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_D DATA FIRST_RESID 8 DATA SEQUENCE VKMGVLRIYL DGAYGIGKTT AAEEFLHHFA ITPNRILLIG EPLSYWRNLA DATA SEQUENCE GEDAICGIYG TQTRRLNGDV SPEDAQRLTA HFQSLFCSPH AIMHAKISAL DATA SEQUENCE MDTSTXXXXX XXXEPYKIML SDRHPIASTI CFPLSRYLVG DMSPAALPGL DATA SEQUENCE LFTLPAEPPG TNLVVCTVSL PSHLSRVXXX XXXXXTVNLP 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 0.000 176.103 176.094 0.015 0.000 1.182 8 V CA 0.000 62.306 62.300 0.010 0.000 1.235 8 V CB 0.000 31.831 31.823 0.013 0.000 1.184 9 K N 2.088 122.495 120.400 0.012 0.000 3.253 9 K HA 0.418 4.738 4.320 0.000 0.000 0.174 9 K C 0.178 176.785 176.600 0.012 0.000 1.071 9 K CA -0.377 55.922 56.287 0.019 0.000 0.836 9 K CB 1.465 33.979 32.500 0.024 0.000 0.922 9 K HN 0.798 nan 8.250 nan 0.000 0.565 10 M N -0.999 118.598 119.600 -0.006 0.000 2.207 10 M HA 0.103 4.583 4.480 0.000 0.000 0.296 10 M C 0.541 176.836 176.300 -0.008 0.000 1.012 10 M CA 0.774 56.059 55.300 -0.025 0.000 1.088 10 M CB 0.095 32.650 32.600 -0.076 0.000 1.407 10 M HN 0.198 nan 8.290 nan 0.000 0.425 11 G N 1.396 110.198 108.800 0.004 0.000 2.335 11 G HA2 0.562 4.522 3.960 0.000 0.000 0.316 11 G HA3 0.562 4.522 3.960 0.000 0.000 0.316 11 G C -0.378 174.539 174.900 0.029 0.000 1.129 11 G CA -0.628 44.493 45.100 0.036 0.000 0.899 11 G HN 0.991 nan 8.290 nan 0.000 0.448 12 V N 0.777 120.700 119.914 0.016 0.000 3.211 12 V HA 0.804 4.924 4.120 0.000 0.000 0.319 12 V C -0.545 175.536 176.094 -0.023 0.000 1.096 12 V CA -1.299 61.003 62.300 0.003 0.000 1.029 12 V CB 1.867 33.751 31.823 0.103 0.000 1.137 12 V HN 0.450 nan 8.190 nan 0.000 0.453 13 L N 2.102 123.308 121.223 -0.029 0.000 2.442 13 L HA 0.537 4.877 4.340 0.000 0.000 0.261 13 L C 0.198 177.054 176.870 -0.023 0.000 1.000 13 L CA -0.249 54.534 54.840 -0.095 0.000 0.882 13 L CB 0.908 42.817 42.059 -0.250 0.000 1.207 13 L HN 0.688 nan 8.230 nan 0.000 0.443 14 R N 5.023 125.521 120.500 -0.003 0.000 2.296 14 R HA 0.472 4.812 4.340 0.000 0.000 0.323 14 R C -0.841 175.400 176.300 -0.099 0.000 1.067 14 R CA 0.084 56.145 56.100 -0.063 0.000 0.946 14 R CB 0.459 30.771 30.300 0.021 0.000 0.991 14 R HN 0.501 nan 8.270 nan 0.000 0.448 15 I N 4.303 124.747 120.570 -0.210 0.000 2.439 15 I HA 0.217 4.387 4.170 0.000 0.000 0.283 15 I C -0.940 175.064 176.117 -0.187 0.000 1.023 15 I CA -0.877 60.360 61.300 -0.105 0.000 1.100 15 I CB 1.219 39.195 38.000 -0.040 0.000 1.238 15 I HN 0.411 nan 8.210 nan 0.000 0.445 16 Y N 6.104 126.501 120.300 0.162 0.000 2.328 16 Y HA 0.442 4.992 4.550 0.000 0.000 0.337 16 Y C -0.248 175.730 175.900 0.129 0.000 1.008 16 Y CA -0.752 57.455 58.100 0.177 0.000 1.129 16 Y CB 1.481 40.104 38.460 0.273 0.000 1.185 16 Y HN 0.386 nan 8.280 nan 0.000 0.476 17 L N 4.936 126.301 121.223 0.237 0.000 2.262 17 L HA 0.406 4.746 4.340 0.000 0.000 0.288 17 L C -0.439 176.504 176.870 0.122 0.000 1.035 17 L CA 0.129 55.048 54.840 0.133 0.000 0.820 17 L CB 0.043 42.151 42.059 0.081 0.000 1.204 17 L HN 0.704 nan 8.230 nan 0.000 0.424 18 D N 2.113 122.542 120.400 0.049 0.000 2.723 18 D HA 0.844 5.484 4.640 0.000 0.000 0.247 18 D C -0.224 175.900 176.300 -0.292 0.000 1.134 18 D CA 0.380 54.351 54.000 -0.048 0.000 1.099 18 D CB 2.421 43.226 40.800 0.009 0.000 1.287 18 D HN 0.644 nan 8.370 nan 0.000 0.634 19 G N -0.674 107.678 108.800 -0.746 0.000 2.316 19 G HA2 0.385 4.346 3.960 0.000 0.000 0.349 19 G HA3 0.385 4.346 3.960 0.000 0.000 0.349 19 G C -0.690 173.887 174.900 -0.537 0.000 1.274 19 G CA -0.056 44.487 45.100 -0.928 0.000 1.018 19 G HN 0.629 nan 8.290 nan 0.000 0.486 20 A N -0.783 121.871 122.820 -0.277 0.000 2.325 20 A HA 0.688 5.008 4.320 0.000 0.000 0.260 20 A C 0.227 177.848 177.584 0.062 0.000 1.133 20 A CA 0.951 52.953 52.037 -0.060 0.000 0.801 20 A CB -0.076 18.846 19.000 -0.130 0.000 1.092 20 A HN 2.134 nan 8.150 nan 0.000 0.504 21 Y N -3.161 117.233 120.300 0.156 0.000 2.453 21 Y HA 0.562 5.112 4.550 0.000 0.000 0.326 21 Y C 1.076 177.057 175.900 0.134 0.000 1.186 21 Y CA -0.960 57.259 58.100 0.198 0.000 1.200 21 Y CB 0.692 39.357 38.460 0.342 0.000 1.247 21 Y HN 1.612 nan 8.280 nan 0.000 0.482 22 G N 1.915 110.931 108.800 0.359 0.000 2.257 22 G HA2 -0.395 3.565 3.960 0.000 0.000 0.267 22 G HA3 -0.395 3.565 3.960 0.000 0.000 0.267 22 G C 0.885 175.808 174.900 0.039 0.000 0.984 22 G CA 0.792 46.029 45.100 0.229 0.000 0.626 22 G HN 1.249 nan 8.290 nan 0.000 0.540 23 I N -1.871 118.635 120.570 -0.106 0.000 2.423 23 I HA 0.323 4.493 4.170 0.000 0.000 0.254 23 I C 1.936 178.006 176.117 -0.078 0.000 1.151 23 I CA 1.496 62.670 61.300 -0.211 0.000 1.421 23 I CB -0.404 37.408 38.000 -0.313 0.000 1.079 23 I HN 1.426 nan 8.210 nan 0.000 0.431 24 G N 1.961 110.752 108.800 -0.014 0.000 2.141 24 G HA2 -0.221 3.739 3.960 0.000 0.000 0.164 24 G HA3 -0.221 3.739 3.960 0.000 0.000 0.164 24 G C 0.555 175.462 174.900 0.013 0.000 1.009 24 G CA 0.168 45.273 45.100 0.008 0.000 0.677 24 G HN 0.643 nan 8.290 nan 0.000 0.508 25 K N -0.433 119.978 120.400 0.018 0.000 2.555 25 K HA 0.221 4.541 4.320 0.000 0.000 0.193 25 K C 1.640 178.274 176.600 0.057 0.000 1.032 25 K CA 1.299 57.601 56.287 0.025 0.000 1.004 25 K CB 0.063 32.573 32.500 0.017 0.000 0.804 25 K HN 0.221 nan 8.250 nan 0.000 0.496 26 T N 0.450 115.043 114.554 0.066 0.000 3.071 26 T HA -0.021 4.329 4.350 0.000 0.000 0.239 26 T C 1.612 176.348 174.700 0.059 0.000 0.997 26 T CA 0.890 63.036 62.100 0.077 0.000 1.134 26 T CB 0.094 69.015 68.868 0.088 0.000 0.928 26 T HN 0.270 nan 8.240 nan 0.000 0.453 27 T N 1.843 116.420 114.554 0.039 0.000 3.072 27 T HA 0.206 4.557 4.350 0.000 0.000 0.266 27 T C 1.931 176.637 174.700 0.011 0.000 1.127 27 T CA 0.799 62.907 62.100 0.013 0.000 1.107 27 T CB -0.141 68.728 68.868 0.001 0.000 0.910 27 T HN 0.337 nan 8.240 nan 0.000 0.513 28 A N 0.459 123.298 122.820 0.033 0.000 2.197 28 A HA 0.727 5.047 4.320 0.000 0.000 0.210 28 A C 2.275 179.914 177.584 0.092 0.000 1.180 28 A CA 0.549 52.614 52.037 0.047 0.000 0.846 28 A CB -0.232 18.787 19.000 0.031 0.000 0.884 28 A HN 0.444 nan 8.150 nan 0.000 0.487 29 A N -0.237 122.642 122.820 0.097 0.000 2.147 29 A HA 0.152 4.472 4.320 0.000 0.000 0.211 29 A C 1.707 179.418 177.584 0.212 0.000 1.160 29 A CA 0.966 53.090 52.037 0.144 0.000 0.781 29 A CB -0.093 18.974 19.000 0.113 0.000 0.842 29 A HN 0.502 nan 8.150 nan 0.000 0.475 30 E N -0.502 119.784 120.200 0.143 0.000 2.102 30 E HA -0.078 4.272 4.350 0.000 0.000 0.190 30 E C 1.523 178.182 176.600 0.099 0.000 0.971 30 E CA 0.357 56.840 56.400 0.138 0.000 0.821 30 E CB -0.066 29.667 29.700 0.055 0.000 0.777 30 E HN 0.354 nan 8.360 nan 0.000 0.460 31 E N 0.319 120.523 120.200 0.007 0.000 2.463 31 E HA -0.159 4.191 4.350 0.000 0.000 0.201 31 E C 1.233 177.880 176.600 0.078 0.000 1.045 31 E CA 0.521 56.872 56.400 -0.083 0.000 0.872 31 E CB -0.029 29.613 29.700 -0.097 0.000 0.797 31 E HN 0.186 nan 8.360 nan 0.000 0.538 32 F N -0.296 119.713 119.950 0.099 0.000 2.619 32 F HA 0.016 4.543 4.527 0.000 0.000 0.293 32 F C 1.753 177.710 175.800 0.262 0.000 1.119 32 F CA 0.168 58.315 58.000 0.245 0.000 1.445 32 F CB 0.098 39.240 39.000 0.237 0.000 1.119 32 F HN 0.033 nan 8.300 nan 0.000 0.573 33 L N -0.015 121.328 121.223 0.200 0.000 2.084 33 L HA -0.024 4.316 4.340 0.000 0.000 0.202 33 L C 2.174 179.090 176.870 0.077 0.000 1.074 33 L CA 1.989 56.900 54.840 0.118 0.000 0.757 33 L CB -1.244 40.939 42.059 0.206 0.000 0.918 33 L HN 0.030 nan 8.230 nan 0.000 0.444 34 H N -1.568 117.467 119.070 -0.059 0.000 2.456 34 H HA -0.129 4.427 4.556 0.000 0.000 0.296 34 H C 2.065 177.314 175.328 -0.132 0.000 1.079 34 H CA 1.827 57.824 56.048 -0.084 0.000 1.322 34 H CB -0.382 29.325 29.762 -0.091 0.000 1.388 34 H HN 0.564 nan 8.280 nan 0.000 0.538 35 H N -1.246 117.686 119.070 -0.231 0.000 2.284 35 H HA -0.036 4.520 4.556 0.000 0.000 0.304 35 H C 0.255 175.007 175.328 -0.961 0.000 1.069 35 H CA 0.913 56.544 56.048 -0.696 0.000 1.327 35 H CB 0.160 29.334 29.762 -0.980 0.000 1.387 35 H HN 0.260 nan 8.280 nan 0.000 0.498 36 F N -0.856 119.010 119.950 -0.140 0.000 2.908 36 F HA 0.378 4.906 4.527 0.000 0.000 0.328 36 F C 0.573 176.279 175.800 -0.157 0.000 1.211 36 F CA -0.209 57.663 58.000 -0.214 0.000 1.291 36 F CB 0.990 39.770 39.000 -0.365 0.000 0.962 36 F HN 0.075 nan 8.300 nan 0.000 0.505 37 A N -0.046 122.756 122.820 -0.029 0.000 2.701 37 A HA 0.394 4.715 4.320 0.000 0.000 0.297 37 A C 1.582 179.158 177.584 -0.013 0.000 1.197 37 A CA -0.141 51.892 52.037 -0.007 0.000 0.963 37 A CB -0.714 18.271 19.000 -0.024 0.000 1.175 37 A HN 0.510 nan 8.150 nan 0.000 0.531 38 I N -0.155 120.410 120.570 -0.008 0.000 2.194 38 I HA -0.147 4.024 4.170 0.000 0.000 0.246 38 I C 1.675 177.792 176.117 -0.001 0.000 1.093 38 I CA 1.700 62.994 61.300 -0.009 0.000 1.355 38 I CB -0.083 37.918 38.000 0.002 0.000 1.046 38 I HN 0.423 nan 8.210 nan 0.000 0.413 39 T N 0.838 115.399 114.554 0.011 0.000 2.832 39 T HA 0.268 4.618 4.350 0.000 0.000 0.313 39 T C -1.593 173.126 174.700 0.031 0.000 1.035 39 T CA -2.038 60.071 62.100 0.015 0.000 0.950 39 T CB 1.152 70.026 68.868 0.010 0.000 0.984 39 T HN -0.141 nan 8.240 nan 0.000 0.486 40 P HA -0.176 nan 4.420 nan 0.000 0.219 40 P C 1.000 178.360 177.300 0.099 0.000 1.161 40 P CA 1.433 64.559 63.100 0.044 0.000 0.909 40 P CB 0.041 31.759 31.700 0.031 0.000 0.793 41 N N -1.324 117.446 118.700 0.118 0.000 2.413 41 N HA -0.013 4.728 4.740 0.000 0.000 0.207 41 N C 1.452 177.083 175.510 0.202 0.000 1.206 41 N CA -0.137 53.044 53.050 0.218 0.000 0.832 41 N CB -0.074 38.527 38.487 0.191 0.000 1.037 41 N HN 0.036 nan 8.380 nan 0.000 0.467 42 R N 0.373 120.958 120.500 0.142 0.000 2.334 42 R HA 0.273 4.613 4.340 0.000 0.000 0.212 42 R C -0.075 176.328 176.300 0.172 0.000 0.897 42 R CA 0.229 56.374 56.100 0.075 0.000 1.056 42 R CB 0.624 30.945 30.300 0.034 0.000 1.046 42 R HN 0.181 nan 8.270 nan 0.000 0.513 43 I N 0.903 121.643 120.570 0.283 0.000 2.692 43 I HA 0.279 4.450 4.170 0.000 0.000 0.293 43 I C -2.155 174.136 176.117 0.290 0.000 1.200 43 I CA -1.205 60.280 61.300 0.309 0.000 1.036 43 I CB 2.181 40.287 38.000 0.176 0.000 1.258 43 I HN -0.095 nan 8.210 nan 0.000 0.421 44 L N 8.071 129.451 121.223 0.263 0.000 2.376 44 L HA 0.621 4.962 4.340 0.000 0.000 0.275 44 L C -1.888 175.009 176.870 0.045 0.000 0.987 44 L CA -0.400 54.468 54.840 0.046 0.000 0.828 44 L CB 1.610 43.524 42.059 -0.241 0.000 1.249 44 L HN 0.610 nan 8.230 nan 0.000 0.409 45 L N 6.062 127.305 121.223 0.034 0.000 2.322 45 L HA 0.674 5.014 4.340 0.000 0.000 0.279 45 L C -0.997 175.882 176.870 0.015 0.000 1.036 45 L CA -0.077 54.794 54.840 0.052 0.000 0.807 45 L CB 1.419 43.529 42.059 0.085 0.000 1.226 45 L HN 0.600 nan 8.230 nan 0.000 0.433 46 I N 4.532 125.120 120.570 0.031 0.000 2.439 46 I HA 0.429 4.599 4.170 0.000 0.000 0.283 46 I C 0.414 176.551 176.117 0.034 0.000 1.023 46 I CA -0.544 60.764 61.300 0.014 0.000 1.100 46 I CB 1.569 39.583 38.000 0.023 0.000 1.238 46 I HN 0.753 nan 8.210 nan 0.000 0.445 47 G N 4.326 113.127 108.800 0.001 0.000 2.504 47 G HA2 0.352 4.313 3.960 0.000 0.000 0.288 47 G HA3 0.352 4.313 3.960 0.000 0.000 0.288 47 G C -0.307 174.548 174.900 -0.075 0.000 1.182 47 G CA -0.434 44.666 45.100 0.001 0.000 0.894 47 G HN 0.607 nan 8.290 nan 0.000 0.521 48 E N 1.037 121.201 120.200 -0.060 0.000 2.502 48 E HA 0.016 4.366 4.350 0.000 0.000 0.261 48 E C -1.702 174.620 176.600 -0.464 0.000 0.974 48 E CA -0.691 55.573 56.400 -0.227 0.000 0.936 48 E CB 1.039 30.700 29.700 -0.065 0.000 0.926 48 E HN 0.252 nan 8.360 nan 0.000 0.459 49 P HA 0.042 nan 4.420 nan 0.000 0.220 49 P C 0.559 177.367 177.300 -0.819 0.000 1.806 49 P CA 0.130 62.835 63.100 -0.659 0.000 0.976 49 P CB -0.077 31.260 31.700 -0.606 0.000 1.952 50 L N 0.603 121.485 121.223 -0.568 0.000 2.043 50 L HA -0.246 4.094 4.340 0.000 0.000 0.212 50 L C 2.620 179.425 176.870 -0.107 0.000 1.075 50 L CA 2.197 56.898 54.840 -0.233 0.000 0.752 50 L CB -1.637 40.407 42.059 -0.026 0.000 0.891 50 L HN 0.219 nan 8.230 nan 0.000 0.432 51 S N -0.890 114.736 115.700 -0.122 0.000 2.423 51 S HA -0.255 4.216 4.470 0.000 0.000 0.238 51 S C 1.750 176.234 174.600 -0.193 0.000 1.028 51 S CA 1.547 59.664 58.200 -0.139 0.000 1.000 51 S CB -0.725 62.368 63.200 -0.177 0.000 0.797 51 S HN 0.445 nan 8.310 nan 0.000 0.487 52 Y N -0.464 119.737 120.300 -0.164 0.000 2.389 52 Y HA 0.204 4.754 4.550 0.000 0.000 0.292 52 Y C 2.214 178.137 175.900 0.037 0.000 1.117 52 Y CA -0.091 57.957 58.100 -0.087 0.000 1.195 52 Y CB -0.376 38.010 38.460 -0.122 0.000 1.076 52 Y HN 0.202 nan 8.280 nan 0.000 0.548 53 W N 0.623 121.958 121.300 0.058 0.000 2.358 53 W HA -0.052 4.609 4.660 0.000 0.000 0.303 53 W C 1.773 178.229 176.519 -0.106 0.000 1.208 53 W CA 0.903 58.189 57.345 -0.097 0.000 1.274 53 W CB -0.942 28.474 29.460 -0.073 0.000 1.138 53 W HN -0.013 nan 8.180 nan 0.000 0.515 54 R N 0.270 120.874 120.500 0.173 0.000 2.319 54 R HA -0.047 4.293 4.340 0.000 0.000 0.204 54 R C 0.193 176.509 176.300 0.027 0.000 0.954 54 R CA 0.501 56.650 56.100 0.081 0.000 1.066 54 R CB -0.504 29.838 30.300 0.069 0.000 0.991 54 R HN 0.014 nan 8.270 nan 0.000 0.486 55 N N 0.047 118.759 118.700 0.021 0.000 2.657 55 N HA 0.009 4.750 4.740 0.000 0.000 0.234 55 N C -1.500 174.013 175.510 0.005 0.000 1.433 55 N CA -0.154 52.891 53.050 -0.009 0.000 1.078 55 N CB 0.258 38.710 38.487 -0.059 0.000 1.508 55 N HN 0.020 nan 8.380 nan 0.000 0.547 56 L N 1.728 122.978 121.223 0.046 0.000 2.385 56 L HA 0.527 4.867 4.340 0.000 0.000 0.285 56 L C 0.735 177.633 176.870 0.048 0.000 1.125 56 L CA 0.323 55.208 54.840 0.075 0.000 0.890 56 L CB -0.017 42.089 42.059 0.078 0.000 1.251 56 L HN 0.516 nan 8.230 nan 0.000 0.445 57 A N 3.321 126.168 122.820 0.046 0.000 2.783 57 A HA -0.146 4.174 4.320 0.000 0.000 0.292 57 A C 1.390 178.991 177.584 0.030 0.000 1.495 57 A CA 1.169 53.227 52.037 0.035 0.000 0.787 57 A CB -1.998 17.025 19.000 0.039 0.000 1.017 57 A HN 1.693 nan 8.150 nan 0.000 0.516 58 G N -2.394 106.421 108.800 0.025 0.000 2.391 58 G HA2 -0.123 3.837 3.960 0.000 0.000 0.204 58 G HA3 -0.123 3.837 3.960 0.000 0.000 0.204 58 G C -0.147 174.782 174.900 0.048 0.000 1.012 58 G CA 0.457 45.575 45.100 0.030 0.000 0.651 58 G HN 1.201 nan 8.290 nan 0.000 0.494 59 E N 0.761 121.001 120.200 0.066 0.000 2.235 59 E HA 0.471 4.822 4.350 0.000 0.000 0.265 59 E C -1.402 175.240 176.600 0.071 0.000 0.940 59 E CA -0.791 55.673 56.400 0.107 0.000 0.819 59 E CB 1.939 31.761 29.700 0.203 0.000 1.206 59 E HN 0.124 nan 8.360 nan 0.000 0.409 60 D N 1.618 122.055 120.400 0.062 0.000 2.500 60 D HA 0.179 4.820 4.640 0.000 0.000 0.219 60 D C 0.797 177.060 176.300 -0.063 0.000 1.137 60 D CA -0.160 53.843 54.000 0.004 0.000 0.946 60 D CB 0.706 41.505 40.800 -0.002 0.000 1.022 60 D HN 0.560 nan 8.370 nan 0.000 0.518 61 A N 4.790 127.529 122.820 -0.136 0.000 1.923 61 A HA -0.273 4.047 4.320 0.000 0.000 0.222 61 A C 2.225 179.623 177.584 -0.310 0.000 1.258 61 A CA 1.391 53.220 52.037 -0.345 0.000 0.670 61 A CB -0.589 17.785 19.000 -1.043 0.000 0.834 61 A HN 0.724 nan 8.150 nan 0.000 0.470 62 I N -1.290 119.183 120.570 -0.162 0.000 2.076 62 I HA -0.342 3.828 4.170 0.000 0.000 0.237 62 I C 2.764 178.886 176.117 0.007 0.000 1.059 62 I CA 1.694 63.034 61.300 0.066 0.000 1.317 62 I CB -0.717 37.408 38.000 0.209 0.000 1.037 62 I HN 0.634 nan 8.210 nan 0.000 0.398 63 C N 1.426 120.713 119.300 -0.021 0.000 2.398 63 C HA -0.190 4.270 4.460 0.000 0.000 0.276 63 C C 2.992 177.829 174.990 -0.256 0.000 1.222 63 C CA 1.517 60.501 59.018 -0.055 0.000 1.746 63 C CB -1.671 26.032 27.740 -0.062 0.000 2.039 63 C HN 0.691 nan 8.230 nan 0.000 0.470 64 G N -0.271 108.196 108.800 -0.555 0.000 2.442 64 G HA2 -0.233 3.727 3.960 0.000 0.000 0.219 64 G HA3 -0.233 3.727 3.960 0.000 0.000 0.219 64 G C 1.567 175.723 174.900 -1.240 0.000 1.141 64 G CA 1.062 45.323 45.100 -1.398 0.000 0.763 64 G HN 0.661 nan 8.290 nan 0.000 0.554 65 I N -1.391 118.759 120.570 -0.700 0.000 2.353 65 I HA -0.008 4.162 4.170 0.000 0.000 0.248 65 I C 2.373 178.203 176.117 -0.479 0.000 1.119 65 I CA 0.960 61.986 61.300 -0.456 0.000 1.417 65 I CB 0.125 37.886 38.000 -0.398 0.000 1.078 65 I HN 0.275 nan 8.210 nan 0.000 0.421 66 Y N 0.142 120.315 120.300 -0.212 0.000 2.201 66 Y HA 0.029 4.579 4.550 0.000 0.000 0.292 66 Y C 2.590 178.399 175.900 -0.151 0.000 1.119 66 Y CA 1.090 59.092 58.100 -0.164 0.000 1.127 66 Y CB -1.099 37.282 38.460 -0.132 0.000 1.019 66 Y HN 0.138 nan 8.280 nan 0.000 0.514 67 G N -0.551 108.234 108.800 -0.026 0.000 2.503 67 G HA2 -0.310 3.650 3.960 0.000 0.000 0.221 67 G HA3 -0.310 3.650 3.960 0.000 0.000 0.221 67 G C 1.683 176.547 174.900 -0.059 0.000 1.131 67 G CA 1.883 46.950 45.100 -0.055 0.000 0.756 67 G HN 0.318 nan 8.290 nan 0.000 0.572 68 T N 0.534 115.024 114.554 -0.107 0.000 2.803 68 T HA -0.104 4.246 4.350 0.000 0.000 0.269 68 T C 2.534 177.225 174.700 -0.015 0.000 1.052 68 T CA 1.517 63.598 62.100 -0.032 0.000 1.136 68 T CB -0.113 68.765 68.868 0.016 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 0.017 4.357 4.340 0.000 0.000 0.197 69 Q C 2.648 178.648 176.000 -0.001 0.000 0.964 69 Q CA 1.227 57.020 55.803 -0.015 0.000 0.838 69 Q CB -1.149 27.577 28.738 -0.020 0.000 0.906 69 Q HN 0.468 nan 8.270 nan 0.000 0.444 70 T N 1.223 115.780 114.554 0.005 0.000 2.720 70 T HA -0.140 4.210 4.350 0.000 0.000 0.268 70 T C 1.893 176.593 174.700 0.001 0.000 1.037 70 T CA 1.347 63.449 62.100 0.004 0.000 1.144 70 T CB -0.122 68.748 68.868 0.003 0.000 0.864 70 T HN 0.216 nan 8.240 nan 0.000 0.444 71 R N 0.351 120.851 120.500 -0.000 0.000 2.189 71 R HA 0.042 4.382 4.340 0.000 0.000 0.223 71 R C 2.616 178.920 176.300 0.006 0.000 1.092 71 R CA 0.887 56.989 56.100 0.004 0.000 0.989 71 R CB -0.054 30.252 30.300 0.009 0.000 0.876 71 R HN 0.301 nan 8.270 nan 0.000 0.457 72 R N -0.021 120.482 120.500 0.004 0.000 2.075 72 R HA -0.074 4.266 4.340 0.000 0.000 0.226 72 R C 1.566 177.866 176.300 0.001 0.000 1.114 72 R CA 0.929 57.032 56.100 0.004 0.000 0.972 72 R CB -0.064 30.237 30.300 0.001 0.000 0.869 72 R HN 0.056 nan 8.270 nan 0.000 0.437 73 L N 1.586 122.809 121.223 0.000 0.000 2.083 73 L HA -0.101 4.240 4.340 0.000 0.000 0.209 73 L C 1.418 178.288 176.870 -0.000 0.000 1.083 73 L CA 1.770 56.610 54.840 -0.001 0.000 0.752 73 L CB -0.926 41.133 42.059 -0.000 0.000 0.899 73 L HN 0.300 nan 8.230 nan 0.000 0.433 74 N N -0.721 117.979 118.700 0.000 0.000 2.515 74 N HA 0.058 4.798 4.740 0.000 0.000 0.185 74 N C 1.123 176.634 175.510 0.001 0.000 1.109 74 N CA 0.520 53.570 53.050 0.000 0.000 0.903 74 N CB 0.043 38.530 38.487 0.000 0.000 0.969 74 N HN 0.443 nan 8.380 nan 0.000 0.450 75 G N 1.442 110.243 108.800 0.001 0.000 2.160 75 G HA2 -0.260 3.700 3.960 0.000 0.000 0.251 75 G HA3 -0.260 3.700 3.960 0.000 0.000 0.251 75 G C 0.263 175.165 174.900 0.003 0.000 1.008 75 G CA 0.352 45.453 45.100 0.002 0.000 0.724 75 G HN 0.295 nan 8.290 nan 0.000 0.514 76 D N -1.088 119.314 120.400 0.004 0.000 2.348 76 D HA 0.241 4.881 4.640 0.000 0.000 0.216 76 D C 0.992 177.296 176.300 0.007 0.000 0.970 76 D CA 1.295 55.298 54.000 0.005 0.000 0.889 76 D CB 0.690 41.494 40.800 0.006 0.000 0.912 76 D HN 0.537 nan 8.370 nan 0.000 0.524 77 V N -0.657 119.262 119.914 0.008 0.000 3.048 77 V HA 0.250 4.370 4.120 0.000 0.000 0.303 77 V C -0.714 175.385 176.094 0.008 0.000 1.214 77 V CA -0.942 61.364 62.300 0.010 0.000 0.984 77 V CB 2.223 34.056 31.823 0.017 0.000 1.054 77 V HN -0.038 nan 8.190 nan 0.000 0.430 78 S N 6.701 122.404 115.700 0.006 0.000 2.558 78 S HA 0.186 4.656 4.470 0.000 0.000 0.288 78 S C -1.104 173.499 174.600 0.005 0.000 1.318 78 S CA 0.174 58.377 58.200 0.004 0.000 1.056 78 S CB 1.072 64.274 63.200 0.002 0.000 0.853 78 S HN 0.764 nan 8.310 nan 0.000 0.505 79 P HA -0.117 nan 4.420 nan 0.000 0.220 79 P C 1.084 178.386 177.300 0.004 0.000 1.148 79 P CA 1.009 64.110 63.100 0.002 0.000 0.803 79 P CB 0.141 31.840 31.700 -0.003 0.000 0.782 80 E N 0.200 120.402 120.200 0.004 0.000 2.047 80 E HA -0.164 4.186 4.350 0.000 0.000 0.191 80 E C 1.595 178.199 176.600 0.007 0.000 0.987 80 E CA 1.138 57.541 56.400 0.005 0.000 0.799 80 E CB -0.192 29.511 29.700 0.004 0.000 0.752 80 E HN 0.106 nan 8.360 nan 0.000 0.449 81 D N 0.300 120.704 120.400 0.006 0.000 2.117 81 D HA -0.116 4.524 4.640 0.000 0.000 0.198 81 D C 1.885 178.197 176.300 0.019 0.000 0.982 81 D CA 1.177 55.181 54.000 0.007 0.000 0.828 81 D CB -0.325 40.477 40.800 0.004 0.000 0.967 81 D HN 0.272 nan 8.370 nan 0.000 0.464 82 A N 1.139 123.973 122.820 0.023 0.000 2.032 82 A HA -0.270 4.050 4.320 0.000 0.000 0.221 82 A C 2.107 179.714 177.584 0.038 0.000 1.165 82 A CA 1.537 53.595 52.037 0.035 0.000 0.645 82 A CB -0.548 18.465 19.000 0.021 0.000 0.807 82 A HN 0.279 nan 8.150 nan 0.000 0.453 83 Q N -1.051 118.764 119.800 0.026 0.000 2.062 83 Q HA -0.094 4.246 4.340 0.000 0.000 0.196 83 Q C 2.368 178.389 176.000 0.035 0.000 0.967 83 Q CA 1.245 57.065 55.803 0.028 0.000 0.832 83 Q CB -0.141 28.610 28.738 0.021 0.000 0.899 83 Q HN 0.664 nan 8.270 nan 0.000 0.442 84 R N 0.261 120.775 120.500 0.024 0.000 2.075 84 R HA -0.115 4.225 4.340 0.000 0.000 0.232 84 R C 2.212 178.524 176.300 0.020 0.000 1.126 84 R CA 0.831 56.940 56.100 0.014 0.000 0.963 84 R CB -0.300 29.997 30.300 -0.004 0.000 0.858 84 R HN 0.097 nan 8.270 nan 0.000 0.435 85 L N 0.572 121.815 121.223 0.033 0.000 2.079 85 L HA -0.195 4.145 4.340 0.000 0.000 0.210 85 L C 2.051 179.025 176.870 0.173 0.000 1.081 85 L CA 1.893 56.773 54.840 0.066 0.000 0.752 85 L CB -0.748 41.386 42.059 0.125 0.000 0.896 85 L HN 0.202 nan 8.230 nan 0.000 0.433 86 T N -0.746 113.905 114.554 0.161 0.000 2.643 86 T HA -0.202 4.148 4.350 0.000 0.000 0.264 86 T C 1.942 176.720 174.700 0.130 0.000 1.045 86 T CA 1.413 63.620 62.100 0.177 0.000 1.155 86 T CB -0.570 68.342 68.868 0.073 0.000 0.863 86 T HN 0.458 nan 8.240 nan 0.000 0.420 87 A N 1.524 124.385 122.820 0.068 0.000 1.915 87 A HA -0.317 4.003 4.320 0.000 0.000 0.220 87 A C 1.971 179.560 177.584 0.008 0.000 1.198 87 A CA 2.812 54.869 52.037 0.032 0.000 0.647 87 A CB -1.292 17.716 19.000 0.015 0.000 0.825 87 A HN 0.739 nan 8.150 nan 0.000 0.456 88 H N -1.213 117.781 119.070 -0.126 0.000 2.252 88 H HA -0.204 4.352 4.556 0.000 0.000 0.292 88 H C 1.711 176.883 175.328 -0.259 0.000 1.082 88 H CA 2.541 58.434 56.048 -0.259 0.000 1.229 88 H CB -0.659 28.824 29.762 -0.465 0.000 1.353 88 H HN 0.474 nan 8.280 nan 0.000 0.488 89 F N 0.168 120.010 119.950 -0.180 0.000 2.069 89 F HA -0.245 4.282 4.527 0.000 0.000 0.298 89 F C 2.956 178.637 175.800 -0.197 0.000 1.113 89 F CA 1.354 59.194 58.000 -0.266 0.000 1.214 89 F CB -0.733 38.192 39.000 -0.125 0.000 0.978 89 F HN 0.282 nan 8.300 nan 0.000 0.474 90 Q N 1.361 121.243 119.800 0.137 0.000 2.118 90 Q HA -0.273 4.068 4.340 0.000 0.000 0.211 90 Q C 2.223 178.289 176.000 0.108 0.000 0.998 90 Q CA 2.730 58.629 55.803 0.161 0.000 0.872 90 Q CB -0.895 27.892 28.738 0.082 0.000 0.925 90 Q HN 0.401 nan 8.270 nan 0.000 0.414 91 S N -0.598 115.084 115.700 -0.030 0.000 2.400 91 S HA -0.150 4.320 4.470 0.000 0.000 0.232 91 S C 2.008 176.550 174.600 -0.097 0.000 1.025 91 S CA 1.227 59.388 58.200 -0.066 0.000 0.993 91 S CB -0.655 62.481 63.200 -0.106 0.000 0.808 91 S HN 0.504 nan 8.310 nan 0.000 0.478 92 L N -0.455 120.639 121.223 -0.215 0.000 2.081 92 L HA -0.107 4.234 4.340 0.000 0.000 0.212 92 L C 2.379 179.118 176.870 -0.217 0.000 1.080 92 L CA 1.618 56.299 54.840 -0.265 0.000 0.754 92 L CB -0.783 41.045 42.059 -0.385 0.000 0.893 92 L HN 0.289 nan 8.230 nan 0.000 0.433 93 F N -0.849 118.961 119.950 -0.234 0.000 2.307 93 F HA -0.228 4.300 4.527 0.000 0.000 0.301 93 F C 2.595 178.405 175.800 0.017 0.000 1.076 93 F CA 0.818 58.612 58.000 -0.342 0.000 1.383 93 F CB -1.013 37.589 39.000 -0.662 0.000 1.055 93 F HN 0.184 nan 8.300 nan 0.000 0.526 94 C N -0.139 119.250 119.300 0.148 0.000 2.455 94 C HA -0.217 4.243 4.460 0.000 0.000 0.281 94 C C 3.068 178.143 174.990 0.141 0.000 1.237 94 C CA 1.392 60.486 59.018 0.127 0.000 1.726 94 C CB -1.388 26.380 27.740 0.047 0.000 2.068 94 C HN 0.596 nan 8.230 nan 0.000 0.466 95 S N 2.971 118.726 115.700 0.091 0.000 2.401 95 S HA -0.236 4.234 4.470 0.000 0.000 0.236 95 S C -0.510 174.116 174.600 0.044 0.000 1.058 95 S CA 2.319 60.554 58.200 0.059 0.000 1.151 95 S CB -2.506 60.715 63.200 0.034 0.000 1.049 95 S HN 0.445 nan 8.310 nan 0.000 0.432 96 P HA -0.196 nan 4.420 nan 0.000 0.212 96 P C 1.522 178.785 177.300 -0.060 0.000 1.174 96 P CA 1.844 64.868 63.100 -0.127 0.000 0.934 96 P CB -0.330 31.300 31.700 -0.116 0.000 0.791 97 H N -1.008 118.102 119.070 0.067 0.000 2.426 97 H HA -0.091 4.465 4.556 0.000 0.000 0.298 97 H C 1.867 177.209 175.328 0.022 0.000 1.107 97 H CA 1.800 57.882 56.048 0.057 0.000 1.298 97 H CB -0.605 29.231 29.762 0.123 0.000 1.377 97 H HN 0.067 nan 8.280 nan 0.000 0.519 98 A N 0.822 123.731 122.820 0.148 0.000 1.874 98 A HA -0.068 4.253 4.320 0.000 0.000 0.214 98 A C 2.484 180.118 177.584 0.083 0.000 1.189 98 A CA 0.770 52.864 52.037 0.095 0.000 0.615 98 A CB -0.326 18.711 19.000 0.061 0.000 0.830 98 A HN 0.200 nan 8.150 nan 0.000 0.443 99 I N -0.605 119.981 120.570 0.027 0.000 2.151 99 I HA -0.286 3.884 4.170 0.000 0.000 0.243 99 I C 2.523 178.642 176.117 0.002 0.000 1.080 99 I CA 2.286 63.583 61.300 -0.005 0.000 1.339 99 I CB -1.166 36.794 38.000 -0.067 0.000 1.039 99 I HN 0.458 nan 8.210 nan 0.000 0.409 100 M N 0.593 120.191 119.600 -0.004 0.000 2.139 100 M HA -0.280 4.200 4.480 0.000 0.000 0.260 100 M C 2.532 178.872 176.300 0.067 0.000 1.078 100 M CA 2.280 57.585 55.300 0.008 0.000 1.106 100 M CB -1.002 31.597 32.600 -0.002 0.000 1.275 100 M HN 0.299 nan 8.290 nan 0.000 0.425 101 H N -0.211 118.879 119.070 0.033 0.000 2.362 101 H HA -0.198 4.359 4.556 0.000 0.000 0.294 101 H C 1.661 177.005 175.328 0.027 0.000 1.113 101 H CA 2.885 58.951 56.048 0.029 0.000 1.253 101 H CB -0.379 29.348 29.762 -0.059 0.000 1.363 101 H HN 0.533 nan 8.280 nan 0.000 0.494 102 A N 0.122 122.998 122.820 0.093 0.000 1.972 102 A HA -0.162 4.159 4.320 0.000 0.000 0.219 102 A C 2.273 179.844 177.584 -0.022 0.000 1.169 102 A CA 1.826 53.888 52.037 0.042 0.000 0.635 102 A CB -0.522 18.527 19.000 0.081 0.000 0.810 102 A HN 0.499 nan 8.150 nan 0.000 0.446 103 K N 0.374 120.763 120.400 -0.020 0.000 2.001 103 K HA 0.022 4.342 4.320 0.000 0.000 0.208 103 K C 1.593 178.168 176.600 -0.041 0.000 1.048 103 K CA 1.664 57.936 56.287 -0.024 0.000 0.932 103 K CB -0.623 31.863 32.500 -0.023 0.000 0.715 103 K HN 0.397 nan 8.250 nan 0.000 0.437 104 I N 0.983 121.518 120.570 -0.059 0.000 2.248 104 I HA -0.301 3.870 4.170 0.000 0.000 0.248 104 I C 1.895 177.967 176.117 -0.076 0.000 1.107 104 I CA 1.486 62.751 61.300 -0.058 0.000 1.373 104 I CB -0.238 37.734 38.000 -0.045 0.000 1.055 104 I HN 0.180 nan 8.210 nan 0.000 0.418 105 S N 0.507 116.116 115.700 -0.152 0.000 2.419 105 S HA -0.126 4.344 4.470 0.000 0.000 0.233 105 S C 2.133 176.713 174.600 -0.033 0.000 1.016 105 S CA 1.156 59.289 58.200 -0.112 0.000 0.974 105 S CB -0.243 62.869 63.200 -0.147 0.000 0.786 105 S HN 0.569 nan 8.310 nan 0.000 0.492 106 A N 1.129 123.934 122.820 -0.026 0.000 2.014 106 A HA 0.177 4.497 4.320 0.000 0.000 0.218 106 A C 1.707 179.295 177.584 0.007 0.000 1.163 106 A CA 0.711 52.747 52.037 -0.003 0.000 0.652 106 A CB -0.383 18.616 19.000 -0.002 0.000 0.808 106 A HN 0.484 nan 8.150 nan 0.000 0.449 107 L N -1.097 120.130 121.223 0.006 0.000 2.627 107 L HA 0.247 4.587 4.340 0.000 0.000 0.232 107 L C 0.424 177.318 176.870 0.040 0.000 1.150 107 L CA -0.223 54.630 54.840 0.023 0.000 0.917 107 L CB -0.382 41.689 42.059 0.020 0.000 1.104 107 L HN 0.307 nan 8.230 nan 0.000 0.445 108 M N 0.770 120.390 119.600 0.033 0.000 2.113 108 M HA 0.163 4.643 4.480 0.000 0.000 0.352 108 M C -0.343 175.984 176.300 0.044 0.000 1.170 108 M CA -0.373 54.955 55.300 0.047 0.000 1.053 108 M CB 0.930 33.555 32.600 0.043 0.000 1.601 108 M HN -0.110 nan 8.290 nan 0.000 0.459 109 D N 2.314 122.744 120.400 0.050 0.000 2.346 109 D HA 0.106 4.746 4.640 0.000 0.000 0.260 109 D C -0.462 175.862 176.300 0.041 0.000 1.252 109 D CA 0.399 54.425 54.000 0.043 0.000 0.895 109 D CB 0.661 41.487 40.800 0.044 0.000 1.097 109 D HN 0.596 nan 8.370 nan 0.000 0.489 110 T N 2.603 117.178 114.554 0.036 0.000 3.243 110 T HA 0.163 4.513 4.350 0.000 0.000 0.245 110 T C 0.064 174.782 174.700 0.030 0.000 1.263 110 T CA -0.512 61.609 62.100 0.035 0.000 1.228 110 T CB -0.014 68.875 68.868 0.034 0.000 1.097 110 T HN 0.226 nan 8.240 nan 0.000 0.628 111 S N 2.371 118.088 115.700 0.029 0.000 2.525 111 S HA 0.558 5.028 4.470 0.000 0.000 0.278 111 S C 0.677 175.292 174.600 0.024 0.000 1.234 111 S CA -0.647 57.568 58.200 0.025 0.000 1.058 111 S CB 0.545 63.760 63.200 0.024 0.000 0.983 111 S HN 0.617 nan 8.310 nan 0.000 0.495 122 P HA 0.356 nan 4.420 nan 0.000 0.277 122 P C -0.608 176.479 177.300 -0.354 0.000 1.276 122 P CA -0.324 62.504 63.100 -0.454 0.000 0.788 122 P CB 0.344 31.838 31.700 -0.344 0.000 1.114 123 Y N -2.207 118.035 120.300 -0.096 0.000 2.360 123 Y HA 0.513 5.063 4.550 0.000 0.000 0.337 123 Y C 0.282 176.081 175.900 -0.168 0.000 1.039 123 Y CA -2.111 55.912 58.100 -0.128 0.000 1.109 123 Y CB 0.534 38.945 38.460 -0.082 0.000 1.201 123 Y HN 0.156 nan 8.280 nan 0.000 0.458 124 K N 4.441 124.777 120.400 -0.108 0.000 2.349 124 K HA 0.294 4.614 4.320 0.000 0.000 0.288 124 K C -0.398 176.145 176.600 -0.096 0.000 1.058 124 K CA -0.216 55.877 56.287 -0.324 0.000 0.953 124 K CB 0.782 32.557 32.500 -1.208 0.000 0.997 124 K HN 0.874 nan 8.250 nan 0.000 0.477 125 I N 4.438 125.068 120.570 0.101 0.000 2.315 125 I HA 0.221 4.391 4.170 0.000 0.000 0.291 125 I C -0.648 175.654 176.117 0.308 0.000 1.006 125 I CA -0.960 60.441 61.300 0.169 0.000 1.265 125 I CB 0.681 38.781 38.000 0.167 0.000 1.387 125 I HN 0.609 nan 8.210 nan 0.000 0.475 126 M N 7.718 127.484 119.600 0.278 0.000 2.055 126 M HA 0.435 4.915 4.480 0.000 0.000 0.346 126 M C -1.515 174.821 176.300 0.059 0.000 1.074 126 M CA -0.398 55.030 55.300 0.213 0.000 1.009 126 M CB 1.330 34.040 32.600 0.184 0.000 1.423 126 M HN 0.577 nan 8.290 nan 0.000 0.410 127 L N 2.894 124.172 121.223 0.091 0.000 2.371 127 L HA 0.712 5.053 4.340 0.000 0.000 0.272 127 L C -0.177 176.708 176.870 0.025 0.000 1.124 127 L CA 0.697 55.574 54.840 0.061 0.000 0.816 127 L CB 1.503 43.664 42.059 0.170 0.000 1.129 127 L HN 0.955 nan 8.230 nan 0.000 0.448 128 S N 2.581 118.281 115.700 0.001 0.000 2.548 128 S HA 0.421 4.891 4.470 0.000 0.000 0.286 128 S C -1.240 173.484 174.600 0.207 0.000 1.098 128 S CA -0.812 57.449 58.200 0.103 0.000 0.930 128 S CB 1.220 64.495 63.200 0.125 0.000 1.070 128 S HN 0.669 nan 8.310 nan 0.000 0.480 129 D N 3.080 123.623 120.400 0.238 0.000 2.380 129 D HA 0.391 5.031 4.640 0.000 0.000 0.230 129 D C -0.303 176.215 176.300 0.363 0.000 1.154 129 D CA 0.444 54.595 54.000 0.251 0.000 0.859 129 D CB -0.282 40.635 40.800 0.194 0.000 1.045 129 D HN 0.653 nan 8.370 nan 0.000 0.495 130 R N 1.568 122.253 120.500 0.308 0.000 1.008 130 R HA -0.195 4.145 4.340 0.000 0.000 0.429 130 R C -0.644 175.727 176.300 0.118 0.000 1.364 130 R CA 0.121 56.366 56.100 0.241 0.000 1.225 130 R CB -0.536 29.921 30.300 0.262 0.000 3.501 130 R HN 0.651 nan 8.270 nan 0.000 0.510 131 H N 3.874 122.895 119.070 -0.081 0.000 2.472 131 H HA 0.240 4.797 4.556 0.000 0.000 0.338 131 H C -1.856 173.231 175.328 -0.402 0.000 1.133 131 H CA -2.160 53.693 56.048 -0.325 0.000 1.216 131 H CB 1.916 31.478 29.762 -0.333 0.000 1.497 131 H HN 0.214 nan 8.280 nan 0.000 0.500 132 P HA -0.227 nan 4.420 nan 0.000 0.219 132 P C 1.738 179.002 177.300 -0.060 0.000 1.153 132 P CA 2.305 65.207 63.100 -0.329 0.000 0.865 132 P CB -0.134 31.283 31.700 -0.472 0.000 0.788 133 I N -4.126 116.532 120.570 0.147 0.000 2.530 133 I HA -0.197 3.974 4.170 0.000 0.000 0.257 133 I C 1.927 178.048 176.117 0.007 0.000 1.179 133 I CA 1.610 62.921 61.300 0.019 0.000 1.440 133 I CB -0.933 37.030 38.000 -0.062 0.000 1.087 133 I HN -0.162 nan 8.210 nan 0.000 0.440 134 A N 2.057 124.917 122.820 0.066 0.000 1.902 134 A HA -0.199 4.121 4.320 0.000 0.000 0.217 134 A C 2.588 180.233 177.584 0.101 0.000 1.181 134 A CA 2.387 54.525 52.037 0.168 0.000 0.623 134 A CB -0.910 18.230 19.000 0.234 0.000 0.818 134 A HN 0.698 nan 8.150 nan 0.000 0.443 135 S N -0.845 114.838 115.700 -0.028 0.000 2.406 135 S HA -0.102 4.368 4.470 0.000 0.000 0.224 135 S C 1.846 176.426 174.600 -0.032 0.000 1.030 135 S CA 1.580 59.736 58.200 -0.073 0.000 0.958 135 S CB -1.030 62.157 63.200 -0.021 0.000 0.811 135 S HN 0.751 nan 8.310 nan 0.000 0.489 136 T N -0.873 113.658 114.554 -0.038 0.000 3.081 136 T HA 0.373 4.723 4.350 0.000 0.000 0.255 136 T C 1.427 176.068 174.700 -0.098 0.000 1.113 136 T CA 0.435 62.496 62.100 -0.064 0.000 1.082 136 T CB -0.259 68.570 68.868 -0.065 0.000 0.939 136 T HN 0.687 nan 8.240 nan 0.000 0.506 137 I N -2.535 117.980 120.570 -0.092 0.000 4.420 137 I HA 0.234 4.404 4.170 0.000 0.000 0.292 137 I C 1.738 177.754 176.117 -0.169 0.000 1.153 137 I CA -0.211 61.002 61.300 -0.145 0.000 1.315 137 I CB -0.219 37.679 38.000 -0.170 0.000 1.616 137 I HN 0.097 nan 8.210 nan 0.000 0.450 138 C N 1.510 120.701 119.300 -0.181 0.000 2.496 138 C HA -0.027 4.433 4.460 0.000 0.000 0.281 138 C C 2.505 177.351 174.990 -0.239 0.000 1.250 138 C CA 1.222 60.030 59.018 -0.351 0.000 1.717 138 C CB -1.203 26.135 27.740 -0.670 0.000 2.082 138 C HN 0.611 nan 8.230 nan 0.000 0.472 139 F N 1.898 121.736 119.950 -0.186 0.000 2.051 139 F HA -0.072 4.455 4.527 0.000 0.000 0.296 139 F C 0.193 175.972 175.800 -0.034 0.000 1.122 139 F CA 2.003 59.958 58.000 -0.075 0.000 1.201 139 F CB -2.276 36.667 39.000 -0.094 0.000 0.978 139 F HN 0.187 nan 8.300 nan 0.000 0.472 140 P HA -0.220 nan 4.420 nan 0.000 0.217 140 P C 1.912 179.228 177.300 0.026 0.000 1.151 140 P CA 1.533 64.663 63.100 0.050 0.000 0.849 140 P CB -0.068 31.616 31.700 -0.026 0.000 0.787 141 L N -0.299 120.897 121.223 -0.045 0.000 2.156 141 L HA -0.037 4.303 4.340 0.000 0.000 0.208 141 L C 2.627 179.486 176.870 -0.019 0.000 1.095 141 L CA 1.705 56.512 54.840 -0.056 0.000 0.770 141 L CB -1.535 40.434 42.059 -0.150 0.000 0.914 141 L HN -0.084 nan 8.230 nan 0.000 0.439 142 S N -1.021 114.626 115.700 -0.089 0.000 2.368 142 S HA -0.106 4.364 4.470 0.000 0.000 0.224 142 S C 2.019 176.682 174.600 0.105 0.000 1.029 142 S CA 0.601 58.716 58.200 -0.142 0.000 0.988 142 S CB -0.121 62.795 63.200 -0.473 0.000 0.838 142 S HN 0.328 nan 8.310 nan 0.000 0.462 143 R N 0.555 121.215 120.500 0.267 0.000 2.091 143 R HA -0.107 4.234 4.340 0.000 0.000 0.238 143 R C 2.029 178.404 176.300 0.126 0.000 1.136 143 R CA 1.529 57.780 56.100 0.252 0.000 0.959 143 R CB -1.179 29.221 30.300 0.166 0.000 0.856 143 R HN 0.603 nan 8.270 nan 0.000 0.437 144 Y N 1.690 121.993 120.300 0.006 0.000 2.070 144 Y HA -0.230 4.321 4.550 0.000 0.000 0.280 144 Y C 2.316 178.196 175.900 -0.034 0.000 1.148 144 Y CA 1.781 59.865 58.100 -0.027 0.000 1.125 144 Y CB -0.565 37.860 38.460 -0.058 0.000 0.975 144 Y HN -0.081 nan 8.280 nan 0.000 0.492 145 L N -0.603 120.546 121.223 -0.123 0.000 2.051 145 L HA -0.284 4.056 4.340 0.000 0.000 0.214 145 L C 2.314 179.041 176.870 -0.239 0.000 1.076 145 L CA 1.463 56.158 54.840 -0.242 0.000 0.758 145 L CB -0.854 41.113 42.059 -0.153 0.000 0.890 145 L HN 0.212 nan 8.230 nan 0.000 0.433 146 V N -0.449 119.398 119.914 -0.111 0.000 3.217 146 V HA 0.014 4.134 4.120 0.000 0.000 0.264 146 V C 1.632 177.672 176.094 -0.090 0.000 1.135 146 V CA 1.319 63.588 62.300 -0.052 0.000 1.142 146 V CB -0.106 31.784 31.823 0.112 0.000 0.754 146 V HN 0.780 nan 8.190 nan 0.000 0.484 147 G N -0.054 108.650 108.800 -0.160 0.000 2.157 147 G HA2 -0.216 3.744 3.960 0.000 0.000 0.239 147 G HA3 -0.216 3.744 3.960 0.000 0.000 0.239 147 G C 0.423 175.278 174.900 -0.076 0.000 0.982 147 G CA 0.353 45.360 45.100 -0.155 0.000 0.650 147 G HN 0.462 nan 8.290 nan 0.000 0.527 148 D N -0.457 119.920 120.400 -0.040 0.000 2.348 148 D HA 0.197 4.837 4.640 0.000 0.000 0.211 148 D C 1.206 177.507 176.300 0.001 0.000 0.998 148 D CA 0.852 54.838 54.000 -0.023 0.000 0.873 148 D CB 0.261 41.034 40.800 -0.045 0.000 0.925 148 D HN 0.602 nan 8.370 nan 0.000 0.524 149 M N 0.305 119.919 119.600 0.023 0.000 2.501 149 M HA 0.228 4.709 4.480 0.000 0.000 0.293 149 M C -1.173 175.190 176.300 0.106 0.000 1.192 149 M CA -0.625 54.711 55.300 0.060 0.000 0.886 149 M CB 2.278 34.924 32.600 0.078 0.000 1.710 149 M HN -0.204 nan 8.290 nan 0.000 0.457 150 S N 3.704 119.457 115.700 0.089 0.000 2.523 150 S HA 0.411 4.881 4.470 0.000 0.000 0.275 150 S C -1.812 172.853 174.600 0.108 0.000 1.281 150 S CA -1.055 57.212 58.200 0.112 0.000 1.050 150 S CB 0.614 63.848 63.200 0.056 0.000 0.937 150 S HN 0.690 nan 8.310 nan 0.000 0.492 151 P HA -0.231 nan 4.420 nan 0.000 0.218 151 P C 1.429 178.638 177.300 -0.152 0.000 1.146 151 P CA 1.696 64.731 63.100 -0.107 0.000 0.820 151 P CB -0.249 31.355 31.700 -0.159 0.000 0.778 152 A N 0.550 123.329 122.820 -0.068 0.000 2.093 152 A HA -0.115 4.205 4.320 0.000 0.000 0.222 152 A C 2.255 179.768 177.584 -0.118 0.000 1.162 152 A CA 2.027 54.019 52.037 -0.075 0.000 0.655 152 A CB -1.243 17.746 19.000 -0.018 0.000 0.805 152 A HN 0.338 nan 8.150 nan 0.000 0.461 153 A N -1.310 121.435 122.820 -0.125 0.000 2.387 153 A HA 0.506 4.826 4.320 0.000 0.000 0.234 153 A C 1.695 179.140 177.584 -0.232 0.000 1.253 153 A CA 0.052 52.005 52.037 -0.140 0.000 0.894 153 A CB -0.237 18.715 19.000 -0.080 0.000 0.963 153 A HN 0.419 nan 8.150 nan 0.000 0.508 154 L N -0.376 120.643 121.223 -0.340 0.000 2.072 154 L HA -0.043 4.297 4.340 0.000 0.000 0.205 154 L C -0.624 175.814 176.870 -0.720 0.000 1.079 154 L CA 1.052 55.599 54.840 -0.488 0.000 0.752 154 L CB -1.324 40.405 42.059 -0.549 0.000 0.906 154 L HN 0.182 nan 8.230 nan 0.000 0.436 155 P HA -0.145 nan 4.420 nan 0.000 0.215 155 P C 1.578 178.625 177.300 -0.422 0.000 1.153 155 P CA 1.702 64.240 63.100 -0.938 0.000 0.853 155 P CB -0.186 31.011 31.700 -0.837 0.000 0.788 156 G N -0.941 107.702 108.800 -0.262 0.000 2.470 156 G HA2 -0.169 3.791 3.960 0.000 0.000 0.220 156 G HA3 -0.169 3.791 3.960 0.000 0.000 0.220 156 G C 1.261 176.085 174.900 -0.126 0.000 1.121 156 G CA 0.662 45.691 45.100 -0.119 0.000 0.766 156 G HN 0.250 nan 8.290 nan 0.000 0.553 157 L N -1.076 120.019 121.223 -0.214 0.000 2.445 157 L HA 0.325 4.665 4.340 0.000 0.000 0.207 157 L C 2.582 179.334 176.870 -0.197 0.000 1.053 157 L CA 0.019 54.757 54.840 -0.170 0.000 0.841 157 L CB -0.295 41.667 42.059 -0.161 0.000 1.074 157 L HN 0.066 nan 8.230 nan 0.000 0.479 158 L N -0.691 120.315 121.223 -0.362 0.000 2.095 158 L HA -0.027 4.313 4.340 0.000 0.000 0.204 158 L C 2.247 179.069 176.870 -0.080 0.000 1.080 158 L CA 1.021 55.657 54.840 -0.340 0.000 0.759 158 L CB -0.363 41.325 42.059 -0.618 0.000 0.914 158 L HN 0.161 nan 8.230 nan 0.000 0.439 159 F N -0.168 119.718 119.950 -0.107 0.000 2.710 159 F HA -0.005 4.522 4.527 0.000 0.000 0.298 159 F C 2.242 178.048 175.800 0.010 0.000 1.137 159 F CA 0.519 58.493 58.000 -0.042 0.000 1.444 159 F CB -1.329 37.664 39.000 -0.011 0.000 1.111 159 F HN 0.092 nan 8.300 nan 0.000 0.580 160 T N -1.925 112.720 114.554 0.152 0.000 3.223 160 T HA 0.299 4.649 4.350 0.000 0.000 0.259 160 T C 0.451 175.195 174.700 0.073 0.000 1.015 160 T CA -0.101 62.066 62.100 0.112 0.000 0.908 160 T CB -0.748 68.168 68.868 0.079 0.000 1.054 160 T HN -0.034 nan 8.240 nan 0.000 0.567 161 L N 3.305 124.568 121.223 0.066 0.000 2.490 161 L HA 0.306 4.646 4.340 0.000 0.000 0.274 161 L C -1.541 175.363 176.870 0.057 0.000 1.201 161 L CA -1.556 53.308 54.840 0.041 0.000 0.869 161 L CB 0.187 42.261 42.059 0.026 0.000 1.123 161 L HN 0.208 nan 8.230 nan 0.000 0.484 162 P HA 0.220 nan 4.420 nan 0.000 0.284 162 P C -0.882 176.475 177.300 0.096 0.000 1.258 162 P CA -0.654 62.494 63.100 0.080 0.000 0.824 162 P CB 1.263 33.022 31.700 0.097 0.000 1.038 163 A N 1.941 124.817 122.820 0.092 0.000 2.573 163 A HA -0.013 4.307 4.320 0.000 0.000 0.250 163 A C 0.547 178.213 177.584 0.136 0.000 1.049 163 A CA 0.301 52.395 52.037 0.094 0.000 0.767 163 A CB -0.748 18.298 19.000 0.076 0.000 0.965 163 A HN 0.583 nan 8.150 nan 0.000 0.514 164 E N 3.862 124.143 120.200 0.136 0.000 2.229 164 E HA 0.400 4.750 4.350 0.000 0.000 0.283 164 E C -2.105 174.587 176.600 0.154 0.000 1.030 164 E CA -1.747 54.767 56.400 0.189 0.000 0.836 164 E CB 0.650 30.441 29.700 0.152 0.000 1.068 164 E HN 0.525 nan 8.360 nan 0.000 0.401 165 P HA 0.221 nan 4.420 nan 0.000 0.275 165 P C -2.530 174.846 177.300 0.126 0.000 1.227 165 P CA -1.459 61.711 63.100 0.117 0.000 0.781 165 P CB 0.315 32.069 31.700 0.090 0.000 0.906 166 P HA 0.119 nan 4.420 nan 0.000 0.265 166 P C 0.886 178.250 177.300 0.106 0.000 1.187 166 P CA 1.129 64.284 63.100 0.091 0.000 0.766 166 P CB -0.054 31.688 31.700 0.069 0.000 0.820 167 G N 0.875 109.741 108.800 0.110 0.000 2.135 167 G HA2 -0.163 3.797 3.960 0.000 0.000 0.183 167 G HA3 -0.163 3.797 3.960 0.000 0.000 0.183 167 G C 0.067 175.070 174.900 0.171 0.000 1.004 167 G CA -0.393 44.778 45.100 0.118 0.000 0.677 167 G HN 0.577 nan 8.290 nan 0.000 0.512 168 T N 2.024 116.702 114.554 0.206 0.000 2.749 168 T HA 0.430 4.780 4.350 0.000 0.000 0.295 168 T C 0.091 174.941 174.700 0.250 0.000 0.936 168 T CA -0.216 62.071 62.100 0.312 0.000 1.060 168 T CB 0.690 69.739 68.868 0.302 0.000 0.904 168 T HN 0.269 nan 8.240 nan 0.000 0.500 169 N N 3.940 122.823 118.700 0.305 0.000 2.501 169 N HA 0.263 5.003 4.740 0.000 0.000 0.245 169 N C -0.927 174.774 175.510 0.318 0.000 0.974 169 N CA -0.368 52.858 53.050 0.294 0.000 0.941 169 N CB 1.628 40.289 38.487 0.291 0.000 1.122 169 N HN 0.528 nan 8.380 nan 0.000 0.507 170 L N 3.061 124.420 121.223 0.227 0.000 2.260 170 L HA 0.328 4.668 4.340 0.000 0.000 0.289 170 L C -0.613 176.374 176.870 0.195 0.000 1.057 170 L CA -0.591 54.362 54.840 0.189 0.000 0.811 170 L CB 0.799 42.893 42.059 0.059 0.000 1.184 170 L HN 0.117 nan 8.230 nan 0.000 0.429 171 V N 6.226 126.251 119.914 0.185 0.000 2.275 171 V HA 0.188 4.308 4.120 0.000 0.000 0.272 171 V C 0.147 176.273 176.094 0.052 0.000 1.028 171 V CA -0.616 61.771 62.300 0.146 0.000 0.810 171 V CB 1.363 33.241 31.823 0.092 0.000 1.043 171 V HN 0.417 nan 8.190 nan 0.000 0.453 172 V N 4.340 124.269 119.914 0.026 0.000 2.439 172 V HA 0.131 4.252 4.120 0.000 0.000 0.271 172 V C 0.568 176.613 176.094 -0.082 0.000 1.040 172 V CA -0.200 62.053 62.300 -0.079 0.000 1.002 172 V CB 0.692 32.484 31.823 -0.052 0.000 1.000 172 V HN 0.924 nan 8.190 nan 0.000 0.477 173 C N 4.757 123.976 119.300 -0.135 0.000 2.539 173 C HA 0.702 5.162 4.460 0.000 0.000 0.392 173 C C 0.843 175.760 174.990 -0.122 0.000 1.269 173 C CA -0.328 58.627 59.018 -0.104 0.000 2.250 173 C CB 0.496 28.175 27.740 -0.102 0.000 2.584 173 C HN 1.008 nan 8.230 nan 0.000 0.589 174 T N -0.128 114.377 114.554 -0.082 0.000 2.909 174 T HA 0.784 5.135 4.350 0.000 0.000 0.299 174 T C -1.064 173.598 174.700 -0.063 0.000 1.073 174 T CA -0.512 61.544 62.100 -0.073 0.000 0.999 174 T CB 1.169 70.017 68.868 -0.034 0.000 1.098 174 T HN 0.487 nan 8.240 nan 0.000 0.477 175 V N 1.880 121.755 119.914 -0.064 0.000 3.078 175 V HA 0.726 4.846 4.120 0.000 0.000 0.311 175 V C 0.522 176.618 176.094 0.004 0.000 1.138 175 V CA -1.026 61.249 62.300 -0.042 0.000 1.007 175 V CB 2.302 34.072 31.823 -0.088 0.000 1.045 175 V HN 1.290 nan 8.190 nan 0.000 0.432 176 S N 1.853 117.562 115.700 0.016 0.000 2.579 176 S HA 0.226 4.696 4.470 0.000 0.000 0.275 176 S C 0.848 175.479 174.600 0.052 0.000 1.345 176 S CA -0.188 58.028 58.200 0.027 0.000 1.031 176 S CB 0.795 64.007 63.200 0.020 0.000 0.892 176 S HN 0.741 nan 8.310 nan 0.000 0.529 177 L N 2.444 123.690 121.223 0.038 0.000 1.976 177 L HA 0.133 4.473 4.340 0.000 0.000 0.209 177 L C -1.012 175.868 176.870 0.018 0.000 1.071 177 L CA 1.731 56.588 54.840 0.027 0.000 0.746 177 L CB -1.936 40.119 42.059 -0.007 0.000 0.890 177 L HN 0.551 nan 8.230 nan 0.000 0.432 178 P HA -0.127 nan 4.420 nan 0.000 0.220 178 P C 1.943 179.256 177.300 0.022 0.000 1.148 178 P CA 1.580 64.683 63.100 0.005 0.000 0.803 178 P CB -0.010 31.692 31.700 0.003 0.000 0.782 179 S N -1.847 113.877 115.700 0.039 0.000 2.395 179 S HA -0.166 4.305 4.470 0.000 0.000 0.225 179 S C 1.952 176.604 174.600 0.085 0.000 1.027 179 S CA 0.694 58.921 58.200 0.044 0.000 0.965 179 S CB -0.985 62.233 63.200 0.031 0.000 0.812 179 S HN 0.269 nan 8.310 nan 0.000 0.482 180 H N 0.424 119.474 119.070 -0.032 0.000 2.421 180 H HA 0.099 4.655 4.556 0.000 0.000 0.298 180 H C 1.399 176.700 175.328 -0.046 0.000 1.087 180 H CA 1.232 57.251 56.048 -0.048 0.000 1.330 180 H CB -0.051 29.668 29.762 -0.071 0.000 1.388 180 H HN 0.359 nan 8.280 nan 0.000 0.526 181 L N 0.936 122.189 121.223 0.049 0.000 2.650 181 L HA 0.010 4.350 4.340 0.000 0.000 0.235 181 L C 1.753 178.635 176.870 0.020 0.000 1.149 181 L CA 0.609 55.435 54.840 -0.023 0.000 0.887 181 L CB 0.056 42.079 42.059 -0.061 0.000 1.021 181 L HN 0.367 nan 8.230 nan 0.000 0.441 182 S N -2.038 113.691 115.700 0.048 0.000 2.575 182 S HA 0.101 4.571 4.470 0.000 0.000 0.230 182 S C 1.892 176.522 174.600 0.050 0.000 1.062 182 S CA -0.607 57.616 58.200 0.038 0.000 0.913 182 S CB 0.153 63.369 63.200 0.026 0.000 0.837 182 S HN 0.195 nan 8.310 nan 0.000 0.487 183 R N 1.585 122.127 120.500 0.070 0.000 2.189 183 R HA 0.212 4.553 4.340 0.000 0.000 0.223 183 R C 0.808 177.161 176.300 0.088 0.000 1.092 183 R CA 0.453 56.593 56.100 0.066 0.000 0.989 183 R CB -0.912 29.419 30.300 0.051 0.000 0.876 183 R HN 0.401 nan 8.270 nan 0.000 0.457 194 V N 2.770 122.709 119.914 0.042 0.000 2.288 194 V HA 0.743 4.863 4.120 0.000 0.000 0.266 194 V C 0.035 176.155 176.094 0.045 0.000 1.048 194 V CA -0.381 61.956 62.300 0.061 0.000 0.842 194 V CB -0.039 31.801 31.823 0.028 0.000 1.064 194 V HN 0.984 nan 8.190 nan 0.000 0.472 195 N N 3.997 122.743 118.700 0.077 0.000 2.461 195 N HA 0.576 5.316 4.740 0.000 0.000 0.284 195 N C 0.327 175.864 175.510 0.046 0.000 1.049 195 N CA -0.842 52.243 53.050 0.059 0.000 0.889 195 N CB 2.190 40.725 38.487 0.080 0.000 1.365 195 N HN 0.360 nan 8.380 nan 0.000 0.499 196 L N 1.781 123.000 121.223 -0.007 0.000 1.965 196 L HA -0.186 4.154 4.340 0.000 0.000 0.226 196 L C -0.613 176.245 176.870 -0.021 0.000 1.083 196 L CA 2.082 56.896 54.840 -0.044 0.000 0.790 196 L CB -1.681 40.350 42.059 -0.046 0.000 0.898 196 L HN 0.502 nan 8.230 nan 0.000 0.439 197 P HA -0.304 nan 4.420 nan 0.000 0.224 197 P C 1.563 178.888 177.300 0.041 0.000 1.153 197 P CA 2.060 65.169 63.100 0.016 0.000 0.947 197 P CB -0.169 31.555 31.700 0.040 0.000 0.790 198 F N -0.558 119.367 119.950 -0.042 0.000 2.113 198 F HA -0.154 4.374 4.527 0.000 0.000 0.297 198 F C 2.138 177.898 175.800 -0.067 0.000 1.103 198 F CA 1.159 59.139 58.000 -0.033 0.000 1.248 198 F CB -0.947 38.083 39.000 0.049 0.000 0.999 198 F HN -0.292 nan 8.300 nan 0.000 0.475 199 V N 0.258 120.128 119.914 -0.073 0.000 2.220 199 V HA -0.380 3.741 4.120 0.000 0.000 0.246 199 V C 2.457 178.398 176.094 -0.254 0.000 1.049 199 V CA 2.283 64.436 62.300 -0.245 0.000 1.003 199 V CB -0.717 30.918 31.823 -0.314 0.000 0.634 199 V HN 0.370 nan 8.190 nan 0.000 0.444 200 M N -0.375 119.112 119.600 -0.188 0.000 2.116 200 M HA -0.207 4.273 4.480 0.000 0.000 0.255 200 M C 1.861 178.055 176.300 -0.176 0.000 1.075 200 M CA 1.896 57.105 55.300 -0.152 0.000 1.087 200 M CB -0.682 31.851 32.600 -0.112 0.000 1.340 200 M HN 0.196 nan 8.290 nan 0.000 0.402 201 V N -0.892 118.881 119.914 -0.235 0.000 2.283 201 V HA -0.227 3.893 4.120 0.000 0.000 0.243 201 V C 2.208 178.098 176.094 -0.340 0.000 1.039 201 V CA 1.527 63.660 62.300 -0.279 0.000 1.016 201 V CB -0.820 30.821 31.823 -0.304 0.000 0.650 201 V HN 0.478 nan 8.190 nan 0.000 0.449 202 L N 0.588 121.511 121.223 -0.501 0.000 2.021 202 L HA -0.244 4.096 4.340 0.000 0.000 0.215 202 L C 2.663 179.414 176.870 -0.200 0.000 1.074 202 L CA 2.083 56.625 54.840 -0.496 0.000 0.760 202 L CB -0.760 40.917 42.059 -0.636 0.000 0.889 202 L HN 0.282 nan 8.230 nan 0.000 0.433 203 R N -0.676 119.748 120.500 -0.126 0.000 2.080 203 R HA -0.204 4.136 4.340 0.000 0.000 0.236 203 R C 2.091 178.377 176.300 -0.023 0.000 1.137 203 R CA 1.956 58.044 56.100 -0.019 0.000 0.943 203 R CB -0.919 29.371 30.300 -0.017 0.000 0.846 203 R HN 0.526 nan 8.270 nan 0.000 0.431 204 N N 0.137 118.788 118.700 -0.082 0.000 2.036 204 N HA -0.177 4.563 4.740 0.000 0.000 0.195 204 N C 1.848 177.305 175.510 -0.087 0.000 1.037 204 N CA 1.680 54.685 53.050 -0.076 0.000 0.855 204 N CB -0.145 38.277 38.487 -0.109 0.000 1.033 204 N HN -0.041 nan 8.380 nan 0.000 0.423 205 V N 0.392 120.206 119.914 -0.166 0.000 2.252 205 V HA -0.300 3.820 4.120 0.000 0.000 0.249 205 V C 1.689 177.667 176.094 -0.192 0.000 1.056 205 V CA 1.729 63.897 62.300 -0.220 0.000 1.022 205 V CB -0.900 30.714 31.823 -0.350 0.000 0.641 205 V HN 0.342 nan 8.190 nan 0.000 0.445 206 Y N -0.542 119.676 120.300 -0.137 0.000 2.151 206 Y HA -0.247 4.303 4.550 0.000 0.000 0.284 206 Y C 2.434 178.293 175.900 -0.068 0.000 1.166 206 Y CA 1.520 59.561 58.100 -0.099 0.000 1.163 206 Y CB -0.447 37.958 38.460 -0.091 0.000 0.974 206 Y HN 0.110 nan 8.280 nan 0.000 0.511 207 I N -0.385 120.242 120.570 0.096 0.000 2.127 207 I HA -0.383 3.788 4.170 0.000 0.000 0.241 207 I C 2.349 178.483 176.117 0.029 0.000 1.075 207 I CA 1.750 63.082 61.300 0.054 0.000 1.334 207 I CB -1.212 36.807 38.000 0.033 0.000 1.040 207 I HN 0.337 nan 8.210 nan 0.000 0.405 208 M N -0.293 119.305 119.600 -0.004 0.000 2.073 208 M HA -0.289 4.191 4.480 0.000 0.000 0.258 208 M C 2.388 178.668 176.300 -0.033 0.000 1.070 208 M CA 1.785 57.074 55.300 -0.019 0.000 1.103 208 M CB -0.569 32.003 32.600 -0.048 0.000 1.321 208 M HN 0.233 nan 8.290 nan 0.000 0.405 209 L N 0.653 121.837 121.223 -0.065 0.000 2.011 209 L HA -0.342 3.999 4.340 0.000 0.000 0.225 209 L C 2.358 179.221 176.870 -0.011 0.000 1.084 209 L CA 1.950 56.748 54.840 -0.070 0.000 0.791 209 L CB -0.419 41.602 42.059 -0.064 0.000 0.898 209 L HN 0.337 nan 8.230 nan 0.000 0.440 210 I N -0.051 120.534 120.570 0.027 0.000 2.091 210 I HA -0.395 3.775 4.170 0.000 0.000 0.239 210 I C 2.243 178.385 176.117 0.042 0.000 1.061 210 I CA 1.777 63.094 61.300 0.029 0.000 1.317 210 I CB -0.698 37.324 38.000 0.036 0.000 1.031 210 I HN 0.448 nan 8.210 nan 0.000 0.401 211 N N 0.493 119.224 118.700 0.052 0.000 2.137 211 N HA -0.162 4.579 4.740 0.000 0.000 0.190 211 N C 1.788 177.383 175.510 0.142 0.000 1.017 211 N CA 1.972 55.076 53.050 0.090 0.000 0.859 211 N CB -0.682 37.853 38.487 0.079 0.000 1.002 211 N HN 0.412 nan 8.380 nan 0.000 0.428 212 T N 1.787 116.394 114.554 0.088 0.000 2.777 212 T HA 0.021 4.371 4.350 0.000 0.000 0.266 212 T C 2.135 176.960 174.700 0.209 0.000 1.040 212 T CA 0.660 62.837 62.100 0.128 0.000 1.141 212 T CB -0.121 68.727 68.868 -0.033 0.000 0.868 212 T HN 0.202 nan 8.240 nan 0.000 0.444 213 I N 0.839 121.474 120.570 0.109 0.000 2.113 213 I HA -0.159 4.011 4.170 0.000 0.000 0.238 213 I C 2.334 178.523 176.117 0.119 0.000 1.070 213 I CA 1.450 62.805 61.300 0.090 0.000 1.332 213 I CB -0.590 37.420 38.000 0.016 0.000 1.044 213 I HN 0.193 nan 8.210 nan 0.000 0.402 214 I N 0.429 121.061 120.570 0.102 0.000 2.091 214 I HA -0.360 3.810 4.170 0.000 0.000 0.239 214 I C 2.626 178.825 176.117 0.137 0.000 1.061 214 I CA 1.786 63.138 61.300 0.087 0.000 1.317 214 I CB -0.605 37.440 38.000 0.075 0.000 1.031 214 I HN 0.139 nan 8.210 nan 0.000 0.401 215 F N 1.558 121.549 119.950 0.068 0.000 2.043 215 F HA -0.310 4.217 4.527 0.000 0.000 0.297 215 F C 2.209 178.068 175.800 0.099 0.000 1.118 215 F CA 1.816 59.872 58.000 0.093 0.000 1.202 215 F CB -0.407 38.681 39.000 0.147 0.000 0.965 215 F HN -0.086 nan 8.300 nan 0.000 0.482 216 L N 0.695 122.180 121.223 0.436 0.000 2.261 216 L HA -0.219 4.121 4.340 0.000 0.000 0.216 216 L C 2.256 179.189 176.870 0.104 0.000 1.114 216 L CA 1.494 56.522 54.840 0.312 0.000 0.777 216 L CB -1.127 41.136 42.059 0.339 0.000 0.910 216 L HN 0.097 nan 8.230 nan 0.000 0.440 217 K N -1.069 119.364 120.400 0.056 0.000 2.097 217 K HA -0.060 4.260 4.320 0.000 0.000 0.206 217 K C 1.830 178.410 176.600 -0.034 0.000 1.049 217 K CA 1.672 57.965 56.287 0.011 0.000 0.933 217 K CB -0.320 32.181 32.500 0.001 0.000 0.717 217 K HN 0.393 nan 8.250 nan 0.000 0.442 218 T N 0.838 115.333 114.554 -0.098 0.000 3.053 218 T HA 0.072 4.423 4.350 0.000 0.000 0.236 218 T C 0.767 175.361 174.700 -0.177 0.000 0.996 218 T CA -0.033 61.986 62.100 -0.135 0.000 1.185 218 T CB 0.052 68.822 68.868 -0.165 0.000 0.892 218 T HN 0.135 nan 8.240 nan 0.000 0.432 219 N N 2.241 120.744 118.700 -0.329 0.000 2.482 219 N HA 0.232 4.972 4.740 0.000 0.000 0.279 219 N C -0.719 174.707 175.510 -0.140 0.000 1.182 219 N CA -0.430 52.426 53.050 -0.323 0.000 0.969 219 N CB 0.989 39.115 38.487 -0.602 0.000 1.201 219 N HN 0.286 nan 8.380 nan 0.000 0.523 220 N N 0.473 119.136 118.700 -0.062 0.000 2.493 220 N HA 0.059 4.799 4.740 0.000 0.000 0.275 220 N C 1.291 176.837 175.510 0.062 0.000 1.186 220 N CA -0.724 52.332 53.050 0.009 0.000 0.978 220 N CB 1.185 39.615 38.487 -0.094 0.000 1.184 220 N HN 0.670 nan 8.380 nan 0.000 0.487 221 W N 2.377 123.615 121.300 -0.102 0.000 2.392 221 W HA -0.124 4.536 4.660 0.000 0.000 0.279 221 W C 0.664 176.959 176.519 -0.373 0.000 1.225 221 W CA 0.513 57.525 57.345 -0.554 0.000 1.233 221 W CB -1.005 27.891 29.460 -0.939 0.000 1.122 221 W HN 0.570 nan 8.180 nan 0.000 0.561 222 H N 1.969 120.378 119.070 -1.101 0.000 2.787 222 H HA 0.341 4.897 4.556 0.000 0.000 0.302 222 H C 1.459 176.580 175.328 -0.346 0.000 1.098 222 H CA 0.354 55.796 56.048 -1.010 0.000 1.192 222 H CB -0.593 28.451 29.762 -1.197 0.000 1.316 222 H HN 0.155 nan 8.280 nan 0.000 0.590 223 A N -0.211 122.625 122.820 0.027 0.000 3.289 223 A HA 0.111 4.431 4.320 0.000 0.000 0.157 223 A C 2.060 179.739 177.584 0.158 0.000 1.293 223 A CA 0.545 52.657 52.037 0.124 0.000 0.896 223 A CB -1.140 18.047 19.000 0.312 0.000 0.998 223 A HN 0.466 nan 8.150 nan 0.000 0.519 224 G N -1.281 107.624 108.800 0.174 0.000 3.375 224 G HA2 0.055 4.015 3.960 0.000 0.000 0.247 224 G HA3 0.055 4.015 3.960 0.000 0.000 0.247 224 G C 0.807 175.775 174.900 0.114 0.000 1.343 224 G CA 0.147 45.317 45.100 0.116 0.000 1.368 224 G HN 0.600 nan 8.290 nan 0.000 0.549 225 W N 0.911 122.192 121.300 -0.032 0.000 2.335 225 W HA -0.112 4.549 4.660 0.000 0.000 0.311 225 W C 0.849 177.320 176.519 -0.079 0.000 1.213 225 W CA 0.909 58.205 57.345 -0.082 0.000 1.274 225 W CB 0.052 29.392 29.460 -0.200 0.000 1.148 225 W HN 0.254 nan 8.180 nan 0.000 0.498 226 N N 0.222 118.984 118.700 0.103 0.000 2.501 226 N HA -0.078 4.662 4.740 0.000 0.000 0.195 226 N C 1.163 176.621 175.510 -0.087 0.000 1.213 226 N CA 1.568 54.608 53.050 -0.015 0.000 0.864 226 N CB -0.038 38.516 38.487 0.113 0.000 0.999 226 N HN 0.260 nan 8.380 nan 0.000 0.454 227 T N -3.378 111.110 114.554 -0.110 0.000 3.043 227 T HA 0.254 4.604 4.350 0.000 0.000 0.272 227 T C 0.425 175.023 174.700 -0.170 0.000 0.990 227 T CA -0.276 61.763 62.100 -0.101 0.000 0.897 227 T CB 0.138 68.982 68.868 -0.040 0.000 1.111 227 T HN -0.057 nan 8.240 nan 0.000 0.529 228 L N 4.022 125.070 121.223 -0.291 0.000 2.261 228 L HA 0.447 4.787 4.340 0.000 0.000 0.289 228 L C 0.426 177.019 176.870 -0.463 0.000 1.059 228 L CA -0.734 53.882 54.840 -0.373 0.000 0.816 228 L CB 1.042 42.805 42.059 -0.494 0.000 1.191 228 L HN 0.426 nan 8.230 nan 0.000 0.431 229 S N 3.211 118.719 115.700 -0.319 0.000 2.568 229 S HA 0.230 4.700 4.470 0.000 0.000 0.282 229 S C 0.040 174.472 174.600 -0.280 0.000 1.338 229 S CA -0.649 57.405 58.200 -0.243 0.000 1.045 229 S CB 0.412 63.526 63.200 -0.144 0.000 0.873 229 S HN 0.263 nan 8.310 nan 0.000 0.516 230 F N 0.442 120.305 119.950 -0.145 0.000 2.587 230 F HA 0.138 4.666 4.527 0.000 0.000 0.327 230 F C 1.508 177.291 175.800 -0.029 0.000 1.232 230 F CA -0.348 57.592 58.000 -0.099 0.000 1.353 230 F CB 0.213 39.190 39.000 -0.039 0.000 1.156 230 F HN 0.733 nan 8.300 nan 0.000 0.599 231 C N 3.901 123.372 119.300 0.286 0.000 2.464 231 C HA 0.390 4.850 4.460 0.000 0.000 0.370 231 C C -0.133 175.031 174.990 0.290 0.000 1.267 231 C CA -0.749 58.468 59.018 0.332 0.000 1.781 231 C CB -2.205 25.762 27.740 0.378 0.000 2.431 231 C HN 0.828 nan 8.230 nan 0.000 0.556 232 N N 2.776 121.638 118.700 0.271 0.000 2.531 232 N HA 0.464 5.204 4.740 0.000 0.000 0.290 232 N C 0.038 175.637 175.510 0.149 0.000 1.257 232 N CA -0.720 52.436 53.050 0.176 0.000 0.863 232 N CB 0.628 39.194 38.487 0.132 0.000 1.320 232 N HN 0.461 nan 8.380 nan 0.000 0.538 233 D N -0.738 119.708 120.400 0.077 0.000 2.219 233 D HA -0.082 4.558 4.640 0.000 0.000 0.205 233 D C 1.495 177.823 176.300 0.047 0.000 0.970 233 D CA 0.799 54.818 54.000 0.031 0.000 0.851 233 D CB -0.020 40.784 40.800 0.007 0.000 0.943 233 D HN 0.321 nan 8.370 nan 0.000 0.488 234 V N 0.468 120.432 119.914 0.083 0.000 2.358 234 V HA -0.226 3.894 4.120 0.000 0.000 0.246 234 V C 1.948 178.134 176.094 0.153 0.000 1.047 234 V CA 1.336 63.690 62.300 0.089 0.000 1.035 234 V CB -0.654 31.218 31.823 0.081 0.000 0.658 234 V HN 0.273 nan 8.190 nan 0.000 0.452 235 F N 1.202 121.151 119.950 -0.001 0.000 2.046 235 F HA -0.250 4.277 4.527 0.000 0.000 0.297 235 F C 2.620 178.411 175.800 -0.013 0.000 1.123 235 F CA 1.847 59.845 58.000 -0.003 0.000 1.199 235 F CB -0.059 38.946 39.000 0.009 0.000 0.972 235 F HN 0.016 nan 8.300 nan 0.000 0.474 236 K N -0.159 120.173 120.400 -0.113 0.000 2.113 236 K HA -0.245 4.075 4.320 0.000 0.000 0.208 236 K C 2.004 178.506 176.600 -0.164 0.000 1.047 236 K CA 1.496 57.628 56.287 -0.258 0.000 0.928 236 K CB -0.311 32.080 32.500 -0.183 0.000 0.716 236 K HN 0.372 nan 8.250 nan 0.000 0.446 237 Q N 1.127 120.888 119.800 -0.067 0.000 2.061 237 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 237 Q C 1.944 177.921 176.000 -0.040 0.000 0.984 237 Q CA 1.572 57.350 55.803 -0.042 0.000 0.846 237 Q CB -0.145 28.589 28.738 -0.007 0.000 0.902 237 Q HN 0.348 nan 8.270 nan 0.000 0.421 238 K N 0.388 120.784 120.400 -0.008 0.000 2.057 238 K HA -0.071 4.249 4.320 0.000 0.000 0.207 238 K C 2.247 178.818 176.600 -0.049 0.000 1.049 238 K CA 0.863 57.154 56.287 0.006 0.000 0.931 238 K CB -0.242 32.309 32.500 0.085 0.000 0.714 238 K HN 0.151 nan 8.250 nan 0.000 0.440 239 L N 1.007 122.151 121.223 -0.133 0.000 2.261 239 L HA -0.221 4.119 4.340 0.000 0.000 0.216 239 L C 1.986 178.768 176.870 -0.146 0.000 1.114 239 L CA 1.226 55.955 54.840 -0.186 0.000 0.777 239 L CB -0.293 41.553 42.059 -0.356 0.000 0.910 239 L HN 0.277 nan 8.230 nan 0.000 0.440 240 Q N -1.006 118.724 119.800 -0.117 0.000 2.356 240 Q HA -0.001 4.339 4.340 0.000 0.000 0.205 240 Q C 1.524 177.484 176.000 -0.065 0.000 0.901 240 Q CA 0.343 56.092 55.803 -0.091 0.000 0.938 240 Q CB 0.535 29.228 28.738 -0.074 0.000 1.081 240 Q HN 0.459 nan 8.270 nan 0.000 0.517 241 K N -0.755 119.612 120.400 -0.055 0.000 2.410 241 K HA 0.077 4.397 4.320 0.000 0.000 0.204 241 K C 1.814 178.394 176.600 -0.034 0.000 1.268 241 K CA 0.935 57.199 56.287 -0.039 0.000 0.896 241 K CB 0.472 32.957 32.500 -0.026 0.000 1.401 241 K HN -0.002 nan 8.250 nan 0.000 0.479 242 S N 0.980 116.665 115.700 -0.026 0.000 2.535 242 S HA 0.017 4.488 4.470 0.000 0.000 0.214 242 S C 0.540 175.130 174.600 -0.017 0.000 0.980 242 S CA 0.089 58.280 58.200 -0.016 0.000 0.907 242 S CB 0.179 63.379 63.200 -0.001 0.000 0.790 242 S HN 0.371 nan 8.310 nan 0.000 0.510 243 E N 0.367 120.549 120.200 -0.030 0.000 2.389 243 E HA -0.301 4.050 4.350 0.000 0.000 0.243 243 E C 0.856 177.452 176.600 -0.006 0.000 1.154 243 E CA 0.405 56.789 56.400 -0.027 0.000 0.723 243 E CB -2.236 27.449 29.700 -0.025 0.000 1.261 243 E HN 0.843 nan 8.360 nan 0.000 0.390 244 C N -0.293 119.010 119.300 0.006 0.000 3.617 244 C HA -0.053 4.407 4.460 0.000 0.000 0.295 244 C C 1.568 176.577 174.990 0.032 0.000 1.224 244 C CA 0.213 59.247 59.018 0.027 0.000 1.817 244 C CB -1.115 26.655 27.740 0.051 0.000 2.043 244 C HN 0.602 nan 8.230 nan 0.000 0.427 245 I N 2.836 123.437 120.570 0.050 0.000 2.815 245 I HA -0.170 4.000 4.170 0.000 0.000 0.154 245 I C 0.339 176.477 176.117 0.036 0.000 0.904 245 I CA 1.300 62.631 61.300 0.052 0.000 2.718 245 I CB -1.570 36.456 38.000 0.045 0.000 0.629 245 I HN 0.638 nan 8.210 nan 0.000 0.355 246 K N 6.201 126.623 120.400 0.037 0.000 2.159 246 K HA 0.458 4.778 4.320 0.000 0.000 0.266 246 K C 0.027 176.649 176.600 0.037 0.000 0.975 246 K CA -0.995 55.311 56.287 0.032 0.000 0.865 246 K CB 2.007 34.524 32.500 0.029 0.000 1.087 246 K HN 0.412 nan 8.250 nan 0.000 0.446 247 L N 5.093 126.337 121.223 0.034 0.000 2.462 247 L HA 0.091 4.431 4.340 0.000 0.000 0.272 247 L C -0.279 176.615 176.870 0.039 0.000 1.166 247 L CA 0.309 55.172 54.840 0.038 0.000 0.880 247 L CB 0.014 42.093 42.059 0.034 0.000 1.142 247 L HN 0.658 nan 8.230 nan 0.000 0.473 248 R N 3.026 123.553 120.500 0.046 0.000 2.673 248 R HA 0.356 4.696 4.340 0.000 0.000 0.281 248 R C 0.178 176.506 176.300 0.047 0.000 0.991 248 R CA -0.975 55.152 56.100 0.045 0.000 0.896 248 R CB 1.260 31.588 30.300 0.047 0.000 1.201 248 R HN 0.445 nan 8.270 nan 0.000 0.457 249 E N 1.089 121.312 120.200 0.038 0.000 2.119 249 E HA -0.187 4.163 4.350 0.000 0.000 0.221 249 E C 0.386 177.007 176.600 0.036 0.000 1.062 249 E CA 1.726 58.145 56.400 0.032 0.000 0.894 249 E CB -0.116 29.599 29.700 0.026 0.000 0.785 249 E HN 0.382 nan 8.360 nan 0.000 0.472 250 V N 3.860 123.799 119.914 0.041 0.000 2.304 250 V HA 0.176 4.296 4.120 0.000 0.000 0.278 250 V C -2.088 174.056 176.094 0.083 0.000 1.018 250 V CA -1.347 60.980 62.300 0.046 0.000 0.814 250 V CB 1.473 33.311 31.823 0.025 0.000 1.021 250 V HN 0.118 nan 8.190 nan 0.000 0.440 251 P HA 0.327 nan 4.420 nan 0.000 0.271 251 P C -0.009 177.492 177.300 0.336 0.000 1.218 251 P CA 0.196 63.421 63.100 0.209 0.000 0.780 251 P CB 1.676 33.524 31.700 0.246 0.000 0.901 252 G N 1.684 110.665 108.800 0.301 0.000 2.473 252 G HA2 0.297 4.257 3.960 0.000 0.000 0.321 252 G HA3 0.297 4.257 3.960 0.000 0.000 0.321 252 G C 0.896 175.941 174.900 0.241 0.000 1.200 252 G CA -0.707 44.607 45.100 0.356 0.000 0.963 252 G HN 0.408 nan 8.290 nan 0.000 0.483 253 I N 0.645 121.356 120.570 0.235 0.000 2.182 253 I HA -0.191 3.980 4.170 0.000 0.000 0.248 253 I C 2.632 178.673 176.117 -0.127 0.000 1.073 253 I CA 1.808 62.977 61.300 -0.219 0.000 1.335 253 I CB -0.291 37.707 38.000 -0.003 0.000 1.031 253 I HN 0.754 nan 8.210 nan 0.000 0.420 254 E N -0.526 119.648 120.200 -0.043 0.000 2.511 254 E HA -0.138 4.212 4.350 0.000 0.000 0.196 254 E C 0.633 177.218 176.600 -0.026 0.000 1.066 254 E CA 0.621 56.982 56.400 -0.064 0.000 0.871 254 E CB -0.357 29.291 29.700 -0.086 0.000 0.863 254 E HN 0.526 nan 8.360 nan 0.000 0.520 255 D N 1.596 121.996 120.400 0.001 0.000 2.369 255 D HA 0.017 4.658 4.640 0.000 0.000 0.211 255 D C 1.001 177.315 176.300 0.024 0.000 1.077 255 D CA 0.496 54.517 54.000 0.033 0.000 0.842 255 D CB 0.685 41.522 40.800 0.062 0.000 0.947 255 D HN 0.325 nan 8.370 nan 0.000 0.509 256 T N -2.355 112.187 114.554 -0.020 0.000 2.920 256 T HA 0.346 4.696 4.350 0.000 0.000 0.292 256 T C 1.433 176.107 174.700 -0.043 0.000 1.093 256 T CA -0.544 61.531 62.100 -0.042 0.000 0.944 256 T CB 0.588 69.398 68.868 -0.096 0.000 1.605 256 T HN -0.139 nan 8.240 nan 0.000 0.590 257 L N -1.052 120.078 121.223 -0.156 0.000 2.477 257 L HA 0.272 4.612 4.340 0.000 0.000 0.220 257 L C 2.118 178.871 176.870 -0.195 0.000 1.106 257 L CA 0.229 54.940 54.840 -0.215 0.000 0.851 257 L CB -0.308 41.536 42.059 -0.357 0.000 0.994 257 L HN 0.504 nan 8.230 nan 0.000 0.462 258 F N 0.556 120.511 119.950 0.008 0.000 2.365 258 F HA -0.127 4.401 4.527 0.000 0.000 0.300 258 F C 2.499 178.358 175.800 0.097 0.000 1.090 258 F CA 0.942 59.017 58.000 0.126 0.000 1.408 258 F CB -0.636 38.460 39.000 0.161 0.000 1.060 258 F HN 0.035 nan 8.300 nan 0.000 0.534 259 A N -0.578 122.338 122.820 0.160 0.000 2.015 259 A HA -0.059 4.261 4.320 0.000 0.000 0.219 259 A C 2.186 179.892 177.584 0.203 0.000 1.163 259 A CA 1.592 53.677 52.037 0.080 0.000 0.646 259 A CB -0.804 18.227 19.000 0.053 0.000 0.806 259 A HN 0.195 nan 8.150 nan 0.000 0.448 260 V N -0.675 119.363 119.914 0.206 0.000 3.590 260 V HA 0.075 4.196 4.120 0.000 0.000 0.265 260 V C 1.925 178.078 176.094 0.099 0.000 1.239 260 V CA 0.692 63.109 62.300 0.195 0.000 1.117 260 V CB -0.081 31.788 31.823 0.077 0.000 0.818 260 V HN 0.528 nan 8.190 nan 0.000 0.451 261 L N -0.194 121.103 121.223 0.123 0.000 2.529 261 L HA 0.164 4.504 4.340 0.000 0.000 0.223 261 L C 1.322 178.380 176.870 0.313 0.000 1.113 261 L CA 0.156 55.089 54.840 0.156 0.000 0.861 261 L CB -0.007 42.161 42.059 0.183 0.000 1.012 261 L HN 0.114 nan 8.230 nan 0.000 0.461 262 K N 2.261 122.792 120.400 0.217 0.000 2.054 262 K HA 0.213 4.533 4.320 0.000 0.000 0.242 262 K C -0.891 175.841 176.600 0.221 0.000 1.157 262 K CA 0.443 56.717 56.287 -0.021 0.000 1.079 262 K CB -0.660 31.416 32.500 -0.707 0.000 1.331 262 K HN 0.107 nan 8.250 nan 0.000 0.317 263 L N 5.744 127.174 121.223 0.345 0.000 2.346 263 L HA 0.399 4.739 4.340 0.000 0.000 0.276 263 L C -1.648 175.431 176.870 0.349 0.000 1.006 263 L CA -2.640 52.393 54.840 0.322 0.000 0.817 263 L CB 1.942 44.069 42.059 0.113 0.000 1.272 263 L HN 0.324 nan 8.230 nan 0.000 0.421 264 P HA -0.176 nan 4.420 nan 0.000 0.217 264 P C 0.711 178.070 177.300 0.098 0.000 1.148 264 P CA 1.166 64.269 63.100 0.005 0.000 0.828 264 P CB 0.325 31.935 31.700 -0.151 0.000 0.783 265 E N -1.225 119.041 120.200 0.110 0.000 2.409 265 E HA -0.051 4.299 4.350 0.000 0.000 0.198 265 E C 1.452 178.166 176.600 0.189 0.000 1.024 265 E CA 0.712 57.179 56.400 0.113 0.000 0.861 265 E CB -0.575 29.166 29.700 0.068 0.000 0.788 265 E HN 0.307 nan 8.360 nan 0.000 0.521 266 L N -0.852 120.518 121.223 0.245 0.000 2.731 266 L HA 0.231 4.572 4.340 0.000 0.000 0.240 266 L C 0.168 177.316 176.870 0.464 0.000 1.120 266 L CA -0.307 54.776 54.840 0.405 0.000 0.913 266 L CB 0.536 42.767 42.059 0.287 0.000 1.213 266 L HN 0.099 nan 8.230 nan 0.000 0.515 267 C N -0.205 119.306 119.300 0.352 0.000 2.401 267 C HA 0.767 5.228 4.460 0.000 0.000 0.356 267 C C 1.211 176.308 174.990 0.178 0.000 1.192 267 C CA -0.894 58.314 59.018 0.317 0.000 2.028 267 C CB 1.105 29.102 27.740 0.430 0.000 2.344 267 C HN 0.423 nan 8.230 nan 0.000 0.525 268 G N -0.409 108.462 108.800 0.118 0.000 2.583 268 G HA2 0.340 4.300 3.960 0.000 0.000 0.280 268 G HA3 0.340 4.300 3.960 0.000 0.000 0.280 268 G C 0.691 175.582 174.900 -0.014 0.000 1.376 268 G CA -0.013 45.086 45.100 -0.002 0.000 1.043 268 G HN 0.858 nan 8.290 nan 0.000 0.538 269 E N -0.806 119.314 120.200 -0.133 0.000 2.035 269 E HA -0.194 4.156 4.350 0.000 0.000 0.204 269 E C 2.020 178.701 176.600 0.136 0.000 1.025 269 E CA 1.521 57.879 56.400 -0.070 0.000 0.835 269 E CB -0.296 29.275 29.700 -0.215 0.000 0.764 269 E HN 0.538 nan 8.360 nan 0.000 0.457 270 F N -0.433 119.558 119.950 0.069 0.000 2.494 270 F HA 0.022 4.549 4.527 0.000 0.000 0.298 270 F C 1.571 177.449 175.800 0.131 0.000 1.106 270 F CA 0.107 58.158 58.000 0.085 0.000 1.452 270 F CB 0.077 39.126 39.000 0.082 0.000 1.085 270 F HN 0.385 nan 8.300 nan 0.000 0.569 271 G N 0.854 109.837 108.800 0.305 0.000 2.140 271 G HA2 -0.237 3.723 3.960 0.000 0.000 0.211 271 G HA3 -0.237 3.723 3.960 0.000 0.000 0.211 271 G C -0.522 174.629 174.900 0.418 0.000 1.013 271 G CA -0.620 44.697 45.100 0.363 0.000 0.705 271 G HN 0.290 nan 8.290 nan 0.000 0.508 272 N N -0.064 118.841 118.700 0.341 0.000 2.405 272 N HA 0.443 5.183 4.740 0.000 0.000 0.299 272 N C 0.273 175.980 175.510 0.329 0.000 1.075 272 N CA -0.606 52.651 53.050 0.346 0.000 0.884 272 N CB 1.914 40.560 38.487 0.266 0.000 1.194 272 N HN 0.392 nan 8.380 nan 0.000 0.491 273 I N 2.813 123.614 120.570 0.386 0.000 2.587 273 I HA -0.022 4.148 4.170 0.000 0.000 0.284 273 I C -0.233 175.989 176.117 0.174 0.000 1.134 273 I CA -0.462 61.039 61.300 0.335 0.000 1.410 273 I CB 0.308 38.478 38.000 0.282 0.000 1.392 273 I HN 0.300 nan 8.210 nan 0.000 0.545 274 L N 10.465 131.764 121.223 0.127 0.000 2.543 274 L HA -0.001 4.339 4.340 0.000 0.000 0.285 274 L C -1.438 175.296 176.870 -0.226 0.000 1.236 274 L CA -0.156 54.621 54.840 -0.106 0.000 0.871 274 L CB -0.414 41.469 42.059 -0.292 0.000 1.121 274 L HN 0.552 nan 8.230 nan 0.000 0.501 275 P HA -0.282 nan 4.420 nan 0.000 0.212 275 P C 1.795 178.671 177.300 -0.706 0.000 1.128 275 P CA 1.622 64.461 63.100 -0.435 0.000 0.961 275 P CB 0.061 31.476 31.700 -0.474 0.000 0.782 276 L N -2.524 118.178 121.223 -0.867 0.000 1.997 276 L HA -0.223 4.117 4.340 0.000 0.000 0.216 276 L C 2.665 179.318 176.870 -0.361 0.000 1.074 276 L CA 1.955 56.310 54.840 -0.807 0.000 0.763 276 L CB -1.176 40.393 42.059 -0.817 0.000 0.890 276 L HN 0.156 nan 8.230 nan 0.000 0.434 277 W N -0.514 120.547 121.300 -0.398 0.000 2.341 277 W HA -0.266 4.394 4.660 0.000 0.000 0.283 277 W C 2.597 178.660 176.519 -0.761 0.000 1.215 277 W CA -0.037 56.939 57.345 -0.616 0.000 1.211 277 W CB -0.363 28.955 29.460 -0.237 0.000 1.131 277 W HN 0.244 nan 8.180 nan 0.000 0.552 278 A N 0.356 123.057 122.820 -0.198 0.000 1.832 278 A HA -0.192 4.128 4.320 0.000 0.000 0.214 278 A C 1.479 179.034 177.584 -0.048 0.000 1.200 278 A CA 1.473 53.440 52.037 -0.118 0.000 0.610 278 A CB -1.474 17.629 19.000 0.172 0.000 0.842 278 A HN 0.324 nan 8.150 nan 0.000 0.444 279 W N 0.078 121.287 121.300 -0.152 0.000 2.292 279 W HA -0.173 4.488 4.660 0.000 0.000 0.304 279 W C 2.493 178.883 176.519 -0.215 0.000 1.228 279 W CA 0.826 58.102 57.345 -0.115 0.000 1.241 279 W CB -1.552 27.865 29.460 -0.072 0.000 1.142 279 W HN 0.400 nan 8.180 nan 0.000 0.520 280 G N -0.308 108.375 108.800 -0.194 0.000 2.433 280 G HA2 -0.270 3.691 3.960 0.000 0.000 0.216 280 G HA3 -0.270 3.691 3.960 0.000 0.000 0.216 280 G C 1.523 176.176 174.900 -0.412 0.000 1.186 280 G CA 1.591 46.421 45.100 -0.450 0.000 0.779 280 G HN 0.009 nan 8.290 nan 0.000 0.543 281 M N 0.312 119.484 119.600 -0.714 0.000 2.108 281 M HA -0.123 4.358 4.480 0.000 0.000 0.257 281 M C 2.301 178.345 176.300 -0.426 0.000 1.071 281 M CA 1.509 56.392 55.300 -0.696 0.000 1.093 281 M CB -0.972 30.586 32.600 -1.736 0.000 1.345 281 M HN 0.234 nan 8.290 nan 0.000 0.403 282 E N 0.674 120.721 120.200 -0.256 0.000 2.033 282 E HA -0.169 4.181 4.350 0.000 0.000 0.199 282 E C 2.012 178.636 176.600 0.040 0.000 1.011 282 E CA 2.765 59.178 56.400 0.021 0.000 0.815 282 E CB -0.400 29.357 29.700 0.095 0.000 0.755 282 E HN 0.656 nan 8.360 nan 0.000 0.451 283 T N -0.556 114.017 114.554 0.032 0.000 2.746 283 T HA -0.193 4.157 4.350 0.000 0.000 0.267 283 T C 2.064 176.802 174.700 0.063 0.000 1.039 283 T CA 1.436 63.570 62.100 0.058 0.000 1.142 283 T CB -0.634 68.279 68.868 0.076 0.000 0.866 283 T HN 0.265 nan 8.240 nan 0.000 0.444 284 L N 0.794 122.053 121.223 0.061 0.000 2.079 284 L HA -0.113 4.227 4.340 0.000 0.000 0.210 284 L C 2.548 179.455 176.870 0.061 0.000 1.081 284 L CA 1.746 56.617 54.840 0.052 0.000 0.752 284 L CB -0.540 41.553 42.059 0.057 0.000 0.896 284 L HN 0.278 nan 8.230 nan 0.000 0.433 285 S N 0.361 116.129 115.700 0.114 0.000 2.345 285 S HA -0.169 4.301 4.470 0.000 0.000 0.220 285 S C 1.643 176.326 174.600 0.138 0.000 1.031 285 S CA 1.443 59.766 58.200 0.204 0.000 0.996 285 S CB -0.570 62.805 63.200 0.292 0.000 0.882 285 S HN 0.502 nan 8.310 nan 0.000 0.445 286 N N 0.965 119.731 118.700 0.110 0.000 2.069 286 N HA -0.177 4.563 4.740 0.000 0.000 0.196 286 N C 1.927 177.479 175.510 0.071 0.000 1.024 286 N CA 1.428 54.529 53.050 0.086 0.000 0.869 286 N CB -1.062 37.467 38.487 0.070 0.000 1.035 286 N HN 0.540 nan 8.380 nan 0.000 0.434 287 C N -0.013 119.322 119.300 0.059 0.000 2.548 287 C HA 0.007 4.468 4.460 0.000 0.000 0.284 287 C C 2.573 177.573 174.990 0.016 0.000 1.252 287 C CA 0.364 59.405 59.018 0.038 0.000 1.725 287 C CB -1.222 26.529 27.740 0.019 0.000 2.098 287 C HN 0.380 nan 8.230 nan 0.000 0.471 288 L N 1.443 122.668 121.223 0.004 0.000 2.089 288 L HA -0.135 4.205 4.340 0.000 0.000 0.213 288 L C 2.794 179.679 176.870 0.025 0.000 1.079 288 L CA 2.266 57.099 54.840 -0.012 0.000 0.758 288 L CB -1.142 40.913 42.059 -0.005 0.000 0.891 288 L HN 0.490 nan 8.230 nan 0.000 0.433 289 R N -1.179 119.361 120.500 0.066 0.000 2.120 289 R HA -0.129 4.211 4.340 0.000 0.000 0.234 289 R C 2.255 178.582 176.300 0.046 0.000 1.123 289 R CA 1.454 57.598 56.100 0.073 0.000 0.975 289 R CB -0.072 30.287 30.300 0.097 0.000 0.866 289 R HN 0.315 nan 8.270 nan 0.000 0.446 290 S N 0.504 116.230 115.700 0.044 0.000 2.399 290 S HA -0.072 4.398 4.470 0.000 0.000 0.231 290 S C 0.832 175.453 174.600 0.034 0.000 1.022 290 S CA 0.842 59.069 58.200 0.046 0.000 0.983 290 S CB -0.122 63.115 63.200 0.062 0.000 0.803 290 S HN 0.297 nan 8.310 nan 0.000 0.480 291 M N 1.900 121.507 119.600 0.013 0.000 2.252 291 M HA 0.051 4.532 4.480 0.000 0.000 0.333 291 M C -0.309 175.969 176.300 -0.038 0.000 1.111 291 M CA 0.359 55.656 55.300 -0.005 0.000 1.140 291 M CB 0.265 32.834 32.600 -0.051 0.000 1.538 291 M HN -0.064 nan 8.290 nan 0.000 0.448 292 S N 4.315 119.984 115.700 -0.050 0.000 2.474 292 S HA 0.375 4.845 4.470 0.000 0.000 0.320 292 S C -2.305 172.072 174.600 -0.371 0.000 1.067 292 S CA -1.266 56.821 58.200 -0.189 0.000 1.127 292 S CB 0.245 63.395 63.200 -0.084 0.000 0.971 292 S HN 0.424 nan 8.310 nan 0.000 0.472 293 P HA 0.384 nan 4.420 nan 0.000 0.276 293 P C -1.083 175.826 177.300 -0.652 0.000 1.235 293 P CA -0.228 62.656 63.100 -0.360 0.000 0.772 293 P CB 0.305 31.894 31.700 -0.184 0.000 0.871 294 F N 1.140 121.100 119.950 0.017 0.000 2.591 294 F HA 0.352 4.880 4.527 0.000 0.000 0.309 294 F C -0.166 175.631 175.800 -0.005 0.000 1.098 294 F CA -1.151 56.851 58.000 0.003 0.000 0.937 294 F CB 2.338 41.334 39.000 -0.007 0.000 1.250 294 F HN -0.020 nan 8.300 nan 0.000 0.447 295 V N 4.189 124.222 119.914 0.198 0.000 2.448 295 V HA 0.490 4.610 4.120 0.000 0.000 0.295 295 V C -0.851 175.282 176.094 0.065 0.000 1.025 295 V CA -0.710 61.645 62.300 0.092 0.000 0.859 295 V CB 2.000 33.860 31.823 0.060 0.000 0.988 295 V HN 0.612 nan 8.190 nan 0.000 0.431 296 L N 4.407 125.644 121.223 0.023 0.000 2.381 296 L HA 0.633 4.973 4.340 0.000 0.000 0.274 296 L C 0.011 176.875 176.870 -0.011 0.000 0.988 296 L CA -0.128 54.710 54.840 -0.003 0.000 0.824 296 L CB 2.085 44.126 42.059 -0.031 0.000 1.263 296 L HN 0.672 nan 8.230 nan 0.000 0.410 297 S N 4.918 120.618 115.700 -0.001 0.000 2.489 297 S HA 0.400 4.870 4.470 0.000 0.000 0.277 297 S C 0.475 175.077 174.600 0.003 0.000 1.230 297 S CA -0.583 57.617 58.200 0.000 0.000 1.053 297 S CB 0.601 63.809 63.200 0.014 0.000 0.955 297 S HN 0.724 nan 8.310 nan 0.000 0.488 298 L N 3.722 124.938 121.223 -0.012 0.000 2.791 298 L HA 0.336 4.676 4.340 0.000 0.000 0.239 298 L C 0.665 177.533 176.870 -0.004 0.000 1.203 298 L CA -0.006 54.829 54.840 -0.009 0.000 1.002 298 L CB -0.078 41.962 42.059 -0.031 0.000 1.295 298 L HN 0.596 nan 8.230 nan 0.000 0.504 299 E N 2.756 122.960 120.200 0.007 0.000 2.110 299 E HA 0.151 4.502 4.350 0.000 0.000 0.300 299 E C -0.236 176.376 176.600 0.020 0.000 1.278 299 E CA -0.028 56.378 56.400 0.010 0.000 1.365 299 E CB -0.030 29.678 29.700 0.013 0.000 1.283 299 E HN 0.498 nan 8.360 nan 0.000 0.490 300 Q N -0.760 119.044 119.800 0.008 0.000 3.104 300 Q HA 0.097 4.437 4.340 0.000 0.000 0.331 300 Q C -0.977 174.995 176.000 -0.047 0.000 0.844 300 Q CA -0.945 54.850 55.803 -0.014 0.000 0.870 300 Q CB -0.584 28.180 28.738 0.043 0.000 1.484 300 Q HN 0.172 nan 8.270 nan 0.000 0.489 301 T N -1.930 112.543 114.554 -0.135 0.000 2.928 301 T HA 0.194 4.544 4.350 0.000 0.000 0.305 301 T C -1.919 172.756 174.700 -0.042 0.000 1.035 301 T CA -0.444 61.581 62.100 -0.126 0.000 1.145 301 T CB 0.298 69.030 68.868 -0.227 0.000 0.963 301 T HN 0.386 nan 8.240 nan 0.000 0.545 302 P HA -0.175 nan 4.420 nan 0.000 0.217 302 P C 1.625 178.970 177.300 0.074 0.000 1.148 302 P CA 1.062 64.173 63.100 0.018 0.000 0.834 302 P CB 0.056 31.745 31.700 -0.019 0.000 0.783 303 Q N -1.655 118.183 119.800 0.063 0.000 2.030 303 Q HA -0.203 4.137 4.340 0.000 0.000 0.204 303 Q C 2.168 178.371 176.000 0.339 0.000 0.986 303 Q CA 1.720 57.632 55.803 0.181 0.000 0.843 303 Q CB -1.028 27.808 28.738 0.165 0.000 0.904 303 Q HN 0.528 nan 8.270 nan 0.000 0.420 304 H N -0.850 118.290 119.070 0.116 0.000 2.293 304 H HA -0.114 4.442 4.556 0.000 0.000 0.300 304 H C 1.961 177.349 175.328 0.100 0.000 1.082 304 H CA 0.481 56.592 56.048 0.104 0.000 1.308 304 H CB -0.057 29.743 29.762 0.064 0.000 1.375 304 H HN 0.369 nan 8.280 nan 0.000 0.495 305 A N 1.483 124.431 122.820 0.213 0.000 1.896 305 A HA -0.301 4.019 4.320 0.000 0.000 0.220 305 A C 2.602 180.252 177.584 0.110 0.000 1.206 305 A CA 2.183 54.289 52.037 0.116 0.000 0.647 305 A CB -1.117 17.927 19.000 0.074 0.000 0.828 305 A HN 0.518 nan 8.150 nan 0.000 0.455 306 A N -1.414 121.533 122.820 0.212 0.000 1.898 306 A HA -0.169 4.151 4.320 0.000 0.000 0.216 306 A C 2.204 180.031 177.584 0.405 0.000 1.181 306 A CA 1.785 54.031 52.037 0.349 0.000 0.620 306 A CB -0.568 18.821 19.000 0.648 0.000 0.819 306 A HN 0.694 nan 8.150 nan 0.000 0.442 307 Q N -0.369 119.655 119.800 0.372 0.000 2.084 307 Q HA -0.251 4.089 4.340 0.000 0.000 0.202 307 Q C 2.064 178.118 176.000 0.091 0.000 0.978 307 Q CA 1.946 57.903 55.803 0.257 0.000 0.844 307 Q CB -0.179 28.677 28.738 0.196 0.000 0.898 307 Q HN 0.801 nan 8.270 nan 0.000 0.426 308 E N -0.106 120.128 120.200 0.056 0.000 2.038 308 E HA -0.237 4.113 4.350 0.000 0.000 0.195 308 E C 2.047 178.607 176.600 -0.066 0.000 1.000 308 E CA 1.241 57.633 56.400 -0.013 0.000 0.803 308 E CB -0.218 29.479 29.700 -0.004 0.000 0.750 308 E HN 0.370 nan 8.360 nan 0.000 0.448 309 L N 1.877 123.036 121.223 -0.107 0.000 2.089 309 L HA -0.240 4.100 4.340 0.000 0.000 0.213 309 L C 2.244 178.983 176.870 -0.218 0.000 1.079 309 L CA 2.103 56.793 54.840 -0.251 0.000 0.758 309 L CB -0.549 41.209 42.059 -0.501 0.000 0.891 309 L HN 0.078 nan 8.230 nan 0.000 0.433 310 K N -1.004 119.352 120.400 -0.073 0.000 2.057 310 K HA -0.199 4.121 4.320 0.000 0.000 0.207 310 K C 2.038 178.577 176.600 -0.101 0.000 1.049 310 K CA 1.852 58.113 56.287 -0.043 0.000 0.931 310 K CB -0.368 32.043 32.500 -0.148 0.000 0.714 310 K HN 0.627 nan 8.250 nan 0.000 0.440 311 T N -0.491 114.004 114.554 -0.098 0.000 2.897 311 T HA -0.115 4.235 4.350 0.000 0.000 0.271 311 T C 1.687 176.316 174.700 -0.119 0.000 1.084 311 T CA 0.951 62.997 62.100 -0.091 0.000 1.123 311 T CB -0.084 68.742 68.868 -0.070 0.000 0.865 311 T HN 0.104 nan 8.240 nan 0.000 0.496 312 L N 0.325 121.436 121.223 -0.186 0.000 2.270 312 L HA 0.370 4.710 4.340 0.000 0.000 0.210 312 L C 2.471 179.140 176.870 -0.334 0.000 1.104 312 L CA 0.698 55.345 54.840 -0.321 0.000 0.804 312 L CB -0.699 41.064 42.059 -0.492 0.000 0.937 312 L HN 0.271 nan 8.230 nan 0.000 0.450 313 L N 0.680 121.772 121.223 -0.218 0.000 2.064 313 L HA -0.235 4.105 4.340 0.000 0.000 0.216 313 L C -0.196 176.602 176.870 -0.120 0.000 1.077 313 L CA 1.652 56.397 54.840 -0.159 0.000 0.766 313 L CB -2.164 39.880 42.059 -0.024 0.000 0.890 313 L HN 0.314 nan 8.230 nan 0.000 0.435 314 P HA -0.153 nan 4.420 nan 0.000 0.226 314 P C 1.131 178.433 177.300 0.002 0.000 1.153 314 P CA 1.239 64.353 63.100 0.024 0.000 0.777 314 P CB 0.078 31.797 31.700 0.031 0.000 0.794 315 Q N -1.093 118.676 119.800 -0.051 0.000 2.402 315 Q HA 0.171 4.511 4.340 0.000 0.000 0.206 315 Q C 1.105 177.205 176.000 0.167 0.000 0.919 315 Q CA 0.127 55.958 55.803 0.048 0.000 0.923 315 Q CB -0.112 28.664 28.738 0.063 0.000 1.048 315 Q HN 0.355 nan 8.270 nan 0.000 0.515 316 M N 0.996 120.601 119.600 0.009 0.000 2.240 316 M HA 0.095 4.576 4.480 0.000 0.000 0.333 316 M C 0.027 176.384 176.300 0.095 0.000 1.110 316 M CA 0.298 55.687 55.300 0.148 0.000 1.173 316 M CB 0.752 33.329 32.600 -0.038 0.000 1.458 316 M HN -0.168 nan 8.290 nan 0.000 0.458 317 T N 4.036 118.673 114.554 0.138 0.000 2.794 317 T HA 0.349 4.699 4.350 0.000 0.000 0.296 317 T C -2.236 172.481 174.700 0.028 0.000 0.949 317 T CA -0.917 61.228 62.100 0.075 0.000 1.101 317 T CB 0.222 69.142 68.868 0.086 0.000 0.905 317 T HN 0.434 nan 8.240 nan 0.000 0.516 318 P HA 0.646 nan 4.420 nan 0.000 0.287 318 P C -1.430 175.884 177.300 0.023 0.000 1.270 318 P CA -0.744 62.340 63.100 -0.027 0.000 0.844 318 P CB 1.424 33.097 31.700 -0.045 0.000 1.068 319 A N 2.225 125.063 122.820 0.030 0.000 2.430 319 A HA 0.653 4.973 4.320 0.000 0.000 0.300 319 A C -0.620 176.995 177.584 0.051 0.000 1.124 319 A CA -0.739 51.329 52.037 0.051 0.000 0.766 319 A CB 0.938 19.979 19.000 0.070 0.000 1.328 319 A HN 0.546 nan 8.150 nan 0.000 0.424 320 N N 0.877 119.609 118.700 0.053 0.000 2.405 320 N HA 0.701 5.441 4.740 0.000 0.000 0.299 320 N C -0.669 174.878 175.510 0.060 0.000 1.075 320 N CA -0.151 52.929 53.050 0.050 0.000 0.884 320 N CB 1.638 40.150 38.487 0.042 0.000 1.194 320 N HN 0.861 nan 8.380 nan 0.000 0.491 321 M N -1.580 118.060 119.600 0.066 0.000 2.465 321 M HA 0.412 4.893 4.480 0.000 0.000 0.284 321 M C -0.582 175.767 176.300 0.082 0.000 1.212 321 M CA -0.815 54.536 55.300 0.084 0.000 0.910 321 M CB 1.973 34.649 32.600 0.127 0.000 1.725 321 M HN 0.241 nan 8.290 nan 0.000 0.477 322 S N 1.379 117.128 115.700 0.081 0.000 2.563 322 S HA 0.033 4.503 4.470 0.000 0.000 0.294 322 S C 1.086 175.749 174.600 0.105 0.000 1.279 322 S CA 0.651 58.896 58.200 0.075 0.000 1.069 322 S CB 0.675 63.914 63.200 0.066 0.000 0.828 322 S HN 0.874 nan 8.310 nan 0.000 0.497 323 S N 4.209 119.956 115.700 0.078 0.000 2.370 323 S HA -0.080 4.391 4.470 0.000 0.000 0.226 323 S C 2.012 176.700 174.600 0.146 0.000 1.033 323 S CA 1.922 60.176 58.200 0.090 0.000 1.011 323 S CB -1.082 62.142 63.200 0.041 0.000 0.852 323 S HN 0.973 nan 8.310 nan 0.000 0.457 324 G N 0.874 109.736 108.800 0.103 0.000 2.446 324 G HA2 -0.110 3.851 3.960 0.000 0.000 0.217 324 G HA3 -0.110 3.851 3.960 0.000 0.000 0.217 324 G C 1.725 176.691 174.900 0.110 0.000 1.168 324 G CA 1.105 46.262 45.100 0.095 0.000 0.771 324 G HN 0.729 nan 8.290 nan 0.000 0.551 325 A N 0.535 123.421 122.820 0.110 0.000 1.883 325 A HA -0.141 4.179 4.320 0.000 0.000 0.217 325 A C 2.180 179.839 177.584 0.124 0.000 1.186 325 A CA 1.739 53.833 52.037 0.096 0.000 0.624 325 A CB -0.956 18.099 19.000 0.091 0.000 0.822 325 A HN 0.642 nan 8.150 nan 0.000 0.444 326 W N 1.444 122.751 121.300 0.012 0.000 2.321 326 W HA -0.240 4.420 4.660 0.000 0.000 0.306 326 W C 1.581 178.106 176.519 0.010 0.000 1.217 326 W CA 2.168 59.521 57.345 0.013 0.000 1.257 326 W CB -0.538 28.932 29.460 0.017 0.000 1.145 326 W HN 0.422 nan 8.180 nan 0.000 0.509 327 N N 0.834 119.620 118.700 0.143 0.000 2.166 327 N HA -0.181 4.559 4.740 0.000 0.000 0.186 327 N C 1.846 177.317 175.510 -0.065 0.000 1.019 327 N CA 2.000 55.068 53.050 0.030 0.000 0.856 327 N CB -0.711 37.842 38.487 0.109 0.000 0.993 327 N HN 0.309 nan 8.380 nan 0.000 0.426 328 I N 0.766 121.316 120.570 -0.034 0.000 2.110 328 I HA -0.253 3.917 4.170 0.000 0.000 0.236 328 I C 2.350 178.404 176.117 -0.104 0.000 1.068 328 I CA 0.561 61.832 61.300 -0.048 0.000 1.333 328 I CB -0.333 37.657 38.000 -0.016 0.000 1.054 328 I HN 0.033 nan 8.210 nan 0.000 0.402 329 L N 1.335 122.480 121.223 -0.129 0.000 2.030 329 L HA -0.322 4.018 4.340 0.000 0.000 0.222 329 L C 2.432 179.154 176.870 -0.247 0.000 1.082 329 L CA 2.058 56.790 54.840 -0.180 0.000 0.785 329 L CB -0.764 41.164 42.059 -0.219 0.000 0.895 329 L HN 0.130 nan 8.230 nan 0.000 0.439 330 K N -0.750 119.424 120.400 -0.378 0.000 2.059 330 K HA -0.275 4.045 4.320 0.000 0.000 0.212 330 K C 2.140 178.626 176.600 -0.191 0.000 1.050 330 K CA 1.984 58.058 56.287 -0.354 0.000 0.927 330 K CB -0.386 31.873 32.500 -0.401 0.000 0.714 330 K HN 0.586 nan 8.250 nan 0.000 0.447 331 E N 1.220 121.336 120.200 -0.140 0.000 2.051 331 E HA -0.194 4.156 4.350 0.000 0.000 0.192 331 E C 2.119 178.673 176.600 -0.077 0.000 0.991 331 E CA 1.027 57.376 56.400 -0.086 0.000 0.799 331 E CB -0.020 29.645 29.700 -0.059 0.000 0.748 331 E HN 0.246 nan 8.360 nan 0.000 0.449 332 L N 0.482 121.655 121.223 -0.082 0.000 2.017 332 L HA -0.194 4.147 4.340 0.000 0.000 0.208 332 L C 2.709 179.536 176.870 -0.072 0.000 1.073 332 L CA 0.974 55.774 54.840 -0.067 0.000 0.745 332 L CB -0.691 41.328 42.059 -0.066 0.000 0.894 332 L HN 0.056 nan 8.230 nan 0.000 0.432 333 V N 0.369 120.224 119.914 -0.098 0.000 2.392 333 V HA -0.301 3.819 4.120 0.000 0.000 0.249 333 V C 2.204 178.253 176.094 -0.075 0.000 1.059 333 V CA 2.304 64.548 62.300 -0.094 0.000 1.051 333 V CB -0.864 30.883 31.823 -0.126 0.000 0.658 333 V HN 0.527 nan 8.190 nan 0.000 0.455 334 N N 0.265 118.918 118.700 -0.078 0.000 2.354 334 N HA -0.036 4.704 4.740 0.000 0.000 0.179 334 N C 1.646 177.131 175.510 -0.041 0.000 1.021 334 N CA 1.131 54.147 53.050 -0.057 0.000 0.887 334 N CB -0.195 38.257 38.487 -0.059 0.000 0.974 334 N HN 0.405 nan 8.380 nan 0.000 0.437 335 A N -0.090 122.706 122.820 -0.040 0.000 2.014 335 A HA -0.019 4.302 4.320 0.000 0.000 0.218 335 A C 2.071 179.649 177.584 -0.010 0.000 1.163 335 A CA 1.640 53.663 52.037 -0.024 0.000 0.652 335 A CB -0.529 18.457 19.000 -0.024 0.000 0.808 335 A HN 0.313 nan 8.150 nan 0.000 0.449 336 V N -4.454 115.453 119.914 -0.012 0.000 3.565 336 V HA 0.159 4.279 4.120 0.000 0.000 0.260 336 V C 0.748 176.851 176.094 0.014 0.000 1.231 336 V CA 0.357 62.667 62.300 0.018 0.000 1.100 336 V CB -0.076 31.748 31.823 0.002 0.000 0.807 336 V HN 0.350 nan 8.190 nan 0.000 0.454 337 Q N 1.750 121.539 119.800 -0.017 0.000 2.526 337 Q HA 0.463 4.803 4.340 0.000 0.000 0.353 337 Q C -0.697 175.290 176.000 -0.022 0.000 0.977 337 Q CA 0.364 56.152 55.803 -0.024 0.000 1.027 337 Q CB 0.431 29.148 28.738 -0.036 0.000 1.272 337 Q HN 0.905 nan 8.270 nan 0.000 0.420 338 D N 0.000 120.389 120.400 -0.018 0.000 6.856 338 D HA 0.000 4.640 4.640 0.000 0.000 0.175 338 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 338 D CB 0.000 40.787 40.800 -0.021 0.000 0.688 338 D HN 0.000 nan 8.370 nan 0.000 0.683