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 2cst_1_B DATA FIRST_RESID 2 DATA SEQUENCE AASIFAAVPR APPVAVFKLT ADFREDGDSR KVNLGVGAYR TDEGQPWVLP DATA SEQUENCE VVRKVEQLIA GDGSLNHEYL PILGLPEFRA NASRIALGDD SPAIAQKRVG DATA SEQUENCE SVQGLGGTGA LRIGAEFLRR WYNGNNNTAT PVYVSSPTWE NHNSVFMDAG DATA SEQUENCE FKDIRTYRYW DAAKRGLDLQ GLLDDMEKAP EFSIFILHAC AHNPTGTDPT DATA SEQUENCE PDEWKQIAAV MKRRCLFPFF DSAYQGFASG SLDKDAWAVR YFVSEGFELF DATA SEQUENCE CAQSFSKNFG LYNERVGNLS VVGKDEDNVQ RVLSQMEKIV RTTWSNPPSQ DATA SEQUENCE GARIVATTLT SPQLFAEWKD NVKTMADRVL LMRSELRSRL ESLGTPGTWN DATA SEQUENCE HITDQIGMFS FTGLNPKQVE YMIKEKHIYL MASGRINMCG LTTKNLDYVA DATA SEQUENCE KSIHEAVTKI Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.572 177.584 -0.020 0.000 1.274 2 A CA 0.000 52.029 52.037 -0.012 0.000 0.836 2 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 3 A N 0.177 122.988 122.820 -0.015 0.000 1.677 3 A HA 0.344 4.664 4.320 0.000 0.000 0.219 3 A C 0.463 178.022 177.584 -0.042 0.000 1.295 3 A CA 1.030 53.055 52.037 -0.020 0.000 0.647 3 A CB -1.823 17.164 19.000 -0.022 0.000 1.201 3 A HN 2.601 nan 8.150 nan 0.000 0.214 4 S N 1.556 117.237 115.700 -0.032 0.000 2.579 4 S HA 0.419 4.889 4.470 0.000 0.000 0.275 4 S C 1.680 176.187 174.600 -0.155 0.000 1.345 4 S CA -0.025 58.130 58.200 -0.074 0.000 1.031 4 S CB 0.054 63.267 63.200 0.022 0.000 0.892 4 S HN 1.689 nan 8.310 nan 0.000 0.529 5 I N 0.387 120.738 120.570 -0.364 0.000 2.916 5 I HA 0.075 4.245 4.170 0.000 0.000 0.267 5 I C 0.312 176.193 176.117 -0.392 0.000 1.263 5 I CA 1.149 62.191 61.300 -0.430 0.000 1.471 5 I CB -0.484 37.157 38.000 -0.600 0.000 1.089 5 I HN 0.457 nan 8.210 nan 0.000 0.468 6 F N 1.307 121.257 119.950 0.001 0.000 2.653 6 F HA 0.533 5.060 4.527 -0.000 0.000 0.304 6 F C 2.445 178.246 175.800 0.001 0.000 1.092 6 F CA -0.092 57.909 58.000 0.001 0.000 1.279 6 F CB -0.519 38.482 39.000 0.002 0.000 1.044 6 F HN 0.007 nan 8.300 nan 0.000 0.564 7 A N 0.746 123.632 122.820 0.111 0.000 1.927 7 A HA -0.137 4.183 4.320 0.000 0.000 0.220 7 A C 2.283 179.907 177.584 0.066 0.000 1.185 7 A CA 2.095 54.176 52.037 0.074 0.000 0.639 7 A CB -0.936 18.082 19.000 0.030 0.000 0.820 7 A HN 0.297 nan 8.150 nan 0.000 0.451 8 A N -0.937 121.920 122.820 0.061 0.000 2.307 8 A HA 0.478 4.798 4.320 0.000 0.000 0.218 8 A C 0.508 178.126 177.584 0.057 0.000 1.228 8 A CA -0.058 52.007 52.037 0.048 0.000 0.857 8 A CB -0.251 18.768 19.000 0.031 0.000 0.897 8 A HN 0.236 nan 8.150 nan 0.000 0.495 9 V N 3.455 123.420 119.914 0.084 0.000 2.439 9 V HA 0.185 4.305 4.120 0.000 0.000 0.271 9 V C -1.751 174.369 176.094 0.043 0.000 1.040 9 V CA -1.240 61.103 62.300 0.071 0.000 1.002 9 V CB 0.326 32.206 31.823 0.096 0.000 1.000 9 V HN 0.443 nan 8.190 nan 0.000 0.477 10 P HA 0.233 nan 4.420 nan 0.000 0.274 10 P C -0.335 176.972 177.300 0.012 0.000 1.237 10 P CA -0.739 62.373 63.100 0.020 0.000 0.793 10 P CB 0.597 32.307 31.700 0.016 0.000 0.977 11 R N 1.234 121.740 120.500 0.010 0.000 2.316 11 R HA 0.461 4.801 4.340 0.000 0.000 0.314 11 R C -0.445 175.857 176.300 0.004 0.000 1.069 11 R CA -0.177 55.926 56.100 0.005 0.000 0.959 11 R CB -0.137 30.167 30.300 0.006 0.000 0.987 11 R HN 0.626 nan 8.270 nan 0.000 0.446 12 A N 6.982 129.803 122.820 0.001 0.000 2.310 12 A HA 0.549 4.869 4.320 0.000 0.000 0.299 12 A C -2.034 175.553 177.584 0.005 0.000 1.147 12 A CA -1.430 50.608 52.037 0.002 0.000 0.818 12 A CB 0.257 19.257 19.000 0.000 0.000 1.096 12 A HN 0.550 nan 8.150 nan 0.000 0.495 13 P HA 0.343 nan 4.420 nan 0.000 0.269 13 P C -2.536 174.772 177.300 0.013 0.000 1.215 13 P CA -0.740 62.365 63.100 0.009 0.000 0.780 13 P CB -0.422 31.280 31.700 0.005 0.000 0.898 14 P HA 0.149 nan 4.420 nan 0.000 0.279 14 P C -0.665 176.660 177.300 0.041 0.000 1.252 14 P CA -0.488 62.634 63.100 0.036 0.000 0.811 14 P CB 0.385 32.112 31.700 0.046 0.000 1.035 15 V N 1.880 121.839 119.914 0.075 0.000 2.475 15 V HA 0.002 4.122 4.120 0.000 0.000 0.292 15 V C 1.893 178.009 176.094 0.036 0.000 1.003 15 V CA 0.939 63.283 62.300 0.073 0.000 1.120 15 V CB -0.374 31.566 31.823 0.194 0.000 0.937 15 V HN 0.811 nan 8.190 nan 0.000 0.476 16 A N 6.230 129.030 122.820 -0.033 0.000 1.870 16 A HA -0.194 4.126 4.320 0.000 0.000 0.219 16 A C 2.220 179.754 177.584 -0.083 0.000 1.224 16 A CA 2.819 54.827 52.037 -0.049 0.000 0.650 16 A CB -0.941 18.021 19.000 -0.063 0.000 0.836 16 A HN 1.325 nan 8.150 nan 0.000 0.454 17 V N -3.573 116.212 119.914 -0.214 0.000 2.324 17 V HA -0.263 3.857 4.120 0.000 0.000 0.250 17 V C 2.272 178.225 176.094 -0.235 0.000 1.060 17 V CA 2.413 64.536 62.300 -0.296 0.000 1.042 17 V CB -1.434 30.095 31.823 -0.489 0.000 0.650 17 V HN 0.367 nan 8.190 nan 0.000 0.450 18 F N 0.569 120.537 119.950 0.029 0.000 2.206 18 F HA 0.138 4.665 4.527 0.000 0.000 0.298 18 F C 2.485 178.292 175.800 0.011 0.000 1.090 18 F CA 1.320 59.333 58.000 0.022 0.000 1.323 18 F CB -0.857 38.157 39.000 0.023 0.000 1.028 18 F HN 0.101 nan 8.300 nan 0.000 0.492 19 K N 0.978 121.471 120.400 0.155 0.000 2.026 19 K HA -0.161 4.159 4.320 0.000 0.000 0.208 19 K C 2.177 178.810 176.600 0.055 0.000 1.048 19 K CA 1.122 57.463 56.287 0.091 0.000 0.929 19 K CB -1.010 31.528 32.500 0.063 0.000 0.713 19 K HN 0.239 nan 8.250 nan 0.000 0.439 20 L N 1.096 122.345 121.223 0.042 0.000 2.081 20 L HA -0.172 4.168 4.340 0.000 0.000 0.212 20 L C 2.090 178.942 176.870 -0.030 0.000 1.080 20 L CA 1.971 56.826 54.840 0.025 0.000 0.754 20 L CB -0.870 41.218 42.059 0.047 0.000 0.893 20 L HN 0.186 nan 8.230 nan 0.000 0.433 21 T N -0.918 113.653 114.554 0.028 0.000 2.904 21 T HA -0.062 4.288 4.350 0.000 0.000 0.267 21 T C 1.868 176.613 174.700 0.075 0.000 1.059 21 T CA 0.985 63.117 62.100 0.054 0.000 1.137 21 T CB -0.261 68.670 68.868 0.105 0.000 0.879 21 T HN 0.497 nan 8.240 nan 0.000 0.467 22 A N 2.000 124.852 122.820 0.053 0.000 1.877 22 A HA -0.141 4.179 4.320 0.000 0.000 0.216 22 A C 2.109 179.680 177.584 -0.021 0.000 1.186 22 A CA 1.716 53.772 52.037 0.030 0.000 0.620 22 A CB -0.677 18.346 19.000 0.038 0.000 0.822 22 A HN 0.318 nan 8.150 nan 0.000 0.443 23 D N -0.944 119.419 120.400 -0.061 0.000 2.104 23 D HA -0.160 4.480 4.640 0.000 0.000 0.194 23 D C 1.630 177.768 176.300 -0.270 0.000 0.994 23 D CA 1.471 55.397 54.000 -0.123 0.000 0.830 23 D CB -0.566 40.172 40.800 -0.104 0.000 0.959 23 D HN 0.443 nan 8.370 nan 0.000 0.452 24 F N 1.966 121.536 119.950 -0.633 0.000 2.043 24 F HA -0.243 4.284 4.527 0.000 0.000 0.297 24 F C 2.353 178.023 175.800 -0.217 0.000 1.121 24 F CA 1.756 59.365 58.000 -0.651 0.000 1.199 24 F CB -0.187 38.504 39.000 -0.515 0.000 0.968 24 F HN -0.187 nan 8.300 nan 0.000 0.478 25 R N 0.348 120.759 120.500 -0.148 0.000 2.091 25 R HA -0.217 4.123 4.340 0.000 0.000 0.238 25 R C 2.174 178.353 176.300 -0.202 0.000 1.136 25 R CA 1.969 57.961 56.100 -0.180 0.000 0.959 25 R CB -0.713 29.588 30.300 0.001 0.000 0.856 25 R HN 0.644 nan 8.270 nan 0.000 0.437 26 E N 0.730 120.847 120.200 -0.138 0.000 2.208 26 E HA -0.102 4.248 4.350 0.000 0.000 0.193 26 E C 0.349 176.895 176.600 -0.090 0.000 0.988 26 E CA 0.438 56.784 56.400 -0.089 0.000 0.828 26 E CB -0.112 29.562 29.700 -0.043 0.000 0.763 26 E HN 0.096 nan 8.360 nan 0.000 0.478 27 D N 0.229 120.557 120.400 -0.120 0.000 2.423 27 D HA 0.032 4.672 4.640 0.000 0.000 0.238 27 D C 0.885 177.131 176.300 -0.089 0.000 1.142 27 D CA 0.685 54.666 54.000 -0.032 0.000 0.884 27 D CB 1.427 42.294 40.800 0.111 0.000 1.199 27 D HN 0.136 nan 8.370 nan 0.000 0.438 28 G N 2.499 111.274 108.800 -0.041 0.000 2.709 28 G HA2 -0.072 3.888 3.960 0.000 0.000 0.208 28 G HA3 -0.072 3.888 3.960 0.000 0.000 0.208 28 G C 0.599 175.431 174.900 -0.113 0.000 1.129 28 G CA -0.193 44.861 45.100 -0.078 0.000 0.793 28 G HN 0.603 nan 8.290 nan 0.000 0.524 29 D N 1.435 121.735 120.400 -0.166 0.000 2.571 29 D HA -0.044 4.596 4.640 0.000 0.000 0.231 29 D C 1.791 177.981 176.300 -0.184 0.000 1.133 29 D CA 0.708 54.530 54.000 -0.297 0.000 0.862 29 D CB 1.108 41.406 40.800 -0.837 0.000 1.179 29 D HN 0.218 nan 8.370 nan 0.000 0.474 30 S N 3.501 119.106 115.700 -0.159 0.000 2.561 30 S HA -0.041 4.429 4.470 0.000 0.000 0.225 30 S C 1.343 175.889 174.600 -0.091 0.000 0.977 30 S CA 0.147 58.282 58.200 -0.107 0.000 0.926 30 S CB 0.161 63.301 63.200 -0.099 0.000 0.769 30 S HN 0.445 nan 8.310 nan 0.000 0.533 31 R N 1.338 121.772 120.500 -0.110 0.000 2.317 31 R HA 0.295 4.635 4.340 0.000 0.000 0.208 31 R C 0.097 176.527 176.300 0.217 0.000 0.914 31 R CA -0.059 55.994 56.100 -0.077 0.000 1.060 31 R CB -0.108 30.027 30.300 -0.275 0.000 1.015 31 R HN 0.347 nan 8.270 nan 0.000 0.498 32 K N 1.263 121.786 120.400 0.205 0.000 2.477 32 K HA -0.038 4.282 4.320 0.000 0.000 0.275 32 K C -0.653 176.282 176.600 0.558 0.000 1.054 32 K CA 0.609 57.145 56.287 0.416 0.000 1.135 32 K CB 0.472 33.099 32.500 0.212 0.000 0.854 32 K HN -0.092 nan 8.250 nan 0.000 0.484 33 V N 3.750 124.006 119.914 0.570 0.000 2.447 33 V HA 0.072 4.192 4.120 0.000 0.000 0.292 33 V C -0.361 175.789 176.094 0.094 0.000 1.021 33 V CA -1.072 61.401 62.300 0.289 0.000 0.850 33 V CB 1.444 33.372 31.823 0.175 0.000 1.005 33 V HN 0.651 nan 8.190 nan 0.000 0.426 34 N N 4.707 123.190 118.700 -0.362 0.000 2.521 34 N HA 0.291 5.031 4.740 0.000 0.000 0.236 34 N C -0.229 175.141 175.510 -0.234 0.000 1.067 34 N CA -0.357 52.329 53.050 -0.606 0.000 0.939 34 N CB 1.153 38.869 38.487 -1.285 0.000 1.201 34 N HN 0.498 nan 8.380 nan 0.000 0.511 35 L N 2.807 123.985 121.223 -0.074 0.000 2.928 35 L HA 0.459 4.799 4.340 0.000 0.000 0.246 35 L C 1.413 178.311 176.870 0.046 0.000 1.239 35 L CA -0.143 54.695 54.840 -0.005 0.000 1.035 35 L CB 0.215 42.283 42.059 0.016 0.000 1.360 35 L HN 0.637 nan 8.230 nan 0.000 0.529 36 G N -1.301 107.510 108.800 0.018 0.000 2.908 36 G HA2 0.080 4.040 3.960 0.000 0.000 0.188 36 G HA3 0.080 4.040 3.960 0.000 0.000 0.188 36 G C 0.159 175.117 174.900 0.098 0.000 1.903 36 G CA -0.018 45.110 45.100 0.047 0.000 0.883 36 G HN -0.063 nan 8.290 nan 0.000 0.515 37 V N 1.830 121.773 119.914 0.048 0.000 2.752 37 V HA 0.337 4.457 4.120 0.000 0.000 0.306 37 V C 1.384 177.591 176.094 0.188 0.000 1.099 37 V CA 0.702 63.054 62.300 0.087 0.000 1.240 37 V CB 0.837 32.687 31.823 0.045 0.000 0.887 37 V HN 0.654 nan 8.190 nan 0.000 0.499 38 G N 6.030 115.031 108.800 0.335 0.000 3.008 38 G HA2 0.527 4.487 3.960 0.000 0.000 0.272 38 G HA3 0.527 4.487 3.960 0.000 0.000 0.272 38 G C 0.023 175.049 174.900 0.211 0.000 0.764 38 G CA 0.391 45.703 45.100 0.353 0.000 2.029 38 G HN 1.374 nan 8.290 nan 0.000 0.587 39 A N 1.525 124.401 122.820 0.093 0.000 2.386 39 A HA 0.639 4.959 4.320 0.000 0.000 0.311 39 A C -0.988 176.687 177.584 0.151 0.000 1.068 39 A CA -0.854 51.200 52.037 0.028 0.000 0.743 39 A CB 1.364 20.148 19.000 -0.360 0.000 1.258 39 A HN 0.494 nan 8.150 nan 0.000 0.429 40 Y N 1.412 121.863 120.300 0.251 0.000 2.480 40 Y HA 0.521 5.071 4.550 -0.000 0.000 0.338 40 Y C 0.422 176.446 175.900 0.205 0.000 1.220 40 Y CA 0.818 59.095 58.100 0.294 0.000 1.430 40 Y CB 0.519 39.283 38.460 0.506 0.000 1.311 40 Y HN 0.740 nan 8.280 nan 0.000 0.575 41 R N 1.871 121.918 120.500 -0.754 0.000 2.725 41 R HA 0.356 4.696 4.340 0.000 0.000 0.277 41 R C -0.432 175.354 176.300 -0.856 0.000 0.987 41 R CA -0.476 55.305 56.100 -0.531 0.000 0.901 41 R CB 1.612 31.754 30.300 -0.263 0.000 1.207 41 R HN 0.823 nan 8.270 nan 0.000 0.463 42 T N -2.167 112.154 114.554 -0.390 0.000 2.732 42 T HA 0.045 4.395 4.350 0.000 0.000 0.287 42 T C 0.868 175.435 174.700 -0.222 0.000 0.993 42 T CA -0.217 61.703 62.100 -0.301 0.000 0.966 42 T CB 0.618 69.375 68.868 -0.184 0.000 1.047 42 T HN 0.631 nan 8.240 nan 0.000 0.527 43 D N -0.736 119.567 120.400 -0.161 0.000 2.264 43 D HA -0.082 4.558 4.640 0.000 0.000 0.208 43 D C 1.728 177.984 176.300 -0.073 0.000 0.966 43 D CA 0.670 54.606 54.000 -0.106 0.000 0.864 43 D CB -0.016 40.734 40.800 -0.083 0.000 0.933 43 D HN 0.547 nan 8.370 nan 0.000 0.499 44 E N -0.546 119.615 120.200 -0.066 0.000 2.476 44 E HA 0.102 4.452 4.350 0.000 0.000 0.191 44 E C 1.140 177.729 176.600 -0.019 0.000 1.064 44 E CA 0.452 56.833 56.400 -0.031 0.000 0.866 44 E CB 0.222 29.913 29.700 -0.015 0.000 0.952 44 E HN 0.393 nan 8.360 nan 0.000 0.492 45 G N 1.872 110.644 108.800 -0.046 0.000 2.176 45 G HA2 -0.242 3.718 3.960 0.000 0.000 0.252 45 G HA3 -0.242 3.718 3.960 0.000 0.000 0.252 45 G C 0.220 175.115 174.900 -0.010 0.000 1.024 45 G CA 0.260 45.340 45.100 -0.034 0.000 0.755 45 G HN 0.144 nan 8.290 nan 0.000 0.507 46 Q N -0.476 119.321 119.800 -0.005 0.000 2.297 46 Q HA 0.521 4.861 4.340 0.000 0.000 0.268 46 Q C -2.462 173.585 176.000 0.079 0.000 1.045 46 Q CA -2.011 53.820 55.803 0.046 0.000 0.861 46 Q CB 1.756 30.537 28.738 0.072 0.000 1.344 46 Q HN 0.159 nan 8.270 nan 0.000 0.452 47 P HA 0.029 nan 4.420 nan 0.000 0.269 47 P C -0.945 176.567 177.300 0.353 0.000 1.215 47 P CA -0.050 63.167 63.100 0.195 0.000 0.780 47 P CB 0.428 32.218 31.700 0.150 0.000 0.898 48 W N 3.366 124.810 121.300 0.239 0.000 2.475 48 W HA 0.402 5.062 4.660 -0.000 0.000 0.320 48 W C -1.623 175.042 176.519 0.243 0.000 1.022 48 W CA -0.744 56.756 57.345 0.258 0.000 1.240 48 W CB 0.952 30.648 29.460 0.392 0.000 1.328 48 W HN -0.014 nan 8.180 nan 0.000 0.439 49 V N 7.993 127.913 119.914 0.010 0.000 2.432 49 V HA 0.168 4.288 4.120 0.000 0.000 0.271 49 V C 0.821 176.574 176.094 -0.567 0.000 1.046 49 V CA -0.702 61.516 62.300 -0.138 0.000 0.945 49 V CB 0.328 32.137 31.823 -0.024 0.000 0.992 49 V HN 0.357 nan 8.190 nan 0.000 0.471 50 L N 7.350 128.202 121.223 -0.619 0.000 2.514 50 L HA 0.082 4.422 4.340 0.000 0.000 0.280 50 L C -1.189 175.414 176.870 -0.445 0.000 1.223 50 L CA -1.113 53.218 54.840 -0.848 0.000 0.864 50 L CB -0.077 41.673 42.059 -0.513 0.000 1.118 50 L HN 0.407 nan 8.230 nan 0.000 0.494 51 P HA -0.170 nan 4.420 nan 0.000 0.215 51 P C 1.771 179.032 177.300 -0.064 0.000 1.153 51 P CA 0.845 63.878 63.100 -0.112 0.000 0.853 51 P CB 0.247 31.949 31.700 0.004 0.000 0.788 52 V N -0.466 119.412 119.914 -0.058 0.000 2.490 52 V HA -0.178 3.942 4.120 0.000 0.000 0.250 52 V C 2.183 178.281 176.094 0.007 0.000 1.061 52 V CA 1.693 63.995 62.300 0.003 0.000 1.064 52 V CB -0.839 31.015 31.823 0.053 0.000 0.670 52 V HN -0.098 nan 8.190 nan 0.000 0.461 53 V N 0.271 120.176 119.914 -0.016 0.000 2.358 53 V HA -0.229 3.891 4.120 0.000 0.000 0.246 53 V C 2.567 178.655 176.094 -0.010 0.000 1.047 53 V CA 2.432 64.738 62.300 0.011 0.000 1.035 53 V CB -0.833 31.002 31.823 0.021 0.000 0.658 53 V HN 0.596 nan 8.190 nan 0.000 0.452 54 R N 0.460 120.943 120.500 -0.029 0.000 2.083 54 R HA -0.170 4.170 4.340 0.000 0.000 0.237 54 R C 2.343 178.640 176.300 -0.004 0.000 1.137 54 R CA 1.778 57.869 56.100 -0.015 0.000 0.951 54 R CB -0.308 29.981 30.300 -0.019 0.000 0.851 54 R HN 0.399 nan 8.270 nan 0.000 0.434 55 K N -0.487 119.913 120.400 -0.000 0.000 2.026 55 K HA -0.101 4.219 4.320 0.000 0.000 0.208 55 K C 1.958 178.560 176.600 0.003 0.000 1.048 55 K CA 1.706 57.997 56.287 0.007 0.000 0.929 55 K CB -0.110 32.399 32.500 0.015 0.000 0.713 55 K HN 0.078 nan 8.250 nan 0.000 0.439 56 V N 1.608 121.523 119.914 0.001 0.000 2.427 56 V HA -0.207 3.913 4.120 0.000 0.000 0.248 56 V C 1.943 178.025 176.094 -0.021 0.000 1.051 56 V CA 1.635 63.929 62.300 -0.010 0.000 1.048 56 V CB -0.407 31.409 31.823 -0.012 0.000 0.666 56 V HN 0.339 nan 8.190 nan 0.000 0.456 57 E N -0.390 119.799 120.200 -0.018 0.000 2.118 57 E HA -0.251 4.099 4.350 0.000 0.000 0.195 57 E C 2.408 178.999 176.600 -0.015 0.000 0.992 57 E CA 1.226 57.614 56.400 -0.020 0.000 0.804 57 E CB -0.099 29.592 29.700 -0.014 0.000 0.741 57 E HN 0.538 nan 8.360 nan 0.000 0.458 58 Q N 0.388 120.182 119.800 -0.009 0.000 2.079 58 Q HA -0.109 4.231 4.340 0.000 0.000 0.200 58 Q C 2.359 178.353 176.000 -0.010 0.000 0.974 58 Q CA 0.841 56.641 55.803 -0.006 0.000 0.840 58 Q CB -0.454 28.284 28.738 0.000 0.000 0.898 58 Q HN 0.306 nan 8.270 nan 0.000 0.430 59 L N 0.234 121.450 121.223 -0.012 0.000 1.990 59 L HA -0.224 4.116 4.340 0.000 0.000 0.213 59 L C 2.309 179.164 176.870 -0.026 0.000 1.072 59 L CA 1.241 56.072 54.840 -0.016 0.000 0.755 59 L CB -0.353 41.697 42.059 -0.016 0.000 0.889 59 L HN 0.170 nan 8.230 nan 0.000 0.432 60 I N -0.840 119.710 120.570 -0.033 0.000 2.127 60 I HA -0.344 3.826 4.170 0.000 0.000 0.241 60 I C 2.628 178.722 176.117 -0.040 0.000 1.075 60 I CA 1.328 62.601 61.300 -0.045 0.000 1.334 60 I CB -0.533 37.434 38.000 -0.055 0.000 1.040 60 I HN 0.276 nan 8.210 nan 0.000 0.405 61 A N 0.520 123.323 122.820 -0.027 0.000 2.024 61 A HA -0.139 4.181 4.320 0.000 0.000 0.220 61 A C 2.269 179.841 177.584 -0.019 0.000 1.164 61 A CA 1.926 53.952 52.037 -0.019 0.000 0.643 61 A CB -1.163 17.831 19.000 -0.010 0.000 0.806 61 A HN 0.527 nan 8.150 nan 0.000 0.451 62 G N -1.424 107.364 108.800 -0.020 0.000 2.939 62 G HA2 0.094 4.054 3.960 0.000 0.000 0.210 62 G HA3 0.094 4.054 3.960 0.000 0.000 0.210 62 G C 0.188 175.075 174.900 -0.023 0.000 1.160 62 G CA 0.454 45.544 45.100 -0.017 0.000 0.770 62 G HN 0.379 nan 8.290 nan 0.000 0.543 63 D N 1.132 121.513 120.400 -0.032 0.000 2.402 63 D HA 0.269 4.909 4.640 0.000 0.000 0.235 63 D C 1.617 177.890 176.300 -0.045 0.000 1.226 63 D CA -0.147 53.830 54.000 -0.038 0.000 0.918 63 D CB 0.834 41.606 40.800 -0.047 0.000 1.043 63 D HN 0.028 nan 8.370 nan 0.000 0.506 64 G N 1.989 110.768 108.800 -0.036 0.000 2.744 64 G HA2 -0.173 3.787 3.960 0.000 0.000 0.211 64 G HA3 -0.173 3.787 3.960 0.000 0.000 0.211 64 G C 1.405 176.279 174.900 -0.043 0.000 1.143 64 G CA 0.684 45.763 45.100 -0.036 0.000 0.788 64 G HN 0.500 nan 8.290 nan 0.000 0.534 65 S N -0.426 115.246 115.700 -0.046 0.000 2.496 65 S HA 0.223 4.693 4.470 0.000 0.000 0.224 65 S C 0.946 175.506 174.600 -0.066 0.000 0.996 65 S CA -0.326 57.846 58.200 -0.047 0.000 0.927 65 S CB -0.059 63.118 63.200 -0.039 0.000 0.774 65 S HN -0.009 nan 8.310 nan 0.000 0.524 66 L N 3.906 125.076 121.223 -0.088 0.000 2.483 66 L HA 0.371 4.711 4.340 0.000 0.000 0.276 66 L C 0.362 177.132 176.870 -0.168 0.000 1.213 66 L CA 0.332 55.093 54.840 -0.132 0.000 0.843 66 L CB 0.085 42.047 42.059 -0.162 0.000 1.107 66 L HN 0.652 nan 8.230 nan 0.000 0.487 67 N N -0.303 118.280 118.700 -0.195 0.000 3.038 67 N HA 0.334 5.074 4.740 0.000 0.000 0.307 67 N C -0.296 175.034 175.510 -0.301 0.000 1.441 67 N CA -0.520 52.414 53.050 -0.193 0.000 0.772 67 N CB 0.658 39.095 38.487 -0.084 0.000 1.651 67 N HN 0.420 nan 8.380 nan 0.000 0.593 68 H N -1.023 118.006 119.070 -0.068 0.000 2.512 68 H HA 0.292 4.848 4.556 0.000 0.000 0.276 68 H C -0.478 174.775 175.328 -0.124 0.000 1.126 68 H CA -0.272 55.723 56.048 -0.088 0.000 1.060 68 H CB 0.330 30.036 29.762 -0.094 0.000 1.646 68 H HN 0.483 nan 8.280 nan 0.000 0.571 69 E N 0.760 120.946 120.200 -0.024 0.000 2.404 69 E HA -0.036 4.314 4.350 0.000 0.000 0.261 69 E C -0.100 176.489 176.600 -0.018 0.000 1.074 69 E CA -0.104 56.258 56.400 -0.063 0.000 0.917 69 E CB 0.707 30.398 29.700 -0.017 0.000 0.965 69 E HN 0.177 nan 8.360 nan 0.000 0.433 70 Y N 0.841 121.159 120.300 0.030 0.000 2.903 70 Y HA -0.131 4.419 4.550 0.000 0.000 0.338 70 Y C 0.830 176.742 175.900 0.020 0.000 1.265 70 Y CA 0.354 58.471 58.100 0.028 0.000 1.532 70 Y CB -0.021 38.455 38.460 0.028 0.000 1.293 70 Y HN 0.306 nan 8.280 nan 0.000 0.609 71 L N 5.886 127.237 121.223 0.215 0.000 2.456 71 L HA 0.395 4.735 4.340 0.000 0.000 0.257 71 L C -1.905 175.029 176.870 0.106 0.000 1.162 71 L CA -2.126 52.783 54.840 0.115 0.000 0.808 71 L CB -0.166 41.940 42.059 0.079 0.000 1.136 71 L HN 0.475 nan 8.230 nan 0.000 0.466 72 P HA 0.163 nan 4.420 nan 0.000 0.269 72 P C 1.201 178.535 177.300 0.056 0.000 1.215 72 P CA -0.086 63.044 63.100 0.050 0.000 0.780 72 P CB 0.531 32.254 31.700 0.039 0.000 0.898 73 I N 0.815 121.405 120.570 0.032 0.000 2.145 73 I HA -0.282 3.888 4.170 0.000 0.000 0.244 73 I C 1.948 178.118 176.117 0.087 0.000 1.075 73 I CA 1.701 63.026 61.300 0.042 0.000 1.332 73 I CB -0.453 37.544 38.000 -0.006 0.000 1.033 73 I HN 0.350 nan 8.210 nan 0.000 0.410 74 L N 0.113 121.376 121.223 0.067 0.000 2.465 74 L HA 0.103 4.443 4.340 0.000 0.000 0.224 74 L C 1.008 177.951 176.870 0.122 0.000 1.145 74 L CA 0.435 55.326 54.840 0.084 0.000 0.834 74 L CB -0.906 41.181 42.059 0.045 0.000 0.944 74 L HN 0.537 nan 8.230 nan 0.000 0.451 75 G N -0.265 108.603 108.800 0.113 0.000 2.381 75 G HA2 -0.116 3.844 3.960 0.000 0.000 0.672 75 G HA3 -0.116 3.844 3.960 0.000 0.000 0.672 75 G C -1.065 173.890 174.900 0.092 0.000 1.324 75 G CA -0.969 44.200 45.100 0.115 0.000 0.975 75 G HN -0.106 nan 8.290 nan 0.000 0.593 76 L N 1.958 123.231 121.223 0.084 0.000 2.500 76 L HA 0.197 4.537 4.340 0.000 0.000 0.272 76 L C -0.663 176.267 176.870 0.100 0.000 1.149 76 L CA -1.444 53.434 54.840 0.064 0.000 0.897 76 L CB 1.415 43.489 42.059 0.024 0.000 1.178 76 L HN 0.417 nan 8.230 nan 0.000 0.473 77 P HA -0.203 nan 4.420 nan 0.000 0.215 77 P C 0.951 178.259 177.300 0.012 0.000 1.157 77 P CA 1.274 64.391 63.100 0.028 0.000 0.874 77 P CB 0.384 32.090 31.700 0.009 0.000 0.790 78 E N -1.882 118.323 120.200 0.009 0.000 2.153 78 E HA -0.152 4.198 4.350 0.000 0.000 0.194 78 E C 1.706 178.292 176.600 -0.023 0.000 0.988 78 E CA 0.742 57.130 56.400 -0.020 0.000 0.811 78 E CB -0.833 28.850 29.700 -0.029 0.000 0.746 78 E HN 0.243 nan 8.360 nan 0.000 0.466 79 F N 1.072 120.949 119.950 -0.122 0.000 2.128 79 F HA -0.064 4.463 4.527 0.000 0.000 0.295 79 F C 1.976 177.709 175.800 -0.111 0.000 1.100 79 F CA 1.268 59.170 58.000 -0.163 0.000 1.260 79 F CB 0.013 38.904 39.000 -0.181 0.000 1.009 79 F HN -0.173 nan 8.300 nan 0.000 0.476 80 R N 0.740 121.160 120.500 -0.133 0.000 2.097 80 R HA -0.222 4.118 4.340 0.000 0.000 0.236 80 R C 2.463 178.620 176.300 -0.239 0.000 1.135 80 R CA 1.648 57.630 56.100 -0.198 0.000 0.934 80 R CB -1.377 28.915 30.300 -0.012 0.000 0.846 80 R HN 0.450 nan 8.270 nan 0.000 0.431 81 A N 1.957 124.685 122.820 -0.154 0.000 1.859 81 A HA -0.220 4.100 4.320 0.000 0.000 0.217 81 A C 1.916 179.401 177.584 -0.164 0.000 1.198 81 A CA 1.817 53.776 52.037 -0.129 0.000 0.629 81 A CB -0.704 18.241 19.000 -0.092 0.000 0.830 81 A HN 0.366 nan 8.150 nan 0.000 0.446 82 N N 0.190 118.768 118.700 -0.204 0.000 2.120 82 N HA -0.130 4.610 4.740 0.000 0.000 0.188 82 N C 1.987 177.364 175.510 -0.222 0.000 1.024 82 N CA 1.439 54.362 53.050 -0.211 0.000 0.852 82 N CB -0.450 37.908 38.487 -0.216 0.000 1.003 82 N HN 0.501 nan 8.380 nan 0.000 0.424 83 A N 0.968 123.563 122.820 -0.376 0.000 1.883 83 A HA -0.108 4.212 4.320 0.000 0.000 0.217 83 A C 2.551 180.095 177.584 -0.066 0.000 1.186 83 A CA 1.690 53.587 52.037 -0.232 0.000 0.624 83 A CB -0.701 17.978 19.000 -0.535 0.000 0.822 83 A HN 0.235 nan 8.150 nan 0.000 0.444 84 S N -1.028 114.595 115.700 -0.127 0.000 2.382 84 S HA -0.159 4.311 4.470 0.000 0.000 0.228 84 S C 2.052 176.625 174.600 -0.046 0.000 1.027 84 S CA 1.344 59.501 58.200 -0.072 0.000 0.991 84 S CB -0.330 62.822 63.200 -0.080 0.000 0.823 84 S HN 0.665 nan 8.310 nan 0.000 0.469 85 R N 0.591 121.055 120.500 -0.059 0.000 2.091 85 R HA -0.091 4.249 4.340 0.000 0.000 0.238 85 R C 1.911 178.211 176.300 0.000 0.000 1.136 85 R CA 1.380 57.454 56.100 -0.043 0.000 0.959 85 R CB -0.342 29.913 30.300 -0.076 0.000 0.856 85 R HN 0.259 nan 8.270 nan 0.000 0.437 86 I N 0.855 121.449 120.570 0.041 0.000 2.315 86 I HA -0.156 4.014 4.170 0.000 0.000 0.248 86 I C 2.280 178.468 176.117 0.118 0.000 1.117 86 I CA 1.515 62.901 61.300 0.145 0.000 1.404 86 I CB -0.484 37.692 38.000 0.293 0.000 1.071 86 I HN 0.298 nan 8.210 nan 0.000 0.419 87 A N -0.317 122.537 122.820 0.057 0.000 1.897 87 A HA -0.026 4.294 4.320 0.000 0.000 0.215 87 A C 2.180 179.744 177.584 -0.034 0.000 1.181 87 A CA 1.211 53.249 52.037 0.002 0.000 0.620 87 A CB -0.624 18.353 19.000 -0.038 0.000 0.821 87 A HN 0.386 nan 8.150 nan 0.000 0.443 88 L N -1.376 119.827 121.223 -0.034 0.000 2.477 88 L HA 0.340 4.680 4.340 0.000 0.000 0.220 88 L C 1.080 177.932 176.870 -0.030 0.000 1.106 88 L CA 0.374 55.183 54.840 -0.051 0.000 0.851 88 L CB -0.569 41.460 42.059 -0.051 0.000 0.994 88 L HN 0.576 nan 8.230 nan 0.000 0.462 89 G N 0.507 109.306 108.800 -0.002 0.000 2.788 89 G HA2 -0.200 3.760 3.960 0.000 0.000 0.686 89 G HA3 -0.200 3.760 3.960 0.000 0.000 0.686 89 G C -0.382 174.520 174.900 0.003 0.000 1.147 89 G CA -0.343 44.766 45.100 0.014 0.000 0.755 89 G HN 0.130 nan 8.290 nan 0.000 0.634 90 D N 0.113 120.520 120.400 0.011 0.000 2.149 90 D HA -0.067 4.573 4.640 0.000 0.000 0.198 90 D C 2.092 178.390 176.300 -0.005 0.000 0.990 90 D CA 1.904 55.902 54.000 -0.004 0.000 0.839 90 D CB 0.130 40.931 40.800 0.003 0.000 0.948 90 D HN 0.670 nan 8.370 nan 0.000 0.460 91 D N -0.230 120.173 120.400 0.004 0.000 2.325 91 D HA -0.021 4.619 4.640 0.000 0.000 0.234 91 D C 0.033 176.330 176.300 -0.005 0.000 1.122 91 D CA -0.027 53.975 54.000 0.002 0.000 0.850 91 D CB -0.339 40.468 40.800 0.012 0.000 0.921 91 D HN -0.105 nan 8.370 nan 0.000 0.513 92 S N 1.934 117.627 115.700 -0.012 0.000 2.544 92 S HA 0.070 4.540 4.470 0.000 0.000 0.290 92 S C -1.258 173.331 174.600 -0.019 0.000 1.276 92 S CA -0.938 57.249 58.200 -0.021 0.000 1.075 92 S CB 1.161 64.344 63.200 -0.028 0.000 0.849 92 S HN 0.019 nan 8.310 nan 0.000 0.494 93 P HA 0.059 nan 4.420 nan 0.000 0.225 93 P C 1.130 178.420 177.300 -0.017 0.000 1.156 93 P CA 0.920 64.010 63.100 -0.017 0.000 0.787 93 P CB -0.098 31.591 31.700 -0.019 0.000 0.802 94 A N 0.034 122.842 122.820 -0.019 0.000 1.930 94 A HA -0.117 4.203 4.320 0.000 0.000 0.217 94 A C 2.285 179.860 177.584 -0.015 0.000 1.175 94 A CA 1.155 53.184 52.037 -0.014 0.000 0.627 94 A CB -1.460 17.532 19.000 -0.012 0.000 0.815 94 A HN 0.115 nan 8.150 nan 0.000 0.443 95 I N -0.462 120.096 120.570 -0.020 0.000 2.252 95 I HA -0.230 3.940 4.170 0.000 0.000 0.245 95 I C 2.963 179.069 176.117 -0.019 0.000 1.102 95 I CA 0.951 62.237 61.300 -0.023 0.000 1.385 95 I CB -0.315 37.668 38.000 -0.028 0.000 1.064 95 I HN 0.358 nan 8.210 nan 0.000 0.414 96 A N 0.146 122.956 122.820 -0.017 0.000 1.933 96 A HA -0.245 4.075 4.320 0.000 0.000 0.218 96 A C 2.105 179.681 177.584 -0.012 0.000 1.175 96 A CA 1.470 53.498 52.037 -0.014 0.000 0.628 96 A CB -0.560 18.433 19.000 -0.012 0.000 0.814 96 A HN 0.491 nan 8.150 nan 0.000 0.444 97 Q N -0.681 119.112 119.800 -0.011 0.000 2.444 97 Q HA 0.060 4.400 4.340 0.000 0.000 0.206 97 Q C -0.425 175.570 176.000 -0.008 0.000 0.948 97 Q CA 0.202 56.000 55.803 -0.009 0.000 0.946 97 Q CB 0.018 28.752 28.738 -0.007 0.000 1.027 97 Q HN 0.588 nan 8.270 nan 0.000 0.513 98 K N 0.370 120.763 120.400 -0.011 0.000 3.071 98 K HA -0.231 4.089 4.320 0.000 0.000 0.265 98 K C 0.014 176.608 176.600 -0.009 0.000 1.060 98 K CA 1.031 57.311 56.287 -0.013 0.000 0.767 98 K CB -1.394 31.098 32.500 -0.012 0.000 1.241 98 K HN 0.447 nan 8.250 nan 0.000 0.486 99 R N -0.568 119.929 120.500 -0.006 0.000 2.696 99 R HA 0.266 4.606 4.340 0.000 0.000 0.355 99 R C -0.306 175.997 176.300 0.004 0.000 1.138 99 R CA -0.506 55.596 56.100 0.002 0.000 1.059 99 R CB 0.575 30.881 30.300 0.010 0.000 1.380 99 R HN -0.035 nan 8.270 nan 0.000 0.578 100 V N 0.439 120.348 119.914 -0.008 0.000 2.540 100 V HA 0.699 4.819 4.120 0.000 0.000 0.302 100 V C 0.126 176.204 176.094 -0.026 0.000 1.035 100 V CA -0.758 61.534 62.300 -0.013 0.000 0.873 100 V CB 1.818 33.628 31.823 -0.021 0.000 0.992 100 V HN 0.432 nan 8.190 nan 0.000 0.428 101 G N 2.335 111.114 108.800 -0.035 0.000 2.524 101 G HA2 0.735 4.695 3.960 0.000 0.000 0.310 101 G HA3 0.735 4.695 3.960 0.000 0.000 0.310 101 G C -0.925 173.934 174.900 -0.068 0.000 1.279 101 G CA -0.563 44.505 45.100 -0.053 0.000 0.974 101 G HN 0.709 nan 8.290 nan 0.000 0.484 102 S N -0.587 115.077 115.700 -0.060 0.000 2.536 102 S HA 0.706 5.176 4.470 0.000 0.000 0.287 102 S C -0.856 173.735 174.600 -0.015 0.000 1.101 102 S CA -0.712 57.457 58.200 -0.052 0.000 0.950 102 S CB 2.147 65.310 63.200 -0.062 0.000 1.056 102 S HN 0.599 nan 8.310 nan 0.000 0.481 103 V N 2.483 122.404 119.914 0.011 0.000 2.483 103 V HA 0.397 4.517 4.120 0.000 0.000 0.297 103 V C -0.030 176.173 176.094 0.181 0.000 1.027 103 V CA -0.715 61.630 62.300 0.074 0.000 0.855 103 V CB 1.595 33.437 31.823 0.031 0.000 0.995 103 V HN 0.962 nan 8.190 nan 0.000 0.424 104 Q N 2.485 122.434 119.800 0.248 0.000 2.311 104 Q HA 0.481 4.821 4.340 0.000 0.000 0.272 104 Q C 0.215 176.380 176.000 0.275 0.000 1.012 104 Q CA 0.338 56.334 55.803 0.321 0.000 0.891 104 Q CB 1.034 29.908 28.738 0.226 0.000 1.201 104 Q HN 0.956 nan 8.270 nan 0.000 0.391 105 G N 2.849 111.771 108.800 0.204 0.000 2.569 105 G HA2 0.414 4.374 3.960 0.000 0.000 0.300 105 G HA3 0.414 4.374 3.960 0.000 0.000 0.300 105 G C -1.037 173.742 174.900 -0.201 0.000 1.269 105 G CA -0.748 44.430 45.100 0.130 0.000 0.959 105 G HN 0.593 nan 8.290 nan 0.000 0.478 106 L N 2.488 123.385 121.223 -0.542 0.000 2.395 106 L HA 0.348 4.688 4.340 0.000 0.000 0.268 106 L C 1.373 178.131 176.870 -0.187 0.000 1.223 106 L CA 1.398 55.922 54.840 -0.527 0.000 1.093 106 L CB -0.991 40.584 42.059 -0.806 0.000 1.349 106 L HN 1.165 nan 8.230 nan 0.000 0.427 107 G N 2.495 111.234 108.800 -0.102 0.000 2.796 107 G HA2 -0.230 3.731 3.960 0.000 0.000 0.226 107 G HA3 -0.230 3.731 3.960 0.000 0.000 0.226 107 G C 0.844 175.763 174.900 0.031 0.000 1.381 107 G CA -0.284 44.807 45.100 -0.015 0.000 0.867 107 G HN 0.663 nan 8.290 nan 0.000 0.552 108 G N -1.551 107.257 108.800 0.014 0.000 2.422 108 G HA2 0.080 4.040 3.960 0.000 0.000 0.218 108 G HA3 0.080 4.040 3.960 0.000 0.000 0.218 108 G C 1.864 176.834 174.900 0.117 0.000 1.140 108 G CA 2.344 47.457 45.100 0.023 0.000 0.775 108 G HN 1.237 nan 8.290 nan 0.000 0.545 109 T N 1.083 115.735 114.554 0.162 0.000 2.684 109 T HA -0.083 4.267 4.350 0.000 0.000 0.267 109 T C 2.512 177.351 174.700 0.232 0.000 1.036 109 T CA 1.523 63.784 62.100 0.268 0.000 1.148 109 T CB -0.641 68.411 68.868 0.307 0.000 0.863 109 T HN 0.343 nan 8.240 nan 0.000 0.436 110 G N 1.096 110.010 108.800 0.190 0.000 2.418 110 G HA2 -0.054 3.906 3.960 0.000 0.000 0.217 110 G HA3 -0.054 3.906 3.960 0.000 0.000 0.217 110 G C 1.850 176.982 174.900 0.387 0.000 1.158 110 G CA 0.950 46.229 45.100 0.298 0.000 0.771 110 G HN 0.592 nan 8.290 nan 0.000 0.545 111 A N 0.565 123.549 122.820 0.272 0.000 1.877 111 A HA 0.056 4.376 4.320 0.000 0.000 0.216 111 A C 2.457 180.226 177.584 0.310 0.000 1.186 111 A CA 1.396 53.596 52.037 0.270 0.000 0.620 111 A CB -0.471 18.656 19.000 0.211 0.000 0.822 111 A HN 0.354 nan 8.150 nan 0.000 0.443 112 L N -1.259 120.137 121.223 0.289 0.000 2.017 112 L HA -0.207 4.133 4.340 0.000 0.000 0.208 112 L C 2.780 179.746 176.870 0.160 0.000 1.073 112 L CA 1.773 56.766 54.840 0.255 0.000 0.745 112 L CB -0.392 41.775 42.059 0.180 0.000 0.894 112 L HN 0.376 nan 8.230 nan 0.000 0.432 113 R N 0.550 121.137 120.500 0.144 0.000 2.083 113 R HA -0.178 4.162 4.340 0.000 0.000 0.237 113 R C 2.071 178.439 176.300 0.113 0.000 1.137 113 R CA 1.783 57.930 56.100 0.079 0.000 0.951 113 R CB -0.558 29.823 30.300 0.136 0.000 0.851 113 R HN 0.162 nan 8.270 nan 0.000 0.434 114 I N 0.050 120.723 120.570 0.172 0.000 2.226 114 I HA -0.120 4.050 4.170 0.000 0.000 0.245 114 I C 2.244 178.491 176.117 0.216 0.000 1.100 114 I CA 1.817 63.193 61.300 0.128 0.000 1.374 114 I CB -1.781 36.279 38.000 0.099 0.000 1.057 114 I HN 0.421 nan 8.210 nan 0.000 0.413 115 G N 0.652 109.633 108.800 0.303 0.000 2.421 115 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 115 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 115 G C 1.886 177.210 174.900 0.706 0.000 1.171 115 G CA 1.073 46.465 45.100 0.487 0.000 0.775 115 G HN 0.488 nan 8.290 nan 0.000 0.543 116 A N 0.805 123.913 122.820 0.479 0.000 1.883 116 A HA -0.063 4.257 4.320 0.000 0.000 0.217 116 A C 2.234 180.030 177.584 0.355 0.000 1.186 116 A CA 1.998 54.212 52.037 0.295 0.000 0.624 116 A CB -0.381 18.331 19.000 -0.479 0.000 0.822 116 A HN 0.321 nan 8.150 nan 0.000 0.444 117 E N -1.039 119.284 120.200 0.204 0.000 2.085 117 E HA -0.197 4.153 4.350 0.000 0.000 0.194 117 E C 1.785 178.495 176.600 0.183 0.000 0.994 117 E CA 1.293 57.767 56.400 0.124 0.000 0.801 117 E CB -0.473 29.268 29.700 0.069 0.000 0.743 117 E HN 0.725 nan 8.360 nan 0.000 0.453 118 F N 1.615 121.698 119.950 0.221 0.000 2.075 118 F HA -0.172 4.355 4.527 -0.000 0.000 0.297 118 F C 2.231 178.239 175.800 0.347 0.000 1.113 118 F CA 1.235 59.426 58.000 0.318 0.000 1.218 118 F CB -0.363 38.851 39.000 0.358 0.000 0.984 118 F HN -0.105 nan 8.300 nan 0.000 0.472 119 L N 0.276 121.771 121.223 0.453 0.000 2.042 119 L HA -0.258 4.082 4.340 0.000 0.000 0.210 119 L C 2.769 179.784 176.870 0.241 0.000 1.076 119 L CA 1.795 56.840 54.840 0.340 0.000 0.749 119 L CB -0.850 41.467 42.059 0.430 0.000 0.893 119 L HN 0.143 nan 8.230 nan 0.000 0.432 120 R N 0.440 121.026 120.500 0.142 0.000 2.127 120 R HA -0.163 4.177 4.340 0.000 0.000 0.238 120 R C 2.339 178.432 176.300 -0.346 0.000 1.134 120 R CA 1.482 57.385 56.100 -0.328 0.000 0.975 120 R CB -0.005 29.890 30.300 -0.674 0.000 0.865 120 R HN 0.358 nan 8.270 nan 0.000 0.447 121 R N -1.858 118.391 120.500 -0.419 0.000 2.140 121 R HA -0.033 4.307 4.340 0.000 0.000 0.213 121 R C 0.935 176.674 176.300 -0.934 0.000 1.059 121 R CA 1.372 57.015 56.100 -0.762 0.000 1.000 121 R CB 0.170 29.831 30.300 -1.065 0.000 0.910 121 R HN 0.292 nan 8.270 nan 0.000 0.455 122 W N -1.775 119.290 121.300 -0.392 0.000 2.534 122 W HA 0.231 4.891 4.660 -0.000 0.000 0.339 122 W C -0.284 176.116 176.519 -0.198 0.000 0.961 122 W CA -0.834 56.288 57.345 -0.371 0.000 1.545 122 W CB 0.523 29.578 29.460 -0.674 0.000 1.104 122 W HN -0.103 nan 8.180 nan 0.000 0.538 123 Y N 2.136 122.388 120.300 -0.080 0.000 2.387 123 Y HA 0.363 4.913 4.550 0.000 0.000 0.336 123 Y C 0.892 176.772 175.900 -0.034 0.000 1.067 123 Y CA -1.330 56.754 58.100 -0.027 0.000 1.114 123 Y CB 0.834 39.263 38.460 -0.051 0.000 1.208 123 Y HN 0.035 nan 8.280 nan 0.000 0.458 124 N N 2.881 121.086 118.700 -0.825 0.000 2.735 124 N HA -0.125 4.615 4.740 0.000 0.000 0.248 124 N C -0.366 174.946 175.510 -0.330 0.000 1.083 124 N CA 1.663 54.279 53.050 -0.723 0.000 0.703 124 N CB -1.167 36.893 38.487 -0.713 0.000 1.005 124 N HN 1.551 nan 8.380 nan 0.000 0.550 125 G N -0.868 107.793 108.800 -0.232 0.000 2.352 125 G HA2 -0.075 3.885 3.960 0.000 0.000 0.324 125 G HA3 -0.075 3.885 3.960 0.000 0.000 0.324 125 G C -1.092 173.744 174.900 -0.107 0.000 1.249 125 G CA -0.318 44.698 45.100 -0.141 0.000 1.053 125 G HN 0.490 nan 8.290 nan 0.000 0.492 126 N N 1.323 119.950 118.700 -0.122 0.000 2.407 126 N HA 0.545 5.285 4.740 0.000 0.000 0.277 126 N C 0.369 175.736 175.510 -0.238 0.000 0.995 126 N CA -0.358 52.575 53.050 -0.195 0.000 0.903 126 N CB 0.971 39.367 38.487 -0.152 0.000 1.218 126 N HN 0.714 nan 8.380 nan 0.000 0.487 127 N N 1.194 119.693 118.700 -0.334 0.000 2.735 127 N HA -0.244 4.496 4.740 0.000 0.000 0.248 127 N C -1.020 174.361 175.510 -0.215 0.000 1.083 127 N CA 0.394 53.262 53.050 -0.305 0.000 0.703 127 N CB -0.826 37.489 38.487 -0.285 0.000 1.005 127 N HN 0.586 nan 8.380 nan 0.000 0.550 128 N N 0.996 119.594 118.700 -0.170 0.000 2.482 128 N HA 0.094 4.834 4.740 0.000 0.000 0.242 128 N C 1.160 176.624 175.510 -0.077 0.000 1.100 128 N CA 0.196 53.190 53.050 -0.093 0.000 0.946 128 N CB 0.396 38.852 38.487 -0.052 0.000 1.227 128 N HN 0.228 nan 8.380 nan 0.000 0.508 129 T N -0.421 114.061 114.554 -0.120 0.000 3.148 129 T HA 0.146 4.496 4.350 0.000 0.000 0.253 129 T C 1.281 176.025 174.700 0.072 0.000 1.134 129 T CA 0.367 62.381 62.100 -0.142 0.000 1.051 129 T CB 0.107 68.875 68.868 -0.166 0.000 0.959 129 T HN 0.323 nan 8.240 nan 0.000 0.525 130 A N 1.134 124.011 122.820 0.096 0.000 2.238 130 A HA 0.316 4.636 4.320 0.000 0.000 0.210 130 A C 1.241 178.938 177.584 0.188 0.000 1.179 130 A CA -0.159 51.952 52.037 0.123 0.000 0.827 130 A CB -0.462 18.579 19.000 0.069 0.000 0.856 130 A HN 0.443 nan 8.150 nan 0.000 0.488 131 T N 3.953 118.675 114.554 0.280 0.000 2.831 131 T HA 0.288 4.638 4.350 0.000 0.000 0.291 131 T C -2.541 172.299 174.700 0.233 0.000 0.981 131 T CA -0.325 61.952 62.100 0.294 0.000 1.174 131 T CB 0.425 69.540 68.868 0.411 0.000 0.929 131 T HN 0.188 nan 8.240 nan 0.000 0.532 132 P HA 0.241 nan 4.420 nan 0.000 0.271 132 P C -0.879 176.403 177.300 -0.030 0.000 1.216 132 P CA -0.352 62.780 63.100 0.053 0.000 0.776 132 P CB 0.521 32.278 31.700 0.095 0.000 0.881 133 V N 4.684 124.466 119.914 -0.219 0.000 2.378 133 V HA 0.276 4.396 4.120 0.000 0.000 0.288 133 V C -0.620 175.232 176.094 -0.404 0.000 1.016 133 V CA -0.463 61.626 62.300 -0.353 0.000 0.840 133 V CB 0.408 31.916 31.823 -0.524 0.000 0.994 133 V HN 0.378 nan 8.190 nan 0.000 0.431 134 Y N 3.912 123.880 120.300 -0.554 0.000 2.330 134 Y HA 0.642 5.192 4.550 0.000 0.000 0.336 134 Y C 0.313 176.050 175.900 -0.272 0.000 1.036 134 Y CA -0.743 57.062 58.100 -0.491 0.000 1.125 134 Y CB 1.995 39.836 38.460 -1.033 0.000 1.194 134 Y HN 0.539 nan 8.280 nan 0.000 0.469 135 V N 0.094 119.940 119.914 -0.113 0.000 2.815 135 V HA 0.764 4.884 4.120 0.000 0.000 0.314 135 V C 0.019 175.815 176.094 -0.496 0.000 1.064 135 V CA -1.187 61.014 62.300 -0.166 0.000 0.952 135 V CB 1.451 33.209 31.823 -0.107 0.000 1.020 135 V HN 0.785 nan 8.190 nan 0.000 0.439 136 S N 2.144 117.463 115.700 -0.635 0.000 2.584 136 S HA 0.393 4.863 4.470 0.000 0.000 0.270 136 S C 0.284 174.680 174.600 -0.339 0.000 1.346 136 S CA 0.131 57.786 58.200 -0.907 0.000 1.018 136 S CB 1.165 63.973 63.200 -0.654 0.000 0.899 136 S HN 1.537 nan 8.310 nan 0.000 0.542 137 S N 3.117 118.706 115.700 -0.186 0.000 2.532 137 S HA 0.556 5.026 4.470 0.000 0.000 0.318 137 S C -2.414 172.238 174.600 0.086 0.000 1.083 137 S CA -1.598 56.593 58.200 -0.015 0.000 1.131 137 S CB 0.258 63.482 63.200 0.040 0.000 0.973 137 S HN 0.704 nan 8.310 nan 0.000 0.468 138 P HA 0.578 nan 4.420 nan 0.000 0.301 138 P C -0.369 176.893 177.300 -0.063 0.000 1.309 138 P CA -0.417 62.659 63.100 -0.040 0.000 0.782 138 P CB 1.357 33.014 31.700 -0.070 0.000 1.282 139 T N -2.300 112.226 114.554 -0.046 0.000 2.731 139 T HA 0.363 4.713 4.350 0.000 0.000 0.300 139 T C -1.940 172.771 174.700 0.018 0.000 1.283 139 T CA -0.472 61.638 62.100 0.016 0.000 1.005 139 T CB 0.190 69.198 68.868 0.234 0.000 1.420 139 T HN 0.336 nan 8.240 nan 0.000 0.503 140 W N 3.325 124.506 121.300 -0.199 0.000 2.381 140 W HA 0.271 4.931 4.660 -0.000 0.000 0.321 140 W C 1.317 177.669 176.519 -0.279 0.000 1.407 140 W CA -0.632 56.519 57.345 -0.324 0.000 1.274 140 W CB 0.425 29.578 29.460 -0.512 0.000 1.310 140 W HN 0.895 nan 8.180 nan 0.000 0.551 141 E N 2.523 122.441 120.200 -0.469 0.000 2.147 141 E HA -0.380 3.970 4.350 0.000 0.000 0.199 141 E C 1.472 177.755 176.600 -0.528 0.000 1.005 141 E CA 2.229 58.376 56.400 -0.422 0.000 0.810 141 E CB -0.785 28.722 29.700 -0.321 0.000 0.736 141 E HN 0.502 nan 8.360 nan 0.000 0.460 142 N N -0.124 117.938 118.700 -1.063 0.000 2.520 142 N HA -0.108 4.632 4.740 0.000 0.000 0.185 142 N C 1.207 176.484 175.510 -0.389 0.000 1.068 142 N CA 0.927 53.432 53.050 -0.908 0.000 0.911 142 N CB -0.212 37.374 38.487 -1.503 0.000 0.961 142 N HN 0.535 nan 8.380 nan 0.000 0.446 143 H N -0.718 118.240 119.070 -0.187 0.000 2.293 143 H HA -0.050 4.506 4.556 0.000 0.000 0.300 143 H C 1.455 176.856 175.328 0.121 0.000 1.082 143 H CA 1.531 57.640 56.048 0.102 0.000 1.308 143 H CB 0.074 29.893 29.762 0.094 0.000 1.375 143 H HN 0.300 nan 8.280 nan 0.000 0.495 144 N N 0.241 119.022 118.700 0.134 0.000 2.036 144 N HA -0.164 4.576 4.740 0.000 0.000 0.195 144 N C 2.012 177.592 175.510 0.117 0.000 1.037 144 N CA 1.665 54.770 53.050 0.091 0.000 0.855 144 N CB -0.330 38.162 38.487 0.009 0.000 1.033 144 N HN 0.146 nan 8.380 nan 0.000 0.423 145 S N 0.008 115.728 115.700 0.034 0.000 2.359 145 S HA -0.102 4.368 4.470 0.000 0.000 0.224 145 S C 2.182 176.812 174.600 0.049 0.000 1.035 145 S CA 0.989 59.196 58.200 0.012 0.000 1.018 145 S CB -0.535 62.627 63.200 -0.064 0.000 0.876 145 S HN 0.106 nan 8.310 nan 0.000 0.448 146 V N 0.964 120.918 119.914 0.067 0.000 2.295 146 V HA -0.158 3.962 4.120 0.000 0.000 0.246 146 V C 1.961 178.031 176.094 -0.040 0.000 1.049 146 V CA 1.741 64.050 62.300 0.016 0.000 1.024 146 V CB -0.808 31.025 31.823 0.016 0.000 0.648 146 V HN 0.401 nan 8.190 nan 0.000 0.447 147 F N -0.964 119.047 119.950 0.101 0.000 2.186 147 F HA -0.104 4.423 4.527 0.000 0.000 0.299 147 F C 2.400 178.335 175.800 0.224 0.000 1.090 147 F CA 1.461 59.569 58.000 0.180 0.000 1.307 147 F CB -0.495 38.537 39.000 0.054 0.000 1.019 147 F HN 0.053 nan 8.300 nan 0.000 0.489 148 M N -0.362 119.393 119.600 0.259 0.000 2.132 148 M HA -0.211 4.269 4.480 0.000 0.000 0.263 148 M C 1.637 177.998 176.300 0.102 0.000 1.065 148 M CA 1.584 56.985 55.300 0.168 0.000 1.122 148 M CB -0.507 32.155 32.600 0.103 0.000 1.365 148 M HN -0.036 nan 8.290 nan 0.000 0.411 149 D N 0.599 121.040 120.400 0.068 0.000 2.178 149 D HA -0.075 4.565 4.640 0.000 0.000 0.201 149 D C 1.795 178.101 176.300 0.010 0.000 0.980 149 D CA 1.320 55.336 54.000 0.027 0.000 0.842 149 D CB -0.084 40.726 40.800 0.017 0.000 0.948 149 D HN 0.325 nan 8.370 nan 0.000 0.472 150 A N -0.717 122.117 122.820 0.024 0.000 2.168 150 A HA 0.342 4.662 4.320 0.000 0.000 0.215 150 A C 1.849 179.384 177.584 -0.083 0.000 1.152 150 A CA 1.513 53.545 52.037 -0.007 0.000 0.716 150 A CB -0.055 18.965 19.000 0.034 0.000 0.794 150 A HN 0.301 nan 8.150 nan 0.000 0.465 151 G N -2.650 106.120 108.800 -0.050 0.000 2.229 151 G HA2 -0.156 3.804 3.960 0.000 0.000 0.189 151 G HA3 -0.156 3.804 3.960 0.000 0.000 0.189 151 G C -0.026 174.780 174.900 -0.157 0.000 1.000 151 G CA -0.235 44.779 45.100 -0.144 0.000 0.663 151 G HN 0.254 nan 8.290 nan 0.000 0.493 152 F N 1.746 121.737 119.950 0.068 0.000 2.495 152 F HA 0.458 4.985 4.527 -0.000 0.000 0.365 152 F C 1.645 177.475 175.800 0.051 0.000 1.090 152 F CA 0.409 58.459 58.000 0.084 0.000 1.235 152 F CB 1.189 40.287 39.000 0.162 0.000 1.119 152 F HN 0.023 nan 8.300 nan 0.000 0.562 153 K N 0.072 120.591 120.400 0.199 0.000 2.361 153 K HA 0.061 4.381 4.320 0.000 0.000 0.194 153 K C -0.247 176.404 176.600 0.086 0.000 1.032 153 K CA 0.178 56.530 56.287 0.108 0.000 1.048 153 K CB 0.358 32.892 32.500 0.056 0.000 0.842 153 K HN 0.308 nan 8.250 nan 0.000 0.526 154 D N 1.579 122.041 120.400 0.102 0.000 2.462 154 D HA 0.169 4.809 4.640 0.000 0.000 0.249 154 D C -1.026 175.236 176.300 -0.062 0.000 1.117 154 D CA -0.468 53.542 54.000 0.016 0.000 0.900 154 D CB 0.509 41.322 40.800 0.021 0.000 1.039 154 D HN -0.050 nan 8.370 nan 0.000 0.516 155 I N 3.744 124.262 120.570 -0.085 0.000 2.321 155 I HA 0.402 4.572 4.170 0.000 0.000 0.291 155 I C 0.829 176.802 176.117 -0.241 0.000 0.998 155 I CA -0.507 60.696 61.300 -0.162 0.000 1.227 155 I CB 0.999 38.950 38.000 -0.082 0.000 1.368 155 I HN 0.132 nan 8.210 nan 0.000 0.466 156 R N 3.408 123.651 120.500 -0.428 0.000 2.939 156 R HA 0.768 5.108 4.340 0.000 0.000 0.254 156 R C -0.253 175.837 176.300 -0.351 0.000 1.123 156 R CA -0.804 55.006 56.100 -0.483 0.000 1.020 156 R CB 2.065 31.783 30.300 -0.970 0.000 1.206 156 R HN 0.688 nan 8.270 nan 0.000 0.491 157 T N -1.522 112.933 114.554 -0.165 0.000 2.908 157 T HA 0.562 4.912 4.350 0.000 0.000 0.290 157 T C -0.804 174.036 174.700 0.233 0.000 1.034 157 T CA -0.889 61.192 62.100 -0.031 0.000 1.010 157 T CB 1.057 69.898 68.868 -0.044 0.000 1.068 157 T HN 0.553 nan 8.240 nan 0.000 0.481 158 Y N -0.558 119.905 120.300 0.272 0.000 2.409 158 Y HA 0.756 5.306 4.550 0.000 0.000 0.339 158 Y C 0.341 176.388 175.900 0.245 0.000 1.033 158 Y CA -1.673 56.621 58.100 0.323 0.000 1.094 158 Y CB 0.992 39.706 38.460 0.424 0.000 1.210 158 Y HN 0.631 nan 8.280 nan 0.000 0.456 159 R N 1.734 122.438 120.500 0.339 0.000 2.698 159 R HA 0.043 4.383 4.340 0.000 0.000 0.266 159 R C -0.795 175.692 176.300 0.312 0.000 1.026 159 R CA 0.696 56.934 56.100 0.231 0.000 1.102 159 R CB 0.222 30.611 30.300 0.149 0.000 0.978 159 R HN 0.967 nan 8.270 nan 0.000 0.436 160 Y N 0.969 121.314 120.300 0.075 0.000 3.341 160 Y HA 0.095 4.645 4.550 0.000 0.000 0.179 160 Y C -0.709 175.223 175.900 0.053 0.000 0.929 160 Y CA -0.149 57.975 58.100 0.040 0.000 1.758 160 Y CB 0.398 38.816 38.460 -0.069 0.000 1.446 160 Y HN 0.611 nan 8.280 nan 0.000 0.337 161 W N 4.081 125.387 121.300 0.011 0.000 2.315 161 W HA 0.323 4.983 4.660 0.000 0.000 0.316 161 W C -1.045 175.447 176.519 -0.045 0.000 1.211 161 W CA -0.133 57.177 57.345 -0.060 0.000 1.201 161 W CB 1.112 30.562 29.460 -0.017 0.000 1.184 161 W HN 0.139 nan 8.180 nan 0.000 0.544 162 D N 4.532 124.551 120.400 -0.635 0.000 2.454 162 D HA 0.318 4.958 4.640 0.000 0.000 0.225 162 D C 0.960 176.614 176.300 -1.077 0.000 1.081 162 D CA 0.029 53.643 54.000 -0.643 0.000 0.864 162 D CB 1.624 42.151 40.800 -0.456 0.000 1.040 162 D HN 0.484 nan 8.370 nan 0.000 0.517 163 A N 3.578 125.950 122.820 -0.747 0.000 1.972 163 A HA -0.070 4.250 4.320 0.000 0.000 0.219 163 A C 2.011 179.361 177.584 -0.389 0.000 1.169 163 A CA 1.833 53.569 52.037 -0.501 0.000 0.635 163 A CB -0.197 18.755 19.000 -0.079 0.000 0.810 163 A HN 0.591 nan 8.150 nan 0.000 0.446 164 A N 0.435 123.061 122.820 -0.324 0.000 1.872 164 A HA -0.104 4.216 4.320 0.000 0.000 0.214 164 A C 2.130 179.538 177.584 -0.294 0.000 1.187 164 A CA 1.744 53.632 52.037 -0.248 0.000 0.614 164 A CB -0.347 18.548 19.000 -0.176 0.000 0.826 164 A HN 0.583 nan 8.150 nan 0.000 0.442 165 K N -1.332 118.857 120.400 -0.352 0.000 2.365 165 K HA -0.020 4.300 4.320 0.000 0.000 0.197 165 K C -0.201 176.148 176.600 -0.419 0.000 1.042 165 K CA 0.383 56.474 56.287 -0.326 0.000 0.987 165 K CB 0.073 32.414 32.500 -0.265 0.000 0.779 165 K HN 0.252 nan 8.250 nan 0.000 0.484 166 R N 0.429 120.528 120.500 -0.667 0.000 3.332 166 R HA -0.132 4.208 4.340 0.000 0.000 0.263 166 R C 0.077 176.052 176.300 -0.542 0.000 1.053 166 R CA 0.856 56.481 56.100 -0.791 0.000 0.705 166 R CB -2.041 27.918 30.300 -0.568 0.000 1.166 166 R HN 0.696 nan 8.270 nan 0.000 0.427 167 G N -0.935 107.455 108.800 -0.683 0.000 2.561 167 G HA2 0.382 4.342 3.960 0.000 0.000 0.310 167 G HA3 0.382 4.342 3.960 0.000 0.000 0.310 167 G C -1.027 173.701 174.900 -0.288 0.000 1.292 167 G CA -0.933 44.020 45.100 -0.246 0.000 0.811 167 G HN 0.064 nan 8.290 nan 0.000 0.482 168 L N 1.363 122.446 121.223 -0.234 0.000 2.410 168 L HA 0.262 4.602 4.340 0.000 0.000 0.273 168 L C -0.440 176.245 176.870 -0.309 0.000 1.144 168 L CA -0.103 54.519 54.840 -0.365 0.000 0.863 168 L CB 1.019 42.855 42.059 -0.373 0.000 1.140 168 L HN 0.588 nan 8.230 nan 0.000 0.463 169 D N 5.183 125.404 120.400 -0.298 0.000 2.631 169 D HA 0.039 4.679 4.640 0.000 0.000 0.227 169 D C 1.262 177.465 176.300 -0.162 0.000 1.146 169 D CA -0.117 53.765 54.000 -0.197 0.000 1.009 169 D CB 0.297 41.015 40.800 -0.136 0.000 1.057 169 D HN 0.558 nan 8.370 nan 0.000 0.509 170 L N 1.661 122.781 121.223 -0.172 0.000 2.013 170 L HA -0.228 4.112 4.340 0.000 0.000 0.212 170 L C 1.959 178.777 176.870 -0.087 0.000 1.073 170 L CA 1.425 56.181 54.840 -0.142 0.000 0.753 170 L CB -0.034 41.945 42.059 -0.133 0.000 0.890 170 L HN 0.456 nan 8.230 nan 0.000 0.432 171 Q N -0.811 118.944 119.800 -0.074 0.000 2.084 171 Q HA -0.169 4.171 4.340 0.000 0.000 0.202 171 Q C 2.047 178.033 176.000 -0.023 0.000 0.978 171 Q CA 1.692 57.467 55.803 -0.047 0.000 0.844 171 Q CB -0.485 28.226 28.738 -0.045 0.000 0.898 171 Q HN 0.637 nan 8.270 nan 0.000 0.426 172 G N 1.357 110.146 108.800 -0.017 0.000 2.402 172 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 172 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 172 G C 1.517 176.457 174.900 0.066 0.000 1.162 172 G CA 0.517 45.632 45.100 0.024 0.000 0.777 172 G HN 0.297 nan 8.290 nan 0.000 0.539 173 L N 0.035 121.293 121.223 0.059 0.000 2.017 173 L HA 0.019 4.359 4.340 0.000 0.000 0.208 173 L C 2.809 179.694 176.870 0.025 0.000 1.073 173 L CA 1.116 56.022 54.840 0.110 0.000 0.745 173 L CB -0.179 41.920 42.059 0.067 0.000 0.894 173 L HN 0.197 nan 8.230 nan 0.000 0.432 174 L N -0.233 120.976 121.223 -0.024 0.000 2.046 174 L HA -0.245 4.095 4.340 0.000 0.000 0.208 174 L C 2.303 179.156 176.870 -0.029 0.000 1.077 174 L CA 1.584 56.393 54.840 -0.052 0.000 0.747 174 L CB -0.803 41.227 42.059 -0.049 0.000 0.896 174 L HN 0.392 nan 8.230 nan 0.000 0.432 175 D N 0.175 120.577 120.400 0.004 0.000 2.123 175 D HA -0.225 4.415 4.640 0.000 0.000 0.196 175 D C 1.728 178.058 176.300 0.050 0.000 0.992 175 D CA 1.359 55.373 54.000 0.022 0.000 0.833 175 D CB 0.043 40.860 40.800 0.030 0.000 0.954 175 D HN 0.189 nan 8.370 nan 0.000 0.455 176 D N -0.660 119.794 120.400 0.091 0.000 2.144 176 D HA -0.118 4.522 4.640 0.000 0.000 0.199 176 D C 2.124 178.482 176.300 0.096 0.000 0.984 176 D CA 0.714 54.813 54.000 0.165 0.000 0.834 176 D CB -0.192 40.788 40.800 0.299 0.000 0.955 176 D HN 0.392 nan 8.370 nan 0.000 0.465 177 M N 0.258 119.841 119.600 -0.028 0.000 2.200 177 M HA -0.085 4.395 4.480 0.000 0.000 0.265 177 M C 1.930 178.163 176.300 -0.112 0.000 1.066 177 M CA 0.876 56.058 55.300 -0.198 0.000 1.127 177 M CB 0.064 32.427 32.600 -0.395 0.000 1.379 177 M HN -0.137 nan 8.290 nan 0.000 0.420 178 E N 0.870 121.036 120.200 -0.056 0.000 2.085 178 E HA -0.187 4.163 4.350 0.000 0.000 0.194 178 E C 1.663 178.267 176.600 0.007 0.000 0.994 178 E CA 1.422 57.805 56.400 -0.028 0.000 0.801 178 E CB -0.205 29.488 29.700 -0.012 0.000 0.743 178 E HN 0.395 nan 8.360 nan 0.000 0.453 179 K N 0.197 120.621 120.400 0.041 0.000 2.444 179 K HA 0.147 4.467 4.320 0.000 0.000 0.193 179 K C 0.363 177.035 176.600 0.120 0.000 1.024 179 K CA 0.176 56.511 56.287 0.079 0.000 1.077 179 K CB 0.531 33.089 32.500 0.097 0.000 0.833 179 K HN -0.007 nan 8.250 nan 0.000 0.517 180 A N 2.434 125.313 122.820 0.098 0.000 2.401 180 A HA 0.311 4.631 4.320 0.000 0.000 0.259 180 A C -2.361 175.310 177.584 0.145 0.000 1.103 180 A CA -1.446 50.677 52.037 0.143 0.000 0.789 180 A CB -0.045 18.930 19.000 -0.042 0.000 1.035 180 A HN -0.042 nan 8.150 nan 0.000 0.491 181 P HA 0.129 nan 4.420 nan 0.000 0.269 181 P C -0.325 177.075 177.300 0.167 0.000 1.209 181 P CA -0.006 63.199 63.100 0.175 0.000 0.776 181 P CB 0.346 32.168 31.700 0.204 0.000 0.876 182 E N 1.374 121.641 120.200 0.111 0.000 2.442 182 E HA -0.007 4.343 4.350 0.000 0.000 0.262 182 E C -0.140 176.566 176.600 0.177 0.000 1.004 182 E CA 0.394 56.797 56.400 0.004 0.000 0.928 182 E CB -0.291 29.352 29.700 -0.096 0.000 0.937 182 E HN 0.366 nan 8.360 nan 0.000 0.446 183 F N -0.850 119.221 119.950 0.202 0.000 2.656 183 F HA -0.290 4.237 4.527 -0.000 0.000 0.381 183 F C 0.742 176.772 175.800 0.383 0.000 0.603 183 F CA 0.521 58.686 58.000 0.275 0.000 1.335 183 F CB -1.947 37.116 39.000 0.104 0.000 1.836 183 F HN 0.229 nan 8.300 nan 0.000 0.290 184 S N 1.115 117.083 115.700 0.447 0.000 2.566 184 S HA 0.405 4.875 4.470 0.000 0.000 0.280 184 S C 0.435 175.319 174.600 0.473 0.000 1.343 184 S CA -0.192 58.269 58.200 0.436 0.000 1.036 184 S CB 0.734 64.196 63.200 0.437 0.000 0.866 184 S HN 0.219 nan 8.310 nan 0.000 0.526 185 I N 2.527 123.274 120.570 0.296 0.000 2.353 185 I HA 0.328 4.498 4.170 0.000 0.000 0.293 185 I C -0.885 175.298 176.117 0.111 0.000 0.992 185 I CA -0.127 61.316 61.300 0.238 0.000 1.268 185 I CB 0.631 38.627 38.000 -0.007 0.000 1.387 185 I HN 0.412 nan 8.210 nan 0.000 0.478 186 F N 6.531 126.533 119.950 0.087 0.000 2.449 186 F HA 0.433 4.960 4.527 0.000 0.000 0.342 186 F C -0.027 175.745 175.800 -0.048 0.000 1.127 186 F CA -0.757 57.256 58.000 0.021 0.000 0.975 186 F CB 1.324 40.256 39.000 -0.113 0.000 1.146 186 F HN 0.126 nan 8.300 nan 0.000 0.444 187 I N 5.880 126.458 120.570 0.014 0.000 2.322 187 I HA 0.236 4.406 4.170 0.000 0.000 0.292 187 I C -0.290 175.863 176.117 0.059 0.000 1.060 187 I CA -0.316 60.882 61.300 -0.170 0.000 1.309 187 I CB 0.166 37.821 38.000 -0.575 0.000 1.415 187 I HN 0.413 nan 8.210 nan 0.000 0.492 188 L N 6.396 127.616 121.223 -0.006 0.000 2.322 188 L HA 0.421 4.761 4.340 0.000 0.000 0.281 188 L C 0.325 177.383 176.870 0.312 0.000 1.014 188 L CA -0.643 54.300 54.840 0.171 0.000 0.815 188 L CB 1.375 43.285 42.059 -0.250 0.000 1.247 188 L HN 0.451 nan 8.230 nan 0.000 0.421 189 H N 2.353 121.654 119.070 0.385 0.000 2.668 189 H HA 0.153 4.709 4.556 -0.000 0.000 0.303 189 H C 0.668 176.332 175.328 0.559 0.000 1.074 189 H CA -0.190 56.102 56.048 0.408 0.000 1.406 189 H CB 1.837 31.806 29.762 0.344 0.000 1.442 189 H HN 0.891 nan 8.280 nan 0.000 0.482 190 A N 3.878 127.029 122.820 0.551 0.000 1.908 190 A HA -0.114 4.206 4.320 0.000 0.000 0.218 190 A C 1.181 179.000 177.584 0.391 0.000 1.181 190 A CA 1.562 53.814 52.037 0.359 0.000 0.627 190 A CB -0.367 18.692 19.000 0.099 0.000 0.818 190 A HN 0.863 nan 8.150 nan 0.000 0.445 191 C N -6.735 112.821 119.300 0.427 0.000 3.253 191 C HA 0.673 5.133 4.460 0.000 0.000 0.342 191 C C 0.501 175.708 174.990 0.361 0.000 1.306 191 C CA -0.683 58.576 59.018 0.402 0.000 1.207 191 C CB 0.791 28.711 27.740 0.299 0.000 1.479 191 C HN 2.276 nan 8.230 nan 0.000 0.469 192 A N 1.144 124.130 122.820 0.277 0.000 2.519 192 A HA -0.112 4.208 4.320 0.000 0.000 0.297 192 A C 0.359 178.040 177.584 0.162 0.000 1.472 192 A CA 1.323 53.443 52.037 0.139 0.000 0.739 192 A CB -2.321 16.648 19.000 -0.052 0.000 1.096 192 A HN 2.270 nan 8.150 nan 0.000 0.414 193 H N 0.595 119.744 119.070 0.131 0.000 3.173 193 H HA 0.079 4.635 4.556 0.000 0.000 0.311 193 H C 0.264 175.568 175.328 -0.041 0.000 0.972 193 H CA 1.708 57.742 56.048 -0.023 0.000 1.384 193 H CB 0.400 30.083 29.762 -0.131 0.000 1.349 193 H HN 0.694 nan 8.280 nan 0.000 0.582 194 N N 6.794 125.200 118.700 -0.489 0.000 2.446 194 N HA 0.180 4.920 4.740 0.000 0.000 0.265 194 N C -2.342 172.856 175.510 -0.520 0.000 0.975 194 N CA -2.279 50.610 53.050 -0.268 0.000 0.928 194 N CB 1.681 40.180 38.487 0.019 0.000 1.160 194 N HN 0.384 nan 8.380 nan 0.000 0.495 195 P HA 0.153 nan 4.420 nan 0.000 0.282 195 P C 0.645 177.790 177.300 -0.257 0.000 1.373 195 P CA 0.166 63.045 63.100 -0.367 0.000 1.001 195 P CB 0.270 31.809 31.700 -0.269 0.000 1.489 196 T N -4.554 109.813 114.554 -0.310 0.000 3.023 196 T HA 0.173 4.523 4.350 0.000 0.000 0.266 196 T C 1.709 176.405 174.700 -0.006 0.000 1.093 196 T CA 1.151 62.989 62.100 -0.437 0.000 1.129 196 T CB -1.221 67.301 68.868 -0.577 0.000 0.899 196 T HN 0.168 nan 8.240 nan 0.000 0.491 197 G N 0.953 109.837 108.800 0.140 0.000 2.168 197 G HA2 -0.241 3.720 3.960 0.000 0.000 0.263 197 G HA3 -0.241 3.720 3.960 0.000 0.000 0.263 197 G C 0.177 175.190 174.900 0.188 0.000 0.977 197 G CA 0.443 45.644 45.100 0.169 0.000 0.659 197 G HN 0.764 nan 8.290 nan 0.000 0.533 198 T N 1.543 116.222 114.554 0.208 0.000 2.749 198 T HA 0.569 4.919 4.350 0.000 0.000 0.287 198 T C -0.722 174.096 174.700 0.197 0.000 0.970 198 T CA -0.406 61.812 62.100 0.197 0.000 0.980 198 T CB 1.826 70.831 68.868 0.229 0.000 0.924 198 T HN 0.199 nan 8.240 nan 0.000 0.456 199 D N 3.202 123.698 120.400 0.159 0.000 2.340 199 D HA 0.498 5.138 4.640 0.000 0.000 0.240 199 D C -2.343 173.956 176.300 -0.001 0.000 1.001 199 D CA -1.834 52.272 54.000 0.176 0.000 0.888 199 D CB 1.412 42.378 40.800 0.277 0.000 1.310 199 D HN 0.181 nan 8.370 nan 0.000 0.474 200 P HA 0.156 nan 4.420 nan 0.000 0.274 200 P C 0.030 177.242 177.300 -0.146 0.000 1.231 200 P CA -0.356 62.520 63.100 -0.374 0.000 0.790 200 P CB 0.319 31.436 31.700 -0.972 0.000 0.951 201 T N -0.606 113.895 114.554 -0.089 0.000 2.754 201 T HA 0.228 4.578 4.350 0.000 0.000 0.286 201 T C -1.797 172.949 174.700 0.076 0.000 0.997 201 T CA -1.531 60.567 62.100 -0.003 0.000 0.982 201 T CB -0.198 68.637 68.868 -0.055 0.000 1.027 201 T HN 0.135 nan 8.240 nan 0.000 0.529 202 P HA -0.048 nan 4.420 nan 0.000 0.216 202 P C 1.142 178.425 177.300 -0.027 0.000 1.150 202 P CA 0.985 63.942 63.100 -0.238 0.000 0.837 202 P CB -0.021 31.032 31.700 -1.077 0.000 0.786 203 D N -0.424 119.934 120.400 -0.071 0.000 2.178 203 D HA -0.132 4.508 4.640 0.000 0.000 0.202 203 D C 1.818 178.138 176.300 0.033 0.000 0.974 203 D CA 1.013 55.002 54.000 -0.019 0.000 0.841 203 D CB -0.215 40.561 40.800 -0.040 0.000 0.953 203 D HN 0.344 nan 8.370 nan 0.000 0.478 204 E N -0.296 119.908 120.200 0.007 0.000 2.106 204 E HA -0.144 4.206 4.350 0.000 0.000 0.192 204 E C 2.017 178.647 176.600 0.050 0.000 0.984 204 E CA 0.556 56.934 56.400 -0.035 0.000 0.806 204 E CB -0.135 29.476 29.700 -0.149 0.000 0.750 204 E HN 0.403 nan 8.360 nan 0.000 0.458 205 W N 1.572 122.954 121.300 0.135 0.000 2.363 205 W HA -0.144 4.516 4.660 -0.000 0.000 0.296 205 W C 2.181 178.827 176.519 0.211 0.000 1.212 205 W CA 0.717 58.222 57.345 0.267 0.000 1.260 205 W CB 0.140 29.879 29.460 0.466 0.000 1.131 205 W HN -0.032 nan 8.180 nan 0.000 0.530 206 K N -0.006 120.593 120.400 0.332 0.000 2.097 206 K HA -0.208 4.112 4.320 0.000 0.000 0.206 206 K C 1.881 178.600 176.600 0.198 0.000 1.049 206 K CA 1.394 57.810 56.287 0.215 0.000 0.933 206 K CB -0.383 32.164 32.500 0.078 0.000 0.717 206 K HN 0.300 nan 8.250 nan 0.000 0.442 207 Q N 0.552 120.434 119.800 0.138 0.000 2.079 207 Q HA -0.083 4.257 4.340 0.000 0.000 0.200 207 Q C 2.160 178.205 176.000 0.075 0.000 0.974 207 Q CA 1.138 56.987 55.803 0.077 0.000 0.840 207 Q CB -0.069 28.686 28.738 0.028 0.000 0.898 207 Q HN 0.312 nan 8.270 nan 0.000 0.430 208 I N 0.563 121.206 120.570 0.122 0.000 2.226 208 I HA -0.276 3.894 4.170 0.000 0.000 0.245 208 I C 2.384 178.578 176.117 0.128 0.000 1.100 208 I CA 1.003 62.371 61.300 0.113 0.000 1.374 208 I CB -0.331 37.784 38.000 0.191 0.000 1.057 208 I HN 0.157 nan 8.210 nan 0.000 0.413 209 A N 0.617 123.529 122.820 0.153 0.000 1.933 209 A HA -0.160 4.160 4.320 0.000 0.000 0.218 209 A C 2.530 180.156 177.584 0.070 0.000 1.175 209 A CA 1.791 53.761 52.037 -0.112 0.000 0.628 209 A CB -0.812 17.888 19.000 -0.500 0.000 0.814 209 A HN 0.433 nan 8.150 nan 0.000 0.444 210 A N -0.606 122.260 122.820 0.075 0.000 1.902 210 A HA -0.036 4.284 4.320 0.000 0.000 0.217 210 A C 2.368 179.963 177.584 0.018 0.000 1.181 210 A CA 1.881 53.946 52.037 0.047 0.000 0.623 210 A CB -1.123 17.904 19.000 0.044 0.000 0.818 210 A HN 0.947 nan 8.150 nan 0.000 0.443 211 V N -0.051 119.863 119.914 -0.000 0.000 2.358 211 V HA -0.257 3.863 4.120 0.000 0.000 0.246 211 V C 2.354 178.419 176.094 -0.049 0.000 1.047 211 V CA 2.492 64.767 62.300 -0.043 0.000 1.035 211 V CB -0.480 31.297 31.823 -0.076 0.000 0.658 211 V HN 0.608 nan 8.190 nan 0.000 0.452 212 M N -0.355 119.239 119.600 -0.011 0.000 2.117 212 M HA -0.199 4.281 4.480 0.000 0.000 0.262 212 M C 2.317 178.716 176.300 0.166 0.000 1.065 212 M CA 2.477 57.807 55.300 0.050 0.000 1.114 212 M CB -0.536 32.126 32.600 0.104 0.000 1.361 212 M HN 0.317 nan 8.290 nan 0.000 0.408 213 K N 0.708 121.218 120.400 0.184 0.000 2.002 213 K HA -0.218 4.102 4.320 0.000 0.000 0.209 213 K C 2.143 178.663 176.600 -0.133 0.000 1.048 213 K CA 1.692 57.905 56.287 -0.124 0.000 0.930 213 K CB -0.119 32.246 32.500 -0.225 0.000 0.714 213 K HN 0.186 nan 8.250 nan 0.000 0.438 214 R N 0.599 121.048 120.500 -0.085 0.000 2.096 214 R HA -0.081 4.259 4.340 0.000 0.000 0.235 214 R C 1.535 177.775 176.300 -0.101 0.000 1.127 214 R CA 1.495 57.543 56.100 -0.086 0.000 0.968 214 R CB 0.003 30.267 30.300 -0.060 0.000 0.861 214 R HN 0.139 nan 8.270 nan 0.000 0.440 215 R N -0.565 119.875 120.500 -0.100 0.000 2.334 215 R HA 0.158 4.498 4.340 0.000 0.000 0.220 215 R C 0.160 176.335 176.300 -0.207 0.000 0.917 215 R CA 0.367 56.390 56.100 -0.128 0.000 1.073 215 R CB -0.043 30.198 30.300 -0.099 0.000 1.056 215 R HN 0.274 nan 8.270 nan 0.000 0.506 216 C N 1.458 120.637 119.300 -0.201 0.000 4.350 216 C HA -0.143 4.317 4.460 0.000 0.000 0.302 216 C C 0.545 175.472 174.990 -0.104 0.000 1.390 216 C CA -0.108 58.748 59.018 -0.270 0.000 2.016 216 C CB -2.772 24.507 27.740 -0.768 0.000 1.271 216 C HN 0.442 nan 8.230 nan 0.000 0.760 217 L N -0.213 121.035 121.223 0.041 0.000 2.371 217 L HA 0.482 4.822 4.340 0.000 0.000 0.272 217 L C 0.322 177.366 176.870 0.290 0.000 1.124 217 L CA -0.119 54.815 54.840 0.157 0.000 0.816 217 L CB 0.403 42.428 42.059 -0.057 0.000 1.129 217 L HN 0.300 nan 8.230 nan 0.000 0.448 218 F N 5.257 125.342 119.950 0.225 0.000 2.411 218 F HA 0.413 4.940 4.527 -0.000 0.000 0.355 218 F C -2.136 173.687 175.800 0.039 0.000 1.117 218 F CA -2.264 55.812 58.000 0.126 0.000 1.139 218 F CB 1.014 40.003 39.000 -0.019 0.000 1.120 218 F HN 0.193 nan 8.300 nan 0.000 0.493 219 P HA 0.149 nan 4.420 nan 0.000 0.297 219 P C -1.164 175.704 177.300 -0.720 0.000 1.342 219 P CA -0.121 62.560 63.100 -0.699 0.000 0.801 219 P CB 0.551 31.753 31.700 -0.830 0.000 0.920 220 F N 5.116 124.814 119.950 -0.420 0.000 2.311 220 F HA 0.444 4.971 4.527 0.000 0.000 0.371 220 F C -0.897 174.818 175.800 -0.141 0.000 1.083 220 F CA -1.932 56.032 58.000 -0.061 0.000 1.113 220 F CB -0.114 39.020 39.000 0.223 0.000 1.349 220 F HN 0.103 nan 8.300 nan 0.000 0.470 221 F N 3.228 123.353 119.950 0.291 0.000 2.443 221 F HA 0.208 4.735 4.527 -0.000 0.000 0.353 221 F C 0.635 176.564 175.800 0.215 0.000 1.101 221 F CA -0.103 57.977 58.000 0.133 0.000 1.226 221 F CB 0.560 39.530 39.000 -0.050 0.000 1.140 221 F HN 0.287 nan 8.300 nan 0.000 0.557 222 D N 1.997 122.567 120.400 0.283 0.000 2.441 222 D HA 0.109 4.749 4.640 0.000 0.000 0.231 222 D C -0.875 175.504 176.300 0.131 0.000 1.073 222 D CA -0.112 53.976 54.000 0.146 0.000 0.850 222 D CB 1.261 42.072 40.800 0.018 0.000 1.062 222 D HN 0.322 nan 8.370 nan 0.000 0.524 223 S N 2.802 118.551 115.700 0.081 0.000 2.457 223 S HA 0.544 5.014 4.470 0.000 0.000 0.216 223 S C 0.569 175.113 174.600 -0.092 0.000 1.392 223 S CA -0.349 57.868 58.200 0.029 0.000 1.102 223 S CB 0.127 63.324 63.200 -0.005 0.000 1.114 223 S HN 0.490 nan 8.310 nan 0.000 0.484 224 A N 3.232 125.965 122.820 -0.145 0.000 2.267 224 A HA 0.365 4.685 4.320 0.000 0.000 0.213 224 A C 0.216 177.390 177.584 -0.684 0.000 1.192 224 A CA 0.235 51.996 52.037 -0.460 0.000 0.851 224 A CB -0.028 18.565 19.000 -0.678 0.000 0.881 224 A HN 0.763 nan 8.150 nan 0.000 0.494 225 Y N -0.271 120.021 120.300 -0.012 0.000 2.715 225 Y HA 0.284 4.834 4.550 -0.000 0.000 0.255 225 Y C 0.568 176.556 175.900 0.148 0.000 1.139 225 Y CA -0.796 57.334 58.100 0.050 0.000 1.151 225 Y CB 0.027 38.522 38.460 0.057 0.000 1.201 225 Y HN 0.335 nan 8.280 nan 0.000 0.556 226 Q N 0.987 120.902 119.800 0.192 0.000 2.244 226 Q HA 0.314 4.654 4.340 0.000 0.000 0.278 226 Q C 1.094 177.211 176.000 0.195 0.000 1.093 226 Q CA 1.485 57.392 55.803 0.174 0.000 0.916 226 Q CB 0.146 28.950 28.738 0.110 0.000 1.159 226 Q HN 0.818 nan 8.270 nan 0.000 0.384 227 G N 3.365 112.252 108.800 0.146 0.000 2.238 227 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 227 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 227 G C 0.209 175.116 174.900 0.011 0.000 0.996 227 G CA 0.046 45.155 45.100 0.016 0.000 0.632 227 G HN 0.650 nan 8.290 nan 0.000 0.503 228 F N 1.460 121.444 119.950 0.057 0.000 2.446 228 F HA 0.494 5.021 4.527 -0.000 0.000 0.292 228 F C 2.738 178.558 175.800 0.034 0.000 1.096 228 F CA 1.667 59.706 58.000 0.064 0.000 1.438 228 F CB 0.070 39.185 39.000 0.192 0.000 1.107 228 F HN 0.260 nan 8.300 nan 0.000 0.546 229 A N -0.772 122.189 122.820 0.235 0.000 2.019 229 A HA -0.146 4.174 4.320 0.000 0.000 0.219 229 A C 1.949 179.582 177.584 0.081 0.000 1.164 229 A CA 2.223 54.351 52.037 0.152 0.000 0.644 229 A CB -0.675 18.428 19.000 0.172 0.000 0.805 229 A HN 0.384 nan 8.150 nan 0.000 0.449 230 S N -5.291 110.434 115.700 0.042 0.000 2.615 230 S HA 0.431 4.901 4.470 0.000 0.000 0.277 230 S C 1.222 175.786 174.600 -0.060 0.000 1.068 230 S CA 1.025 59.224 58.200 -0.002 0.000 1.315 230 S CB 0.086 63.296 63.200 0.016 0.000 1.193 230 S HN 1.995 nan 8.310 nan 0.000 0.656 231 G N 1.145 109.884 108.800 -0.102 0.000 2.175 231 G HA2 -0.199 3.761 3.960 0.000 0.000 0.244 231 G HA3 -0.199 3.761 3.960 0.000 0.000 0.244 231 G C 0.008 174.812 174.900 -0.159 0.000 0.982 231 G CA 0.218 45.214 45.100 -0.173 0.000 0.641 231 G HN 1.411 nan 8.290 nan 0.000 0.527 232 S N -0.162 115.480 115.700 -0.096 0.000 2.498 232 S HA 0.666 5.136 4.470 0.000 0.000 0.317 232 S C 1.551 176.126 174.600 -0.041 0.000 1.090 232 S CA -0.381 57.772 58.200 -0.078 0.000 1.089 232 S CB 1.097 64.276 63.200 -0.035 0.000 0.997 232 S HN 0.369 nan 8.310 nan 0.000 0.470 233 L N 3.379 124.567 121.223 -0.060 0.000 2.083 233 L HA -0.059 4.281 4.340 0.000 0.000 0.209 233 L C 1.971 178.882 176.870 0.068 0.000 1.083 233 L CA 1.207 56.056 54.840 0.015 0.000 0.752 233 L CB -0.264 41.826 42.059 0.053 0.000 0.899 233 L HN 0.641 nan 8.230 nan 0.000 0.433 234 D N -0.037 120.403 120.400 0.066 0.000 2.123 234 D HA -0.186 4.454 4.640 0.000 0.000 0.200 234 D C 2.088 178.454 176.300 0.110 0.000 0.976 234 D CA 1.102 55.156 54.000 0.089 0.000 0.831 234 D CB 0.067 40.920 40.800 0.088 0.000 0.974 234 D HN 0.272 nan 8.370 nan 0.000 0.469 235 K N 0.949 121.402 120.400 0.088 0.000 2.002 235 K HA -0.162 4.158 4.320 0.000 0.000 0.209 235 K C 1.404 178.089 176.600 0.142 0.000 1.048 235 K CA 1.548 57.898 56.287 0.104 0.000 0.930 235 K CB 0.125 32.656 32.500 0.052 0.000 0.714 235 K HN -0.147 nan 8.250 nan 0.000 0.438 236 D N 0.125 120.593 120.400 0.112 0.000 2.263 236 D HA -0.126 4.514 4.640 0.000 0.000 0.208 236 D C 1.300 177.665 176.300 0.107 0.000 0.971 236 D CA 1.250 55.327 54.000 0.129 0.000 0.867 236 D CB -0.012 40.863 40.800 0.125 0.000 0.929 236 D HN 0.405 nan 8.370 nan 0.000 0.492 237 A N -0.766 122.103 122.820 0.081 0.000 2.275 237 A HA 0.073 4.393 4.320 0.000 0.000 0.212 237 A C 1.733 179.294 177.584 -0.038 0.000 1.201 237 A CA -0.309 51.723 52.037 -0.008 0.000 0.843 237 A CB -0.789 18.206 19.000 -0.007 0.000 0.873 237 A HN 0.280 nan 8.150 nan 0.000 0.492 238 W N 1.075 122.321 121.300 -0.089 0.000 2.301 238 W HA -0.340 4.320 4.660 -0.000 0.000 0.325 238 W C 2.281 178.704 176.519 -0.161 0.000 1.250 238 W CA 3.070 60.366 57.345 -0.082 0.000 1.261 238 W CB -0.248 29.192 29.460 -0.033 0.000 1.157 238 W HN 0.359 nan 8.180 nan 0.000 0.473 239 A N -0.306 122.413 122.820 -0.168 0.000 1.883 239 A HA -0.236 4.084 4.320 0.000 0.000 0.217 239 A C 2.000 179.138 177.584 -0.745 0.000 1.186 239 A CA 2.697 54.336 52.037 -0.663 0.000 0.624 239 A CB -1.355 16.813 19.000 -1.386 0.000 0.822 239 A HN 0.248 nan 8.150 nan 0.000 0.444 240 V N 0.108 119.472 119.914 -0.917 0.000 2.287 240 V HA -0.299 3.821 4.120 0.000 0.000 0.248 240 V C 2.618 178.415 176.094 -0.494 0.000 1.053 240 V CA 2.338 64.017 62.300 -1.035 0.000 1.027 240 V CB -0.876 30.427 31.823 -0.867 0.000 0.646 240 V HN 0.547 nan 8.190 nan 0.000 0.447 241 R N -1.278 118.977 120.500 -0.408 0.000 2.115 241 R HA -0.170 4.170 4.340 0.000 0.000 0.230 241 R C 2.304 178.413 176.300 -0.318 0.000 1.111 241 R CA 1.699 57.620 56.100 -0.299 0.000 0.976 241 R CB -0.480 29.671 30.300 -0.247 0.000 0.870 241 R HN 0.637 nan 8.270 nan 0.000 0.445 242 Y N 0.620 120.534 120.300 -0.643 0.000 2.200 242 Y HA -0.187 4.363 4.550 -0.000 0.000 0.290 242 Y C 1.734 177.486 175.900 -0.247 0.000 1.137 242 Y CA 1.253 58.976 58.100 -0.628 0.000 1.163 242 Y CB -0.282 37.482 38.460 -1.161 0.000 0.988 242 Y HN -0.150 nan 8.280 nan 0.000 0.518 243 F N -0.695 119.023 119.950 -0.387 0.000 2.134 243 F HA -0.227 4.300 4.527 0.000 0.000 0.299 243 F C 2.448 178.189 175.800 -0.098 0.000 1.097 243 F CA 1.649 59.486 58.000 -0.271 0.000 1.264 243 F CB -1.098 37.727 39.000 -0.292 0.000 1.001 243 F HN -0.110 nan 8.300 nan 0.000 0.479 244 V N -0.103 119.822 119.914 0.019 0.000 2.295 244 V HA -0.307 3.813 4.120 0.000 0.000 0.246 244 V C 2.492 178.553 176.094 -0.055 0.000 1.049 244 V CA 2.097 64.397 62.300 0.000 0.000 1.024 244 V CB -1.225 30.570 31.823 -0.047 0.000 0.648 244 V HN 0.514 nan 8.190 nan 0.000 0.447 245 S N -0.248 115.365 115.700 -0.145 0.000 2.419 245 S HA -0.186 4.284 4.470 0.000 0.000 0.233 245 S C 1.631 176.107 174.600 -0.206 0.000 1.016 245 S CA 1.222 59.324 58.200 -0.163 0.000 0.974 245 S CB -0.407 62.697 63.200 -0.160 0.000 0.786 245 S HN 0.631 nan 8.310 nan 0.000 0.492 246 E N 1.069 121.097 120.200 -0.287 0.000 2.511 246 E HA 0.157 4.507 4.350 0.000 0.000 0.196 246 E C 1.390 177.878 176.600 -0.186 0.000 1.066 246 E CA 0.576 56.810 56.400 -0.275 0.000 0.871 246 E CB -0.355 29.124 29.700 -0.369 0.000 0.863 246 E HN 0.779 nan 8.360 nan 0.000 0.520 247 G N 1.079 109.821 108.800 -0.097 0.000 2.141 247 G HA2 -0.282 3.678 3.960 0.000 0.000 0.242 247 G HA3 -0.282 3.678 3.960 0.000 0.000 0.242 247 G C 0.066 174.918 174.900 -0.080 0.000 0.982 247 G CA -0.110 44.929 45.100 -0.101 0.000 0.662 247 G HN 0.193 nan 8.290 nan 0.000 0.527 248 F N 1.325 121.237 119.950 -0.063 0.000 2.459 248 F HA 0.463 4.990 4.527 0.000 0.000 0.346 248 F C 1.171 176.974 175.800 0.006 0.000 1.128 248 F CA -0.045 57.948 58.000 -0.012 0.000 1.268 248 F CB 0.656 39.688 39.000 0.053 0.000 1.161 248 F HN 0.073 nan 8.300 nan 0.000 0.583 249 E N 3.225 123.557 120.200 0.218 0.000 2.227 249 E HA 0.545 4.895 4.350 0.000 0.000 0.282 249 E C -1.092 175.532 176.600 0.040 0.000 1.015 249 E CA -0.577 55.922 56.400 0.165 0.000 0.823 249 E CB 1.340 31.166 29.700 0.210 0.000 1.081 249 E HN 0.416 nan 8.360 nan 0.000 0.396 250 L N -0.662 120.561 121.223 -0.001 0.000 2.801 250 L HA 0.634 4.974 4.340 0.000 0.000 0.264 250 L C -1.386 175.529 176.870 0.076 0.000 1.086 250 L CA -1.000 53.665 54.840 -0.291 0.000 0.920 250 L CB 0.851 42.796 42.059 -0.190 0.000 1.529 250 L HN 0.191 nan 8.230 nan 0.000 0.399 251 F N 0.241 120.043 119.950 -0.247 0.000 2.532 251 F HA 0.730 5.257 4.527 0.000 0.000 0.321 251 F C -0.290 175.477 175.800 -0.055 0.000 1.089 251 F CA -1.736 56.135 58.000 -0.216 0.000 0.926 251 F CB 1.997 40.583 39.000 -0.689 0.000 1.168 251 F HN 0.800 nan 8.300 nan 0.000 0.459 252 C N 3.376 122.801 119.300 0.208 0.000 2.344 252 C HA 0.843 5.303 4.460 0.000 0.000 0.326 252 C C -0.270 174.851 174.990 0.218 0.000 1.201 252 C CA -0.440 58.721 59.018 0.239 0.000 1.410 252 C CB -0.629 27.165 27.740 0.090 0.000 2.070 252 C HN 0.896 nan 8.230 nan 0.000 0.445 253 A N 6.195 129.223 122.820 0.347 0.000 2.279 253 A HA 0.556 4.876 4.320 0.000 0.000 0.306 253 A C -0.143 177.502 177.584 0.101 0.000 1.300 253 A CA -0.061 52.134 52.037 0.263 0.000 0.925 253 A CB 0.239 19.461 19.000 0.371 0.000 1.152 253 A HN 0.922 nan 8.150 nan 0.000 0.544 254 Q N 1.116 120.925 119.800 0.016 0.000 2.230 254 Q HA 0.522 4.862 4.340 0.000 0.000 0.253 254 Q C -0.262 175.619 176.000 -0.197 0.000 0.919 254 Q CA -0.321 55.394 55.803 -0.146 0.000 0.908 254 Q CB 1.834 30.421 28.738 -0.251 0.000 1.245 254 Q HN 0.671 nan 8.270 nan 0.000 0.437 255 S N 1.420 116.927 115.700 -0.321 0.000 2.482 255 S HA 0.507 4.977 4.470 0.000 0.000 0.303 255 S C -0.766 173.600 174.600 -0.389 0.000 1.091 255 S CA -0.542 57.496 58.200 -0.269 0.000 1.057 255 S CB 0.454 63.500 63.200 -0.257 0.000 1.031 255 S HN 0.564 nan 8.310 nan 0.000 0.485 256 F N 2.351 122.296 119.950 -0.008 0.000 2.654 256 F HA 0.296 4.823 4.527 -0.000 0.000 0.303 256 F C 2.087 177.864 175.800 -0.037 0.000 1.099 256 F CA -0.233 57.798 58.000 0.051 0.000 1.270 256 F CB 0.268 39.267 39.000 -0.001 0.000 1.024 256 F HN 0.501 nan 8.300 nan 0.000 0.548 257 S N 0.358 116.023 115.700 -0.058 0.000 2.368 257 S HA -0.176 4.294 4.470 0.000 0.000 0.225 257 S C 1.981 176.177 174.600 -0.673 0.000 1.030 257 S CA 1.550 59.572 58.200 -0.297 0.000 0.999 257 S CB -0.023 63.051 63.200 -0.210 0.000 0.844 257 S HN 0.342 nan 8.310 nan 0.000 0.459 258 K N 1.556 121.704 120.400 -0.419 0.000 2.099 258 K HA 0.075 4.395 4.320 0.000 0.000 0.203 258 K C 1.811 178.469 176.600 0.097 0.000 1.047 258 K CA 1.026 57.114 56.287 -0.332 0.000 0.963 258 K CB -0.197 32.037 32.500 -0.444 0.000 0.759 258 K HN 0.349 nan 8.250 nan 0.000 0.451 259 N N 0.171 119.030 118.700 0.264 0.000 2.381 259 N HA -0.130 4.610 4.740 0.000 0.000 0.182 259 N C 0.975 176.800 175.510 0.526 0.000 1.025 259 N CA 1.277 54.630 53.050 0.505 0.000 0.888 259 N CB -0.293 38.526 38.487 0.553 0.000 0.965 259 N HN 0.105 nan 8.380 nan 0.000 0.438 260 F N -0.631 119.523 119.950 0.340 0.000 2.720 260 F HA 0.402 4.929 4.527 -0.000 0.000 0.301 260 F C 1.641 177.469 175.800 0.047 0.000 1.103 260 F CA 0.255 58.381 58.000 0.211 0.000 1.291 260 F CB 0.363 39.370 39.000 0.011 0.000 1.086 260 F HN 0.200 nan 8.300 nan 0.000 0.592 261 G N 1.273 110.127 108.800 0.090 0.000 2.198 261 G HA2 -0.312 3.648 3.960 0.000 0.000 0.260 261 G HA3 -0.312 3.648 3.960 0.000 0.000 0.260 261 G C 0.495 175.402 174.900 0.012 0.000 1.025 261 G CA 0.274 45.380 45.100 0.009 0.000 0.769 261 G HN 0.370 nan 8.290 nan 0.000 0.507 262 L N 0.103 121.285 121.223 -0.069 0.000 2.978 262 L HA 0.299 4.639 4.340 0.000 0.000 0.239 262 L C 2.067 178.933 176.870 -0.006 0.000 1.293 262 L CA -0.844 53.998 54.840 0.002 0.000 1.085 262 L CB -0.447 41.602 42.059 -0.018 0.000 1.432 262 L HN 0.297 nan 8.230 nan 0.000 0.512 263 Y N 0.737 121.091 120.300 0.089 0.000 2.029 263 Y HA -0.380 4.170 4.550 0.000 0.000 0.269 263 Y C 2.457 178.378 175.900 0.036 0.000 1.201 263 Y CA 1.989 60.133 58.100 0.074 0.000 1.115 263 Y CB -0.635 37.886 38.460 0.101 0.000 0.945 263 Y HN 0.578 nan 8.280 nan 0.000 0.497 264 N N -0.143 118.677 118.700 0.201 0.000 2.449 264 N HA -0.091 4.649 4.740 0.000 0.000 0.191 264 N C 0.559 176.078 175.510 0.015 0.000 1.161 264 N CA 0.763 53.864 53.050 0.085 0.000 0.863 264 N CB -0.250 38.279 38.487 0.069 0.000 0.980 264 N HN 0.388 nan 8.380 nan 0.000 0.458 265 E N 0.535 120.730 120.200 -0.008 0.000 2.498 265 E HA 0.098 4.448 4.350 0.000 0.000 0.203 265 E C -0.251 176.281 176.600 -0.113 0.000 1.013 265 E CA -0.170 56.189 56.400 -0.070 0.000 0.927 265 E CB 0.262 29.906 29.700 -0.092 0.000 1.012 265 E HN 0.174 nan 8.360 nan 0.000 0.482 266 R N 0.151 120.603 120.500 -0.081 0.000 3.059 266 R HA -0.121 4.219 4.340 0.000 0.000 0.251 266 R C -0.571 175.633 176.300 -0.160 0.000 0.886 266 R CA 0.242 56.277 56.100 -0.108 0.000 0.634 266 R CB -3.125 27.086 30.300 -0.148 0.000 1.282 266 R HN -0.087 nan 8.270 nan 0.000 0.487 267 V N 0.268 120.117 119.914 -0.107 0.000 2.328 267 V HA 0.823 4.943 4.120 0.000 0.000 0.278 267 V C 1.165 177.347 176.094 0.148 0.000 1.021 267 V CA -0.023 62.213 62.300 -0.106 0.000 0.838 267 V CB 1.970 33.684 31.823 -0.182 0.000 0.999 267 V HN 0.639 nan 8.190 nan 0.000 0.447 268 G N 3.178 112.083 108.800 0.175 0.000 2.694 268 G HA2 0.673 4.633 3.960 0.000 0.000 0.290 268 G HA3 0.673 4.633 3.960 0.000 0.000 0.290 268 G C -1.734 173.426 174.900 0.434 0.000 1.386 268 G CA -0.792 44.476 45.100 0.280 0.000 0.872 268 G HN 0.604 nan 8.290 nan 0.000 0.475 269 N N -1.073 117.817 118.700 0.318 0.000 2.324 269 N HA 0.487 5.227 4.740 0.000 0.000 0.285 269 N C -1.801 173.786 175.510 0.127 0.000 1.076 269 N CA -0.598 52.612 53.050 0.266 0.000 0.864 269 N CB 2.160 40.762 38.487 0.191 0.000 1.632 269 N HN 0.471 nan 8.380 nan 0.000 0.478 270 L N 2.476 123.752 121.223 0.088 0.000 2.276 270 L HA 0.625 4.965 4.340 0.000 0.000 0.286 270 L C -0.795 176.031 176.870 -0.074 0.000 1.024 270 L CA -0.051 54.791 54.840 0.004 0.000 0.826 270 L CB 0.941 42.967 42.059 -0.055 0.000 1.211 270 L HN 0.512 nan 8.230 nan 0.000 0.422 271 S N 3.739 119.403 115.700 -0.060 0.000 2.480 271 S HA 0.660 5.130 4.470 0.000 0.000 0.286 271 S C -0.547 174.007 174.600 -0.077 0.000 1.180 271 S CA -0.532 57.630 58.200 -0.063 0.000 1.075 271 S CB 1.411 64.594 63.200 -0.029 0.000 0.996 271 S HN 0.413 nan 8.310 nan 0.000 0.487 272 V N 4.324 124.192 119.914 -0.076 0.000 2.384 272 V HA 0.420 4.540 4.120 0.000 0.000 0.287 272 V C -0.430 175.711 176.094 0.078 0.000 1.020 272 V CA -0.661 61.653 62.300 0.023 0.000 0.850 272 V CB 1.670 33.437 31.823 -0.093 0.000 0.987 272 V HN 0.650 nan 8.190 nan 0.000 0.436 273 V N 4.532 124.533 119.914 0.145 0.000 2.357 273 V HA 0.803 4.923 4.120 0.000 0.000 0.284 273 V C 0.685 176.851 176.094 0.121 0.000 1.018 273 V CA -0.084 62.273 62.300 0.095 0.000 0.841 273 V CB 1.303 33.171 31.823 0.075 0.000 0.991 273 V HN 0.956 nan 8.190 nan 0.000 0.437 274 G N 2.875 111.729 108.800 0.090 0.000 2.644 274 G HA2 0.495 4.455 3.960 0.000 0.000 0.307 274 G HA3 0.495 4.455 3.960 0.000 0.000 0.307 274 G C 0.319 175.259 174.900 0.067 0.000 1.250 274 G CA -0.604 44.555 45.100 0.097 0.000 0.996 274 G HN 0.601 nan 8.290 nan 0.000 0.489 275 K N -0.894 119.547 120.400 0.068 0.000 2.103 275 K HA -0.036 4.284 4.320 0.000 0.000 0.207 275 K C 0.347 176.964 176.600 0.029 0.000 1.048 275 K CA 2.144 58.458 56.287 0.045 0.000 0.930 275 K CB 0.092 32.621 32.500 0.049 0.000 0.716 275 K HN 0.730 nan 8.250 nan 0.000 0.444 276 D N -3.508 116.910 120.400 0.030 0.000 2.692 276 D HA -0.000 4.640 4.640 0.000 0.000 0.303 276 D C 0.244 176.553 176.300 0.014 0.000 1.278 276 D CA -0.703 53.307 54.000 0.017 0.000 0.852 276 D CB 0.373 41.181 40.800 0.013 0.000 1.375 276 D HN -0.028 nan 8.370 nan 0.000 0.453 277 E N -0.230 119.973 120.200 0.005 0.000 2.085 277 E HA -0.275 4.075 4.350 0.000 0.000 0.194 277 E C 0.962 177.561 176.600 -0.002 0.000 0.994 277 E CA 1.765 58.164 56.400 -0.000 0.000 0.801 277 E CB -0.055 29.642 29.700 -0.005 0.000 0.743 277 E HN 0.520 nan 8.360 nan 0.000 0.453 278 D N 0.222 120.622 120.400 0.000 0.000 2.116 278 D HA -0.210 4.430 4.640 0.000 0.000 0.193 278 D C 1.793 178.092 176.300 -0.001 0.000 0.998 278 D CA 1.649 55.648 54.000 -0.003 0.000 0.836 278 D CB -0.198 40.601 40.800 -0.001 0.000 0.951 278 D HN 0.163 nan 8.370 nan 0.000 0.449 279 N N -0.213 118.494 118.700 0.013 0.000 2.084 279 N HA -0.152 4.588 4.740 0.000 0.000 0.190 279 N C 2.202 177.721 175.510 0.016 0.000 1.030 279 N CA 2.002 55.067 53.050 0.026 0.000 0.849 279 N CB -0.332 38.187 38.487 0.052 0.000 1.012 279 N HN 0.371 nan 8.380 nan 0.000 0.423 280 V N -0.344 119.576 119.914 0.010 0.000 2.407 280 V HA -0.202 3.918 4.120 0.000 0.000 0.248 280 V C 2.087 178.159 176.094 -0.036 0.000 1.055 280 V CA 1.474 63.767 62.300 -0.011 0.000 1.049 280 V CB -0.842 30.977 31.823 -0.006 0.000 0.662 280 V HN 0.177 nan 8.190 nan 0.000 0.455 281 Q N 0.128 119.911 119.800 -0.027 0.000 2.084 281 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 281 Q C 2.541 178.514 176.000 -0.044 0.000 0.978 281 Q CA 2.155 57.938 55.803 -0.034 0.000 0.844 281 Q CB -0.213 28.510 28.738 -0.025 0.000 0.898 281 Q HN 0.650 nan 8.270 nan 0.000 0.426 282 R N -0.284 120.191 120.500 -0.042 0.000 2.075 282 R HA -0.089 4.251 4.340 0.000 0.000 0.232 282 R C 2.332 178.591 176.300 -0.068 0.000 1.126 282 R CA 1.167 57.231 56.100 -0.060 0.000 0.963 282 R CB -0.299 29.963 30.300 -0.064 0.000 0.858 282 R HN 0.092 nan 8.270 nan 0.000 0.435 283 V N 1.246 121.121 119.914 -0.066 0.000 2.287 283 V HA -0.236 3.884 4.120 0.000 0.000 0.248 283 V C 2.144 178.132 176.094 -0.178 0.000 1.053 283 V CA 1.500 63.704 62.300 -0.160 0.000 1.027 283 V CB -0.391 31.262 31.823 -0.282 0.000 0.646 283 V HN 0.189 nan 8.190 nan 0.000 0.447 284 L N 0.940 122.084 121.223 -0.131 0.000 2.083 284 L HA -0.133 4.207 4.340 0.000 0.000 0.209 284 L C 2.793 179.631 176.870 -0.052 0.000 1.083 284 L CA 2.326 57.106 54.840 -0.099 0.000 0.752 284 L CB -1.123 40.893 42.059 -0.072 0.000 0.899 284 L HN 0.590 nan 8.230 nan 0.000 0.433 285 S N -1.663 114.010 115.700 -0.045 0.000 2.399 285 S HA -0.216 4.254 4.470 0.000 0.000 0.231 285 S C 1.830 176.429 174.600 -0.002 0.000 1.022 285 S CA 0.875 59.058 58.200 -0.029 0.000 0.983 285 S CB -0.292 62.883 63.200 -0.041 0.000 0.803 285 S HN 0.471 nan 8.310 nan 0.000 0.480 286 Q N 0.577 120.390 119.800 0.021 0.000 2.137 286 Q HA 0.202 4.542 4.340 0.000 0.000 0.198 286 Q C 2.235 178.342 176.000 0.178 0.000 0.960 286 Q CA 1.024 56.905 55.803 0.129 0.000 0.847 286 Q CB -0.467 28.387 28.738 0.192 0.000 0.915 286 Q HN 0.619 nan 8.270 nan 0.000 0.448 287 M N 0.607 120.272 119.600 0.108 0.000 2.213 287 M HA -0.195 4.285 4.480 0.000 0.000 0.263 287 M C 2.088 178.391 176.300 0.006 0.000 1.062 287 M CA 1.386 56.720 55.300 0.057 0.000 1.105 287 M CB -0.120 32.453 32.600 -0.045 0.000 1.385 287 M HN 0.198 nan 8.290 nan 0.000 0.417 288 E N 0.484 120.683 120.200 -0.001 0.000 2.085 288 E HA -0.231 4.119 4.350 0.000 0.000 0.194 288 E C 1.729 178.312 176.600 -0.029 0.000 0.994 288 E CA 1.240 57.629 56.400 -0.018 0.000 0.801 288 E CB 0.176 29.869 29.700 -0.013 0.000 0.743 288 E HN 0.272 nan 8.360 nan 0.000 0.453 289 K N 0.249 120.653 120.400 0.006 0.000 2.148 289 K HA -0.089 4.231 4.320 0.000 0.000 0.204 289 K C 2.205 178.792 176.600 -0.022 0.000 1.050 289 K CA 0.930 57.220 56.287 0.005 0.000 0.942 289 K CB -0.227 32.304 32.500 0.051 0.000 0.724 289 K HN 0.347 nan 8.250 nan 0.000 0.446 290 I N 0.536 121.101 120.570 -0.008 0.000 2.202 290 I HA -0.225 3.945 4.170 0.000 0.000 0.242 290 I C 2.304 178.295 176.117 -0.211 0.000 1.091 290 I CA 0.738 62.002 61.300 -0.059 0.000 1.368 290 I CB -0.298 37.709 38.000 0.013 0.000 1.058 290 I HN -0.189 nan 8.210 nan 0.000 0.410 291 V N 0.919 120.674 119.914 -0.265 0.000 2.407 291 V HA -0.283 3.837 4.120 0.000 0.000 0.248 291 V C 2.660 178.499 176.094 -0.425 0.000 1.055 291 V CA 1.876 63.865 62.300 -0.519 0.000 1.049 291 V CB -0.706 30.901 31.823 -0.359 0.000 0.662 291 V HN 0.394 nan 8.190 nan 0.000 0.455 292 R N 1.567 121.936 120.500 -0.218 0.000 2.103 292 R HA -0.192 4.148 4.340 0.000 0.000 0.242 292 R C 2.175 178.393 176.300 -0.136 0.000 1.142 292 R CA 2.549 58.562 56.100 -0.147 0.000 0.960 292 R CB -1.123 29.122 30.300 -0.091 0.000 0.858 292 R HN 0.645 nan 8.270 nan 0.000 0.439 293 T N -4.251 110.219 114.554 -0.140 0.000 3.107 293 T HA 0.134 4.484 4.350 0.000 0.000 0.249 293 T C 1.156 175.786 174.700 -0.116 0.000 1.096 293 T CA 0.740 62.780 62.100 -0.102 0.000 1.012 293 T CB 0.206 69.030 68.868 -0.074 0.000 0.977 293 T HN 0.193 nan 8.240 nan 0.000 0.527 294 T N 0.414 114.837 114.554 -0.218 0.000 3.082 294 T HA 0.185 4.535 4.350 0.000 0.000 0.235 294 T C 0.973 175.666 174.700 -0.011 0.000 0.991 294 T CA 0.517 62.498 62.100 -0.199 0.000 1.220 294 T CB -0.128 68.471 68.868 -0.448 0.000 0.909 294 T HN 0.813 nan 8.240 nan 0.000 0.424 295 W N 0.157 121.463 121.300 0.010 0.000 2.324 295 W HA 0.714 5.374 4.660 0.000 0.000 0.316 295 W C 1.033 177.552 176.519 0.001 0.000 0.927 295 W CA -0.101 57.249 57.345 0.009 0.000 1.438 295 W CB -0.121 29.346 29.460 0.012 0.000 1.085 295 W HN 0.297 nan 8.180 nan 0.000 0.532 296 S N 1.177 116.888 115.700 0.018 0.000 1.577 296 S HA -0.333 4.137 4.470 0.000 0.000 0.240 296 S C 0.110 174.738 174.600 0.047 0.000 0.755 296 S CA 2.238 60.434 58.200 -0.007 0.000 1.398 296 S CB -1.921 61.278 63.200 -0.002 0.000 1.552 296 S HN 0.911 nan 8.310 nan 0.000 0.510 297 N N 1.108 119.950 118.700 0.238 0.000 2.598 297 N HA 0.717 5.457 4.740 0.000 0.000 0.263 297 N C -3.318 172.398 175.510 0.342 0.000 1.254 297 N CA -1.259 51.946 53.050 0.258 0.000 0.863 297 N CB 1.769 40.323 38.487 0.111 0.000 1.586 297 N HN 0.311 nan 8.380 nan 0.000 0.491 298 P HA 0.462 nan 4.420 nan 0.000 0.281 298 P C -2.695 174.577 177.300 -0.047 0.000 1.264 298 P CA -1.342 61.749 63.100 -0.015 0.000 0.824 298 P CB 0.192 31.859 31.700 -0.055 0.000 1.092 299 P HA 0.070 nan 4.420 nan 0.000 0.274 299 P C 0.730 177.946 177.300 -0.140 0.000 1.237 299 P CA -0.101 62.933 63.100 -0.110 0.000 0.793 299 P CB 0.591 32.205 31.700 -0.143 0.000 0.977 300 S N 0.515 116.158 115.700 -0.096 0.000 2.468 300 S HA -0.115 4.355 4.470 0.000 0.000 0.226 300 S C 1.891 176.396 174.600 -0.159 0.000 1.051 300 S CA 0.597 58.725 58.200 -0.121 0.000 0.943 300 S CB -0.698 62.465 63.200 -0.062 0.000 0.810 300 S HN 0.346 nan 8.310 nan 0.000 0.509 301 Q N 1.810 121.538 119.800 -0.120 0.000 2.012 301 Q HA -0.053 4.287 4.340 0.000 0.000 0.211 301 Q C 2.139 178.026 176.000 -0.188 0.000 1.009 301 Q CA 2.642 58.372 55.803 -0.123 0.000 0.866 301 Q CB -1.464 27.229 28.738 -0.075 0.000 0.945 301 Q HN 0.614 nan 8.270 nan 0.000 0.414 302 G N -0.409 108.256 108.800 -0.226 0.000 2.446 302 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 302 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 302 G C 1.492 176.128 174.900 -0.441 0.000 1.168 302 G CA 1.276 46.200 45.100 -0.294 0.000 0.771 302 G HN 0.590 nan 8.290 nan 0.000 0.551 303 A N 0.394 122.890 122.820 -0.542 0.000 1.933 303 A HA 0.002 4.322 4.320 0.000 0.000 0.218 303 A C 2.334 179.673 177.584 -0.408 0.000 1.175 303 A CA 1.871 53.448 52.037 -0.767 0.000 0.628 303 A CB -0.409 18.021 19.000 -0.950 0.000 0.814 303 A HN 0.369 nan 8.150 nan 0.000 0.444 304 R N -0.397 119.928 120.500 -0.292 0.000 2.075 304 R HA -0.018 4.322 4.340 0.000 0.000 0.232 304 R C 1.934 178.111 176.300 -0.206 0.000 1.126 304 R CA 1.487 57.470 56.100 -0.196 0.000 0.963 304 R CB -0.377 29.831 30.300 -0.152 0.000 0.858 304 R HN 0.568 nan 8.270 nan 0.000 0.435 305 I N -0.107 120.316 120.570 -0.245 0.000 2.127 305 I HA -0.308 3.862 4.170 0.000 0.000 0.241 305 I C 2.147 178.052 176.117 -0.353 0.000 1.075 305 I CA 1.268 62.424 61.300 -0.239 0.000 1.334 305 I CB -0.250 37.616 38.000 -0.224 0.000 1.040 305 I HN 0.053 nan 8.210 nan 0.000 0.405 306 V N 1.006 120.561 119.914 -0.597 0.000 2.261 306 V HA -0.321 3.799 4.120 0.000 0.000 0.246 306 V C 2.720 178.545 176.094 -0.448 0.000 1.047 306 V CA 2.104 63.871 62.300 -0.889 0.000 1.015 306 V CB -1.109 30.009 31.823 -1.175 0.000 0.642 306 V HN 0.517 nan 8.190 nan 0.000 0.446 307 A N -0.345 122.330 122.820 -0.242 0.000 1.908 307 A HA -0.262 4.058 4.320 0.000 0.000 0.218 307 A C 2.391 179.899 177.584 -0.127 0.000 1.181 307 A CA 2.681 54.633 52.037 -0.142 0.000 0.627 307 A CB -1.091 17.877 19.000 -0.053 0.000 0.818 307 A HN 0.518 nan 8.150 nan 0.000 0.445 308 T N -0.256 114.227 114.554 -0.118 0.000 2.746 308 T HA -0.124 4.226 4.350 0.000 0.000 0.267 308 T C 2.016 176.693 174.700 -0.038 0.000 1.039 308 T CA 1.951 64.007 62.100 -0.073 0.000 1.142 308 T CB -0.550 68.277 68.868 -0.069 0.000 0.866 308 T HN 0.587 nan 8.240 nan 0.000 0.444 309 T N 2.532 117.063 114.554 -0.039 0.000 2.708 309 T HA 0.042 4.392 4.350 0.000 0.000 0.266 309 T C 1.967 176.729 174.700 0.103 0.000 1.037 309 T CA 0.919 63.056 62.100 0.062 0.000 1.146 309 T CB -0.434 68.511 68.868 0.130 0.000 0.865 309 T HN 0.270 nan 8.240 nan 0.000 0.435 310 L N 1.335 122.550 121.223 -0.013 0.000 2.201 310 L HA -0.045 4.295 4.340 0.000 0.000 0.212 310 L C 2.804 179.581 176.870 -0.155 0.000 1.105 310 L CA 1.456 56.233 54.840 -0.106 0.000 0.775 310 L CB -1.077 40.863 42.059 -0.198 0.000 0.913 310 L HN 0.453 nan 8.230 nan 0.000 0.440 311 T N -4.961 109.539 114.554 -0.089 0.000 3.129 311 T HA 0.008 4.358 4.350 0.000 0.000 0.251 311 T C 0.844 175.530 174.700 -0.024 0.000 1.117 311 T CA -0.011 62.044 62.100 -0.075 0.000 1.034 311 T CB 0.122 68.949 68.868 -0.068 0.000 0.968 311 T HN 0.101 nan 8.240 nan 0.000 0.526 312 S N 1.921 117.635 115.700 0.023 0.000 2.474 312 S HA 0.479 4.949 4.470 0.000 0.000 0.321 312 S C -1.999 172.678 174.600 0.128 0.000 1.080 312 S CA -1.734 56.501 58.200 0.059 0.000 1.106 312 S CB 1.596 64.830 63.200 0.057 0.000 0.984 312 S HN -0.071 nan 8.310 nan 0.000 0.464 313 P HA -0.176 nan 4.420 nan 0.000 0.216 313 P C 1.407 178.822 177.300 0.191 0.000 1.150 313 P CA 1.037 64.247 63.100 0.185 0.000 0.843 313 P CB 0.123 31.898 31.700 0.124 0.000 0.787 314 Q N -0.459 119.416 119.800 0.125 0.000 2.079 314 Q HA -0.124 4.216 4.340 0.000 0.000 0.200 314 Q C 2.113 178.180 176.000 0.112 0.000 0.974 314 Q CA 1.241 57.102 55.803 0.097 0.000 0.840 314 Q CB -0.489 28.288 28.738 0.065 0.000 0.898 314 Q HN 0.219 nan 8.270 nan 0.000 0.430 315 L N -0.222 121.083 121.223 0.137 0.000 2.056 315 L HA -0.144 4.196 4.340 0.000 0.000 0.207 315 L C 2.408 179.423 176.870 0.241 0.000 1.078 315 L CA 0.821 55.751 54.840 0.151 0.000 0.749 315 L CB -0.544 41.592 42.059 0.129 0.000 0.901 315 L HN 0.270 nan 8.230 nan 0.000 0.433 316 F N 1.281 121.308 119.950 0.128 0.000 2.095 316 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 316 F C 2.451 178.363 175.800 0.185 0.000 1.104 316 F CA 1.274 59.397 58.000 0.205 0.000 1.232 316 F CB -0.449 38.651 39.000 0.167 0.000 0.987 316 F HN -0.002 nan 8.300 nan 0.000 0.475 317 A N -0.278 122.551 122.820 0.014 0.000 1.933 317 A HA -0.239 4.081 4.320 0.000 0.000 0.218 317 A C 2.252 179.775 177.584 -0.102 0.000 1.175 317 A CA 1.747 53.706 52.037 -0.129 0.000 0.628 317 A CB -1.026 17.955 19.000 -0.032 0.000 0.814 317 A HN 0.589 nan 8.150 nan 0.000 0.444 318 E N -1.532 118.667 120.200 -0.001 0.000 2.077 318 E HA -0.247 4.103 4.350 0.000 0.000 0.193 318 E C 1.767 178.368 176.600 0.001 0.000 0.989 318 E CA 1.383 57.787 56.400 0.007 0.000 0.800 318 E CB -0.303 29.423 29.700 0.043 0.000 0.746 318 E HN 0.761 nan 8.360 nan 0.000 0.452 319 W N 1.985 123.182 121.300 -0.172 0.000 2.335 319 W HA -0.164 4.496 4.660 -0.000 0.000 0.311 319 W C 1.873 178.217 176.519 -0.293 0.000 1.213 319 W CA 1.537 58.725 57.345 -0.262 0.000 1.274 319 W CB -0.196 29.104 29.460 -0.266 0.000 1.148 319 W HN -0.095 nan 8.180 nan 0.000 0.498 320 K N -0.004 120.096 120.400 -0.500 0.000 2.063 320 K HA -0.195 4.125 4.320 0.000 0.000 0.208 320 K C 1.566 177.895 176.600 -0.452 0.000 1.048 320 K CA 1.912 57.799 56.287 -0.665 0.000 0.928 320 K CB -0.691 31.456 32.500 -0.589 0.000 0.713 320 K HN 0.191 nan 8.250 nan 0.000 0.442 321 D N 0.511 120.742 120.400 -0.282 0.000 2.117 321 D HA -0.109 4.531 4.640 0.000 0.000 0.197 321 D C 1.595 177.810 176.300 -0.142 0.000 0.987 321 D CA 1.020 54.915 54.000 -0.174 0.000 0.829 321 D CB -0.409 40.335 40.800 -0.093 0.000 0.961 321 D HN 0.332 nan 8.370 nan 0.000 0.460 322 N N 0.015 118.631 118.700 -0.140 0.000 2.120 322 N HA -0.106 4.634 4.740 0.000 0.000 0.188 322 N C 1.923 177.350 175.510 -0.138 0.000 1.024 322 N CA 0.516 53.543 53.050 -0.038 0.000 0.852 322 N CB 0.202 38.619 38.487 -0.118 0.000 1.003 322 N HN -0.038 nan 8.380 nan 0.000 0.424 323 V N 1.609 121.280 119.914 -0.406 0.000 2.358 323 V HA -0.211 3.909 4.120 0.000 0.000 0.246 323 V C 2.314 178.159 176.094 -0.415 0.000 1.047 323 V CA 1.453 63.461 62.300 -0.487 0.000 1.035 323 V CB -0.406 30.971 31.823 -0.742 0.000 0.658 323 V HN 0.290 nan 8.190 nan 0.000 0.452 324 K N -0.318 119.882 120.400 -0.333 0.000 2.097 324 K HA -0.177 4.143 4.320 0.000 0.000 0.206 324 K C 2.198 178.668 176.600 -0.215 0.000 1.049 324 K CA 1.813 57.945 56.287 -0.258 0.000 0.933 324 K CB -0.233 32.144 32.500 -0.205 0.000 0.717 324 K HN 0.478 nan 8.250 nan 0.000 0.442 325 T N 1.568 116.023 114.554 -0.165 0.000 2.684 325 T HA -0.170 4.180 4.350 0.000 0.000 0.267 325 T C 1.839 176.411 174.700 -0.213 0.000 1.036 325 T CA 1.752 63.766 62.100 -0.143 0.000 1.148 325 T CB -0.087 68.743 68.868 -0.063 0.000 0.863 325 T HN 0.257 nan 8.240 nan 0.000 0.436 326 M N 0.792 120.200 119.600 -0.321 0.000 2.086 326 M HA -0.038 4.442 4.480 0.000 0.000 0.261 326 M C 2.894 178.958 176.300 -0.394 0.000 1.067 326 M CA 1.632 56.609 55.300 -0.538 0.000 1.116 326 M CB -0.574 31.482 32.600 -0.907 0.000 1.348 326 M HN 0.296 nan 8.290 nan 0.000 0.407 327 A N 0.555 123.085 122.820 -0.484 0.000 1.883 327 A HA -0.206 4.114 4.320 0.000 0.000 0.217 327 A C 1.747 179.233 177.584 -0.162 0.000 1.186 327 A CA 2.164 53.991 52.037 -0.349 0.000 0.624 327 A CB -0.817 17.995 19.000 -0.314 0.000 0.822 327 A HN 0.396 nan 8.150 nan 0.000 0.444 328 D N -0.808 119.505 120.400 -0.145 0.000 2.117 328 D HA -0.154 4.486 4.640 0.000 0.000 0.197 328 D C 2.097 178.365 176.300 -0.053 0.000 0.987 328 D CA 1.624 55.571 54.000 -0.089 0.000 0.829 328 D CB -0.271 40.474 40.800 -0.091 0.000 0.961 328 D HN 0.510 nan 8.370 nan 0.000 0.460 329 R N 0.794 121.271 120.500 -0.039 0.000 2.120 329 R HA -0.063 4.277 4.340 0.000 0.000 0.234 329 R C 1.810 178.132 176.300 0.036 0.000 1.123 329 R CA 1.028 57.135 56.100 0.012 0.000 0.975 329 R CB -0.703 29.636 30.300 0.065 0.000 0.866 329 R HN 0.037 nan 8.270 nan 0.000 0.446 330 V N 0.907 120.852 119.914 0.052 0.000 2.358 330 V HA -0.168 3.952 4.120 0.000 0.000 0.246 330 V C 2.367 178.474 176.094 0.022 0.000 1.047 330 V CA 1.775 64.110 62.300 0.058 0.000 1.035 330 V CB -0.471 31.408 31.823 0.093 0.000 0.658 330 V HN 0.296 nan 8.190 nan 0.000 0.452 331 L N -0.709 120.515 121.223 0.001 0.000 2.042 331 L HA -0.225 4.115 4.340 0.000 0.000 0.210 331 L C 2.470 179.337 176.870 -0.005 0.000 1.076 331 L CA 1.401 56.239 54.840 -0.003 0.000 0.749 331 L CB -0.616 41.433 42.059 -0.017 0.000 0.893 331 L HN 0.350 nan 8.230 nan 0.000 0.432 332 L N -0.523 120.694 121.223 -0.011 0.000 1.970 332 L HA -0.250 4.090 4.340 0.000 0.000 0.212 332 L C 2.584 179.447 176.870 -0.011 0.000 1.071 332 L CA 1.918 56.749 54.840 -0.014 0.000 0.751 332 L CB -0.452 41.595 42.059 -0.021 0.000 0.889 332 L HN 0.146 nan 8.230 nan 0.000 0.432 333 M N -0.713 118.883 119.600 -0.007 0.000 2.144 333 M HA -0.250 4.230 4.480 0.000 0.000 0.260 333 M C 2.447 178.744 176.300 -0.006 0.000 1.067 333 M CA 1.745 57.040 55.300 -0.008 0.000 1.095 333 M CB -1.352 31.245 32.600 -0.005 0.000 1.365 333 M HN 0.303 nan 8.290 nan 0.000 0.406 334 R N -0.510 119.993 120.500 0.004 0.000 2.070 334 R HA -0.078 4.262 4.340 0.000 0.000 0.233 334 R C 2.625 178.925 176.300 0.001 0.000 1.137 334 R CA 1.718 57.823 56.100 0.009 0.000 0.945 334 R CB -0.591 29.721 30.300 0.020 0.000 0.845 334 R HN 0.265 nan 8.270 nan 0.000 0.430 335 S N 0.473 116.173 115.700 -0.000 0.000 2.369 335 S HA -0.216 4.254 4.470 0.000 0.000 0.225 335 S C 1.753 176.344 174.600 -0.015 0.000 1.043 335 S CA 1.586 59.783 58.200 -0.004 0.000 1.074 335 S CB -0.182 63.013 63.200 -0.008 0.000 0.962 335 S HN 0.294 nan 8.310 nan 0.000 0.433 336 E N 0.529 120.717 120.200 -0.020 0.000 2.023 336 E HA -0.169 4.181 4.350 0.000 0.000 0.196 336 E C 2.168 178.740 176.600 -0.046 0.000 1.003 336 E CA 0.979 57.360 56.400 -0.031 0.000 0.809 336 E CB -0.831 28.851 29.700 -0.029 0.000 0.755 336 E HN 0.373 nan 8.360 nan 0.000 0.449 337 L N 1.710 122.905 121.223 -0.047 0.000 2.010 337 L HA -0.238 4.102 4.340 0.000 0.000 0.219 337 L C 2.494 179.299 176.870 -0.109 0.000 1.077 337 L CA 1.813 56.609 54.840 -0.075 0.000 0.773 337 L CB -0.421 41.608 42.059 -0.050 0.000 0.892 337 L HN 0.042 nan 8.230 nan 0.000 0.436 338 R N -0.979 119.486 120.500 -0.060 0.000 2.139 338 R HA -0.148 4.192 4.340 0.000 0.000 0.243 338 R C 2.215 178.465 176.300 -0.083 0.000 1.145 338 R CA 1.600 57.673 56.100 -0.044 0.000 0.976 338 R CB -0.391 29.921 30.300 0.020 0.000 0.866 338 R HN 0.483 nan 8.270 nan 0.000 0.449 339 S N 0.256 115.912 115.700 -0.073 0.000 2.325 339 S HA -0.057 4.413 4.470 0.000 0.000 0.213 339 S C 1.826 176.360 174.600 -0.110 0.000 1.031 339 S CA 0.739 58.895 58.200 -0.074 0.000 0.984 339 S CB -0.112 63.058 63.200 -0.050 0.000 0.939 339 S HN 0.313 nan 8.310 nan 0.000 0.438 340 R N 1.381 121.811 120.500 -0.117 0.000 2.113 340 R HA -0.093 4.247 4.340 0.000 0.000 0.244 340 R C 2.274 178.450 176.300 -0.207 0.000 1.142 340 R CA 1.141 57.158 56.100 -0.138 0.000 0.953 340 R CB -1.495 28.733 30.300 -0.120 0.000 0.860 340 R HN 0.391 nan 8.270 nan 0.000 0.438 341 L N 0.864 121.914 121.223 -0.288 0.000 1.970 341 L HA -0.197 4.143 4.340 0.000 0.000 0.212 341 L C 2.584 179.229 176.870 -0.375 0.000 1.071 341 L CA 1.599 56.166 54.840 -0.456 0.000 0.751 341 L CB -0.458 41.100 42.059 -0.835 0.000 0.889 341 L HN 0.302 nan 8.230 nan 0.000 0.432 342 E N -0.072 119.955 120.200 -0.289 0.000 1.992 342 E HA -0.260 4.090 4.350 0.000 0.000 0.202 342 E C 2.125 178.656 176.600 -0.115 0.000 1.007 342 E CA 1.724 58.034 56.400 -0.150 0.000 0.857 342 E CB -0.299 29.366 29.700 -0.059 0.000 0.796 342 E HN 0.457 nan 8.360 nan 0.000 0.486 343 S N 1.405 117.049 115.700 -0.094 0.000 2.421 343 S HA -0.233 4.237 4.470 0.000 0.000 0.239 343 S C 1.918 176.459 174.600 -0.099 0.000 1.054 343 S CA 1.751 59.904 58.200 -0.077 0.000 1.035 343 S CB -0.581 62.581 63.200 -0.064 0.000 0.840 343 S HN 0.360 nan 8.310 nan 0.000 0.475 344 L N 0.932 122.067 121.223 -0.148 0.000 2.672 344 L HA 0.526 4.866 4.340 0.000 0.000 0.236 344 L C 0.857 177.583 176.870 -0.240 0.000 1.186 344 L CA 0.480 55.203 54.840 -0.195 0.000 0.977 344 L CB -0.970 40.958 42.059 -0.219 0.000 1.203 344 L HN 0.378 nan 8.230 nan 0.000 0.448 345 G N 0.644 109.353 108.800 -0.151 0.000 2.325 345 G HA2 -0.247 3.713 3.960 0.000 0.000 0.274 345 G HA3 -0.247 3.713 3.960 0.000 0.000 0.274 345 G C 0.028 174.864 174.900 -0.106 0.000 0.921 345 G CA 0.646 45.687 45.100 -0.098 0.000 1.340 345 G HN 0.503 nan 8.290 nan 0.000 0.447 346 T N 3.524 118.034 114.554 -0.073 0.000 2.879 346 T HA 0.594 4.944 4.350 0.000 0.000 0.290 346 T C -2.256 172.526 174.700 0.136 0.000 0.993 346 T CA -0.797 61.319 62.100 0.026 0.000 0.975 346 T CB 2.650 71.448 68.868 -0.117 0.000 0.981 346 T HN 0.346 nan 8.240 nan 0.000 0.439 347 P HA 0.587 nan 4.420 nan 0.000 0.276 347 P C 0.156 177.724 177.300 0.447 0.000 1.253 347 P CA 0.255 63.525 63.100 0.284 0.000 0.766 347 P CB 0.803 32.617 31.700 0.191 0.000 0.845 348 G N 1.943 110.985 108.800 0.403 0.000 2.340 348 G HA2 0.218 4.178 3.960 0.000 0.000 0.282 348 G HA3 0.218 4.178 3.960 0.000 0.000 0.282 348 G C -1.519 173.492 174.900 0.185 0.000 1.312 348 G CA -0.736 44.492 45.100 0.214 0.000 0.942 348 G HN 0.488 nan 8.290 nan 0.000 0.495 349 T N 0.281 114.755 114.554 -0.133 0.000 2.770 349 T HA 0.501 4.851 4.350 0.000 0.000 0.283 349 T C -0.398 174.243 174.700 -0.098 0.000 0.988 349 T CA -0.082 62.015 62.100 -0.006 0.000 0.957 349 T CB 1.400 70.243 68.868 -0.043 0.000 0.930 349 T HN 0.508 nan 8.240 nan 0.000 0.443 350 W N 1.977 123.390 121.300 0.189 0.000 2.991 350 W HA 0.201 4.862 4.660 0.000 0.000 0.391 350 W C 1.462 178.050 176.519 0.114 0.000 1.054 350 W CA -0.896 56.566 57.345 0.193 0.000 1.856 350 W CB -0.184 29.310 29.460 0.056 0.000 1.132 350 W HN 0.654 nan 8.180 nan 0.000 0.601 351 N N 1.036 119.902 118.700 0.276 0.000 2.635 351 N HA -0.212 4.528 4.740 0.000 0.000 0.191 351 N C 1.376 176.997 175.510 0.185 0.000 1.155 351 N CA 1.442 54.599 53.050 0.178 0.000 0.927 351 N CB -1.009 37.551 38.487 0.121 0.000 0.976 351 N HN 0.409 nan 8.380 nan 0.000 0.448 352 H N -0.029 119.109 119.070 0.113 0.000 2.415 352 H HA 0.099 4.655 4.556 0.000 0.000 0.297 352 H C 1.675 177.107 175.328 0.174 0.000 1.048 352 H CA 0.068 56.197 56.048 0.135 0.000 1.365 352 H CB -0.495 29.359 29.762 0.154 0.000 1.421 352 H HN 0.038 nan 8.280 nan 0.000 0.533 353 I N 1.790 122.209 120.570 -0.251 0.000 2.335 353 I HA -0.183 3.987 4.170 0.000 0.000 0.251 353 I C 2.195 178.324 176.117 0.020 0.000 1.129 353 I CA 1.431 62.667 61.300 -0.106 0.000 1.402 353 I CB -0.471 37.496 38.000 -0.055 0.000 1.069 353 I HN 0.278 nan 8.210 nan 0.000 0.424 354 T N -0.984 113.596 114.554 0.044 0.000 3.040 354 T HA -0.011 4.339 4.350 0.000 0.000 0.252 354 T C 1.410 176.150 174.700 0.066 0.000 1.064 354 T CA 0.530 62.662 62.100 0.053 0.000 1.110 354 T CB 0.022 68.919 68.868 0.050 0.000 0.921 354 T HN 0.246 nan 8.240 nan 0.000 0.480 355 D N 1.264 121.719 120.400 0.091 0.000 2.289 355 D HA 0.061 4.701 4.640 0.000 0.000 0.207 355 D C 0.831 177.197 176.300 0.110 0.000 0.966 355 D CA 0.429 54.485 54.000 0.093 0.000 0.868 355 D CB 0.150 41.008 40.800 0.097 0.000 0.943 355 D HN 0.447 nan 8.370 nan 0.000 0.514 356 Q N 0.460 120.340 119.800 0.132 0.000 2.332 356 Q HA 0.354 4.694 4.340 0.000 0.000 0.263 356 Q C -0.148 175.916 176.000 0.106 0.000 0.979 356 Q CA 0.272 56.162 55.803 0.144 0.000 0.885 356 Q CB 1.710 30.553 28.738 0.175 0.000 1.218 356 Q HN 0.107 nan 8.270 nan 0.000 0.405 357 I N 1.391 122.027 120.570 0.110 0.000 2.562 357 I HA 0.591 4.761 4.170 0.000 0.000 0.301 357 I C 0.619 176.774 176.117 0.062 0.000 1.003 357 I CA -0.056 61.298 61.300 0.091 0.000 1.127 357 I CB 1.801 39.870 38.000 0.114 0.000 1.304 357 I HN 0.858 nan 8.210 nan 0.000 0.446 358 G N 4.504 113.333 108.800 0.049 0.000 2.545 358 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 358 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 358 G C 0.277 175.128 174.900 -0.083 0.000 1.314 358 G CA -0.081 45.010 45.100 -0.015 0.000 0.906 358 G HN 0.499 nan 8.290 nan 0.000 0.563 359 M N -0.404 118.967 119.600 -0.382 0.000 2.254 359 M HA 0.203 4.683 4.480 0.000 0.000 0.265 359 M C 0.550 176.471 176.300 -0.632 0.000 1.066 359 M CA 1.357 56.307 55.300 -0.583 0.000 1.123 359 M CB -0.103 31.825 32.600 -1.120 0.000 1.388 359 M HN 0.282 nan 8.290 nan 0.000 0.425 360 F N -0.882 119.038 119.950 -0.049 0.000 2.470 360 F HA 0.376 4.903 4.527 -0.000 0.000 0.329 360 F C 0.184 176.013 175.800 0.047 0.000 1.072 360 F CA -1.020 56.985 58.000 0.008 0.000 0.989 360 F CB 1.189 40.191 39.000 0.002 0.000 1.193 360 F HN -0.312 nan 8.300 nan 0.000 0.481 361 S N 1.573 117.453 115.700 0.301 0.000 2.561 361 S HA 0.436 4.906 4.470 0.000 0.000 0.303 361 S C -1.302 173.471 174.600 0.288 0.000 1.110 361 S CA -0.473 57.871 58.200 0.241 0.000 1.034 361 S CB 0.869 64.175 63.200 0.176 0.000 1.010 361 S HN 0.376 nan 8.310 nan 0.000 0.482 362 F N 4.094 124.045 119.950 0.002 0.000 2.404 362 F HA 0.230 4.757 4.527 -0.000 0.000 0.359 362 F C 1.849 177.697 175.800 0.080 0.000 1.134 362 F CA -0.942 56.975 58.000 -0.140 0.000 1.160 362 F CB 0.117 38.713 39.000 -0.673 0.000 1.186 362 F HN 0.781 nan 8.300 nan 0.000 0.526 363 T N 1.264 115.831 114.554 0.022 0.000 2.508 363 T HA 0.200 4.550 4.350 0.000 0.000 0.249 363 T C 1.560 176.331 174.700 0.119 0.000 1.173 363 T CA 1.331 63.529 62.100 0.163 0.000 1.275 363 T CB -0.704 68.253 68.868 0.148 0.000 0.883 363 T HN 0.768 nan 8.240 nan 0.000 0.394 364 G N -0.163 108.624 108.800 -0.022 0.000 3.859 364 G HA2 0.165 4.125 3.960 0.000 0.000 0.220 364 G HA3 0.165 4.125 3.960 0.000 0.000 0.220 364 G C -0.307 174.579 174.900 -0.024 0.000 0.892 364 G CA -0.390 44.699 45.100 -0.019 0.000 0.858 364 G HN 0.515 nan 8.290 nan 0.000 0.625 365 L N 3.385 124.602 121.223 -0.009 0.000 2.628 365 L HA 0.214 4.554 4.340 0.000 0.000 0.274 365 L C 0.913 177.759 176.870 -0.040 0.000 1.209 365 L CA -0.084 54.757 54.840 0.002 0.000 0.930 365 L CB -0.525 41.543 42.059 0.014 0.000 1.183 365 L HN 0.610 nan 8.230 nan 0.000 0.492 366 N N 5.122 123.815 118.700 -0.011 0.000 2.379 366 N HA 0.340 5.080 4.740 0.000 0.000 0.260 366 N C -2.048 173.454 175.510 -0.014 0.000 1.254 366 N CA -1.342 51.698 53.050 -0.017 0.000 0.958 366 N CB -0.207 38.278 38.487 -0.003 0.000 1.208 366 N HN 0.227 nan 8.380 nan 0.000 0.532 367 P HA -0.220 nan 4.420 nan 0.000 0.216 367 P C 0.482 177.785 177.300 0.004 0.000 1.157 367 P CA 2.087 65.181 63.100 -0.009 0.000 0.880 367 P CB 0.044 31.741 31.700 -0.006 0.000 0.791 368 K N -0.449 119.957 120.400 0.010 0.000 2.148 368 K HA -0.119 4.201 4.320 0.000 0.000 0.204 368 K C 2.327 178.962 176.600 0.058 0.000 1.050 368 K CA 1.154 57.455 56.287 0.024 0.000 0.942 368 K CB -0.373 32.133 32.500 0.010 0.000 0.724 368 K HN 0.278 nan 8.250 nan 0.000 0.446 369 Q N 0.582 120.414 119.800 0.054 0.000 2.119 369 Q HA -0.101 4.239 4.340 0.000 0.000 0.201 369 Q C 2.218 178.276 176.000 0.098 0.000 0.972 369 Q CA 1.154 57.022 55.803 0.108 0.000 0.847 369 Q CB -0.147 28.638 28.738 0.078 0.000 0.903 369 Q HN 0.069 nan 8.270 nan 0.000 0.433 370 V N 1.887 121.819 119.914 0.030 0.000 2.295 370 V HA -0.271 3.849 4.120 0.000 0.000 0.246 370 V C 2.069 178.146 176.094 -0.027 0.000 1.049 370 V CA 2.078 64.370 62.300 -0.012 0.000 1.024 370 V CB -0.606 31.201 31.823 -0.027 0.000 0.648 370 V HN 0.393 nan 8.190 nan 0.000 0.447 371 E N -0.643 119.558 120.200 0.000 0.000 2.118 371 E HA -0.280 4.070 4.350 0.000 0.000 0.195 371 E C 2.158 178.754 176.600 -0.006 0.000 0.992 371 E CA 1.730 58.124 56.400 -0.012 0.000 0.804 371 E CB -0.400 29.306 29.700 0.010 0.000 0.741 371 E HN 0.730 nan 8.360 nan 0.000 0.458 372 Y N 1.560 121.819 120.300 -0.069 0.000 2.070 372 Y HA -0.273 4.277 4.550 0.000 0.000 0.280 372 Y C 2.418 178.262 175.900 -0.093 0.000 1.148 372 Y CA 1.878 59.937 58.100 -0.068 0.000 1.125 372 Y CB -0.525 37.904 38.460 -0.051 0.000 0.975 372 Y HN -0.061 nan 8.280 nan 0.000 0.492 373 M N -0.370 119.039 119.600 -0.318 0.000 2.149 373 M HA -0.206 4.274 4.480 0.000 0.000 0.261 373 M C 2.169 178.234 176.300 -0.392 0.000 1.064 373 M CA 1.662 56.718 55.300 -0.407 0.000 1.102 373 M CB -0.479 31.996 32.600 -0.207 0.000 1.369 373 M HN 0.522 nan 8.290 nan 0.000 0.408 374 I N -0.059 120.314 120.570 -0.328 0.000 2.277 374 I HA -0.229 3.941 4.170 0.000 0.000 0.243 374 I C 2.263 178.065 176.117 -0.524 0.000 1.094 374 I CA 1.298 62.330 61.300 -0.447 0.000 1.393 374 I CB -0.577 37.227 38.000 -0.327 0.000 1.078 374 I HN 0.382 nan 8.210 nan 0.000 0.417 375 K N 1.465 121.653 120.400 -0.353 0.000 2.062 375 K HA -0.157 4.163 4.320 0.000 0.000 0.205 375 K C 1.472 177.836 176.600 -0.393 0.000 1.051 375 K CA 1.533 57.623 56.287 -0.329 0.000 0.941 375 K CB -0.399 32.016 32.500 -0.141 0.000 0.719 375 K HN 0.488 nan 8.250 nan 0.000 0.440 376 E N 0.848 120.875 120.200 -0.288 0.000 2.057 376 E HA -0.013 4.337 4.350 0.000 0.000 0.190 376 E C 2.120 178.692 176.600 -0.046 0.000 0.969 376 E CA 0.256 56.574 56.400 -0.136 0.000 0.812 376 E CB -0.038 29.635 29.700 -0.046 0.000 0.777 376 E HN 0.157 nan 8.360 nan 0.000 0.455 377 K N 0.338 120.606 120.400 -0.221 0.000 2.062 377 K HA -0.046 4.274 4.320 0.000 0.000 0.205 377 K C 0.232 176.969 176.600 0.228 0.000 1.051 377 K CA 0.892 57.167 56.287 -0.020 0.000 0.941 377 K CB -0.241 32.104 32.500 -0.257 0.000 0.719 377 K HN 0.350 nan 8.250 nan 0.000 0.440 378 H N -0.853 118.117 119.070 -0.167 0.000 3.075 378 H HA -0.087 4.469 4.556 0.000 0.000 0.287 378 H C -0.650 174.615 175.328 -0.105 0.000 1.310 378 H CA 0.278 56.233 56.048 -0.155 0.000 1.167 378 H CB -2.139 27.649 29.762 0.044 0.000 1.319 378 H HN 0.134 nan 8.280 nan 0.000 0.408 379 I N 1.485 121.933 120.570 -0.203 0.000 2.359 379 I HA 0.200 4.370 4.170 0.000 0.000 0.284 379 I C 0.039 176.013 176.117 -0.239 0.000 1.018 379 I CA -0.611 60.622 61.300 -0.112 0.000 1.173 379 I CB 0.597 38.508 38.000 -0.149 0.000 1.326 379 I HN -0.003 nan 8.210 nan 0.000 0.462 380 Y N 7.271 127.603 120.300 0.052 0.000 2.336 380 Y HA 0.619 5.169 4.550 0.000 0.000 0.335 380 Y C 0.326 176.215 175.900 -0.019 0.000 1.046 380 Y CA -0.516 57.599 58.100 0.026 0.000 1.198 380 Y CB 1.034 39.539 38.460 0.074 0.000 1.182 380 Y HN 0.431 nan 8.280 nan 0.000 0.502 381 L N 0.152 121.435 121.223 0.100 0.000 2.600 381 L HA 0.642 4.982 4.340 0.000 0.000 0.257 381 L C -0.942 175.948 176.870 0.033 0.000 1.048 381 L CA -1.483 53.389 54.840 0.053 0.000 0.869 381 L CB 1.579 43.650 42.059 0.020 0.000 1.482 381 L HN 0.279 nan 8.230 nan 0.000 0.408 382 M N 1.364 120.969 119.600 0.008 0.000 2.250 382 M HA 0.143 4.623 4.480 0.000 0.000 0.325 382 M C 1.391 177.672 176.300 -0.032 0.000 1.084 382 M CA 0.668 55.957 55.300 -0.019 0.000 1.161 382 M CB 0.655 33.225 32.600 -0.049 0.000 1.481 382 M HN 0.979 nan 8.290 nan 0.000 0.449 383 A N 1.763 124.565 122.820 -0.030 0.000 2.019 383 A HA -0.122 4.198 4.320 0.000 0.000 0.219 383 A C 2.041 179.590 177.584 -0.060 0.000 1.164 383 A CA 1.999 54.016 52.037 -0.034 0.000 0.644 383 A CB -0.758 18.229 19.000 -0.022 0.000 0.805 383 A HN 0.917 nan 8.150 nan 0.000 0.449 384 S N -2.088 113.566 115.700 -0.076 0.000 2.481 384 S HA 0.317 4.787 4.470 0.000 0.000 0.231 384 S C 1.495 175.883 174.600 -0.353 0.000 0.996 384 S CA 1.140 59.256 58.200 -0.140 0.000 0.942 384 S CB -0.275 62.914 63.200 -0.018 0.000 0.768 384 S HN 1.860 nan 8.310 nan 0.000 0.520 385 G N 1.251 109.897 108.800 -0.257 0.000 2.179 385 G HA2 -0.244 3.716 3.960 0.000 0.000 0.220 385 G HA3 -0.244 3.716 3.960 0.000 0.000 0.220 385 G C 0.059 174.817 174.900 -0.236 0.000 0.990 385 G CA -0.131 44.805 45.100 -0.274 0.000 0.646 385 G HN 0.677 nan 8.290 nan 0.000 0.517 386 R N 1.225 121.626 120.500 -0.164 0.000 2.370 386 R HA 0.501 4.841 4.340 0.000 0.000 0.309 386 R C 0.782 177.129 176.300 0.078 0.000 1.059 386 R CA -0.134 55.974 56.100 0.012 0.000 0.981 386 R CB -0.122 30.192 30.300 0.023 0.000 0.972 386 R HN 0.617 nan 8.270 nan 0.000 0.437 387 I N 1.191 121.857 120.570 0.160 0.000 2.562 387 I HA 0.400 4.570 4.170 0.000 0.000 0.301 387 I C -0.674 175.618 176.117 0.292 0.000 1.003 387 I CA -1.192 60.210 61.300 0.170 0.000 1.127 387 I CB 1.910 39.971 38.000 0.103 0.000 1.304 387 I HN 0.437 nan 8.210 nan 0.000 0.446 388 N N 6.178 125.013 118.700 0.225 0.000 2.500 388 N HA 0.259 4.999 4.740 0.000 0.000 0.236 388 N C 0.692 176.216 175.510 0.024 0.000 1.022 388 N CA -0.589 52.541 53.050 0.134 0.000 0.935 388 N CB 0.903 39.468 38.487 0.130 0.000 1.147 388 N HN 0.685 nan 8.380 nan 0.000 0.512 389 M N 1.488 121.085 119.600 -0.006 0.000 2.260 389 M HA -0.183 4.297 4.480 0.000 0.000 0.261 389 M C 1.434 177.728 176.300 -0.010 0.000 1.066 389 M CA 0.904 56.206 55.300 0.002 0.000 1.082 389 M CB -1.318 31.289 32.600 0.012 0.000 1.388 389 M HN 0.575 nan 8.290 nan 0.000 0.419 390 C N -0.114 119.174 119.300 -0.019 0.000 2.511 390 C HA 0.078 4.538 4.460 0.000 0.000 0.277 390 C C 2.661 177.586 174.990 -0.108 0.000 1.451 390 C CA 0.426 59.409 59.018 -0.059 0.000 1.735 390 C CB -2.142 25.575 27.740 -0.038 0.000 1.704 390 C HN 0.701 nan 8.230 nan 0.000 0.571 391 G N 0.353 109.114 108.800 -0.064 0.000 2.494 391 G HA2 0.155 4.115 3.960 0.000 0.000 0.216 391 G HA3 0.155 4.115 3.960 0.000 0.000 0.216 391 G C 0.649 175.520 174.900 -0.049 0.000 1.140 391 G CA -0.024 45.037 45.100 -0.066 0.000 0.801 391 G HN 0.476 nan 8.290 nan 0.000 0.536 392 L N 1.417 122.618 121.223 -0.037 0.000 2.467 392 L HA 0.448 4.788 4.340 0.000 0.000 0.270 392 L C 0.765 177.612 176.870 -0.038 0.000 1.205 392 L CA 0.113 54.937 54.840 -0.027 0.000 0.828 392 L CB 0.938 42.985 42.059 -0.021 0.000 1.101 392 L HN 0.250 nan 8.230 nan 0.000 0.479 393 T N -3.932 110.608 114.554 -0.023 0.000 2.802 393 T HA 0.174 4.524 4.350 0.000 0.000 0.311 393 T C 0.620 175.311 174.700 -0.015 0.000 1.405 393 T CA -0.167 61.916 62.100 -0.028 0.000 1.016 393 T CB 1.354 70.206 68.868 -0.025 0.000 1.352 393 T HN 0.660 nan 8.240 nan 0.000 0.498 394 T N -0.915 113.627 114.554 -0.020 0.000 2.929 394 T HA -0.074 4.276 4.350 0.000 0.000 0.271 394 T C 1.215 175.913 174.700 -0.002 0.000 1.085 394 T CA 1.285 63.376 62.100 -0.014 0.000 1.125 394 T CB -0.596 68.260 68.868 -0.020 0.000 0.874 394 T HN 0.881 nan 8.240 nan 0.000 0.494 395 K N 1.273 121.675 120.400 0.003 0.000 2.358 395 K HA 0.264 4.584 4.320 0.000 0.000 0.197 395 K C 1.339 177.964 176.600 0.041 0.000 1.025 395 K CA 0.071 56.367 56.287 0.015 0.000 1.104 395 K CB 0.101 32.606 32.500 0.008 0.000 0.855 395 K HN 0.428 nan 8.250 nan 0.000 0.531 396 N N 0.443 119.174 118.700 0.053 0.000 2.145 396 N HA 0.052 4.792 4.740 0.000 0.000 0.219 396 N C 1.066 176.634 175.510 0.097 0.000 1.266 396 N CA -0.326 52.788 53.050 0.107 0.000 0.902 396 N CB -0.149 38.403 38.487 0.109 0.000 1.078 396 N HN 0.095 nan 8.380 nan 0.000 0.513 397 L N 1.870 123.120 121.223 0.044 0.000 1.952 397 L HA -0.306 4.034 4.340 0.000 0.000 0.236 397 L C 1.767 178.646 176.870 0.014 0.000 1.092 397 L CA 2.681 57.529 54.840 0.013 0.000 0.817 397 L CB -0.522 41.534 42.059 -0.005 0.000 0.907 397 L HN 0.219 nan 8.230 nan 0.000 0.438 398 D N -1.375 119.041 120.400 0.026 0.000 2.149 398 D HA -0.325 4.315 4.640 0.000 0.000 0.194 398 D C 2.037 178.377 176.300 0.068 0.000 1.001 398 D CA 1.875 55.891 54.000 0.027 0.000 0.849 398 D CB -0.734 40.071 40.800 0.009 0.000 0.939 398 D HN 0.485 nan 8.370 nan 0.000 0.449 399 Y N 2.671 122.968 120.300 -0.005 0.000 2.315 399 Y HA -0.219 4.331 4.550 0.000 0.000 0.288 399 Y C 2.229 178.131 175.900 0.004 0.000 1.154 399 Y CA 1.143 59.245 58.100 0.004 0.000 1.229 399 Y CB -0.258 38.205 38.460 0.007 0.000 0.980 399 Y HN -0.019 nan 8.280 nan 0.000 0.540 400 V N -1.752 118.037 119.914 -0.208 0.000 2.500 400 V HA 0.080 4.200 4.120 0.000 0.000 0.243 400 V C 2.533 178.518 176.094 -0.182 0.000 1.039 400 V CA 1.123 63.252 62.300 -0.285 0.000 1.053 400 V CB -1.723 30.001 31.823 -0.165 0.000 0.695 400 V HN 0.304 nan 8.190 nan 0.000 0.463 401 A N 0.909 123.663 122.820 -0.111 0.000 1.877 401 A HA -0.159 4.161 4.320 0.000 0.000 0.216 401 A C 2.306 179.854 177.584 -0.059 0.000 1.186 401 A CA 2.105 54.081 52.037 -0.100 0.000 0.620 401 A CB -0.556 18.378 19.000 -0.109 0.000 0.822 401 A HN 0.549 nan 8.150 nan 0.000 0.443 402 K N 0.110 120.491 120.400 -0.032 0.000 2.000 402 K HA -0.172 4.148 4.320 0.000 0.000 0.218 402 K C 2.315 178.953 176.600 0.062 0.000 1.053 402 K CA 1.764 58.083 56.287 0.053 0.000 0.946 402 K CB -0.689 31.860 32.500 0.082 0.000 0.723 402 K HN 0.466 nan 8.250 nan 0.000 0.446 403 S N 1.604 117.259 115.700 -0.074 0.000 2.390 403 S HA -0.223 4.247 4.470 0.000 0.000 0.234 403 S C 2.111 176.714 174.600 0.005 0.000 1.063 403 S CA 1.820 59.951 58.200 -0.114 0.000 1.108 403 S CB -0.543 62.440 63.200 -0.362 0.000 0.975 403 S HN 0.241 nan 8.310 nan 0.000 0.442 404 I N 0.645 121.207 120.570 -0.013 0.000 2.286 404 I HA -0.227 3.943 4.170 0.000 0.000 0.248 404 I C 2.498 178.679 176.117 0.107 0.000 1.115 404 I CA 1.707 63.034 61.300 0.046 0.000 1.392 404 I CB -0.436 37.569 38.000 0.008 0.000 1.065 404 I HN 0.344 nan 8.210 nan 0.000 0.418 405 H N 1.372 120.438 119.070 -0.006 0.000 2.387 405 H HA -0.161 4.395 4.556 -0.000 0.000 0.299 405 H C 2.009 177.364 175.328 0.046 0.000 1.090 405 H CA 1.869 57.919 56.048 0.003 0.000 1.332 405 H CB 0.020 29.768 29.762 -0.024 0.000 1.386 405 H HN 0.368 nan 8.280 nan 0.000 0.516 406 E N 0.136 120.329 120.200 -0.011 0.000 2.015 406 E HA -0.145 4.205 4.350 0.000 0.000 0.191 406 E C 2.504 179.084 176.600 -0.033 0.000 0.991 406 E CA 0.858 57.244 56.400 -0.024 0.000 0.802 406 E CB -0.365 29.494 29.700 0.266 0.000 0.759 406 E HN 0.571 nan 8.360 nan 0.000 0.447 407 A N 1.413 124.351 122.820 0.197 0.000 1.948 407 A HA -0.152 4.168 4.320 0.000 0.000 0.220 407 A C 2.461 180.049 177.584 0.007 0.000 1.177 407 A CA 1.345 53.469 52.037 0.146 0.000 0.636 407 A CB -0.626 18.577 19.000 0.338 0.000 0.815 407 A HN 0.136 nan 8.150 nan 0.000 0.449 408 V N -0.814 119.117 119.914 0.029 0.000 3.306 408 V HA -0.070 4.050 4.120 0.000 0.000 0.264 408 V C 2.214 178.287 176.094 -0.035 0.000 1.149 408 V CA 1.992 64.314 62.300 0.037 0.000 1.143 408 V CB -0.367 31.538 31.823 0.137 0.000 0.767 408 V HN 0.657 nan 8.190 nan 0.000 0.476 409 T N -1.389 113.083 114.554 -0.136 0.000 3.234 409 T HA 0.072 4.422 4.350 0.000 0.000 0.235 409 T C 1.790 176.387 174.700 -0.172 0.000 0.971 409 T CA 0.117 62.109 62.100 -0.179 0.000 1.292 409 T CB 0.135 68.801 68.868 -0.337 0.000 0.994 409 T HN 0.189 nan 8.240 nan 0.000 0.412 410 K N 1.270 121.531 120.400 -0.232 0.000 1.975 410 K HA 0.038 4.358 4.320 0.000 0.000 0.224 410 K C 2.057 178.495 176.600 -0.270 0.000 1.038 410 K CA 1.024 57.154 56.287 -0.262 0.000 1.009 410 K CB -1.019 31.251 32.500 -0.383 0.000 0.750 410 K HN 0.109 nan 8.250 nan 0.000 0.445 411 I N 2.123 122.434 120.570 -0.431 0.000 3.102 411 I HA -0.239 3.931 4.170 0.000 0.000 0.278 411 I C 0.982 176.994 176.117 -0.175 0.000 1.316 411 I CA 0.734 61.817 61.300 -0.361 0.000 1.425 411 I CB -0.488 37.151 38.000 -0.602 0.000 1.073 411 I HN 0.294 nan 8.210 nan 0.000 0.503 412 Q N 0.000 119.724 119.800 -0.127 0.000 2.315 412 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 412 Q CA 0.000 55.765 55.803 -0.063 0.000 1.022 412 Q CB 0.000 28.719 28.738 -0.032 0.000 1.108 412 Q HN 0.000 nan 8.270 nan 0.000 0.481