 4.498 4.470 -0.000 0.000 0.294 322 S C 1.082 175.747 174.600 0.107 0.000 1.279 322 S CA 0.654 58.901 58.200 0.078 0.000 1.069 322 S CB 0.665 63.906 63.200 0.068 0.000 0.828 322 S HN 0.875 nan 8.310 nan 0.000 0.497 323 S N 4.187 119.935 115.700 0.079 0.000 2.370 323 S HA -0.081 4.389 4.470 -0.000 0.000 0.226 323 S C 2.015 176.702 174.600 0.146 0.000 1.033 323 S CA 1.925 60.179 58.200 0.090 0.000 1.011 323 S CB -1.093 62.132 63.200 0.042 0.000 0.852 323 S HN 0.977 nan 8.310 nan 0.000 0.457 324 G N 0.854 109.717 108.800 0.104 0.000 2.446 324 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.217 324 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.217 324 G C 1.716 176.683 174.900 0.112 0.000 1.168 324 G CA 1.105 46.263 45.100 0.097 0.000 0.771 324 G HN 0.723 nan 8.290 nan 0.000 0.551 325 A N 0.501 123.389 122.820 0.113 0.000 1.883 325 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 325 A C 2.179 179.840 177.584 0.128 0.000 1.186 325 A CA 1.713 53.809 52.037 0.099 0.000 0.624 325 A CB -0.930 18.126 19.000 0.093 0.000 0.822 325 A HN 0.642 nan 8.150 nan 0.000 0.444 326 W N 1.448 122.757 121.300 0.015 0.000 2.321 326 W HA -0.232 4.428 4.660 -0.000 0.000 0.306 326 W C 1.542 178.069 176.519 0.014 0.000 1.217 326 W CA 2.127 59.482 57.345 0.017 0.000 1.257 326 W CB -0.516 28.957 29.460 0.022 0.000 1.145 326 W HN 0.417 nan 8.180 nan 0.000 0.509 327 N N 0.841 119.638 118.700 0.162 0.000 2.188 327 N HA -0.175 4.565 4.740 -0.000 0.000 0.184 327 N C 1.842 177.318 175.510 -0.055 0.000 1.018 327 N CA 1.969 55.048 53.050 0.048 0.000 0.858 327 N CB -0.694 37.865 38.487 0.120 0.000 0.989 327 N HN 0.306 nan 8.380 nan 0.000 0.426 328 I N 0.737 121.289 120.570 -0.030 0.000 2.110 328 I HA -0.248 3.922 4.170 -0.000 0.000 0.236 328 I C 2.336 178.392 176.117 -0.102 0.000 1.068 328 I CA 0.530 61.803 61.300 -0.045 0.000 1.333 328 I CB -0.329 37.663 38.000 -0.015 0.000 1.054 328 I HN 0.027 nan 8.210 nan 0.000 0.402 329 L N 1.334 122.479 121.223 -0.129 0.000 2.030 329 L HA -0.325 4.015 4.340 -0.000 0.000 0.222 329 L C 2.429 179.149 176.870 -0.250 0.000 1.082 329 L CA 2.060 56.790 54.840 -0.183 0.000 0.785 329 L CB -0.762 41.163 42.059 -0.224 0.000 0.895 329 L HN 0.132 nan 8.230 nan 0.000 0.439 330 K N -0.762 119.410 120.400 -0.379 0.000 2.059 330 K HA -0.273 4.047 4.320 -0.000 0.000 0.212 330 K C 2.142 178.631 176.600 -0.185 0.000 1.050 330 K CA 1.974 58.051 56.287 -0.351 0.000 0.927 330 K CB -0.380 31.888 32.500 -0.387 0.000 0.714 330 K HN 0.585 nan 8.250 nan 0.000 0.447 331 E N 1.209 121.328 120.200 -0.134 0.000 2.051 331 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 331 E C 2.121 178.677 176.600 -0.074 0.000 0.991 331 E CA 1.002 57.353 56.400 -0.081 0.000 0.799 331 E CB -0.011 29.657 29.700 -0.055 0.000 0.748 331 E HN 0.243 nan 8.360 nan 0.000 0.449 332 L N 0.473 121.647 121.223 -0.081 0.000 1.994 332 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 332 L C 2.713 179.539 176.870 -0.074 0.000 1.071 332 L CA 1.008 55.808 54.840 -0.067 0.000 0.745 332 L CB -0.721 41.297 42.059 -0.067 0.000 0.892 332 L HN 0.057 nan 8.230 nan 0.000 0.431 333 V N 0.390 120.244 119.914 -0.100 0.000 2.324 333 V HA -0.312 3.808 4.120 -0.000 0.000 0.250 333 V C 2.210 178.258 176.094 -0.076 0.000 1.060 333 V CA 2.336 64.578 62.300 -0.097 0.000 1.042 333 V CB -0.886 30.860 31.823 -0.129 0.000 0.650 333 V HN 0.530 nan 8.190 nan 0.000 0.450 334 N N 0.276 118.931 118.700 -0.075 0.000 2.331 334 N HA -0.042 4.698 4.740 -0.000 0.000 0.180 334 N C 1.647 177.134 175.510 -0.038 0.000 1.019 334 N CA 1.152 54.170 53.050 -0.053 0.000 0.881 334 N CB -0.211 38.246 38.487 -0.050 0.000 0.972 334 N HN 0.411 nan 8.380 nan 0.000 0.435 335 A N -0.104 122.694 122.820 -0.038 0.000 2.015 335 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 335 A C 2.113 179.690 177.584 -0.011 0.000 1.163 335 A CA 1.683 53.706 52.037 -0.023 0.000 0.646 335 A CB -0.533 18.453 19.000 -0.023 0.000 0.806 335 A HN 0.313 nan 8.150 nan 0.000 0.448 336 V N -4.371 115.534 119.914 -0.015 0.000 3.379 336 V HA 0.078 4.198 4.120 -0.000 0.000 0.249 336 V C 1.427 177.527 176.094 0.010 0.000 1.184 336 V CA 0.663 62.971 62.300 0.012 0.000 1.106 336 V CB -0.301 31.516 31.823 -0.011 0.000 0.826 336 V HN 0.332 nan 8.190 nan 0.000 0.465 337 Q N 1.469 121.256 119.800 -0.023 0.000 2.482 337 Q HA 0.140 4.480 4.340 -0.000 0.000 0.209 337 Q C 0.561 176.548 176.000 -0.021 0.000 0.961 337 Q CA 0.570 56.355 55.803 -0.030 0.000 0.945 337 Q CB -0.350 28.363 28.738 -0.042 0.000 1.012 337 Q HN 0.859 nan 8.270 nan 0.000 0.515 338 D N 0.000 120.391 120.400 -0.015 0.000 6.856 338 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 338 D CA 0.000 53.990 54.000 -0.016 0.000 0.868 338 D CB 0.000 40.792 40.800 -0.014 0.000 0.688 338 D HN 0.000 nan 8.370 nan 0.000 0.683