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 3kou_1_A DATA FIRST_RESID 41 DATA SEQUENCE RWHGAGSTAD FQKIIQERcD TYTQTIRPGS RSRNcQAIRQ AFMSAFISKD DATA SEQUENCE PcKATKEDYN SLINLAPPTV PcGQQVFWSK TKELAHEYAK RRRLMTLEDT DATA SEQUENCE LLGYLADGLR WcGEPGSSDL NIWScPDWRK DcRTNYLSVF WEVLSERFAE DATA SEQUENCE SAcNTVRVVL NGSLENAFDS MSIFGRVEAP NLRPQVELEA WLVHDTGKPP DATA SEQUENCE SDScSGSSIR KLKSILDGRN VKFRcMDNLS RDQFLQR 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 41 R HA 0.000 nan 4.340 nan 0.000 0.208 41 R C 0.000 175.953 176.300 -0.579 0.000 0.893 41 R CA 0.000 55.867 56.100 -0.389 0.000 0.921 41 R CB 0.000 30.021 30.300 -0.464 0.000 0.687 42 W N 1.350 122.619 121.300 -0.051 0.000 2.630 42 W HA 0.498 5.159 4.660 0.002 0.000 0.365 42 W C 1.732 178.158 176.519 -0.156 0.000 1.270 42 W CA -0.765 56.542 57.345 -0.063 0.000 1.291 42 W CB 0.256 29.742 29.460 0.043 0.000 1.440 42 W HN -0.073 nan 8.180 nan 0.000 0.652 43 H N -0.152 119.123 119.070 0.341 0.000 2.562 43 H HA 0.173 4.730 4.556 0.001 0.000 0.267 43 H C 0.801 176.226 175.328 0.162 0.000 0.959 43 H CA 0.497 56.661 56.048 0.193 0.000 1.204 43 H CB 0.138 29.992 29.762 0.153 0.000 1.430 43 H HN 0.412 nan 8.280 nan 0.000 0.545 44 G N 0.432 109.396 108.800 0.273 0.000 2.451 44 G HA2 0.451 4.412 3.960 0.001 0.000 0.303 44 G HA3 0.451 4.412 3.960 0.001 0.000 0.303 44 G C -0.124 174.857 174.900 0.135 0.000 1.166 44 G CA -0.052 45.145 45.100 0.161 0.000 0.884 44 G HN 0.314 nan 8.290 nan 0.000 0.514 45 A N -0.153 122.723 122.820 0.092 0.000 2.520 45 A HA 0.546 4.867 4.320 0.001 0.000 0.235 45 A C 1.211 178.840 177.584 0.076 0.000 1.065 45 A CA 0.572 52.659 52.037 0.083 0.000 0.764 45 A CB -0.145 18.889 19.000 0.057 0.000 1.002 45 A HN 1.360 nan 8.150 nan 0.000 0.502 46 G N 0.499 109.355 108.800 0.094 0.000 2.653 46 G HA2 0.436 4.397 3.960 0.001 0.000 0.265 46 G HA3 0.436 4.397 3.960 0.001 0.000 0.265 46 G C 0.294 175.208 174.900 0.023 0.000 1.237 46 G CA -0.032 45.115 45.100 0.079 0.000 0.946 46 G HN 0.878 nan 8.290 nan 0.000 0.522 47 S N -0.727 114.972 115.700 -0.001 0.000 2.572 47 S HA 0.216 4.687 4.470 0.001 0.000 0.279 47 S C 0.728 175.338 174.600 0.015 0.000 1.341 47 S CA -0.215 57.971 58.200 -0.022 0.000 1.043 47 S CB 0.668 63.841 63.200 -0.044 0.000 0.887 47 S HN 0.629 nan 8.310 nan 0.000 0.516 48 T N 3.405 117.998 114.554 0.065 0.000 2.866 48 T HA 0.199 4.549 4.350 0.001 0.000 0.293 48 T C 0.602 175.360 174.700 0.096 0.000 1.005 48 T CA -0.116 62.048 62.100 0.107 0.000 1.162 48 T CB -0.012 68.978 68.868 0.204 0.000 0.968 48 T HN 0.742 nan 8.240 nan 0.000 0.530 49 A N 3.927 126.775 122.820 0.046 0.000 2.511 49 A HA 0.307 4.628 4.320 0.001 0.000 0.242 49 A C 0.954 178.564 177.584 0.043 0.000 1.069 49 A CA -0.455 51.594 52.037 0.021 0.000 0.763 49 A CB -0.123 18.876 19.000 -0.002 0.000 1.001 49 A HN 0.956 nan 8.150 nan 0.000 0.498 50 D N 0.517 120.940 120.400 0.038 0.000 2.907 50 D HA -0.229 4.412 4.640 0.001 0.000 0.226 50 D C 0.321 176.643 176.300 0.036 0.000 1.141 50 D CA 1.237 55.252 54.000 0.024 0.000 0.779 50 D CB -1.725 39.071 40.800 -0.007 0.000 1.095 50 D HN 0.683 nan 8.370 nan 0.000 0.430 51 F N 1.117 121.026 119.950 -0.069 0.000 2.085 51 F HA -0.312 4.215 4.527 0.001 0.000 0.299 51 F C 2.572 178.277 175.800 -0.157 0.000 1.096 51 F CA 2.812 60.746 58.000 -0.110 0.000 1.227 51 F CB -0.195 38.756 39.000 -0.082 0.000 0.983 51 F HN 0.170 nan 8.300 nan 0.000 0.482 52 Q N 0.400 120.155 119.800 -0.075 0.000 2.096 52 Q HA -0.291 4.050 4.340 0.001 0.000 0.204 52 Q C 2.440 178.303 176.000 -0.229 0.000 0.982 52 Q CA 2.130 57.823 55.803 -0.183 0.000 0.850 52 Q CB -0.369 28.348 28.738 -0.035 0.000 0.901 52 Q HN 0.557 nan 8.270 nan 0.000 0.422 53 K N 0.166 120.478 120.400 -0.148 0.000 2.057 53 K HA -0.127 4.194 4.320 0.001 0.000 0.206 53 K C 2.054 178.556 176.600 -0.164 0.000 1.050 53 K CA 1.243 57.455 56.287 -0.124 0.000 0.935 53 K CB -0.139 32.317 32.500 -0.074 0.000 0.715 53 K HN 0.272 nan 8.250 nan 0.000 0.439 54 I N 1.946 122.392 120.570 -0.207 0.000 2.179 54 I HA -0.305 3.866 4.170 0.001 0.000 0.242 54 I C 2.388 178.328 176.117 -0.296 0.000 1.088 54 I CA 1.420 62.589 61.300 -0.219 0.000 1.357 54 I CB -0.398 37.477 38.000 -0.207 0.000 1.051 54 I HN 0.309 nan 8.210 nan 0.000 0.409 55 I N -1.267 118.997 120.570 -0.510 0.000 2.315 55 I HA -0.272 3.899 4.170 0.001 0.000 0.248 55 I C 2.519 178.482 176.117 -0.257 0.000 1.117 55 I CA 1.472 62.474 61.300 -0.497 0.000 1.404 55 I CB -0.653 36.817 38.000 -0.883 0.000 1.071 55 I HN 0.267 nan 8.210 nan 0.000 0.419 56 Q N 1.200 120.869 119.800 -0.218 0.000 2.079 56 Q HA -0.206 4.135 4.340 0.001 0.000 0.200 56 Q C 2.180 178.146 176.000 -0.058 0.000 0.974 56 Q CA 1.760 57.497 55.803 -0.111 0.000 0.840 56 Q CB 0.011 28.693 28.738 -0.094 0.000 0.898 56 Q HN 0.637 nan 8.270 nan 0.000 0.430 57 E N -0.135 120.027 120.200 -0.064 0.000 2.072 57 E HA -0.173 4.178 4.350 0.001 0.000 0.191 57 E C 2.103 178.722 176.600 0.032 0.000 0.985 57 E CA 0.762 57.151 56.400 -0.019 0.000 0.801 57 E CB 0.053 29.735 29.700 -0.030 0.000 0.750 57 E HN 0.267 nan 8.360 nan 0.000 0.452 58 R N 0.145 120.662 120.500 0.029 0.000 2.096 58 R HA -0.132 4.208 4.340 0.001 0.000 0.235 58 R C 2.576 179.019 176.300 0.237 0.000 1.127 58 R CA 1.142 57.348 56.100 0.178 0.000 0.968 58 R CB -0.608 29.744 30.300 0.087 0.000 0.861 58 R HN 0.269 nan 8.270 nan 0.000 0.440 59 c N 1.220 119.884 118.600 0.107 0.000 2.432 59 c HA -0.120 4.451 4.570 0.001 0.000 0.277 59 c C 2.007 176.162 174.090 0.109 0.000 1.249 59 c CA 1.027 57.416 56.329 0.101 0.000 1.725 59 c CB -0.755 41.776 42.510 0.035 0.000 2.028 59 c HN 0.455 nan 8.230 nan 0.000 0.477 60 D N 0.100 120.541 120.400 0.068 0.000 2.104 60 D HA -0.113 4.527 4.640 0.001 0.000 0.194 60 D C 2.320 178.652 176.300 0.055 0.000 0.994 60 D CA 2.073 56.103 54.000 0.050 0.000 0.830 60 D CB -0.774 40.042 40.800 0.027 0.000 0.959 60 D HN 0.507 nan 8.370 nan 0.000 0.452 61 T N -0.035 114.566 114.554 0.078 0.000 2.708 61 T HA -0.196 4.155 4.350 0.001 0.000 0.266 61 T C 1.813 176.510 174.700 -0.005 0.000 1.037 61 T CA 1.051 63.187 62.100 0.059 0.000 1.146 61 T CB -0.529 68.417 68.868 0.130 0.000 0.865 61 T HN 0.218 nan 8.240 nan 0.000 0.435 62 Y N 2.199 122.419 120.300 -0.133 0.000 2.089 62 Y HA -0.234 4.317 4.550 0.001 0.000 0.282 62 Y C 2.892 178.704 175.900 -0.146 0.000 1.139 62 Y CA 2.096 60.029 58.100 -0.279 0.000 1.123 62 Y CB -0.646 37.621 38.460 -0.323 0.000 0.980 62 Y HN 0.324 nan 8.280 nan 0.000 0.493 63 T N -2.005 112.629 114.554 0.133 0.000 2.915 63 T HA -0.165 4.186 4.350 0.001 0.000 0.269 63 T C 1.444 176.128 174.700 -0.027 0.000 1.071 63 T CA 1.741 63.887 62.100 0.077 0.000 1.132 63 T CB -0.256 68.674 68.868 0.105 0.000 0.878 63 T HN 0.540 nan 8.240 nan 0.000 0.479 64 Q N 0.506 120.283 119.800 -0.039 0.000 2.394 64 Q HA 0.125 4.465 4.340 0.001 0.000 0.218 64 Q C 2.364 178.319 176.000 -0.075 0.000 0.907 64 Q CA 1.267 57.043 55.803 -0.044 0.000 0.919 64 Q CB 0.470 29.196 28.738 -0.020 0.000 1.051 64 Q HN 0.758 nan 8.270 nan 0.000 0.538 65 T N -3.001 111.491 114.554 -0.104 0.000 2.959 65 T HA 0.289 4.640 4.350 0.001 0.000 0.254 65 T C 1.600 176.194 174.700 -0.175 0.000 1.003 65 T CA -0.147 61.888 62.100 -0.110 0.000 0.950 65 T CB 0.200 69.028 68.868 -0.068 0.000 1.090 65 T HN 0.033 nan 8.240 nan 0.000 0.503 66 I N -0.142 120.246 120.570 -0.302 0.000 2.899 66 I HA 0.393 4.563 4.170 0.001 0.000 0.257 66 I C 1.515 177.351 176.117 -0.469 0.000 1.115 66 I CA -0.008 61.037 61.300 -0.425 0.000 1.451 66 I CB 0.396 38.011 38.000 -0.641 0.000 1.251 66 I HN 0.020 nan 8.210 nan 0.000 0.456 67 R N 0.934 121.071 120.500 -0.605 0.000 2.718 67 R HA 0.263 4.604 4.340 0.001 0.000 0.266 67 R C -2.337 173.825 176.300 -0.231 0.000 1.776 67 R CA -1.340 54.521 56.100 -0.397 0.000 1.567 67 R CB 0.976 31.012 30.300 -0.441 0.000 1.336 67 R HN -0.079 nan 8.270 nan 0.000 0.619 68 P HA -0.067 nan 4.420 nan 0.000 0.201 68 P C 1.194 178.467 177.300 -0.045 0.000 0.995 68 P CA 1.444 64.493 63.100 -0.085 0.000 0.866 68 P CB -0.079 31.576 31.700 -0.074 0.000 0.652 69 G N -0.813 107.965 108.800 -0.037 0.000 2.773 69 G HA2 -0.302 3.659 3.960 0.001 0.000 0.224 69 G HA3 -0.302 3.659 3.960 0.001 0.000 0.224 69 G C 0.949 175.845 174.900 -0.006 0.000 1.078 69 G CA 1.237 46.325 45.100 -0.020 0.000 0.724 69 G HN 0.778 nan 8.290 nan 0.000 0.620 70 S N -0.097 115.602 115.700 -0.002 0.000 2.527 70 S HA 0.433 4.904 4.470 0.001 0.000 0.274 70 S C 1.134 175.744 174.600 0.017 0.000 1.349 70 S CA 0.935 59.144 58.200 0.016 0.000 1.011 70 S CB -0.207 63.013 63.200 0.034 0.000 0.837 70 S HN 1.330 nan 8.310 nan 0.000 0.524 71 R N 0.988 121.500 120.500 0.021 0.000 2.873 71 R HA 0.469 4.809 4.340 0.001 0.000 0.267 71 R C 0.982 177.297 176.300 0.026 0.000 1.009 71 R CA 0.458 56.571 56.100 0.020 0.000 1.152 71 R CB -1.198 29.115 30.300 0.021 0.000 1.047 71 R HN 1.862 nan 8.270 nan 0.000 0.470 72 S N 0.099 115.812 115.700 0.022 0.000 2.617 72 S HA 0.676 5.146 4.470 0.001 0.000 0.269 72 S C -0.181 174.437 174.600 0.030 0.000 1.292 72 S CA -0.657 57.557 58.200 0.024 0.000 1.010 72 S CB 0.915 64.125 63.200 0.017 0.000 0.944 72 S HN 0.710 nan 8.310 nan 0.000 0.536 73 R N 1.096 121.617 120.500 0.035 0.000 2.564 73 R HA 0.365 4.706 4.340 0.001 0.000 0.284 73 R C -1.143 175.176 176.300 0.032 0.000 1.031 73 R CA -0.547 55.575 56.100 0.036 0.000 0.904 73 R CB 1.531 31.860 30.300 0.048 0.000 1.199 73 R HN 0.801 nan 8.270 nan 0.000 0.443 74 N N 1.998 120.714 118.700 0.026 0.000 2.411 74 N HA 0.032 4.772 4.740 0.001 0.000 0.259 74 N C 0.388 175.912 175.510 0.022 0.000 1.103 74 N CA -0.187 52.875 53.050 0.021 0.000 0.954 74 N CB 0.992 39.488 38.487 0.015 0.000 1.085 74 N HN 0.573 nan 8.380 nan 0.000 0.485 75 c N 2.581 121.193 118.600 0.020 0.000 2.450 75 c HA -0.058 4.513 4.570 0.001 0.000 0.279 75 c C 2.653 176.746 174.090 0.005 0.000 1.335 75 c CA 0.417 56.756 56.329 0.017 0.000 1.749 75 c CB -0.835 41.685 42.510 0.017 0.000 1.963 75 c HN 0.794 nan 8.230 nan 0.000 0.501 76 Q N 1.050 120.850 119.800 0.001 0.000 2.084 76 Q HA -0.174 4.167 4.340 0.001 0.000 0.202 76 Q C 2.286 178.287 176.000 0.003 0.000 0.978 76 Q CA 1.906 57.706 55.803 -0.005 0.000 0.844 76 Q CB -0.210 28.525 28.738 -0.006 0.000 0.898 76 Q HN 0.657 nan 8.270 nan 0.000 0.426 77 A N 0.604 123.430 122.820 0.011 0.000 1.930 77 A HA -0.138 4.183 4.320 0.001 0.000 0.217 77 A C 1.969 179.572 177.584 0.031 0.000 1.175 77 A CA 1.157 53.205 52.037 0.017 0.000 0.627 77 A CB -0.573 18.438 19.000 0.017 0.000 0.815 77 A HN 0.471 nan 8.150 nan 0.000 0.443 78 I N -0.865 119.727 120.570 0.036 0.000 2.179 78 I HA -0.258 3.912 4.170 0.001 0.000 0.242 78 I C 2.725 178.898 176.117 0.093 0.000 1.088 78 I CA 1.636 62.973 61.300 0.061 0.000 1.357 78 I CB -0.334 37.699 38.000 0.055 0.000 1.051 78 I HN 0.381 nan 8.210 nan 0.000 0.409 79 R N 1.103 121.628 120.500 0.043 0.000 2.083 79 R HA -0.232 4.109 4.340 0.001 0.000 0.237 79 R C 2.228 178.557 176.300 0.048 0.000 1.137 79 R CA 1.878 57.986 56.100 0.013 0.000 0.951 79 R CB -0.257 30.006 30.300 -0.062 0.000 0.851 79 R HN 0.449 nan 8.270 nan 0.000 0.434 80 Q N -0.287 119.530 119.800 0.028 0.000 2.084 80 Q HA -0.122 4.219 4.340 0.001 0.000 0.202 80 Q C 2.157 178.183 176.000 0.043 0.000 0.978 80 Q CA 1.807 57.620 55.803 0.017 0.000 0.844 80 Q CB -0.147 28.593 28.738 0.002 0.000 0.898 80 Q HN 0.464 nan 8.270 nan 0.000 0.426 81 A N 0.354 123.216 122.820 0.070 0.000 1.902 81 A HA -0.178 4.142 4.320 0.001 0.000 0.217 81 A C 1.854 179.527 177.584 0.149 0.000 1.181 81 A CA 0.957 53.041 52.037 0.078 0.000 0.623 81 A CB -0.812 18.227 19.000 0.066 0.000 0.818 81 A HN 0.446 nan 8.150 nan 0.000 0.443 82 F N -0.100 119.881 119.950 0.050 0.000 2.102 82 F HA -0.240 4.288 4.527 0.001 0.000 0.298 82 F C 2.493 178.380 175.800 0.144 0.000 1.105 82 F CA 1.503 59.573 58.000 0.116 0.000 1.239 82 F CB -0.038 38.968 39.000 0.011 0.000 0.991 82 F HN 0.115 nan 8.300 nan 0.000 0.474 83 M N -0.423 119.343 119.600 0.275 0.000 2.080 83 M HA -0.210 4.271 4.480 0.001 0.000 0.260 83 M C 2.306 178.421 176.300 -0.308 0.000 1.068 83 M CA 1.419 56.653 55.300 -0.111 0.000 1.109 83 M CB -1.665 30.865 32.600 -0.117 0.000 1.342 83 M HN 0.015 nan 8.290 nan 0.000 0.405 84 S N 0.839 116.467 115.700 -0.120 0.000 2.419 84 S HA -0.042 4.428 4.470 0.001 0.000 0.235 84 S C 2.044 176.561 174.600 -0.140 0.000 1.019 84 S CA 1.083 59.202 58.200 -0.134 0.000 0.982 84 S CB -0.359 62.806 63.200 -0.059 0.000 0.789 84 S HN 0.570 nan 8.310 nan 0.000 0.490 85 A N 0.896 123.682 122.820 -0.057 0.000 1.972 85 A HA -0.019 4.301 4.320 0.001 0.000 0.219 85 A C 1.782 179.242 177.584 -0.206 0.000 1.169 85 A CA 1.579 53.562 52.037 -0.090 0.000 0.635 85 A CB -0.500 18.446 19.000 -0.089 0.000 0.810 85 A HN 0.735 nan 8.150 nan 0.000 0.446 86 F N -3.025 116.698 119.950 -0.377 0.000 2.778 86 F HA 0.488 5.016 4.527 0.001 0.000 0.314 86 F C 0.179 175.711 175.800 -0.447 0.000 1.073 86 F CA -1.133 56.371 58.000 -0.827 0.000 1.218 86 F CB 0.189 38.736 39.000 -0.756 0.000 1.037 86 F HN -0.176 nan 8.300 nan 0.000 0.594 87 I N 2.329 122.377 120.570 -0.870 0.000 2.648 87 I HA 0.003 4.174 4.170 0.001 0.000 0.284 87 I C 1.588 177.550 176.117 -0.258 0.000 1.153 87 I CA 0.810 61.757 61.300 -0.588 0.000 1.426 87 I CB 0.603 38.256 38.000 -0.579 0.000 1.381 87 I HN 0.597 nan 8.210 nan 0.000 0.571 88 S N 3.056 118.679 115.700 -0.129 0.000 3.084 88 S HA -0.172 4.299 4.470 0.001 0.000 0.277 88 S C 0.394 174.988 174.600 -0.009 0.000 1.295 88 S CA 1.213 59.383 58.200 -0.049 0.000 1.170 88 S CB -0.716 62.449 63.200 -0.059 0.000 1.412 88 S HN 0.745 nan 8.310 nan 0.000 0.669 89 K N 1.060 121.453 120.400 -0.010 0.000 2.185 89 K HA 0.366 4.687 4.320 0.001 0.000 0.240 89 K C -0.385 176.311 176.600 0.160 0.000 0.983 89 K CA -0.834 55.492 56.287 0.065 0.000 0.873 89 K CB 0.404 32.936 32.500 0.054 0.000 1.118 89 K HN 0.144 nan 8.250 nan 0.000 0.441 90 D N 2.294 122.811 120.400 0.195 0.000 2.389 90 D HA 0.005 4.646 4.640 0.001 0.000 0.263 90 D C -1.812 174.670 176.300 0.302 0.000 1.255 90 D CA -1.527 52.609 54.000 0.227 0.000 0.914 90 D CB 0.915 41.821 40.800 0.177 0.000 1.116 90 D HN 0.108 nan 8.370 nan 0.000 0.502 91 P HA 0.023 nan 4.420 nan 0.000 0.234 91 P C 0.512 177.813 177.300 0.000 0.000 1.167 91 P CA 0.374 63.601 63.100 0.211 0.000 0.763 91 P CB 0.298 32.024 31.700 0.043 0.000 0.835 92 c N -0.890 117.727 118.600 0.028 0.000 2.994 92 c HA 0.285 4.856 4.570 0.001 0.000 0.284 92 c C 1.264 175.334 174.090 -0.034 0.000 1.404 92 c CA -0.119 56.175 56.329 -0.058 0.000 1.775 92 c CB -0.858 41.654 42.510 0.005 0.000 2.458 92 c HN 0.176 nan 8.230 nan 0.000 0.593 93 K N 1.025 121.418 120.400 -0.013 0.000 2.646 93 K HA 0.297 4.618 4.320 0.001 0.000 0.206 93 K C 0.454 176.976 176.600 -0.131 0.000 1.069 93 K CA -0.074 56.196 56.287 -0.028 0.000 1.067 93 K CB 0.860 33.391 32.500 0.051 0.000 0.807 93 K HN 0.354 nan 8.250 nan 0.000 0.482 94 A N 1.846 124.401 122.820 -0.441 0.000 2.540 94 A HA 0.143 4.464 4.320 0.001 0.000 0.239 94 A C 0.580 177.985 177.584 -0.299 0.000 1.061 94 A CA 0.432 51.975 52.037 -0.824 0.000 0.758 94 A CB -0.043 18.129 19.000 -1.381 0.000 0.991 94 A HN 0.308 nan 8.150 nan 0.000 0.502 95 T N -0.296 114.165 114.554 -0.156 0.000 2.916 95 T HA 0.486 4.836 4.350 0.001 0.000 0.292 95 T C 0.721 175.450 174.700 0.048 0.000 1.055 95 T CA -0.838 61.242 62.100 -0.033 0.000 1.009 95 T CB 1.466 70.332 68.868 -0.002 0.000 1.118 95 T HN 0.584 nan 8.240 nan 0.000 0.497 96 K N 0.465 120.911 120.400 0.078 0.000 2.103 96 K HA -0.156 4.165 4.320 0.001 0.000 0.207 96 K C 1.781 178.460 176.600 0.132 0.000 1.048 96 K CA 1.710 58.077 56.287 0.133 0.000 0.930 96 K CB -0.183 32.364 32.500 0.079 0.000 0.716 96 K HN 0.615 nan 8.250 nan 0.000 0.444 97 E N 1.185 121.431 120.200 0.076 0.000 2.209 97 E HA -0.163 4.188 4.350 0.001 0.000 0.196 97 E C 1.400 178.033 176.600 0.055 0.000 0.993 97 E CA 1.087 57.524 56.400 0.061 0.000 0.819 97 E CB -0.182 29.542 29.700 0.040 0.000 0.745 97 E HN 0.232 nan 8.360 nan 0.000 0.477 98 D N -0.728 119.693 120.400 0.034 0.000 2.263 98 D HA -0.153 4.488 4.640 0.001 0.000 0.208 98 D C 0.856 177.093 176.300 -0.105 0.000 0.971 98 D CA 1.001 54.980 54.000 -0.036 0.000 0.867 98 D CB -0.056 40.737 40.800 -0.011 0.000 0.929 98 D HN 0.408 nan 8.370 nan 0.000 0.492 99 Y N -0.148 120.218 120.300 0.110 0.000 2.458 99 Y HA 0.113 4.664 4.550 0.002 0.000 0.256 99 Y C 1.671 177.578 175.900 0.012 0.000 1.159 99 Y CA -0.444 57.694 58.100 0.064 0.000 1.261 99 Y CB 0.190 38.682 38.460 0.054 0.000 1.119 99 Y HN -0.154 nan 8.280 nan 0.000 0.524 100 N N -0.258 118.523 118.700 0.134 0.000 2.061 100 N HA -0.228 4.513 4.740 0.001 0.000 0.193 100 N C 2.081 177.628 175.510 0.062 0.000 1.030 100 N CA 1.784 54.882 53.050 0.080 0.000 0.856 100 N CB -0.351 38.169 38.487 0.055 0.000 1.023 100 N HN 0.091 nan 8.380 nan 0.000 0.424 101 S N 0.058 115.793 115.700 0.058 0.000 2.351 101 S HA -0.115 4.356 4.470 0.001 0.000 0.220 101 S C 1.845 176.472 174.600 0.046 0.000 1.035 101 S CA 1.061 59.287 58.200 0.043 0.000 1.031 101 S CB -0.592 62.629 63.200 0.035 0.000 0.928 101 S HN 0.310 nan 8.310 nan 0.000 0.433 102 L N 1.754 123.015 121.223 0.063 0.000 2.021 102 L HA -0.086 4.254 4.340 0.001 0.000 0.215 102 L C 2.089 178.970 176.870 0.018 0.000 1.074 102 L CA 1.951 56.818 54.840 0.044 0.000 0.760 102 L CB -0.714 41.374 42.059 0.048 0.000 0.889 102 L HN 0.477 nan 8.230 nan 0.000 0.433 103 I N -0.325 120.255 120.570 0.017 0.000 2.394 103 I HA -0.263 3.908 4.170 0.001 0.000 0.251 103 I C 1.933 178.054 176.117 0.006 0.000 1.136 103 I CA 0.941 62.232 61.300 -0.015 0.000 1.425 103 I CB -0.545 37.436 38.000 -0.032 0.000 1.079 103 I HN 0.388 nan 8.210 nan 0.000 0.425 104 N N 0.895 119.606 118.700 0.019 0.000 2.223 104 N HA -0.103 4.637 4.740 0.001 0.000 0.185 104 N C 1.858 177.381 175.510 0.022 0.000 1.016 104 N CA 1.135 54.198 53.050 0.022 0.000 0.863 104 N CB -0.263 38.239 38.487 0.024 0.000 0.983 104 N HN 0.354 nan 8.380 nan 0.000 0.429 105 L N -0.412 120.824 121.223 0.022 0.000 2.291 105 L HA 0.048 4.388 4.340 0.001 0.000 0.214 105 L C 0.455 177.340 176.870 0.024 0.000 1.120 105 L CA 0.519 55.373 54.840 0.024 0.000 0.799 105 L CB -0.045 42.030 42.059 0.027 0.000 0.925 105 L HN 0.038 nan 8.230 nan 0.000 0.446 106 A N -0.469 122.361 122.820 0.018 0.000 3.277 106 A HA 0.465 4.786 4.320 0.001 0.000 0.281 106 A C -2.686 174.905 177.584 0.011 0.000 1.179 106 A CA -0.799 51.248 52.037 0.016 0.000 0.879 106 A CB -0.020 18.983 19.000 0.004 0.000 1.374 106 A HN -0.157 nan 8.150 nan 0.000 0.590 107 P HA 0.271 nan 4.420 nan 0.000 0.271 107 P C -2.478 174.855 177.300 0.055 0.000 1.218 107 P CA -1.160 61.958 63.100 0.030 0.000 0.780 107 P CB 0.328 32.051 31.700 0.039 0.000 0.901 108 P HA 0.061 nan 4.420 nan 0.000 0.226 108 P C -0.754 176.695 177.300 0.248 0.000 1.783 108 P CA 0.194 63.383 63.100 0.147 0.000 0.980 108 P CB -0.497 31.285 31.700 0.138 0.000 1.967 109 T N 0.921 115.574 114.554 0.165 0.000 2.767 109 T HA 0.354 4.705 4.350 0.001 0.000 0.284 109 T C 0.182 174.962 174.700 0.134 0.000 0.973 109 T CA -0.358 61.821 62.100 0.130 0.000 0.996 109 T CB 1.457 70.374 68.868 0.081 0.000 0.927 109 T HN -0.091 nan 8.240 nan 0.000 0.456 110 V N 5.929 125.907 119.914 0.105 0.000 2.513 110 V HA 0.403 4.524 4.120 0.001 0.000 0.299 110 V C -2.095 174.028 176.094 0.048 0.000 1.035 110 V CA -2.238 60.122 62.300 0.099 0.000 0.889 110 V CB 1.569 33.458 31.823 0.111 0.000 0.988 110 V HN 0.705 nan 8.190 nan 0.000 0.440 111 P HA 0.075 nan 4.420 nan 0.000 0.267 111 P C -0.345 176.969 177.300 0.023 0.000 1.200 111 P CA -0.318 62.801 63.100 0.031 0.000 0.772 111 P CB 0.144 31.861 31.700 0.028 0.000 0.855 112 c N 2.110 120.723 118.600 0.021 0.000 2.611 112 c HA 0.334 4.905 4.570 0.001 0.000 0.416 112 c C 1.933 176.040 174.090 0.029 0.000 1.366 112 c CA 1.463 57.805 56.329 0.023 0.000 1.761 112 c CB -1.133 41.391 42.510 0.023 0.000 2.619 112 c HN 1.019 nan 8.230 nan 0.000 0.606 113 G N 2.681 111.504 108.800 0.038 0.000 2.184 113 G HA2 -0.280 3.680 3.960 0.001 0.000 0.264 113 G HA3 -0.280 3.680 3.960 0.001 0.000 0.264 113 G C 0.417 175.347 174.900 0.050 0.000 0.975 113 G CA 0.770 45.901 45.100 0.051 0.000 0.642 113 G HN 0.849 nan 8.290 nan 0.000 0.536 114 Q N -0.823 118.999 119.800 0.038 0.000 2.189 114 Q HA 0.252 4.593 4.340 0.001 0.000 0.223 114 Q C 0.932 176.956 176.000 0.041 0.000 0.828 114 Q CA -0.070 55.752 55.803 0.033 0.000 0.967 114 Q CB 0.724 29.476 28.738 0.024 0.000 1.139 114 Q HN 0.665 nan 8.270 nan 0.000 0.497 115 Q N 0.957 120.772 119.800 0.025 0.000 2.261 115 Q HA 0.395 4.735 4.340 0.001 0.000 0.252 115 Q C -1.259 174.749 176.000 0.014 0.000 0.915 115 Q CA -0.284 55.496 55.803 -0.038 0.000 0.915 115 Q CB 1.216 29.812 28.738 -0.237 0.000 1.204 115 Q HN -0.044 nan 8.270 nan 0.000 0.421 116 V N 4.891 124.825 119.914 0.033 0.000 2.531 116 V HA 0.432 4.552 4.120 0.001 0.000 0.301 116 V C -0.914 175.241 176.094 0.102 0.000 1.034 116 V CA -0.630 61.767 62.300 0.163 0.000 0.865 116 V CB 1.147 33.123 31.823 0.256 0.000 0.995 116 V HN 0.669 nan 8.190 nan 0.000 0.424 117 F N 4.165 124.302 119.950 0.311 0.000 2.408 117 F HA 0.772 5.300 4.527 0.001 0.000 0.325 117 F C 0.151 176.043 175.800 0.153 0.000 1.082 117 F CA -0.298 57.844 58.000 0.236 0.000 1.032 117 F CB 1.444 40.553 39.000 0.182 0.000 1.259 117 F HN 0.617 nan 8.300 nan 0.000 0.503 118 W N -0.247 121.131 121.300 0.131 0.000 3.137 118 W HA 0.664 5.325 4.660 0.001 0.000 0.324 118 W C -1.956 174.535 176.519 -0.048 0.000 1.253 118 W CA -1.244 56.086 57.345 -0.026 0.000 1.183 118 W CB 1.428 30.881 29.460 -0.011 0.000 1.424 118 W HN 0.454 nan 8.180 nan 0.000 0.566 119 S N 2.453 118.268 115.700 0.192 0.000 2.652 119 S HA 0.310 4.781 4.470 0.001 0.000 0.273 119 S C 0.034 174.767 174.600 0.222 0.000 1.172 119 S CA -0.483 57.780 58.200 0.104 0.000 1.009 119 S CB 0.455 63.639 63.200 -0.026 0.000 1.094 119 S HN 0.505 nan 8.310 nan 0.000 0.471 120 K N 1.054 121.638 120.400 0.306 0.000 3.341 120 K HA -0.132 4.189 4.320 0.001 0.000 0.305 120 K C 0.360 177.050 176.600 0.150 0.000 1.270 120 K CA 1.614 58.013 56.287 0.185 0.000 0.897 120 K CB -3.061 29.492 32.500 0.088 0.000 1.264 120 K HN 0.948 nan 8.250 nan 0.000 0.468 121 T N -3.466 111.218 114.554 0.218 0.000 3.516 121 T HA 0.291 4.641 4.350 0.001 0.000 0.300 121 T C 1.024 175.660 174.700 -0.107 0.000 0.995 121 T CA -0.247 61.890 62.100 0.061 0.000 0.982 121 T CB 1.074 69.979 68.868 0.062 0.000 1.199 121 T HN 0.189 nan 8.240 nan 0.000 0.481 122 K N 1.873 122.098 120.400 -0.291 0.000 2.001 122 K HA -0.238 4.083 4.320 0.001 0.000 0.214 122 K C 2.078 178.485 176.600 -0.322 0.000 1.050 122 K CA 2.110 57.929 56.287 -0.780 0.000 0.934 122 K CB -0.125 31.931 32.500 -0.740 0.000 0.718 122 K HN 0.607 nan 8.250 nan 0.000 0.443 123 E N 0.345 120.430 120.200 -0.191 0.000 2.038 123 E HA -0.238 4.113 4.350 0.001 0.000 0.195 123 E C 2.149 178.732 176.600 -0.028 0.000 1.000 123 E CA 1.359 57.701 56.400 -0.097 0.000 0.803 123 E CB -0.174 29.481 29.700 -0.074 0.000 0.750 123 E HN 0.261 nan 8.360 nan 0.000 0.448 124 L N 1.026 122.234 121.223 -0.025 0.000 2.012 124 L HA -0.129 4.212 4.340 0.001 0.000 0.210 124 L C 2.322 179.242 176.870 0.083 0.000 1.073 124 L CA 2.398 57.258 54.840 0.035 0.000 0.748 124 L CB -0.829 41.239 42.059 0.016 0.000 0.891 124 L HN 0.233 nan 8.230 nan 0.000 0.431 125 A N -1.532 121.285 122.820 -0.005 0.000 1.930 125 A HA -0.234 4.087 4.320 0.001 0.000 0.217 125 A C 2.073 179.617 177.584 -0.067 0.000 1.175 125 A CA 1.815 53.853 52.037 0.001 0.000 0.627 125 A CB -0.989 17.933 19.000 -0.131 0.000 0.815 125 A HN 0.686 nan 8.150 nan 0.000 0.443 126 H N -0.506 118.519 119.070 -0.076 0.000 2.395 126 H HA -0.007 4.550 4.556 0.002 0.000 0.299 126 H C 2.076 177.406 175.328 0.004 0.000 1.070 126 H CA 1.261 57.280 56.048 -0.049 0.000 1.356 126 H CB 0.121 29.805 29.762 -0.130 0.000 1.401 126 H HN 0.388 nan 8.280 nan 0.000 0.524 127 E N 0.247 120.515 120.200 0.113 0.000 2.058 127 E HA -0.215 4.136 4.350 0.001 0.000 0.194 127 E C 2.009 178.652 176.600 0.071 0.000 0.997 127 E CA 1.105 57.550 56.400 0.075 0.000 0.801 127 E CB -0.528 29.212 29.700 0.067 0.000 0.746 127 E HN 0.560 nan 8.360 nan 0.000 0.450 128 Y N 1.219 121.510 120.300 -0.015 0.000 2.145 128 Y HA -0.202 4.348 4.550 0.001 0.000 0.286 128 Y C 2.228 178.090 175.900 -0.063 0.000 1.145 128 Y CA 1.833 59.893 58.100 -0.067 0.000 1.148 128 Y CB -0.558 37.922 38.460 0.035 0.000 0.981 128 Y HN -0.004 nan 8.280 nan 0.000 0.507 129 A N 0.604 123.337 122.820 -0.145 0.000 1.933 129 A HA -0.193 4.128 4.320 0.001 0.000 0.218 129 A C 2.348 179.830 177.584 -0.170 0.000 1.175 129 A CA 1.845 53.740 52.037 -0.238 0.000 0.628 129 A CB -0.814 18.148 19.000 -0.062 0.000 0.814 129 A HN 0.553 nan 8.150 nan 0.000 0.444 130 K N -0.479 119.876 120.400 -0.074 0.000 2.026 130 K HA -0.240 4.080 4.320 0.001 0.000 0.208 130 K C 2.295 178.839 176.600 -0.094 0.000 1.048 130 K CA 1.807 58.065 56.287 -0.048 0.000 0.929 130 K CB -0.176 32.324 32.500 -0.001 0.000 0.713 130 K HN 0.301 nan 8.250 nan 0.000 0.439 131 R N 0.872 121.298 120.500 -0.123 0.000 2.096 131 R HA -0.021 4.319 4.340 0.001 0.000 0.235 131 R C 1.728 177.919 176.300 -0.182 0.000 1.127 131 R CA 1.451 57.469 56.100 -0.137 0.000 0.968 131 R CB -0.068 30.154 30.300 -0.131 0.000 0.861 131 R HN 0.131 nan 8.270 nan 0.000 0.440 132 R N 0.784 121.112 120.500 -0.287 0.000 2.310 132 R HA 0.168 4.509 4.340 0.001 0.000 0.202 132 R C -0.091 176.094 176.300 -0.193 0.000 0.933 132 R CA 0.034 55.964 56.100 -0.283 0.000 1.054 132 R CB 0.067 30.083 30.300 -0.473 0.000 0.985 132 R HN 0.149 nan 8.270 nan 0.000 0.489 133 R N 0.361 120.768 120.500 -0.155 0.000 3.336 133 R HA -0.153 4.188 4.340 0.001 0.000 0.260 133 R C -0.283 175.963 176.300 -0.089 0.000 1.032 133 R CA 0.532 56.573 56.100 -0.099 0.000 0.693 133 R CB -2.843 27.411 30.300 -0.077 0.000 1.134 133 R HN 0.233 nan 8.270 nan 0.000 0.433 134 L N -0.229 120.925 121.223 -0.116 0.000 2.347 134 L HA 0.625 4.966 4.340 0.001 0.000 0.268 134 L C 0.865 177.734 176.870 -0.001 0.000 1.019 134 L CA -1.084 53.713 54.840 -0.070 0.000 0.806 134 L CB 0.860 42.839 42.059 -0.133 0.000 1.339 134 L HN 0.001 nan 8.230 nan 0.000 0.463 135 M N 0.597 120.233 119.600 0.059 0.000 2.204 135 M HA 0.324 4.805 4.480 0.001 0.000 0.293 135 M C -0.336 176.083 176.300 0.198 0.000 0.994 135 M CA -0.582 54.798 55.300 0.133 0.000 0.925 135 M CB 2.010 34.710 32.600 0.167 0.000 1.577 135 M HN 0.666 nan 8.290 nan 0.000 0.439 136 T N -0.903 113.762 114.554 0.186 0.000 2.824 136 T HA 0.315 4.666 4.350 0.001 0.000 0.277 136 T C 0.868 175.617 174.700 0.082 0.000 0.975 136 T CA -0.853 61.375 62.100 0.213 0.000 0.966 136 T CB 1.050 69.996 68.868 0.130 0.000 1.054 136 T HN 0.617 nan 8.240 nan 0.000 0.533 137 L N 0.553 121.612 121.223 -0.272 0.000 2.079 137 L HA -0.015 4.326 4.340 0.001 0.000 0.210 137 L C 2.266 179.143 176.870 0.013 0.000 1.081 137 L CA 1.892 56.343 54.840 -0.649 0.000 0.752 137 L CB -1.209 40.478 42.059 -0.620 0.000 0.896 137 L HN 0.771 nan 8.230 nan 0.000 0.433 138 E N -0.427 119.942 120.200 0.281 0.000 2.478 138 E HA -0.109 4.242 4.350 0.001 0.000 0.198 138 E C 1.234 178.051 176.600 0.362 0.000 1.046 138 E CA 0.789 57.409 56.400 0.367 0.000 0.870 138 E CB -0.176 29.741 29.700 0.361 0.000 0.818 138 E HN 0.549 nan 8.360 nan 0.000 0.527 139 D N -0.211 120.378 120.400 0.315 0.000 2.349 139 D HA -0.008 4.632 4.640 0.001 0.000 0.214 139 D C 0.532 177.038 176.300 0.343 0.000 1.063 139 D CA 0.347 54.555 54.000 0.346 0.000 0.847 139 D CB 0.153 41.114 40.800 0.267 0.000 0.933 139 D HN 0.204 nan 8.370 nan 0.000 0.513 140 T N -1.615 113.063 114.554 0.206 0.000 2.788 140 T HA 0.185 4.536 4.350 0.001 0.000 0.287 140 T C 1.591 176.174 174.700 -0.194 0.000 1.007 140 T CA -0.691 61.477 62.100 0.114 0.000 1.005 140 T CB 1.556 70.463 68.868 0.064 0.000 1.012 140 T HN -0.079 nan 8.240 nan 0.000 0.530 141 L N 0.468 121.390 121.223 -0.501 0.000 1.970 141 L HA -0.051 4.290 4.340 0.001 0.000 0.212 141 L C 2.610 179.287 176.870 -0.321 0.000 1.071 141 L CA 1.543 55.820 54.840 -0.938 0.000 0.751 141 L CB -0.533 41.216 42.059 -0.515 0.000 0.889 141 L HN 0.713 nan 8.230 nan 0.000 0.432 142 L N -0.772 120.389 121.223 -0.104 0.000 2.093 142 L HA -0.119 4.222 4.340 0.001 0.000 0.208 142 L C 2.577 179.548 176.870 0.168 0.000 1.085 142 L CA 1.082 55.958 54.840 0.061 0.000 0.755 142 L CB -1.150 40.935 42.059 0.044 0.000 0.904 142 L HN 0.448 nan 8.230 nan 0.000 0.435 143 G N -1.103 107.781 108.800 0.140 0.000 2.408 143 G HA2 -0.324 3.636 3.960 0.001 0.000 0.217 143 G HA3 -0.324 3.636 3.960 0.001 0.000 0.217 143 G C 1.482 176.599 174.900 0.361 0.000 1.150 143 G CA 0.475 45.769 45.100 0.323 0.000 0.776 143 G HN 0.325 nan 8.290 nan 0.000 0.542 144 Y N 0.610 120.965 120.300 0.091 0.000 2.200 144 Y HA -0.020 4.531 4.550 0.001 0.000 0.290 144 Y C 2.537 178.472 175.900 0.059 0.000 1.137 144 Y CA 0.930 59.081 58.100 0.085 0.000 1.163 144 Y CB -0.153 38.324 38.460 0.027 0.000 0.988 144 Y HN 0.078 nan 8.280 nan 0.000 0.518 145 L N 0.274 121.575 121.223 0.130 0.000 2.043 145 L HA -0.226 4.115 4.340 0.001 0.000 0.212 145 L C 2.525 179.340 176.870 -0.092 0.000 1.075 145 L CA 2.266 57.094 54.840 -0.020 0.000 0.752 145 L CB -1.388 40.669 42.059 -0.004 0.000 0.891 145 L HN 0.373 nan 8.230 nan 0.000 0.432 146 A N -2.075 120.782 122.820 0.062 0.000 2.147 146 A HA -0.004 4.317 4.320 0.001 0.000 0.211 146 A C 0.761 178.627 177.584 0.470 0.000 1.160 146 A CA -0.091 52.026 52.037 0.134 0.000 0.781 146 A CB -0.451 18.502 19.000 -0.078 0.000 0.842 146 A HN 0.329 nan 8.150 nan 0.000 0.475 147 D N -0.012 120.635 120.400 0.412 0.000 2.472 147 D HA 0.325 4.966 4.640 0.001 0.000 0.248 147 D C 1.379 177.791 176.300 0.186 0.000 1.174 147 D CA 1.722 55.936 54.000 0.357 0.000 0.883 147 D CB 0.066 40.953 40.800 0.144 0.000 1.149 147 D HN 0.566 nan 8.370 nan 0.000 0.488 148 G N 2.789 111.695 108.800 0.177 0.000 2.184 148 G HA2 -0.243 3.717 3.960 0.001 0.000 0.264 148 G HA3 -0.243 3.717 3.960 0.001 0.000 0.264 148 G C 0.394 175.386 174.900 0.154 0.000 0.975 148 G CA 0.559 45.717 45.100 0.096 0.000 0.642 148 G HN 0.511 nan 8.290 nan 0.000 0.536 149 L N -0.754 120.644 121.223 0.291 0.000 2.400 149 L HA 0.797 5.138 4.340 0.001 0.000 0.264 149 L C 0.920 177.992 176.870 0.337 0.000 1.061 149 L CA -1.102 53.939 54.840 0.335 0.000 0.799 149 L CB 1.177 43.507 42.059 0.452 0.000 1.240 149 L HN 0.063 nan 8.230 nan 0.000 0.461 150 R N 0.428 121.081 120.500 0.254 0.000 2.686 150 R HA 0.583 4.924 4.340 0.001 0.000 0.283 150 R C -1.855 174.452 176.300 0.012 0.000 0.978 150 R CA -0.653 55.462 56.100 0.026 0.000 0.897 150 R CB 2.391 32.673 30.300 -0.031 0.000 1.192 150 R HN 0.701 nan 8.270 nan 0.000 0.457 151 W N 0.749 121.791 121.300 -0.430 0.000 3.363 151 W HA 0.618 5.279 4.660 0.001 0.000 0.306 151 W C -1.365 174.831 176.519 -0.538 0.000 1.253 151 W CA -0.901 56.014 57.345 -0.716 0.000 1.195 151 W CB 0.484 29.033 29.460 -1.518 0.000 1.366 151 W HN 0.857 nan 8.180 nan 0.000 0.551 152 c N 1.223 119.725 118.600 -0.164 0.000 3.292 152 c HA 1.000 5.571 4.570 0.001 0.000 0.338 152 c C 0.276 174.524 174.090 0.263 0.000 1.323 152 c CA 0.004 56.325 56.329 -0.013 0.000 1.232 152 c CB 1.386 43.839 42.510 -0.096 0.000 1.517 152 c HN 1.544 nan 8.230 nan 0.000 0.470 153 G N -0.066 108.938 108.800 0.339 0.000 3.075 153 G HA2 0.780 4.741 3.960 0.001 0.000 0.253 153 G HA3 0.780 4.741 3.960 0.001 0.000 0.253 153 G C -1.427 173.599 174.900 0.211 0.000 1.353 153 G CA -0.365 44.886 45.100 0.252 0.000 1.051 153 G HN 1.190 nan 8.290 nan 0.000 0.553 154 E N -0.752 119.542 120.200 0.157 0.000 2.321 154 E HA 0.513 4.864 4.350 0.001 0.000 0.278 154 E C -2.861 173.811 176.600 0.119 0.000 0.902 154 E CA -1.609 54.898 56.400 0.178 0.000 0.758 154 E CB 2.589 32.397 29.700 0.180 0.000 1.213 154 E HN 0.153 nan 8.360 nan 0.000 0.426 155 P HA 0.166 nan 4.420 nan 0.000 0.265 155 P C 0.569 177.906 177.300 0.061 0.000 1.193 155 P CA 1.466 64.618 63.100 0.087 0.000 0.765 155 P CB 0.877 32.634 31.700 0.096 0.000 0.823 156 G N 1.684 110.507 108.800 0.039 0.000 2.417 156 G HA2 -0.279 3.682 3.960 0.001 0.000 0.233 156 G HA3 -0.279 3.682 3.960 0.001 0.000 0.233 156 G C 0.636 175.547 174.900 0.020 0.000 1.103 156 G CA 0.401 45.518 45.100 0.027 0.000 0.647 156 G HN 0.801 nan 8.290 nan 0.000 0.512 157 S N 0.532 116.249 115.700 0.029 0.000 2.592 157 S HA 0.569 5.039 4.470 0.001 0.000 0.271 157 S C 1.524 176.118 174.600 -0.010 0.000 1.326 157 S CA 0.905 59.117 58.200 0.020 0.000 1.024 157 S CB 1.320 64.546 63.200 0.044 0.000 0.921 157 S HN 1.539 nan 8.310 nan 0.000 0.527 158 S N 1.733 117.420 115.700 -0.021 0.000 2.557 158 S HA 0.305 4.776 4.470 0.001 0.000 0.223 158 S C -0.217 174.347 174.600 -0.060 0.000 0.969 158 S CA -0.560 57.608 58.200 -0.053 0.000 0.927 158 S CB -0.118 63.055 63.200 -0.045 0.000 0.806 158 S HN 0.686 nan 8.310 nan 0.000 0.489 159 D N 1.249 121.630 120.400 -0.032 0.000 2.299 159 D HA 0.441 5.082 4.640 0.001 0.000 0.243 159 D C -0.207 176.092 176.300 -0.001 0.000 0.982 159 D CA -0.586 53.398 54.000 -0.026 0.000 0.924 159 D CB 1.662 42.448 40.800 -0.024 0.000 1.238 159 D HN 0.155 nan 8.370 nan 0.000 0.484 160 L N 1.561 122.792 121.223 0.013 0.000 2.461 160 L HA 0.029 4.370 4.340 0.001 0.000 0.272 160 L C 0.969 177.849 176.870 0.016 0.000 1.197 160 L CA -0.104 54.773 54.840 0.062 0.000 0.836 160 L CB 0.100 42.190 42.059 0.052 0.000 1.105 160 L HN 0.189 nan 8.230 nan 0.000 0.477 161 N N 2.748 121.490 118.700 0.070 0.000 2.482 161 N HA 0.117 4.858 4.740 0.001 0.000 0.242 161 N C 0.345 175.852 175.510 -0.004 0.000 1.100 161 N CA -0.403 52.691 53.050 0.073 0.000 0.946 161 N CB 0.676 39.287 38.487 0.207 0.000 1.227 161 N HN 0.482 nan 8.380 nan 0.000 0.508 162 I N 0.336 120.785 120.570 -0.202 0.000 3.684 162 I HA 0.216 4.387 4.170 0.001 0.000 0.304 162 I C 1.185 177.193 176.117 -0.181 0.000 1.278 162 I CA -0.129 61.022 61.300 -0.249 0.000 1.272 162 I CB -0.207 37.560 38.000 -0.388 0.000 1.029 162 I HN 0.325 nan 8.210 nan 0.000 0.458 163 W N 1.820 123.166 121.300 0.076 0.000 2.630 163 W HA 0.376 5.037 4.660 0.001 0.000 0.275 163 W C 0.820 177.390 176.519 0.086 0.000 1.192 163 W CA 0.892 58.278 57.345 0.068 0.000 1.410 163 W CB -0.322 29.171 29.460 0.054 0.000 1.075 163 W HN 0.347 nan 8.180 nan 0.000 0.581 164 S N -1.478 114.426 115.700 0.341 0.000 2.565 164 S HA 0.615 5.085 4.470 0.001 0.000 0.269 164 S C -1.236 173.560 174.600 0.327 0.000 1.153 164 S CA -0.837 57.544 58.200 0.302 0.000 0.835 164 S CB 2.256 65.641 63.200 0.308 0.000 1.122 164 S HN -0.081 nan 8.310 nan 0.000 0.462 165 c N 1.551 120.272 118.600 0.203 0.000 2.994 165 c HA 0.726 5.297 4.570 0.001 0.000 0.305 165 c C -2.779 171.182 174.090 -0.214 0.000 1.251 165 c CA -1.255 55.028 56.329 -0.077 0.000 1.478 165 c CB 1.769 44.208 42.510 -0.118 0.000 1.922 165 c HN 0.792 nan 8.230 nan 0.000 0.472 166 P HA 0.041 nan 4.420 nan 0.000 0.260 166 P C -0.842 176.375 177.300 -0.139 0.000 1.172 166 P CA 0.692 63.463 63.100 -0.548 0.000 0.760 166 P CB 0.242 31.482 31.700 -0.767 0.000 0.773 167 D N 2.196 122.627 120.400 0.051 0.000 2.302 167 D HA 0.039 4.680 4.640 0.001 0.000 0.248 167 D C 0.751 177.117 176.300 0.110 0.000 1.094 167 D CA -0.321 53.743 54.000 0.107 0.000 0.897 167 D CB 0.447 41.342 40.800 0.159 0.000 1.200 167 D HN 0.346 nan 8.370 nan 0.000 0.429 168 W N 4.106 125.375 121.300 -0.052 0.000 2.363 168 W HA -0.107 4.554 4.660 0.001 0.000 0.296 168 W C 1.624 178.123 176.519 -0.034 0.000 1.212 168 W CA 0.995 58.308 57.345 -0.053 0.000 1.260 168 W CB 0.220 29.650 29.460 -0.050 0.000 1.131 168 W HN 0.413 nan 8.180 nan 0.000 0.530 169 R N -0.329 120.282 120.500 0.185 0.000 2.105 169 R HA 0.042 4.383 4.340 0.001 0.000 0.214 169 R C 2.161 178.408 176.300 -0.088 0.000 1.091 169 R CA 0.964 57.054 56.100 -0.017 0.000 1.007 169 R CB -0.281 30.150 30.300 0.219 0.000 0.912 169 R HN 0.139 nan 8.270 nan 0.000 0.450 170 K N 0.054 120.434 120.400 -0.033 0.000 2.167 170 K HA -0.032 4.289 4.320 0.001 0.000 0.203 170 K C 0.948 177.521 176.600 -0.046 0.000 1.052 170 K CA 1.019 57.237 56.287 -0.115 0.000 0.956 170 K CB 0.242 32.593 32.500 -0.248 0.000 0.735 170 K HN 0.149 nan 8.250 nan 0.000 0.451 171 D N -0.563 119.860 120.400 0.038 0.000 3.012 171 D HA 0.054 4.695 4.640 0.001 0.000 0.284 171 D C 0.716 177.017 176.300 0.002 0.000 1.259 171 D CA 0.682 54.764 54.000 0.138 0.000 1.036 171 D CB 0.446 41.417 40.800 0.286 0.000 1.167 171 D HN 0.256 nan 8.370 nan 0.000 0.429 172 c N -0.641 117.888 118.600 -0.119 0.000 3.181 172 c HA 0.524 5.095 4.570 0.001 0.000 0.362 172 c C 1.069 174.978 174.090 -0.301 0.000 1.125 172 c CA -0.988 55.226 56.329 -0.192 0.000 1.265 172 c CB 1.865 44.300 42.510 -0.126 0.000 1.632 172 c HN 0.174 nan 8.230 nan 0.000 0.525 173 R N 0.956 121.213 120.500 -0.406 0.000 2.193 173 R HA 0.031 4.372 4.340 0.001 0.000 0.213 173 R C 1.154 177.386 176.300 -0.113 0.000 1.055 173 R CA 1.526 57.382 56.100 -0.408 0.000 0.995 173 R CB -0.091 29.947 30.300 -0.438 0.000 0.893 173 R HN 0.933 nan 8.270 nan 0.000 0.459 174 T N 0.563 115.036 114.554 -0.135 0.000 3.591 174 T HA 0.117 4.468 4.350 0.001 0.000 0.232 174 T C -0.049 174.540 174.700 -0.186 0.000 1.116 174 T CA -0.755 61.272 62.100 -0.122 0.000 1.063 174 T CB -0.784 68.018 68.868 -0.111 0.000 1.227 174 T HN 0.190 nan 8.240 nan 0.000 0.685 175 N N 0.183 118.786 118.700 -0.161 0.000 2.459 175 N HA 0.182 4.923 4.740 0.001 0.000 0.288 175 N C -0.090 175.305 175.510 -0.193 0.000 1.186 175 N CA -0.937 51.989 53.050 -0.206 0.000 0.917 175 N CB 1.190 39.561 38.487 -0.193 0.000 1.219 175 N HN 0.050 nan 8.380 nan 0.000 0.525 176 Y N -0.140 120.125 120.300 -0.058 0.000 2.293 176 Y HA -0.098 4.453 4.550 0.001 0.000 0.291 176 Y C 2.252 178.145 175.900 -0.012 0.000 1.137 176 Y CA 0.751 58.906 58.100 0.092 0.000 1.202 176 Y CB -0.070 38.475 38.460 0.141 0.000 0.990 176 Y HN 0.523 nan 8.280 nan 0.000 0.537 177 L N -0.755 120.242 121.223 -0.377 0.000 2.005 177 L HA -0.185 4.156 4.340 0.001 0.000 0.207 177 L C 2.309 179.156 176.870 -0.039 0.000 1.072 177 L CA 1.942 56.390 54.840 -0.653 0.000 0.744 177 L CB -1.044 40.555 42.059 -0.767 0.000 0.895 177 L HN -0.014 nan 8.230 nan 0.000 0.433 178 S N -1.000 114.723 115.700 0.039 0.000 2.368 178 S HA -0.161 4.310 4.470 0.001 0.000 0.225 178 S C 1.964 176.680 174.600 0.193 0.000 1.030 178 S CA 1.455 59.757 58.200 0.170 0.000 0.999 178 S CB -0.489 62.858 63.200 0.245 0.000 0.844 178 S HN 0.347 nan 8.310 nan 0.000 0.459 179 V N 1.325 121.334 119.914 0.159 0.000 2.358 179 V HA -0.122 3.999 4.120 0.001 0.000 0.246 179 V C 1.832 178.015 176.094 0.148 0.000 1.047 179 V CA 1.626 64.026 62.300 0.166 0.000 1.035 179 V CB -0.755 31.151 31.823 0.139 0.000 0.658 179 V HN 0.510 nan 8.190 nan 0.000 0.452 180 F N 0.101 120.020 119.950 -0.052 0.000 2.065 180 F HA -0.271 4.257 4.527 0.002 0.000 0.298 180 F C 2.012 177.593 175.800 -0.365 0.000 1.112 180 F CA 2.068 59.721 58.000 -0.579 0.000 1.212 180 F CB -0.414 38.275 39.000 -0.519 0.000 0.975 180 F HN 0.175 nan 8.300 nan 0.000 0.476 181 W N 0.994 122.324 121.300 0.050 0.000 2.402 181 W HA -0.086 4.575 4.660 0.001 0.000 0.286 181 W C 2.423 178.860 176.519 -0.136 0.000 1.221 181 W CA 1.134 58.446 57.345 -0.055 0.000 1.257 181 W CB -0.291 29.221 29.460 0.086 0.000 1.120 181 W HN 0.069 nan 8.180 nan 0.000 0.551 182 E N -0.233 120.028 120.200 0.102 0.000 2.047 182 E HA -0.201 4.149 4.350 0.001 0.000 0.191 182 E C 2.207 178.797 176.600 -0.016 0.000 0.987 182 E CA 1.469 57.901 56.400 0.054 0.000 0.799 182 E CB -0.798 28.944 29.700 0.070 0.000 0.752 182 E HN 0.167 nan 8.360 nan 0.000 0.449 183 V N 1.276 121.138 119.914 -0.086 0.000 2.453 183 V HA -0.168 3.953 4.120 0.001 0.000 0.247 183 V C 2.242 178.232 176.094 -0.173 0.000 1.048 183 V CA 0.992 63.234 62.300 -0.097 0.000 1.049 183 V CB -0.108 31.683 31.823 -0.053 0.000 0.672 183 V HN 0.137 nan 8.190 nan 0.000 0.457 184 L N 0.157 121.149 121.223 -0.384 0.000 2.046 184 L HA -0.110 4.231 4.340 0.001 0.000 0.208 184 L C 2.642 179.465 176.870 -0.078 0.000 1.077 184 L CA 2.529 57.139 54.840 -0.384 0.000 0.747 184 L CB -0.633 40.950 42.059 -0.794 0.000 0.896 184 L HN 0.361 nan 8.230 nan 0.000 0.432 185 S N -0.837 114.868 115.700 0.008 0.000 2.368 185 S HA -0.249 4.221 4.470 0.001 0.000 0.225 185 S C 1.865 176.596 174.600 0.218 0.000 1.030 185 S CA 1.474 59.776 58.200 0.170 0.000 0.999 185 S CB -0.312 62.979 63.200 0.152 0.000 0.844 185 S HN 0.588 nan 8.310 nan 0.000 0.459 186 E N 1.040 121.305 120.200 0.107 0.000 2.047 186 E HA -0.166 4.184 4.350 0.001 0.000 0.191 186 E C 2.196 178.862 176.600 0.110 0.000 0.987 186 E CA 0.783 57.238 56.400 0.092 0.000 0.799 186 E CB 0.036 29.761 29.700 0.040 0.000 0.752 186 E HN 0.221 nan 8.360 nan 0.000 0.449 187 R N -0.007 120.549 120.500 0.092 0.000 2.081 187 R HA -0.139 4.201 4.340 0.001 0.000 0.235 187 R C 2.324 178.727 176.300 0.171 0.000 1.131 187 R CA 1.090 57.247 56.100 0.095 0.000 0.960 187 R CB -1.062 29.267 30.300 0.048 0.000 0.856 187 R HN 0.301 nan 8.270 nan 0.000 0.436 188 F N 1.835 121.816 119.950 0.051 0.000 2.091 188 F HA -0.238 4.290 4.527 0.002 0.000 0.299 188 F C 2.322 178.226 175.800 0.174 0.000 1.103 188 F CA 1.539 59.590 58.000 0.084 0.000 1.228 188 F CB -0.469 38.581 39.000 0.084 0.000 0.984 188 F HN 0.048 nan 8.300 nan 0.000 0.477 189 A N -0.121 122.867 122.820 0.280 0.000 1.898 189 A HA -0.184 4.137 4.320 0.001 0.000 0.216 189 A C 2.103 179.741 177.584 0.090 0.000 1.181 189 A CA 1.740 53.914 52.037 0.228 0.000 0.620 189 A CB -0.887 18.223 19.000 0.183 0.000 0.819 189 A HN 0.557 nan 8.150 nan 0.000 0.442 190 E N 0.234 120.477 120.200 0.072 0.000 2.204 190 E HA -0.124 4.227 4.350 0.001 0.000 0.194 190 E C 2.072 178.689 176.600 0.028 0.000 0.989 190 E CA 1.313 57.736 56.400 0.038 0.000 0.824 190 E CB -0.120 29.601 29.700 0.036 0.000 0.756 190 E HN 0.785 nan 8.360 nan 0.000 0.477 191 S N 0.206 115.922 115.700 0.026 0.000 2.548 191 S HA 0.269 4.740 4.470 0.001 0.000 0.215 191 S C 0.955 175.547 174.600 -0.013 0.000 0.976 191 S CA -0.135 58.073 58.200 0.013 0.000 0.908 191 S CB 0.268 63.487 63.200 0.032 0.000 0.781 191 S HN 0.197 nan 8.310 nan 0.000 0.519 192 A N 1.498 124.297 122.820 -0.035 0.000 2.520 192 A HA 0.475 4.795 4.320 0.001 0.000 0.235 192 A C 0.626 178.214 177.584 0.007 0.000 1.065 192 A CA 0.037 52.051 52.037 -0.039 0.000 0.764 192 A CB -0.687 18.332 19.000 0.031 0.000 1.002 192 A HN 1.226 nan 8.150 nan 0.000 0.502 193 c N 1.335 119.943 118.600 0.013 0.000 3.086 193 c HA 0.841 5.412 4.570 0.001 0.000 0.311 193 c C 0.154 174.266 174.090 0.037 0.000 1.260 193 c CA -0.929 55.415 56.329 0.025 0.000 1.426 193 c CB 0.663 43.184 42.510 0.019 0.000 1.826 193 c HN 1.128 nan 8.230 nan 0.000 0.474 194 N N 0.361 119.084 118.700 0.039 0.000 1.192 194 N HA -0.183 4.558 4.740 0.001 0.000 0.127 194 N C -0.104 175.445 175.510 0.066 0.000 0.811 194 N CA 1.783 54.861 53.050 0.046 0.000 0.897 194 N CB -1.488 37.023 38.487 0.041 0.000 1.110 194 N HN 1.031 nan 8.380 nan 0.000 0.573 195 T N 1.956 116.555 114.554 0.075 0.000 2.780 195 T HA 0.545 4.896 4.350 0.001 0.000 0.294 195 T C 0.299 175.079 174.700 0.133 0.000 0.949 195 T CA -0.467 61.695 62.100 0.104 0.000 1.074 195 T CB 0.635 69.567 68.868 0.106 0.000 0.910 195 T HN 0.489 nan 8.240 nan 0.000 0.501 196 V N 2.073 122.094 119.914 0.179 0.000 2.815 196 V HA 0.850 4.971 4.120 0.001 0.000 0.314 196 V C -0.590 175.692 176.094 0.312 0.000 1.064 196 V CA -1.417 61.031 62.300 0.247 0.000 0.952 196 V CB 1.903 33.937 31.823 0.351 0.000 1.020 196 V HN 0.700 nan 8.190 nan 0.000 0.439 197 R N 1.412 122.136 120.500 0.373 0.000 2.711 197 R HA 0.863 5.203 4.340 0.001 0.000 0.284 197 R C -1.163 175.413 176.300 0.459 0.000 0.968 197 R CA -0.646 55.714 56.100 0.433 0.000 0.924 197 R CB 2.187 32.799 30.300 0.521 0.000 1.162 197 R HN 0.747 nan 8.270 nan 0.000 0.465 198 V N 2.864 123.004 119.914 0.376 0.000 2.588 198 V HA 0.510 4.631 4.120 0.001 0.000 0.304 198 V C -1.193 174.995 176.094 0.157 0.000 1.042 198 V CA -0.740 61.694 62.300 0.224 0.000 0.877 198 V CB 2.160 33.965 31.823 -0.031 0.000 0.996 198 V HN 0.499 nan 8.190 nan 0.000 0.425 199 V N 8.255 128.225 119.914 0.095 0.000 2.350 199 V HA 0.506 4.627 4.120 0.001 0.000 0.276 199 V C 0.039 176.111 176.094 -0.038 0.000 1.028 199 V CA -0.275 62.007 62.300 -0.030 0.000 0.860 199 V CB 0.997 32.779 31.823 -0.068 0.000 0.990 199 V HN 0.702 nan 8.190 nan 0.000 0.453 200 L N 3.384 124.568 121.223 -0.065 0.000 2.286 200 L HA 0.626 4.967 4.340 0.001 0.000 0.265 200 L C 0.151 177.003 176.870 -0.030 0.000 1.012 200 L CA -0.796 54.030 54.840 -0.023 0.000 0.818 200 L CB 1.704 43.774 42.059 0.018 0.000 1.337 200 L HN 0.447 nan 8.230 nan 0.000 0.438 201 N N 0.503 119.211 118.700 0.013 0.000 2.500 201 N HA 0.164 4.905 4.740 0.001 0.000 0.236 201 N C 0.596 176.127 175.510 0.036 0.000 1.022 201 N CA -0.084 52.975 53.050 0.015 0.000 0.935 201 N CB 1.712 40.218 38.487 0.032 0.000 1.147 201 N HN 0.800 nan 8.380 nan 0.000 0.512 202 G N 1.346 110.171 108.800 0.041 0.000 2.776 202 G HA2 -0.099 3.861 3.960 0.001 0.000 0.209 202 G HA3 -0.099 3.861 3.960 0.001 0.000 0.209 202 G C 0.885 175.836 174.900 0.086 0.000 1.145 202 G CA 0.151 45.297 45.100 0.076 0.000 0.791 202 G HN 0.499 nan 8.290 nan 0.000 0.530 203 S N -0.246 115.501 115.700 0.077 0.000 2.575 203 S HA 0.345 4.816 4.470 0.001 0.000 0.215 203 S C 0.692 175.314 174.600 0.037 0.000 0.966 203 S CA -0.311 57.925 58.200 0.060 0.000 0.911 203 S CB 0.041 63.280 63.200 0.066 0.000 0.780 203 S HN 0.214 nan 8.310 nan 0.000 0.514 204 L N 1.010 122.255 121.223 0.037 0.000 2.358 204 L HA 0.418 4.759 4.340 0.001 0.000 0.268 204 L C 1.354 178.242 176.870 0.029 0.000 1.032 204 L CA -0.835 54.023 54.840 0.029 0.000 0.805 204 L CB 0.601 42.678 42.059 0.030 0.000 1.253 204 L HN -0.075 nan 8.230 nan 0.000 0.452 205 E N 0.807 121.020 120.200 0.023 0.000 2.077 205 E HA -0.107 4.243 4.350 0.001 0.000 0.193 205 E C -0.082 176.539 176.600 0.034 0.000 0.989 205 E CA 1.336 57.750 56.400 0.023 0.000 0.800 205 E CB -0.155 29.555 29.700 0.017 0.000 0.746 205 E HN 0.551 nan 8.360 nan 0.000 0.452 206 N N -0.302 118.420 118.700 0.037 0.000 2.569 206 N HA 0.323 5.064 4.740 0.001 0.000 0.254 206 N C 0.181 175.733 175.510 0.070 0.000 1.004 206 N CA 0.009 53.093 53.050 0.056 0.000 0.904 206 N CB 1.818 40.328 38.487 0.039 0.000 1.165 206 N HN -0.028 nan 8.380 nan 0.000 0.513 207 A N 2.082 124.961 122.820 0.099 0.000 1.972 207 A HA -0.113 4.208 4.320 0.001 0.000 0.219 207 A C 0.475 178.171 177.584 0.185 0.000 1.169 207 A CA 1.076 53.182 52.037 0.115 0.000 0.635 207 A CB -0.223 18.844 19.000 0.112 0.000 0.810 207 A HN 0.611 nan 8.150 nan 0.000 0.446 208 F N 0.940 120.925 119.950 0.058 0.000 2.385 208 F HA 0.496 5.024 4.527 0.003 0.000 0.360 208 F C -0.664 175.171 175.800 0.057 0.000 1.122 208 F CA -1.968 56.083 58.000 0.085 0.000 1.090 208 F CB 0.890 39.941 39.000 0.084 0.000 1.150 208 F HN 0.051 nan 8.300 nan 0.000 0.472 209 D N 3.488 123.565 120.400 -0.537 0.000 2.427 209 D HA 0.133 4.774 4.640 0.001 0.000 0.226 209 D C 0.845 176.686 176.300 -0.766 0.000 1.076 209 D CA -0.143 53.577 54.000 -0.467 0.000 0.849 209 D CB 1.387 42.049 40.800 -0.229 0.000 1.052 209 D HN 0.507 nan 8.370 nan 0.000 0.515 210 S N 3.342 118.649 115.700 -0.655 0.000 2.507 210 S HA -0.115 4.356 4.470 0.001 0.000 0.235 210 S C 1.421 175.858 174.600 -0.272 0.000 0.988 210 S CA 0.392 58.291 58.200 -0.502 0.000 0.944 210 S CB -0.121 62.978 63.200 -0.169 0.000 0.762 210 S HN 0.499 nan 8.310 nan 0.000 0.526 211 M N 2.290 121.758 119.600 -0.220 0.000 2.371 211 M HA 0.280 4.760 4.480 0.001 0.000 0.246 211 M C 0.852 177.072 176.300 -0.133 0.000 1.103 211 M CA -0.000 55.223 55.300 -0.128 0.000 1.010 211 M CB -0.376 32.179 32.600 -0.075 0.000 1.457 211 M HN 0.521 nan 8.290 nan 0.000 0.486 212 S N -0.321 115.268 115.700 -0.186 0.000 2.624 212 S HA 0.330 4.801 4.470 0.001 0.000 0.263 212 S C 1.425 175.955 174.600 -0.117 0.000 1.287 212 S CA -0.617 57.494 58.200 -0.148 0.000 0.990 212 S CB 1.080 64.201 63.200 -0.131 0.000 0.950 212 S HN 0.301 nan 8.310 nan 0.000 0.561 213 I N 0.024 120.533 120.570 -0.101 0.000 2.286 213 I HA -0.116 4.055 4.170 0.001 0.000 0.248 213 I C 2.186 178.289 176.117 -0.023 0.000 1.115 213 I CA 1.515 62.778 61.300 -0.063 0.000 1.392 213 I CB -0.439 37.517 38.000 -0.073 0.000 1.065 213 I HN 0.718 nan 8.210 nan 0.000 0.418 214 F N 1.776 121.644 119.950 -0.137 0.000 2.134 214 F HA -0.139 4.389 4.527 0.001 0.000 0.299 214 F C 2.228 178.012 175.800 -0.026 0.000 1.097 214 F CA 1.753 59.706 58.000 -0.078 0.000 1.264 214 F CB -0.719 38.249 39.000 -0.054 0.000 1.001 214 F HN -0.031 nan 8.300 nan 0.000 0.479 215 G N -0.431 108.248 108.800 -0.202 0.000 2.430 215 G HA2 -0.105 3.856 3.960 0.001 0.000 0.216 215 G HA3 -0.105 3.856 3.960 0.001 0.000 0.216 215 G C 1.839 176.636 174.900 -0.173 0.000 1.146 215 G CA 0.239 45.173 45.100 -0.276 0.000 0.793 215 G HN 0.299 nan 8.290 nan 0.000 0.537 216 R N -0.835 119.574 120.500 -0.151 0.000 2.140 216 R HA 0.208 4.549 4.340 0.001 0.000 0.213 216 R C 2.058 178.307 176.300 -0.084 0.000 1.059 216 R CA 0.640 56.683 56.100 -0.095 0.000 1.000 216 R CB 0.193 30.455 30.300 -0.064 0.000 0.910 216 R HN 0.317 nan 8.270 nan 0.000 0.455 217 V N -0.436 119.423 119.914 -0.092 0.000 3.090 217 V HA 0.033 4.154 4.120 0.001 0.000 0.237 217 V C 1.434 177.483 176.094 -0.076 0.000 1.209 217 V CA 0.696 62.965 62.300 -0.053 0.000 1.209 217 V CB 0.483 32.303 31.823 -0.005 0.000 0.971 217 V HN 0.144 nan 8.190 nan 0.000 0.477 218 E N 1.077 121.198 120.200 -0.131 0.000 2.030 218 E HA 0.018 4.369 4.350 0.001 0.000 0.189 218 E C 2.305 178.675 176.600 -0.383 0.000 0.974 218 E CA 1.140 57.442 56.400 -0.164 0.000 0.807 218 E CB -0.318 29.363 29.700 -0.031 0.000 0.771 218 E HN 0.460 nan 8.360 nan 0.000 0.451 219 A N 1.952 124.377 122.820 -0.658 0.000 1.892 219 A HA -0.135 4.186 4.320 0.001 0.000 0.218 219 A C -0.345 177.035 177.584 -0.341 0.000 1.188 219 A CA 1.523 53.182 52.037 -0.629 0.000 0.631 219 A CB -1.544 16.977 19.000 -0.798 0.000 0.822 219 A HN 0.151 nan 8.150 nan 0.000 0.447 220 P HA -0.020 nan 4.420 nan 0.000 0.229 220 P C 0.194 177.424 177.300 -0.116 0.000 1.160 220 P CA 1.136 64.143 63.100 -0.155 0.000 0.777 220 P CB -0.165 31.467 31.700 -0.113 0.000 0.814 221 N N -1.625 117.007 118.700 -0.113 0.000 2.214 221 N HA 0.092 4.832 4.740 0.001 0.000 0.214 221 N C -0.293 175.182 175.510 -0.059 0.000 1.132 221 N CA -0.364 52.647 53.050 -0.064 0.000 0.856 221 N CB -0.049 38.421 38.487 -0.029 0.000 1.020 221 N HN -0.024 nan 8.380 nan 0.000 0.509 222 L N 2.084 123.244 121.223 -0.104 0.000 2.499 222 L HA 0.064 4.405 4.340 0.001 0.000 0.273 222 L C 0.812 177.656 176.870 -0.042 0.000 1.195 222 L CA 0.250 55.041 54.840 -0.082 0.000 0.882 222 L CB 0.070 42.044 42.059 -0.141 0.000 1.133 222 L HN 0.180 nan 8.230 nan 0.000 0.483 223 R N 5.954 126.447 120.500 -0.011 0.000 2.537 223 R HA 0.036 4.376 4.340 0.001 0.000 0.281 223 R C -2.172 174.122 176.300 -0.010 0.000 0.988 223 R CA -0.970 55.127 56.100 -0.005 0.000 1.077 223 R CB 0.193 30.498 30.300 0.008 0.000 0.932 223 R HN 0.459 nan 8.270 nan 0.000 0.409 224 P HA 0.004 nan 4.420 nan 0.000 0.269 224 P C -0.774 176.524 177.300 -0.003 0.000 1.209 224 P CA 0.283 63.374 63.100 -0.014 0.000 0.776 224 P CB 0.644 32.336 31.700 -0.014 0.000 0.876 225 Q N -2.505 117.294 119.800 -0.002 0.000 2.374 225 Q HA -0.182 4.159 4.340 0.001 0.000 0.218 225 Q C 0.399 176.410 176.000 0.018 0.000 0.691 225 Q CA 0.596 56.403 55.803 0.007 0.000 1.340 225 Q CB -2.303 26.439 28.738 0.006 0.000 1.498 225 Q HN 0.491 nan 8.270 nan 0.000 0.739 226 V N -1.367 118.560 119.914 0.021 0.000 3.441 226 V HA 0.330 4.451 4.120 0.001 0.000 0.300 226 V C 0.362 176.485 176.094 0.049 0.000 1.091 226 V CA -0.170 62.154 62.300 0.039 0.000 1.099 226 V CB 1.287 33.140 31.823 0.051 0.000 1.138 226 V HN 0.189 nan 8.190 nan 0.000 0.471 227 E N 1.273 121.514 120.200 0.068 0.000 2.210 227 E HA 0.592 4.943 4.350 0.001 0.000 0.266 227 E C -1.346 175.325 176.600 0.118 0.000 0.883 227 E CA -0.756 55.692 56.400 0.080 0.000 0.761 227 E CB 2.300 32.039 29.700 0.064 0.000 1.156 227 E HN 0.669 nan 8.360 nan 0.000 0.412 228 L N 2.043 123.356 121.223 0.150 0.000 2.322 228 L HA 0.353 4.694 4.340 0.001 0.000 0.281 228 L C -0.913 176.075 176.870 0.196 0.000 1.014 228 L CA -0.175 54.791 54.840 0.210 0.000 0.815 228 L CB 1.330 43.527 42.059 0.230 0.000 1.247 228 L HN 0.463 nan 8.230 nan 0.000 0.421 229 E N 4.221 124.517 120.200 0.161 0.000 2.145 229 E HA 0.682 5.033 4.350 0.001 0.000 0.270 229 E C -1.007 175.598 176.600 0.007 0.000 0.906 229 E CA -0.809 55.588 56.400 -0.005 0.000 0.761 229 E CB 1.702 31.431 29.700 0.048 0.000 1.116 229 E HN 0.760 nan 8.360 nan 0.000 0.408 230 A N 3.432 126.146 122.820 -0.177 0.000 2.317 230 A HA 0.571 4.892 4.320 0.001 0.000 0.327 230 A C -1.533 175.814 177.584 -0.395 0.000 1.178 230 A CA -0.579 51.411 52.037 -0.078 0.000 0.817 230 A CB 0.485 19.583 19.000 0.163 0.000 1.189 230 A HN 0.628 nan 8.150 nan 0.000 0.489 231 W N 2.094 123.337 121.300 -0.094 0.000 2.475 231 W HA 0.563 5.224 4.660 0.001 0.000 0.320 231 W C -1.070 175.290 176.519 -0.264 0.000 1.022 231 W CA -0.365 56.856 57.345 -0.208 0.000 1.240 231 W CB 1.588 30.826 29.460 -0.371 0.000 1.328 231 W HN 0.351 nan 8.180 nan 0.000 0.439 232 L N 4.647 125.864 121.223 -0.011 0.000 2.262 232 L HA 0.522 4.863 4.340 0.001 0.000 0.288 232 L C -0.235 176.608 176.870 -0.045 0.000 1.035 232 L CA -0.582 54.243 54.840 -0.025 0.000 0.820 232 L CB 0.843 42.912 42.059 0.017 0.000 1.204 232 L HN 0.134 nan 8.230 nan 0.000 0.424 233 V N 2.927 122.766 119.914 -0.124 0.000 2.495 233 V HA 0.506 4.627 4.120 0.001 0.000 0.298 233 V C -0.400 175.642 176.094 -0.088 0.000 1.031 233 V CA -0.809 61.375 62.300 -0.193 0.000 0.871 233 V CB 1.583 33.161 31.823 -0.407 0.000 0.988 233 V HN 0.899 nan 8.190 nan 0.000 0.432 234 H N 0.992 120.047 119.070 -0.025 0.000 2.676 234 H HA 0.724 5.281 4.556 0.001 0.000 0.352 234 H C -0.761 174.567 175.328 0.001 0.000 1.193 234 H CA -1.159 54.884 56.048 -0.008 0.000 1.243 234 H CB 0.801 30.564 29.762 0.003 0.000 1.751 234 H HN 0.465 nan 8.280 nan 0.000 0.567 235 D N 0.519 121.042 120.400 0.205 0.000 2.371 235 D HA 0.140 4.781 4.640 0.001 0.000 0.242 235 D C 0.564 176.975 176.300 0.186 0.000 1.218 235 D CA 0.597 54.674 54.000 0.127 0.000 0.945 235 D CB 0.416 41.270 40.800 0.091 0.000 1.137 235 D HN 0.856 nan 8.370 nan 0.000 0.464 236 T N 0.576 115.187 114.554 0.095 0.000 3.416 236 T HA -0.206 4.144 4.350 0.001 0.000 0.283 236 T C 1.064 175.839 174.700 0.124 0.000 1.423 236 T CA 1.256 63.407 62.100 0.085 0.000 1.042 236 T CB -0.985 67.921 68.868 0.063 0.000 0.908 236 T HN 0.629 nan 8.240 nan 0.000 0.402 237 G N 1.208 110.061 108.800 0.088 0.000 3.959 237 G HA2 0.448 4.408 3.960 0.001 0.000 0.298 237 G HA3 0.448 4.408 3.960 0.001 0.000 0.298 237 G C -0.263 174.661 174.900 0.040 0.000 1.211 237 G CA -0.410 44.737 45.100 0.079 0.000 1.001 237 G HN 0.572 nan 8.290 nan 0.000 0.561 238 K N 1.863 122.293 120.400 0.050 0.000 2.248 238 K HA 0.333 4.654 4.320 0.001 0.000 0.281 238 K C -2.580 173.939 176.600 -0.134 0.000 1.054 238 K CA -1.675 54.607 56.287 -0.009 0.000 0.903 238 K CB 1.575 34.088 32.500 0.023 0.000 1.077 238 K HN 0.016 nan 8.250 nan 0.000 0.474 239 P HA 0.046 nan 4.420 nan 0.000 0.268 239 P C -2.424 174.718 177.300 -0.263 0.000 1.205 239 P CA -0.993 61.953 63.100 -0.256 0.000 0.771 239 P CB -0.166 31.457 31.700 -0.128 0.000 0.858 240 P HA 0.088 nan 4.420 nan 0.000 0.269 240 P C 0.080 177.343 177.300 -0.063 0.000 1.215 240 P CA 0.214 63.220 63.100 -0.156 0.000 0.780 240 P CB 0.428 32.079 31.700 -0.081 0.000 0.898 241 S N -1.081 114.611 115.700 -0.013 0.000 2.540 241 S HA 0.146 4.617 4.470 0.001 0.000 0.222 241 S C 0.059 174.668 174.600 0.014 0.000 1.008 241 S CA 0.202 58.401 58.200 -0.002 0.000 0.939 241 S CB 0.018 63.221 63.200 0.005 0.000 0.865 241 S HN 0.551 nan 8.310 nan 0.000 0.499 242 D N 0.684 121.099 120.400 0.026 0.000 2.596 242 D HA 0.633 5.274 4.640 0.001 0.000 0.234 242 D C -0.825 175.500 176.300 0.041 0.000 1.181 242 D CA -0.205 53.817 54.000 0.038 0.000 0.856 242 D CB 2.115 42.946 40.800 0.052 0.000 1.498 242 D HN 0.156 nan 8.370 nan 0.000 0.446 243 S N -0.253 115.471 115.700 0.040 0.000 2.685 243 S HA 0.333 4.804 4.470 0.001 0.000 0.282 243 S C 0.743 175.365 174.600 0.037 0.000 1.159 243 S CA -0.562 57.658 58.200 0.034 0.000 0.833 243 S CB 0.832 64.045 63.200 0.021 0.000 1.151 243 S HN 0.528 nan 8.310 nan 0.000 0.485 244 c N 1.791 120.403 118.600 0.018 0.000 2.422 244 c HA 0.061 4.632 4.570 0.001 0.000 0.286 244 c C 2.691 176.802 174.090 0.035 0.000 1.412 244 c CA 1.112 57.454 56.329 0.022 0.000 1.786 244 c CB -1.722 40.759 42.510 -0.047 0.000 1.835 244 c HN 0.955 nan 8.230 nan 0.000 0.533 245 S N 0.039 115.752 115.700 0.022 0.000 2.556 245 S HA 0.250 4.720 4.470 0.001 0.000 0.216 245 S C 0.922 175.538 174.600 0.027 0.000 0.970 245 S CA 0.310 58.522 58.200 0.021 0.000 0.912 245 S CB -0.150 63.055 63.200 0.008 0.000 0.790 245 S HN 0.542 nan 8.310 nan 0.000 0.504 246 G N 0.964 109.786 108.800 0.036 0.000 2.634 246 G HA2 0.379 4.340 3.960 0.001 0.000 0.255 246 G HA3 0.379 4.340 3.960 0.001 0.000 0.255 246 G C 0.688 175.614 174.900 0.044 0.000 1.205 246 G CA -0.211 44.912 45.100 0.039 0.000 0.884 246 G HN 0.262 nan 8.290 nan 0.000 0.549 247 S N -0.214 115.512 115.700 0.043 0.000 2.370 247 S HA -0.210 4.260 4.470 0.001 0.000 0.226 247 S C 2.826 177.466 174.600 0.067 0.000 1.033 247 S CA 1.846 60.072 58.200 0.044 0.000 1.011 247 S CB -0.321 62.902 63.200 0.039 0.000 0.852 247 S HN 0.856 nan 8.310 nan 0.000 0.457 248 S N 1.658 117.417 115.700 0.099 0.000 2.383 248 S HA 0.014 4.485 4.470 0.001 0.000 0.227 248 S C 1.769 176.472 174.600 0.172 0.000 1.026 248 S CA 0.665 58.975 58.200 0.183 0.000 0.981 248 S CB -0.467 62.855 63.200 0.204 0.000 0.818 248 S HN 0.345 nan 8.310 nan 0.000 0.472 249 I N 2.240 122.869 120.570 0.098 0.000 2.439 249 I HA -0.002 4.169 4.170 0.001 0.000 0.251 249 I C 2.711 178.791 176.117 -0.063 0.000 1.139 249 I CA 0.927 62.239 61.300 0.019 0.000 1.438 249 I CB -1.115 36.949 38.000 0.106 0.000 1.085 249 I HN 0.381 nan 8.210 nan 0.000 0.427 250 R N 0.861 121.354 120.500 -0.012 0.000 2.120 250 R HA -0.143 4.198 4.340 0.001 0.000 0.234 250 R C 2.182 178.424 176.300 -0.096 0.000 1.123 250 R CA 1.014 57.093 56.100 -0.035 0.000 0.975 250 R CB -0.139 30.160 30.300 -0.002 0.000 0.866 250 R HN 0.390 nan 8.270 nan 0.000 0.446 251 K N 0.497 120.853 120.400 -0.074 0.000 2.057 251 K HA -0.128 4.193 4.320 0.001 0.000 0.206 251 K C 2.040 178.457 176.600 -0.304 0.000 1.050 251 K CA 0.914 57.153 56.287 -0.080 0.000 0.935 251 K CB -0.243 32.316 32.500 0.098 0.000 0.715 251 K HN 0.016 nan 8.250 nan 0.000 0.439 252 L N 2.246 123.060 121.223 -0.681 0.000 2.012 252 L HA -0.217 4.123 4.340 0.001 0.000 0.210 252 L C 2.202 178.617 176.870 -0.758 0.000 1.073 252 L CA 1.902 56.063 54.840 -1.132 0.000 0.748 252 L CB -0.454 40.749 42.059 -1.427 0.000 0.891 252 L HN 0.044 nan 8.230 nan 0.000 0.431 253 K N -1.181 118.843 120.400 -0.627 0.000 2.103 253 K HA -0.202 4.119 4.320 0.001 0.000 0.207 253 K C 2.327 178.747 176.600 -0.301 0.000 1.048 253 K CA 1.505 57.487 56.287 -0.508 0.000 0.930 253 K CB -0.262 32.127 32.500 -0.184 0.000 0.716 253 K HN 0.481 nan 8.250 nan 0.000 0.444 254 S N 0.727 116.287 115.700 -0.232 0.000 2.368 254 S HA -0.120 4.351 4.470 0.001 0.000 0.225 254 S C 1.926 176.426 174.600 -0.167 0.000 1.030 254 S CA 1.221 59.329 58.200 -0.153 0.000 0.999 254 S CB -0.240 62.896 63.200 -0.107 0.000 0.844 254 S HN 0.347 nan 8.310 nan 0.000 0.459 255 I N 1.385 121.823 120.570 -0.220 0.000 2.163 255 I HA -0.210 3.961 4.170 0.001 0.000 0.243 255 I C 2.223 178.211 176.117 -0.214 0.000 1.085 255 I CA 1.257 62.433 61.300 -0.207 0.000 1.347 255 I CB -0.406 37.445 38.000 -0.249 0.000 1.044 255 I HN 0.317 nan 8.210 nan 0.000 0.408 256 L N 0.034 121.086 121.223 -0.284 0.000 2.056 256 L HA -0.214 4.126 4.340 0.001 0.000 0.207 256 L C 2.168 178.955 176.870 -0.139 0.000 1.078 256 L CA 1.115 55.817 54.840 -0.231 0.000 0.749 256 L CB -0.824 41.050 42.059 -0.309 0.000 0.901 256 L HN 0.245 nan 8.230 nan 0.000 0.433 257 D N 0.542 120.866 120.400 -0.127 0.000 2.133 257 D HA -0.165 4.476 4.640 0.001 0.000 0.195 257 D C 2.149 178.409 176.300 -0.067 0.000 0.997 257 D CA 1.625 55.581 54.000 -0.074 0.000 0.840 257 D CB -0.355 40.406 40.800 -0.065 0.000 0.947 257 D HN 0.368 nan 8.370 nan 0.000 0.452 258 G N 0.319 109.070 108.800 -0.082 0.000 2.443 258 G HA2 -0.215 3.746 3.960 0.001 0.000 0.219 258 G HA3 -0.215 3.746 3.960 0.001 0.000 0.219 258 G C 1.516 176.378 174.900 -0.064 0.000 1.131 258 G CA 0.166 45.225 45.100 -0.068 0.000 0.775 258 G HN 0.137 nan 8.290 nan 0.000 0.547 259 R N 0.189 120.642 120.500 -0.077 0.000 2.310 259 R HA 0.072 4.412 4.340 0.001 0.000 0.202 259 R C 0.780 177.052 176.300 -0.047 0.000 0.933 259 R CA 0.064 56.124 56.100 -0.067 0.000 1.054 259 R CB -0.845 29.402 30.300 -0.088 0.000 0.985 259 R HN 0.365 nan 8.270 nan 0.000 0.489 260 N N 0.516 119.191 118.700 -0.042 0.000 2.725 260 N HA -0.168 4.572 4.740 0.001 0.000 0.251 260 N C -1.481 174.018 175.510 -0.019 0.000 1.031 260 N CA 0.387 53.421 53.050 -0.026 0.000 0.720 260 N CB -1.060 37.416 38.487 -0.019 0.000 0.930 260 N HN -0.028 nan 8.380 nan 0.000 0.543 261 V N 1.553 121.452 119.914 -0.026 0.000 2.384 261 V HA 0.276 4.397 4.120 0.001 0.000 0.287 261 V C 0.691 176.799 176.094 0.023 0.000 1.020 261 V CA -0.879 61.417 62.300 -0.007 0.000 0.850 261 V CB 1.626 33.431 31.823 -0.031 0.000 0.987 261 V HN 0.150 nan 8.190 nan 0.000 0.436 262 K N 4.055 124.482 120.400 0.046 0.000 2.382 262 K HA 0.301 4.622 4.320 0.001 0.000 0.275 262 K C -0.890 175.800 176.600 0.149 0.000 1.009 262 K CA 0.012 56.343 56.287 0.072 0.000 0.970 262 K CB 0.630 33.156 32.500 0.044 0.000 0.934 262 K HN 0.469 nan 8.250 nan 0.000 0.479 263 F N 3.047 122.967 119.950 -0.049 0.000 2.518 263 F HA 0.378 4.906 4.527 0.002 0.000 0.323 263 F C -0.752 175.003 175.800 -0.075 0.000 1.129 263 F CA -0.929 57.032 58.000 -0.064 0.000 0.920 263 F CB 1.213 40.165 39.000 -0.080 0.000 1.160 263 F HN 0.346 nan 8.300 nan 0.000 0.440 264 R N 4.762 124.927 120.500 -0.558 0.000 2.561 264 R HA 0.635 4.975 4.340 0.001 0.000 0.297 264 R C -1.724 174.001 176.300 -0.957 0.000 0.969 264 R CA -0.786 54.925 56.100 -0.648 0.000 0.879 264 R CB 1.899 31.990 30.300 -0.348 0.000 1.178 264 R HN 0.722 nan 8.270 nan 0.000 0.445 265 c N 4.409 122.483 118.600 -0.877 0.000 2.396 265 c HA 0.675 5.246 4.570 0.001 0.000 0.321 265 c C -1.213 172.572 174.090 -0.508 0.000 1.233 265 c CA -0.603 55.281 56.329 -0.742 0.000 1.440 265 c CB 0.888 42.994 42.510 -0.674 0.000 2.110 265 c HN 0.769 nan 8.230 nan 0.000 0.473 266 M N 5.838 125.108 119.600 -0.550 0.000 2.383 266 M HA 0.587 5.068 4.480 0.001 0.000 0.325 266 M C -0.374 175.821 176.300 -0.175 0.000 1.092 266 M CA 0.026 55.081 55.300 -0.409 0.000 0.961 266 M CB 1.809 33.981 32.600 -0.713 0.000 1.672 266 M HN 0.854 nan 8.290 nan 0.000 0.438 267 D N -0.164 120.203 120.400 -0.055 0.000 2.798 267 D HA 0.424 5.065 4.640 0.001 0.000 0.308 267 D C -0.540 175.807 176.300 0.079 0.000 1.187 267 D CA -0.734 53.279 54.000 0.022 0.000 1.033 267 D CB 0.242 41.047 40.800 0.008 0.000 1.445 267 D HN 0.518 nan 8.370 nan 0.000 0.550 268 N N -1.410 117.362 118.700 0.121 0.000 2.738 268 N HA -0.150 4.590 4.740 0.001 0.000 0.249 268 N C -1.460 174.170 175.510 0.200 0.000 1.047 268 N CA 0.508 53.666 53.050 0.180 0.000 0.707 268 N CB -1.347 37.203 38.487 0.105 0.000 0.937 268 N HN 0.486 nan 8.380 nan 0.000 0.545 269 L N 0.365 121.673 121.223 0.141 0.000 2.362 269 L HA 0.497 4.838 4.340 0.001 0.000 0.275 269 L C 0.774 177.411 176.870 -0.388 0.000 0.998 269 L CA -0.849 53.999 54.840 0.014 0.000 0.820 269 L CB 1.856 43.985 42.059 0.116 0.000 1.270 269 L HN 0.315 nan 8.230 nan 0.000 0.415 270 S N 2.258 117.684 115.700 -0.456 0.000 2.645 270 S HA 0.274 4.744 4.470 0.001 0.000 0.266 270 S C 1.072 175.537 174.600 -0.225 0.000 1.258 270 S CA -0.556 57.257 58.200 -0.646 0.000 0.990 270 S CB 1.459 64.511 63.200 -0.246 0.000 0.967 270 S HN 0.779 nan 8.310 nan 0.000 0.556 271 R N 0.519 120.931 120.500 -0.147 0.000 2.096 271 R HA -0.180 4.161 4.340 0.001 0.000 0.240 271 R C 1.044 177.371 176.300 0.045 0.000 1.139 271 R CA 2.258 58.356 56.100 -0.003 0.000 0.952 271 R CB -0.853 29.447 30.300 0.000 0.000 0.854 271 R HN 0.769 nan 8.270 nan 0.000 0.436 272 D N 0.466 120.868 120.400 0.003 0.000 2.097 272 D HA -0.169 4.472 4.640 0.001 0.000 0.195 272 D C 2.095 178.393 176.300 -0.003 0.000 0.989 272 D CA 1.335 55.336 54.000 0.001 0.000 0.827 272 D CB -0.290 40.509 40.800 -0.001 0.000 0.966 272 D HN 0.451 nan 8.370 nan 0.000 0.456 273 Q N -0.635 119.170 119.800 0.009 0.000 2.124 273 Q HA -0.132 4.209 4.340 0.001 0.000 0.202 273 Q C 2.043 178.060 176.000 0.027 0.000 0.977 273 Q CA 0.750 56.565 55.803 0.020 0.000 0.850 273 Q CB -0.177 28.586 28.738 0.041 0.000 0.901 273 Q HN 0.285 nan 8.270 nan 0.000 0.429 274 F N 0.994 120.872 119.950 -0.120 0.000 2.113 274 F HA -0.135 4.392 4.527 0.001 0.000 0.297 274 F C 1.685 177.357 175.800 -0.214 0.000 1.103 274 F CA 1.240 59.117 58.000 -0.204 0.000 1.248 274 F CB -0.181 38.684 39.000 -0.226 0.000 0.999 274 F HN -0.062 nan 8.300 nan 0.000 0.475 275 L N 0.218 121.249 121.223 -0.321 0.000 2.109 275 L HA -0.182 4.158 4.340 0.001 0.000 0.207 275 L C 2.644 179.368 176.870 -0.244 0.000 1.086 275 L CA 1.637 56.267 54.840 -0.349 0.000 0.760 275 L CB -0.872 41.117 42.059 -0.118 0.000 0.910 275 L HN 0.333 nan 8.230 nan 0.000 0.437 276 Q N 1.571 121.279 119.800 -0.153 0.000 2.224 276 Q HA -0.162 4.179 4.340 0.001 0.000 0.203 276 Q C 1.365 177.292 176.000 -0.122 0.000 0.970 276 Q CA 0.392 56.131 55.803 -0.107 0.000 0.865 276 Q CB 0.052 28.755 28.738 -0.059 0.000 0.922 276 Q HN 0.481 nan 8.270 nan 0.000 0.445 277 R N 0.000 120.402 120.500 -0.163 0.000 2.786 277 R HA 0.000 4.341 4.340 0.001 0.000 0.208 277 R CA 0.000 56.016 56.100 -0.139 0.000 0.921 277 R CB 0.000 30.204 30.300 -0.161 0.000 0.687 277 R HN 0.000 nan 8.270 nan 0.000 0.535