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 1up0_1_A DATA FIRST_RESID 88 DATA SEQUENCE ANPLAGKPFY VDPASAAXVA ARNANPPNAE LTSVANTPQS YWLDQAFPPA DATA SEQUENCE TVGGTVARYT GAAQAAGAMP VLTLYGIPHR DcGSYASGGF ATGTDYRGWI DATA SEQUENCE DAVASGLGSS PATIIVEPDA LAMADcLSPD QRQERFDLVR YAVDTLTRDP DATA SEQUENCE AAAVYVDAGH SRWLSAEAMA ARLNDVGVGR ARGFSLNVSN FYTTDEEIGY DATA SEQUENCE GEAISGLTNG SHYVIDTSRN GAGPAPDAPL NWcNPSGRAL GAPPTTATAG DATA SEQUENCE AHADAYLWIK RPGESDGTcG RGEPQAGRFV SQYAIDLAHN AGQ 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 88 A HA 0.000 nan 4.320 nan 0.000 0.244 88 A C 0.000 177.510 177.584 -0.123 0.000 1.274 88 A CA 0.000 51.987 52.037 -0.083 0.000 0.836 88 A CB 0.000 18.964 19.000 -0.060 0.000 0.831 89 N N 1.430 120.064 118.700 -0.109 0.000 2.416 89 N HA 0.283 5.004 4.740 -0.032 0.000 0.265 89 N C -1.293 174.180 175.510 -0.063 0.000 1.195 89 N CA -1.503 51.484 53.050 -0.106 0.000 0.943 89 N CB 0.962 39.405 38.487 -0.074 0.000 1.115 89 N HN 0.338 nan 8.380 nan 0.000 0.481 90 P HA -0.044 nan 4.420 nan 0.000 0.233 90 P C 0.873 178.185 177.300 0.019 0.000 1.167 90 P CA 0.803 63.893 63.100 -0.016 0.000 0.770 90 P CB 0.442 32.137 31.700 -0.008 0.000 0.837 91 L N -1.597 119.656 121.223 0.050 0.000 2.585 91 L HA 0.272 4.593 4.340 -0.032 0.000 0.226 91 L C 1.345 178.178 176.870 -0.062 0.000 1.113 91 L CA -0.313 54.579 54.840 0.087 0.000 0.876 91 L CB -0.334 41.878 42.059 0.255 0.000 1.072 91 L HN -0.126 nan 8.230 nan 0.000 0.468 92 A N -0.218 122.560 122.820 -0.071 0.000 2.304 92 A HA 0.562 4.863 4.320 -0.032 0.000 0.271 92 A C 1.286 178.790 177.584 -0.133 0.000 1.091 92 A CA 0.572 52.542 52.037 -0.112 0.000 0.812 92 A CB 0.549 19.501 19.000 -0.081 0.000 1.056 92 A HN 0.398 nan 8.150 nan 0.000 0.489 93 G N -0.198 108.516 108.800 -0.144 0.000 2.258 93 G HA2 -0.197 3.744 3.960 -0.032 0.000 0.233 93 G HA3 -0.197 3.744 3.960 -0.032 0.000 0.233 93 G C 0.127 174.939 174.900 -0.146 0.000 1.006 93 G CA 0.680 45.705 45.100 -0.124 0.000 0.620 93 G HN 1.528 nan 8.290 nan 0.000 0.511 94 K N 0.094 120.367 120.400 -0.212 0.000 2.536 94 K HA 0.684 4.985 4.320 -0.032 0.000 0.269 94 K C -3.221 173.167 176.600 -0.353 0.000 0.965 94 K CA -1.920 54.237 56.287 -0.217 0.000 0.860 94 K CB 2.690 35.099 32.500 -0.151 0.000 1.423 94 K HN 0.047 nan 8.250 nan 0.000 0.438 95 P HA 0.103 nan 4.420 nan 0.000 0.270 95 P C -0.809 176.316 177.300 -0.292 0.000 1.223 95 P CA -0.169 62.761 63.100 -0.283 0.000 0.785 95 P CB 0.177 31.809 31.700 -0.113 0.000 0.923 96 F N 0.123 120.076 119.950 0.005 0.000 2.418 96 F HA 0.143 4.649 4.527 -0.035 0.000 0.341 96 F C 1.062 176.914 175.800 0.086 0.000 1.120 96 F CA -0.041 57.986 58.000 0.045 0.000 1.232 96 F CB -0.237 38.775 39.000 0.021 0.000 1.175 96 F HN 0.257 nan 8.300 nan 0.000 0.569 97 Y N 2.366 122.773 120.300 0.179 0.000 2.465 97 Y HA 0.369 4.900 4.550 -0.031 0.000 0.331 97 Y C -0.377 175.568 175.900 0.076 0.000 1.102 97 Y CA -0.859 57.279 58.100 0.063 0.000 1.358 97 Y CB 0.383 38.846 38.460 0.005 0.000 1.213 97 Y HN 0.260 nan 8.280 nan 0.000 0.525 98 V N 7.043 126.723 119.914 -0.390 0.000 2.432 98 V HA 0.061 4.162 4.120 -0.032 0.000 0.271 98 V C -0.105 175.499 176.094 -0.817 0.000 1.046 98 V CA -0.799 61.255 62.300 -0.410 0.000 0.945 98 V CB 0.953 32.639 31.823 -0.228 0.000 0.992 98 V HN 0.688 nan 8.190 nan 0.000 0.471 99 D N 8.230 128.343 120.400 -0.479 0.000 2.346 99 D HA 0.158 4.779 4.640 -0.032 0.000 0.260 99 D C -1.057 175.105 176.300 -0.231 0.000 1.252 99 D CA -1.843 51.939 54.000 -0.364 0.000 0.895 99 D CB 1.707 42.510 40.800 0.005 0.000 1.097 99 D HN 0.294 nan 8.370 nan 0.000 0.489 100 P HA 0.023 nan 4.420 nan 0.000 0.233 100 P C 0.330 177.595 177.300 -0.058 0.000 1.167 100 P CA 0.322 63.353 63.100 -0.115 0.000 0.770 100 P CB 0.410 32.062 31.700 -0.079 0.000 0.837 101 A N -0.166 122.632 122.820 -0.036 0.000 2.535 101 A HA 0.307 4.607 4.320 -0.032 0.000 0.273 101 A C 0.952 178.535 177.584 -0.001 0.000 1.267 101 A CA -0.117 51.916 52.037 -0.006 0.000 0.940 101 A CB -0.480 18.535 19.000 0.025 0.000 1.101 101 A HN 0.266 nan 8.150 nan 0.000 0.521 102 S N -0.750 114.937 115.700 -0.021 0.000 2.584 102 S HA 0.460 4.911 4.470 -0.032 0.000 0.270 102 S C 1.362 175.883 174.600 -0.132 0.000 1.346 102 S CA 0.014 58.200 58.200 -0.022 0.000 1.018 102 S CB 1.268 64.461 63.200 -0.011 0.000 0.899 102 S HN 0.981 nan 8.310 nan 0.000 0.542 103 A N 2.198 124.893 122.820 -0.209 0.000 1.978 103 A HA 0.271 4.571 4.320 -0.032 0.000 0.220 103 A C 1.577 178.641 177.584 -0.868 0.000 1.170 103 A CA 1.273 53.040 52.037 -0.449 0.000 0.636 103 A CB -1.551 17.191 19.000 -0.431 0.000 0.810 103 A HN 1.431 nan 8.150 nan 0.000 0.448 107 A N 0.655 123.424 122.820 -0.085 0.000 1.877 107 A HA -0.004 4.297 4.320 -0.032 0.000 0.216 107 A C 2.212 179.818 177.584 0.037 0.000 1.186 107 A CA 2.902 54.950 52.037 0.018 0.000 0.620 107 A CB -0.698 18.384 19.000 0.137 0.000 0.822 107 A HN 1.010 nan 8.150 nan 0.000 0.443 108 A N -0.533 122.299 122.820 0.020 0.000 1.933 108 A HA -0.150 4.151 4.320 -0.032 0.000 0.218 108 A C 2.259 179.856 177.584 0.021 0.000 1.175 108 A CA 1.472 53.530 52.037 0.034 0.000 0.628 108 A CB -0.436 18.583 19.000 0.031 0.000 0.814 108 A HN 0.530 nan 8.150 nan 0.000 0.444 109 R N -0.618 119.885 120.500 0.005 0.000 2.115 109 R HA -0.020 4.301 4.340 -0.032 0.000 0.226 109 R C 1.346 177.652 176.300 0.010 0.000 1.100 109 R CA 1.133 57.236 56.100 0.005 0.000 0.980 109 R CB -0.208 30.090 30.300 -0.004 0.000 0.875 109 R HN 0.488 nan 8.270 nan 0.000 0.445 110 N N 0.706 119.414 118.700 0.013 0.000 2.416 110 N HA 0.018 4.739 4.740 -0.032 0.000 0.177 110 N C 0.095 175.619 175.510 0.023 0.000 1.036 110 N CA 0.230 53.290 53.050 0.017 0.000 0.901 110 N CB 0.198 38.697 38.487 0.019 0.000 0.976 110 N HN 0.081 nan 8.380 nan 0.000 0.444 111 A N 1.570 124.407 122.820 0.030 0.000 2.566 111 A HA 0.039 4.340 4.320 -0.032 0.000 0.245 111 A C 0.238 177.837 177.584 0.024 0.000 1.056 111 A CA 0.306 52.362 52.037 0.032 0.000 0.757 111 A CB -0.224 18.801 19.000 0.041 0.000 0.979 111 A HN 0.230 nan 8.150 nan 0.000 0.508 112 N N 2.955 121.668 118.700 0.021 0.000 2.577 112 N HA 0.454 5.175 4.740 -0.032 0.000 0.275 112 N C -2.431 173.088 175.510 0.014 0.000 1.091 112 N CA -1.249 51.811 53.050 0.016 0.000 0.843 112 N CB 1.177 39.672 38.487 0.013 0.000 1.295 112 N HN 0.582 nan 8.380 nan 0.000 0.530 113 P HA 0.524 nan 4.420 nan 0.000 0.276 113 P C -2.758 174.555 177.300 0.021 0.000 1.261 113 P CA -1.128 61.982 63.100 0.016 0.000 0.800 113 P CB -0.330 31.379 31.700 0.015 0.000 1.066 114 P HA 0.008 nan 4.420 nan 0.000 0.264 114 P C -0.064 177.256 177.300 0.032 0.000 1.179 114 P CA 0.341 63.458 63.100 0.027 0.000 0.763 114 P CB 0.219 31.933 31.700 0.024 0.000 0.806 115 N N 1.824 120.549 118.700 0.041 0.000 2.407 115 N HA 0.275 4.996 4.740 -0.032 0.000 0.277 115 N C 0.681 176.226 175.510 0.059 0.000 0.995 115 N CA -0.373 52.707 53.050 0.049 0.000 0.903 115 N CB 1.666 40.186 38.487 0.056 0.000 1.218 115 N HN 0.246 nan 8.380 nan 0.000 0.487 116 A N 3.682 126.537 122.820 0.059 0.000 1.969 116 A HA -0.099 4.201 4.320 -0.032 0.000 0.218 116 A C 1.648 179.282 177.584 0.083 0.000 1.169 116 A CA 1.351 53.427 52.037 0.064 0.000 0.635 116 A CB -0.152 18.884 19.000 0.060 0.000 0.810 116 A HN 0.766 nan 8.150 nan 0.000 0.445 117 E N 0.134 120.390 120.200 0.093 0.000 2.046 117 E HA -0.046 4.285 4.350 -0.032 0.000 0.190 117 E C 1.915 178.595 176.600 0.134 0.000 0.982 117 E CA 0.909 57.378 56.400 0.115 0.000 0.800 117 E CB -0.336 29.433 29.700 0.115 0.000 0.756 117 E HN 0.603 nan 8.360 nan 0.000 0.449 118 L N 0.371 121.671 121.223 0.128 0.000 2.046 118 L HA -0.171 4.149 4.340 -0.032 0.000 0.208 118 L C 2.314 179.260 176.870 0.126 0.000 1.077 118 L CA 1.389 56.322 54.840 0.155 0.000 0.747 118 L CB -0.626 41.520 42.059 0.146 0.000 0.896 118 L HN 0.194 nan 8.230 nan 0.000 0.432 119 T N -1.223 113.387 114.554 0.093 0.000 2.746 119 T HA -0.223 4.107 4.350 -0.032 0.000 0.267 119 T C 2.167 176.915 174.700 0.081 0.000 1.039 119 T CA 1.749 63.892 62.100 0.070 0.000 1.142 119 T CB -0.160 68.740 68.868 0.054 0.000 0.866 119 T HN 0.296 nan 8.240 nan 0.000 0.444 120 S N 0.368 116.128 115.700 0.101 0.000 2.353 120 S HA -0.132 4.319 4.470 -0.032 0.000 0.222 120 S C 2.181 176.875 174.600 0.157 0.000 1.035 120 S CA 1.517 59.786 58.200 0.114 0.000 1.025 120 S CB -0.586 62.694 63.200 0.134 0.000 0.902 120 S HN 0.295 nan 8.310 nan 0.000 0.440 121 V N 2.256 122.303 119.914 0.222 0.000 2.287 121 V HA -0.159 3.942 4.120 -0.032 0.000 0.248 121 V C 2.873 179.108 176.094 0.235 0.000 1.053 121 V CA 1.867 64.362 62.300 0.325 0.000 1.027 121 V CB -1.423 30.598 31.823 0.329 0.000 0.646 121 V HN 0.631 nan 8.190 nan 0.000 0.447 122 A N 0.165 123.073 122.820 0.146 0.000 1.972 122 A HA -0.195 4.106 4.320 -0.032 0.000 0.219 122 A C 1.859 179.463 177.584 0.033 0.000 1.169 122 A CA 1.919 53.998 52.037 0.071 0.000 0.635 122 A CB -0.537 18.481 19.000 0.031 0.000 0.810 122 A HN 0.585 nan 8.150 nan 0.000 0.446 123 N N -0.150 118.567 118.700 0.028 0.000 2.322 123 N HA 0.043 4.763 4.740 -0.032 0.000 0.194 123 N C -0.539 174.942 175.510 -0.049 0.000 1.126 123 N CA 0.399 53.440 53.050 -0.014 0.000 0.845 123 N CB 0.174 38.657 38.487 -0.008 0.000 0.976 123 N HN 0.310 nan 8.380 nan 0.000 0.475 124 T N 2.806 117.329 114.554 -0.052 0.000 2.795 124 T HA 0.308 4.639 4.350 -0.032 0.000 0.282 124 T C -2.584 172.037 174.700 -0.131 0.000 0.980 124 T CA -1.432 60.546 62.100 -0.204 0.000 1.012 124 T CB 2.243 70.821 68.868 -0.483 0.000 0.936 124 T HN 0.004 nan 8.240 nan 0.000 0.457 125 P HA 0.215 nan 4.420 nan 0.000 0.271 125 P C -0.854 176.468 177.300 0.037 0.000 1.216 125 P CA -0.252 62.839 63.100 -0.015 0.000 0.771 125 P CB 0.609 32.354 31.700 0.075 0.000 0.864 126 Q N 0.561 120.453 119.800 0.154 0.000 2.456 126 Q HA 0.453 4.774 4.340 -0.032 0.000 0.284 126 Q C -0.258 175.909 176.000 0.279 0.000 1.061 126 Q CA -0.937 55.023 55.803 0.263 0.000 0.799 126 Q CB 1.835 30.782 28.738 0.348 0.000 1.445 126 Q HN 0.501 nan 8.270 nan 0.000 0.411 127 S N -0.022 115.854 115.700 0.294 0.000 2.603 127 S HA 0.324 4.775 4.470 -0.032 0.000 0.268 127 S C -0.885 173.954 174.600 0.399 0.000 1.317 127 S CA -0.441 57.917 58.200 0.262 0.000 1.012 127 S CB 0.503 63.755 63.200 0.085 0.000 0.926 127 S HN 0.559 nan 8.310 nan 0.000 0.539 128 Y N 1.594 121.944 120.300 0.084 0.000 2.353 128 Y HA 0.525 5.055 4.550 -0.033 0.000 0.340 128 Y C -1.447 174.461 175.900 0.014 0.000 0.972 128 Y CA -1.972 56.131 58.100 0.006 0.000 1.157 128 Y CB 0.372 38.531 38.460 -0.501 0.000 1.157 128 Y HN 0.771 nan 8.280 nan 0.000 0.495 129 W N 7.582 128.697 121.300 -0.309 0.000 2.351 129 W HA 0.609 5.252 4.660 -0.027 0.000 0.311 129 W C -1.178 175.097 176.519 -0.406 0.000 1.168 129 W CA -0.630 56.582 57.345 -0.222 0.000 1.200 129 W CB 0.862 30.309 29.460 -0.021 0.000 1.221 129 W HN 0.362 nan 8.180 nan 0.000 0.519 130 L N 4.941 126.120 121.223 -0.074 0.000 2.346 130 L HA 0.491 4.811 4.340 -0.032 0.000 0.276 130 L C -0.139 177.021 176.870 0.483 0.000 1.006 130 L CA -0.775 54.002 54.840 -0.105 0.000 0.817 130 L CB 1.524 43.438 42.059 -0.242 0.000 1.272 130 L HN 0.463 nan 8.230 nan 0.000 0.421 131 D N 0.671 121.418 120.400 0.578 0.000 3.076 131 D HA 0.055 4.675 4.640 -0.032 0.000 0.301 131 D C 0.349 176.666 176.300 0.027 0.000 1.260 131 D CA -0.492 53.664 54.000 0.260 0.000 1.027 131 D CB 0.161 41.076 40.800 0.192 0.000 1.370 131 D HN 0.356 nan 8.370 nan 0.000 0.602 132 Q N 0.106 119.602 119.800 -0.507 0.000 2.500 132 Q HA 0.042 4.363 4.340 -0.032 0.000 0.213 132 Q C 1.387 177.168 176.000 -0.366 0.000 0.974 132 Q CA 1.522 56.717 55.803 -1.013 0.000 0.918 132 Q CB -0.717 27.183 28.738 -1.396 0.000 0.980 132 Q HN 0.517 nan 8.270 nan 0.000 0.505 133 A N 0.323 123.061 122.820 -0.136 0.000 2.172 133 A HA 0.056 4.357 4.320 -0.032 0.000 0.216 133 A C 0.091 177.506 177.584 -0.282 0.000 1.154 133 A CA 0.256 52.167 52.037 -0.210 0.000 0.701 133 A CB -0.333 18.485 19.000 -0.302 0.000 0.789 133 A HN 0.273 nan 8.150 nan 0.000 0.465 134 F N 1.207 121.263 119.950 0.176 0.000 2.307 134 F HA 0.342 4.851 4.527 -0.030 0.000 0.369 134 F C -2.249 173.823 175.800 0.454 0.000 1.076 134 F CA -3.083 55.101 58.000 0.306 0.000 1.149 134 F CB 1.078 40.304 39.000 0.376 0.000 1.410 134 F HN -0.005 nan 8.300 nan 0.000 0.481 135 P HA 0.119 nan 4.420 nan 0.000 0.272 135 P C -2.229 175.351 177.300 0.466 0.000 1.230 135 P CA -1.420 61.950 63.100 0.450 0.000 0.788 135 P CB 0.817 32.670 31.700 0.255 0.000 0.949 136 P HA -0.210 nan 4.420 nan 0.000 0.217 136 P C 1.447 178.840 177.300 0.155 0.000 1.151 136 P CA 2.212 65.460 63.100 0.246 0.000 0.849 136 P CB -0.565 31.201 31.700 0.110 0.000 0.787 137 A N -0.863 122.045 122.820 0.147 0.000 2.019 137 A HA -0.146 4.154 4.320 -0.032 0.000 0.219 137 A C 2.021 179.671 177.584 0.110 0.000 1.164 137 A CA 2.429 54.529 52.037 0.106 0.000 0.644 137 A CB -1.431 17.626 19.000 0.095 0.000 0.805 137 A HN 0.391 nan 8.150 nan 0.000 0.449 138 T N -5.755 108.890 114.554 0.151 0.000 2.986 138 T HA 0.148 4.479 4.350 -0.032 0.000 0.264 138 T C 1.385 176.192 174.700 0.178 0.000 0.964 138 T CA 0.691 62.882 62.100 0.151 0.000 0.895 138 T CB -0.104 68.858 68.868 0.157 0.000 1.163 138 T HN 0.137 nan 8.240 nan 0.000 0.517 139 V N 2.227 122.268 119.914 0.211 0.000 2.594 139 V HA 0.096 4.197 4.120 -0.032 0.000 0.253 139 V C 2.491 178.615 176.094 0.050 0.000 1.069 139 V CA 2.309 64.723 62.300 0.190 0.000 1.082 139 V CB -1.052 30.882 31.823 0.186 0.000 0.680 139 V HN 0.657 nan 8.190 nan 0.000 0.469 140 G N -0.171 108.642 108.800 0.022 0.000 2.446 140 G HA2 -0.206 3.735 3.960 -0.032 0.000 0.217 140 G HA3 -0.206 3.735 3.960 -0.032 0.000 0.217 140 G C 1.575 176.492 174.900 0.028 0.000 1.168 140 G CA 0.840 45.935 45.100 -0.008 0.000 0.771 140 G HN 0.654 nan 8.290 nan 0.000 0.551 141 G N -0.055 108.783 108.800 0.062 0.000 2.408 141 G HA2 -0.104 3.837 3.960 -0.032 0.000 0.217 141 G HA3 -0.104 3.837 3.960 -0.032 0.000 0.217 141 G C 1.847 176.811 174.900 0.106 0.000 1.150 141 G CA 1.709 46.855 45.100 0.075 0.000 0.776 141 G HN 0.392 nan 8.290 nan 0.000 0.542 142 T N 0.857 115.500 114.554 0.147 0.000 2.746 142 T HA -0.112 4.219 4.350 -0.032 0.000 0.267 142 T C 2.536 177.337 174.700 0.169 0.000 1.039 142 T CA 1.286 63.509 62.100 0.204 0.000 1.142 142 T CB -0.239 68.799 68.868 0.284 0.000 0.866 142 T HN 0.068 nan 8.240 nan 0.000 0.444 143 V N 1.569 121.534 119.914 0.085 0.000 2.358 143 V HA -0.106 3.994 4.120 -0.032 0.000 0.246 143 V C 2.884 179.028 176.094 0.084 0.000 1.047 143 V CA 1.559 63.895 62.300 0.061 0.000 1.035 143 V CB -1.167 30.629 31.823 -0.045 0.000 0.658 143 V HN 0.518 nan 8.190 nan 0.000 0.452 144 A N 0.147 122.998 122.820 0.052 0.000 1.902 144 A HA -0.268 4.033 4.320 -0.032 0.000 0.217 144 A C 2.399 180.008 177.584 0.041 0.000 1.181 144 A CA 2.128 54.185 52.037 0.033 0.000 0.623 144 A CB -0.577 18.435 19.000 0.020 0.000 0.818 144 A HN 0.501 nan 8.150 nan 0.000 0.443 145 R N -2.155 118.390 120.500 0.075 0.000 2.073 145 R HA -0.197 4.123 4.340 -0.032 0.000 0.234 145 R C 2.078 178.412 176.300 0.057 0.000 1.134 145 R CA 2.046 58.188 56.100 0.069 0.000 0.952 145 R CB -0.500 29.865 30.300 0.109 0.000 0.850 145 R HN 0.589 nan 8.270 nan 0.000 0.433 146 Y N 1.133 121.425 120.300 -0.013 0.000 2.220 146 Y HA -0.165 4.365 4.550 -0.034 0.000 0.291 146 Y C 2.562 178.380 175.900 -0.137 0.000 1.129 146 Y CA 2.183 60.251 58.100 -0.053 0.000 1.161 146 Y CB -0.252 38.219 38.460 0.018 0.000 0.997 146 Y HN 0.295 nan 8.280 nan 0.000 0.522 147 T N -3.093 111.491 114.554 0.051 0.000 2.904 147 T HA -0.047 4.283 4.350 -0.032 0.000 0.267 147 T C 2.168 176.774 174.700 -0.157 0.000 1.059 147 T CA 1.049 63.115 62.100 -0.056 0.000 1.137 147 T CB -1.106 67.768 68.868 0.010 0.000 0.879 147 T HN 0.358 nan 8.240 nan 0.000 0.467 148 G N 1.130 109.859 108.800 -0.118 0.000 2.408 148 G HA2 0.132 4.072 3.960 -0.032 0.000 0.217 148 G HA3 0.132 4.072 3.960 -0.032 0.000 0.217 148 G C 1.895 176.682 174.900 -0.189 0.000 1.150 148 G CA 0.673 45.700 45.100 -0.121 0.000 0.776 148 G HN 0.719 nan 8.290 nan 0.000 0.542 149 A N 1.175 123.838 122.820 -0.261 0.000 1.902 149 A HA 0.301 4.601 4.320 -0.032 0.000 0.217 149 A C 2.789 180.041 177.584 -0.553 0.000 1.181 149 A CA 2.150 53.994 52.037 -0.323 0.000 0.623 149 A CB -0.707 18.112 19.000 -0.302 0.000 0.818 149 A HN 0.705 nan 8.150 nan 0.000 0.443 150 A N -0.770 121.513 122.820 -0.895 0.000 1.898 150 A HA -0.198 4.103 4.320 -0.032 0.000 0.216 150 A C 2.190 179.529 177.584 -0.408 0.000 1.181 150 A CA 1.780 53.197 52.037 -1.035 0.000 0.620 150 A CB -0.595 17.821 19.000 -0.974 0.000 0.819 150 A HN 0.654 nan 8.150 nan 0.000 0.442 151 Q N -0.428 119.204 119.800 -0.280 0.000 2.096 151 Q HA -0.138 4.183 4.340 -0.032 0.000 0.204 151 Q C 2.056 177.981 176.000 -0.124 0.000 0.982 151 Q CA 1.684 57.392 55.803 -0.158 0.000 0.850 151 Q CB -0.367 28.298 28.738 -0.120 0.000 0.901 151 Q HN 0.599 nan 8.270 nan 0.000 0.422 152 A N 0.129 122.869 122.820 -0.133 0.000 2.070 152 A HA 0.000 4.301 4.320 -0.032 0.000 0.220 152 A C 1.997 179.545 177.584 -0.061 0.000 1.159 152 A CA 1.383 53.368 52.037 -0.086 0.000 0.656 152 A CB -0.504 18.449 19.000 -0.078 0.000 0.800 152 A HN 0.507 nan 8.150 nan 0.000 0.453 153 A N -1.699 121.081 122.820 -0.067 0.000 2.275 153 A HA 0.442 4.743 4.320 -0.032 0.000 0.212 153 A C 1.616 179.194 177.584 -0.011 0.000 1.201 153 A CA 0.976 53.013 52.037 0.000 0.000 0.843 153 A CB -0.840 18.229 19.000 0.114 0.000 0.873 153 A HN 1.809 nan 8.150 nan 0.000 0.492 154 G N -1.507 107.265 108.800 -0.047 0.000 2.221 154 G HA2 0.158 4.099 3.960 -0.032 0.000 0.265 154 G HA3 0.158 4.099 3.960 -0.032 0.000 0.265 154 G C 0.198 175.069 174.900 -0.049 0.000 1.041 154 G CA 0.522 45.593 45.100 -0.049 0.000 0.807 154 G HN 1.709 nan 8.290 nan 0.000 0.502 155 A N -1.123 121.668 122.820 -0.049 0.000 2.515 155 A HA 0.916 5.217 4.320 -0.032 0.000 0.296 155 A C -0.273 177.296 177.584 -0.026 0.000 1.094 155 A CA -0.240 51.788 52.037 -0.015 0.000 0.718 155 A CB 1.464 20.535 19.000 0.117 0.000 1.307 155 A HN 1.357 nan 8.150 nan 0.000 0.408 156 M N 3.022 122.638 119.600 0.026 0.000 2.084 156 M HA 0.455 4.916 4.480 -0.032 0.000 0.351 156 M C -2.462 173.975 176.300 0.228 0.000 1.240 156 M CA -2.363 52.994 55.300 0.095 0.000 1.083 156 M CB 0.877 33.537 32.600 0.099 0.000 1.593 156 M HN 0.373 nan 8.290 nan 0.000 0.463 157 P HA 0.221 nan 4.420 nan 0.000 0.279 157 P C -1.309 176.173 177.300 0.303 0.000 1.239 157 P CA -0.329 62.940 63.100 0.282 0.000 0.789 157 P CB 0.874 32.697 31.700 0.205 0.000 0.933 158 V N 4.344 124.463 119.914 0.342 0.000 2.409 158 V HA 0.365 4.466 4.120 -0.032 0.000 0.291 158 V C 0.211 176.398 176.094 0.155 0.000 1.020 158 V CA -0.498 61.916 62.300 0.190 0.000 0.848 158 V CB 1.171 33.052 31.823 0.097 0.000 0.990 158 V HN 0.363 nan 8.190 nan 0.000 0.430 159 L N 3.904 125.156 121.223 0.048 0.000 2.362 159 L HA 0.673 4.994 4.340 -0.032 0.000 0.275 159 L C 0.146 176.908 176.870 -0.179 0.000 0.998 159 L CA -0.149 54.650 54.840 -0.069 0.000 0.820 159 L CB 2.381 44.397 42.059 -0.072 0.000 1.270 159 L HN 0.550 nan 8.230 nan 0.000 0.415 160 T N 3.908 118.251 114.554 -0.351 0.000 2.779 160 T HA 0.562 4.892 4.350 -0.032 0.000 0.280 160 T C -0.222 174.302 174.700 -0.294 0.000 0.987 160 T CA -0.435 61.349 62.100 -0.526 0.000 0.966 160 T CB 0.783 68.862 68.868 -1.316 0.000 0.933 160 T HN 0.264 nan 8.240 nan 0.000 0.442 161 L N 3.823 125.000 121.223 -0.077 0.000 2.264 161 L HA 0.421 4.742 4.340 -0.032 0.000 0.289 161 L C -0.691 176.440 176.870 0.435 0.000 1.044 161 L CA -0.737 54.252 54.840 0.248 0.000 0.807 161 L CB 0.558 42.757 42.059 0.232 0.000 1.192 161 L HN 0.684 nan 8.230 nan 0.000 0.425 162 Y N 2.437 122.975 120.300 0.397 0.000 2.558 162 Y HA 0.403 4.933 4.550 -0.034 0.000 0.316 162 Y C 0.600 176.640 175.900 0.233 0.000 0.967 162 Y CA -1.099 57.188 58.100 0.312 0.000 1.126 162 Y CB 1.024 39.732 38.460 0.414 0.000 1.155 162 Y HN 0.530 nan 8.280 nan 0.000 0.628 163 G N 0.958 109.882 108.800 0.208 0.000 3.441 163 G HA2 0.110 4.050 3.960 -0.032 0.000 0.263 163 G HA3 0.110 4.050 3.960 -0.032 0.000 0.263 163 G C -0.061 174.904 174.900 0.109 0.000 1.014 163 G CA -0.145 44.911 45.100 -0.074 0.000 0.833 163 G HN 0.324 nan 8.290 nan 0.000 0.514 164 I N 1.831 122.392 120.570 -0.015 0.000 2.752 164 I HA 0.242 4.393 4.170 -0.032 0.000 0.287 164 I C -2.015 173.953 176.117 -0.249 0.000 1.188 164 I CA -2.459 58.654 61.300 -0.313 0.000 1.427 164 I CB 0.972 38.829 38.000 -0.239 0.000 1.365 164 I HN -0.109 nan 8.210 nan 0.000 0.585 165 P HA 0.024 nan 4.420 nan 0.000 0.266 165 P C -0.805 176.264 177.300 -0.384 0.000 1.195 165 P CA 0.610 63.466 63.100 -0.407 0.000 0.768 165 P CB 0.171 31.586 31.700 -0.476 0.000 0.838 166 H N -0.757 118.258 119.070 -0.092 0.000 2.886 166 H HA -0.177 4.360 4.556 -0.032 0.000 0.294 166 H C 0.505 175.782 175.328 -0.084 0.000 1.246 166 H CA 0.407 56.407 56.048 -0.080 0.000 1.142 166 H CB -1.638 28.081 29.762 -0.071 0.000 1.358 166 H HN 0.546 nan 8.280 nan 0.000 0.406 167 R N 1.289 121.745 120.500 -0.073 0.000 2.570 167 R HA 0.082 4.402 4.340 -0.032 0.000 0.277 167 R C 0.492 176.767 176.300 -0.042 0.000 1.039 167 R CA 0.972 57.002 56.100 -0.116 0.000 1.065 167 R CB 0.305 30.424 30.300 -0.300 0.000 0.964 167 R HN 0.292 nan 8.270 nan 0.000 0.428 168 D N 2.229 122.648 120.400 0.031 0.000 2.983 168 D HA -0.214 4.406 4.640 -0.032 0.000 0.225 168 D C -0.319 176.020 176.300 0.065 0.000 1.174 168 D CA 1.284 55.343 54.000 0.098 0.000 0.831 168 D CB -1.240 39.637 40.800 0.127 0.000 1.104 168 D HN 0.800 nan 8.370 nan 0.000 0.421 169 c N -1.406 117.226 118.600 0.054 0.000 4.056 169 c HA 0.013 4.564 4.570 -0.032 0.000 0.298 169 c C 1.881 175.979 174.090 0.013 0.000 1.456 169 c CA 1.279 57.631 56.329 0.037 0.000 2.037 169 c CB -2.356 40.177 42.510 0.039 0.000 1.295 169 c HN 1.420 nan 8.230 nan 0.000 0.733 170 G N -0.157 108.649 108.800 0.009 0.000 2.198 170 G HA2 -0.199 3.742 3.960 -0.032 0.000 0.260 170 G HA3 -0.199 3.742 3.960 -0.032 0.000 0.260 170 G C 0.354 175.225 174.900 -0.048 0.000 1.025 170 G CA 0.966 46.058 45.100 -0.013 0.000 0.769 170 G HN 1.142 nan 8.290 nan 0.000 0.507 171 S N -1.892 113.777 115.700 -0.052 0.000 2.337 171 S HA 0.574 5.024 4.470 -0.032 0.000 0.258 171 S C 1.688 176.205 174.600 -0.138 0.000 1.178 171 S CA 0.406 58.504 58.200 -0.171 0.000 1.023 171 S CB 0.305 63.444 63.200 -0.103 0.000 1.136 171 S HN 0.306 nan 8.310 nan 0.000 0.458 172 Y N 0.756 121.155 120.300 0.165 0.000 2.256 172 Y HA 0.111 4.642 4.550 -0.033 0.000 0.288 172 Y C 1.925 177.906 175.900 0.137 0.000 1.155 172 Y CA 0.978 59.169 58.100 0.151 0.000 1.203 172 Y CB -0.516 38.062 38.460 0.196 0.000 0.980 172 Y HN 0.485 nan 8.280 nan 0.000 0.530 173 A N 0.161 123.144 122.820 0.272 0.000 2.708 173 A HA 0.315 4.616 4.320 -0.032 0.000 0.293 173 A C 0.684 178.335 177.584 0.113 0.000 1.303 173 A CA -0.131 52.047 52.037 0.236 0.000 0.949 173 A CB -0.955 18.263 19.000 0.364 0.000 1.121 173 A HN 0.234 nan 8.150 nan 0.000 0.542 174 S N -0.701 115.034 115.700 0.058 0.000 2.566 174 S HA 0.583 5.034 4.470 -0.032 0.000 0.280 174 S C 0.722 175.291 174.600 -0.052 0.000 1.343 174 S CA 0.459 58.653 58.200 -0.009 0.000 1.036 174 S CB 1.113 64.307 63.200 -0.010 0.000 0.866 174 S HN 1.876 nan 8.310 nan 0.000 0.526 175 G N 0.526 109.262 108.800 -0.107 0.000 2.384 175 G HA2 0.547 4.487 3.960 -0.032 0.000 0.150 175 G HA3 0.547 4.487 3.960 -0.032 0.000 0.150 175 G C 0.138 174.897 174.900 -0.234 0.000 1.269 175 G CA 0.083 45.084 45.100 -0.165 0.000 1.094 175 G HN 2.544 nan 8.290 nan 0.000 0.467 176 G N -1.334 107.270 108.800 -0.326 0.000 2.758 176 G HA2 0.310 4.251 3.960 -0.032 0.000 0.686 176 G HA3 0.310 4.251 3.960 -0.032 0.000 0.686 176 G C -0.192 174.472 174.900 -0.394 0.000 1.389 176 G CA -0.000 44.889 45.100 -0.352 0.000 0.845 176 G HN 1.416 nan 8.290 nan 0.000 0.572 177 F N 0.889 120.698 119.950 -0.235 0.000 2.496 177 F HA 0.427 4.936 4.527 -0.030 0.000 0.344 177 F C 2.036 177.725 175.800 -0.184 0.000 1.155 177 F CA 0.900 58.786 58.000 -0.190 0.000 1.302 177 F CB 0.884 39.799 39.000 -0.142 0.000 1.159 177 F HN 0.829 nan 8.300 nan 0.000 0.595 178 A N 0.957 123.806 122.820 0.049 0.000 1.898 178 A HA 0.022 4.323 4.320 -0.032 0.000 0.216 178 A C 0.980 178.527 177.584 -0.062 0.000 1.181 178 A CA 1.776 53.791 52.037 -0.037 0.000 0.620 178 A CB -0.768 18.231 19.000 -0.002 0.000 0.819 178 A HN 0.743 nan 8.150 nan 0.000 0.442 179 T N -6.257 108.299 114.554 0.003 0.000 2.887 179 T HA 0.548 4.879 4.350 -0.032 0.000 0.292 179 T C 1.144 175.850 174.700 0.011 0.000 1.087 179 T CA 0.132 62.224 62.100 -0.014 0.000 1.009 179 T CB 1.250 70.121 68.868 0.005 0.000 1.203 179 T HN 0.392 nan 8.240 nan 0.000 0.518 180 G N 0.515 109.313 108.800 -0.004 0.000 2.440 180 G HA2 -0.139 3.802 3.960 -0.032 0.000 0.218 180 G HA3 -0.139 3.802 3.960 -0.032 0.000 0.218 180 G C 1.323 176.225 174.900 0.003 0.000 1.154 180 G CA 1.437 46.544 45.100 0.012 0.000 0.767 180 G HN 0.800 nan 8.290 nan 0.000 0.552 181 T N 1.041 115.581 114.554 -0.024 0.000 2.720 181 T HA -0.108 4.223 4.350 -0.032 0.000 0.268 181 T C 2.020 176.685 174.700 -0.058 0.000 1.037 181 T CA 1.552 63.622 62.100 -0.050 0.000 1.144 181 T CB -0.282 68.566 68.868 -0.032 0.000 0.864 181 T HN 0.202 nan 8.240 nan 0.000 0.444 182 D N -0.095 120.281 120.400 -0.040 0.000 2.097 182 D HA -0.069 4.551 4.640 -0.032 0.000 0.195 182 D C 1.733 177.863 176.300 -0.285 0.000 0.989 182 D CA 0.953 54.884 54.000 -0.115 0.000 0.827 182 D CB -0.473 40.324 40.800 -0.006 0.000 0.966 182 D HN 0.425 nan 8.370 nan 0.000 0.456 183 Y N 1.840 121.982 120.300 -0.264 0.000 2.181 183 Y HA -0.190 4.340 4.550 -0.034 0.000 0.288 183 Y C 2.333 178.205 175.900 -0.047 0.000 1.146 183 Y CA 1.645 59.622 58.100 -0.204 0.000 1.164 183 Y CB 0.019 38.457 38.460 -0.036 0.000 0.982 183 Y HN -0.153 nan 8.280 nan 0.000 0.515 184 R N -0.710 119.750 120.500 -0.067 0.000 2.081 184 R HA -0.120 4.201 4.340 -0.032 0.000 0.235 184 R C 2.593 178.848 176.300 -0.076 0.000 1.131 184 R CA 1.206 57.187 56.100 -0.198 0.000 0.960 184 R CB -0.927 29.062 30.300 -0.519 0.000 0.856 184 R HN 0.483 nan 8.270 nan 0.000 0.436 185 G N 0.032 108.774 108.800 -0.097 0.000 2.408 185 G HA2 -0.274 3.667 3.960 -0.032 0.000 0.217 185 G HA3 -0.274 3.667 3.960 -0.032 0.000 0.217 185 G C 1.028 175.904 174.900 -0.040 0.000 1.150 185 G CA 0.335 45.403 45.100 -0.052 0.000 0.776 185 G HN 0.382 nan 8.290 nan 0.000 0.542 186 W N 1.256 122.319 121.300 -0.395 0.000 2.354 186 W HA -0.053 4.590 4.660 -0.029 0.000 0.315 186 W C 2.295 178.640 176.519 -0.290 0.000 1.206 186 W CA 1.024 58.115 57.345 -0.424 0.000 1.290 186 W CB -0.233 28.748 29.460 -0.799 0.000 1.152 186 W HN 0.060 nan 8.180 nan 0.000 0.489 187 I N 0.843 121.282 120.570 -0.218 0.000 2.208 187 I HA -0.306 3.844 4.170 -0.032 0.000 0.245 187 I C 1.906 177.929 176.117 -0.157 0.000 1.097 187 I CA 1.938 63.089 61.300 -0.247 0.000 1.363 187 I CB -1.648 36.331 38.000 -0.036 0.000 1.051 187 I HN 0.011 nan 8.210 nan 0.000 0.413 188 D N 1.079 121.464 120.400 -0.025 0.000 2.123 188 D HA -0.148 4.473 4.640 -0.032 0.000 0.196 188 D C 2.256 178.504 176.300 -0.086 0.000 0.992 188 D CA 1.677 55.661 54.000 -0.026 0.000 0.833 188 D CB -0.106 40.716 40.800 0.037 0.000 0.954 188 D HN 0.343 nan 8.370 nan 0.000 0.455 189 A N 0.472 123.225 122.820 -0.113 0.000 1.930 189 A HA -0.095 4.206 4.320 -0.032 0.000 0.217 189 A C 2.531 180.007 177.584 -0.180 0.000 1.175 189 A CA 0.985 52.954 52.037 -0.113 0.000 0.627 189 A CB -0.643 18.312 19.000 -0.075 0.000 0.815 189 A HN 0.139 nan 8.150 nan 0.000 0.443 190 V N -0.004 119.715 119.914 -0.326 0.000 2.295 190 V HA -0.268 3.833 4.120 -0.032 0.000 0.246 190 V C 3.068 179.032 176.094 -0.217 0.000 1.049 190 V CA 1.969 64.057 62.300 -0.353 0.000 1.024 190 V CB -1.247 30.236 31.823 -0.567 0.000 0.648 190 V HN 0.606 nan 8.190 nan 0.000 0.447 191 A N 0.698 123.403 122.820 -0.192 0.000 1.940 191 A HA -0.241 4.060 4.320 -0.032 0.000 0.219 191 A C 2.574 180.100 177.584 -0.097 0.000 1.176 191 A CA 2.420 54.375 52.037 -0.136 0.000 0.631 191 A CB -0.817 18.104 19.000 -0.132 0.000 0.814 191 A HN 0.706 nan 8.150 nan 0.000 0.446 192 S N -0.425 115.223 115.700 -0.087 0.000 2.368 192 S HA -0.011 4.440 4.470 -0.032 0.000 0.225 192 S C 2.006 176.576 174.600 -0.050 0.000 1.030 192 S CA 1.551 59.717 58.200 -0.057 0.000 0.999 192 S CB -1.078 62.096 63.200 -0.043 0.000 0.844 192 S HN 0.679 nan 8.310 nan 0.000 0.459 193 G N 1.385 110.149 108.800 -0.061 0.000 2.421 193 G HA2 0.099 4.039 3.960 -0.032 0.000 0.217 193 G HA3 0.099 4.039 3.960 -0.032 0.000 0.217 193 G C 1.472 176.348 174.900 -0.039 0.000 1.143 193 G CA 0.607 45.682 45.100 -0.041 0.000 0.784 193 G HN 0.503 nan 8.290 nan 0.000 0.541 194 L N 0.417 121.605 121.223 -0.058 0.000 2.093 194 L HA 0.098 4.419 4.340 -0.032 0.000 0.208 194 L C 2.490 179.335 176.870 -0.042 0.000 1.085 194 L CA 0.706 55.517 54.840 -0.049 0.000 0.755 194 L CB -0.876 41.144 42.059 -0.065 0.000 0.904 194 L HN 0.436 nan 8.230 nan 0.000 0.435 195 G N -0.165 108.608 108.800 -0.045 0.000 2.660 195 G HA2 -0.397 3.544 3.960 -0.032 0.000 0.321 195 G HA3 -0.397 3.544 3.960 -0.032 0.000 0.321 195 G C 0.650 175.526 174.900 -0.040 0.000 1.246 195 G CA 0.501 45.578 45.100 -0.039 0.000 1.000 195 G HN 0.297 nan 8.290 nan 0.000 0.550 196 S N 0.805 116.484 115.700 -0.036 0.000 2.601 196 S HA 0.506 4.957 4.470 -0.032 0.000 0.244 196 S C 0.712 175.291 174.600 -0.035 0.000 1.001 196 S CA 0.701 58.880 58.200 -0.036 0.000 0.984 196 S CB 0.194 63.374 63.200 -0.033 0.000 0.842 196 S HN 1.353 nan 8.310 nan 0.000 0.474 197 S N 2.214 117.893 115.700 -0.034 0.000 2.584 197 S HA 0.485 4.936 4.470 -0.032 0.000 0.273 197 S C -3.067 171.516 174.600 -0.028 0.000 1.311 197 S CA -1.438 56.742 58.200 -0.034 0.000 1.034 197 S CB 0.404 63.582 63.200 -0.036 0.000 0.939 197 S HN -0.038 nan 8.310 nan 0.000 0.513 198 P HA 0.456 nan 4.420 nan 0.000 0.268 198 P C -0.921 176.383 177.300 0.007 0.000 1.204 198 P CA 0.051 63.143 63.100 -0.014 0.000 0.768 198 P CB 0.646 32.333 31.700 -0.022 0.000 0.842 199 A N 2.190 125.027 122.820 0.029 0.000 2.605 199 A HA 0.637 4.937 4.320 -0.032 0.000 0.294 199 A C -0.982 176.656 177.584 0.090 0.000 1.062 199 A CA -0.431 51.645 52.037 0.064 0.000 0.682 199 A CB 0.934 19.961 19.000 0.044 0.000 1.278 199 A HN 0.337 nan 8.150 nan 0.000 0.410 200 T N 2.693 117.328 114.554 0.135 0.000 2.771 200 T HA 0.576 4.906 4.350 -0.032 0.000 0.281 200 T C -0.410 174.362 174.700 0.120 0.000 0.982 200 T CA -0.185 62.017 62.100 0.171 0.000 0.978 200 T CB 0.380 69.370 68.868 0.203 0.000 0.930 200 T HN 0.416 nan 8.240 nan 0.000 0.447 201 I N 4.612 125.256 120.570 0.123 0.000 2.389 201 I HA 0.382 4.533 4.170 -0.032 0.000 0.288 201 I C -0.408 175.769 176.117 0.099 0.000 0.999 201 I CA -1.089 60.244 61.300 0.054 0.000 1.129 201 I CB 1.523 39.524 38.000 0.002 0.000 1.288 201 I HN 0.475 nan 8.210 nan 0.000 0.444 202 I N 7.064 127.643 120.570 0.016 0.000 2.297 202 I HA 0.219 4.369 4.170 -0.032 0.000 0.291 202 I C 0.247 176.360 176.117 -0.005 0.000 1.033 202 I CA -0.660 60.643 61.300 0.006 0.000 1.253 202 I CB 1.154 39.082 38.000 -0.120 0.000 1.396 202 I HN 0.100 nan 8.210 nan 0.000 0.476 203 V N 7.160 127.116 119.914 0.070 0.000 2.334 203 V HA 0.223 4.323 4.120 -0.032 0.000 0.267 203 V C 0.282 176.458 176.094 0.137 0.000 1.040 203 V CA -0.530 61.837 62.300 0.111 0.000 0.866 203 V CB -0.148 31.749 31.823 0.123 0.000 1.019 203 V HN 0.753 nan 8.190 nan 0.000 0.468 204 E N 3.012 123.321 120.200 0.182 0.000 2.414 204 E HA -0.152 4.179 4.350 -0.032 0.000 0.173 204 E C -2.347 174.376 176.600 0.206 0.000 1.551 204 E CA -0.028 56.524 56.400 0.253 0.000 0.661 204 E CB -1.111 28.728 29.700 0.232 0.000 1.108 204 E HN 0.541 nan 8.360 nan 0.000 0.365 205 P HA -0.094 nan 4.420 nan 0.000 0.259 205 P C 0.400 177.850 177.300 0.249 0.000 1.163 205 P CA 0.861 64.052 63.100 0.151 0.000 0.760 205 P CB 0.429 32.160 31.700 0.051 0.000 0.762 206 D N 1.068 121.541 120.400 0.120 0.000 2.653 206 D HA -0.243 4.378 4.640 -0.032 0.000 0.184 206 D C 1.294 177.555 176.300 -0.064 0.000 0.993 206 D CA 1.856 55.863 54.000 0.012 0.000 1.027 206 D CB -1.687 39.285 40.800 0.287 0.000 1.089 206 D HN 0.428 nan 8.370 nan 0.000 0.447 207 A N 0.713 123.553 122.820 0.033 0.000 1.858 207 A HA -0.062 4.239 4.320 -0.032 0.000 0.216 207 A C 2.475 180.057 177.584 -0.004 0.000 1.190 207 A CA 1.804 53.862 52.037 0.034 0.000 0.617 207 A CB -0.686 18.355 19.000 0.068 0.000 0.827 207 A HN 0.346 nan 8.150 nan 0.000 0.443 208 L N -0.946 120.262 121.223 -0.026 0.000 2.093 208 L HA -0.158 4.163 4.340 -0.032 0.000 0.208 208 L C 3.036 179.807 176.870 -0.165 0.000 1.085 208 L CA 1.030 55.864 54.840 -0.010 0.000 0.755 208 L CB -0.580 41.427 42.059 -0.087 0.000 0.904 208 L HN 0.456 nan 8.230 nan 0.000 0.435 209 A N -0.750 121.798 122.820 -0.452 0.000 1.968 209 A HA -0.166 4.135 4.320 -0.032 0.000 0.217 209 A C 2.198 179.379 177.584 -0.672 0.000 1.169 209 A CA 1.316 52.806 52.037 -0.911 0.000 0.638 209 A CB -0.314 17.519 19.000 -1.945 0.000 0.812 209 A HN 0.398 nan 8.150 nan 0.000 0.446 210 M N -0.879 118.523 119.600 -0.331 0.000 2.428 210 M HA 0.213 4.673 4.480 -0.032 0.000 0.239 210 M C 1.803 178.125 176.300 0.036 0.000 1.121 210 M CA 0.537 55.866 55.300 0.049 0.000 1.019 210 M CB 0.068 32.778 32.600 0.184 0.000 1.485 210 M HN 0.444 nan 8.290 nan 0.000 0.484 211 A N 0.242 123.058 122.820 -0.007 0.000 2.076 211 A HA -0.165 4.136 4.320 -0.032 0.000 0.220 211 A C 1.369 178.926 177.584 -0.045 0.000 1.160 211 A CA 1.623 53.646 52.037 -0.024 0.000 0.653 211 A CB -0.494 18.511 19.000 0.009 0.000 0.801 211 A HN 0.449 nan 8.150 nan 0.000 0.455 212 D N -0.570 119.832 120.400 0.003 0.000 2.371 212 D HA -0.079 4.542 4.640 -0.032 0.000 0.221 212 D C 1.875 178.174 176.300 -0.001 0.000 0.986 212 D CA 1.123 55.123 54.000 -0.000 0.000 0.899 212 D CB -0.567 40.254 40.800 0.035 0.000 0.902 212 D HN 0.720 nan 8.370 nan 0.000 0.530 213 c N -0.412 118.193 118.600 0.010 0.000 2.472 213 c HA 0.183 4.734 4.570 -0.032 0.000 0.278 213 c C 1.165 175.226 174.090 -0.049 0.000 1.447 213 c CA -0.653 55.675 56.329 -0.002 0.000 1.773 213 c CB -1.418 41.105 42.510 0.022 0.000 1.793 213 c HN 0.026 nan 8.230 nan 0.000 0.544 214 L N 2.385 123.561 121.223 -0.078 0.000 2.439 214 L HA 0.373 4.693 4.340 -0.032 0.000 0.259 214 L C 1.038 177.835 176.870 -0.121 0.000 1.129 214 L CA -0.079 54.684 54.840 -0.129 0.000 0.803 214 L CB 0.878 42.841 42.059 -0.159 0.000 1.161 214 L HN 0.356 nan 8.230 nan 0.000 0.462 215 S N 0.434 116.054 115.700 -0.134 0.000 2.576 215 S HA 0.133 4.583 4.470 -0.032 0.000 0.272 215 S C -1.867 172.662 174.600 -0.118 0.000 1.352 215 S CA -0.926 57.209 58.200 -0.108 0.000 1.021 215 S CB 0.706 63.844 63.200 -0.104 0.000 0.887 215 S HN 0.422 nan 8.310 nan 0.000 0.542 216 P HA -0.127 nan 4.420 nan 0.000 0.216 216 P C 0.789 178.020 177.300 -0.116 0.000 1.154 216 P CA 1.441 64.481 63.100 -0.100 0.000 0.865 216 P CB -0.053 31.610 31.700 -0.063 0.000 0.789 217 D N -0.981 119.364 120.400 -0.093 0.000 2.117 217 D HA -0.147 4.474 4.640 -0.032 0.000 0.198 217 D C 2.117 178.356 176.300 -0.102 0.000 0.982 217 D CA 1.123 55.074 54.000 -0.082 0.000 0.828 217 D CB -0.589 40.176 40.800 -0.059 0.000 0.967 217 D HN 0.294 nan 8.370 nan 0.000 0.464 218 Q N -0.013 119.715 119.800 -0.120 0.000 2.167 218 Q HA -0.082 4.238 4.340 -0.032 0.000 0.202 218 Q C 2.225 178.117 176.000 -0.179 0.000 0.970 218 Q CA 0.714 56.443 55.803 -0.124 0.000 0.855 218 Q CB 0.099 28.731 28.738 -0.177 0.000 0.911 218 Q HN 0.167 nan 8.270 nan 0.000 0.438 219 R N 0.473 120.817 120.500 -0.259 0.000 2.075 219 R HA -0.199 4.121 4.340 -0.032 0.000 0.232 219 R C 2.207 178.105 176.300 -0.669 0.000 1.126 219 R CA 1.508 57.322 56.100 -0.477 0.000 0.963 219 R CB 0.046 30.072 30.300 -0.458 0.000 0.858 219 R HN 0.093 nan 8.270 nan 0.000 0.435 220 Q N 1.050 120.617 119.800 -0.388 0.000 2.084 220 Q HA -0.205 4.116 4.340 -0.032 0.000 0.202 220 Q C 1.752 177.681 176.000 -0.118 0.000 0.978 220 Q CA 2.193 57.859 55.803 -0.228 0.000 0.844 220 Q CB -0.132 28.555 28.738 -0.086 0.000 0.898 220 Q HN 0.467 nan 8.270 nan 0.000 0.426 221 E N -0.296 119.841 120.200 -0.106 0.000 2.077 221 E HA -0.275 4.055 4.350 -0.032 0.000 0.193 221 E C 2.088 178.666 176.600 -0.037 0.000 0.989 221 E CA 1.125 57.499 56.400 -0.044 0.000 0.800 221 E CB -0.169 29.512 29.700 -0.032 0.000 0.746 221 E HN 0.343 nan 8.360 nan 0.000 0.452 222 R N -0.557 119.882 120.500 -0.102 0.000 2.083 222 R HA -0.167 4.154 4.340 -0.032 0.000 0.237 222 R C 2.208 178.571 176.300 0.105 0.000 1.137 222 R CA 1.863 57.928 56.100 -0.059 0.000 0.951 222 R CB -0.342 29.892 30.300 -0.110 0.000 0.851 222 R HN 0.178 nan 8.270 nan 0.000 0.434 223 F N 1.704 121.647 119.950 -0.013 0.000 2.126 223 F HA -0.183 4.325 4.527 -0.031 0.000 0.299 223 F C 2.066 177.882 175.800 0.026 0.000 1.096 223 F CA 1.174 59.174 58.000 -0.001 0.000 1.255 223 F CB -0.976 38.020 39.000 -0.008 0.000 0.997 223 F HN 0.114 nan 8.300 nan 0.000 0.479 224 D N 0.140 120.670 120.400 0.217 0.000 2.144 224 D HA -0.136 4.485 4.640 -0.032 0.000 0.199 224 D C 2.537 178.947 176.300 0.184 0.000 0.984 224 D CA 0.924 55.021 54.000 0.161 0.000 0.834 224 D CB -0.475 40.387 40.800 0.102 0.000 0.955 224 D HN 0.236 nan 8.370 nan 0.000 0.465 225 L N 0.110 121.425 121.223 0.153 0.000 2.109 225 L HA -0.092 4.229 4.340 -0.032 0.000 0.207 225 L C 2.443 179.493 176.870 0.300 0.000 1.086 225 L CA 0.456 55.420 54.840 0.207 0.000 0.760 225 L CB -0.233 41.826 42.059 -0.000 0.000 0.910 225 L HN -0.062 nan 8.230 nan 0.000 0.437 226 V N -0.112 119.925 119.914 0.205 0.000 2.427 226 V HA -0.248 3.853 4.120 -0.032 0.000 0.248 226 V C 2.629 178.829 176.094 0.177 0.000 1.051 226 V CA 1.640 64.060 62.300 0.201 0.000 1.048 226 V CB -0.664 31.246 31.823 0.146 0.000 0.666 226 V HN 0.445 nan 8.190 nan 0.000 0.456 227 R N -0.968 119.630 120.500 0.163 0.000 2.092 227 R HA -0.207 4.114 4.340 -0.032 0.000 0.231 227 R C 2.359 178.741 176.300 0.137 0.000 1.119 227 R CA 1.761 57.932 56.100 0.118 0.000 0.970 227 R CB -0.391 29.971 30.300 0.103 0.000 0.864 227 R HN 0.572 nan 8.270 nan 0.000 0.440 228 Y N 0.672 121.030 120.300 0.098 0.000 2.224 228 Y HA -0.149 4.391 4.550 -0.015 0.000 0.289 228 Y C 2.096 178.044 175.900 0.081 0.000 1.146 228 Y CA 1.505 59.658 58.100 0.089 0.000 1.182 228 Y CB -0.345 38.187 38.460 0.120 0.000 0.983 228 Y HN 0.195 nan 8.280 nan 0.000 0.524 229 A N -0.734 122.207 122.820 0.202 0.000 1.877 229 A HA -0.162 4.139 4.320 -0.032 0.000 0.216 229 A C 2.346 179.911 177.584 -0.031 0.000 1.186 229 A CA 2.061 54.157 52.037 0.098 0.000 0.620 229 A CB -1.326 17.816 19.000 0.237 0.000 0.822 229 A HN 0.308 nan 8.150 nan 0.000 0.443 230 V N 0.698 120.611 119.914 -0.001 0.000 2.295 230 V HA -0.254 3.846 4.120 -0.032 0.000 0.246 230 V C 2.174 178.213 176.094 -0.091 0.000 1.049 230 V CA 2.379 64.657 62.300 -0.036 0.000 1.024 230 V CB -0.830 30.986 31.823 -0.012 0.000 0.648 230 V HN 0.499 nan 8.190 nan 0.000 0.447 231 D N -0.303 120.025 120.400 -0.121 0.000 2.144 231 D HA -0.106 4.514 4.640 -0.032 0.000 0.200 231 D C 2.262 178.433 176.300 -0.214 0.000 0.978 231 D CA 1.766 55.677 54.000 -0.149 0.000 0.833 231 D CB -0.224 40.486 40.800 -0.151 0.000 0.961 231 D HN 0.441 nan 8.370 nan 0.000 0.470 232 T N 0.526 114.886 114.554 -0.323 0.000 2.894 232 T HA 0.083 4.414 4.350 -0.032 0.000 0.258 232 T C 2.240 176.820 174.700 -0.200 0.000 1.043 232 T CA 0.198 62.102 62.100 -0.326 0.000 1.141 232 T CB -0.054 68.499 68.868 -0.525 0.000 0.873 232 T HN 0.068 nan 8.240 nan 0.000 0.449 233 L N 1.732 122.853 121.223 -0.170 0.000 2.141 233 L HA -0.058 4.263 4.340 -0.032 0.000 0.209 233 L C 2.843 179.650 176.870 -0.106 0.000 1.094 233 L CA 1.372 56.134 54.840 -0.129 0.000 0.763 233 L CB -1.060 40.934 42.059 -0.108 0.000 0.908 233 L HN 0.421 nan 8.230 nan 0.000 0.437 234 T N -3.510 110.981 114.554 -0.104 0.000 3.163 234 T HA -0.056 4.274 4.350 -0.032 0.000 0.260 234 T C 1.767 176.418 174.700 -0.082 0.000 1.156 234 T CA 0.203 62.250 62.100 -0.089 0.000 1.072 234 T CB -0.236 68.581 68.868 -0.084 0.000 0.937 234 T HN 0.281 nan 8.240 nan 0.000 0.528 235 R N 1.267 121.714 120.500 -0.089 0.000 2.237 235 R HA 0.030 4.351 4.340 -0.032 0.000 0.219 235 R C 0.468 176.729 176.300 -0.066 0.000 1.080 235 R CA 0.705 56.759 56.100 -0.076 0.000 0.995 235 R CB -0.304 29.947 30.300 -0.082 0.000 0.875 235 R HN 0.409 nan 8.270 nan 0.000 0.462 236 D N 1.717 122.076 120.400 -0.068 0.000 2.344 236 D HA 0.028 4.649 4.640 -0.032 0.000 0.253 236 D C -1.399 174.868 176.300 -0.055 0.000 1.255 236 D CA -2.363 51.602 54.000 -0.058 0.000 0.894 236 D CB 1.289 42.054 40.800 -0.059 0.000 1.067 236 D HN -0.039 nan 8.370 nan 0.000 0.492 237 P HA -0.127 nan 4.420 nan 0.000 0.219 237 P C 0.664 177.936 177.300 -0.047 0.000 1.146 237 P CA 0.731 63.802 63.100 -0.048 0.000 0.808 237 P CB 0.226 31.901 31.700 -0.042 0.000 0.779 238 A N -0.803 121.992 122.820 -0.042 0.000 2.275 238 A HA 0.471 4.772 4.320 -0.032 0.000 0.212 238 A C 1.244 178.812 177.584 -0.027 0.000 1.201 238 A CA 0.066 52.082 52.037 -0.034 0.000 0.843 238 A CB -0.561 18.420 19.000 -0.031 0.000 0.873 238 A HN 0.233 nan 8.150 nan 0.000 0.492 239 A N 0.573 123.371 122.820 -0.037 0.000 2.309 239 A HA 0.626 4.927 4.320 -0.032 0.000 0.290 239 A C 0.444 177.998 177.584 -0.050 0.000 1.206 239 A CA 0.237 52.255 52.037 -0.032 0.000 0.850 239 A CB -0.010 18.962 19.000 -0.047 0.000 1.118 239 A HN 1.050 nan 8.150 nan 0.000 0.523 240 A N 3.319 126.126 122.820 -0.020 0.000 2.316 240 A HA 0.559 4.860 4.320 -0.032 0.000 0.311 240 A C -0.276 177.226 177.584 -0.137 0.000 1.339 240 A CA -0.310 51.679 52.037 -0.079 0.000 0.960 240 A CB -0.009 19.041 19.000 0.082 0.000 1.152 240 A HN 0.859 nan 8.150 nan 0.000 0.547 241 V N 3.598 123.326 119.914 -0.309 0.000 2.398 241 V HA 0.377 4.478 4.120 -0.032 0.000 0.286 241 V C -1.094 174.749 176.094 -0.419 0.000 1.026 241 V CA -0.276 61.892 62.300 -0.220 0.000 0.868 241 V CB 0.719 32.466 31.823 -0.126 0.000 0.982 241 V HN 0.734 nan 8.190 nan 0.000 0.443 242 Y N 2.926 123.242 120.300 0.026 0.000 2.332 242 Y HA 0.509 5.046 4.550 -0.021 0.000 0.326 242 Y C 0.023 175.968 175.900 0.075 0.000 0.978 242 Y CA -0.854 57.279 58.100 0.054 0.000 1.205 242 Y CB 1.916 40.394 38.460 0.029 0.000 1.131 242 Y HN 0.386 nan 8.280 nan 0.000 0.462 243 V N 2.971 123.012 119.914 0.212 0.000 2.530 243 V HA 0.023 4.124 4.120 -0.032 0.000 0.282 243 V C 0.139 176.354 176.094 0.202 0.000 1.048 243 V CA -0.519 61.880 62.300 0.164 0.000 0.997 243 V CB 1.075 32.965 31.823 0.111 0.000 0.987 243 V HN 0.702 nan 8.190 nan 0.000 0.477 244 D N 3.661 124.148 120.400 0.145 0.000 2.424 244 D HA 0.419 5.040 4.640 -0.032 0.000 0.244 244 D C 0.441 176.793 176.300 0.086 0.000 1.134 244 D CA 0.450 54.531 54.000 0.135 0.000 0.881 244 D CB 1.247 42.103 40.800 0.094 0.000 1.191 244 D HN 0.703 nan 8.370 nan 0.000 0.445 245 A N 3.009 125.901 122.820 0.119 0.000 2.610 245 A HA 0.630 4.931 4.320 -0.032 0.000 0.291 245 A C 1.056 178.644 177.584 0.007 0.000 1.116 245 A CA 0.416 52.467 52.037 0.023 0.000 0.963 245 A CB -0.350 18.674 19.000 0.040 0.000 1.220 245 A HN 0.950 nan 8.150 nan 0.000 0.530 246 G N 0.602 109.386 108.800 -0.027 0.000 2.531 246 G HA2 -0.031 3.910 3.960 -0.032 0.000 0.274 246 G HA3 -0.031 3.910 3.960 -0.032 0.000 0.274 246 G C -0.055 174.966 174.900 0.201 0.000 1.159 246 G CA 0.948 46.021 45.100 -0.046 0.000 0.969 246 G HN 2.301 nan 8.290 nan 0.000 0.554 247 H N -3.037 116.162 119.070 0.215 0.000 2.902 247 H HA 0.686 5.223 4.556 -0.032 0.000 0.297 247 H C 1.099 176.081 175.328 -0.577 0.000 1.406 247 H CA 0.731 56.775 56.048 -0.007 0.000 1.134 247 H CB 0.544 30.384 29.762 0.130 0.000 1.833 247 H HN 1.137 nan 8.280 nan 0.000 0.527 248 S N -0.642 114.664 115.700 -0.656 0.000 2.547 248 S HA -0.018 4.433 4.470 -0.032 0.000 0.235 248 S C 0.769 175.000 174.600 -0.616 0.000 0.980 248 S CA 0.635 58.103 58.200 -1.219 0.000 0.941 248 S CB -0.326 62.469 63.200 -0.676 0.000 0.763 248 S HN 0.631 nan 8.310 nan 0.000 0.532 249 R N -1.010 119.345 120.500 -0.241 0.000 2.652 249 R HA 0.250 4.571 4.340 -0.032 0.000 0.372 249 R C 0.033 176.391 176.300 0.097 0.000 1.104 249 R CA -0.325 55.709 56.100 -0.109 0.000 1.072 249 R CB 0.157 30.300 30.300 -0.263 0.000 1.367 249 R HN 0.439 nan 8.270 nan 0.000 0.577 250 W N 0.880 121.998 121.300 -0.303 0.000 4.410 250 W HA 0.340 4.983 4.660 -0.029 0.000 0.577 250 W C 0.083 176.510 176.519 -0.155 0.000 3.396 250 W CA -0.126 57.021 57.345 -0.329 0.000 1.176 250 W CB -0.514 28.517 29.460 -0.715 0.000 2.173 250 W HN -0.189 nan 8.180 nan 0.000 0.374 251 L N 2.430 123.740 121.223 0.145 0.000 2.466 251 L HA 0.176 4.497 4.340 -0.032 0.000 0.257 251 L C 1.120 178.071 176.870 0.134 0.000 1.189 251 L CA -0.324 54.565 54.840 0.081 0.000 0.813 251 L CB 0.514 42.545 42.059 -0.046 0.000 1.118 251 L HN 0.163 nan 8.230 nan 0.000 0.471 252 S N 0.529 116.291 115.700 0.103 0.000 2.584 252 S HA 0.180 4.630 4.470 -0.032 0.000 0.270 252 S C 1.058 175.713 174.600 0.091 0.000 1.346 252 S CA -0.135 58.142 58.200 0.127 0.000 1.018 252 S CB 1.356 64.589 63.200 0.055 0.000 0.899 252 S HN 0.701 nan 8.310 nan 0.000 0.542 253 A N 1.538 124.389 122.820 0.052 0.000 1.908 253 A HA -0.099 4.201 4.320 -0.032 0.000 0.218 253 A C 2.023 179.480 177.584 -0.212 0.000 1.181 253 A CA 1.922 53.802 52.037 -0.261 0.000 0.627 253 A CB -1.202 17.620 19.000 -0.297 0.000 0.818 253 A HN 0.919 nan 8.150 nan 0.000 0.445 254 E N 0.066 120.197 120.200 -0.115 0.000 2.051 254 E HA -0.008 4.323 4.350 -0.032 0.000 0.192 254 E C 2.261 178.795 176.600 -0.110 0.000 0.991 254 E CA 1.376 57.711 56.400 -0.107 0.000 0.799 254 E CB -0.483 29.180 29.700 -0.063 0.000 0.748 254 E HN 0.583 nan 8.360 nan 0.000 0.449 255 A N 0.516 123.287 122.820 -0.081 0.000 1.873 255 A HA -0.163 4.138 4.320 -0.032 0.000 0.215 255 A C 2.152 179.659 177.584 -0.129 0.000 1.186 255 A CA 1.770 53.761 52.037 -0.077 0.000 0.616 255 A CB -0.446 18.533 19.000 -0.036 0.000 0.823 255 A HN 0.242 nan 8.150 nan 0.000 0.442 256 M N 0.264 119.771 119.600 -0.155 0.000 2.175 256 M HA 0.080 4.541 4.480 -0.032 0.000 0.264 256 M C 2.099 178.226 176.300 -0.288 0.000 1.063 256 M CA 1.414 56.580 55.300 -0.224 0.000 1.119 256 M CB -0.817 31.646 32.600 -0.228 0.000 1.377 256 M HN 0.364 nan 8.290 nan 0.000 0.415 257 A N -0.247 122.394 122.820 -0.297 0.000 1.933 257 A HA 0.047 4.347 4.320 -0.032 0.000 0.218 257 A C 2.375 179.822 177.584 -0.228 0.000 1.175 257 A CA 1.979 53.838 52.037 -0.296 0.000 0.628 257 A CB -1.369 17.469 19.000 -0.269 0.000 0.814 257 A HN 0.617 nan 8.150 nan 0.000 0.444 258 A N -0.119 122.586 122.820 -0.193 0.000 1.902 258 A HA -0.182 4.119 4.320 -0.032 0.000 0.217 258 A C 2.264 179.707 177.584 -0.236 0.000 1.181 258 A CA 1.608 53.542 52.037 -0.171 0.000 0.623 258 A CB -0.447 18.477 19.000 -0.128 0.000 0.818 258 A HN 0.567 nan 8.150 nan 0.000 0.443 259 R N -0.674 119.647 120.500 -0.299 0.000 2.075 259 R HA 0.018 4.338 4.340 -0.032 0.000 0.232 259 R C 2.096 178.160 176.300 -0.392 0.000 1.126 259 R CA 1.331 57.145 56.100 -0.476 0.000 0.963 259 R CB -0.527 29.488 30.300 -0.476 0.000 0.858 259 R HN 0.494 nan 8.270 nan 0.000 0.435 260 L N 0.993 122.044 121.223 -0.287 0.000 2.042 260 L HA -0.222 4.099 4.340 -0.032 0.000 0.210 260 L C 1.946 178.714 176.870 -0.170 0.000 1.076 260 L CA 1.128 55.841 54.840 -0.211 0.000 0.749 260 L CB -0.505 41.420 42.059 -0.223 0.000 0.893 260 L HN 0.223 nan 8.230 nan 0.000 0.432 261 N N -0.263 118.333 118.700 -0.173 0.000 2.244 261 N HA -0.198 4.523 4.740 -0.032 0.000 0.183 261 N C 1.510 176.947 175.510 -0.122 0.000 1.016 261 N CA 1.365 54.340 53.050 -0.126 0.000 0.866 261 N CB -0.290 38.128 38.487 -0.115 0.000 0.980 261 N HN 0.327 nan 8.380 nan 0.000 0.430 262 D N 0.360 120.655 120.400 -0.175 0.000 2.178 262 D HA -0.095 4.526 4.640 -0.032 0.000 0.202 262 D C 1.587 177.812 176.300 -0.125 0.000 0.974 262 D CA 0.545 54.447 54.000 -0.163 0.000 0.841 262 D CB 0.240 40.879 40.800 -0.269 0.000 0.953 262 D HN 0.147 nan 8.370 nan 0.000 0.478 263 V N -3.342 116.485 119.914 -0.145 0.000 3.596 263 V HA 0.489 4.590 4.120 -0.032 0.000 0.289 263 V C 1.217 177.290 176.094 -0.035 0.000 1.336 263 V CA 0.385 62.643 62.300 -0.070 0.000 1.137 263 V CB -0.332 31.448 31.823 -0.071 0.000 0.966 263 V HN 0.233 nan 8.190 nan 0.000 0.428 264 G N 0.059 108.832 108.800 -0.045 0.000 2.204 264 G HA2 -0.242 3.698 3.960 -0.032 0.000 0.244 264 G HA3 -0.242 3.698 3.960 -0.032 0.000 0.244 264 G C 0.521 175.404 174.900 -0.027 0.000 1.062 264 G CA 0.513 45.594 45.100 -0.031 0.000 0.798 264 G HN 1.002 nan 8.290 nan 0.000 0.496 265 V N 0.443 120.339 119.914 -0.030 0.000 2.546 265 V HA -0.046 4.054 4.120 -0.032 0.000 0.254 265 V C 2.734 178.830 176.094 0.003 0.000 1.076 265 V CA 3.252 65.551 62.300 -0.003 0.000 1.087 265 V CB -0.552 31.275 31.823 0.006 0.000 0.674 265 V HN 1.071 nan 8.190 nan 0.000 0.470 266 G N -0.774 108.021 108.800 -0.009 0.000 2.479 266 G HA2 -0.302 3.639 3.960 -0.032 0.000 0.220 266 G HA3 -0.302 3.639 3.960 -0.032 0.000 0.220 266 G C 1.677 176.569 174.900 -0.014 0.000 1.115 266 G CA 0.854 45.951 45.100 -0.005 0.000 0.757 266 G HN 0.555 nan 8.290 nan 0.000 0.560 267 R N 0.118 120.603 120.500 -0.025 0.000 2.173 267 R HA 0.406 4.727 4.340 -0.032 0.000 0.208 267 R C 1.558 177.826 176.300 -0.054 0.000 1.035 267 R CA 0.658 56.736 56.100 -0.037 0.000 1.004 267 R CB -0.074 30.202 30.300 -0.039 0.000 0.917 267 R HN 0.308 nan 8.270 nan 0.000 0.462 268 A N 0.299 123.086 122.820 -0.056 0.000 0.000 268 A HA 0.213 4.513 4.320 -0.032 0.000 0.000 268 A C 0.786 178.295 177.584 -0.126 0.000 0.000 268 A CA -0.451 51.526 52.037 -0.099 0.000 0.000 268 A CB 0.567 19.517 19.000 -0.084 0.000 0.000 268 A HN 0.261 nan 8.150 nan 0.000 0.000 269 R N -1.326 119.016 120.500 -0.263 0.000 2.093 269 R HA 0.257 4.578 4.340 -0.032 0.000 0.224 269 R C 0.946 177.159 176.300 -0.146 0.000 1.101 269 R CA 2.058 57.980 56.100 -0.295 0.000 0.979 269 R CB -0.370 29.571 30.300 -0.599 0.000 0.877 269 R HN 1.271 nan 8.270 nan 0.000 0.441 270 G N -2.271 106.435 108.800 -0.156 0.000 2.579 270 G HA2 0.185 4.126 3.960 -0.032 0.000 0.080 270 G HA3 0.185 4.126 3.960 -0.032 0.000 0.080 270 G C -1.229 173.858 174.900 0.311 0.000 1.040 270 G CA -0.261 44.935 45.100 0.159 0.000 1.118 270 G HN 0.285 nan 8.290 nan 0.000 0.485 271 F N 0.308 120.466 119.950 0.348 0.000 2.643 271 F HA 0.892 5.397 4.527 -0.036 0.000 0.314 271 F C -0.112 175.902 175.800 0.357 0.000 1.096 271 F CA -0.835 57.339 58.000 0.289 0.000 0.953 271 F CB 1.675 40.757 39.000 0.136 0.000 1.345 271 F HN 0.840 nan 8.300 nan 0.000 0.468 272 S N 1.415 117.344 115.700 0.383 0.000 2.568 272 S HA 0.894 5.345 4.470 -0.032 0.000 0.302 272 S C -1.246 173.543 174.600 0.315 0.000 1.082 272 S CA -0.745 57.591 58.200 0.227 0.000 1.009 272 S CB 1.780 65.056 63.200 0.128 0.000 1.069 272 S HN 0.807 nan 8.310 nan 0.000 0.500 273 L N 1.455 122.840 121.223 0.270 0.000 2.371 273 L HA 0.585 4.906 4.340 -0.032 0.000 0.262 273 L C 0.221 177.237 176.870 0.245 0.000 1.006 273 L CA -0.841 54.181 54.840 0.304 0.000 0.818 273 L CB 1.584 43.846 42.059 0.338 0.000 1.354 273 L HN 0.939 nan 8.230 nan 0.000 0.415 274 N N 0.108 118.982 118.700 0.289 0.000 2.850 274 N HA -0.159 4.561 4.740 -0.032 0.000 0.249 274 N C -0.558 175.037 175.510 0.143 0.000 1.060 274 N CA 0.515 53.710 53.050 0.243 0.000 0.825 274 N CB -0.748 37.840 38.487 0.169 0.000 1.132 274 N HN 0.277 nan 8.380 nan 0.000 0.564 275 V N 0.939 120.959 119.914 0.176 0.000 2.493 275 V HA 0.081 4.182 4.120 -0.032 0.000 0.292 275 V C 1.336 177.493 176.094 0.105 0.000 1.016 275 V CA 1.047 63.429 62.300 0.138 0.000 1.097 275 V CB 0.823 32.738 31.823 0.154 0.000 0.947 275 V HN 0.473 nan 8.190 nan 0.000 0.479 276 S N 2.456 118.158 115.700 0.002 0.000 3.270 276 S HA -0.188 4.262 4.470 -0.032 0.000 0.293 276 S C 0.487 174.864 174.600 -0.370 0.000 1.278 276 S CA 1.407 59.531 58.200 -0.126 0.000 1.038 276 S CB -1.202 62.002 63.200 0.006 0.000 1.218 276 S HN 0.895 nan 8.310 nan 0.000 0.659 277 N N -0.960 117.488 118.700 -0.419 0.000 2.989 277 N HA 0.744 5.465 4.740 -0.032 0.000 0.338 277 N C -0.080 174.838 175.510 -0.986 0.000 1.369 277 N CA -0.492 52.170 53.050 -0.646 0.000 0.794 277 N CB 0.622 39.030 38.487 -0.132 0.000 1.359 277 N HN 0.100 nan 8.380 nan 0.000 0.609 278 F N -0.995 118.758 119.950 -0.327 0.000 2.915 278 F HA 0.350 4.858 4.527 -0.031 0.000 0.347 278 F C -0.424 175.154 175.800 -0.371 0.000 1.104 278 F CA -0.487 57.309 58.000 -0.339 0.000 1.126 278 F CB -0.070 38.710 39.000 -0.365 0.000 1.145 278 F HN 0.228 nan 8.300 nan 0.000 0.541 279 Y N 1.808 122.111 120.300 0.006 0.000 2.480 279 Y HA 0.246 4.777 4.550 -0.032 0.000 0.338 279 Y C 1.544 177.438 175.900 -0.009 0.000 1.220 279 Y CA -0.853 57.237 58.100 -0.018 0.000 1.430 279 Y CB 0.081 38.499 38.460 -0.070 0.000 1.311 279 Y HN 0.039 nan 8.280 nan 0.000 0.575 280 T N -1.766 112.879 114.554 0.152 0.000 2.906 280 T HA -0.026 4.305 4.350 -0.032 0.000 0.320 280 T C 1.207 175.945 174.700 0.063 0.000 1.088 280 T CA -0.104 62.041 62.100 0.075 0.000 1.120 280 T CB 0.672 69.578 68.868 0.064 0.000 1.000 280 T HN 0.772 nan 8.240 nan 0.000 0.550 281 T N 1.648 116.200 114.554 -0.003 0.000 2.720 281 T HA -0.126 4.204 4.350 -0.032 0.000 0.268 281 T C 1.554 176.286 174.700 0.052 0.000 1.037 281 T CA 1.660 63.735 62.100 -0.042 0.000 1.144 281 T CB -0.503 68.227 68.868 -0.230 0.000 0.864 281 T HN 0.700 nan 8.240 nan 0.000 0.444 282 D N 0.720 121.156 120.400 0.060 0.000 2.123 282 D HA -0.101 4.520 4.640 -0.032 0.000 0.196 282 D C 2.123 178.485 176.300 0.103 0.000 0.992 282 D CA 1.056 55.111 54.000 0.091 0.000 0.833 282 D CB -0.322 40.523 40.800 0.075 0.000 0.954 282 D HN 0.544 nan 8.370 nan 0.000 0.455 283 E N 0.311 120.566 120.200 0.092 0.000 2.077 283 E HA -0.177 4.154 4.350 -0.032 0.000 0.193 283 E C 1.592 178.255 176.600 0.105 0.000 0.989 283 E CA 0.887 57.337 56.400 0.083 0.000 0.800 283 E CB 0.257 29.996 29.700 0.065 0.000 0.746 283 E HN 0.070 nan 8.360 nan 0.000 0.452 284 E N 0.439 120.715 120.200 0.127 0.000 2.152 284 E HA -0.120 4.210 4.350 -0.032 0.000 0.192 284 E C 2.142 178.851 176.600 0.181 0.000 0.983 284 E CA 0.574 57.076 56.400 0.169 0.000 0.818 284 E CB -0.155 29.653 29.700 0.180 0.000 0.758 284 E HN 0.454 nan 8.360 nan 0.000 0.467 285 I N 0.705 121.398 120.570 0.205 0.000 2.179 285 I HA -0.181 3.970 4.170 -0.032 0.000 0.242 285 I C 2.405 178.625 176.117 0.173 0.000 1.088 285 I CA 1.368 62.822 61.300 0.257 0.000 1.357 285 I CB -0.518 37.650 38.000 0.281 0.000 1.051 285 I HN 0.126 nan 8.210 nan 0.000 0.409 286 G N -0.236 108.654 108.800 0.151 0.000 2.422 286 G HA2 -0.327 3.614 3.960 -0.032 0.000 0.218 286 G HA3 -0.327 3.614 3.960 -0.032 0.000 0.218 286 G C 1.629 176.602 174.900 0.122 0.000 1.146 286 G CA 0.696 45.872 45.100 0.127 0.000 0.769 286 G HN 0.349 nan 8.290 nan 0.000 0.547 287 Y N 1.842 122.133 120.300 -0.014 0.000 2.220 287 Y HA 0.063 4.594 4.550 -0.031 0.000 0.291 287 Y C 2.766 178.607 175.900 -0.098 0.000 1.129 287 Y CA 1.390 59.462 58.100 -0.047 0.000 1.161 287 Y CB -0.535 37.906 38.460 -0.032 0.000 0.997 287 Y HN 0.115 nan 8.280 nan 0.000 0.522 288 G N -0.032 108.665 108.800 -0.173 0.000 2.418 288 G HA2 -0.221 3.720 3.960 -0.032 0.000 0.217 288 G HA3 -0.221 3.720 3.960 -0.032 0.000 0.217 288 G C 1.511 176.255 174.900 -0.260 0.000 1.158 288 G CA 1.002 45.749 45.100 -0.589 0.000 0.771 288 G HN 0.355 nan 8.290 nan 0.000 0.545 289 E N 0.890 121.070 120.200 -0.034 0.000 2.150 289 E HA -0.024 4.306 4.350 -0.032 0.000 0.193 289 E C 2.886 179.493 176.600 0.012 0.000 0.985 289 E CA 0.921 57.400 56.400 0.133 0.000 0.814 289 E CB -0.475 29.343 29.700 0.196 0.000 0.752 289 E HN 0.377 nan 8.360 nan 0.000 0.466 290 A N 1.318 124.100 122.820 -0.064 0.000 1.877 290 A HA -0.133 4.167 4.320 -0.032 0.000 0.216 290 A C 2.326 179.789 177.584 -0.202 0.000 1.186 290 A CA 1.057 53.025 52.037 -0.115 0.000 0.620 290 A CB -0.623 18.303 19.000 -0.124 0.000 0.822 290 A HN 0.164 nan 8.150 nan 0.000 0.443 291 I N -0.702 119.670 120.570 -0.331 0.000 2.315 291 I HA -0.205 3.946 4.170 -0.032 0.000 0.248 291 I C 2.823 178.794 176.117 -0.245 0.000 1.117 291 I CA 1.419 62.451 61.300 -0.447 0.000 1.404 291 I CB -0.261 37.202 38.000 -0.894 0.000 1.071 291 I HN 0.423 nan 8.210 nan 0.000 0.419 292 S N 0.958 116.632 115.700 -0.044 0.000 2.370 292 S HA -0.162 4.289 4.470 -0.032 0.000 0.226 292 S C 2.162 176.674 174.600 -0.148 0.000 1.033 292 S CA 1.727 59.913 58.200 -0.023 0.000 1.011 292 S CB -0.680 62.456 63.200 -0.106 0.000 0.852 292 S HN 0.560 nan 8.310 nan 0.000 0.457 293 G N 0.968 109.691 108.800 -0.129 0.000 2.450 293 G HA2 -0.089 3.852 3.960 -0.032 0.000 0.220 293 G HA3 -0.089 3.852 3.960 -0.032 0.000 0.220 293 G C 1.231 176.073 174.900 -0.097 0.000 1.130 293 G CA 0.829 45.869 45.100 -0.101 0.000 0.760 293 G HN 0.559 nan 8.290 nan 0.000 0.557 294 L N 0.979 122.129 121.223 -0.123 0.000 2.607 294 L HA 0.187 4.508 4.340 -0.032 0.000 0.228 294 L C 1.409 178.205 176.870 -0.124 0.000 1.123 294 L CA 0.814 55.580 54.840 -0.124 0.000 0.890 294 L CB 0.354 42.322 42.059 -0.153 0.000 1.103 294 L HN 0.281 nan 8.230 nan 0.000 0.468 295 T N -4.914 109.572 114.554 -0.114 0.000 3.487 295 T HA 0.188 4.519 4.350 -0.032 0.000 0.287 295 T C 0.525 175.195 174.700 -0.050 0.000 1.004 295 T CA -0.479 61.569 62.100 -0.086 0.000 0.977 295 T CB -0.147 68.668 68.868 -0.088 0.000 1.180 295 T HN 0.139 nan 8.240 nan 0.000 0.490 296 N N 1.260 119.925 118.700 -0.058 0.000 2.735 296 N HA -0.165 4.555 4.740 -0.032 0.000 0.248 296 N C 1.026 176.507 175.510 -0.047 0.000 1.083 296 N CA 1.652 54.677 53.050 -0.041 0.000 0.703 296 N CB -1.457 37.017 38.487 -0.022 0.000 1.005 296 N HN 1.431 nan 8.380 nan 0.000 0.550 297 G N -2.194 106.535 108.800 -0.119 0.000 2.132 297 G HA2 -0.265 3.676 3.960 -0.032 0.000 0.228 297 G HA3 -0.265 3.676 3.960 -0.032 0.000 0.228 297 G C 0.210 174.975 174.900 -0.225 0.000 1.000 297 G CA 0.276 45.228 45.100 -0.246 0.000 0.693 297 G HN 0.671 nan 8.290 nan 0.000 0.515 298 S N -0.184 115.483 115.700 -0.056 0.000 2.569 298 S HA 0.422 4.873 4.470 -0.032 0.000 0.274 298 S C 0.488 175.109 174.600 0.035 0.000 1.353 298 S CA 0.138 58.411 58.200 0.121 0.000 1.023 298 S CB 0.437 63.803 63.200 0.277 0.000 0.876 298 S HN 0.540 nan 8.310 nan 0.000 0.540 299 H N -0.216 118.924 119.070 0.117 0.000 2.595 299 H HA 0.645 5.181 4.556 -0.033 0.000 0.346 299 H C -0.540 174.720 175.328 -0.113 0.000 1.181 299 H CA -0.486 55.591 56.048 0.049 0.000 1.242 299 H CB 0.900 30.695 29.762 0.054 0.000 1.652 299 H HN 0.668 nan 8.280 nan 0.000 0.548 300 Y N -1.636 118.566 120.300 -0.164 0.000 2.615 300 Y HA 0.619 5.149 4.550 -0.034 0.000 0.341 300 Y C -1.400 174.344 175.900 -0.260 0.000 1.089 300 Y CA -1.509 56.302 58.100 -0.481 0.000 1.049 300 Y CB 0.492 38.199 38.460 -1.256 0.000 1.296 300 Y HN 0.483 nan 8.280 nan 0.000 0.470 301 V N 0.135 119.916 119.914 -0.223 0.000 2.815 301 V HA 0.757 4.858 4.120 -0.032 0.000 0.314 301 V C -0.795 175.354 176.094 0.093 0.000 1.064 301 V CA -1.185 60.999 62.300 -0.193 0.000 0.952 301 V CB 1.794 33.327 31.823 -0.483 0.000 1.020 301 V HN 0.828 nan 8.190 nan 0.000 0.439 302 I N 2.166 122.844 120.570 0.180 0.000 2.433 302 I HA 0.392 4.542 4.170 -0.032 0.000 0.292 302 I C -0.621 175.585 176.117 0.148 0.000 1.001 302 I CA -0.380 61.049 61.300 0.214 0.000 1.119 302 I CB 1.800 39.961 38.000 0.268 0.000 1.289 302 I HN 0.683 nan 8.210 nan 0.000 0.438 303 D N 4.569 125.036 120.400 0.111 0.000 2.342 303 D HA 0.047 4.668 4.640 -0.032 0.000 0.260 303 D C 0.915 177.239 176.300 0.041 0.000 1.278 303 D CA 0.109 54.160 54.000 0.085 0.000 0.910 303 D CB 0.892 41.727 40.800 0.058 0.000 1.079 303 D HN 0.654 nan 8.370 nan 0.000 0.496 304 T N -0.583 114.028 114.554 0.096 0.000 3.176 304 T HA 0.021 4.352 4.350 -0.032 0.000 0.263 304 T C 1.685 176.286 174.700 -0.165 0.000 1.021 304 T CA 0.181 62.298 62.100 0.028 0.000 0.905 304 T CB -0.163 68.766 68.868 0.101 0.000 1.057 304 T HN 0.215 nan 8.240 nan 0.000 0.558 305 S N 2.664 118.102 115.700 -0.437 0.000 2.387 305 S HA -0.135 4.316 4.470 -0.032 0.000 0.230 305 S C 1.641 175.777 174.600 -0.774 0.000 1.035 305 S CA 0.579 58.099 58.200 -1.133 0.000 1.014 305 S CB -0.384 62.422 63.200 -0.658 0.000 0.836 305 S HN 0.632 nan 8.310 nan 0.000 0.466 306 R N 1.044 121.294 120.500 -0.416 0.000 2.592 306 R HA 0.224 4.544 4.340 -0.032 0.000 0.439 306 R C -0.050 176.222 176.300 -0.046 0.000 0.995 306 R CA 0.242 56.210 56.100 -0.219 0.000 1.141 306 R CB 0.193 30.388 30.300 -0.174 0.000 1.495 306 R HN 0.568 nan 8.270 nan 0.000 0.579 307 N N -0.501 118.146 118.700 -0.088 0.000 2.234 307 N HA 0.008 4.729 4.740 -0.032 0.000 0.227 307 N C 1.076 176.579 175.510 -0.012 0.000 1.151 307 N CA 0.082 53.118 53.050 -0.023 0.000 0.865 307 N CB 0.555 39.014 38.487 -0.047 0.000 1.066 307 N HN 0.145 nan 8.380 nan 0.000 0.515 308 G N -0.032 108.759 108.800 -0.014 0.000 2.443 308 G HA2 -0.001 3.940 3.960 -0.032 0.000 0.219 308 G HA3 -0.001 3.940 3.960 -0.032 0.000 0.219 308 G C 1.007 175.905 174.900 -0.005 0.000 1.131 308 G CA 0.750 45.850 45.100 -0.001 0.000 0.775 308 G HN 0.528 nan 8.290 nan 0.000 0.547 309 A N -0.480 122.332 122.820 -0.013 0.000 2.564 309 A HA 0.617 4.918 4.320 -0.032 0.000 0.279 309 A C 1.356 178.921 177.584 -0.031 0.000 1.232 309 A CA 0.938 52.960 52.037 -0.026 0.000 0.950 309 A CB -0.353 18.620 19.000 -0.045 0.000 1.138 309 A HN 1.614 nan 8.150 nan 0.000 0.526 310 G N 0.670 109.462 108.800 -0.014 0.000 2.692 310 G HA2 -0.184 3.756 3.960 -0.032 0.000 0.248 310 G HA3 -0.184 3.756 3.960 -0.032 0.000 0.248 310 G C -2.725 172.135 174.900 -0.066 0.000 1.340 310 G CA -0.193 44.897 45.100 -0.017 0.000 0.896 310 G HN 0.448 nan 8.290 nan 0.000 0.570 311 P HA 0.558 nan 4.420 nan 0.000 0.279 311 P C 0.133 177.299 177.300 -0.224 0.000 1.252 311 P CA 0.422 63.377 63.100 -0.240 0.000 0.811 311 P CB 1.132 32.609 31.700 -0.372 0.000 1.035 312 A N 2.693 125.321 122.820 -0.320 0.000 2.366 312 A HA 0.417 4.717 4.320 -0.032 0.000 0.249 312 A C -2.004 175.479 177.584 -0.168 0.000 1.084 312 A CA -1.169 50.712 52.037 -0.261 0.000 0.794 312 A CB -1.749 17.046 19.000 -0.341 0.000 1.034 312 A HN 0.425 nan 8.150 nan 0.000 0.491 313 P HA 0.012 nan 4.420 nan 0.000 0.264 313 P C -0.521 176.736 177.300 -0.071 0.000 1.183 313 P CA 0.099 63.150 63.100 -0.081 0.000 0.763 313 P CB 0.256 31.910 31.700 -0.077 0.000 0.807 314 D N 1.971 122.354 120.400 -0.028 0.000 2.662 314 D HA 0.197 4.818 4.640 -0.032 0.000 0.237 314 D C -0.119 176.170 176.300 -0.019 0.000 1.154 314 D CA 1.366 55.366 54.000 0.001 0.000 0.861 314 D CB -0.086 40.727 40.800 0.022 0.000 1.146 314 D HN 0.391 nan 8.370 nan 0.000 0.518 315 A N 4.092 126.900 122.820 -0.021 0.000 2.586 315 A HA 0.552 4.853 4.320 -0.032 0.000 0.291 315 A C -2.850 174.713 177.584 -0.034 0.000 1.062 315 A CA -1.197 50.816 52.037 -0.041 0.000 0.666 315 A CB 1.010 19.960 19.000 -0.083 0.000 1.281 315 A HN 0.322 nan 8.150 nan 0.000 0.421 316 P HA 0.491 nan 4.420 nan 0.000 0.271 316 P C 0.343 177.535 177.300 -0.181 0.000 1.220 316 P CA 0.279 63.361 63.100 -0.030 0.000 0.768 316 P CB 0.295 31.992 31.700 -0.005 0.000 0.848 317 L N 0.154 121.169 121.223 -0.347 0.000 4.496 317 L HA -0.287 4.033 4.340 -0.032 0.000 0.419 317 L C 1.416 177.788 176.870 -0.830 0.000 1.139 317 L CA 0.677 54.968 54.840 -0.916 0.000 0.975 317 L CB -1.606 40.096 42.059 -0.595 0.000 2.099 317 L HN 0.533 nan 8.230 nan 0.000 0.818 318 N N 1.041 119.447 118.700 -0.490 0.000 2.520 318 N HA -0.174 4.547 4.740 -0.032 0.000 0.185 318 N C 1.391 176.696 175.510 -0.342 0.000 1.068 318 N CA 1.698 54.538 53.050 -0.350 0.000 0.911 318 N CB -0.310 38.062 38.487 -0.190 0.000 0.961 318 N HN 0.856 nan 8.380 nan 0.000 0.446 319 W N -1.265 119.981 121.300 -0.091 0.000 3.278 319 W HA 0.397 5.039 4.660 -0.030 0.000 0.308 319 W C -0.462 176.107 176.519 0.084 0.000 1.253 319 W CA -0.888 56.503 57.345 0.076 0.000 1.759 319 W CB -0.884 28.646 29.460 0.117 0.000 1.093 319 W HN 0.003 nan 8.180 nan 0.000 0.648 320 c N 5.051 123.290 118.600 -0.601 0.000 2.176 320 c HA 0.252 4.803 4.570 -0.032 0.000 0.329 320 c C 0.734 174.602 174.090 -0.370 0.000 1.113 320 c CA -0.521 55.495 56.329 -0.522 0.000 1.562 320 c CB -1.797 40.068 42.510 -1.074 0.000 2.040 320 c HN 0.305 nan 8.230 nan 0.000 0.460 321 N N 3.799 122.367 118.700 -0.220 0.000 2.699 321 N HA -0.133 4.587 4.740 -0.032 0.000 0.256 321 N C -2.321 172.937 175.510 -0.419 0.000 0.993 321 N CA 0.751 53.595 53.050 -0.343 0.000 0.759 321 N CB -0.886 37.389 38.487 -0.354 0.000 0.906 321 N HN 0.627 nan 8.380 nan 0.000 0.541 322 P HA 0.086 nan 4.420 nan 0.000 0.271 322 P C 0.312 177.349 177.300 -0.438 0.000 1.218 322 P CA -0.074 62.728 63.100 -0.496 0.000 0.780 322 P CB 0.767 32.050 31.700 -0.696 0.000 0.901 323 S N 0.491 115.989 115.700 -0.336 0.000 2.645 323 S HA 0.518 4.968 4.470 -0.032 0.000 0.266 323 S C 1.181 175.636 174.600 -0.241 0.000 1.258 323 S CA 0.172 58.215 58.200 -0.261 0.000 0.990 323 S CB 0.217 63.303 63.200 -0.190 0.000 0.967 323 S HN 0.923 nan 8.310 nan 0.000 0.556 324 G N 0.542 109.239 108.800 -0.172 0.000 2.155 324 G HA2 -0.203 3.738 3.960 -0.032 0.000 0.257 324 G HA3 -0.203 3.738 3.960 -0.032 0.000 0.257 324 G C 0.080 174.894 174.900 -0.143 0.000 0.983 324 G CA 0.075 45.095 45.100 -0.134 0.000 0.676 324 G HN 0.719 nan 8.290 nan 0.000 0.528 325 R N 0.090 120.485 120.500 -0.174 0.000 2.532 325 R HA 0.841 5.162 4.340 -0.032 0.000 0.272 325 R C 0.300 176.561 176.300 -0.064 0.000 1.032 325 R CA 0.191 56.211 56.100 -0.133 0.000 1.089 325 R CB 1.202 31.405 30.300 -0.161 0.000 1.098 325 R HN 0.863 nan 8.270 nan 0.000 0.526 326 A N 1.774 124.574 122.820 -0.034 0.000 2.401 326 A HA 0.530 4.831 4.320 -0.032 0.000 0.310 326 A C -0.303 177.253 177.584 -0.046 0.000 1.075 326 A CA -0.835 51.184 52.037 -0.030 0.000 0.746 326 A CB 0.989 19.975 19.000 -0.024 0.000 1.277 326 A HN 0.592 nan 8.150 nan 0.000 0.425 327 L N 1.742 122.929 121.223 -0.061 0.000 2.543 327 L HA 0.236 4.556 4.340 -0.032 0.000 0.285 327 L C 1.276 178.136 176.870 -0.017 0.000 1.236 327 L CA 0.404 55.171 54.840 -0.121 0.000 0.871 327 L CB 0.077 42.130 42.059 -0.010 0.000 1.121 327 L HN 0.903 nan 8.230 nan 0.000 0.501 328 G N 1.438 110.219 108.800 -0.032 0.000 2.671 328 G HA2 0.601 4.542 3.960 -0.032 0.000 0.275 328 G HA3 0.601 4.542 3.960 -0.032 0.000 0.275 328 G C -0.460 174.614 174.900 0.290 0.000 1.368 328 G CA -0.367 44.783 45.100 0.083 0.000 1.044 328 G HN 0.863 nan 8.290 nan 0.000 0.543 329 A N 0.608 123.562 122.820 0.223 0.000 2.584 329 A HA 0.424 4.724 4.320 -0.032 0.000 0.239 329 A C -1.955 175.877 177.584 0.414 0.000 1.043 329 A CA -0.290 51.911 52.037 0.272 0.000 0.756 329 A CB -0.523 18.607 19.000 0.216 0.000 0.963 329 A HN 0.375 nan 8.150 nan 0.000 0.511 330 P HA 0.205 nan 4.420 nan 0.000 0.269 330 P C -2.491 174.771 177.300 -0.063 0.000 1.215 330 P CA -1.014 62.024 63.100 -0.104 0.000 0.780 330 P CB -0.346 31.270 31.700 -0.141 0.000 0.898 331 P HA 0.075 nan 4.420 nan 0.000 0.262 331 P C -0.245 177.128 177.300 0.122 0.000 1.182 331 P CA 0.876 63.935 63.100 -0.068 0.000 0.761 331 P CB 0.236 31.815 31.700 -0.202 0.000 0.795 332 T N 0.287 114.949 114.554 0.180 0.000 2.830 332 T HA 0.378 4.709 4.350 -0.032 0.000 0.322 332 T C 0.596 175.325 174.700 0.047 0.000 1.501 332 T CA -0.205 61.973 62.100 0.130 0.000 1.036 332 T CB 0.592 69.484 68.868 0.039 0.000 1.379 332 T HN 0.360 nan 8.240 nan 0.000 0.493 333 T N 0.151 114.706 114.554 0.001 0.000 3.086 333 T HA 0.435 4.765 4.350 -0.032 0.000 0.250 333 T C 1.010 175.610 174.700 -0.165 0.000 1.074 333 T CA 0.389 62.440 62.100 -0.082 0.000 0.988 333 T CB 0.033 68.874 68.868 -0.045 0.000 0.988 333 T HN 0.812 nan 8.240 nan 0.000 0.530 334 A N 2.879 125.604 122.820 -0.159 0.000 2.990 334 A HA 0.518 4.819 4.320 -0.032 0.000 0.282 334 A C 0.970 178.411 177.584 -0.239 0.000 1.688 334 A CA -0.490 51.463 52.037 -0.140 0.000 1.391 334 A CB -1.091 17.871 19.000 -0.064 0.000 1.112 334 A HN 0.619 nan 8.150 nan 0.000 0.588 335 T N -2.394 111.970 114.554 -0.317 0.000 2.923 335 T HA 0.651 4.981 4.350 -0.032 0.000 0.281 335 T C 0.613 175.278 174.700 -0.058 0.000 0.995 335 T CA -0.089 61.766 62.100 -0.409 0.000 0.985 335 T CB 1.811 70.391 68.868 -0.479 0.000 1.114 335 T HN 0.775 nan 8.240 nan 0.000 0.548 336 A N -0.267 122.626 122.820 0.123 0.000 2.535 336 A HA 0.663 4.964 4.320 -0.032 0.000 0.273 336 A C 0.860 178.527 177.584 0.137 0.000 1.267 336 A CA -0.169 51.951 52.037 0.138 0.000 0.940 336 A CB -0.490 18.625 19.000 0.191 0.000 1.101 336 A HN 1.183 nan 8.150 nan 0.000 0.521 337 G N -1.958 106.914 108.800 0.120 0.000 2.461 337 G HA2 0.504 4.444 3.960 -0.032 0.000 0.323 337 G HA3 0.504 4.444 3.960 -0.032 0.000 0.323 337 G C 0.801 175.714 174.900 0.021 0.000 1.229 337 G CA 0.197 45.383 45.100 0.143 0.000 0.941 337 G HN 0.432 nan 8.290 nan 0.000 0.477 338 A N 1.229 124.050 122.820 0.001 0.000 1.972 338 A HA -0.022 4.279 4.320 -0.032 0.000 0.219 338 A C 1.481 178.826 177.584 -0.399 0.000 1.169 338 A CA 1.577 53.495 52.037 -0.197 0.000 0.635 338 A CB -0.321 18.529 19.000 -0.251 0.000 0.810 338 A HN 0.744 nan 8.150 nan 0.000 0.446 339 H N -1.654 117.392 119.070 -0.041 0.000 2.674 339 H HA 0.540 5.077 4.556 -0.033 0.000 0.274 339 H C 0.414 175.422 175.328 -0.533 0.000 1.121 339 H CA 0.188 56.111 56.048 -0.208 0.000 1.132 339 H CB 0.414 30.049 29.762 -0.211 0.000 1.606 339 H HN 0.422 nan 8.280 nan 0.000 0.558 340 A N 0.834 123.330 122.820 -0.540 0.000 2.415 340 A HA 0.096 4.396 4.320 -0.032 0.000 0.309 340 A C 0.465 177.842 177.584 -0.345 0.000 1.356 340 A CA -0.456 51.105 52.037 -0.794 0.000 0.998 340 A CB 0.124 18.910 19.000 -0.357 0.000 1.145 340 A HN 0.255 nan 8.150 nan 0.000 0.545 341 D N 1.665 121.903 120.400 -0.269 0.000 2.144 341 D HA 0.171 4.792 4.640 -0.032 0.000 0.200 341 D C 0.844 177.067 176.300 -0.129 0.000 0.978 341 D CA 2.119 56.050 54.000 -0.114 0.000 0.833 341 D CB 0.202 41.001 40.800 -0.001 0.000 0.961 341 D HN 0.758 nan 8.370 nan 0.000 0.470 342 A N -0.897 121.814 122.820 -0.181 0.000 2.608 342 A HA 0.469 4.769 4.320 -0.032 0.000 0.292 342 A C -1.761 175.790 177.584 -0.054 0.000 1.066 342 A CA -0.777 51.175 52.037 -0.142 0.000 0.676 342 A CB 0.607 19.583 19.000 -0.041 0.000 1.277 342 A HN -0.093 nan 8.150 nan 0.000 0.413 343 Y N 0.646 120.942 120.300 -0.008 0.000 2.327 343 Y HA 0.669 5.200 4.550 -0.032 0.000 0.336 343 Y C 0.223 176.092 175.900 -0.053 0.000 1.035 343 Y CA -1.029 57.082 58.100 0.018 0.000 1.165 343 Y CB 0.718 39.229 38.460 0.085 0.000 1.181 343 Y HN 0.524 nan 8.280 nan 0.000 0.494 344 L N 1.686 122.975 121.223 0.110 0.000 2.323 344 L HA 0.487 4.808 4.340 -0.032 0.000 0.265 344 L C -1.140 175.910 176.870 0.300 0.000 1.012 344 L CA -1.004 53.826 54.840 -0.018 0.000 0.820 344 L CB 2.011 43.955 42.059 -0.193 0.000 1.334 344 L HN 0.492 nan 8.230 nan 0.000 0.427 345 W N 2.514 123.782 121.300 -0.053 0.000 2.295 345 W HA 0.454 5.094 4.660 -0.033 0.000 0.333 345 W C 0.590 177.143 176.519 0.057 0.000 0.990 345 W CA -0.856 56.501 57.345 0.021 0.000 1.453 345 W CB 0.215 29.705 29.460 0.051 0.000 1.263 345 W HN 0.401 nan 8.180 nan 0.000 0.380 346 I N 1.510 122.230 120.570 0.250 0.000 2.368 346 I HA -0.080 4.071 4.170 -0.032 0.000 0.238 346 I C 1.398 177.809 176.117 0.491 0.000 1.076 346 I CA 0.245 61.691 61.300 0.242 0.000 1.397 346 I CB -0.373 37.692 38.000 0.109 0.000 1.141 346 I HN -0.109 nan 8.210 nan 0.000 0.430 347 K N 2.700 123.330 120.400 0.384 0.000 2.485 347 K HA -0.025 4.276 4.320 -0.032 0.000 0.277 347 K C -0.284 176.417 176.600 0.167 0.000 0.990 347 K CA 0.468 56.901 56.287 0.243 0.000 0.994 347 K CB 0.359 32.872 32.500 0.022 0.000 0.906 347 K HN 0.083 nan 8.250 nan 0.000 0.488 348 R N 5.869 126.432 120.500 0.104 0.000 2.205 348 R HA 0.207 4.528 4.340 -0.032 0.000 0.342 348 R C -2.189 174.174 176.300 0.106 0.000 1.058 348 R CA -1.969 54.227 56.100 0.159 0.000 0.904 348 R CB 0.690 31.099 30.300 0.182 0.000 1.089 348 R HN 0.562 nan 8.270 nan 0.000 0.471 349 P HA -0.061 nan 4.420 nan 0.000 0.262 349 P C 0.780 178.156 177.300 0.127 0.000 1.182 349 P CA 0.940 64.039 63.100 -0.002 0.000 0.761 349 P CB 0.817 32.444 31.700 -0.121 0.000 0.795 350 G N 2.115 110.926 108.800 0.017 0.000 2.313 350 G HA2 -0.190 3.751 3.960 -0.032 0.000 0.215 350 G HA3 -0.190 3.751 3.960 -0.032 0.000 0.215 350 G C -0.026 174.755 174.900 -0.198 0.000 1.023 350 G CA -0.442 44.525 45.100 -0.222 0.000 0.626 350 G HN 0.543 nan 8.290 nan 0.000 0.503 351 E N 1.554 121.774 120.200 0.034 0.000 2.360 351 E HA 0.440 4.771 4.350 -0.032 0.000 0.269 351 E C 0.434 177.084 176.600 0.082 0.000 1.022 351 E CA 0.332 56.762 56.400 0.050 0.000 0.887 351 E CB 1.252 30.968 29.700 0.026 0.000 0.990 351 E HN 0.241 nan 8.360 nan 0.000 0.426 352 S N 1.888 117.650 115.700 0.103 0.000 2.572 352 S HA -0.033 4.418 4.470 -0.032 0.000 0.279 352 S C 0.478 175.129 174.600 0.085 0.000 1.341 352 S CA -0.505 57.802 58.200 0.178 0.000 1.043 352 S CB 0.482 63.759 63.200 0.129 0.000 0.887 352 S HN 0.405 nan 8.310 nan 0.000 0.516 353 D N 2.263 122.711 120.400 0.078 0.000 2.349 353 D HA 0.270 4.891 4.640 -0.032 0.000 0.215 353 D C 0.903 177.274 176.300 0.117 0.000 1.016 353 D CA 0.936 54.999 54.000 0.105 0.000 0.870 353 D CB 0.242 41.140 40.800 0.162 0.000 0.917 353 D HN 0.749 nan 8.370 nan 0.000 0.524 354 G N -0.034 108.788 108.800 0.037 0.000 2.369 354 G HA2 -0.076 3.865 3.960 -0.032 0.000 0.293 354 G HA3 -0.076 3.865 3.960 -0.032 0.000 0.293 354 G C 0.765 175.590 174.900 -0.125 0.000 1.301 354 G CA 0.082 45.184 45.100 0.003 0.000 0.913 354 G HN -0.054 nan 8.290 nan 0.000 0.540 355 T N -2.779 111.707 114.554 -0.112 0.000 2.867 355 T HA 0.020 4.351 4.350 -0.032 0.000 0.268 355 T C 1.770 176.288 174.700 -0.304 0.000 1.057 355 T CA 1.895 63.928 62.100 -0.113 0.000 1.136 355 T CB -0.608 68.288 68.868 0.046 0.000 0.874 355 T HN 2.036 nan 8.240 nan 0.000 0.466 356 c N 1.112 119.226 118.600 -0.810 0.000 4.358 356 c HA 0.002 4.553 4.570 -0.032 0.000 0.287 356 c C 1.917 175.775 174.090 -0.385 0.000 1.414 356 c CA 0.401 56.233 56.329 -0.828 0.000 1.949 356 c CB -2.556 39.633 42.510 -0.535 0.000 1.274 356 c HN 1.524 nan 8.230 nan 0.000 0.793 357 G N -0.375 108.323 108.800 -0.171 0.000 2.153 357 G HA2 -0.323 3.618 3.960 -0.032 0.000 0.252 357 G HA3 -0.323 3.618 3.960 -0.032 0.000 0.252 357 G C 0.465 175.332 174.900 -0.054 0.000 0.994 357 G CA 0.788 45.874 45.100 -0.022 0.000 0.698 357 G HN 0.761 nan 8.290 nan 0.000 0.521 358 R N -0.925 119.527 120.500 -0.080 0.000 2.538 358 R HA 0.387 4.708 4.340 -0.032 0.000 0.372 358 R C 1.625 177.898 176.300 -0.046 0.000 0.950 358 R CA 0.387 56.446 56.100 -0.067 0.000 1.168 358 R CB 0.607 30.851 30.300 -0.094 0.000 1.542 358 R HN 1.241 nan 8.270 nan 0.000 0.536 359 G N 2.002 110.783 108.800 -0.033 0.000 2.198 359 G HA2 -0.314 3.627 3.960 -0.032 0.000 0.260 359 G HA3 -0.314 3.627 3.960 -0.032 0.000 0.260 359 G C -0.069 174.816 174.900 -0.024 0.000 1.025 359 G CA 0.444 45.534 45.100 -0.018 0.000 0.769 359 G HN 0.381 nan 8.290 nan 0.000 0.507 360 E N 0.378 120.556 120.200 -0.036 0.000 2.369 360 E HA 0.372 4.703 4.350 -0.032 0.000 0.255 360 E C -2.024 174.565 176.600 -0.018 0.000 1.172 360 E CA -1.654 54.734 56.400 -0.019 0.000 0.932 360 E CB 0.496 30.200 29.700 0.007 0.000 1.040 360 E HN 0.194 nan 8.360 nan 0.000 0.454 361 P HA -0.069 nan 4.420 nan 0.000 0.269 361 P C -0.809 176.497 177.300 0.009 0.000 1.209 361 P CA 0.103 63.186 63.100 -0.029 0.000 0.776 361 P CB 0.408 32.058 31.700 -0.085 0.000 0.876 362 Q N 1.826 121.639 119.800 0.023 0.000 2.369 362 Q HA 0.154 4.475 4.340 -0.032 0.000 0.295 362 Q C -0.191 175.845 176.000 0.060 0.000 1.075 362 Q CA -0.317 55.518 55.803 0.053 0.000 0.941 362 Q CB 0.249 29.016 28.738 0.049 0.000 1.260 362 Q HN 0.558 nan 8.270 nan 0.000 0.417 363 A N 2.435 125.310 122.820 0.092 0.000 2.546 363 A HA 0.362 4.662 4.320 -0.032 0.000 0.243 363 A C 1.155 178.771 177.584 0.052 0.000 1.063 363 A CA 0.732 52.824 52.037 0.091 0.000 0.757 363 A CB -0.618 18.473 19.000 0.153 0.000 0.991 363 A HN 1.261 nan 8.150 nan 0.000 0.503 364 G N 1.281 110.086 108.800 0.008 0.000 2.217 364 G HA2 -0.247 3.694 3.960 -0.032 0.000 0.246 364 G HA3 -0.247 3.694 3.960 -0.032 0.000 0.246 364 G C 0.497 175.421 174.900 0.040 0.000 0.990 364 G CA 0.568 45.657 45.100 -0.019 0.000 0.627 364 G HN 1.195 nan 8.290 nan 0.000 0.522 365 R N 0.467 120.996 120.500 0.048 0.000 2.442 365 R HA 0.552 4.872 4.340 -0.032 0.000 0.291 365 R C -0.047 176.300 176.300 0.079 0.000 1.069 365 R CA -0.758 55.382 56.100 0.066 0.000 1.022 365 R CB -0.204 30.111 30.300 0.026 0.000 0.976 365 R HN 0.193 nan 8.270 nan 0.000 0.443 366 F N 5.176 125.119 119.950 -0.013 0.000 2.495 366 F HA 0.288 4.795 4.527 -0.032 0.000 0.365 366 F C -0.664 175.096 175.800 -0.067 0.000 1.090 366 F CA 0.040 58.032 58.000 -0.014 0.000 1.235 366 F CB 0.733 39.740 39.000 0.011 0.000 1.119 366 F HN 0.221 nan 8.300 nan 0.000 0.562 367 V N 6.952 126.375 119.914 -0.818 0.000 2.349 367 V HA 0.114 4.215 4.120 -0.032 0.000 0.284 367 V C 0.634 176.218 176.094 -0.850 0.000 1.014 367 V CA -0.348 61.520 62.300 -0.720 0.000 0.826 367 V CB 0.829 32.064 31.823 -0.980 0.000 1.009 367 V HN 0.974 nan 8.190 nan 0.000 0.431 368 S N 2.799 118.207 115.700 -0.486 0.000 2.374 368 S HA -0.286 4.165 4.470 -0.032 0.000 0.227 368 S C 1.905 176.403 174.600 -0.169 0.000 1.037 368 S CA 2.216 60.292 58.200 -0.207 0.000 1.024 368 S CB -0.130 63.114 63.200 0.073 0.000 0.861 368 S HN 0.861 nan 8.310 nan 0.000 0.456 369 Q N 0.085 119.780 119.800 -0.175 0.000 2.135 369 Q HA -0.146 4.174 4.340 -0.032 0.000 0.204 369 Q C 1.630 177.654 176.000 0.039 0.000 0.981 369 Q CA 1.656 57.413 55.803 -0.077 0.000 0.856 369 Q CB -0.416 28.267 28.738 -0.092 0.000 0.902 369 Q HN 0.579 nan 8.270 nan 0.000 0.425 370 Y N -0.525 119.655 120.300 -0.201 0.000 2.200 370 Y HA 0.005 4.535 4.550 -0.032 0.000 0.290 370 Y C 2.307 178.117 175.900 -0.149 0.000 1.137 370 Y CA 0.772 58.765 58.100 -0.179 0.000 1.163 370 Y CB -1.254 37.074 38.460 -0.220 0.000 0.988 370 Y HN 0.271 nan 8.280 nan 0.000 0.518 371 A N 0.202 123.004 122.820 -0.030 0.000 1.902 371 A HA -0.150 4.151 4.320 -0.032 0.000 0.217 371 A C 2.370 179.996 177.584 0.069 0.000 1.181 371 A CA 1.581 53.632 52.037 0.024 0.000 0.623 371 A CB -1.089 17.964 19.000 0.090 0.000 0.818 371 A HN 0.398 nan 8.150 nan 0.000 0.443 372 I N 0.068 120.672 120.570 0.057 0.000 2.163 372 I HA -0.269 3.881 4.170 -0.032 0.000 0.243 372 I C 1.896 178.060 176.117 0.078 0.000 1.085 372 I CA 1.611 62.952 61.300 0.068 0.000 1.347 372 I CB -0.428 37.593 38.000 0.036 0.000 1.044 372 I HN 0.253 nan 8.210 nan 0.000 0.408 373 D N 0.708 121.142 120.400 0.056 0.000 2.117 373 D HA -0.135 4.486 4.640 -0.032 0.000 0.197 373 D C 2.342 178.683 176.300 0.067 0.000 0.987 373 D CA 1.253 55.289 54.000 0.060 0.000 0.829 373 D CB -0.306 40.505 40.800 0.018 0.000 0.961 373 D HN 0.290 nan 8.370 nan 0.000 0.460 374 L N 0.591 121.832 121.223 0.030 0.000 2.083 374 L HA -0.145 4.176 4.340 -0.032 0.000 0.209 374 L C 2.491 179.382 176.870 0.034 0.000 1.083 374 L CA 1.167 56.009 54.840 0.003 0.000 0.752 374 L CB -0.326 41.712 42.059 -0.035 0.000 0.899 374 L HN -0.018 nan 8.230 nan 0.000 0.433 375 A N -1.278 121.587 122.820 0.076 0.000 1.897 375 A HA -0.249 4.052 4.320 -0.032 0.000 0.215 375 A C 2.280 179.927 177.584 0.106 0.000 1.181 375 A CA 1.374 53.473 52.037 0.103 0.000 0.620 375 A CB -0.882 18.196 19.000 0.130 0.000 0.821 375 A HN 0.488 nan 8.150 nan 0.000 0.443 376 H N 0.281 119.367 119.070 0.027 0.000 2.352 376 H HA -0.129 4.407 4.556 -0.032 0.000 0.299 376 H C 1.437 176.770 175.328 0.008 0.000 1.097 376 H CA 1.803 57.862 56.048 0.018 0.000 1.311 376 H CB 0.002 29.770 29.762 0.010 0.000 1.377 376 H HN 0.389 nan 8.280 nan 0.000 0.504 377 N N 0.653 119.350 118.700 -0.006 0.000 2.381 377 N HA -0.066 4.655 4.740 -0.032 0.000 0.182 377 N C 1.600 177.067 175.510 -0.071 0.000 1.025 377 N CA 0.933 53.942 53.050 -0.067 0.000 0.888 377 N CB -0.260 38.217 38.487 -0.017 0.000 0.965 377 N HN 0.380 nan 8.380 nan 0.000 0.438 378 A N -0.316 122.484 122.820 -0.033 0.000 2.251 378 A HA 0.442 4.743 4.320 -0.032 0.000 0.209 378 A C 1.456 179.027 177.584 -0.021 0.000 1.187 378 A CA 0.667 52.699 52.037 -0.009 0.000 0.823 378 A CB -0.316 18.707 19.000 0.038 0.000 0.846 378 A HN 0.286 nan 8.150 nan 0.000 0.486 379 G N -1.443 107.310 108.800 -0.078 0.000 2.157 379 G HA2 -0.225 3.716 3.960 -0.032 0.000 0.239 379 G HA3 -0.225 3.716 3.960 -0.032 0.000 0.239 379 G C 0.121 175.003 174.900 -0.030 0.000 0.982 379 G CA 0.407 45.457 45.100 -0.083 0.000 0.650 379 G HN 0.598 nan 8.290 nan 0.000 0.527 380 Q N 0.000 119.806 119.800 0.010 0.000 2.315 380 Q HA 0.000 4.321 4.340 -0.032 0.000 0.214 380 Q CA 0.000 55.837 55.803 0.056 0.000 1.022 380 Q CB 0.000 28.787 28.738 0.082 0.000 1.108 380 Q HN 0.000 nan 8.270 nan 0.000 0.481