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 2c37_1_R DATA FIRST_RESID 4 DATA SEQUENCE MLQVERPKLI LDDGKRTDGR KPDELRSIKI ELGVLKNADG SAIFEMGNTK DATA SEQUENCE AIAAVYGPKE MHPRHLSLPD RAVLRVRYHM TPFSTDERKN PAPSRREIEL DATA SEQUENCE SKVIREALES AVLVELFPRT AIDVFTEILQ ADAGSRLVSL MAASLALADA DATA SEQUENCE GIPMRDLIAG VAVGKADGVI ILDLNETEDM WGEADMPIAM MPSLNQVTLF DATA SEQUENCE QLNGSMTPDE FRQAFDLAVK GINIIYNLER EALKSKYVEF KEEGV 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 4 M HA 0.000 nan 4.480 nan 0.000 0.227 4 M C 0.000 176.298 176.300 -0.004 0.000 1.140 4 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 4 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 5 L N 1.486 122.707 121.223 -0.004 0.000 2.584 5 L HA 0.461 4.801 4.340 -0.000 0.000 0.153 5 L C -0.184 176.681 176.870 -0.009 0.000 1.336 5 L CA 0.971 55.808 54.840 -0.005 0.000 2.295 5 L CB 0.353 42.411 42.059 -0.002 0.000 2.581 5 L HN 0.681 nan 8.230 nan 0.000 0.640 6 Q N -1.526 118.268 119.800 -0.011 0.000 3.017 6 Q HA 0.259 4.599 4.340 -0.000 0.000 0.202 6 Q C -1.323 174.663 176.000 -0.024 0.000 1.020 6 Q CA 0.048 55.840 55.803 -0.018 0.000 1.058 6 Q CB 0.399 29.123 28.738 -0.023 0.000 2.095 6 Q HN 0.658 nan 8.270 nan 0.000 0.536 7 V N 2.061 121.958 119.914 -0.027 0.000 2.613 7 V HA 0.200 4.320 4.120 -0.000 0.000 0.289 7 V C 0.725 176.783 176.094 -0.060 0.000 0.985 7 V CA 2.006 64.285 62.300 -0.034 0.000 1.181 7 V CB -0.264 31.537 31.823 -0.037 0.000 0.883 7 V HN 0.748 nan 8.190 nan 0.000 0.465 8 E N 6.038 126.210 120.200 -0.046 0.000 2.773 8 E HA 0.472 4.822 4.350 -0.000 0.000 0.302 8 E C 0.493 177.009 176.600 -0.141 0.000 1.574 8 E CA 0.261 56.622 56.400 -0.064 0.000 1.775 8 E CB -0.282 29.410 29.700 -0.015 0.000 1.413 8 E HN 1.080 nan 8.360 nan 0.000 0.471 9 R N 0.235 120.587 120.500 -0.247 0.000 2.634 9 R HA 0.450 4.790 4.340 -0.000 0.000 0.263 9 R C -3.104 172.912 176.300 -0.473 0.000 1.060 9 R CA -1.302 54.476 56.100 -0.537 0.000 0.898 9 R CB 1.847 31.917 30.300 -0.382 0.000 1.253 9 R HN 0.168 nan 8.270 nan 0.000 0.461 10 P HA 0.202 nan 4.420 nan 0.000 0.277 10 P C -1.073 176.078 177.300 -0.249 0.000 1.240 10 P CA -0.490 62.376 63.100 -0.390 0.000 0.798 10 P CB 0.719 32.171 31.700 -0.414 0.000 0.979 11 K N 1.860 122.173 120.400 -0.146 0.000 2.326 11 K HA 0.175 4.495 4.320 -0.000 0.000 0.275 11 K C 0.997 177.563 176.600 -0.057 0.000 1.018 11 K CA -0.070 56.168 56.287 -0.082 0.000 0.962 11 K CB 0.537 33.004 32.500 -0.055 0.000 0.953 11 K HN 0.483 nan 8.250 nan 0.000 0.475 12 L N 1.790 122.999 121.223 -0.022 0.000 2.575 12 L HA 0.196 4.536 4.340 -0.000 0.000 0.228 12 L C 0.339 177.216 176.870 0.011 0.000 1.075 12 L CA 0.053 54.897 54.840 0.006 0.000 0.867 12 L CB 0.345 42.428 42.059 0.039 0.000 1.097 12 L HN 0.374 nan 8.230 nan 0.000 0.485 13 I N 1.564 122.137 120.570 0.006 0.000 2.330 13 I HA 0.357 4.527 4.170 -0.000 0.000 0.289 13 I C 0.030 176.147 176.117 -0.001 0.000 1.001 13 I CA -0.153 61.151 61.300 0.007 0.000 1.193 13 I CB 1.005 39.011 38.000 0.011 0.000 1.345 13 I HN 0.035 nan 8.210 nan 0.000 0.461 14 L N 3.130 124.353 121.223 0.000 0.000 2.670 14 L HA 0.554 4.894 4.340 -0.000 0.000 0.251 14 L C 0.306 177.175 176.870 -0.002 0.000 1.548 14 L CA -1.034 53.803 54.840 -0.004 0.000 1.643 14 L CB 0.228 42.284 42.059 -0.006 0.000 2.174 14 L HN 0.311 nan 8.230 nan 0.000 0.585 15 D N 0.077 120.476 120.400 -0.003 0.000 2.419 15 D HA 0.021 4.661 4.640 -0.000 0.000 0.236 15 D C -0.003 176.298 176.300 0.001 0.000 1.165 15 D CA 0.550 54.549 54.000 -0.002 0.000 0.882 15 D CB 0.301 41.100 40.800 -0.003 0.000 1.201 15 D HN 0.502 nan 8.370 nan 0.000 0.443 16 D N 1.519 121.919 120.400 0.001 0.000 3.608 16 D HA -0.211 4.429 4.640 -0.000 0.000 0.152 16 D C 0.755 177.058 176.300 0.004 0.000 0.971 16 D CA 1.639 55.640 54.000 0.003 0.000 1.072 16 D CB -1.124 39.678 40.800 0.003 0.000 0.507 16 D HN 0.562 nan 8.370 nan 0.000 0.520 17 G N 0.647 109.451 108.800 0.006 0.000 3.805 17 G HA2 0.364 4.324 3.960 -0.000 0.000 0.290 17 G HA3 0.364 4.324 3.960 -0.000 0.000 0.290 17 G C 0.165 175.071 174.900 0.010 0.000 1.077 17 G CA -0.171 44.934 45.100 0.008 0.000 0.852 17 G HN 0.153 nan 8.290 nan 0.000 0.531 18 K N 0.439 120.844 120.400 0.009 0.000 2.106 18 K HA 0.557 4.877 4.320 -0.000 0.000 0.246 18 K C 0.363 176.971 176.600 0.012 0.000 0.987 18 K CA -0.623 55.670 56.287 0.011 0.000 0.904 18 K CB 1.608 34.113 32.500 0.008 0.000 1.071 18 K HN 0.053 nan 8.250 nan 0.000 0.453 19 R N -0.215 120.295 120.500 0.017 0.000 2.541 19 R HA 0.106 4.446 4.340 -0.000 0.000 0.254 19 R C 1.508 177.819 176.300 0.018 0.000 1.130 19 R CA -0.164 55.949 56.100 0.021 0.000 1.152 19 R CB 0.460 30.777 30.300 0.029 0.000 1.222 19 R HN 0.811 nan 8.270 nan 0.000 0.579 20 T N -1.967 112.600 114.554 0.023 0.000 2.849 20 T HA -0.154 4.196 4.350 -0.000 0.000 0.270 20 T C 0.980 175.693 174.700 0.021 0.000 1.066 20 T CA 1.580 63.692 62.100 0.020 0.000 1.130 20 T CB -0.288 68.596 68.868 0.028 0.000 0.864 20 T HN 0.701 nan 8.240 nan 0.000 0.481 21 D N 0.431 120.847 120.400 0.026 0.000 2.342 21 D HA 0.306 4.946 4.640 -0.000 0.000 0.221 21 D C 1.525 177.836 176.300 0.018 0.000 1.101 21 D CA 0.254 54.268 54.000 0.024 0.000 0.837 21 D CB -0.546 40.272 40.800 0.030 0.000 0.938 21 D HN 0.565 nan 8.370 nan 0.000 0.508 22 G N 0.349 109.158 108.800 0.015 0.000 2.176 22 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.253 22 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.253 22 G C 0.363 175.270 174.900 0.012 0.000 0.979 22 G CA -0.163 44.943 45.100 0.010 0.000 0.641 22 G HN 0.438 nan 8.290 nan 0.000 0.530 23 R N 0.440 120.951 120.500 0.018 0.000 2.582 23 R HA 0.498 4.837 4.340 -0.000 0.000 0.271 23 R C 0.660 176.972 176.300 0.021 0.000 1.078 23 R CA -0.188 55.924 56.100 0.021 0.000 1.127 23 R CB 0.582 30.901 30.300 0.031 0.000 1.038 23 R HN 0.228 nan 8.270 nan 0.000 0.500 24 K N 1.812 122.225 120.400 0.022 0.000 2.107 24 K HA 0.114 4.434 4.320 -0.000 0.000 0.251 24 K C -1.632 174.984 176.600 0.028 0.000 1.012 24 K CA -1.590 54.710 56.287 0.022 0.000 0.920 24 K CB 0.625 33.137 32.500 0.021 0.000 1.033 24 K HN 0.252 nan 8.250 nan 0.000 0.478 25 P HA -0.172 nan 4.420 nan 0.000 0.219 25 P C -0.017 177.302 177.300 0.031 0.000 1.146 25 P CA 1.296 64.413 63.100 0.028 0.000 0.808 25 P CB 0.119 31.834 31.700 0.025 0.000 0.779 26 D N -1.289 119.130 120.400 0.031 0.000 2.427 26 D HA 0.028 4.668 4.640 -0.000 0.000 0.224 26 D C -0.163 176.166 176.300 0.048 0.000 1.157 26 D CA -0.067 53.954 54.000 0.035 0.000 0.828 26 D CB -0.327 40.490 40.800 0.029 0.000 0.974 26 D HN 0.160 nan 8.370 nan 0.000 0.498 27 E N 0.501 120.732 120.200 0.052 0.000 2.171 27 E HA 0.415 4.765 4.350 -0.000 0.000 0.271 27 E C -0.162 176.491 176.600 0.088 0.000 0.916 27 E CA -0.853 55.590 56.400 0.071 0.000 0.774 27 E CB 2.515 32.247 29.700 0.055 0.000 1.128 27 E HN 0.137 nan 8.360 nan 0.000 0.403 28 L N 2.559 123.862 121.223 0.132 0.000 2.453 28 L HA 0.343 4.683 4.340 -0.000 0.000 0.261 28 L C 0.959 177.925 176.870 0.160 0.000 1.179 28 L CA -0.410 54.522 54.840 0.154 0.000 0.813 28 L CB 0.408 42.593 42.059 0.209 0.000 1.110 28 L HN 0.359 nan 8.230 nan 0.000 0.466 29 R N 0.269 120.854 120.500 0.141 0.000 2.726 29 R HA 0.174 4.514 4.340 -0.000 0.000 0.272 29 R C 0.161 176.565 176.300 0.174 0.000 1.097 29 R CA -0.425 55.749 56.100 0.123 0.000 1.198 29 R CB 0.561 30.923 30.300 0.104 0.000 1.114 29 R HN 0.775 nan 8.270 nan 0.000 0.550 30 S N 0.518 116.285 115.700 0.112 0.000 2.572 30 S HA 0.228 4.698 4.470 -0.000 0.000 0.279 30 S C 0.183 174.881 174.600 0.164 0.000 1.341 30 S CA -0.390 57.877 58.200 0.113 0.000 1.043 30 S CB 0.349 63.561 63.200 0.020 0.000 0.887 30 S HN 0.374 nan 8.310 nan 0.000 0.516 31 I N 1.506 122.208 120.570 0.221 0.000 2.509 31 I HA 0.526 4.696 4.170 -0.000 0.000 0.293 31 I C -0.188 175.882 176.117 -0.079 0.000 1.020 31 I CA -0.495 60.848 61.300 0.071 0.000 1.088 31 I CB 2.156 40.191 38.000 0.057 0.000 1.267 31 I HN 0.710 nan 8.210 nan 0.000 0.430 32 K N 7.010 127.266 120.400 -0.240 0.000 2.482 32 K HA 0.744 5.064 4.320 -0.000 0.000 0.251 32 K C -1.804 174.496 176.600 -0.500 0.000 0.936 32 K CA -0.466 55.626 56.287 -0.325 0.000 0.791 32 K CB 1.828 34.210 32.500 -0.197 0.000 1.213 32 K HN 0.547 nan 8.250 nan 0.000 0.428 33 I N 3.749 123.998 120.570 -0.535 0.000 2.569 33 I HA 0.294 4.464 4.170 -0.000 0.000 0.290 33 I C -0.987 174.935 176.117 -0.324 0.000 1.088 33 I CA -0.652 60.365 61.300 -0.472 0.000 1.047 33 I CB 2.223 39.930 38.000 -0.489 0.000 1.237 33 I HN 0.674 nan 8.210 nan 0.000 0.421 34 E N 6.137 126.259 120.200 -0.129 0.000 2.340 34 E HA 0.757 5.107 4.350 -0.000 0.000 0.273 34 E C -1.848 174.778 176.600 0.043 0.000 0.891 34 E CA -0.972 55.440 56.400 0.020 0.000 0.757 34 E CB 2.806 32.625 29.700 0.199 0.000 1.231 34 E HN 0.205 nan 8.360 nan 0.000 0.439 35 L N 0.806 122.063 121.223 0.056 0.000 2.319 35 L HA 0.618 4.958 4.340 -0.000 0.000 0.267 35 L C 0.902 177.794 176.870 0.037 0.000 1.011 35 L CA 0.466 55.330 54.840 0.039 0.000 0.818 35 L CB 1.698 43.773 42.059 0.027 0.000 1.316 35 L HN 0.950 nan 8.230 nan 0.000 0.432 36 G N 1.098 109.910 108.800 0.020 0.000 2.295 36 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.287 36 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.287 36 G C 0.555 175.467 174.900 0.019 0.000 1.055 36 G CA 0.508 45.614 45.100 0.010 0.000 0.922 36 G HN 0.564 nan 8.290 nan 0.000 0.503 37 V N -0.611 119.318 119.914 0.026 0.000 3.052 37 V HA 0.377 4.497 4.120 -0.000 0.000 0.254 37 V C 1.286 177.398 176.094 0.031 0.000 1.100 37 V CA 1.152 63.473 62.300 0.035 0.000 1.112 37 V CB 0.028 31.882 31.823 0.051 0.000 0.738 37 V HN 0.417 nan 8.190 nan 0.000 0.469 38 L N 0.663 121.899 121.223 0.022 0.000 2.287 38 L HA 0.429 4.769 4.340 -0.000 0.000 0.287 38 L C 1.025 177.906 176.870 0.018 0.000 1.022 38 L CA -0.589 54.267 54.840 0.027 0.000 0.814 38 L CB 1.427 43.504 42.059 0.030 0.000 1.217 38 L HN -0.062 nan 8.230 nan 0.000 0.420 39 K N 1.186 121.604 120.400 0.030 0.000 2.097 39 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 39 K C 1.291 177.914 176.600 0.037 0.000 1.050 39 K CA 1.279 57.582 56.287 0.027 0.000 0.938 39 K CB 0.012 32.529 32.500 0.028 0.000 0.718 39 K HN 0.460 nan 8.250 nan 0.000 0.442 40 N N 0.013 118.754 118.700 0.068 0.000 2.336 40 N HA 0.096 4.836 4.740 -0.000 0.000 0.189 40 N C -0.199 175.412 175.510 0.167 0.000 1.113 40 N CA 0.150 53.267 53.050 0.112 0.000 0.858 40 N CB 0.587 39.154 38.487 0.132 0.000 0.970 40 N HN 0.060 nan 8.380 nan 0.000 0.471 41 A N 0.279 123.115 122.820 0.025 0.000 2.264 41 A HA 0.305 4.625 4.320 -0.000 0.000 0.304 41 A C 0.721 178.194 177.584 -0.185 0.000 1.100 41 A CA -0.450 51.428 52.037 -0.265 0.000 0.839 41 A CB 1.049 19.771 19.000 -0.464 0.000 1.121 41 A HN -0.051 nan 8.150 nan 0.000 0.496 42 D N 0.063 120.307 120.400 -0.261 0.000 2.213 42 D HA 0.154 4.794 4.640 -0.000 0.000 0.205 42 D C 0.791 177.011 176.300 -0.135 0.000 0.961 42 D CA 1.720 55.635 54.000 -0.141 0.000 0.853 42 D CB 0.317 41.045 40.800 -0.120 0.000 0.967 42 D HN 0.673 nan 8.370 nan 0.000 0.496 43 G N -0.461 108.228 108.800 -0.185 0.000 2.706 43 G HA2 0.502 4.462 3.960 -0.000 0.000 0.297 43 G HA3 0.502 4.462 3.960 -0.000 0.000 0.297 43 G C -1.171 173.649 174.900 -0.134 0.000 1.403 43 G CA -0.395 44.631 45.100 -0.123 0.000 0.954 43 G HN 0.055 nan 8.290 nan 0.000 0.500 44 S N -0.895 114.763 115.700 -0.070 0.000 2.579 44 S HA 0.937 5.407 4.470 -0.000 0.000 0.272 44 S C -0.647 173.957 174.600 0.005 0.000 1.141 44 S CA -0.367 57.809 58.200 -0.040 0.000 0.843 44 S CB 1.988 65.168 63.200 -0.034 0.000 1.122 44 S HN 2.310 nan 8.310 nan 0.000 0.468 45 A N 1.214 124.054 122.820 0.033 0.000 2.547 45 A HA 0.761 5.081 4.320 -0.000 0.000 0.297 45 A C -1.354 176.285 177.584 0.091 0.000 1.056 45 A CA -0.739 51.337 52.037 0.065 0.000 0.688 45 A CB 0.926 19.978 19.000 0.087 0.000 1.282 45 A HN 0.852 nan 8.150 nan 0.000 0.400 46 I N 1.474 122.097 120.570 0.089 0.000 2.377 46 I HA 0.513 4.683 4.170 -0.000 0.000 0.293 46 I C -0.927 175.263 176.117 0.120 0.000 0.987 46 I CA -0.395 60.969 61.300 0.106 0.000 1.185 46 I CB 1.617 39.664 38.000 0.079 0.000 1.341 46 I HN 0.670 nan 8.210 nan 0.000 0.455 47 F N 4.995 124.957 119.950 0.020 0.000 2.540 47 F HA 0.472 4.999 4.527 -0.000 0.000 0.317 47 F C -0.562 175.250 175.800 0.020 0.000 1.104 47 F CA -0.341 57.665 58.000 0.011 0.000 0.913 47 F CB 1.627 40.636 39.000 0.016 0.000 1.170 47 F HN 0.402 nan 8.300 nan 0.000 0.450 48 E N 6.864 127.132 120.200 0.114 0.000 2.241 48 E HA 0.364 4.714 4.350 -0.000 0.000 0.263 48 E C -1.088 175.631 176.600 0.198 0.000 0.882 48 E CA -0.758 55.736 56.400 0.157 0.000 0.769 48 E CB 2.500 32.222 29.700 0.036 0.000 1.185 48 E HN 0.526 nan 8.360 nan 0.000 0.415 49 M N 2.528 122.284 119.600 0.260 0.000 2.078 49 M HA 0.304 4.784 4.480 -0.000 0.000 0.320 49 M C 0.702 177.082 176.300 0.133 0.000 0.969 49 M CA -0.096 55.329 55.300 0.209 0.000 0.929 49 M CB 1.417 34.154 32.600 0.228 0.000 1.504 49 M HN 0.898 nan 8.290 nan 0.000 0.419 50 G N 3.859 112.723 108.800 0.107 0.000 2.660 50 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.321 50 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.321 50 G C 0.464 175.408 174.900 0.072 0.000 1.246 50 G CA 0.466 45.614 45.100 0.079 0.000 1.000 50 G HN 0.733 nan 8.290 nan 0.000 0.550 51 N N 1.482 120.223 118.700 0.068 0.000 2.268 51 N HA 0.158 4.898 4.740 -0.000 0.000 0.204 51 N C 0.196 175.749 175.510 0.072 0.000 1.124 51 N CA 0.778 53.866 53.050 0.064 0.000 0.838 51 N CB 0.456 38.975 38.487 0.055 0.000 0.994 51 N HN 0.459 nan 8.380 nan 0.000 0.489 52 T N 1.303 115.907 114.554 0.085 0.000 2.728 52 T HA 0.277 4.627 4.350 -0.000 0.000 0.296 52 T C 0.268 175.037 174.700 0.115 0.000 0.940 52 T CA -0.132 62.022 62.100 0.090 0.000 1.013 52 T CB 1.089 70.010 68.868 0.089 0.000 0.912 52 T HN -0.098 nan 8.240 nan 0.000 0.484 53 K N 2.080 122.541 120.400 0.101 0.000 2.292 53 K HA 0.746 5.066 4.320 -0.000 0.000 0.257 53 K C -0.782 175.879 176.600 0.101 0.000 0.940 53 K CA -0.522 55.832 56.287 0.112 0.000 0.811 53 K CB 1.862 34.419 32.500 0.096 0.000 1.120 53 K HN 0.663 nan 8.250 nan 0.000 0.428 54 A N 3.340 126.237 122.820 0.127 0.000 2.435 54 A HA 0.707 5.027 4.320 -0.000 0.000 0.304 54 A C -1.454 176.200 177.584 0.115 0.000 1.064 54 A CA -0.741 51.356 52.037 0.100 0.000 0.727 54 A CB 0.916 19.971 19.000 0.092 0.000 1.284 54 A HN 0.790 nan 8.150 nan 0.000 0.415 55 I N 1.059 121.685 120.570 0.093 0.000 2.509 55 I HA 0.758 4.928 4.170 -0.000 0.000 0.293 55 I C -0.150 176.025 176.117 0.096 0.000 1.020 55 I CA -0.562 60.796 61.300 0.097 0.000 1.088 55 I CB 1.798 39.853 38.000 0.092 0.000 1.267 55 I HN 0.842 nan 8.210 nan 0.000 0.430 56 A N 5.979 128.852 122.820 0.088 0.000 2.393 56 A HA 0.917 5.237 4.320 -0.000 0.000 0.306 56 A C -1.231 176.378 177.584 0.042 0.000 1.050 56 A CA -0.458 51.626 52.037 0.078 0.000 0.724 56 A CB 1.538 20.575 19.000 0.061 0.000 1.248 56 A HN 0.876 nan 8.150 nan 0.000 0.424 57 A N 1.504 124.352 122.820 0.047 0.000 2.355 57 A HA 0.734 5.054 4.320 -0.000 0.000 0.317 57 A C -0.997 176.460 177.584 -0.212 0.000 1.094 57 A CA -0.494 51.494 52.037 -0.082 0.000 0.764 57 A CB 1.382 20.405 19.000 0.038 0.000 1.230 57 A HN 1.202 nan 8.150 nan 0.000 0.448 58 V N 2.606 122.284 119.914 -0.394 0.000 2.448 58 V HA 0.362 4.482 4.120 -0.000 0.000 0.295 58 V C -1.434 174.314 176.094 -0.576 0.000 1.025 58 V CA -0.310 61.772 62.300 -0.363 0.000 0.859 58 V CB 1.147 32.840 31.823 -0.217 0.000 0.988 58 V HN 0.766 nan 8.190 nan 0.000 0.431 59 Y N 3.117 123.344 120.300 -0.123 0.000 2.369 59 Y HA 0.609 5.158 4.550 -0.000 0.000 0.337 59 Y C 1.107 176.940 175.900 -0.112 0.000 0.961 59 Y CA -0.332 57.723 58.100 -0.075 0.000 1.186 59 Y CB 1.370 39.821 38.460 -0.015 0.000 1.139 59 Y HN 0.760 nan 8.280 nan 0.000 0.494 60 G N 3.685 112.467 108.800 -0.030 0.000 2.661 60 G HA2 0.180 4.140 3.960 -0.000 0.000 0.272 60 G HA3 0.180 4.140 3.960 -0.000 0.000 0.272 60 G C -2.637 172.173 174.900 -0.150 0.000 1.296 60 G CA -1.264 43.762 45.100 -0.123 0.000 0.998 60 G HN 0.344 nan 8.290 nan 0.000 0.553 61 P HA 0.191 nan 4.420 nan 0.000 0.263 61 P C -0.561 176.654 177.300 -0.142 0.000 1.195 61 P CA 0.543 63.454 63.100 -0.315 0.000 0.762 61 P CB 0.365 31.633 31.700 -0.719 0.000 0.799 62 K N 1.181 121.537 120.400 -0.074 0.000 2.546 62 K HA 0.407 4.727 4.320 -0.000 0.000 0.264 62 K C -0.821 175.774 176.600 -0.008 0.000 0.937 62 K CA -0.996 55.276 56.287 -0.025 0.000 0.833 62 K CB 1.743 34.236 32.500 -0.011 0.000 1.378 62 K HN 0.185 nan 8.250 nan 0.000 0.432 63 E N 1.932 122.135 120.200 0.004 0.000 2.481 63 E HA -0.088 4.262 4.350 -0.000 0.000 0.263 63 E C -0.588 176.010 176.600 -0.003 0.000 0.992 63 E CA 0.468 56.872 56.400 0.007 0.000 0.938 63 E CB 0.584 30.289 29.700 0.010 0.000 0.933 63 E HN 0.385 nan 8.360 nan 0.000 0.453 64 M N 2.455 122.050 119.600 -0.009 0.000 2.233 64 M HA 0.124 4.604 4.480 -0.000 0.000 0.355 64 M C 1.543 177.822 176.300 -0.034 0.000 1.191 64 M CA 0.041 55.327 55.300 -0.023 0.000 1.101 64 M CB 0.867 33.448 32.600 -0.032 0.000 1.592 64 M HN 0.904 nan 8.290 nan 0.000 0.461 65 H N 3.314 122.363 119.070 -0.035 0.000 2.371 65 H HA -0.051 4.505 4.556 -0.000 0.000 0.292 65 H C -1.580 173.714 175.328 -0.056 0.000 1.066 65 H CA 1.799 57.826 56.048 -0.035 0.000 1.153 65 H CB -2.878 26.867 29.762 -0.028 0.000 1.375 65 H HN 0.614 nan 8.280 nan 0.000 0.558 66 P HA 0.362 nan 4.420 nan 0.000 0.297 66 P C 0.345 177.478 177.300 -0.278 0.000 1.342 66 P CA -0.335 62.649 63.100 -0.193 0.000 0.801 66 P CB 1.432 32.958 31.700 -0.291 0.000 0.920 67 R N 2.433 122.848 120.500 -0.141 0.000 2.115 67 R HA -0.144 4.196 4.340 -0.000 0.000 0.230 67 R C 2.060 178.313 176.300 -0.078 0.000 1.111 67 R CA 1.148 57.202 56.100 -0.077 0.000 0.976 67 R CB -0.278 30.022 30.300 -0.000 0.000 0.870 67 R HN 0.649 nan 8.270 nan 0.000 0.445 68 H N -0.521 118.555 119.070 0.011 0.000 2.489 68 H HA -0.118 4.438 4.556 -0.000 0.000 0.295 68 H C 1.619 176.954 175.328 0.012 0.000 1.082 68 H CA 0.942 56.996 56.048 0.010 0.000 1.295 68 H CB -0.286 29.481 29.762 0.009 0.000 1.380 68 H HN 0.286 nan 8.280 nan 0.000 0.548 69 L N 1.974 123.027 121.223 -0.284 0.000 2.558 69 L HA 0.024 4.364 4.340 -0.000 0.000 0.225 69 L C 1.155 177.989 176.870 -0.060 0.000 1.128 69 L CA 0.070 54.830 54.840 -0.134 0.000 0.868 69 L CB 0.060 41.999 42.059 -0.200 0.000 1.006 69 L HN 0.242 nan 8.230 nan 0.000 0.454 70 S N -0.110 115.558 115.700 -0.054 0.000 2.645 70 S HA 0.520 4.990 4.470 -0.000 0.000 0.266 70 S C -0.371 174.233 174.600 0.007 0.000 1.258 70 S CA -0.655 57.535 58.200 -0.017 0.000 0.990 70 S CB 1.257 64.449 63.200 -0.014 0.000 0.967 70 S HN 0.080 nan 8.310 nan 0.000 0.556 71 L N 1.593 122.826 121.223 0.015 0.000 2.329 71 L HA 0.438 4.777 4.340 -0.000 0.000 0.279 71 L C -1.455 175.429 176.870 0.023 0.000 1.014 71 L CA -2.413 52.439 54.840 0.021 0.000 0.814 71 L CB 2.322 44.394 42.059 0.022 0.000 1.257 71 L HN 0.544 nan 8.230 nan 0.000 0.424 72 P HA -0.132 nan 4.420 nan 0.000 0.223 72 P C 0.235 177.544 177.300 0.015 0.000 1.151 72 P CA 1.202 64.313 63.100 0.018 0.000 0.787 72 P CB 0.282 31.992 31.700 0.015 0.000 0.788 73 D N -2.081 118.327 120.400 0.014 0.000 2.479 73 D HA 0.084 4.724 4.640 -0.000 0.000 0.216 73 D C 0.700 177.006 176.300 0.010 0.000 1.110 73 D CA 0.016 54.020 54.000 0.007 0.000 0.841 73 D CB 0.510 41.312 40.800 0.002 0.000 1.040 73 D HN 0.120 nan 8.370 nan 0.000 0.505 74 R N -0.138 120.377 120.500 0.026 0.000 2.855 74 R HA 0.728 5.068 4.340 -0.000 0.000 0.266 74 R C -0.986 175.355 176.300 0.069 0.000 1.034 74 R CA -0.887 55.238 56.100 0.042 0.000 0.944 74 R CB 1.986 32.306 30.300 0.034 0.000 1.219 74 R HN 0.023 nan 8.270 nan 0.000 0.474 75 A N 1.058 123.941 122.820 0.105 0.000 2.316 75 A HA 0.486 4.806 4.320 -0.000 0.000 0.284 75 A C -0.247 177.369 177.584 0.055 0.000 1.115 75 A CA -0.493 51.605 52.037 0.101 0.000 0.812 75 A CB 0.834 19.926 19.000 0.154 0.000 1.064 75 A HN 0.343 nan 8.150 nan 0.000 0.489 76 V N 3.196 123.128 119.914 0.030 0.000 2.498 76 V HA 0.187 4.307 4.120 -0.000 0.000 0.279 76 V C 0.193 176.288 176.094 0.001 0.000 1.048 76 V CA -0.096 62.213 62.300 0.014 0.000 0.967 76 V CB 0.989 32.814 31.823 0.005 0.000 0.988 76 V HN 0.697 nan 8.190 nan 0.000 0.473 77 L N 6.297 127.520 121.223 -0.000 0.000 2.276 77 L HA 0.519 4.859 4.340 -0.000 0.000 0.286 77 L C 0.229 177.087 176.870 -0.020 0.000 1.061 77 L CA -0.321 54.509 54.840 -0.018 0.000 0.807 77 L CB 1.005 43.058 42.059 -0.010 0.000 1.177 77 L HN 0.578 nan 8.230 nan 0.000 0.429 78 R N 2.931 123.403 120.500 -0.047 0.000 2.337 78 R HA 0.567 4.907 4.340 -0.000 0.000 0.319 78 R C -1.204 175.059 176.300 -0.062 0.000 0.954 78 R CA -0.454 55.628 56.100 -0.030 0.000 0.840 78 R CB 1.970 32.258 30.300 -0.019 0.000 1.164 78 R HN 0.298 nan 8.270 nan 0.000 0.472 79 V N 3.316 123.235 119.914 0.009 0.000 2.555 79 V HA 0.508 4.628 4.120 -0.000 0.000 0.302 79 V C -0.211 175.964 176.094 0.135 0.000 1.038 79 V CA -0.851 61.468 62.300 0.033 0.000 0.887 79 V CB 1.980 33.823 31.823 0.033 0.000 0.991 79 V HN 0.627 nan 8.190 nan 0.000 0.434 80 R N 3.128 123.758 120.500 0.217 0.000 2.435 80 R HA 0.386 4.726 4.340 -0.000 0.000 0.308 80 R C -1.904 174.557 176.300 0.269 0.000 0.975 80 R CA -0.598 55.666 56.100 0.272 0.000 0.867 80 R CB 1.288 31.814 30.300 0.377 0.000 1.171 80 R HN 0.766 nan 8.270 nan 0.000 0.470 81 Y N 4.771 125.145 120.300 0.124 0.000 2.341 81 Y HA 0.320 4.870 4.550 -0.000 0.000 0.340 81 Y C -1.129 174.862 175.900 0.153 0.000 0.997 81 Y CA -0.126 58.038 58.100 0.107 0.000 1.149 81 Y CB 0.559 39.051 38.460 0.054 0.000 1.171 81 Y HN 0.543 nan 8.280 nan 0.000 0.494 82 H N 7.568 126.351 119.070 -0.479 0.000 2.954 82 H HA 0.406 4.962 4.556 -0.000 0.000 0.361 82 H C -1.478 173.569 175.328 -0.469 0.000 1.122 82 H CA -0.910 54.918 56.048 -0.368 0.000 1.217 82 H CB 1.523 31.184 29.762 -0.168 0.000 1.776 82 H HN 0.764 nan 8.280 nan 0.000 0.533 83 M N 3.690 122.732 119.600 -0.931 0.000 2.180 83 M HA 0.158 4.638 4.480 -0.000 0.000 0.350 83 M C 0.522 176.364 176.300 -0.762 0.000 1.125 83 M CA -0.929 53.967 55.300 -0.673 0.000 1.031 83 M CB 1.588 33.926 32.600 -0.437 0.000 1.623 83 M HN 0.641 nan 8.290 nan 0.000 0.451 84 T N -0.132 114.111 114.554 -0.518 0.000 2.926 84 T HA 0.183 4.533 4.350 -0.000 0.000 0.307 84 T C -2.081 172.245 174.700 -0.623 0.000 1.059 84 T CA -1.259 60.475 62.100 -0.609 0.000 1.122 84 T CB 0.366 68.694 68.868 -0.901 0.000 0.972 84 T HN 0.404 nan 8.240 nan 0.000 0.545 85 P HA 0.009 nan 4.420 nan 0.000 0.223 85 P C 0.544 177.727 177.300 -0.195 0.000 1.144 85 P CA 0.710 63.635 63.100 -0.291 0.000 0.783 85 P CB -0.215 31.405 31.700 -0.134 0.000 0.771 86 F N -2.535 117.402 119.950 -0.022 0.000 2.684 86 F HA 0.401 4.928 4.527 -0.000 0.000 0.298 86 F C 1.309 177.100 175.800 -0.015 0.000 1.120 86 F CA -0.533 57.459 58.000 -0.013 0.000 1.332 86 F CB -1.363 37.635 39.000 -0.004 0.000 0.986 86 F HN -0.184 nan 8.300 nan 0.000 0.524 87 S N -1.241 114.434 115.700 -0.042 0.000 2.501 87 S HA 0.095 4.565 4.470 -0.000 0.000 0.220 87 S C 0.922 175.536 174.600 0.023 0.000 0.997 87 S CA 0.601 58.802 58.200 0.001 0.000 0.919 87 S CB -0.818 62.316 63.200 -0.111 0.000 0.778 87 S HN 0.469 nan 8.310 nan 0.000 0.523 88 T N -1.047 113.514 114.554 0.012 0.000 2.841 88 T HA 0.455 4.805 4.350 -0.000 0.000 0.276 88 T C 0.066 174.787 174.700 0.035 0.000 1.003 88 T CA -0.649 61.461 62.100 0.016 0.000 0.995 88 T CB 0.840 69.703 68.868 -0.009 0.000 1.260 88 T HN -0.129 nan 8.240 nan 0.000 0.581 89 D N 0.297 120.714 120.400 0.029 0.000 2.085 89 D HA 0.009 4.649 4.640 -0.000 0.000 0.199 89 D C 0.530 176.849 176.300 0.031 0.000 0.981 89 D CA 1.040 55.060 54.000 0.034 0.000 0.834 89 D CB 0.144 40.964 40.800 0.032 0.000 0.992 89 D HN 0.553 nan 8.370 nan 0.000 0.457 90 E N 1.340 121.552 120.200 0.020 0.000 2.331 90 E HA 0.127 4.477 4.350 -0.000 0.000 0.272 90 E C 0.268 176.875 176.600 0.012 0.000 1.036 90 E CA -0.356 56.054 56.400 0.017 0.000 0.864 90 E CB 1.626 31.331 29.700 0.009 0.000 1.035 90 E HN 0.021 nan 8.360 nan 0.000 0.408 91 R N 1.661 122.171 120.500 0.017 0.000 2.458 91 R HA 0.037 4.377 4.340 -0.000 0.000 0.303 91 R C -0.130 176.161 176.300 -0.015 0.000 1.013 91 R CA 0.073 56.180 56.100 0.011 0.000 1.026 91 R CB 0.067 30.383 30.300 0.026 0.000 0.948 91 R HN 0.390 nan 8.270 nan 0.000 0.417 92 K N 4.044 124.416 120.400 -0.046 0.000 2.298 92 K HA 0.017 4.336 4.320 -0.000 0.000 0.280 92 K C 0.064 176.626 176.600 -0.062 0.000 1.032 92 K CA -0.422 55.825 56.287 -0.067 0.000 0.958 92 K CB 0.345 32.776 32.500 -0.115 0.000 0.978 92 K HN 0.772 nan 8.250 nan 0.000 0.472 93 N N 3.578 122.254 118.700 -0.041 0.000 2.475 93 N HA 0.052 4.792 4.740 -0.000 0.000 0.267 93 N C -1.415 174.084 175.510 -0.018 0.000 1.169 93 N CA -1.873 51.165 53.050 -0.021 0.000 0.947 93 N CB 1.481 39.963 38.487 -0.007 0.000 1.061 93 N HN 0.421 nan 8.380 nan 0.000 0.466 94 P HA -0.082 nan 4.420 nan 0.000 0.219 94 P C -0.030 177.370 177.300 0.166 0.000 1.146 94 P CA 0.604 63.763 63.100 0.098 0.000 0.808 94 P CB 0.009 31.751 31.700 0.069 0.000 0.779 95 A N 1.712 124.574 122.820 0.070 0.000 2.546 95 A HA 0.240 4.560 4.320 -0.000 0.000 0.243 95 A C -2.059 175.569 177.584 0.073 0.000 1.063 95 A CA -0.769 51.300 52.037 0.054 0.000 0.757 95 A CB -1.201 17.814 19.000 0.025 0.000 0.991 95 A HN 0.110 nan 8.150 nan 0.000 0.503 96 P HA 0.136 nan 4.420 nan 0.000 0.267 96 P C 0.024 177.359 177.300 0.060 0.000 1.209 96 P CA 0.173 63.332 63.100 0.098 0.000 0.763 96 P CB 0.735 32.487 31.700 0.087 0.000 0.816 97 S N 3.127 118.860 115.700 0.055 0.000 2.652 97 S HA 0.311 4.781 4.470 -0.000 0.000 0.270 97 S C 1.278 175.901 174.600 0.039 0.000 1.243 97 S CA -0.716 57.505 58.200 0.035 0.000 0.999 97 S CB 1.211 64.424 63.200 0.022 0.000 0.973 97 S HN 0.300 nan 8.310 nan 0.000 0.544 98 R N 0.546 121.060 120.500 0.023 0.000 2.103 98 R HA -0.130 4.210 4.340 -0.000 0.000 0.242 98 R C 2.521 178.832 176.300 0.018 0.000 1.142 98 R CA 1.679 57.789 56.100 0.018 0.000 0.960 98 R CB -0.440 29.864 30.300 0.006 0.000 0.858 98 R HN 0.681 nan 8.270 nan 0.000 0.439 99 R N 1.317 121.827 120.500 0.017 0.000 2.083 99 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 99 R C 1.900 178.225 176.300 0.042 0.000 1.137 99 R CA 1.774 57.882 56.100 0.013 0.000 0.951 99 R CB -0.031 30.277 30.300 0.014 0.000 0.851 99 R HN 0.342 nan 8.270 nan 0.000 0.434 100 E N -0.096 120.167 120.200 0.105 0.000 2.150 100 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 100 E C 1.988 178.685 176.600 0.161 0.000 0.985 100 E CA 1.189 57.721 56.400 0.220 0.000 0.814 100 E CB -0.027 29.797 29.700 0.207 0.000 0.752 100 E HN 0.408 nan 8.360 nan 0.000 0.466 101 I N 0.995 121.619 120.570 0.090 0.000 2.202 101 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 101 I C 2.663 178.799 176.117 0.032 0.000 1.091 101 I CA 1.049 62.387 61.300 0.064 0.000 1.368 101 I CB -0.171 37.856 38.000 0.045 0.000 1.058 101 I HN 0.113 nan 8.210 nan 0.000 0.410 102 E N 1.488 121.691 120.200 0.005 0.000 2.031 102 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 102 E C 2.378 178.942 176.600 -0.059 0.000 0.994 102 E CA 1.371 57.757 56.400 -0.024 0.000 0.800 102 E CB -0.077 29.603 29.700 -0.033 0.000 0.752 102 E HN 0.436 nan 8.360 nan 0.000 0.447 103 L N 0.682 121.834 121.223 -0.118 0.000 2.079 103 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 103 L C 2.731 179.500 176.870 -0.170 0.000 1.081 103 L CA 0.953 55.639 54.840 -0.258 0.000 0.752 103 L CB -0.397 41.288 42.059 -0.622 0.000 0.896 103 L HN 0.122 nan 8.230 nan 0.000 0.433 104 S N -0.382 115.304 115.700 -0.023 0.000 2.370 104 S HA -0.224 4.246 4.470 -0.000 0.000 0.226 104 S C 2.024 176.638 174.600 0.023 0.000 1.033 104 S CA 1.446 59.685 58.200 0.065 0.000 1.011 104 S CB -0.134 63.138 63.200 0.120 0.000 0.852 104 S HN 0.338 nan 8.310 nan 0.000 0.457 105 K N 1.009 121.412 120.400 0.004 0.000 2.001 105 K HA -0.050 4.270 4.320 -0.000 0.000 0.208 105 K C 2.030 178.621 176.600 -0.015 0.000 1.048 105 K CA 1.276 57.563 56.287 0.000 0.000 0.932 105 K CB -0.354 32.145 32.500 -0.001 0.000 0.715 105 K HN 0.197 nan 8.250 nan 0.000 0.437 106 V N 2.069 121.960 119.914 -0.038 0.000 2.324 106 V HA -0.288 3.832 4.120 -0.000 0.000 0.250 106 V C 2.364 178.433 176.094 -0.042 0.000 1.060 106 V CA 1.848 64.121 62.300 -0.045 0.000 1.042 106 V CB -0.379 31.400 31.823 -0.073 0.000 0.650 106 V HN 0.323 nan 8.190 nan 0.000 0.450 107 I N -0.684 119.853 120.570 -0.055 0.000 2.252 107 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 107 I C 2.752 178.864 176.117 -0.009 0.000 1.102 107 I CA 1.507 62.786 61.300 -0.036 0.000 1.385 107 I CB -0.452 37.532 38.000 -0.026 0.000 1.064 107 I HN 0.207 nan 8.210 nan 0.000 0.414 108 R N 1.250 121.750 120.500 0.001 0.000 2.083 108 R HA -0.198 4.142 4.340 -0.000 0.000 0.237 108 R C 2.139 178.441 176.300 0.003 0.000 1.137 108 R CA 1.762 57.865 56.100 0.006 0.000 0.951 108 R CB -0.117 30.190 30.300 0.012 0.000 0.851 108 R HN 0.409 nan 8.270 nan 0.000 0.434 109 E N -0.107 120.093 120.200 0.001 0.000 2.077 109 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 109 E C 1.990 178.593 176.600 0.005 0.000 0.989 109 E CA 1.121 57.523 56.400 0.004 0.000 0.800 109 E CB -0.152 29.549 29.700 0.002 0.000 0.746 109 E HN 0.448 nan 8.360 nan 0.000 0.452 110 A N 1.445 124.266 122.820 0.001 0.000 1.892 110 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 110 A C 2.226 179.813 177.584 0.005 0.000 1.188 110 A CA 1.328 53.367 52.037 0.003 0.000 0.631 110 A CB -0.726 18.270 19.000 -0.007 0.000 0.822 110 A HN 0.144 nan 8.150 nan 0.000 0.447 111 L N -1.194 120.031 121.223 0.003 0.000 2.109 111 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 111 L C 2.527 179.404 176.870 0.013 0.000 1.086 111 L CA 1.300 56.144 54.840 0.006 0.000 0.760 111 L CB -0.489 41.571 42.059 0.001 0.000 0.910 111 L HN 0.460 nan 8.230 nan 0.000 0.437 112 E N -0.100 120.107 120.200 0.012 0.000 2.204 112 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 112 E C 2.170 178.781 176.600 0.018 0.000 0.990 112 E CA 1.372 57.782 56.400 0.016 0.000 0.821 112 E CB 0.063 29.771 29.700 0.014 0.000 0.750 112 E HN 0.506 nan 8.360 nan 0.000 0.477 113 S N -0.540 115.169 115.700 0.015 0.000 2.522 113 S HA 0.101 4.571 4.470 -0.000 0.000 0.227 113 S C 1.707 176.318 174.600 0.018 0.000 0.986 113 S CA 0.531 58.740 58.200 0.015 0.000 0.929 113 S CB 0.585 63.794 63.200 0.014 0.000 0.769 113 S HN 0.244 nan 8.310 nan 0.000 0.529 114 A N 0.976 123.809 122.820 0.021 0.000 1.984 114 A HA 0.560 4.880 4.320 -0.000 0.000 0.203 114 A C 0.765 178.370 177.584 0.035 0.000 1.292 114 A CA 0.089 52.141 52.037 0.026 0.000 0.782 114 A CB -0.074 18.942 19.000 0.026 0.000 0.924 114 A HN 0.344 nan 8.150 nan 0.000 0.475 115 V N 1.776 121.714 119.914 0.039 0.000 2.614 115 V HA 0.159 4.279 4.120 -0.000 0.000 0.291 115 V C 0.143 176.277 176.094 0.068 0.000 1.049 115 V CA -0.046 62.289 62.300 0.059 0.000 1.038 115 V CB 1.135 32.991 31.823 0.055 0.000 0.980 115 V HN 0.415 nan 8.190 nan 0.000 0.481 116 L N 5.873 127.149 121.223 0.088 0.000 2.423 116 L HA 0.108 4.448 4.340 -0.000 0.000 0.249 116 L C 1.350 178.272 176.870 0.085 0.000 1.276 116 L CA -0.235 54.641 54.840 0.059 0.000 1.199 116 L CB 0.314 42.389 42.059 0.026 0.000 1.407 116 L HN 0.782 nan 8.230 nan 0.000 0.410 117 V N -1.755 118.215 119.914 0.093 0.000 2.759 117 V HA -0.184 3.936 4.120 -0.000 0.000 0.256 117 V C 1.886 178.025 176.094 0.075 0.000 1.080 117 V CA 1.153 63.536 62.300 0.138 0.000 1.101 117 V CB -0.466 31.413 31.823 0.093 0.000 0.698 117 V HN 0.567 nan 8.190 nan 0.000 0.477 118 E N 0.902 121.098 120.200 -0.006 0.000 2.209 118 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 118 E C 1.823 178.337 176.600 -0.144 0.000 0.993 118 E CA 1.090 57.460 56.400 -0.050 0.000 0.819 118 E CB -0.498 29.171 29.700 -0.051 0.000 0.745 118 E HN 0.503 nan 8.360 nan 0.000 0.477 119 L N -0.775 120.263 121.223 -0.308 0.000 2.362 119 L HA -0.067 4.273 4.340 -0.000 0.000 0.219 119 L C 0.165 176.523 176.870 -0.853 0.000 1.134 119 L CA 1.275 55.702 54.840 -0.689 0.000 0.807 119 L CB -0.056 41.359 42.059 -1.073 0.000 0.927 119 L HN 0.074 nan 8.230 nan 0.000 0.447 120 F N -0.973 118.976 119.950 -0.001 0.000 2.622 120 F HA 0.377 4.903 4.527 -0.000 0.000 0.338 120 F C -2.245 173.554 175.800 -0.001 0.000 1.334 120 F CA -2.359 55.640 58.000 -0.001 0.000 1.179 120 F CB 0.079 39.078 39.000 -0.002 0.000 1.471 120 F HN -0.179 nan 8.300 nan 0.000 0.576 121 P HA 0.165 nan 4.420 nan 0.000 0.272 121 P C 0.330 177.675 177.300 0.075 0.000 1.223 121 P CA 0.001 63.141 63.100 0.067 0.000 0.784 121 P CB 0.630 32.347 31.700 0.028 0.000 0.923 122 R N -2.244 118.288 120.500 0.054 0.000 3.989 122 R HA -0.111 4.229 4.340 -0.000 0.000 0.377 122 R C 0.322 176.646 176.300 0.039 0.000 1.158 122 R CA 1.458 57.581 56.100 0.039 0.000 1.035 122 R CB -3.188 27.132 30.300 0.033 0.000 1.557 122 R HN 0.751 nan 8.270 nan 0.000 0.551 123 T N -3.117 111.471 114.554 0.057 0.000 2.942 123 T HA 0.865 5.215 4.350 -0.000 0.000 0.289 123 T C -0.102 174.608 174.700 0.017 0.000 1.044 123 T CA -0.212 61.911 62.100 0.039 0.000 1.023 123 T CB 2.889 71.791 68.868 0.056 0.000 1.123 123 T HN 0.333 nan 8.240 nan 0.000 0.512 124 A N 1.622 124.435 122.820 -0.011 0.000 2.342 124 A HA 0.780 5.100 4.320 -0.000 0.000 0.323 124 A C -0.529 177.022 177.584 -0.056 0.000 1.125 124 A CA -1.035 50.988 52.037 -0.024 0.000 0.785 124 A CB 0.521 19.508 19.000 -0.020 0.000 1.221 124 A HN 0.883 nan 8.150 nan 0.000 0.463 125 I N 2.317 122.845 120.570 -0.069 0.000 2.362 125 I HA 0.268 4.438 4.170 -0.000 0.000 0.289 125 I C -1.029 175.011 176.117 -0.129 0.000 0.994 125 I CA -0.550 60.686 61.300 -0.106 0.000 1.158 125 I CB 1.779 39.708 38.000 -0.119 0.000 1.315 125 I HN 0.498 nan 8.210 nan 0.000 0.451 126 D N 6.446 126.746 120.400 -0.165 0.000 2.233 126 D HA 0.407 5.047 4.640 -0.000 0.000 0.240 126 D C -0.579 175.428 176.300 -0.488 0.000 1.074 126 D CA -0.123 53.656 54.000 -0.369 0.000 0.838 126 D CB 2.445 43.002 40.800 -0.405 0.000 1.124 126 D HN 0.040 nan 8.370 nan 0.000 0.475 127 V N 3.437 123.009 119.914 -0.571 0.000 2.376 127 V HA 0.394 4.514 4.120 -0.000 0.000 0.287 127 V C -0.559 175.310 176.094 -0.375 0.000 1.015 127 V CA -0.789 61.283 62.300 -0.380 0.000 0.834 127 V CB 0.476 32.203 31.823 -0.161 0.000 1.001 127 V HN 0.345 nan 8.190 nan 0.000 0.428 128 F N 1.934 121.945 119.950 0.102 0.000 2.444 128 F HA 0.610 5.137 4.527 -0.000 0.000 0.342 128 F C 0.715 176.558 175.800 0.072 0.000 1.121 128 F CA -0.545 57.511 58.000 0.094 0.000 0.997 128 F CB 2.109 41.185 39.000 0.126 0.000 1.130 128 F HN 0.298 nan 8.300 nan 0.000 0.454 129 T N 3.121 117.825 114.554 0.250 0.000 2.829 129 T HA 0.376 4.726 4.350 -0.000 0.000 0.280 129 T C -0.771 173.973 174.700 0.074 0.000 0.999 129 T CA -0.695 61.489 62.100 0.141 0.000 0.983 129 T CB 1.160 70.112 68.868 0.139 0.000 0.968 129 T HN 0.380 nan 8.240 nan 0.000 0.446 130 E N 2.688 122.911 120.200 0.038 0.000 2.241 130 E HA 0.348 4.698 4.350 -0.000 0.000 0.263 130 E C -0.939 175.627 176.600 -0.057 0.000 0.882 130 E CA -0.692 55.699 56.400 -0.015 0.000 0.769 130 E CB 2.054 31.779 29.700 0.043 0.000 1.185 130 E HN 0.409 nan 8.360 nan 0.000 0.415 131 I N 3.668 124.138 120.570 -0.167 0.000 2.396 131 I HA 0.032 4.202 4.170 -0.000 0.000 0.289 131 I C 1.421 177.484 176.117 -0.090 0.000 1.056 131 I CA 0.336 61.565 61.300 -0.119 0.000 1.365 131 I CB 0.527 38.422 38.000 -0.175 0.000 1.407 131 I HN 0.509 nan 8.210 nan 0.000 0.509 132 L N 5.090 126.315 121.223 0.004 0.000 2.354 132 L HA 0.225 4.565 4.340 -0.000 0.000 0.212 132 L C 0.295 177.227 176.870 0.104 0.000 1.091 132 L CA 0.346 55.232 54.840 0.077 0.000 0.828 132 L CB -0.225 41.915 42.059 0.135 0.000 0.973 132 L HN 0.560 nan 8.230 nan 0.000 0.461 133 Q N -0.115 119.725 119.800 0.067 0.000 2.268 133 Q HA 0.612 4.952 4.340 -0.000 0.000 0.266 133 Q C -1.151 174.874 176.000 0.043 0.000 1.006 133 Q CA -0.342 55.500 55.803 0.065 0.000 0.824 133 Q CB 2.831 31.616 28.738 0.079 0.000 1.306 133 Q HN 0.153 nan 8.270 nan 0.000 0.424 134 A N 1.698 124.535 122.820 0.028 0.000 2.276 134 A HA 0.521 4.841 4.320 -0.000 0.000 0.316 134 A C -0.557 177.049 177.584 0.037 0.000 1.229 134 A CA -0.209 51.845 52.037 0.027 0.000 0.851 134 A CB 0.522 19.527 19.000 0.008 0.000 1.165 134 A HN 0.690 nan 8.150 nan 0.000 0.513 135 D N 1.213 121.639 120.400 0.044 0.000 2.992 135 D HA 0.471 5.111 4.640 -0.000 0.000 0.372 135 D C -0.007 176.317 176.300 0.041 0.000 1.374 135 D CA 0.968 54.995 54.000 0.044 0.000 0.769 135 D CB 0.089 40.920 40.800 0.052 0.000 1.215 135 D HN 1.460 nan 8.370 nan 0.000 0.473 136 A N -0.838 122.002 122.820 0.033 0.000 2.435 136 A HA 0.345 4.665 4.320 -0.000 0.000 0.686 136 A C 1.335 178.935 177.584 0.027 0.000 0.138 136 A CA 0.643 52.694 52.037 0.024 0.000 0.024 136 A CB -1.306 17.706 19.000 0.020 0.000 3.974 136 A HN 1.411 nan 8.150 nan 0.000 0.548 137 G N 0.251 109.057 108.800 0.010 0.000 2.148 137 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.254 137 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.254 137 G C 1.599 176.505 174.900 0.010 0.000 0.981 137 G CA 1.676 46.775 45.100 -0.002 0.000 0.670 137 G HN 2.556 nan 8.290 nan 0.000 0.528 138 S N 0.646 116.374 115.700 0.047 0.000 2.368 138 S HA -0.188 4.282 4.470 -0.000 0.000 0.225 138 S C 2.271 176.958 174.600 0.145 0.000 1.030 138 S CA 1.582 59.845 58.200 0.106 0.000 0.999 138 S CB -0.418 62.872 63.200 0.150 0.000 0.844 138 S HN 1.050 nan 8.310 nan 0.000 0.459 139 R N 1.711 122.239 120.500 0.047 0.000 2.105 139 R HA -0.045 4.294 4.340 -0.000 0.000 0.239 139 R C 2.100 178.353 176.300 -0.078 0.000 1.135 139 R CA 1.688 57.717 56.100 -0.118 0.000 0.967 139 R CB -0.827 29.306 30.300 -0.278 0.000 0.861 139 R HN 0.447 nan 8.270 nan 0.000 0.442 140 L N 0.810 121.985 121.223 -0.080 0.000 2.095 140 L HA -0.044 4.295 4.340 -0.000 0.000 0.204 140 L C 2.583 179.343 176.870 -0.183 0.000 1.080 140 L CA 0.497 55.265 54.840 -0.120 0.000 0.759 140 L CB -0.242 41.746 42.059 -0.118 0.000 0.914 140 L HN -0.012 nan 8.230 nan 0.000 0.439 141 V N -0.763 119.056 119.914 -0.160 0.000 2.407 141 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 141 V C 2.740 178.734 176.094 -0.167 0.000 1.055 141 V CA 2.007 64.152 62.300 -0.258 0.000 1.049 141 V CB -0.480 31.317 31.823 -0.042 0.000 0.662 141 V HN 0.516 nan 8.190 nan 0.000 0.455 142 S N 0.097 115.796 115.700 -0.002 0.000 2.353 142 S HA -0.215 4.255 4.470 -0.000 0.000 0.222 142 S C 2.005 176.612 174.600 0.011 0.000 1.035 142 S CA 2.041 60.288 58.200 0.078 0.000 1.025 142 S CB -0.398 62.975 63.200 0.290 0.000 0.902 142 S HN 0.421 nan 8.310 nan 0.000 0.440 143 L N 1.384 122.586 121.223 -0.034 0.000 2.042 143 L HA 0.033 4.373 4.340 -0.000 0.000 0.210 143 L C 2.390 179.207 176.870 -0.090 0.000 1.076 143 L CA 2.053 56.862 54.840 -0.053 0.000 0.749 143 L CB -0.709 41.308 42.059 -0.070 0.000 0.893 143 L HN 0.428 nan 8.230 nan 0.000 0.432 144 M N -1.267 118.209 119.600 -0.207 0.000 2.132 144 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 144 M C 2.294 178.538 176.300 -0.093 0.000 1.065 144 M CA 1.550 56.702 55.300 -0.246 0.000 1.122 144 M CB -0.558 31.652 32.600 -0.650 0.000 1.365 144 M HN 0.427 nan 8.290 nan 0.000 0.411 145 A N 0.649 123.424 122.820 -0.075 0.000 1.908 145 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 145 A C 2.378 179.996 177.584 0.057 0.000 1.181 145 A CA 2.002 54.094 52.037 0.092 0.000 0.627 145 A CB -0.938 18.131 19.000 0.115 0.000 0.818 145 A HN 0.489 nan 8.150 nan 0.000 0.445 146 A N -0.698 122.136 122.820 0.023 0.000 1.865 146 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 146 A C 2.497 180.085 177.584 0.007 0.000 1.191 146 A CA 2.355 54.400 52.037 0.013 0.000 0.623 146 A CB -1.257 17.749 19.000 0.011 0.000 0.826 146 A HN 0.643 nan 8.150 nan 0.000 0.444 147 S N -0.611 115.095 115.700 0.009 0.000 2.380 147 S HA -0.181 4.289 4.470 -0.000 0.000 0.229 147 S C 1.912 176.533 174.600 0.034 0.000 1.043 147 S CA 1.854 60.066 58.200 0.020 0.000 1.038 147 S CB -0.500 62.715 63.200 0.025 0.000 0.872 147 S HN 0.453 nan 8.310 nan 0.000 0.456 148 L N 0.650 121.905 121.223 0.054 0.000 2.131 148 L HA 0.090 4.430 4.340 -0.000 0.000 0.206 148 L C 2.887 179.777 176.870 0.033 0.000 1.087 148 L CA 0.978 55.856 54.840 0.063 0.000 0.767 148 L CB -0.582 41.546 42.059 0.116 0.000 0.917 148 L HN 0.400 nan 8.230 nan 0.000 0.441 149 A N 0.008 122.841 122.820 0.022 0.000 1.972 149 A HA -0.150 4.169 4.320 -0.000 0.000 0.219 149 A C 2.232 179.793 177.584 -0.038 0.000 1.169 149 A CA 1.343 53.371 52.037 -0.014 0.000 0.635 149 A CB -0.597 18.387 19.000 -0.028 0.000 0.810 149 A HN 0.353 nan 8.150 nan 0.000 0.446 150 L N -0.944 120.262 121.223 -0.028 0.000 2.056 150 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 150 L C 3.081 179.941 176.870 -0.018 0.000 1.078 150 L CA 1.024 55.843 54.840 -0.035 0.000 0.749 150 L CB -0.473 41.574 42.059 -0.020 0.000 0.901 150 L HN 0.413 nan 8.230 nan 0.000 0.433 151 A N -0.239 122.583 122.820 0.002 0.000 1.902 151 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 151 A C 1.966 179.549 177.584 -0.000 0.000 1.181 151 A CA 2.092 54.135 52.037 0.010 0.000 0.623 151 A CB -0.658 18.355 19.000 0.021 0.000 0.818 151 A HN 0.423 nan 8.150 nan 0.000 0.443 152 D N -0.228 120.168 120.400 -0.007 0.000 2.178 152 D HA -0.014 4.626 4.640 -0.000 0.000 0.201 152 D C 1.772 178.055 176.300 -0.029 0.000 0.980 152 D CA 1.347 55.338 54.000 -0.014 0.000 0.842 152 D CB -0.131 40.659 40.800 -0.016 0.000 0.948 152 D HN 0.358 nan 8.370 nan 0.000 0.472 153 A N -0.866 121.927 122.820 -0.045 0.000 2.238 153 A HA 0.412 4.732 4.320 -0.000 0.000 0.208 153 A C 1.789 179.348 177.584 -0.042 0.000 1.177 153 A CA 0.934 52.934 52.037 -0.061 0.000 0.804 153 A CB -0.521 18.420 19.000 -0.099 0.000 0.823 153 A HN 0.409 nan 8.150 nan 0.000 0.482 154 G N -0.629 108.161 108.800 -0.017 0.000 2.176 154 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.252 154 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.252 154 G C 0.045 174.961 174.900 0.025 0.000 1.024 154 G CA 0.304 45.408 45.100 0.008 0.000 0.755 154 G HN 0.483 nan 8.290 nan 0.000 0.507 155 I N 1.705 122.280 120.570 0.008 0.000 2.396 155 I HA 0.223 4.392 4.170 -0.000 0.000 0.289 155 I C -1.657 174.518 176.117 0.095 0.000 1.056 155 I CA -2.089 59.234 61.300 0.039 0.000 1.365 155 I CB 1.025 39.003 38.000 -0.035 0.000 1.407 155 I HN -0.106 nan 8.210 nan 0.000 0.509 156 P HA 0.171 nan 4.420 nan 0.000 0.263 156 P C -0.795 176.566 177.300 0.103 0.000 1.195 156 P CA 0.343 63.516 63.100 0.122 0.000 0.762 156 P CB 0.484 32.261 31.700 0.129 0.000 0.799 157 M N 1.910 121.552 119.600 0.070 0.000 2.593 157 M HA 0.380 4.859 4.480 -0.000 0.000 0.290 157 M C 1.323 177.652 176.300 0.048 0.000 1.244 157 M CA -0.801 54.534 55.300 0.059 0.000 0.857 157 M CB 2.628 35.261 32.600 0.055 0.000 1.738 157 M HN 0.153 nan 8.290 nan 0.000 0.461 158 R N 0.338 120.862 120.500 0.040 0.000 2.091 158 R HA -0.054 4.285 4.340 -0.000 0.000 0.238 158 R C -0.036 176.290 176.300 0.044 0.000 1.136 158 R CA 1.340 57.460 56.100 0.033 0.000 0.959 158 R CB -0.012 30.302 30.300 0.023 0.000 0.856 158 R HN 0.606 nan 8.270 nan 0.000 0.437 159 D N -2.495 117.938 120.400 0.055 0.000 2.710 159 D HA 0.217 4.857 4.640 -0.000 0.000 0.276 159 D C -1.176 175.187 176.300 0.104 0.000 1.267 159 D CA -0.585 53.467 54.000 0.087 0.000 0.772 159 D CB 0.773 41.607 40.800 0.056 0.000 1.299 159 D HN -0.175 nan 8.370 nan 0.000 0.421 160 L N 0.799 122.132 121.223 0.182 0.000 2.472 160 L HA 0.435 4.775 4.340 -0.000 0.000 0.260 160 L C 0.329 177.283 176.870 0.140 0.000 1.209 160 L CA -0.473 54.473 54.840 0.178 0.000 0.817 160 L CB 0.384 42.589 42.059 0.243 0.000 1.106 160 L HN 0.331 nan 8.230 nan 0.000 0.479 161 I N 1.126 121.753 120.570 0.095 0.000 2.378 161 I HA 0.517 4.687 4.170 -0.000 0.000 0.291 161 I C -0.123 176.024 176.117 0.050 0.000 0.992 161 I CA -0.246 61.080 61.300 0.043 0.000 1.154 161 I CB 1.762 39.767 38.000 0.009 0.000 1.315 161 I HN 0.607 nan 8.210 nan 0.000 0.448 162 A N 4.493 127.331 122.820 0.029 0.000 2.386 162 A HA 0.954 5.274 4.320 -0.000 0.000 0.311 162 A C -0.391 177.180 177.584 -0.022 0.000 1.068 162 A CA -0.536 51.518 52.037 0.028 0.000 0.743 162 A CB 1.745 20.808 19.000 0.106 0.000 1.258 162 A HN 0.818 nan 8.150 nan 0.000 0.429 163 G N -0.410 108.360 108.800 -0.049 0.000 2.690 163 G HA2 0.756 4.716 3.960 -0.000 0.000 0.293 163 G HA3 0.756 4.716 3.960 -0.000 0.000 0.293 163 G C -1.157 173.712 174.900 -0.051 0.000 1.399 163 G CA 0.009 45.075 45.100 -0.056 0.000 0.890 163 G HN 1.858 nan 8.290 nan 0.000 0.485 164 V N -1.947 117.941 119.914 -0.044 0.000 3.087 164 V HA 0.890 5.010 4.120 -0.000 0.000 0.306 164 V C 0.116 176.177 176.094 -0.055 0.000 1.187 164 V CA -1.085 61.195 62.300 -0.033 0.000 0.999 164 V CB 1.321 33.141 31.823 -0.005 0.000 1.049 164 V HN 1.739 nan 8.190 nan 0.000 0.431 165 A N 2.181 124.973 122.820 -0.046 0.000 2.302 165 A HA 0.736 5.056 4.320 -0.000 0.000 0.295 165 A C -0.201 177.361 177.584 -0.037 0.000 1.235 165 A CA -0.354 51.647 52.037 -0.060 0.000 0.876 165 A CB 0.858 19.830 19.000 -0.046 0.000 1.133 165 A HN 1.523 nan 8.150 nan 0.000 0.533 166 V N 2.869 122.753 119.914 -0.050 0.000 2.837 166 V HA 0.898 5.018 4.120 -0.000 0.000 0.310 166 V C 0.624 176.708 176.094 -0.016 0.000 1.059 166 V CA 0.776 63.064 62.300 -0.020 0.000 1.004 166 V CB 1.823 33.641 31.823 -0.009 0.000 1.045 166 V HN 1.366 nan 8.190 nan 0.000 0.465 167 G N 3.650 112.454 108.800 0.007 0.000 2.682 167 G HA2 0.505 4.465 3.960 -0.000 0.000 0.303 167 G HA3 0.505 4.465 3.960 -0.000 0.000 0.303 167 G C -1.741 173.178 174.900 0.031 0.000 1.341 167 G CA -0.731 44.378 45.100 0.016 0.000 0.784 167 G HN 0.744 nan 8.290 nan 0.000 0.497 168 K N -0.365 120.057 120.400 0.037 0.000 2.426 168 K HA 0.676 4.996 4.320 -0.000 0.000 0.254 168 K C 0.459 177.087 176.600 0.047 0.000 0.936 168 K CA -0.254 56.058 56.287 0.043 0.000 0.801 168 K CB 1.824 34.352 32.500 0.047 0.000 1.139 168 K HN 0.589 nan 8.250 nan 0.000 0.424 169 A N 3.163 126.012 122.820 0.047 0.000 2.179 169 A HA 0.177 4.497 4.320 -0.000 0.000 0.224 169 A C -0.059 177.556 177.584 0.052 0.000 1.759 169 A CA 0.492 52.562 52.037 0.055 0.000 0.688 169 A CB -0.014 19.015 19.000 0.049 0.000 1.342 169 A HN 0.711 nan 8.150 nan 0.000 0.543 170 D N -0.721 119.702 120.400 0.039 0.000 2.863 170 D HA 0.437 5.077 4.640 -0.000 0.000 0.323 170 D C 0.672 176.989 176.300 0.029 0.000 1.286 170 D CA 0.791 54.811 54.000 0.033 0.000 0.921 170 D CB 0.163 40.975 40.800 0.022 0.000 1.024 170 D HN 0.732 nan 8.370 nan 0.000 0.505 171 G N -0.211 108.610 108.800 0.034 0.000 2.184 171 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.264 171 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.264 171 G C 0.375 175.295 174.900 0.032 0.000 0.975 171 G CA 0.217 45.336 45.100 0.032 0.000 0.642 171 G HN 0.392 nan 8.290 nan 0.000 0.536 172 V N 1.634 121.567 119.914 0.032 0.000 2.398 172 V HA 0.552 4.672 4.120 -0.000 0.000 0.286 172 V C 0.795 176.908 176.094 0.033 0.000 1.026 172 V CA -0.806 61.512 62.300 0.030 0.000 0.868 172 V CB 1.737 33.576 31.823 0.026 0.000 0.982 172 V HN 0.300 nan 8.190 nan 0.000 0.443 173 I N 6.471 127.060 120.570 0.032 0.000 2.416 173 I HA 0.360 4.529 4.170 -0.000 0.000 0.288 173 I C 0.033 176.168 176.117 0.030 0.000 1.051 173 I CA 0.305 61.625 61.300 0.033 0.000 1.375 173 I CB 0.536 38.556 38.000 0.034 0.000 1.407 173 I HN 0.598 nan 8.210 nan 0.000 0.516 174 I N 4.513 125.102 120.570 0.030 0.000 2.892 174 I HA 0.623 4.792 4.170 -0.000 0.000 0.306 174 I C -1.355 174.779 176.117 0.028 0.000 1.078 174 I CA -1.191 60.127 61.300 0.030 0.000 1.032 174 I CB 2.155 40.175 38.000 0.033 0.000 1.229 174 I HN 0.316 nan 8.210 nan 0.000 0.435 175 L N 3.662 124.903 121.223 0.031 0.000 2.305 175 L HA 0.580 4.920 4.340 -0.000 0.000 0.284 175 L C -0.878 176.014 176.870 0.036 0.000 1.013 175 L CA 0.384 55.242 54.840 0.030 0.000 0.819 175 L CB 1.024 43.104 42.059 0.035 0.000 1.227 175 L HN 0.825 nan 8.230 nan 0.000 0.417 176 D N 3.824 124.242 120.400 0.029 0.000 4.248 176 D HA -0.163 4.477 4.640 -0.000 0.000 0.248 176 D C -1.247 175.076 176.300 0.039 0.000 1.056 176 D CA 0.635 54.657 54.000 0.036 0.000 1.191 176 D CB -0.349 40.485 40.800 0.056 0.000 0.870 176 D HN 0.527 nan 8.370 nan 0.000 0.410 177 L N 2.572 123.812 121.223 0.029 0.000 2.397 177 L HA 0.317 4.657 4.340 -0.000 0.000 0.271 177 L C 1.557 178.451 176.870 0.041 0.000 1.148 177 L CA -0.486 54.374 54.840 0.034 0.000 0.825 177 L CB 0.498 42.571 42.059 0.023 0.000 1.117 177 L HN 0.353 nan 8.230 nan 0.000 0.456 178 N N 1.013 119.743 118.700 0.049 0.000 2.326 178 N HA -0.072 4.668 4.740 -0.000 0.000 0.239 178 N C 0.985 176.526 175.510 0.051 0.000 1.301 178 N CA -0.187 52.896 53.050 0.055 0.000 0.909 178 N CB 0.899 39.427 38.487 0.067 0.000 1.156 178 N HN 0.635 nan 8.380 nan 0.000 0.462 179 E N 0.033 120.264 120.200 0.051 0.000 2.110 179 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 179 E C 0.994 177.634 176.600 0.066 0.000 0.988 179 E CA 1.321 57.746 56.400 0.042 0.000 0.804 179 E CB 0.106 29.830 29.700 0.041 0.000 0.745 179 E HN 0.601 nan 8.360 nan 0.000 0.458 180 T N 0.731 115.354 114.554 0.115 0.000 2.708 180 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 180 T C 1.566 176.412 174.700 0.243 0.000 1.037 180 T CA 1.593 63.825 62.100 0.220 0.000 1.146 180 T CB -0.221 68.758 68.868 0.185 0.000 0.865 180 T HN 0.277 nan 8.240 nan 0.000 0.435 181 E N 0.659 120.945 120.200 0.144 0.000 2.072 181 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 181 E C 2.152 178.802 176.600 0.083 0.000 0.985 181 E CA 0.890 57.363 56.400 0.121 0.000 0.801 181 E CB -0.097 29.651 29.700 0.080 0.000 0.750 181 E HN 0.302 nan 8.360 nan 0.000 0.452 182 D N 0.633 121.057 120.400 0.041 0.000 2.104 182 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 182 D C 1.951 178.216 176.300 -0.058 0.000 0.994 182 D CA 1.096 55.092 54.000 -0.007 0.000 0.830 182 D CB -0.043 40.746 40.800 -0.018 0.000 0.959 182 D HN 0.099 nan 8.370 nan 0.000 0.452 183 M N -1.596 117.941 119.600 -0.104 0.000 2.159 183 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 183 M C 0.995 176.978 176.300 -0.528 0.000 1.063 183 M CA 1.701 56.779 55.300 -0.369 0.000 1.110 183 M CB -0.009 32.329 32.600 -0.437 0.000 1.374 183 M HN 0.104 nan 8.290 nan 0.000 0.411 184 W N -0.944 120.359 121.300 0.005 0.000 2.714 184 W HA 0.389 5.049 4.660 -0.000 0.000 0.353 184 W C 0.941 177.464 176.519 0.006 0.000 0.999 184 W CA -0.419 56.929 57.345 0.006 0.000 1.629 184 W CB -0.203 29.261 29.460 0.006 0.000 1.106 184 W HN 0.091 nan 8.180 nan 0.000 0.545 185 G N 0.717 109.617 108.800 0.167 0.000 2.599 185 G HA2 0.166 4.126 3.960 -0.000 0.000 0.264 185 G HA3 0.166 4.126 3.960 -0.000 0.000 0.264 185 G C 0.305 175.250 174.900 0.076 0.000 1.200 185 G CA -0.184 44.984 45.100 0.112 0.000 0.896 185 G HN 0.089 nan 8.290 nan 0.000 0.536 186 E N -0.436 119.802 120.200 0.063 0.000 2.230 186 E HA 0.336 4.686 4.350 -0.000 0.000 0.192 186 E C 1.023 177.641 176.600 0.031 0.000 0.987 186 E CA 1.039 57.467 56.400 0.047 0.000 0.841 186 E CB 0.415 30.143 29.700 0.047 0.000 0.783 186 E HN 0.589 nan 8.360 nan 0.000 0.481 187 A N 0.323 123.161 122.820 0.030 0.000 2.572 187 A HA 0.584 4.904 4.320 -0.000 0.000 0.295 187 A C -1.753 175.836 177.584 0.008 0.000 1.072 187 A CA -0.737 51.311 52.037 0.019 0.000 0.691 187 A CB 1.651 20.671 19.000 0.033 0.000 1.291 187 A HN -0.043 nan 8.150 nan 0.000 0.404 188 D N 1.157 121.551 120.400 -0.011 0.000 2.602 188 D HA 0.441 5.081 4.640 -0.000 0.000 0.245 188 D C -1.139 175.127 176.300 -0.057 0.000 1.325 188 D CA 0.024 54.006 54.000 -0.029 0.000 0.952 188 D CB 1.115 41.895 40.800 -0.034 0.000 1.317 188 D HN 0.500 nan 8.370 nan 0.000 0.577 189 M N 5.741 125.291 119.600 -0.082 0.000 1.998 189 M HA 0.381 4.861 4.480 -0.000 0.000 0.289 189 M C -2.748 173.412 176.300 -0.234 0.000 0.886 189 M CA -1.781 53.421 55.300 -0.165 0.000 0.853 189 M CB 1.742 34.255 32.600 -0.145 0.000 1.462 189 M HN 0.049 nan 8.290 nan 0.000 0.375 190 P HA 0.252 nan 4.420 nan 0.000 0.271 190 P C -1.115 175.987 177.300 -0.330 0.000 1.226 190 P CA 0.303 63.276 63.100 -0.212 0.000 0.765 190 P CB 0.654 32.260 31.700 -0.156 0.000 0.835 191 I N 2.370 122.784 120.570 -0.260 0.000 2.533 191 I HA 0.651 4.821 4.170 -0.000 0.000 0.290 191 I C -0.252 175.821 176.117 -0.073 0.000 1.056 191 I CA -0.868 60.290 61.300 -0.236 0.000 1.057 191 I CB 2.321 40.196 38.000 -0.207 0.000 1.240 191 I HN 0.300 nan 8.210 nan 0.000 0.423 192 A N 7.513 130.326 122.820 -0.011 0.000 2.449 192 A HA 0.975 5.295 4.320 -0.000 0.000 0.302 192 A C -0.783 176.822 177.584 0.036 0.000 1.048 192 A CA -0.609 51.426 52.037 -0.003 0.000 0.708 192 A CB 1.748 20.730 19.000 -0.029 0.000 1.274 192 A HN 0.703 nan 8.150 nan 0.000 0.410 193 M N 1.451 121.054 119.600 0.005 0.000 2.658 193 M HA 0.524 5.004 4.480 -0.000 0.000 0.295 193 M C -0.790 175.476 176.300 -0.057 0.000 1.248 193 M CA -0.499 54.796 55.300 -0.009 0.000 0.843 193 M CB 2.083 34.667 32.600 -0.026 0.000 1.749 193 M HN 0.589 nan 8.290 nan 0.000 0.464 194 M N 2.003 121.564 119.600 -0.065 0.000 2.435 194 M HA 0.233 4.713 4.480 -0.000 0.000 0.344 194 M C -1.940 174.231 176.300 -0.214 0.000 1.329 194 M CA -1.581 53.653 55.300 -0.109 0.000 1.320 194 M CB 0.352 32.925 32.600 -0.046 0.000 1.309 194 M HN 0.283 nan 8.290 nan 0.000 0.451 195 P HA -0.086 nan 4.420 nan 0.000 0.218 195 P C 1.138 178.194 177.300 -0.407 0.000 1.149 195 P CA 1.216 64.001 63.100 -0.525 0.000 0.817 195 P CB 0.270 31.364 31.700 -1.009 0.000 0.785 196 S N -0.863 114.599 115.700 -0.397 0.000 2.402 196 S HA -0.027 4.443 4.470 -0.000 0.000 0.229 196 S C 1.567 176.121 174.600 -0.077 0.000 1.021 196 S CA 0.985 59.109 58.200 -0.127 0.000 0.974 196 S CB -0.805 62.408 63.200 0.022 0.000 0.800 196 S HN 0.138 nan 8.310 nan 0.000 0.484 197 L N 0.791 121.964 121.223 -0.084 0.000 2.592 197 L HA 0.240 4.580 4.340 -0.000 0.000 0.227 197 L C -0.009 176.830 176.870 -0.052 0.000 1.127 197 L CA -0.034 54.776 54.840 -0.049 0.000 0.884 197 L CB -0.562 41.478 42.059 -0.031 0.000 1.065 197 L HN 0.262 nan 8.230 nan 0.000 0.457 198 N N 0.441 119.094 118.700 -0.079 0.000 2.710 198 N HA -0.194 4.545 4.740 -0.000 0.000 0.249 198 N C -0.385 175.107 175.510 -0.029 0.000 1.059 198 N CA 0.275 53.285 53.050 -0.067 0.000 0.720 198 N CB -0.553 37.896 38.487 -0.063 0.000 0.983 198 N HN 0.313 nan 8.380 nan 0.000 0.544 199 Q N 0.573 120.359 119.800 -0.024 0.000 2.325 199 Q HA 0.371 4.711 4.340 -0.000 0.000 0.262 199 Q C -0.316 175.703 176.000 0.031 0.000 0.968 199 Q CA -0.513 55.294 55.803 0.006 0.000 0.877 199 Q CB 1.987 30.724 28.738 -0.001 0.000 1.253 199 Q HN 0.082 nan 8.270 nan 0.000 0.448 200 V N 2.690 122.650 119.914 0.077 0.000 2.508 200 V HA 0.084 4.203 4.120 -0.000 0.000 0.281 200 V C 1.200 177.348 176.094 0.091 0.000 1.041 200 V CA 0.376 62.753 62.300 0.128 0.000 1.016 200 V CB 1.177 33.139 31.823 0.232 0.000 0.984 200 V HN 0.839 nan 8.190 nan 0.000 0.478 201 T N 4.343 118.945 114.554 0.079 0.000 3.046 201 T HA 0.295 4.645 4.350 -0.000 0.000 0.242 201 T C 0.207 174.939 174.700 0.054 0.000 1.018 201 T CA 0.393 62.523 62.100 0.049 0.000 1.131 201 T CB 0.095 68.978 68.868 0.024 0.000 0.904 201 T HN 0.405 nan 8.240 nan 0.000 0.459 202 L N 0.892 122.156 121.223 0.067 0.000 2.408 202 L HA 0.692 5.032 4.340 -0.000 0.000 0.268 202 L C -2.030 174.913 176.870 0.123 0.000 0.986 202 L CA -1.045 53.829 54.840 0.056 0.000 0.820 202 L CB 2.213 44.265 42.059 -0.012 0.000 1.303 202 L HN 0.155 nan 8.230 nan 0.000 0.411 203 F N 3.730 123.658 119.950 -0.036 0.000 2.787 203 F HA 0.470 4.997 4.527 -0.000 0.000 0.340 203 F C -1.001 174.767 175.800 -0.054 0.000 1.232 203 F CA -0.128 57.845 58.000 -0.046 0.000 1.051 203 F CB 1.545 40.513 39.000 -0.054 0.000 1.330 203 F HN 0.472 nan 8.300 nan 0.000 0.522 204 Q N 4.861 124.587 119.800 -0.123 0.000 2.389 204 Q HA 0.672 5.012 4.340 -0.000 0.000 0.277 204 Q C -2.011 173.923 176.000 -0.110 0.000 1.082 204 Q CA -1.269 54.512 55.803 -0.036 0.000 0.810 204 Q CB 3.522 32.221 28.738 -0.065 0.000 1.374 204 Q HN 0.616 nan 8.270 nan 0.000 0.422 205 L N 2.257 123.471 121.223 -0.015 0.000 2.406 205 L HA 0.530 4.870 4.340 -0.000 0.000 0.272 205 L C -1.813 175.044 176.870 -0.023 0.000 0.980 205 L CA -0.205 54.620 54.840 -0.025 0.000 0.831 205 L CB 1.684 43.763 42.059 0.033 0.000 1.253 205 L HN 0.728 nan 8.230 nan 0.000 0.406 206 N N 3.732 122.412 118.700 -0.033 0.000 2.372 206 N HA 0.941 5.681 4.740 -0.000 0.000 0.291 206 N C 0.074 175.572 175.510 -0.020 0.000 1.024 206 N CA 0.043 53.075 53.050 -0.029 0.000 0.873 206 N CB 2.165 40.629 38.487 -0.038 0.000 1.206 206 N HN 1.037 nan 8.380 nan 0.000 0.486 207 G N 0.043 108.834 108.800 -0.015 0.000 2.358 207 G HA2 0.160 4.120 3.960 -0.000 0.000 0.198 207 G HA3 0.160 4.120 3.960 -0.000 0.000 0.198 207 G C -1.318 173.583 174.900 0.001 0.000 1.220 207 G CA -0.322 44.775 45.100 -0.005 0.000 1.187 207 G HN 0.930 nan 8.290 nan 0.000 0.544 208 S N -0.500 115.208 115.700 0.013 0.000 2.543 208 S HA 0.794 5.264 4.470 -0.000 0.000 0.271 208 S C -0.656 173.963 174.600 0.032 0.000 1.148 208 S CA -0.277 57.931 58.200 0.015 0.000 0.914 208 S CB 0.976 64.184 63.200 0.014 0.000 1.096 208 S HN 0.762 nan 8.310 nan 0.000 0.471 209 M N 2.676 122.297 119.600 0.035 0.000 2.465 209 M HA 0.294 4.774 4.480 -0.000 0.000 0.284 209 M C -0.372 175.962 176.300 0.058 0.000 1.212 209 M CA -0.670 54.669 55.300 0.065 0.000 0.910 209 M CB 2.501 35.171 32.600 0.115 0.000 1.725 209 M HN 0.762 nan 8.290 nan 0.000 0.477 210 T N -1.475 113.122 114.554 0.071 0.000 2.868 210 T HA 0.328 4.678 4.350 -0.000 0.000 0.292 210 T C -2.212 172.559 174.700 0.117 0.000 1.028 210 T CA -1.315 60.825 62.100 0.068 0.000 1.059 210 T CB 0.643 69.547 68.868 0.060 0.000 0.991 210 T HN 0.343 nan 8.240 nan 0.000 0.531 211 P HA -0.117 nan 4.420 nan 0.000 0.216 211 P C 1.107 178.559 177.300 0.253 0.000 1.154 211 P CA 1.091 64.299 63.100 0.181 0.000 0.865 211 P CB 0.008 31.772 31.700 0.107 0.000 0.789 212 D N -0.518 119.973 120.400 0.152 0.000 2.092 212 D HA -0.168 4.472 4.640 -0.000 0.000 0.193 212 D C 1.928 178.301 176.300 0.121 0.000 0.994 212 D CA 1.205 55.276 54.000 0.119 0.000 0.828 212 D CB -0.590 40.257 40.800 0.078 0.000 0.963 212 D HN 0.306 nan 8.370 nan 0.000 0.450 213 E N -0.462 119.813 120.200 0.125 0.000 2.118 213 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 213 E C 1.952 178.643 176.600 0.152 0.000 0.992 213 E CA 0.529 56.998 56.400 0.115 0.000 0.804 213 E CB -0.229 29.533 29.700 0.104 0.000 0.741 213 E HN 0.279 nan 8.360 nan 0.000 0.458 214 F N 1.677 121.665 119.950 0.064 0.000 2.095 214 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 214 F C 2.206 178.093 175.800 0.146 0.000 1.104 214 F CA 1.561 59.608 58.000 0.080 0.000 1.232 214 F CB -0.065 38.968 39.000 0.055 0.000 0.987 214 F HN -0.234 nan 8.300 nan 0.000 0.475 215 R N -0.089 120.351 120.500 -0.100 0.000 2.092 215 R HA -0.134 4.206 4.340 -0.000 0.000 0.231 215 R C 2.373 178.645 176.300 -0.047 0.000 1.119 215 R CA 1.750 57.764 56.100 -0.144 0.000 0.970 215 R CB -0.335 29.980 30.300 0.025 0.000 0.864 215 R HN 0.470 nan 8.270 nan 0.000 0.440 216 Q N -0.436 119.364 119.800 -0.000 0.000 2.050 216 Q HA -0.124 4.215 4.340 -0.000 0.000 0.202 216 Q C 2.187 178.196 176.000 0.014 0.000 0.980 216 Q CA 1.662 57.470 55.803 0.009 0.000 0.840 216 Q CB -0.141 28.613 28.738 0.026 0.000 0.898 216 Q HN 0.355 nan 8.270 nan 0.000 0.424 217 A N 0.719 123.554 122.820 0.025 0.000 1.908 217 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 217 A C 1.886 179.517 177.584 0.078 0.000 1.181 217 A CA 1.179 53.239 52.037 0.038 0.000 0.627 217 A CB -0.824 18.201 19.000 0.042 0.000 0.818 217 A HN 0.421 nan 8.150 nan 0.000 0.445 218 F N 1.566 121.406 119.950 -0.183 0.000 2.120 218 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 218 F C 1.775 177.510 175.800 -0.108 0.000 1.095 218 F CA 1.839 59.732 58.000 -0.178 0.000 1.249 218 F CB -0.678 38.099 39.000 -0.371 0.000 0.995 218 F HN 0.290 nan 8.300 nan 0.000 0.480 219 D N -0.003 120.362 120.400 -0.059 0.000 2.117 219 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 219 D C 2.345 178.604 176.300 -0.068 0.000 0.987 219 D CA 1.082 55.004 54.000 -0.130 0.000 0.829 219 D CB -0.626 40.119 40.800 -0.091 0.000 0.961 219 D HN 0.291 nan 8.370 nan 0.000 0.460 220 L N 0.784 121.997 121.223 -0.017 0.000 2.093 220 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 220 L C 2.112 178.985 176.870 0.005 0.000 1.085 220 L CA 1.335 56.173 54.840 -0.002 0.000 0.755 220 L CB -0.656 41.411 42.059 0.012 0.000 0.904 220 L HN -0.047 nan 8.230 nan 0.000 0.435 221 A N -1.231 121.604 122.820 0.026 0.000 1.902 221 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 221 A C 2.257 179.844 177.584 0.006 0.000 1.181 221 A CA 1.953 54.010 52.037 0.033 0.000 0.623 221 A CB -1.032 18.023 19.000 0.091 0.000 0.818 221 A HN 0.278 nan 8.150 nan 0.000 0.443 222 V N 0.456 120.349 119.914 -0.034 0.000 2.295 222 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 222 V C 2.449 178.514 176.094 -0.048 0.000 1.049 222 V CA 2.372 64.628 62.300 -0.072 0.000 1.024 222 V CB -0.708 31.021 31.823 -0.157 0.000 0.648 222 V HN 0.570 nan 8.190 nan 0.000 0.447 223 K N 0.343 120.721 120.400 -0.037 0.000 2.057 223 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 223 K C 2.309 178.906 176.600 -0.006 0.000 1.049 223 K CA 1.480 57.755 56.287 -0.019 0.000 0.931 223 K CB -0.684 31.809 32.500 -0.012 0.000 0.714 223 K HN 0.541 nan 8.250 nan 0.000 0.440 224 G N 1.961 110.761 108.800 0.001 0.000 2.421 224 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 224 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 224 G C 1.574 176.475 174.900 0.000 0.000 1.171 224 G CA 0.686 45.791 45.100 0.007 0.000 0.775 224 G HN 0.121 nan 8.290 nan 0.000 0.543 225 I N 1.134 121.703 120.570 -0.001 0.000 2.208 225 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 225 I C 2.531 178.662 176.117 0.023 0.000 1.097 225 I CA 1.005 62.306 61.300 0.002 0.000 1.363 225 I CB -0.179 37.810 38.000 -0.018 0.000 1.051 225 I HN 0.087 nan 8.210 nan 0.000 0.413 226 N N 0.770 119.474 118.700 0.008 0.000 2.149 226 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 226 N C 1.873 177.420 175.510 0.061 0.000 1.019 226 N CA 1.445 54.524 53.050 0.047 0.000 0.857 226 N CB -0.300 38.197 38.487 0.016 0.000 0.997 226 N HN 0.386 nan 8.380 nan 0.000 0.426 227 I N 0.804 121.371 120.570 -0.004 0.000 2.202 227 I HA -0.194 3.975 4.170 -0.000 0.000 0.242 227 I C 1.983 178.017 176.117 -0.139 0.000 1.091 227 I CA 0.801 62.050 61.300 -0.085 0.000 1.368 227 I CB -0.190 37.735 38.000 -0.125 0.000 1.058 227 I HN 0.003 nan 8.210 nan 0.000 0.410 228 I N -0.248 120.275 120.570 -0.078 0.000 2.208 228 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 228 I C 2.610 178.761 176.117 0.056 0.000 1.097 228 I CA 1.531 62.813 61.300 -0.030 0.000 1.363 228 I CB -0.518 37.522 38.000 0.065 0.000 1.051 228 I HN 0.208 nan 8.210 nan 0.000 0.413 229 Y N 2.326 122.601 120.300 -0.042 0.000 2.165 229 Y HA -0.300 4.249 4.550 -0.000 0.000 0.286 229 Y C 2.415 178.295 175.900 -0.034 0.000 1.155 229 Y CA 1.643 59.730 58.100 -0.022 0.000 1.164 229 Y CB -0.538 37.909 38.460 -0.021 0.000 0.978 229 Y HN 0.222 nan 8.280 nan 0.000 0.513 230 N N 0.279 118.923 118.700 -0.094 0.000 2.166 230 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 230 N C 1.955 177.358 175.510 -0.177 0.000 1.019 230 N CA 1.635 54.577 53.050 -0.181 0.000 0.856 230 N CB -0.467 37.964 38.487 -0.094 0.000 0.993 230 N HN 0.418 nan 8.380 nan 0.000 0.426 231 L N 1.369 122.495 121.223 -0.161 0.000 2.056 231 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 231 L C 2.215 179.007 176.870 -0.130 0.000 1.078 231 L CA 1.040 55.784 54.840 -0.161 0.000 0.749 231 L CB -0.376 41.551 42.059 -0.220 0.000 0.901 231 L HN 0.139 nan 8.230 nan 0.000 0.433 232 E N -0.073 120.073 120.200 -0.091 0.000 2.058 232 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 232 E C 2.372 178.902 176.600 -0.117 0.000 0.997 232 E CA 0.947 57.318 56.400 -0.048 0.000 0.801 232 E CB -0.102 29.621 29.700 0.039 0.000 0.746 232 E HN 0.337 nan 8.360 nan 0.000 0.450 233 R N 0.630 120.992 120.500 -0.231 0.000 2.091 233 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 233 R C 2.283 178.503 176.300 -0.133 0.000 1.136 233 R CA 1.357 57.320 56.100 -0.228 0.000 0.959 233 R CB -0.180 29.916 30.300 -0.339 0.000 0.856 233 R HN 0.096 nan 8.270 nan 0.000 0.437 234 E N 0.479 120.608 120.200 -0.119 0.000 2.107 234 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 234 E C 1.679 178.244 176.600 -0.058 0.000 0.982 234 E CA 1.374 57.728 56.400 -0.076 0.000 0.809 234 E CB -0.138 29.522 29.700 -0.068 0.000 0.756 234 E HN 0.295 nan 8.360 nan 0.000 0.459 235 A N 0.215 122.992 122.820 -0.072 0.000 1.972 235 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 235 A C 2.064 179.631 177.584 -0.028 0.000 1.169 235 A CA 1.231 53.233 52.037 -0.059 0.000 0.635 235 A CB -0.579 18.371 19.000 -0.084 0.000 0.810 235 A HN 0.339 nan 8.150 nan 0.000 0.446 236 L N -0.589 120.613 121.223 -0.034 0.000 2.093 236 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 236 L C 2.287 179.149 176.870 -0.013 0.000 1.085 236 L CA 2.038 56.866 54.840 -0.021 0.000 0.755 236 L CB -0.448 41.592 42.059 -0.032 0.000 0.904 236 L HN 0.337 nan 8.230 nan 0.000 0.435 237 K N -1.381 119.008 120.400 -0.018 0.000 2.098 237 K HA 0.003 4.323 4.320 -0.000 0.000 0.203 237 K C 1.953 178.555 176.600 0.004 0.000 1.051 237 K CA 1.350 57.632 56.287 -0.009 0.000 0.957 237 K CB -0.093 32.398 32.500 -0.015 0.000 0.738 237 K HN 0.374 nan 8.250 nan 0.000 0.447 238 S N -0.254 115.453 115.700 0.011 0.000 2.524 238 S HA 0.185 4.655 4.470 -0.000 0.000 0.215 238 S C 0.569 175.206 174.600 0.061 0.000 0.986 238 S CA -0.005 58.215 58.200 0.034 0.000 0.911 238 S CB 0.360 63.586 63.200 0.043 0.000 0.805 238 S HN 0.104 nan 8.310 nan 0.000 0.501 239 K N -1.122 119.307 120.400 0.048 0.000 3.572 239 K HA -0.200 4.120 4.320 -0.000 0.000 0.306 239 K C -0.639 176.043 176.600 0.137 0.000 1.286 239 K CA 1.669 57.997 56.287 0.068 0.000 1.010 239 K CB -1.906 30.631 32.500 0.062 0.000 1.268 239 K HN 0.739 nan 8.250 nan 0.000 0.438 240 Y N -1.121 119.162 120.300 -0.029 0.000 2.399 240 Y HA 0.538 5.088 4.550 -0.000 0.000 0.327 240 Y C -1.509 174.369 175.900 -0.036 0.000 1.111 240 Y CA -0.946 57.134 58.100 -0.034 0.000 1.047 240 Y CB 1.816 40.261 38.460 -0.023 0.000 1.259 240 Y HN -0.234 nan 8.280 nan 0.000 0.434 241 V N 5.844 125.424 119.914 -0.556 0.000 2.668 241 V HA 0.398 4.518 4.120 -0.000 0.000 0.304 241 V C -1.136 174.681 176.094 -0.462 0.000 1.071 241 V CA -0.819 61.271 62.300 -0.349 0.000 0.894 241 V CB 2.097 33.792 31.823 -0.213 0.000 1.008 241 V HN 0.770 nan 8.190 nan 0.000 0.425 242 E N 3.673 123.734 120.200 -0.231 0.000 2.199 242 E HA 0.601 4.951 4.350 -0.000 0.000 0.269 242 E C -1.662 174.969 176.600 0.050 0.000 0.899 242 E CA -0.593 55.738 56.400 -0.115 0.000 0.772 242 E CB 2.825 32.502 29.700 -0.039 0.000 1.155 242 E HN 0.517 nan 8.360 nan 0.000 0.408 243 F N 1.955 121.839 119.950 -0.109 0.000 2.612 243 F HA 0.425 4.952 4.527 -0.000 0.000 0.332 243 F C -0.344 175.431 175.800 -0.043 0.000 1.167 243 F CA -0.597 57.363 58.000 -0.067 0.000 0.970 243 F CB 0.494 39.451 39.000 -0.071 0.000 1.234 243 F HN 0.372 nan 8.300 nan 0.000 0.453 244 K N 4.402 124.463 120.400 -0.565 0.000 2.295 244 K HA 0.312 4.632 4.320 -0.000 0.000 0.270 244 K C 0.065 176.183 176.600 -0.802 0.000 1.011 244 K CA -0.335 55.662 56.287 -0.484 0.000 0.953 244 K CB 0.079 32.395 32.500 -0.307 0.000 0.956 244 K HN 0.801 nan 8.250 nan 0.000 0.477 245 E N 1.276 121.251 120.200 -0.374 0.000 2.481 245 E HA 0.126 4.476 4.350 -0.000 0.000 0.263 245 E C 0.080 176.537 176.600 -0.239 0.000 0.992 245 E CA 0.649 56.919 56.400 -0.216 0.000 0.938 245 E CB 0.195 29.860 29.700 -0.059 0.000 0.933 245 E HN 0.738 nan 8.360 nan 0.000 0.453 246 E N 0.410 120.571 120.200 -0.065 0.000 2.429 246 E HA 0.441 4.790 4.350 -0.000 0.000 0.280 246 E C -0.609 176.059 176.600 0.113 0.000 1.068 246 E CA -1.140 55.266 56.400 0.011 0.000 0.837 246 E CB 0.519 30.200 29.700 -0.032 0.000 1.357 246 E HN 0.425 nan 8.360 nan 0.000 0.455 247 G N 0.684 109.528 108.800 0.075 0.000 2.544 247 G HA2 0.352 4.312 3.960 -0.000 0.000 0.242 247 G HA3 0.352 4.312 3.960 -0.000 0.000 0.242 247 G C 0.173 175.126 174.900 0.087 0.000 1.247 247 G CA -0.413 44.730 45.100 0.071 0.000 0.840 247 G HN 0.286 nan 8.290 nan 0.000 0.578 248 V N 0.000 119.955 119.914 0.069 0.000 2.409 248 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 248 V CA 0.000 62.333 62.300 0.056 0.000 1.235 248 V CB 0.000 31.846 31.823 0.038 0.000 1.184 248 V HN 0.000 nan 8.190 nan 0.000 0.556