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 1ez0_1_A DATA FIRST_RESID 5 DATA SEQUENCE TDNVFYATNA FTGEALPLAF PVHTEVEVNQ AATAAAKVAR DFRRLNNSKR DATA SEQUENCE ASLLRTIASE LEARSDDIIA RAHLETALPE VRLTGEIART ANQLRLFADV DATA SEQUENCE VNSGSYHQAI LDTPNPTRAP LPKPDIRRQQ IALGPVAVFG ASNFPLAFSA DATA SEQUENCE AGGDTASALA AGCPVIVKGH TAHPGTSQIV AECIEQALKQ EQLPQAIFTL DATA SEQUENCE LQGNQRALGQ ALVSHPEIKA VGFTGSVGGG RALFNLAHER PEPIPFYGEL DATA SEQUENCE GAINPTFIFP SAMRAKADLA DQFVASMTMG CGQFCTKPGV VFALNTPETQ DATA SEQUENCE AFIETAQSLI RQQSPSTLLT PGIRDSYQSQ VVSRGSDDGI DVTFSQAESP DATA SEQUENCE CVASALFVTS SENWRKHPAW EEEIFGPQSL IVVCENVADM LSLSEMLAGS DATA SEQUENCE LTATIHATEE DYPQVSQLIP RLEEIAGRLV FNGWPTGVEV GYAMVHGGPY DATA SEQUENCE PASTHSASTS VGAEAIHRWL RPVAYQALPE SLLPDSLKAE NPLEIARAVD DATA SEQUENCE GKAA 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.720 174.700 0.033 0.000 1.109 5 T CA 0.000 62.131 62.100 0.052 0.000 1.349 5 T CB 0.000 68.909 68.868 0.068 0.000 0.612 6 D N 1.169 121.590 120.400 0.035 0.000 2.158 6 D HA 0.015 4.656 4.640 0.000 0.000 0.197 6 D C 0.498 176.816 176.300 0.030 0.000 0.995 6 D CA 1.783 55.801 54.000 0.029 0.000 0.846 6 D CB -0.153 40.664 40.800 0.029 0.000 0.941 6 D HN 0.642 nan 8.370 nan 0.000 0.456 7 N N -1.560 117.160 118.700 0.034 0.000 2.380 7 N HA 0.521 5.262 4.740 0.000 0.000 0.290 7 N C -0.951 174.584 175.510 0.042 0.000 1.236 7 N CA -0.891 52.184 53.050 0.042 0.000 0.780 7 N CB 2.937 41.454 38.487 0.050 0.000 1.438 7 N HN -0.143 nan 8.380 nan 0.000 0.491 8 V N -2.073 117.870 119.914 0.048 0.000 3.141 8 V HA 0.895 5.015 4.120 0.000 0.000 0.312 8 V C -1.274 174.886 176.094 0.110 0.000 1.157 8 V CA -0.866 61.442 62.300 0.013 0.000 1.041 8 V CB 1.498 33.226 31.823 -0.157 0.000 1.071 8 V HN 0.722 nan 8.190 nan 0.000 0.441 9 F N -0.235 119.603 119.950 -0.187 0.000 2.662 9 F HA 0.916 5.443 4.527 0.001 0.000 0.312 9 F C -1.891 173.790 175.800 -0.199 0.000 1.113 9 F CA -1.510 56.440 58.000 -0.083 0.000 0.951 9 F CB 1.390 40.402 39.000 0.021 0.000 1.344 9 F HN 0.575 nan 8.300 nan 0.000 0.462 10 Y N 1.179 121.522 120.300 0.071 0.000 2.524 10 Y HA 0.764 5.315 4.550 0.000 0.000 0.344 10 Y C 0.347 176.305 175.900 0.097 0.000 1.012 10 Y CA -1.090 57.017 58.100 0.011 0.000 1.068 10 Y CB 1.808 40.294 38.460 0.043 0.000 1.249 10 Y HN 1.002 nan 8.280 nan 0.000 0.468 11 A N 0.767 123.742 122.820 0.258 0.000 2.351 11 A HA 0.570 4.891 4.320 0.000 0.000 0.257 11 A C -0.236 177.462 177.584 0.190 0.000 1.087 11 A CA -0.331 51.815 52.037 0.182 0.000 0.798 11 A CB 0.012 19.085 19.000 0.122 0.000 1.033 11 A HN 0.692 nan 8.150 nan 0.000 0.488 12 T N 2.437 117.077 114.554 0.143 0.000 2.795 12 T HA 0.195 4.546 4.350 0.000 0.000 0.282 12 T C 0.355 175.096 174.700 0.068 0.000 0.980 12 T CA -0.487 61.677 62.100 0.106 0.000 1.012 12 T CB 0.391 69.313 68.868 0.090 0.000 0.936 12 T HN 0.672 nan 8.240 nan 0.000 0.457 13 N N 2.263 121.003 118.700 0.067 0.000 2.438 13 N HA 0.054 4.794 4.740 0.000 0.000 0.267 13 N C 1.186 176.703 175.510 0.012 0.000 1.222 13 N CA -0.186 52.903 53.050 0.065 0.000 0.930 13 N CB 0.952 39.493 38.487 0.090 0.000 1.083 13 N HN 0.732 nan 8.380 nan 0.000 0.476 14 A N 4.294 127.060 122.820 -0.089 0.000 2.070 14 A HA -0.111 4.210 4.320 0.000 0.000 0.220 14 A C 1.421 178.810 177.584 -0.325 0.000 1.159 14 A CA 1.064 52.946 52.037 -0.259 0.000 0.656 14 A CB -0.411 18.319 19.000 -0.451 0.000 0.800 14 A HN 0.704 nan 8.150 nan 0.000 0.453 15 F N -0.341 119.574 119.950 -0.058 0.000 2.473 15 F HA 0.026 4.553 4.527 0.000 0.000 0.294 15 F C 2.607 178.392 175.800 -0.026 0.000 1.103 15 F CA 1.511 59.481 58.000 -0.050 0.000 1.442 15 F CB -0.045 38.916 39.000 -0.065 0.000 1.097 15 F HN 0.323 nan 8.300 nan 0.000 0.547 16 T N -4.803 109.842 114.554 0.152 0.000 2.969 16 T HA 0.426 4.776 4.350 0.000 0.000 0.250 16 T C 1.802 176.534 174.700 0.054 0.000 1.021 16 T CA 0.596 62.751 62.100 0.090 0.000 1.003 16 T CB 0.435 69.349 68.868 0.076 0.000 1.040 16 T HN 0.328 nan 8.240 nan 0.000 0.492 17 G N 1.313 110.140 108.800 0.045 0.000 2.176 17 G HA2 -0.217 3.744 3.960 0.000 0.000 0.253 17 G HA3 -0.217 3.744 3.960 0.000 0.000 0.253 17 G C -0.171 174.752 174.900 0.039 0.000 0.979 17 G CA 0.275 45.396 45.100 0.035 0.000 0.641 17 G HN 0.683 nan 8.290 nan 0.000 0.530 18 E N 0.103 120.326 120.200 0.039 0.000 2.254 18 E HA 0.674 5.025 4.350 0.000 0.000 0.261 18 E C 0.670 177.291 176.600 0.036 0.000 1.051 18 E CA -0.316 56.101 56.400 0.028 0.000 0.902 18 E CB 1.099 30.808 29.700 0.015 0.000 1.168 18 E HN 0.608 nan 8.360 nan 0.000 0.423 19 A N 1.501 124.327 122.820 0.011 0.000 2.388 19 A HA 0.322 4.642 4.320 0.000 0.000 0.257 19 A C -0.323 177.275 177.584 0.024 0.000 1.095 19 A CA -0.238 51.812 52.037 0.022 0.000 0.791 19 A CB 0.078 19.026 19.000 -0.087 0.000 1.029 19 A HN 0.471 nan 8.150 nan 0.000 0.489 20 L N 3.226 124.507 121.223 0.097 0.000 2.399 20 L HA 0.417 4.757 4.340 0.000 0.000 0.265 20 L C -1.588 175.359 176.870 0.128 0.000 1.089 20 L CA -1.999 52.903 54.840 0.104 0.000 0.802 20 L CB 1.232 43.374 42.059 0.139 0.000 1.180 20 L HN 0.574 nan 8.230 nan 0.000 0.454 21 P HA 0.179 nan 4.420 nan 0.000 0.273 21 P C -0.942 176.412 177.300 0.090 0.000 1.250 21 P CA -0.239 62.910 63.100 0.082 0.000 0.793 21 P CB 0.782 32.504 31.700 0.036 0.000 1.011 22 L N -2.845 118.389 121.223 0.018 0.000 2.178 22 L HA -0.127 4.213 4.340 0.000 0.000 0.544 22 L C -0.088 176.424 176.870 -0.597 0.000 1.001 22 L CA -0.258 54.421 54.840 -0.268 0.000 1.227 22 L CB -1.598 40.259 42.059 -0.338 0.000 1.826 22 L HN 0.637 nan 8.230 nan 0.000 0.953 23 A N 4.198 126.583 122.820 -0.726 0.000 2.304 23 A HA 0.914 5.234 4.320 0.000 0.000 0.301 23 A C -0.784 176.100 177.584 -1.167 0.000 1.132 23 A CA -0.144 51.220 52.037 -1.123 0.000 0.819 23 A CB 0.571 19.074 19.000 -0.830 0.000 1.094 23 A HN 0.400 nan 8.150 nan 0.000 0.492 24 F N 1.744 121.282 119.950 -0.687 0.000 2.546 24 F HA 0.540 5.067 4.527 0.000 0.000 0.320 24 F C -1.980 173.627 175.800 -0.322 0.000 1.076 24 F CA -2.345 55.344 58.000 -0.518 0.000 0.928 24 F CB 2.071 40.626 39.000 -0.743 0.000 1.189 24 F HN 0.357 nan 8.300 nan 0.000 0.465 25 P HA 0.120 nan 4.420 nan 0.000 0.274 25 P C -0.779 176.481 177.300 -0.067 0.000 1.231 25 P CA -0.171 62.858 63.100 -0.118 0.000 0.790 25 P CB 1.660 33.205 31.700 -0.257 0.000 0.951 26 V N 3.571 123.468 119.914 -0.028 0.000 2.259 26 V HA 0.167 4.287 4.120 0.000 0.000 0.267 26 V C 0.630 176.721 176.094 -0.004 0.000 1.051 26 V CA -0.383 61.913 62.300 -0.007 0.000 0.830 26 V CB -1.149 30.691 31.823 0.027 0.000 1.080 26 V HN 0.547 nan 8.190 nan 0.000 0.467 27 H N 2.420 121.513 119.070 0.039 0.000 2.690 27 H HA 0.487 5.043 4.556 0.000 0.000 0.365 27 H C 0.866 176.191 175.328 -0.005 0.000 1.142 27 H CA 0.351 56.405 56.048 0.010 0.000 1.417 27 H CB 1.224 30.984 29.762 -0.005 0.000 1.446 27 H HN 0.718 nan 8.280 nan 0.000 0.599 28 T N -2.139 112.497 114.554 0.137 0.000 2.645 28 T HA 0.027 4.377 4.350 0.000 0.000 0.273 28 T C 1.260 175.984 174.700 0.040 0.000 0.960 28 T CA -0.865 61.276 62.100 0.067 0.000 1.051 28 T CB 1.291 70.189 68.868 0.051 0.000 1.366 28 T HN 0.705 nan 8.240 nan 0.000 0.536 29 E N 0.313 120.534 120.200 0.036 0.000 2.209 29 E HA -0.127 4.223 4.350 0.000 0.000 0.196 29 E C 1.805 178.421 176.600 0.026 0.000 0.993 29 E CA 1.452 57.875 56.400 0.038 0.000 0.819 29 E CB -0.693 29.032 29.700 0.041 0.000 0.745 29 E HN 0.463 nan 8.360 nan 0.000 0.477 30 V N 1.100 121.023 119.914 0.015 0.000 2.307 30 V HA -0.229 3.891 4.120 0.000 0.000 0.245 30 V C 2.231 178.302 176.094 -0.038 0.000 1.045 30 V CA 2.292 64.592 62.300 0.000 0.000 1.024 30 V CB -0.562 31.264 31.823 0.006 0.000 0.651 30 V HN 0.183 nan 8.190 nan 0.000 0.449 31 E N -0.064 120.095 120.200 -0.069 0.000 2.150 31 E HA -0.118 4.233 4.350 0.000 0.000 0.193 31 E C 2.087 178.581 176.600 -0.178 0.000 0.985 31 E CA 0.845 57.141 56.400 -0.172 0.000 0.814 31 E CB -0.442 29.048 29.700 -0.349 0.000 0.752 31 E HN 0.399 nan 8.360 nan 0.000 0.466 32 V N 1.437 121.281 119.914 -0.117 0.000 2.261 32 V HA -0.304 3.816 4.120 0.000 0.000 0.246 32 V C 2.176 178.153 176.094 -0.194 0.000 1.047 32 V CA 2.052 64.274 62.300 -0.130 0.000 1.015 32 V CB -0.643 31.161 31.823 -0.031 0.000 0.642 32 V HN 0.326 nan 8.190 nan 0.000 0.446 33 N N 0.095 118.748 118.700 -0.078 0.000 2.069 33 N HA -0.225 4.516 4.740 0.000 0.000 0.191 33 N C 1.908 177.344 175.510 -0.124 0.000 1.031 33 N CA 1.980 55.003 53.050 -0.045 0.000 0.852 33 N CB -0.222 38.329 38.487 0.107 0.000 1.018 33 N HN 0.598 nan 8.380 nan 0.000 0.423 34 Q N -0.343 119.393 119.800 -0.106 0.000 2.050 34 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 34 Q C 2.209 178.117 176.000 -0.154 0.000 0.980 34 Q CA 1.724 57.462 55.803 -0.108 0.000 0.840 34 Q CB -0.337 28.339 28.738 -0.103 0.000 0.898 34 Q HN 0.516 nan 8.270 nan 0.000 0.424 35 A N 1.401 124.101 122.820 -0.200 0.000 1.877 35 A HA -0.151 4.169 4.320 0.000 0.000 0.216 35 A C 2.365 179.803 177.584 -0.244 0.000 1.186 35 A CA 1.784 53.686 52.037 -0.225 0.000 0.620 35 A CB -0.947 17.898 19.000 -0.257 0.000 0.822 35 A HN 0.409 nan 8.150 nan 0.000 0.443 36 A N -1.154 121.465 122.820 -0.336 0.000 1.902 36 A HA -0.071 4.249 4.320 0.000 0.000 0.217 36 A C 2.302 179.744 177.584 -0.237 0.000 1.181 36 A CA 2.294 54.099 52.037 -0.386 0.000 0.623 36 A CB -1.258 17.221 19.000 -0.869 0.000 0.818 36 A HN 0.446 nan 8.150 nan 0.000 0.443 37 T N 0.316 114.757 114.554 -0.189 0.000 2.708 37 T HA -0.019 4.331 4.350 0.000 0.000 0.266 37 T C 2.226 176.886 174.700 -0.068 0.000 1.037 37 T CA 1.597 63.656 62.100 -0.069 0.000 1.146 37 T CB -0.441 68.408 68.868 -0.031 0.000 0.865 37 T HN 0.590 nan 8.240 nan 0.000 0.435 38 A N 1.359 124.123 122.820 -0.093 0.000 1.933 38 A HA 0.200 4.520 4.320 0.000 0.000 0.218 38 A C 2.625 180.155 177.584 -0.090 0.000 1.175 38 A CA 1.742 53.729 52.037 -0.084 0.000 0.628 38 A CB -1.025 17.917 19.000 -0.097 0.000 0.814 38 A HN 0.502 nan 8.150 nan 0.000 0.444 39 A N -0.067 122.682 122.820 -0.117 0.000 1.902 39 A HA 0.178 4.498 4.320 0.000 0.000 0.217 39 A C 2.499 180.043 177.584 -0.067 0.000 1.181 39 A CA 1.990 53.956 52.037 -0.118 0.000 0.623 39 A CB -1.005 17.905 19.000 -0.149 0.000 0.818 39 A HN 1.046 nan 8.150 nan 0.000 0.443 40 A N -0.371 122.420 122.820 -0.048 0.000 1.933 40 A HA -0.178 4.142 4.320 0.000 0.000 0.218 40 A C 2.111 179.697 177.584 0.003 0.000 1.175 40 A CA 1.965 53.998 52.037 -0.007 0.000 0.628 40 A CB -0.447 18.558 19.000 0.009 0.000 0.814 40 A HN 0.528 nan 8.150 nan 0.000 0.444 41 K N -0.208 120.186 120.400 -0.010 0.000 2.209 41 K HA -0.096 4.225 4.320 0.000 0.000 0.204 41 K C 1.413 178.017 176.600 0.006 0.000 1.048 41 K CA 1.623 57.909 56.287 -0.002 0.000 0.940 41 K CB -0.131 32.361 32.500 -0.013 0.000 0.729 41 K HN 0.513 nan 8.250 nan 0.000 0.451 42 V N -4.052 115.860 119.914 -0.004 0.000 3.578 42 V HA 0.336 4.456 4.120 0.000 0.000 0.290 42 V C 1.641 177.773 176.094 0.064 0.000 1.376 42 V CA 0.531 62.839 62.300 0.013 0.000 1.083 42 V CB 0.280 32.081 31.823 -0.036 0.000 0.911 42 V HN 0.141 nan 8.190 nan 0.000 0.433 43 A N 1.569 124.426 122.820 0.062 0.000 1.883 43 A HA -0.224 4.097 4.320 0.000 0.000 0.217 43 A C 2.410 180.083 177.584 0.148 0.000 1.186 43 A CA 2.389 54.496 52.037 0.117 0.000 0.624 43 A CB -0.630 18.418 19.000 0.081 0.000 0.822 43 A HN 0.573 nan 8.150 nan 0.000 0.444 44 R N -0.548 120.015 120.500 0.105 0.000 2.073 44 R HA -0.171 4.169 4.340 0.000 0.000 0.234 44 R C 1.580 177.945 176.300 0.109 0.000 1.134 44 R CA 1.906 58.065 56.100 0.098 0.000 0.952 44 R CB -0.374 29.971 30.300 0.074 0.000 0.850 44 R HN 0.477 nan 8.270 nan 0.000 0.433 45 D N -0.160 120.308 120.400 0.113 0.000 2.117 45 D HA -0.182 4.458 4.640 0.000 0.000 0.197 45 D C 1.602 178.005 176.300 0.172 0.000 0.987 45 D CA 0.962 55.032 54.000 0.118 0.000 0.829 45 D CB -0.305 40.556 40.800 0.103 0.000 0.961 45 D HN 0.174 nan 8.370 nan 0.000 0.460 46 F N 2.279 122.241 119.950 0.021 0.000 2.134 46 F HA -0.149 4.378 4.527 0.000 0.000 0.299 46 F C 2.296 178.113 175.800 0.029 0.000 1.097 46 F CA 1.400 59.409 58.000 0.016 0.000 1.264 46 F CB -0.169 38.831 39.000 -0.001 0.000 1.001 46 F HN -0.075 nan 8.300 nan 0.000 0.479 47 R N 0.004 120.506 120.500 0.003 0.000 2.235 47 R HA 0.011 4.351 4.340 0.000 0.000 0.213 47 R C 1.755 178.049 176.300 -0.009 0.000 1.059 47 R CA 1.140 57.194 56.100 -0.077 0.000 0.997 47 R CB -0.532 29.792 30.300 0.039 0.000 0.884 47 R HN 0.201 nan 8.270 nan 0.000 0.462 48 R N 0.694 121.211 120.500 0.029 0.000 2.317 48 R HA 0.261 4.601 4.340 0.000 0.000 0.208 48 R C 0.141 176.462 176.300 0.035 0.000 0.914 48 R CA -0.233 55.897 56.100 0.049 0.000 1.060 48 R CB 0.086 30.421 30.300 0.059 0.000 1.015 48 R HN 0.143 nan 8.270 nan 0.000 0.498 49 L N 1.886 123.111 121.223 0.003 0.000 2.483 49 L HA -0.024 4.316 4.340 0.000 0.000 0.275 49 L C 0.490 177.371 176.870 0.017 0.000 1.220 49 L CA -0.082 54.764 54.840 0.009 0.000 0.833 49 L CB 0.129 42.178 42.059 -0.016 0.000 1.102 49 L HN 0.144 nan 8.230 nan 0.000 0.490 50 N N 1.759 120.477 118.700 0.031 0.000 2.441 50 N HA -0.036 4.704 4.740 0.000 0.000 0.251 50 N C 0.707 176.246 175.510 0.049 0.000 1.242 50 N CA 0.192 53.270 53.050 0.047 0.000 0.898 50 N CB 0.308 38.819 38.487 0.040 0.000 1.100 50 N HN 0.540 nan 8.380 nan 0.000 0.443 51 N N 0.275 119.031 118.700 0.093 0.000 2.149 51 N HA -0.205 4.535 4.740 0.000 0.000 0.188 51 N C 1.626 177.167 175.510 0.053 0.000 1.019 51 N CA 1.467 54.577 53.050 0.100 0.000 0.857 51 N CB 0.010 38.608 38.487 0.185 0.000 0.997 51 N HN 0.579 nan 8.380 nan 0.000 0.426 52 S N 0.962 116.694 115.700 0.053 0.000 2.382 52 S HA -0.150 4.320 4.470 0.000 0.000 0.228 52 S C 1.849 176.465 174.600 0.028 0.000 1.027 52 S CA 1.049 59.273 58.200 0.039 0.000 0.991 52 S CB -0.148 63.074 63.200 0.037 0.000 0.823 52 S HN 0.144 nan 8.310 nan 0.000 0.469 53 K N 1.697 122.112 120.400 0.026 0.000 2.031 53 K HA 0.124 4.445 4.320 0.000 0.000 0.205 53 K C 2.396 179.009 176.600 0.022 0.000 1.049 53 K CA 1.279 57.582 56.287 0.027 0.000 0.939 53 K CB -0.484 32.036 32.500 0.033 0.000 0.717 53 K HN 0.385 nan 8.250 nan 0.000 0.438 54 R N -0.449 120.044 120.500 -0.012 0.000 2.115 54 R HA 0.016 4.356 4.340 0.000 0.000 0.230 54 R C 2.027 178.316 176.300 -0.018 0.000 1.111 54 R CA 1.196 57.271 56.100 -0.042 0.000 0.976 54 R CB -0.300 29.879 30.300 -0.203 0.000 0.870 54 R HN 0.303 nan 8.270 nan 0.000 0.445 55 A N -0.435 122.379 122.820 -0.011 0.000 1.902 55 A HA -0.171 4.150 4.320 0.000 0.000 0.217 55 A C 2.097 179.690 177.584 0.014 0.000 1.181 55 A CA 1.847 53.886 52.037 0.004 0.000 0.623 55 A CB -0.787 18.224 19.000 0.019 0.000 0.818 55 A HN 0.401 nan 8.150 nan 0.000 0.443 56 S N -0.599 115.112 115.700 0.019 0.000 2.368 56 S HA -0.171 4.299 4.470 0.000 0.000 0.225 56 S C 1.968 176.579 174.600 0.019 0.000 1.030 56 S CA 1.605 59.816 58.200 0.019 0.000 0.999 56 S CB -0.521 62.692 63.200 0.022 0.000 0.844 56 S HN 0.564 nan 8.310 nan 0.000 0.459 57 L N 1.748 122.990 121.223 0.031 0.000 2.012 57 L HA -0.034 4.306 4.340 0.000 0.000 0.210 57 L C 2.132 179.010 176.870 0.013 0.000 1.073 57 L CA 1.828 56.689 54.840 0.035 0.000 0.748 57 L CB -0.768 41.342 42.059 0.084 0.000 0.891 57 L HN 0.415 nan 8.230 nan 0.000 0.431 58 L N -0.798 120.434 121.223 0.016 0.000 2.046 58 L HA -0.211 4.130 4.340 0.000 0.000 0.208 58 L C 2.808 179.676 176.870 -0.002 0.000 1.077 58 L CA 1.513 56.356 54.840 0.004 0.000 0.747 58 L CB -0.550 41.521 42.059 0.020 0.000 0.896 58 L HN 0.275 nan 8.230 nan 0.000 0.432 59 R N -0.878 119.623 120.500 0.003 0.000 2.092 59 R HA -0.091 4.250 4.340 0.000 0.000 0.231 59 R C 2.241 178.536 176.300 -0.008 0.000 1.119 59 R CA 1.651 57.751 56.100 -0.001 0.000 0.970 59 R CB -0.578 29.725 30.300 0.004 0.000 0.864 59 R HN 0.324 nan 8.270 nan 0.000 0.440 60 T N 1.487 116.036 114.554 -0.008 0.000 2.821 60 T HA -0.037 4.314 4.350 0.000 0.000 0.267 60 T C 1.905 176.587 174.700 -0.029 0.000 1.046 60 T CA 0.943 63.035 62.100 -0.014 0.000 1.139 60 T CB -0.071 68.792 68.868 -0.009 0.000 0.871 60 T HN 0.141 nan 8.240 nan 0.000 0.454 61 I N 1.290 121.835 120.570 -0.041 0.000 2.226 61 I HA -0.176 3.994 4.170 0.000 0.000 0.245 61 I C 2.883 178.965 176.117 -0.059 0.000 1.100 61 I CA 1.025 62.282 61.300 -0.071 0.000 1.374 61 I CB -0.427 37.510 38.000 -0.104 0.000 1.057 61 I HN 0.193 nan 8.210 nan 0.000 0.413 62 A N 0.002 122.798 122.820 -0.040 0.000 1.902 62 A HA -0.195 4.125 4.320 0.000 0.000 0.217 62 A C 2.483 180.052 177.584 -0.024 0.000 1.181 62 A CA 2.206 54.225 52.037 -0.030 0.000 0.623 62 A CB -0.676 18.313 19.000 -0.018 0.000 0.818 62 A HN 0.381 nan 8.150 nan 0.000 0.443 63 S N -0.351 115.336 115.700 -0.021 0.000 2.368 63 S HA -0.108 4.363 4.470 0.000 0.000 0.224 63 S C 1.904 176.493 174.600 -0.019 0.000 1.029 63 S CA 1.184 59.375 58.200 -0.016 0.000 0.988 63 S CB -0.264 62.929 63.200 -0.011 0.000 0.838 63 S HN 0.565 nan 8.310 nan 0.000 0.462 64 E N 1.353 121.537 120.200 -0.026 0.000 2.110 64 E HA -0.044 4.306 4.350 0.000 0.000 0.193 64 E C 2.066 178.649 176.600 -0.028 0.000 0.988 64 E CA 0.574 56.957 56.400 -0.028 0.000 0.804 64 E CB -0.417 29.260 29.700 -0.038 0.000 0.745 64 E HN 0.446 nan 8.360 nan 0.000 0.458 65 L N 0.626 121.828 121.223 -0.035 0.000 2.017 65 L HA -0.195 4.146 4.340 0.000 0.000 0.208 65 L C 2.345 179.204 176.870 -0.018 0.000 1.073 65 L CA 1.302 56.124 54.840 -0.031 0.000 0.745 65 L CB -0.291 41.746 42.059 -0.037 0.000 0.894 65 L HN 0.132 nan 8.230 nan 0.000 0.432 66 E N -0.199 119.992 120.200 -0.015 0.000 2.110 66 E HA -0.207 4.144 4.350 0.000 0.000 0.193 66 E C 2.181 178.777 176.600 -0.007 0.000 0.988 66 E CA 1.076 57.471 56.400 -0.009 0.000 0.804 66 E CB -0.112 29.584 29.700 -0.008 0.000 0.745 66 E HN 0.490 nan 8.360 nan 0.000 0.458 67 A N 0.917 123.731 122.820 -0.009 0.000 2.015 67 A HA -0.096 4.225 4.320 0.000 0.000 0.219 67 A C 1.773 179.355 177.584 -0.004 0.000 1.163 67 A CA 0.946 52.979 52.037 -0.006 0.000 0.646 67 A CB 0.025 19.021 19.000 -0.007 0.000 0.806 67 A HN -0.012 nan 8.150 nan 0.000 0.448 68 R N -0.025 120.473 120.500 -0.004 0.000 2.468 68 R HA 0.086 4.426 4.340 0.000 0.000 0.280 68 R C 1.871 178.172 176.300 0.003 0.000 0.963 68 R CA 0.811 56.911 56.100 0.001 0.000 1.083 68 R CB -0.565 29.736 30.300 0.001 0.000 1.200 68 R HN 0.713 nan 8.270 nan 0.000 0.541 69 S N 1.811 117.511 115.700 -0.000 0.000 2.372 69 S HA -0.235 4.235 4.470 0.000 0.000 0.227 69 S C 1.620 176.222 174.600 0.003 0.000 1.044 69 S CA 1.839 60.039 58.200 0.000 0.000 1.050 69 S CB -0.223 62.976 63.200 -0.002 0.000 0.901 69 S HN 0.402 nan 8.310 nan 0.000 0.447 70 D N 1.942 122.344 120.400 0.003 0.000 2.104 70 D HA -0.185 4.456 4.640 0.000 0.000 0.194 70 D C 1.381 177.689 176.300 0.013 0.000 0.994 70 D CA 1.663 55.666 54.000 0.004 0.000 0.830 70 D CB -1.002 39.799 40.800 0.002 0.000 0.959 70 D HN 0.387 nan 8.370 nan 0.000 0.452 71 D N 0.673 121.083 120.400 0.017 0.000 2.117 71 D HA -0.067 4.573 4.640 0.000 0.000 0.197 71 D C 2.450 178.771 176.300 0.035 0.000 0.987 71 D CA 0.568 54.585 54.000 0.027 0.000 0.829 71 D CB -0.263 40.553 40.800 0.027 0.000 0.961 71 D HN 0.356 nan 8.370 nan 0.000 0.460 72 I N 0.839 121.425 120.570 0.026 0.000 2.127 72 I HA -0.249 3.922 4.170 0.000 0.000 0.241 72 I C 2.478 178.613 176.117 0.030 0.000 1.075 72 I CA 0.863 62.178 61.300 0.025 0.000 1.334 72 I CB -0.218 37.788 38.000 0.010 0.000 1.040 72 I HN -0.052 nan 8.210 nan 0.000 0.405 73 I N 0.806 121.390 120.570 0.024 0.000 2.163 73 I HA -0.309 3.861 4.170 0.000 0.000 0.243 73 I C 2.832 178.989 176.117 0.066 0.000 1.085 73 I CA 1.457 62.775 61.300 0.030 0.000 1.347 73 I CB -0.559 37.444 38.000 0.005 0.000 1.044 73 I HN 0.204 nan 8.210 nan 0.000 0.408 74 A N 0.700 123.555 122.820 0.058 0.000 1.908 74 A HA -0.267 4.053 4.320 0.000 0.000 0.218 74 A C 2.353 180.012 177.584 0.126 0.000 1.181 74 A CA 2.124 54.213 52.037 0.087 0.000 0.627 74 A CB -0.537 18.497 19.000 0.058 0.000 0.818 74 A HN 0.304 nan 8.150 nan 0.000 0.445 75 R N -0.162 120.397 120.500 0.097 0.000 2.062 75 R HA 0.100 4.441 4.340 0.000 0.000 0.229 75 R C 2.206 178.565 176.300 0.099 0.000 1.128 75 R CA 1.748 57.909 56.100 0.102 0.000 0.960 75 R CB -0.849 29.507 30.300 0.093 0.000 0.855 75 R HN 0.364 nan 8.270 nan 0.000 0.432 76 A N -0.370 122.496 122.820 0.077 0.000 1.940 76 A HA -0.228 4.093 4.320 0.000 0.000 0.219 76 A C 2.058 179.687 177.584 0.076 0.000 1.176 76 A CA 1.966 54.028 52.037 0.042 0.000 0.631 76 A CB -0.966 18.032 19.000 -0.004 0.000 0.814 76 A HN 0.646 nan 8.150 nan 0.000 0.446 77 H N 0.035 119.131 119.070 0.043 0.000 2.319 77 H HA -0.033 4.523 4.556 0.001 0.000 0.299 77 H C 1.665 177.105 175.328 0.187 0.000 1.092 77 H CA 2.101 58.210 56.048 0.100 0.000 1.302 77 H CB -0.273 29.554 29.762 0.109 0.000 1.373 77 H HN 0.378 nan 8.280 nan 0.000 0.497 78 L N -0.148 121.123 121.223 0.080 0.000 2.156 78 L HA -0.052 4.288 4.340 0.000 0.000 0.208 78 L C 2.229 179.108 176.870 0.015 0.000 1.095 78 L CA 1.254 56.143 54.840 0.080 0.000 0.770 78 L CB -0.275 41.860 42.059 0.126 0.000 0.914 78 L HN 0.394 nan 8.230 nan 0.000 0.439 79 E N -0.606 119.603 120.200 0.016 0.000 2.216 79 E HA -0.124 4.226 4.350 0.000 0.000 0.192 79 E C 1.821 178.387 176.600 -0.056 0.000 0.988 79 E CA 1.595 58.000 56.400 0.008 0.000 0.834 79 E CB 0.159 29.893 29.700 0.056 0.000 0.772 79 E HN 0.544 nan 8.360 nan 0.000 0.479 80 T N -3.998 110.487 114.554 -0.116 0.000 2.958 80 T HA 0.491 4.841 4.350 0.000 0.000 0.256 80 T C 1.220 175.738 174.700 -0.304 0.000 0.983 80 T CA 0.393 62.394 62.100 -0.166 0.000 0.924 80 T CB 0.889 69.682 68.868 -0.125 0.000 1.136 80 T HN 0.116 nan 8.240 nan 0.000 0.506 81 A N 0.741 123.286 122.820 -0.457 0.000 3.172 81 A HA -0.101 4.219 4.320 0.000 0.000 0.263 81 A C 0.268 177.737 177.584 -0.191 0.000 1.215 81 A CA 0.903 52.486 52.037 -0.757 0.000 1.065 81 A CB -2.672 15.679 19.000 -1.082 0.000 1.148 81 A HN 0.634 nan 8.150 nan 0.000 0.904 82 L N 0.261 121.445 121.223 -0.065 0.000 2.380 82 L HA 0.334 4.674 4.340 0.000 0.000 0.273 82 L C -1.906 175.099 176.870 0.225 0.000 1.138 82 L CA -1.944 52.910 54.840 0.023 0.000 0.832 82 L CB 0.383 42.404 42.059 -0.064 0.000 1.124 82 L HN 0.044 nan 8.230 nan 0.000 0.454 83 P HA -0.041 nan 4.420 nan 0.000 0.265 83 P C 0.160 177.496 177.300 0.059 0.000 1.187 83 P CA 0.148 63.335 63.100 0.145 0.000 0.766 83 P CB 0.496 32.236 31.700 0.068 0.000 0.820 84 E N 1.398 121.549 120.200 -0.081 0.000 2.204 84 E HA -0.137 4.213 4.350 0.000 0.000 0.195 84 E C 1.697 178.269 176.600 -0.047 0.000 0.990 84 E CA 0.730 57.067 56.400 -0.106 0.000 0.821 84 E CB -0.249 29.317 29.700 -0.224 0.000 0.750 84 E HN 0.243 nan 8.360 nan 0.000 0.477 85 V N 1.757 121.650 119.914 -0.036 0.000 2.407 85 V HA -0.263 3.858 4.120 0.000 0.000 0.248 85 V C 2.444 178.541 176.094 0.003 0.000 1.055 85 V CA 2.188 64.479 62.300 -0.015 0.000 1.049 85 V CB -0.197 31.620 31.823 -0.010 0.000 0.662 85 V HN 0.125 nan 8.190 nan 0.000 0.455 86 R N 0.183 120.687 120.500 0.008 0.000 2.073 86 R HA 0.029 4.369 4.340 0.000 0.000 0.229 86 R C 1.975 178.273 176.300 -0.003 0.000 1.120 86 R CA 2.006 58.113 56.100 0.012 0.000 0.967 86 R CB -0.985 29.316 30.300 0.001 0.000 0.862 86 R HN 0.522 nan 8.270 nan 0.000 0.436 87 L N 0.074 121.292 121.223 -0.009 0.000 2.141 87 L HA -0.065 4.275 4.340 0.000 0.000 0.209 87 L C 2.054 178.924 176.870 -0.000 0.000 1.094 87 L CA 1.702 56.535 54.840 -0.012 0.000 0.763 87 L CB -0.559 41.499 42.059 -0.000 0.000 0.908 87 L HN 0.267 nan 8.230 nan 0.000 0.437 88 T N -0.424 114.130 114.554 0.000 0.000 2.821 88 T HA -0.113 4.238 4.350 0.000 0.000 0.267 88 T C 1.835 176.545 174.700 0.016 0.000 1.046 88 T CA 1.349 63.451 62.100 0.003 0.000 1.139 88 T CB -0.432 68.434 68.868 -0.003 0.000 0.871 88 T HN 0.549 nan 8.240 nan 0.000 0.454 89 G N 0.616 109.432 108.800 0.026 0.000 2.421 89 G HA2 -0.144 3.816 3.960 0.000 0.000 0.217 89 G HA3 -0.144 3.816 3.960 0.000 0.000 0.217 89 G C 1.380 176.317 174.900 0.061 0.000 1.143 89 G CA 0.536 45.663 45.100 0.045 0.000 0.784 89 G HN 0.514 nan 8.290 nan 0.000 0.541 90 E N -0.131 120.104 120.200 0.058 0.000 2.152 90 E HA 0.008 4.358 4.350 0.000 0.000 0.192 90 E C 2.413 179.048 176.600 0.058 0.000 0.983 90 E CA 0.190 56.641 56.400 0.085 0.000 0.818 90 E CB -0.095 29.647 29.700 0.070 0.000 0.758 90 E HN 0.486 nan 8.360 nan 0.000 0.467 91 I N 0.734 121.322 120.570 0.030 0.000 2.226 91 I HA -0.248 3.922 4.170 0.000 0.000 0.245 91 I C 2.497 178.623 176.117 0.016 0.000 1.100 91 I CA 0.943 62.253 61.300 0.016 0.000 1.374 91 I CB -0.283 37.720 38.000 0.006 0.000 1.057 91 I HN 0.151 nan 8.210 nan 0.000 0.413 92 A N 0.755 123.587 122.820 0.021 0.000 1.902 92 A HA -0.238 4.082 4.320 0.000 0.000 0.217 92 A C 2.447 180.042 177.584 0.018 0.000 1.181 92 A CA 1.614 53.661 52.037 0.017 0.000 0.623 92 A CB -0.623 18.390 19.000 0.021 0.000 0.818 92 A HN 0.344 nan 8.150 nan 0.000 0.443 93 R N -0.667 119.854 120.500 0.035 0.000 2.083 93 R HA -0.135 4.205 4.340 0.000 0.000 0.237 93 R C 2.134 178.439 176.300 0.009 0.000 1.137 93 R CA 2.161 58.281 56.100 0.033 0.000 0.951 93 R CB -0.712 29.634 30.300 0.077 0.000 0.851 93 R HN 0.478 nan 8.270 nan 0.000 0.434 94 T N 0.755 115.319 114.554 0.017 0.000 2.684 94 T HA -0.145 4.205 4.350 0.000 0.000 0.267 94 T C 1.845 176.539 174.700 -0.011 0.000 1.036 94 T CA 1.525 63.624 62.100 -0.002 0.000 1.148 94 T CB -0.350 68.520 68.868 0.003 0.000 0.863 94 T HN 0.489 nan 8.240 nan 0.000 0.436 95 A N 2.429 125.244 122.820 -0.008 0.000 1.877 95 A HA -0.128 4.192 4.320 0.000 0.000 0.216 95 A C 2.242 179.817 177.584 -0.014 0.000 1.186 95 A CA 1.407 53.436 52.037 -0.012 0.000 0.620 95 A CB -0.584 18.410 19.000 -0.010 0.000 0.822 95 A HN 0.394 nan 8.150 nan 0.000 0.443 96 N N -0.541 118.149 118.700 -0.017 0.000 2.381 96 N HA -0.147 4.594 4.740 0.000 0.000 0.182 96 N C 1.817 177.292 175.510 -0.058 0.000 1.025 96 N CA 1.346 54.378 53.050 -0.031 0.000 0.888 96 N CB -0.307 38.165 38.487 -0.026 0.000 0.965 96 N HN 0.797 nan 8.380 nan 0.000 0.438 97 Q N 0.720 120.492 119.800 -0.048 0.000 2.079 97 Q HA 0.012 4.352 4.340 0.000 0.000 0.200 97 Q C 2.022 178.034 176.000 0.020 0.000 0.974 97 Q CA 0.835 56.603 55.803 -0.059 0.000 0.840 97 Q CB -0.002 28.721 28.738 -0.026 0.000 0.898 97 Q HN 0.264 nan 8.270 nan 0.000 0.430 98 L N 0.071 121.323 121.223 0.048 0.000 2.046 98 L HA -0.175 4.165 4.340 0.000 0.000 0.208 98 L C 2.595 179.496 176.870 0.052 0.000 1.077 98 L CA 1.371 56.263 54.840 0.085 0.000 0.747 98 L CB -0.221 41.850 42.059 0.020 0.000 0.896 98 L HN 0.156 nan 8.230 nan 0.000 0.432 99 R N -0.678 119.819 120.500 -0.004 0.000 2.115 99 R HA -0.157 4.184 4.340 0.000 0.000 0.230 99 R C 2.126 178.390 176.300 -0.060 0.000 1.111 99 R CA 0.957 57.045 56.100 -0.020 0.000 0.976 99 R CB -0.362 29.925 30.300 -0.022 0.000 0.870 99 R HN 0.184 nan 8.270 nan 0.000 0.445 100 L N -0.103 121.029 121.223 -0.151 0.000 2.017 100 L HA -0.097 4.243 4.340 0.000 0.000 0.208 100 L C 1.589 178.257 176.870 -0.337 0.000 1.073 100 L CA 1.793 56.447 54.840 -0.310 0.000 0.745 100 L CB -0.431 41.302 42.059 -0.544 0.000 0.894 100 L HN -0.009 nan 8.230 nan 0.000 0.432 101 F N 0.059 119.945 119.950 -0.107 0.000 2.293 101 F HA -0.038 4.489 4.527 0.000 0.000 0.300 101 F C 2.478 178.226 175.800 -0.086 0.000 1.086 101 F CA 0.949 58.884 58.000 -0.108 0.000 1.375 101 F CB -1.214 37.716 39.000 -0.117 0.000 1.045 101 F HN 0.216 nan 8.300 nan 0.000 0.516 102 A N -0.042 122.823 122.820 0.074 0.000 1.902 102 A HA -0.172 4.148 4.320 0.000 0.000 0.217 102 A C 2.036 179.640 177.584 0.034 0.000 1.181 102 A CA 1.953 54.013 52.037 0.039 0.000 0.623 102 A CB -0.694 18.321 19.000 0.025 0.000 0.818 102 A HN 0.236 nan 8.150 nan 0.000 0.443 103 D N -0.210 120.204 120.400 0.022 0.000 2.117 103 D HA -0.094 4.546 4.640 0.000 0.000 0.198 103 D C 2.126 178.475 176.300 0.082 0.000 0.982 103 D CA 1.396 55.426 54.000 0.049 0.000 0.828 103 D CB -0.490 40.345 40.800 0.059 0.000 0.967 103 D HN 0.212 nan 8.370 nan 0.000 0.464 104 V N 0.940 120.896 119.914 0.070 0.000 2.255 104 V HA -0.229 3.891 4.120 0.000 0.000 0.247 104 V C 2.724 178.905 176.094 0.145 0.000 1.051 104 V CA 1.201 63.573 62.300 0.120 0.000 1.018 104 V CB -0.568 31.312 31.823 0.095 0.000 0.641 104 V HN 0.047 nan 8.190 nan 0.000 0.445 105 V N 0.372 120.321 119.914 0.058 0.000 2.287 105 V HA -0.300 3.821 4.120 0.000 0.000 0.248 105 V C 2.304 178.488 176.094 0.149 0.000 1.053 105 V CA 2.536 64.844 62.300 0.012 0.000 1.027 105 V CB -1.045 30.701 31.823 -0.128 0.000 0.646 105 V HN 0.609 nan 8.190 nan 0.000 0.447 106 N N 0.660 119.419 118.700 0.098 0.000 2.149 106 N HA -0.171 4.569 4.740 0.000 0.000 0.188 106 N C 1.922 177.502 175.510 0.117 0.000 1.019 106 N CA 1.658 54.766 53.050 0.097 0.000 0.857 106 N CB -0.228 38.298 38.487 0.066 0.000 0.997 106 N HN 0.602 nan 8.380 nan 0.000 0.426 107 S N -1.440 114.337 115.700 0.129 0.000 2.481 107 S HA 0.094 4.565 4.470 0.000 0.000 0.231 107 S C 1.641 176.325 174.600 0.140 0.000 0.996 107 S CA 0.782 59.053 58.200 0.119 0.000 0.942 107 S CB -0.557 62.712 63.200 0.115 0.000 0.768 107 S HN 0.500 nan 8.310 nan 0.000 0.520 108 G N 1.283 110.201 108.800 0.197 0.000 2.166 108 G HA2 -0.375 3.585 3.960 0.000 0.000 0.260 108 G HA3 -0.375 3.585 3.960 0.000 0.000 0.260 108 G C 1.066 176.004 174.900 0.063 0.000 0.986 108 G CA 1.087 46.284 45.100 0.162 0.000 0.683 108 G HN 1.266 nan 8.290 nan 0.000 0.527 109 S N -0.204 115.572 115.700 0.127 0.000 2.383 109 S HA -0.157 4.313 4.470 0.000 0.000 0.227 109 S C 2.103 176.779 174.600 0.126 0.000 1.026 109 S CA 1.885 60.160 58.200 0.125 0.000 0.981 109 S CB -0.669 62.631 63.200 0.168 0.000 0.818 109 S HN 1.524 nan 8.310 nan 0.000 0.472 110 Y N 1.445 121.784 120.300 0.064 0.000 2.384 110 Y HA -0.062 4.488 4.550 0.000 0.000 0.289 110 Y C 2.186 178.148 175.900 0.102 0.000 1.152 110 Y CA 1.229 59.373 58.100 0.073 0.000 1.258 110 Y CB -1.224 37.172 38.460 -0.107 0.000 0.979 110 Y HN 0.290 nan 8.280 nan 0.000 0.549 111 H N 0.847 119.539 119.070 -0.631 0.000 2.421 111 H HA -0.126 4.431 4.556 0.000 0.000 0.298 111 H C 0.678 175.944 175.328 -0.104 0.000 1.087 111 H CA 1.547 57.333 56.048 -0.436 0.000 1.330 111 H CB -0.326 29.187 29.762 -0.415 0.000 1.388 111 H HN 0.569 nan 8.280 nan 0.000 0.526 112 Q N -0.721 119.129 119.800 0.083 0.000 2.451 112 Q HA -0.153 4.187 4.340 0.000 0.000 0.305 112 Q C -0.111 175.921 176.000 0.053 0.000 1.345 112 Q CA 0.077 55.925 55.803 0.075 0.000 0.854 112 Q CB -1.326 27.457 28.738 0.074 0.000 1.162 112 Q HN 0.457 nan 8.270 nan 0.000 0.440 113 A N 0.893 123.734 122.820 0.035 0.000 2.548 113 A HA 0.384 4.704 4.320 0.000 0.000 0.247 113 A C 0.280 177.871 177.584 0.012 0.000 1.067 113 A CA 0.465 52.506 52.037 0.006 0.000 0.757 113 A CB 0.224 19.200 19.000 -0.040 0.000 0.996 113 A HN 0.433 nan 8.150 nan 0.000 0.504 114 I N 3.342 123.923 120.570 0.020 0.000 2.533 114 I HA 0.349 4.519 4.170 0.000 0.000 0.290 114 I C -0.854 175.275 176.117 0.020 0.000 1.056 114 I CA -0.567 60.745 61.300 0.020 0.000 1.057 114 I CB 1.828 39.844 38.000 0.027 0.000 1.240 114 I HN 0.381 nan 8.210 nan 0.000 0.423 115 L N 4.586 125.816 121.223 0.012 0.000 2.386 115 L HA 0.520 4.860 4.340 0.000 0.000 0.271 115 L C -1.097 175.780 176.870 0.012 0.000 0.993 115 L CA -0.567 54.280 54.840 0.011 0.000 0.819 115 L CB 2.093 44.151 42.059 -0.000 0.000 1.294 115 L HN 0.489 nan 8.230 nan 0.000 0.414 116 D N 1.544 121.954 120.400 0.016 0.000 2.349 116 D HA 0.241 4.882 4.640 0.000 0.000 0.232 116 D C -0.071 176.235 176.300 0.010 0.000 1.071 116 D CA -0.136 53.872 54.000 0.013 0.000 0.832 116 D CB 2.005 42.815 40.800 0.016 0.000 1.086 116 D HN 0.371 nan 8.370 nan 0.000 0.504 117 T N 4.752 119.310 114.554 0.007 0.000 2.853 117 T HA 0.198 4.548 4.350 0.000 0.000 0.298 117 T C -1.918 172.786 174.700 0.006 0.000 0.978 117 T CA -0.882 61.221 62.100 0.005 0.000 1.152 117 T CB 0.842 69.711 68.868 0.002 0.000 0.914 117 T HN 0.236 nan 8.240 nan 0.000 0.539 118 P HA 0.205 nan 4.420 nan 0.000 0.272 118 P C -0.497 176.806 177.300 0.005 0.000 1.240 118 P CA -0.505 62.599 63.100 0.007 0.000 0.791 118 P CB 0.591 32.295 31.700 0.007 0.000 0.978 119 N N 1.283 119.986 118.700 0.005 0.000 2.685 119 N HA 0.165 4.905 4.740 0.000 0.000 0.252 119 N C -1.992 173.520 175.510 0.004 0.000 1.261 119 N CA -2.063 50.989 53.050 0.004 0.000 0.768 119 N CB 0.587 39.076 38.487 0.003 0.000 1.304 119 N HN 0.090 nan 8.380 nan 0.000 0.536 120 P HA -0.062 nan 4.420 nan 0.000 0.225 120 P C 0.540 177.842 177.300 0.003 0.000 1.148 120 P CA 1.099 64.201 63.100 0.004 0.000 0.779 120 P CB 0.075 31.777 31.700 0.004 0.000 0.780 121 T N -3.899 110.657 114.554 0.003 0.000 3.223 121 T HA 0.194 4.544 4.350 0.000 0.000 0.259 121 T C 0.662 175.364 174.700 0.002 0.000 1.015 121 T CA -0.593 61.508 62.100 0.002 0.000 0.908 121 T CB -0.295 68.574 68.868 0.002 0.000 1.054 121 T HN -0.018 nan 8.240 nan 0.000 0.567 122 R N 1.165 121.667 120.500 0.003 0.000 2.390 122 R HA 0.638 4.979 4.340 0.000 0.000 0.291 122 R C -0.524 175.778 176.300 0.002 0.000 1.070 122 R CA -0.262 55.840 56.100 0.003 0.000 1.014 122 R CB 0.533 30.835 30.300 0.003 0.000 1.007 122 R HN 0.405 nan 8.270 nan 0.000 0.466 123 A N 5.025 127.847 122.820 0.002 0.000 2.340 123 A HA 0.478 4.798 4.320 0.000 0.000 0.331 123 A C -1.846 175.739 177.584 0.002 0.000 1.140 123 A CA -1.488 50.550 52.037 0.002 0.000 0.801 123 A CB 1.179 20.180 19.000 0.002 0.000 1.234 123 A HN 0.757 nan 8.150 nan 0.000 0.469 124 P HA 0.070 nan 4.420 nan 0.000 0.215 124 P C -0.257 177.044 177.300 0.002 0.000 1.157 124 P CA 0.840 63.941 63.100 0.002 0.000 0.859 124 P CB 0.058 31.759 31.700 0.002 0.000 0.786 125 L N 0.814 122.039 121.223 0.003 0.000 2.325 125 L HA 0.430 4.771 4.340 0.000 0.000 0.278 125 L C -2.324 174.548 176.870 0.004 0.000 1.023 125 L CA -2.617 52.225 54.840 0.003 0.000 0.811 125 L CB 1.653 43.714 42.059 0.003 0.000 1.249 125 L HN -0.138 nan 8.230 nan 0.000 0.431 126 P HA 0.035 nan 4.420 nan 0.000 0.272 126 P C -1.276 176.027 177.300 0.005 0.000 1.223 126 P CA -0.502 62.601 63.100 0.004 0.000 0.784 126 P CB 0.984 32.686 31.700 0.005 0.000 0.923 127 K N 3.582 123.986 120.400 0.006 0.000 2.262 127 K HA 0.289 4.610 4.320 0.000 0.000 0.282 127 K C -2.022 174.583 176.600 0.008 0.000 1.066 127 K CA -2.189 54.102 56.287 0.007 0.000 0.901 127 K CB 0.374 32.878 32.500 0.006 0.000 1.089 127 K HN 0.330 nan 8.250 nan 0.000 0.476 128 P HA 0.010 nan 4.420 nan 0.000 0.274 128 P C -0.923 176.387 177.300 0.016 0.000 1.246 128 P CA -0.293 62.815 63.100 0.013 0.000 0.795 128 P CB 0.675 32.383 31.700 0.014 0.000 1.006 129 D N 1.486 121.897 120.400 0.019 0.000 2.336 129 D HA 0.276 4.916 4.640 0.000 0.000 0.249 129 D C -0.508 175.812 176.300 0.033 0.000 1.213 129 D CA -0.053 53.960 54.000 0.021 0.000 0.870 129 D CB -0.379 40.432 40.800 0.019 0.000 1.076 129 D HN 0.211 nan 8.370 nan 0.000 0.483 130 I N 4.200 124.791 120.570 0.035 0.000 2.465 130 I HA 0.432 4.602 4.170 0.000 0.000 0.291 130 I C 0.128 176.281 176.117 0.059 0.000 1.014 130 I CA -0.840 60.490 61.300 0.051 0.000 1.093 130 I CB 1.740 39.764 38.000 0.039 0.000 1.267 130 I HN 0.109 nan 8.210 nan 0.000 0.431 131 R N 5.679 126.238 120.500 0.099 0.000 2.621 131 R HA 0.692 5.033 4.340 0.000 0.000 0.284 131 R C -1.117 175.299 176.300 0.192 0.000 0.998 131 R CA -1.017 55.141 56.100 0.096 0.000 0.895 131 R CB 2.945 33.272 30.300 0.045 0.000 1.195 131 R HN 0.676 nan 8.270 nan 0.000 0.450 132 R N 1.060 121.647 120.500 0.146 0.000 2.795 132 R HA 0.482 4.823 4.340 0.000 0.000 0.275 132 R C -1.211 175.178 176.300 0.149 0.000 0.981 132 R CA -1.001 55.216 56.100 0.195 0.000 0.917 132 R CB 2.163 32.533 30.300 0.117 0.000 1.202 132 R HN 0.786 nan 8.270 nan 0.000 0.469 133 Q N 0.759 120.681 119.800 0.203 0.000 2.565 133 Q HA 0.351 4.691 4.340 0.000 0.000 0.294 133 Q C -1.289 174.822 176.000 0.185 0.000 1.005 133 Q CA -1.263 54.631 55.803 0.152 0.000 0.771 133 Q CB 1.939 30.736 28.738 0.098 0.000 1.486 133 Q HN 0.523 nan 8.270 nan 0.000 0.422 134 Q N 1.284 121.193 119.800 0.182 0.000 2.230 134 Q HA 0.608 4.948 4.340 0.000 0.000 0.253 134 Q C -0.351 175.792 176.000 0.239 0.000 0.919 134 Q CA -0.442 55.482 55.803 0.202 0.000 0.908 134 Q CB 2.023 30.898 28.738 0.228 0.000 1.245 134 Q HN 0.726 nan 8.270 nan 0.000 0.437 135 I N -2.364 118.339 120.570 0.221 0.000 2.934 135 I HA 0.784 4.954 4.170 0.000 0.000 0.306 135 I C -0.458 175.774 176.117 0.192 0.000 1.110 135 I CA -1.485 59.946 61.300 0.219 0.000 1.019 135 I CB 1.979 40.096 38.000 0.194 0.000 1.227 135 I HN 0.512 nan 8.210 nan 0.000 0.434 136 A N 3.902 126.823 122.820 0.170 0.000 2.540 136 A HA 0.296 4.617 4.320 0.000 0.000 0.239 136 A C 0.922 178.598 177.584 0.153 0.000 1.061 136 A CA -0.156 51.973 52.037 0.153 0.000 0.758 136 A CB 0.107 19.173 19.000 0.111 0.000 0.991 136 A HN 0.891 nan 8.150 nan 0.000 0.502 137 L N 2.041 123.371 121.223 0.178 0.000 2.141 137 L HA 0.183 4.524 4.340 0.000 0.000 0.209 137 L C 1.528 178.476 176.870 0.131 0.000 1.094 137 L CA 1.368 56.306 54.840 0.163 0.000 0.763 137 L CB -0.610 41.577 42.059 0.213 0.000 0.908 137 L HN 1.126 nan 8.230 nan 0.000 0.437 138 G N -1.818 107.057 108.800 0.125 0.000 2.293 138 G HA2 -0.056 3.904 3.960 0.000 0.000 0.282 138 G HA3 -0.056 3.904 3.960 0.000 0.000 0.282 138 G C -2.950 171.989 174.900 0.065 0.000 1.299 138 G CA -1.131 44.025 45.100 0.094 0.000 1.018 138 G HN -0.213 nan 8.290 nan 0.000 0.478 139 P HA 0.407 nan 4.420 nan 0.000 0.265 139 P C -0.280 177.000 177.300 -0.034 0.000 1.193 139 P CA -0.059 63.025 63.100 -0.027 0.000 0.765 139 P CB 1.095 32.767 31.700 -0.046 0.000 0.823 140 V N 2.997 122.840 119.914 -0.118 0.000 2.540 140 V HA 0.629 4.749 4.120 0.000 0.000 0.302 140 V C 0.181 176.172 176.094 -0.172 0.000 1.035 140 V CA -0.851 61.352 62.300 -0.163 0.000 0.873 140 V CB 1.739 33.283 31.823 -0.465 0.000 0.992 140 V HN 0.589 nan 8.190 nan 0.000 0.428 141 A N 4.496 127.276 122.820 -0.068 0.000 2.290 141 A HA 0.817 5.137 4.320 0.000 0.000 0.310 141 A C -0.676 176.891 177.584 -0.027 0.000 1.202 141 A CA -0.421 51.578 52.037 -0.065 0.000 0.837 141 A CB 1.063 20.102 19.000 0.065 0.000 1.139 141 A HN 0.696 nan 8.150 nan 0.000 0.509 142 V N 2.647 122.481 119.914 -0.134 0.000 2.531 142 V HA 0.464 4.584 4.120 0.000 0.000 0.301 142 V C -1.273 174.752 176.094 -0.115 0.000 1.034 142 V CA -0.268 62.015 62.300 -0.028 0.000 0.865 142 V CB 1.346 33.132 31.823 -0.063 0.000 0.995 142 V HN 0.726 nan 8.190 nan 0.000 0.424 143 F N 2.706 122.699 119.950 0.071 0.000 2.402 143 F HA 0.699 5.226 4.527 0.001 0.000 0.355 143 F C 0.992 176.794 175.800 0.003 0.000 1.123 143 F CA -0.483 57.546 58.000 0.049 0.000 1.021 143 F CB 1.659 40.734 39.000 0.124 0.000 1.160 143 F HN 0.582 nan 8.300 nan 0.000 0.451 144 G N 1.315 110.223 108.800 0.180 0.000 2.572 144 G HA2 0.534 4.494 3.960 0.000 0.000 0.261 144 G HA3 0.534 4.494 3.960 0.000 0.000 0.261 144 G C -0.703 174.337 174.900 0.233 0.000 1.197 144 G CA -0.583 44.647 45.100 0.216 0.000 0.870 144 G HN 0.850 nan 8.290 nan 0.000 0.548 145 A N -0.006 122.945 122.820 0.217 0.000 2.327 145 A HA 0.520 4.840 4.320 0.000 0.000 0.283 145 A C 1.554 179.191 177.584 0.088 0.000 1.127 145 A CA 0.341 52.451 52.037 0.122 0.000 0.810 145 A CB 0.850 19.901 19.000 0.085 0.000 1.066 145 A HN 1.332 nan 8.150 nan 0.000 0.492 146 S N 1.531 117.154 115.700 -0.129 0.000 2.414 146 S HA -0.145 4.325 4.470 0.000 0.000 0.227 146 S C 1.289 175.821 174.600 -0.112 0.000 1.022 146 S CA 1.040 59.049 58.200 -0.318 0.000 0.958 146 S CB -0.440 62.468 63.200 -0.486 0.000 0.797 146 S HN 0.883 nan 8.310 nan 0.000 0.493 147 N N 0.791 119.462 118.700 -0.049 0.000 2.494 147 N HA 0.013 4.754 4.740 0.000 0.000 0.182 147 N C -0.443 174.896 175.510 -0.285 0.000 1.076 147 N CA 0.340 53.357 53.050 -0.055 0.000 0.908 147 N CB -0.472 38.125 38.487 0.183 0.000 0.967 147 N HN 0.501 nan 8.380 nan 0.000 0.449 148 F N 1.008 120.853 119.950 -0.175 0.000 2.710 148 F HA 0.388 4.915 4.527 0.000 0.000 0.345 148 F C -1.736 174.008 175.800 -0.093 0.000 1.362 148 F CA -2.080 55.843 58.000 -0.129 0.000 1.175 148 F CB 1.800 40.740 39.000 -0.100 0.000 1.561 148 F HN -0.147 nan 8.300 nan 0.000 0.593 149 P HA -0.146 nan 4.420 nan 0.000 0.224 149 P C 0.877 178.014 177.300 -0.273 0.000 1.142 149 P CA 1.529 64.284 63.100 -0.575 0.000 0.778 149 P CB 0.667 31.910 31.700 -0.763 0.000 0.764 150 L N -1.391 119.805 121.223 -0.046 0.000 2.675 150 L HA 0.295 4.635 4.340 0.000 0.000 0.178 150 L C 2.606 179.531 176.870 0.091 0.000 1.135 150 L CA 0.793 55.641 54.840 0.014 0.000 0.855 150 L CB -1.184 40.878 42.059 0.005 0.000 1.235 150 L HN -0.270 nan 8.230 nan 0.000 0.499 151 A N -0.451 122.485 122.820 0.193 0.000 2.121 151 A HA -0.037 4.283 4.320 0.000 0.000 0.218 151 A C 1.208 178.796 177.584 0.007 0.000 1.154 151 A CA 1.355 53.472 52.037 0.134 0.000 0.679 151 A CB -0.360 18.775 19.000 0.225 0.000 0.795 151 A HN 0.394 nan 8.150 nan 0.000 0.458 152 F N -1.362 118.627 119.950 0.065 0.000 2.805 152 F HA 0.388 4.915 4.527 0.001 0.000 0.317 152 F C 1.072 176.918 175.800 0.078 0.000 1.146 152 F CA -0.048 57.978 58.000 0.043 0.000 1.265 152 F CB 0.318 39.328 39.000 0.015 0.000 0.992 152 F HN 0.134 nan 8.300 nan 0.000 0.511 153 S N -0.573 115.247 115.700 0.200 0.000 4.341 153 S HA 0.678 5.148 4.470 0.000 0.000 0.223 153 S C 1.792 176.479 174.600 0.144 0.000 1.085 153 S CA 0.432 58.752 58.200 0.199 0.000 1.732 153 S CB -0.030 63.313 63.200 0.239 0.000 0.999 153 S HN 0.037 nan 8.310 nan 0.000 0.742 154 A N 0.856 123.775 122.820 0.164 0.000 1.915 154 A HA 0.016 4.336 4.320 0.000 0.000 0.220 154 A C 1.624 179.267 177.584 0.098 0.000 1.198 154 A CA 2.499 54.642 52.037 0.175 0.000 0.647 154 A CB -1.154 17.958 19.000 0.187 0.000 0.825 154 A HN 1.077 nan 8.150 nan 0.000 0.456 155 A N -1.057 121.766 122.820 0.005 0.000 2.637 155 A HA 0.564 4.885 4.320 0.000 0.000 0.293 155 A C 1.053 178.606 177.584 -0.052 0.000 1.216 155 A CA 0.570 52.559 52.037 -0.079 0.000 0.956 155 A CB -0.718 18.207 19.000 -0.125 0.000 1.174 155 A HN 0.798 nan 8.150 nan 0.000 0.525 156 G N -0.899 107.888 108.800 -0.022 0.000 2.525 156 G HA2 0.373 4.333 3.960 0.000 0.000 0.276 156 G HA3 0.373 4.333 3.960 0.000 0.000 0.276 156 G C 1.189 176.017 174.900 -0.120 0.000 1.388 156 G CA 0.133 45.194 45.100 -0.066 0.000 1.050 156 G HN 0.524 nan 8.290 nan 0.000 0.520 157 G N -0.686 107.976 108.800 -0.230 0.000 2.442 157 G HA2 -0.192 3.769 3.960 0.000 0.000 0.219 157 G HA3 -0.192 3.769 3.960 0.000 0.000 0.219 157 G C 1.320 176.149 174.900 -0.118 0.000 1.141 157 G CA 1.524 46.518 45.100 -0.176 0.000 0.763 157 G HN 0.482 nan 8.290 nan 0.000 0.554 158 D N 0.035 120.407 120.400 -0.046 0.000 2.097 158 D HA -0.040 4.601 4.640 0.000 0.000 0.197 158 D C 2.771 178.968 176.300 -0.172 0.000 0.984 158 D CA 1.354 55.380 54.000 0.042 0.000 0.826 158 D CB -0.616 40.268 40.800 0.140 0.000 0.973 158 D HN 0.193 nan 8.370 nan 0.000 0.460 159 T N 0.734 115.202 114.554 -0.144 0.000 2.708 159 T HA -0.114 4.236 4.350 0.000 0.000 0.266 159 T C 1.994 176.561 174.700 -0.222 0.000 1.037 159 T CA 1.578 63.583 62.100 -0.159 0.000 1.146 159 T CB -0.323 68.531 68.868 -0.024 0.000 0.865 159 T HN 0.178 nan 8.240 nan 0.000 0.435 160 A N 1.957 124.645 122.820 -0.219 0.000 1.883 160 A HA -0.140 4.180 4.320 0.000 0.000 0.217 160 A C 2.597 179.844 177.584 -0.563 0.000 1.186 160 A CA 2.397 54.278 52.037 -0.261 0.000 0.624 160 A CB -0.981 17.957 19.000 -0.103 0.000 0.822 160 A HN 0.619 nan 8.150 nan 0.000 0.444 161 S N 0.022 115.206 115.700 -0.861 0.000 2.402 161 S HA 0.104 4.574 4.470 0.000 0.000 0.229 161 S C 2.066 176.416 174.600 -0.417 0.000 1.021 161 S CA 1.232 58.813 58.200 -1.031 0.000 0.974 161 S CB -0.603 62.149 63.200 -0.747 0.000 0.800 161 S HN 0.868 nan 8.310 nan 0.000 0.484 162 A N 2.169 124.656 122.820 -0.556 0.000 1.898 162 A HA 0.212 4.533 4.320 0.000 0.000 0.216 162 A C 2.305 179.704 177.584 -0.308 0.000 1.181 162 A CA 1.218 52.788 52.037 -0.778 0.000 0.620 162 A CB -0.838 17.463 19.000 -1.165 0.000 0.819 162 A HN 0.513 nan 8.150 nan 0.000 0.442 163 L N -0.692 120.414 121.223 -0.196 0.000 2.083 163 L HA -0.188 4.152 4.340 0.000 0.000 0.209 163 L C 3.085 179.905 176.870 -0.084 0.000 1.083 163 L CA 0.980 55.854 54.840 0.057 0.000 0.752 163 L CB -0.583 41.523 42.059 0.079 0.000 0.899 163 L HN 0.442 nan 8.230 nan 0.000 0.433 164 A N 0.236 122.929 122.820 -0.212 0.000 1.902 164 A HA -0.179 4.141 4.320 0.000 0.000 0.217 164 A C 2.483 179.806 177.584 -0.436 0.000 1.181 164 A CA 1.751 53.620 52.037 -0.281 0.000 0.623 164 A CB -0.690 18.163 19.000 -0.245 0.000 0.818 164 A HN 0.397 nan 8.150 nan 0.000 0.443 165 A N -1.965 120.655 122.820 -0.334 0.000 2.121 165 A HA 0.347 4.667 4.320 0.000 0.000 0.218 165 A C 1.843 179.278 177.584 -0.248 0.000 1.154 165 A CA 1.550 53.411 52.037 -0.293 0.000 0.679 165 A CB -0.876 18.126 19.000 0.003 0.000 0.795 165 A HN 2.005 nan 8.150 nan 0.000 0.458 166 G N -2.706 105.913 108.800 -0.301 0.000 2.135 166 G HA2 -0.175 3.786 3.960 0.000 0.000 0.183 166 G HA3 -0.175 3.786 3.960 0.000 0.000 0.183 166 G C -0.091 174.814 174.900 0.008 0.000 1.004 166 G CA -0.185 44.659 45.100 -0.426 0.000 0.677 166 G HN 0.628 nan 8.290 nan 0.000 0.512 167 C N 1.042 120.438 119.300 0.159 0.000 2.319 167 C HA 0.651 5.112 4.460 0.000 0.000 0.335 167 C C -1.479 173.633 174.990 0.205 0.000 1.274 167 C CA -1.523 57.603 59.018 0.180 0.000 1.806 167 C CB 1.463 29.194 27.740 -0.015 0.000 2.329 167 C HN 0.344 nan 8.230 nan 0.000 0.524 168 P HA 0.317 nan 4.420 nan 0.000 0.272 168 P C -0.951 176.256 177.300 -0.155 0.000 1.230 168 P CA -0.029 62.978 63.100 -0.156 0.000 0.788 168 P CB 0.533 32.137 31.700 -0.159 0.000 0.949 169 V N 3.537 123.338 119.914 -0.187 0.000 2.656 169 V HA 0.433 4.553 4.120 0.000 0.000 0.307 169 V C -0.032 175.844 176.094 -0.363 0.000 1.051 169 V CA -0.425 61.745 62.300 -0.217 0.000 0.893 169 V CB 1.755 33.523 31.823 -0.091 0.000 0.999 169 V HN 0.362 nan 8.190 nan 0.000 0.426 170 I N 4.552 124.912 120.570 -0.350 0.000 2.410 170 I HA 0.432 4.602 4.170 0.000 0.000 0.286 170 I C -0.664 175.220 176.117 -0.388 0.000 1.009 170 I CA -0.727 60.323 61.300 -0.418 0.000 1.111 170 I CB 2.007 39.819 38.000 -0.314 0.000 1.262 170 I HN 0.261 nan 8.210 nan 0.000 0.443 171 V N 6.533 126.174 119.914 -0.454 0.000 2.407 171 V HA 0.281 4.401 4.120 0.000 0.000 0.278 171 V C 0.405 176.309 176.094 -0.317 0.000 1.037 171 V CA -0.700 61.408 62.300 -0.320 0.000 0.900 171 V CB 1.648 33.375 31.823 -0.160 0.000 0.983 171 V HN 0.502 nan 8.190 nan 0.000 0.459 172 K N 4.332 124.465 120.400 -0.445 0.000 2.231 172 K HA 0.296 4.616 4.320 0.000 0.000 0.275 172 K C 0.452 176.902 176.600 -0.250 0.000 1.105 172 K CA -0.190 55.844 56.287 -0.423 0.000 0.931 172 K CB 0.670 32.679 32.500 -0.819 0.000 1.296 172 K HN 0.873 nan 8.250 nan 0.000 0.446 173 G N 3.784 112.512 108.800 -0.121 0.000 2.265 173 G HA2 -0.114 3.846 3.960 0.000 0.000 0.240 173 G HA3 -0.114 3.846 3.960 0.000 0.000 0.240 173 G C -0.092 174.761 174.900 -0.078 0.000 1.270 173 G CA -0.081 44.984 45.100 -0.058 0.000 0.901 173 G HN 0.685 nan 8.290 nan 0.000 0.507 174 H N 1.696 120.640 119.070 -0.210 0.000 2.886 174 H HA 0.031 4.587 4.556 0.000 0.000 0.329 174 H C 1.911 177.062 175.328 -0.295 0.000 1.044 174 H CA 0.866 56.752 56.048 -0.270 0.000 1.456 174 H CB 1.047 30.553 29.762 -0.426 0.000 1.464 174 H HN 0.559 nan 8.280 nan 0.000 0.573 175 T N 1.065 115.598 114.554 -0.034 0.000 3.051 175 T HA -0.028 4.322 4.350 0.000 0.000 0.269 175 T C 1.869 176.670 174.700 0.168 0.000 1.127 175 T CA 0.618 62.761 62.100 0.072 0.000 1.107 175 T CB -0.064 68.752 68.868 -0.086 0.000 0.898 175 T HN 0.518 nan 8.240 nan 0.000 0.517 176 A N 2.248 125.227 122.820 0.265 0.000 2.067 176 A HA 0.028 4.349 4.320 0.000 0.000 0.217 176 A C 1.405 179.001 177.584 0.021 0.000 1.156 176 A CA 0.819 52.904 52.037 0.079 0.000 0.683 176 A CB -0.504 18.443 19.000 -0.087 0.000 0.808 176 A HN 0.929 nan 8.150 nan 0.000 0.455 177 H N -3.486 115.592 119.070 0.013 0.000 2.946 177 H HA 0.223 4.779 4.556 0.000 0.000 0.217 177 H C -2.637 172.612 175.328 -0.132 0.000 1.393 177 H CA -0.776 55.236 56.048 -0.060 0.000 1.306 177 H CB -0.160 29.564 29.762 -0.064 0.000 2.062 177 H HN 0.236 nan 8.280 nan 0.000 0.520 178 P HA -0.108 nan 4.420 nan 0.000 0.217 178 P C 1.718 178.595 177.300 -0.705 0.000 1.150 178 P CA 1.801 64.516 63.100 -0.642 0.000 0.832 178 P CB -0.090 30.883 31.700 -1.211 0.000 0.787 179 G N -0.307 108.182 108.800 -0.518 0.000 2.408 179 G HA2 -0.189 3.772 3.960 0.000 0.000 0.217 179 G HA3 -0.189 3.772 3.960 0.000 0.000 0.217 179 G C 1.554 176.492 174.900 0.063 0.000 1.150 179 G CA 1.323 46.431 45.100 0.013 0.000 0.776 179 G HN 0.196 nan 8.290 nan 0.000 0.542 180 T N 1.334 115.920 114.554 0.054 0.000 2.708 180 T HA -0.109 4.242 4.350 0.000 0.000 0.266 180 T C 2.855 177.607 174.700 0.085 0.000 1.037 180 T CA 1.597 63.738 62.100 0.070 0.000 1.146 180 T CB -0.304 68.589 68.868 0.042 0.000 0.865 180 T HN 0.263 nan 8.240 nan 0.000 0.435 181 S N 1.111 116.887 115.700 0.126 0.000 2.368 181 S HA -0.165 4.305 4.470 0.000 0.000 0.225 181 S C 2.137 176.799 174.600 0.104 0.000 1.030 181 S CA 1.150 59.427 58.200 0.129 0.000 0.999 181 S CB -0.372 62.904 63.200 0.125 0.000 0.844 181 S HN 0.530 nan 8.310 nan 0.000 0.459 182 Q N 0.711 120.563 119.800 0.087 0.000 2.061 182 Q HA -0.117 4.223 4.340 0.000 0.000 0.204 182 Q C 2.068 178.133 176.000 0.109 0.000 0.984 182 Q CA 1.498 57.380 55.803 0.131 0.000 0.846 182 Q CB -0.260 28.613 28.738 0.224 0.000 0.902 182 Q HN 0.532 nan 8.270 nan 0.000 0.421 183 I N -0.096 120.529 120.570 0.092 0.000 2.226 183 I HA -0.276 3.895 4.170 0.000 0.000 0.245 183 I C 2.236 178.375 176.117 0.036 0.000 1.100 183 I CA 0.840 62.177 61.300 0.062 0.000 1.374 183 I CB -0.233 37.799 38.000 0.054 0.000 1.057 183 I HN 0.112 nan 8.210 nan 0.000 0.413 184 V N 1.047 120.981 119.914 0.033 0.000 2.407 184 V HA -0.290 3.830 4.120 0.000 0.000 0.248 184 V C 2.692 178.764 176.094 -0.036 0.000 1.055 184 V CA 1.968 64.262 62.300 -0.009 0.000 1.049 184 V CB -1.000 30.824 31.823 0.000 0.000 0.662 184 V HN 0.506 nan 8.190 nan 0.000 0.455 185 A N -0.520 122.333 122.820 0.055 0.000 1.930 185 A HA -0.217 4.103 4.320 0.000 0.000 0.217 185 A C 2.175 179.794 177.584 0.059 0.000 1.175 185 A CA 1.686 53.800 52.037 0.128 0.000 0.627 185 A CB -0.411 18.750 19.000 0.268 0.000 0.815 185 A HN 0.615 nan 8.150 nan 0.000 0.443 186 E N -0.841 119.386 120.200 0.046 0.000 2.106 186 E HA -0.166 4.185 4.350 0.000 0.000 0.192 186 E C 2.006 178.602 176.600 -0.008 0.000 0.984 186 E CA 1.182 57.599 56.400 0.028 0.000 0.806 186 E CB -0.329 29.391 29.700 0.033 0.000 0.750 186 E HN 0.698 nan 8.360 nan 0.000 0.458 187 C N 0.475 119.756 119.300 -0.032 0.000 2.446 187 C HA -0.090 4.370 4.460 0.000 0.000 0.277 187 C C 2.544 177.479 174.990 -0.093 0.000 1.275 187 C CA 0.332 59.316 59.018 -0.056 0.000 1.727 187 C CB -0.694 27.007 27.740 -0.065 0.000 2.010 187 C HN 0.404 nan 8.230 nan 0.000 0.486 188 I N 0.773 121.245 120.570 -0.164 0.000 2.315 188 I HA -0.191 3.979 4.170 0.000 0.000 0.248 188 I C 2.683 178.733 176.117 -0.112 0.000 1.117 188 I CA 1.518 62.676 61.300 -0.236 0.000 1.404 188 I CB -0.625 37.022 38.000 -0.588 0.000 1.071 188 I HN 0.482 nan 8.210 nan 0.000 0.419 189 E N 0.699 120.873 120.200 -0.043 0.000 2.077 189 E HA -0.271 4.079 4.350 0.000 0.000 0.193 189 E C 2.213 178.805 176.600 -0.013 0.000 0.989 189 E CA 1.138 57.540 56.400 0.002 0.000 0.800 189 E CB 0.119 29.835 29.700 0.028 0.000 0.746 189 E HN 0.363 nan 8.360 nan 0.000 0.452 190 Q N 0.119 119.907 119.800 -0.021 0.000 2.079 190 Q HA -0.091 4.250 4.340 0.000 0.000 0.200 190 Q C 2.064 178.051 176.000 -0.022 0.000 0.974 190 Q CA 1.495 57.288 55.803 -0.017 0.000 0.840 190 Q CB -0.481 28.247 28.738 -0.017 0.000 0.898 190 Q HN 0.391 nan 8.270 nan 0.000 0.430 191 A N 0.496 123.294 122.820 -0.036 0.000 1.902 191 A HA -0.145 4.175 4.320 0.000 0.000 0.217 191 A C 2.251 179.823 177.584 -0.021 0.000 1.181 191 A CA 1.172 53.189 52.037 -0.033 0.000 0.623 191 A CB -0.728 18.240 19.000 -0.055 0.000 0.818 191 A HN 0.355 nan 8.150 nan 0.000 0.443 192 L N -0.870 120.337 121.223 -0.027 0.000 2.093 192 L HA -0.193 4.147 4.340 0.000 0.000 0.208 192 L C 2.589 179.455 176.870 -0.006 0.000 1.085 192 L CA 1.585 56.415 54.840 -0.016 0.000 0.755 192 L CB -0.382 41.663 42.059 -0.024 0.000 0.904 192 L HN 0.368 nan 8.230 nan 0.000 0.435 193 K N -0.312 120.084 120.400 -0.007 0.000 2.025 193 K HA -0.193 4.128 4.320 0.000 0.000 0.207 193 K C 2.155 178.756 176.600 0.001 0.000 1.049 193 K CA 1.308 57.594 56.287 -0.002 0.000 0.933 193 K CB -0.135 32.364 32.500 -0.003 0.000 0.714 193 K HN 0.358 nan 8.250 nan 0.000 0.438 194 Q N 0.477 120.276 119.800 -0.001 0.000 2.124 194 Q HA -0.145 4.195 4.340 0.000 0.000 0.202 194 Q C 1.585 177.590 176.000 0.007 0.000 0.977 194 Q CA 1.064 56.868 55.803 0.002 0.000 0.850 194 Q CB 0.142 28.879 28.738 -0.001 0.000 0.901 194 Q HN 0.250 nan 8.270 nan 0.000 0.429 195 E N 0.327 120.533 120.200 0.010 0.000 2.481 195 E HA -0.050 4.300 4.350 0.000 0.000 0.195 195 E C -0.218 176.396 176.600 0.023 0.000 1.047 195 E CA 0.181 56.593 56.400 0.020 0.000 0.867 195 E CB 0.288 30.005 29.700 0.029 0.000 0.858 195 E HN 0.336 nan 8.360 nan 0.000 0.513 196 Q N 0.093 119.903 119.800 0.016 0.000 2.460 196 Q HA -0.189 4.151 4.340 0.000 0.000 0.311 196 Q C -0.630 175.383 176.000 0.022 0.000 1.396 196 Q CA 0.389 56.201 55.803 0.016 0.000 0.838 196 Q CB -1.835 26.913 28.738 0.017 0.000 1.140 196 Q HN 0.234 nan 8.270 nan 0.000 0.415 197 L N -0.470 120.764 121.223 0.019 0.000 2.323 197 L HA 0.631 4.971 4.340 0.000 0.000 0.265 197 L C -2.040 174.825 176.870 -0.009 0.000 1.012 197 L CA -2.548 52.305 54.840 0.021 0.000 0.820 197 L CB 1.347 43.432 42.059 0.043 0.000 1.334 197 L HN -0.125 nan 8.230 nan 0.000 0.427 198 P HA -0.015 nan 4.420 nan 0.000 0.264 198 P C -0.068 177.192 177.300 -0.068 0.000 1.183 198 P CA -0.124 62.950 63.100 -0.043 0.000 0.763 198 P CB 0.481 32.150 31.700 -0.051 0.000 0.807 199 Q N 2.541 122.311 119.800 -0.050 0.000 2.224 199 Q HA -0.111 4.229 4.340 0.000 0.000 0.203 199 Q C 1.876 177.834 176.000 -0.071 0.000 0.970 199 Q CA 1.494 57.271 55.803 -0.043 0.000 0.865 199 Q CB -0.677 28.046 28.738 -0.026 0.000 0.922 199 Q HN 0.577 nan 8.270 nan 0.000 0.445 200 A N 0.441 123.203 122.820 -0.097 0.000 2.225 200 A HA -0.087 4.234 4.320 0.000 0.000 0.215 200 A C 1.960 179.430 177.584 -0.190 0.000 1.164 200 A CA 0.426 52.384 52.037 -0.132 0.000 0.710 200 A CB -0.643 18.289 19.000 -0.113 0.000 0.780 200 A HN 0.307 nan 8.150 nan 0.000 0.473 201 I N -2.392 118.040 120.570 -0.230 0.000 2.394 201 I HA -0.062 4.108 4.170 0.000 0.000 0.251 201 I C 0.599 176.575 176.117 -0.235 0.000 1.136 201 I CA 0.887 61.941 61.300 -0.411 0.000 1.425 201 I CB 0.028 37.671 38.000 -0.595 0.000 1.079 201 I HN 0.430 nan 8.210 nan 0.000 0.425 202 F N 0.112 119.906 119.950 -0.259 0.000 2.574 202 F HA 0.434 4.962 4.527 0.001 0.000 0.313 202 F C -0.826 174.884 175.800 -0.150 0.000 1.130 202 F CA -0.378 57.503 58.000 -0.198 0.000 0.936 202 F CB 1.694 40.594 39.000 -0.167 0.000 1.219 202 F HN -0.400 nan 8.300 nan 0.000 0.445 203 T N 6.897 120.854 114.554 -0.996 0.000 2.921 203 T HA 0.492 4.842 4.350 0.000 0.000 0.297 203 T C -1.731 172.470 174.700 -0.832 0.000 1.013 203 T CA -0.482 61.210 62.100 -0.679 0.000 0.990 203 T CB 1.664 70.294 68.868 -0.398 0.000 1.023 203 T HN 0.615 nan 8.240 nan 0.000 0.447 204 L N 4.317 125.268 121.223 -0.453 0.000 2.296 204 L HA 0.692 5.032 4.340 0.000 0.000 0.286 204 L C -1.392 175.427 176.870 -0.085 0.000 1.023 204 L CA -0.469 54.227 54.840 -0.240 0.000 0.812 204 L CB 0.502 42.573 42.059 0.020 0.000 1.223 204 L HN 0.602 nan 8.230 nan 0.000 0.421 205 L N 4.921 126.103 121.223 -0.067 0.000 2.334 205 L HA 0.610 4.951 4.340 0.000 0.000 0.276 205 L C -0.295 176.678 176.870 0.172 0.000 1.014 205 L CA -0.687 54.232 54.840 0.132 0.000 0.815 205 L CB 1.752 43.803 42.059 -0.013 0.000 1.268 205 L HN 0.594 nan 8.230 nan 0.000 0.428 206 Q N 1.376 121.343 119.800 0.280 0.000 2.433 206 Q HA 0.814 5.154 4.340 0.000 0.000 0.279 206 Q C -0.555 175.456 176.000 0.018 0.000 1.105 206 Q CA -0.838 55.017 55.803 0.086 0.000 0.815 206 Q CB 3.151 31.947 28.738 0.098 0.000 1.403 206 Q HN 0.830 nan 8.270 nan 0.000 0.435 207 G N 1.266 110.053 108.800 -0.023 0.000 2.343 207 G HA2 0.000 3.960 3.960 0.000 0.000 0.298 207 G HA3 0.000 3.960 3.960 0.000 0.000 0.298 207 G C -0.614 173.939 174.900 -0.578 0.000 1.644 207 G CA -0.637 44.293 45.100 -0.283 0.000 0.958 207 G HN 0.609 nan 8.290 nan 0.000 0.702 208 N N -0.284 117.942 118.700 -0.791 0.000 2.235 208 N HA 0.065 4.805 4.740 0.000 0.000 0.209 208 N C 0.211 175.557 175.510 -0.272 0.000 1.122 208 N CA -0.026 52.667 53.050 -0.593 0.000 0.845 208 N CB 0.648 38.706 38.487 -0.715 0.000 1.004 208 N HN 0.650 nan 8.380 nan 0.000 0.499 209 Q N 0.623 120.309 119.800 -0.190 0.000 2.340 209 Q HA 0.329 4.669 4.340 0.000 0.000 0.259 209 Q C 0.431 176.401 176.000 -0.050 0.000 0.964 209 Q CA -0.777 54.971 55.803 -0.090 0.000 0.900 209 Q CB 1.658 30.363 28.738 -0.056 0.000 1.228 209 Q HN -0.019 nan 8.270 nan 0.000 0.449 210 R N 1.450 121.932 120.500 -0.029 0.000 2.211 210 R HA -0.174 4.167 4.340 0.000 0.000 0.240 210 R C 1.664 177.985 176.300 0.034 0.000 1.144 210 R CA 1.188 57.294 56.100 0.009 0.000 0.992 210 R CB -0.760 29.545 30.300 0.009 0.000 0.869 210 R HN 0.714 nan 8.270 nan 0.000 0.462 211 A N 1.110 123.942 122.820 0.021 0.000 2.024 211 A HA -0.164 4.156 4.320 0.000 0.000 0.220 211 A C 2.144 179.759 177.584 0.050 0.000 1.164 211 A CA 1.096 53.152 52.037 0.031 0.000 0.643 211 A CB -0.405 18.608 19.000 0.021 0.000 0.806 211 A HN 0.240 nan 8.150 nan 0.000 0.451 212 L N 0.039 121.290 121.223 0.047 0.000 1.976 212 L HA -0.030 4.310 4.340 0.000 0.000 0.209 212 L C 2.428 179.361 176.870 0.104 0.000 1.071 212 L CA 2.598 57.472 54.840 0.058 0.000 0.746 212 L CB -1.269 40.811 42.059 0.034 0.000 0.890 212 L HN 0.270 nan 8.230 nan 0.000 0.432 213 G N -1.621 107.283 108.800 0.173 0.000 2.442 213 G HA2 -0.287 3.674 3.960 0.000 0.000 0.219 213 G HA3 -0.287 3.674 3.960 0.000 0.000 0.219 213 G C 1.466 176.565 174.900 0.332 0.000 1.141 213 G CA 0.881 46.212 45.100 0.386 0.000 0.763 213 G HN 0.575 nan 8.290 nan 0.000 0.554 214 Q N 0.128 120.036 119.800 0.180 0.000 2.079 214 Q HA 0.091 4.431 4.340 0.000 0.000 0.200 214 Q C 2.980 179.048 176.000 0.114 0.000 0.974 214 Q CA 1.285 57.158 55.803 0.118 0.000 0.840 214 Q CB -0.243 28.532 28.738 0.060 0.000 0.898 214 Q HN 0.473 nan 8.270 nan 0.000 0.430 215 A N 0.605 123.488 122.820 0.104 0.000 1.930 215 A HA -0.159 4.162 4.320 0.000 0.000 0.217 215 A C 2.015 179.680 177.584 0.134 0.000 1.175 215 A CA 1.040 53.136 52.037 0.098 0.000 0.627 215 A CB -0.552 18.497 19.000 0.080 0.000 0.815 215 A HN 0.351 nan 8.150 nan 0.000 0.443 216 L N -0.080 121.226 121.223 0.138 0.000 2.017 216 L HA -0.093 4.248 4.340 0.000 0.000 0.208 216 L C 2.337 179.320 176.870 0.188 0.000 1.073 216 L CA 1.911 56.827 54.840 0.126 0.000 0.745 216 L CB -0.524 41.578 42.059 0.072 0.000 0.894 216 L HN 0.138 nan 8.230 nan 0.000 0.432 217 V N -0.948 119.117 119.914 0.253 0.000 2.626 217 V HA -0.193 3.927 4.120 0.000 0.000 0.252 217 V C 2.235 178.416 176.094 0.146 0.000 1.067 217 V CA 1.792 64.241 62.300 0.248 0.000 1.081 217 V CB -0.460 31.523 31.823 0.268 0.000 0.686 217 V HN 0.510 nan 8.190 nan 0.000 0.468 218 S N -2.395 113.373 115.700 0.113 0.000 2.575 218 S HA 0.074 4.544 4.470 0.000 0.000 0.215 218 S C 0.814 175.441 174.600 0.046 0.000 0.966 218 S CA -0.266 57.965 58.200 0.052 0.000 0.911 218 S CB -0.285 62.928 63.200 0.022 0.000 0.780 218 S HN 0.631 nan 8.310 nan 0.000 0.514 219 H N 4.099 123.181 119.070 0.020 0.000 2.929 219 H HA 0.082 4.638 4.556 0.001 0.000 0.317 219 H C -1.647 173.681 175.328 0.001 0.000 1.031 219 H CA -1.294 54.757 56.048 0.005 0.000 1.466 219 H CB 1.278 31.039 29.762 -0.001 0.000 1.482 219 H HN 0.054 nan 8.280 nan 0.000 0.561 220 P HA -0.169 nan 4.420 nan 0.000 0.218 220 P C 0.735 178.096 177.300 0.100 0.000 1.146 220 P CA 1.088 64.162 63.100 -0.044 0.000 0.813 220 P CB 0.516 32.136 31.700 -0.133 0.000 0.778 221 E N -0.731 119.662 120.200 0.322 0.000 2.435 221 E HA 0.046 4.396 4.350 0.000 0.000 0.195 221 E C 1.012 177.689 176.600 0.127 0.000 1.029 221 E CA 0.115 56.641 56.400 0.211 0.000 0.865 221 E CB -0.080 29.738 29.700 0.196 0.000 0.833 221 E HN 0.307 nan 8.360 nan 0.000 0.510 222 I N 1.973 122.633 120.570 0.150 0.000 2.471 222 I HA -0.005 4.165 4.170 0.000 0.000 0.286 222 I C 1.232 177.402 176.117 0.089 0.000 1.079 222 I CA 0.142 61.494 61.300 0.087 0.000 1.398 222 I CB 0.887 38.948 38.000 0.100 0.000 1.403 222 I HN -0.232 nan 8.210 nan 0.000 0.530 223 K N 4.496 124.950 120.400 0.089 0.000 2.358 223 K HA 0.505 4.825 4.320 0.000 0.000 0.200 223 K C 0.018 176.713 176.600 0.157 0.000 1.030 223 K CA 0.060 56.410 56.287 0.106 0.000 1.097 223 K CB 1.004 33.567 32.500 0.105 0.000 0.862 223 K HN 0.696 nan 8.250 nan 0.000 0.534 224 A N -0.140 122.800 122.820 0.199 0.000 2.583 224 A HA 0.583 4.903 4.320 0.000 0.000 0.292 224 A C -1.541 176.240 177.584 0.330 0.000 1.045 224 A CA -0.636 51.598 52.037 0.329 0.000 0.672 224 A CB 1.173 20.526 19.000 0.588 0.000 1.283 224 A HN -0.147 nan 8.150 nan 0.000 0.419 225 V N 0.076 120.217 119.914 0.378 0.000 2.789 225 V HA 0.815 4.935 4.120 0.000 0.000 0.311 225 V C 0.504 176.782 176.094 0.307 0.000 1.073 225 V CA -0.017 62.426 62.300 0.238 0.000 0.921 225 V CB 2.180 34.029 31.823 0.043 0.000 1.009 225 V HN 1.658 nan 8.190 nan 0.000 0.426 226 G N 2.324 111.322 108.800 0.330 0.000 2.478 226 G HA2 0.711 4.672 3.960 0.000 0.000 0.317 226 G HA3 0.711 4.672 3.960 0.000 0.000 0.317 226 G C -1.663 173.440 174.900 0.338 0.000 1.259 226 G CA -0.364 44.992 45.100 0.427 0.000 0.933 226 G HN 0.539 nan 8.290 nan 0.000 0.478 227 F N 1.764 121.765 119.950 0.085 0.000 2.591 227 F HA 0.724 5.251 4.527 0.001 0.000 0.309 227 F C -0.644 175.276 175.800 0.199 0.000 1.098 227 F CA -0.563 57.512 58.000 0.125 0.000 0.937 227 F CB 2.655 41.613 39.000 -0.071 0.000 1.250 227 F HN 0.388 nan 8.300 nan 0.000 0.447 228 T N 4.234 118.493 114.554 -0.492 0.000 2.965 228 T HA 0.749 5.099 4.350 0.000 0.000 0.306 228 T C -0.269 174.050 174.700 -0.634 0.000 0.991 228 T CA -0.322 61.626 62.100 -0.253 0.000 1.001 228 T CB 1.049 69.939 68.868 0.036 0.000 0.984 228 T HN 1.119 nan 8.240 nan 0.000 0.446 229 G N 1.888 110.483 108.800 -0.341 0.000 2.393 229 G HA2 0.526 4.486 3.960 0.000 0.000 0.264 229 G HA3 0.526 4.486 3.960 0.000 0.000 0.264 229 G C -0.582 174.421 174.900 0.172 0.000 1.221 229 G CA -0.213 44.793 45.100 -0.158 0.000 0.912 229 G HN 0.891 nan 8.290 nan 0.000 0.483 230 S N -0.836 114.996 115.700 0.219 0.000 2.593 230 S HA 0.391 4.861 4.470 0.000 0.000 0.269 230 S C 1.367 176.073 174.600 0.178 0.000 1.334 230 S CA 0.373 58.662 58.200 0.148 0.000 1.015 230 S CB 1.628 64.887 63.200 0.099 0.000 0.912 230 S HN 1.718 nan 8.310 nan 0.000 0.541 231 V N 2.814 122.773 119.914 0.075 0.000 2.548 231 V HA 0.105 4.225 4.120 0.000 0.000 0.249 231 V C 2.096 178.195 176.094 0.009 0.000 1.055 231 V CA 2.379 64.688 62.300 0.015 0.000 1.065 231 V CB -1.280 30.523 31.823 -0.034 0.000 0.681 231 V HN 1.066 nan 8.190 nan 0.000 0.462 232 G N -0.138 108.678 108.800 0.028 0.000 2.453 232 G HA2 -0.130 3.830 3.960 0.000 0.000 0.215 232 G HA3 -0.130 3.830 3.960 0.000 0.000 0.215 232 G C 1.576 176.467 174.900 -0.014 0.000 1.201 232 G CA 0.795 45.903 45.100 0.014 0.000 0.784 232 G HN 0.641 nan 8.290 nan 0.000 0.545 233 G N 0.613 109.421 108.800 0.014 0.000 2.402 233 G HA2 0.116 4.077 3.960 0.000 0.000 0.216 233 G HA3 0.116 4.077 3.960 0.000 0.000 0.216 233 G C 1.786 176.545 174.900 -0.235 0.000 1.162 233 G CA 1.354 46.438 45.100 -0.027 0.000 0.777 233 G HN 0.614 nan 8.290 nan 0.000 0.539 234 G N 0.692 109.311 108.800 -0.302 0.000 2.446 234 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 234 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 234 G C 1.896 176.536 174.900 -0.433 0.000 1.168 234 G CA 1.215 45.852 45.100 -0.772 0.000 0.771 234 G HN 0.434 nan 8.290 nan 0.000 0.551 235 R N 1.173 121.555 120.500 -0.197 0.000 2.092 235 R HA 0.174 4.514 4.340 0.000 0.000 0.231 235 R C 2.715 178.940 176.300 -0.125 0.000 1.119 235 R CA 1.655 57.691 56.100 -0.107 0.000 0.970 235 R CB -0.893 29.408 30.300 0.002 0.000 0.864 235 R HN 0.245 nan 8.270 nan 0.000 0.440 236 A N 0.403 123.133 122.820 -0.150 0.000 1.902 236 A HA -0.085 4.236 4.320 0.000 0.000 0.217 236 A C 2.227 179.686 177.584 -0.209 0.000 1.181 236 A CA 1.488 53.445 52.037 -0.135 0.000 0.623 236 A CB -0.594 18.346 19.000 -0.100 0.000 0.818 236 A HN 0.347 nan 8.150 nan 0.000 0.443 237 L N -2.069 118.957 121.223 -0.328 0.000 2.141 237 L HA -0.105 4.235 4.340 0.000 0.000 0.209 237 L C 2.453 178.907 176.870 -0.693 0.000 1.094 237 L CA 1.305 55.919 54.840 -0.377 0.000 0.763 237 L CB -0.504 41.346 42.059 -0.348 0.000 0.908 237 L HN 0.530 nan 8.230 nan 0.000 0.437 238 F N 1.491 120.700 119.950 -1.236 0.000 2.102 238 F HA -0.223 4.304 4.527 0.000 0.000 0.298 238 F C 2.358 177.881 175.800 -0.462 0.000 1.105 238 F CA 1.643 58.836 58.000 -1.344 0.000 1.239 238 F CB -0.259 38.184 39.000 -0.928 0.000 0.991 238 F HN 0.100 nan 8.300 nan 0.000 0.474 239 N N 0.758 119.311 118.700 -0.244 0.000 2.166 239 N HA -0.174 4.566 4.740 0.000 0.000 0.186 239 N C 1.874 177.261 175.510 -0.205 0.000 1.019 239 N CA 1.303 54.242 53.050 -0.186 0.000 0.856 239 N CB -0.770 37.678 38.487 -0.065 0.000 0.993 239 N HN 0.286 nan 8.380 nan 0.000 0.426 240 L N 1.285 122.389 121.223 -0.197 0.000 2.017 240 L HA -0.018 4.322 4.340 0.000 0.000 0.208 240 L C 2.158 178.935 176.870 -0.156 0.000 1.073 240 L CA 1.341 56.099 54.840 -0.137 0.000 0.745 240 L CB -1.200 40.802 42.059 -0.095 0.000 0.894 240 L HN 0.133 nan 8.230 nan 0.000 0.432 241 A N -1.698 120.995 122.820 -0.212 0.000 1.978 241 A HA -0.239 4.081 4.320 0.000 0.000 0.220 241 A C 1.769 179.079 177.584 -0.457 0.000 1.170 241 A CA 1.806 53.703 52.037 -0.233 0.000 0.636 241 A CB -0.853 18.074 19.000 -0.122 0.000 0.810 241 A HN 0.648 nan 8.150 nan 0.000 0.448 242 H N -1.167 117.661 119.070 -0.403 0.000 2.551 242 H HA 0.266 4.823 4.556 0.000 0.000 0.271 242 H C 1.236 176.441 175.328 -0.204 0.000 0.984 242 H CA 0.542 56.388 56.048 -0.335 0.000 1.164 242 H CB 0.355 29.819 29.762 -0.496 0.000 1.437 242 H HN 0.621 nan 8.280 nan 0.000 0.550 243 E N 0.131 120.259 120.200 -0.119 0.000 2.476 243 E HA 0.107 4.458 4.350 0.000 0.000 0.199 243 E C 0.257 176.808 176.600 -0.082 0.000 1.021 243 E CA -0.171 56.179 56.400 -0.082 0.000 0.907 243 E CB 0.605 30.261 29.700 -0.073 0.000 0.974 243 E HN 0.307 nan 8.360 nan 0.000 0.489 244 R N 1.065 121.502 120.500 -0.106 0.000 2.784 244 R HA 0.006 4.347 4.340 0.000 0.000 0.266 244 R C -1.659 174.596 176.300 -0.075 0.000 1.044 244 R CA -0.947 55.100 56.100 -0.088 0.000 1.151 244 R CB -0.107 30.134 30.300 -0.098 0.000 1.037 244 R HN -0.095 nan 8.270 nan 0.000 0.478 245 P HA -0.188 nan 4.420 nan 0.000 0.216 245 P C -0.354 176.916 177.300 -0.049 0.000 1.150 245 P CA 1.366 64.437 63.100 -0.049 0.000 0.837 245 P CB 0.229 31.902 31.700 -0.045 0.000 0.786 246 E N -0.377 119.790 120.200 -0.056 0.000 2.149 246 E HA 0.277 4.627 4.350 0.000 0.000 0.255 246 E C -2.597 173.949 176.600 -0.090 0.000 0.888 246 E CA -2.874 53.493 56.400 -0.054 0.000 0.742 246 E CB 0.891 30.571 29.700 -0.034 0.000 1.164 246 E HN -0.018 nan 8.360 nan 0.000 0.422 247 P HA 0.073 nan 4.420 nan 0.000 0.267 247 P C -0.619 176.541 177.300 -0.234 0.000 1.200 247 P CA 0.230 63.184 63.100 -0.243 0.000 0.772 247 P CB 0.404 31.977 31.700 -0.211 0.000 0.855 248 I N -0.799 119.564 120.570 -0.345 0.000 2.785 248 I HA 0.660 4.830 4.170 0.000 0.000 0.302 248 I C -2.841 173.150 176.117 -0.210 0.000 1.069 248 I CA -3.575 57.619 61.300 -0.177 0.000 1.045 248 I CB 2.202 40.176 38.000 -0.043 0.000 1.236 248 I HN 0.041 nan 8.210 nan 0.000 0.429 249 P HA 0.135 nan 4.420 nan 0.000 0.265 249 P C -1.342 175.919 177.300 -0.066 0.000 1.193 249 P CA 0.455 63.464 63.100 -0.151 0.000 0.765 249 P CB 0.111 31.709 31.700 -0.169 0.000 0.823 250 F N 4.137 123.958 119.950 -0.214 0.000 2.496 250 F HA 0.403 4.930 4.527 0.001 0.000 0.341 250 F C -1.170 174.604 175.800 -0.044 0.000 1.134 250 F CA -0.829 57.200 58.000 0.048 0.000 0.968 250 F CB 0.878 40.048 39.000 0.283 0.000 1.205 250 F HN 0.226 nan 8.300 nan 0.000 0.436 251 Y N 4.721 125.065 120.300 0.073 0.000 2.717 251 Y HA 0.553 5.103 4.550 0.001 0.000 0.329 251 Y C 0.603 176.600 175.900 0.162 0.000 1.017 251 Y CA -0.954 57.239 58.100 0.155 0.000 1.275 251 Y CB 1.225 39.711 38.460 0.042 0.000 1.109 251 Y HN 0.692 nan 8.280 nan 0.000 0.511 252 G N 1.657 110.719 108.800 0.437 0.000 2.461 252 G HA2 0.543 4.503 3.960 0.000 0.000 0.323 252 G HA3 0.543 4.503 3.960 0.000 0.000 0.323 252 G C -1.083 174.057 174.900 0.400 0.000 1.229 252 G CA -0.778 44.633 45.100 0.518 0.000 0.941 252 G HN 0.337 nan 8.290 nan 0.000 0.477 253 E N 1.890 122.318 120.200 0.380 0.000 2.055 253 E HA 0.329 4.679 4.350 0.000 0.000 0.274 253 E C 0.940 177.676 176.600 0.226 0.000 0.949 253 E CA -0.361 56.173 56.400 0.225 0.000 0.775 253 E CB 1.610 31.429 29.700 0.198 0.000 1.097 253 E HN 0.366 nan 8.360 nan 0.000 0.404 254 L N 1.306 122.602 121.223 0.121 0.000 2.463 254 L HA 0.467 4.807 4.340 0.000 0.000 0.219 254 L C 0.960 177.849 176.870 0.032 0.000 1.088 254 L CA 0.164 55.059 54.840 0.091 0.000 0.849 254 L CB 0.106 42.135 42.059 -0.049 0.000 1.012 254 L HN 0.595 nan 8.230 nan 0.000 0.468 255 G N -0.294 108.511 108.800 0.009 0.000 2.350 255 G HA2 0.500 4.460 3.960 0.000 0.000 0.304 255 G HA3 0.500 4.460 3.960 0.000 0.000 0.304 255 G C -1.974 172.948 174.900 0.036 0.000 1.421 255 G CA -0.113 45.010 45.100 0.039 0.000 0.934 255 G HN 0.255 nan 8.290 nan 0.000 0.632 256 A N -0.904 121.971 122.820 0.092 0.000 2.567 256 A HA 0.741 5.061 4.320 0.000 0.000 0.291 256 A C 0.209 177.885 177.584 0.153 0.000 1.048 256 A CA 0.069 52.170 52.037 0.105 0.000 0.661 256 A CB 0.391 19.446 19.000 0.092 0.000 1.288 256 A HN 2.201 nan 8.150 nan 0.000 0.424 257 I N -2.045 118.626 120.570 0.168 0.000 4.082 257 I HA 0.280 4.450 4.170 0.000 0.000 0.337 257 I C -0.028 176.199 176.117 0.183 0.000 1.352 257 I CA -0.268 61.142 61.300 0.184 0.000 1.097 257 I CB -0.071 38.052 38.000 0.204 0.000 1.048 257 I HN 0.486 nan 8.210 nan 0.000 0.393 258 N N 3.074 121.884 118.700 0.185 0.000 2.629 258 N HA -0.112 4.629 4.740 0.000 0.000 0.278 258 N C -2.192 173.433 175.510 0.192 0.000 1.102 258 N CA 0.522 53.688 53.050 0.193 0.000 0.759 258 N CB -0.979 37.631 38.487 0.205 0.000 0.911 258 N HN 0.423 nan 8.380 nan 0.000 0.553 259 P HA 0.014 nan 4.420 nan 0.000 0.265 259 P C -0.290 177.103 177.300 0.156 0.000 1.193 259 P CA 0.540 63.751 63.100 0.185 0.000 0.765 259 P CB 0.719 32.633 31.700 0.355 0.000 0.823 260 T N 3.984 118.523 114.554 -0.024 0.000 2.812 260 T HA 0.505 4.855 4.350 0.000 0.000 0.282 260 T C -0.584 174.016 174.700 -0.167 0.000 0.990 260 T CA -0.090 62.029 62.100 0.031 0.000 0.960 260 T CB 0.342 69.264 68.868 0.090 0.000 0.948 260 T HN 0.091 nan 8.240 nan 0.000 0.438 261 F N 2.958 122.959 119.950 0.086 0.000 2.426 261 F HA 0.582 5.110 4.527 0.000 0.000 0.348 261 F C 0.198 175.990 175.800 -0.013 0.000 1.124 261 F CA -1.162 56.853 58.000 0.026 0.000 1.008 261 F CB 0.923 39.938 39.000 0.025 0.000 1.139 261 F HN 0.328 nan 8.300 nan 0.000 0.452 262 I N 4.411 124.958 120.570 -0.038 0.000 2.382 262 I HA 0.309 4.479 4.170 0.000 0.000 0.286 262 I C -0.741 175.302 176.117 -0.124 0.000 1.002 262 I CA -0.602 60.661 61.300 -0.061 0.000 1.135 262 I CB 1.079 38.895 38.000 -0.307 0.000 1.288 262 I HN 0.341 nan 8.210 nan 0.000 0.448 263 F N 7.240 127.176 119.950 -0.024 0.000 2.371 263 F HA 0.314 4.841 4.527 0.000 0.000 0.329 263 F C -1.291 174.482 175.800 -0.044 0.000 1.107 263 F CA -1.637 56.355 58.000 -0.013 0.000 1.137 263 F CB 0.346 39.361 39.000 0.025 0.000 1.214 263 F HN 0.314 nan 8.300 nan 0.000 0.536 264 P HA -0.225 nan 4.420 nan 0.000 0.215 264 P C 1.626 178.968 177.300 0.070 0.000 1.157 264 P CA 2.420 65.555 63.100 0.058 0.000 0.874 264 P CB -0.016 31.718 31.700 0.057 0.000 0.790 265 S N -0.740 115.020 115.700 0.100 0.000 2.399 265 S HA -0.145 4.326 4.470 0.000 0.000 0.231 265 S C 2.058 176.692 174.600 0.058 0.000 1.022 265 S CA 1.225 59.462 58.200 0.062 0.000 0.983 265 S CB -1.375 61.849 63.200 0.040 0.000 0.803 265 S HN 0.128 nan 8.310 nan 0.000 0.480 266 A N 1.998 124.866 122.820 0.080 0.000 1.930 266 A HA 0.154 4.475 4.320 0.000 0.000 0.217 266 A C 2.355 179.970 177.584 0.052 0.000 1.175 266 A CA 1.493 53.568 52.037 0.065 0.000 0.627 266 A CB -0.704 18.347 19.000 0.086 0.000 0.815 266 A HN 0.601 nan 8.150 nan 0.000 0.443 267 M N -1.160 118.462 119.600 0.036 0.000 2.229 267 M HA -0.095 4.385 4.480 0.000 0.000 0.264 267 M C 2.319 178.662 176.300 0.071 0.000 1.063 267 M CA 1.157 56.492 55.300 0.058 0.000 1.114 267 M CB -0.285 32.331 32.600 0.026 0.000 1.387 267 M HN 0.337 nan 8.290 nan 0.000 0.420 268 R N 0.297 120.829 120.500 0.053 0.000 2.073 268 R HA -0.012 4.329 4.340 0.000 0.000 0.229 268 R C 2.374 178.702 176.300 0.046 0.000 1.120 268 R CA 1.419 57.546 56.100 0.046 0.000 0.967 268 R CB -0.462 29.859 30.300 0.036 0.000 0.862 268 R HN 0.346 nan 8.270 nan 0.000 0.436 269 A N 1.374 124.222 122.820 0.046 0.000 1.969 269 A HA -0.094 4.227 4.320 0.000 0.000 0.218 269 A C 0.624 178.242 177.584 0.057 0.000 1.169 269 A CA 1.090 53.154 52.037 0.045 0.000 0.635 269 A CB 0.079 19.104 19.000 0.043 0.000 0.810 269 A HN 0.132 nan 8.150 nan 0.000 0.445 270 K N -0.631 119.812 120.400 0.072 0.000 2.572 270 K HA 0.531 4.851 4.320 0.000 0.000 0.244 270 K C 0.525 177.180 176.600 0.091 0.000 0.965 270 K CA 0.200 56.538 56.287 0.085 0.000 0.943 270 K CB 1.584 34.150 32.500 0.110 0.000 1.154 270 K HN 0.162 nan 8.250 nan 0.000 0.447 271 A N 2.304 125.166 122.820 0.069 0.000 2.019 271 A HA -0.163 4.157 4.320 0.000 0.000 0.219 271 A C 1.249 178.866 177.584 0.055 0.000 1.164 271 A CA 1.704 53.777 52.037 0.060 0.000 0.644 271 A CB -0.217 18.806 19.000 0.039 0.000 0.805 271 A HN 0.788 nan 8.150 nan 0.000 0.449 272 D N -0.827 119.608 120.400 0.058 0.000 2.395 272 D HA 0.088 4.729 4.640 0.000 0.000 0.226 272 D C 1.159 177.501 176.300 0.069 0.000 1.146 272 D CA -0.284 53.739 54.000 0.037 0.000 0.830 272 D CB -0.223 40.594 40.800 0.028 0.000 0.958 272 D HN 0.208 nan 8.370 nan 0.000 0.501 273 L N 1.341 122.649 121.223 0.142 0.000 2.042 273 L HA -0.044 4.296 4.340 0.000 0.000 0.210 273 L C 2.348 179.350 176.870 0.221 0.000 1.076 273 L CA 1.833 56.831 54.840 0.264 0.000 0.749 273 L CB -0.829 41.431 42.059 0.335 0.000 0.893 273 L HN 0.161 nan 8.230 nan 0.000 0.432 274 A N -0.902 121.871 122.820 -0.079 0.000 1.933 274 A HA -0.250 4.071 4.320 0.000 0.000 0.218 274 A C 1.920 179.327 177.584 -0.294 0.000 1.175 274 A CA 1.984 53.644 52.037 -0.628 0.000 0.628 274 A CB -0.902 17.601 19.000 -0.827 0.000 0.814 274 A HN 0.550 nan 8.150 nan 0.000 0.444 275 D N -0.583 119.706 120.400 -0.185 0.000 2.117 275 D HA -0.153 4.487 4.640 0.000 0.000 0.197 275 D C 2.214 178.386 176.300 -0.214 0.000 0.987 275 D CA 1.521 55.416 54.000 -0.176 0.000 0.829 275 D CB -0.191 40.544 40.800 -0.109 0.000 0.961 275 D HN 0.593 nan 8.370 nan 0.000 0.460 276 Q N -0.679 119.024 119.800 -0.162 0.000 2.084 276 Q HA -0.146 4.195 4.340 0.000 0.000 0.202 276 Q C 1.906 177.449 176.000 -0.761 0.000 0.978 276 Q CA 0.772 56.392 55.803 -0.305 0.000 0.844 276 Q CB -0.176 28.575 28.738 0.022 0.000 0.898 276 Q HN 0.319 nan 8.270 nan 0.000 0.426 277 F N 1.041 120.496 119.950 -0.824 0.000 2.069 277 F HA -0.227 4.301 4.527 0.000 0.000 0.298 277 F C 1.961 177.388 175.800 -0.623 0.000 1.113 277 F CA 1.222 58.640 58.000 -0.970 0.000 1.214 277 F CB -0.647 38.169 39.000 -0.306 0.000 0.978 277 F HN -0.200 nan 8.300 nan 0.000 0.474 278 V N 0.842 120.313 119.914 -0.737 0.000 2.392 278 V HA -0.300 3.821 4.120 0.000 0.000 0.249 278 V C 2.808 178.571 176.094 -0.551 0.000 1.059 278 V CA 1.815 63.684 62.300 -0.717 0.000 1.051 278 V CB -1.715 29.837 31.823 -0.451 0.000 0.658 278 V HN 0.535 nan 8.190 nan 0.000 0.455 279 A N -0.875 121.662 122.820 -0.472 0.000 1.930 279 A HA -0.214 4.106 4.320 0.000 0.000 0.217 279 A C 2.552 179.886 177.584 -0.416 0.000 1.175 279 A CA 2.134 53.946 52.037 -0.375 0.000 0.627 279 A CB -0.677 18.141 19.000 -0.303 0.000 0.815 279 A HN 0.481 nan 8.150 nan 0.000 0.443 280 S N -0.041 115.332 115.700 -0.544 0.000 2.355 280 S HA -0.175 4.295 4.470 0.000 0.000 0.222 280 S C 2.164 176.539 174.600 -0.375 0.000 1.031 280 S CA 1.774 59.704 58.200 -0.450 0.000 0.993 280 S CB -0.501 62.398 63.200 -0.502 0.000 0.859 280 S HN 0.680 nan 8.310 nan 0.000 0.453 281 M N 0.807 120.133 119.600 -0.456 0.000 2.476 281 M HA 0.080 4.560 4.480 0.000 0.000 0.262 281 M C 1.509 177.625 176.300 -0.306 0.000 1.079 281 M CA 1.652 56.737 55.300 -0.359 0.000 1.104 281 M CB -0.719 31.567 32.600 -0.522 0.000 1.409 281 M HN 0.334 nan 8.290 nan 0.000 0.467 282 T N -2.572 111.783 114.554 -0.332 0.000 3.054 282 T HA 0.338 4.688 4.350 0.000 0.000 0.255 282 T C 0.554 175.116 174.700 -0.230 0.000 1.035 282 T CA -0.482 61.463 62.100 -0.258 0.000 0.941 282 T CB -0.096 68.624 68.868 -0.246 0.000 1.026 282 T HN 0.440 nan 8.240 nan 0.000 0.533 283 M N 2.358 121.782 119.600 -0.294 0.000 2.252 283 M HA 0.363 4.844 4.480 0.000 0.000 0.348 283 M C 1.259 177.473 176.300 -0.144 0.000 1.334 283 M CA 1.342 56.453 55.300 -0.316 0.000 1.071 283 M CB -0.112 32.120 32.600 -0.614 0.000 1.763 283 M HN 0.585 nan 8.290 nan 0.000 0.452 284 G N 3.718 112.532 108.800 0.023 0.000 2.283 284 G HA2 -0.285 3.676 3.960 0.000 0.000 0.280 284 G HA3 -0.285 3.676 3.960 0.000 0.000 0.280 284 G C 0.438 175.336 174.900 -0.003 0.000 1.029 284 G CA 0.059 45.243 45.100 0.140 0.000 0.840 284 G HN 1.108 nan 8.290 nan 0.000 0.505 285 C N -2.246 117.003 119.300 -0.086 0.000 4.454 285 C HA 0.009 4.469 4.460 0.000 0.000 0.298 285 C C 2.407 177.264 174.990 -0.221 0.000 1.384 285 C CA 1.384 60.306 59.018 -0.160 0.000 2.002 285 C CB -1.808 25.830 27.740 -0.169 0.000 1.249 285 C HN 2.729 nan 8.230 nan 0.000 0.783 286 G N -0.510 108.186 108.800 -0.172 0.000 2.155 286 G HA2 -0.320 3.641 3.960 0.000 0.000 0.257 286 G HA3 -0.320 3.641 3.960 0.000 0.000 0.257 286 G C 0.138 174.864 174.900 -0.291 0.000 0.983 286 G CA 0.719 45.701 45.100 -0.196 0.000 0.676 286 G HN 0.851 nan 8.290 nan 0.000 0.528 287 Q N -0.491 119.169 119.800 -0.235 0.000 2.642 287 Q HA 0.495 4.836 4.340 0.000 0.000 0.319 287 Q C -0.558 175.494 176.000 0.087 0.000 1.030 287 Q CA -0.044 55.479 55.803 -0.468 0.000 0.943 287 Q CB 0.078 28.646 28.738 -0.282 0.000 1.323 287 Q HN 0.419 nan 8.270 nan 0.000 0.419 288 F N -0.739 119.210 119.950 -0.001 0.000 2.495 288 F HA 0.145 4.673 4.527 0.000 0.000 0.327 288 F C 1.230 177.192 175.800 0.270 0.000 1.103 288 F CA -1.633 56.504 58.000 0.229 0.000 0.949 288 F CB 1.053 40.155 39.000 0.169 0.000 1.142 288 F HN 0.266 nan 8.300 nan 0.000 0.457 289 C N -1.517 118.017 119.300 0.390 0.000 2.432 289 C HA -0.041 4.420 4.460 0.000 0.000 0.282 289 C C 1.871 177.037 174.990 0.293 0.000 1.388 289 C CA 0.873 60.079 59.018 0.314 0.000 1.777 289 C CB -1.958 25.886 27.740 0.172 0.000 1.882 289 C HN 0.870 nan 8.230 nan 0.000 0.520 290 T N -2.396 112.367 114.554 0.348 0.000 3.122 290 T HA 0.118 4.468 4.350 0.000 0.000 0.250 290 T C 0.471 175.343 174.700 0.287 0.000 1.067 290 T CA -0.205 62.083 62.100 0.313 0.000 0.966 290 T CB -0.299 68.777 68.868 0.347 0.000 1.002 290 T HN 0.661 nan 8.240 nan 0.000 0.542 291 K N 3.500 124.068 120.400 0.281 0.000 2.484 291 K HA 0.087 4.407 4.320 0.000 0.000 0.280 291 K C -2.401 174.321 176.600 0.203 0.000 1.013 291 K CA -1.527 54.874 56.287 0.189 0.000 1.029 291 K CB 0.409 32.990 32.500 0.134 0.000 0.902 291 K HN 0.104 nan 8.250 nan 0.000 0.481 292 P HA 0.022 nan 4.420 nan 0.000 0.268 292 P C 0.125 177.576 177.300 0.252 0.000 1.282 292 P CA 0.022 63.303 63.100 0.301 0.000 0.880 292 P CB 0.739 32.737 31.700 0.497 0.000 0.971 293 G N 2.739 111.652 108.800 0.188 0.000 2.683 293 G HA2 0.123 4.083 3.960 0.000 0.000 0.213 293 G HA3 0.123 4.083 3.960 0.000 0.000 0.213 293 G C 0.064 175.011 174.900 0.078 0.000 1.142 293 G CA 0.207 45.397 45.100 0.150 0.000 0.793 293 G HN 0.517 nan 8.290 nan 0.000 0.534 294 V N 0.232 120.136 119.914 -0.017 0.000 2.817 294 V HA 0.580 4.701 4.120 0.000 0.000 0.303 294 V C -1.553 174.248 176.094 -0.489 0.000 1.151 294 V CA -0.684 61.430 62.300 -0.309 0.000 0.929 294 V CB 2.366 33.895 31.823 -0.489 0.000 1.030 294 V HN -0.102 nan 8.190 nan 0.000 0.427 295 V N 7.308 126.843 119.914 -0.632 0.000 2.448 295 V HA 0.585 4.706 4.120 0.000 0.000 0.295 295 V C -0.725 174.858 176.094 -0.852 0.000 1.025 295 V CA -0.445 61.473 62.300 -0.636 0.000 0.859 295 V CB 1.617 33.096 31.823 -0.574 0.000 0.988 295 V HN 0.724 nan 8.190 nan 0.000 0.431 296 F N 3.302 122.887 119.950 -0.609 0.000 2.415 296 F HA 0.828 5.355 4.527 0.000 0.000 0.348 296 F C 0.514 176.054 175.800 -0.434 0.000 1.119 296 F CA -0.259 57.404 58.000 -0.562 0.000 1.069 296 F CB 1.767 40.330 39.000 -0.728 0.000 1.124 296 F HN 0.600 nan 8.300 nan 0.000 0.472 297 A N 3.479 126.179 122.820 -0.201 0.000 2.566 297 A HA 0.833 5.153 4.320 0.000 0.000 0.292 297 A C -1.226 176.258 177.584 -0.166 0.000 1.112 297 A CA -0.824 51.068 52.037 -0.242 0.000 0.707 297 A CB 1.274 20.071 19.000 -0.338 0.000 1.302 297 A HN 0.694 nan 8.150 nan 0.000 0.409 298 L N 0.662 121.785 121.223 -0.165 0.000 2.439 298 L HA 0.322 4.663 4.340 0.000 0.000 0.261 298 L C 0.996 177.824 176.870 -0.070 0.000 1.153 298 L CA -0.391 54.387 54.840 -0.102 0.000 0.808 298 L CB 0.704 42.708 42.059 -0.090 0.000 1.126 298 L HN 0.911 nan 8.230 nan 0.000 0.460 299 N N 0.824 119.502 118.700 -0.038 0.000 3.178 299 N HA 0.033 4.773 4.740 0.000 0.000 0.300 299 N C -0.557 174.946 175.510 -0.012 0.000 1.242 299 N CA -0.280 52.759 53.050 -0.020 0.000 1.192 299 N CB 0.143 38.628 38.487 -0.003 0.000 1.463 299 N HN 0.708 nan 8.380 nan 0.000 0.539 300 T N -1.850 112.693 114.554 -0.017 0.000 2.926 300 T HA 0.408 4.758 4.350 0.000 0.000 0.289 300 T C -2.061 172.640 174.700 0.001 0.000 1.054 300 T CA -1.733 60.364 62.100 -0.005 0.000 1.015 300 T CB 1.709 70.574 68.868 -0.005 0.000 1.167 300 T HN -0.122 nan 8.240 nan 0.000 0.526 301 P HA -0.013 nan 4.420 nan 0.000 0.218 301 P C 1.106 178.421 177.300 0.026 0.000 1.148 301 P CA 0.962 64.072 63.100 0.017 0.000 0.822 301 P CB 0.053 31.763 31.700 0.017 0.000 0.784 302 E N -1.173 119.041 120.200 0.023 0.000 2.085 302 E HA -0.138 4.213 4.350 0.000 0.000 0.194 302 E C 1.969 178.602 176.600 0.054 0.000 0.994 302 E CA 1.629 58.052 56.400 0.038 0.000 0.801 302 E CB -1.312 28.401 29.700 0.022 0.000 0.743 302 E HN 0.210 nan 8.360 nan 0.000 0.453 303 T N 0.306 114.863 114.554 0.006 0.000 2.777 303 T HA -0.176 4.174 4.350 0.000 0.000 0.266 303 T C 1.807 176.551 174.700 0.073 0.000 1.040 303 T CA 1.384 63.479 62.100 -0.009 0.000 1.141 303 T CB -0.195 68.627 68.868 -0.076 0.000 0.868 303 T HN 0.059 nan 8.240 nan 0.000 0.444 304 Q N 1.521 121.350 119.800 0.048 0.000 2.084 304 Q HA 0.076 4.416 4.340 0.000 0.000 0.202 304 Q C 2.249 178.287 176.000 0.064 0.000 0.978 304 Q CA 1.872 57.703 55.803 0.047 0.000 0.844 304 Q CB -0.738 28.015 28.738 0.026 0.000 0.898 304 Q HN 0.485 nan 8.270 nan 0.000 0.426 305 A N -0.479 122.385 122.820 0.074 0.000 1.898 305 A HA -0.113 4.207 4.320 0.000 0.000 0.216 305 A C 2.033 179.674 177.584 0.096 0.000 1.181 305 A CA 1.233 53.310 52.037 0.066 0.000 0.620 305 A CB -1.013 18.024 19.000 0.062 0.000 0.819 305 A HN 0.544 nan 8.150 nan 0.000 0.442 306 F N 0.785 120.723 119.950 -0.021 0.000 2.095 306 F HA -0.208 4.320 4.527 0.000 0.000 0.298 306 F C 2.001 177.790 175.800 -0.018 0.000 1.104 306 F CA 1.985 59.972 58.000 -0.022 0.000 1.232 306 F CB -0.203 38.770 39.000 -0.045 0.000 0.987 306 F HN 0.189 nan 8.300 nan 0.000 0.475 307 I N 0.293 120.996 120.570 0.221 0.000 2.163 307 I HA -0.305 3.865 4.170 0.000 0.000 0.243 307 I C 2.269 178.376 176.117 -0.016 0.000 1.085 307 I CA 1.845 63.203 61.300 0.098 0.000 1.347 307 I CB -0.628 37.422 38.000 0.084 0.000 1.044 307 I HN 0.247 nan 8.210 nan 0.000 0.408 308 E N 0.131 120.323 120.200 -0.013 0.000 2.110 308 E HA -0.172 4.178 4.350 0.000 0.000 0.193 308 E C 2.133 178.690 176.600 -0.073 0.000 0.988 308 E CA 1.727 58.103 56.400 -0.039 0.000 0.804 308 E CB -0.154 29.534 29.700 -0.021 0.000 0.745 308 E HN 0.476 nan 8.360 nan 0.000 0.458 309 T N 0.923 115.418 114.554 -0.098 0.000 2.737 309 T HA -0.115 4.235 4.350 0.000 0.000 0.265 309 T C 2.034 176.626 174.700 -0.180 0.000 1.038 309 T CA 1.191 63.210 62.100 -0.135 0.000 1.144 309 T CB -0.195 68.578 68.868 -0.159 0.000 0.866 309 T HN 0.245 nan 8.240 nan 0.000 0.434 310 A N 1.364 124.040 122.820 -0.240 0.000 1.902 310 A HA -0.174 4.146 4.320 0.000 0.000 0.217 310 A C 2.275 179.765 177.584 -0.156 0.000 1.181 310 A CA 1.600 53.503 52.037 -0.223 0.000 0.623 310 A CB -0.707 18.184 19.000 -0.182 0.000 0.818 310 A HN 0.531 nan 8.150 nan 0.000 0.443 311 Q N -0.816 118.911 119.800 -0.122 0.000 2.096 311 Q HA -0.155 4.185 4.340 0.000 0.000 0.204 311 Q C 2.463 178.397 176.000 -0.110 0.000 0.982 311 Q CA 1.693 57.427 55.803 -0.115 0.000 0.850 311 Q CB -0.238 28.442 28.738 -0.096 0.000 0.901 311 Q HN 0.678 nan 8.270 nan 0.000 0.422 312 S N 0.248 115.887 115.700 -0.101 0.000 2.368 312 S HA -0.087 4.383 4.470 0.000 0.000 0.224 312 S C 1.874 176.416 174.600 -0.097 0.000 1.029 312 S CA 0.761 58.908 58.200 -0.087 0.000 0.988 312 S CB -0.122 63.032 63.200 -0.077 0.000 0.838 312 S HN 0.286 nan 8.310 nan 0.000 0.462 313 L N 1.127 122.277 121.223 -0.121 0.000 2.046 313 L HA -0.077 4.263 4.340 0.000 0.000 0.208 313 L C 2.435 179.226 176.870 -0.132 0.000 1.077 313 L CA 0.813 55.574 54.840 -0.132 0.000 0.747 313 L CB -0.549 41.408 42.059 -0.169 0.000 0.896 313 L HN 0.336 nan 8.230 nan 0.000 0.432 314 I N 0.171 120.654 120.570 -0.145 0.000 2.163 314 I HA -0.286 3.884 4.170 0.000 0.000 0.243 314 I C 2.684 178.746 176.117 -0.092 0.000 1.085 314 I CA 1.598 62.817 61.300 -0.135 0.000 1.347 314 I CB -1.073 36.833 38.000 -0.155 0.000 1.044 314 I HN 0.325 nan 8.210 nan 0.000 0.408 315 R N 0.203 120.654 120.500 -0.082 0.000 2.170 315 R HA -0.230 4.110 4.340 0.000 0.000 0.242 315 R C 1.906 178.178 176.300 -0.045 0.000 1.145 315 R CA 1.189 57.258 56.100 -0.052 0.000 0.984 315 R CB -0.298 29.971 30.300 -0.051 0.000 0.869 315 R HN 0.365 nan 8.270 nan 0.000 0.455 316 Q N 0.298 120.062 119.800 -0.060 0.000 2.319 316 Q HA 0.030 4.371 4.340 0.000 0.000 0.202 316 Q C -0.159 175.807 176.000 -0.056 0.000 0.896 316 Q CA 0.102 55.872 55.803 -0.054 0.000 0.942 316 Q CB 0.485 29.188 28.738 -0.058 0.000 1.083 316 Q HN 0.055 nan 8.270 nan 0.000 0.510 317 Q N 0.352 120.113 119.800 -0.065 0.000 2.349 317 Q HA 0.011 4.352 4.340 0.000 0.000 0.287 317 Q C -0.350 175.620 176.000 -0.049 0.000 1.044 317 Q CA 0.272 56.034 55.803 -0.068 0.000 0.918 317 Q CB 0.945 29.635 28.738 -0.080 0.000 1.242 317 Q HN 0.191 nan 8.270 nan 0.000 0.405 318 S N 2.556 118.226 115.700 -0.050 0.000 2.565 318 S HA 0.280 4.750 4.470 0.000 0.000 0.276 318 S C -2.189 172.391 174.600 -0.033 0.000 1.326 318 S CA -1.195 56.984 58.200 -0.035 0.000 1.045 318 S CB 0.335 63.516 63.200 -0.031 0.000 0.918 318 S HN 0.243 nan 8.310 nan 0.000 0.505 319 P HA 0.105 nan 4.420 nan 0.000 0.265 319 P C -1.071 176.212 177.300 -0.028 0.000 1.187 319 P CA 0.149 63.237 63.100 -0.019 0.000 0.766 319 P CB 0.438 32.134 31.700 -0.007 0.000 0.820 320 S N 0.998 116.668 115.700 -0.051 0.000 2.509 320 S HA 0.484 4.955 4.470 0.000 0.000 0.297 320 S C -0.299 174.253 174.600 -0.080 0.000 1.118 320 S CA -0.527 57.625 58.200 -0.079 0.000 1.074 320 S CB 1.030 64.143 63.200 -0.144 0.000 1.038 320 S HN 0.297 nan 8.310 nan 0.000 0.498 321 T N 3.751 118.254 114.554 -0.084 0.000 2.788 321 T HA 0.428 4.779 4.350 0.000 0.000 0.296 321 T C 0.190 174.789 174.700 -0.168 0.000 1.009 321 T CA -0.445 61.585 62.100 -0.118 0.000 0.949 321 T CB 0.082 68.862 68.868 -0.146 0.000 0.946 321 T HN 0.343 nan 8.240 nan 0.000 0.453 322 L N 2.916 124.052 121.223 -0.145 0.000 2.479 322 L HA 0.395 4.736 4.340 0.000 0.000 0.249 322 L C 1.848 178.648 176.870 -0.117 0.000 1.178 322 L CA -0.749 54.015 54.840 -0.127 0.000 0.811 322 L CB 0.288 42.295 42.059 -0.087 0.000 1.187 322 L HN 0.568 nan 8.230 nan 0.000 0.480 323 L N -0.295 120.895 121.223 -0.055 0.000 2.042 323 L HA -0.101 4.239 4.340 0.000 0.000 0.210 323 L C 1.031 177.876 176.870 -0.041 0.000 1.076 323 L CA 1.533 56.341 54.840 -0.054 0.000 0.749 323 L CB -0.591 41.474 42.059 0.009 0.000 0.893 323 L HN 0.862 nan 8.230 nan 0.000 0.432 324 T N -6.845 107.713 114.554 0.005 0.000 2.864 324 T HA 0.353 4.704 4.350 0.000 0.000 0.299 324 T C -2.402 172.319 174.700 0.036 0.000 1.166 324 T CA -1.641 60.473 62.100 0.023 0.000 1.007 324 T CB 1.779 70.681 68.868 0.057 0.000 1.219 324 T HN -0.338 nan 8.240 nan 0.000 0.506 325 P HA 0.033 nan 4.420 nan 0.000 0.216 325 P C 1.764 179.101 177.300 0.062 0.000 1.150 325 P CA 1.544 64.670 63.100 0.044 0.000 0.837 325 P CB -0.328 31.398 31.700 0.044 0.000 0.786 326 G N -0.570 108.271 108.800 0.069 0.000 2.408 326 G HA2 -0.207 3.754 3.960 0.000 0.000 0.217 326 G HA3 -0.207 3.754 3.960 0.000 0.000 0.217 326 G C 1.524 176.486 174.900 0.103 0.000 1.150 326 G CA 0.410 45.557 45.100 0.078 0.000 0.776 326 G HN 0.235 nan 8.290 nan 0.000 0.542 327 I N -0.070 120.569 120.570 0.115 0.000 2.315 327 I HA -0.073 4.097 4.170 0.000 0.000 0.248 327 I C 2.807 179.037 176.117 0.188 0.000 1.117 327 I CA 0.743 62.146 61.300 0.171 0.000 1.404 327 I CB -0.145 37.973 38.000 0.197 0.000 1.071 327 I HN 0.123 nan 8.210 nan 0.000 0.419 328 R N 1.117 121.695 120.500 0.129 0.000 2.070 328 R HA -0.195 4.146 4.340 0.000 0.000 0.232 328 R C 1.887 178.284 176.300 0.161 0.000 1.138 328 R CA 2.119 58.294 56.100 0.126 0.000 0.936 328 R CB -0.253 30.086 30.300 0.066 0.000 0.839 328 R HN 0.252 nan 8.270 nan 0.000 0.429 329 D N 0.093 120.562 120.400 0.114 0.000 2.149 329 D HA -0.117 4.523 4.640 0.000 0.000 0.198 329 D C 1.986 178.352 176.300 0.110 0.000 0.990 329 D CA 1.423 55.480 54.000 0.096 0.000 0.839 329 D CB -0.181 40.661 40.800 0.070 0.000 0.948 329 D HN 0.211 nan 8.370 nan 0.000 0.460 330 S N -0.177 115.604 115.700 0.134 0.000 2.368 330 S HA -0.170 4.300 4.470 0.000 0.000 0.225 330 S C 1.802 176.500 174.600 0.164 0.000 1.030 330 S CA 0.602 58.883 58.200 0.137 0.000 0.999 330 S CB -0.332 62.959 63.200 0.150 0.000 0.844 330 S HN 0.348 nan 8.310 nan 0.000 0.459 331 Y N 2.370 122.732 120.300 0.104 0.000 2.089 331 Y HA -0.217 4.333 4.550 0.001 0.000 0.282 331 Y C 2.440 178.399 175.900 0.097 0.000 1.139 331 Y CA 1.830 59.995 58.100 0.109 0.000 1.123 331 Y CB -0.682 37.835 38.460 0.095 0.000 0.980 331 Y HN 0.249 nan 8.280 nan 0.000 0.493 332 Q N -0.747 119.111 119.800 0.096 0.000 2.061 332 Q HA -0.247 4.094 4.340 0.000 0.000 0.204 332 Q C 2.572 178.535 176.000 -0.062 0.000 0.984 332 Q CA 1.996 57.786 55.803 -0.021 0.000 0.846 332 Q CB -0.498 28.276 28.738 0.059 0.000 0.902 332 Q HN 0.471 nan 8.270 nan 0.000 0.421 333 S N 0.296 115.993 115.700 -0.006 0.000 2.368 333 S HA -0.209 4.261 4.470 0.000 0.000 0.225 333 S C 1.892 176.491 174.600 -0.001 0.000 1.030 333 S CA 1.435 59.638 58.200 0.005 0.000 0.999 333 S CB 0.000 63.218 63.200 0.029 0.000 0.844 333 S HN 0.344 nan 8.310 nan 0.000 0.459 334 Q N 0.289 120.078 119.800 -0.019 0.000 2.123 334 Q HA -0.044 4.296 4.340 0.000 0.000 0.199 334 Q C 2.392 178.373 176.000 -0.031 0.000 0.966 334 Q CA 1.691 57.484 55.803 -0.016 0.000 0.845 334 Q CB -0.360 28.378 28.738 -0.000 0.000 0.907 334 Q HN 0.708 nan 8.270 nan 0.000 0.439 335 V N -2.666 117.191 119.914 -0.095 0.000 2.427 335 V HA -0.135 3.985 4.120 0.000 0.000 0.248 335 V C 2.098 178.362 176.094 0.283 0.000 1.051 335 V CA 1.177 63.544 62.300 0.111 0.000 1.048 335 V CB -0.789 31.025 31.823 -0.014 0.000 0.666 335 V HN 0.084 nan 8.190 nan 0.000 0.456 336 V N 0.632 120.626 119.914 0.134 0.000 2.427 336 V HA -0.200 3.920 4.120 0.000 0.000 0.248 336 V C 2.924 179.103 176.094 0.141 0.000 1.051 336 V CA 2.333 64.719 62.300 0.145 0.000 1.048 336 V CB -0.452 31.385 31.823 0.023 0.000 0.666 336 V HN 0.690 nan 8.190 nan 0.000 0.456 337 S N -0.124 115.634 115.700 0.096 0.000 2.348 337 S HA -0.270 4.201 4.470 0.000 0.000 0.221 337 S C 2.243 176.911 174.600 0.114 0.000 1.033 337 S CA 2.051 60.306 58.200 0.090 0.000 1.010 337 S CB -0.324 62.916 63.200 0.067 0.000 0.891 337 S HN 0.537 nan 8.310 nan 0.000 0.442 338 R N 0.084 120.634 120.500 0.083 0.000 2.091 338 R HA -0.067 4.273 4.340 0.000 0.000 0.238 338 R C 2.377 178.739 176.300 0.104 0.000 1.136 338 R CA 1.612 57.720 56.100 0.013 0.000 0.959 338 R CB -1.006 29.090 30.300 -0.339 0.000 0.856 338 R HN 0.519 nan 8.270 nan 0.000 0.437 339 G N -0.486 108.491 108.800 0.294 0.000 2.448 339 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 339 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 339 G C 1.368 176.370 174.900 0.170 0.000 1.127 339 G CA 0.883 46.161 45.100 0.296 0.000 0.766 339 G HN 0.529 nan 8.290 nan 0.000 0.552 340 S N 0.064 115.859 115.700 0.158 0.000 2.522 340 S HA 0.044 4.515 4.470 0.000 0.000 0.227 340 S C 0.530 175.211 174.600 0.135 0.000 0.986 340 S CA 0.004 58.280 58.200 0.127 0.000 0.929 340 S CB 0.036 63.302 63.200 0.110 0.000 0.769 340 S HN 0.212 nan 8.310 nan 0.000 0.529 341 D N 2.798 123.299 120.400 0.168 0.000 2.368 341 D HA 0.225 4.865 4.640 0.000 0.000 0.240 341 D C -0.261 176.152 176.300 0.188 0.000 1.169 341 D CA 0.205 54.334 54.000 0.215 0.000 0.906 341 D CB 0.373 41.380 40.800 0.344 0.000 1.187 341 D HN 0.299 nan 8.370 nan 0.000 0.435 342 D N -0.639 119.886 120.400 0.209 0.000 2.283 342 D HA 0.373 5.013 4.640 0.000 0.000 0.248 342 D C 1.222 177.644 176.300 0.203 0.000 1.072 342 D CA -0.115 53.992 54.000 0.180 0.000 0.929 342 D CB 1.419 42.322 40.800 0.173 0.000 1.182 342 D HN 0.560 nan 8.370 nan 0.000 0.433 343 G N 0.985 109.891 108.800 0.175 0.000 2.136 343 G HA2 -0.245 3.715 3.960 0.000 0.000 0.242 343 G HA3 -0.245 3.715 3.960 0.000 0.000 0.242 343 G C 0.137 175.167 174.900 0.217 0.000 0.989 343 G CA 0.098 45.323 45.100 0.209 0.000 0.682 343 G HN 0.527 nan 8.290 nan 0.000 0.522 344 I N 0.035 120.670 120.570 0.107 0.000 2.607 344 I HA 0.463 4.633 4.170 0.000 0.000 0.290 344 I C -1.627 174.474 176.117 -0.028 0.000 1.129 344 I CA -1.018 60.256 61.300 -0.044 0.000 1.042 344 I CB 1.855 39.643 38.000 -0.353 0.000 1.242 344 I HN 0.034 nan 8.210 nan 0.000 0.421 345 D N 6.219 126.587 120.400 -0.054 0.000 2.163 345 D HA 0.477 5.117 4.640 0.000 0.000 0.248 345 D C -1.547 174.641 176.300 -0.187 0.000 1.035 345 D CA -0.086 53.862 54.000 -0.086 0.000 0.872 345 D CB 2.511 43.266 40.800 -0.075 0.000 1.183 345 D HN 0.313 nan 8.370 nan 0.000 0.445 346 V N 2.465 122.188 119.914 -0.317 0.000 2.789 346 V HA 0.568 4.688 4.120 0.000 0.000 0.311 346 V C -0.960 174.731 176.094 -0.672 0.000 1.073 346 V CA -0.269 61.601 62.300 -0.717 0.000 0.921 346 V CB 2.291 33.469 31.823 -1.074 0.000 1.009 346 V HN 0.666 nan 8.190 nan 0.000 0.426 347 T N 7.150 121.254 114.554 -0.751 0.000 2.812 347 T HA 0.654 5.005 4.350 0.000 0.000 0.282 347 T C -1.073 173.286 174.700 -0.569 0.000 0.990 347 T CA 0.033 61.838 62.100 -0.491 0.000 0.960 347 T CB 0.792 69.486 68.868 -0.291 0.000 0.948 347 T HN 0.414 nan 8.240 nan 0.000 0.438 348 F N 1.858 121.703 119.950 -0.175 0.000 2.507 348 F HA 0.608 5.136 4.527 0.000 0.000 0.327 348 F C 1.161 176.903 175.800 -0.097 0.000 1.068 348 F CA -0.933 56.985 58.000 -0.138 0.000 0.965 348 F CB 1.586 40.520 39.000 -0.110 0.000 1.192 348 F HN 0.567 nan 8.300 nan 0.000 0.476 349 S N 0.914 116.706 115.700 0.154 0.000 2.686 349 S HA 0.438 4.908 4.470 0.000 0.000 0.270 349 S C -0.576 174.053 174.600 0.049 0.000 1.194 349 S CA -0.944 57.288 58.200 0.053 0.000 0.990 349 S CB 0.884 64.094 63.200 0.017 0.000 1.029 349 S HN 0.508 nan 8.310 nan 0.000 0.560 350 Q N 0.576 120.383 119.800 0.012 0.000 2.278 350 Q HA 0.715 5.055 4.340 0.000 0.000 0.257 350 Q C -0.564 175.429 176.000 -0.010 0.000 0.928 350 Q CA -0.185 55.616 55.803 -0.003 0.000 0.932 350 Q CB 1.240 29.973 28.738 -0.009 0.000 1.221 350 Q HN 0.902 nan 8.270 nan 0.000 0.434 351 A N 2.816 125.623 122.820 -0.022 0.000 2.605 351 A HA 0.616 4.937 4.320 0.000 0.000 0.294 351 A C -1.260 176.307 177.584 -0.029 0.000 1.062 351 A CA -0.735 51.290 52.037 -0.020 0.000 0.682 351 A CB 1.523 20.516 19.000 -0.011 0.000 1.278 351 A HN 0.509 nan 8.150 nan 0.000 0.410 352 E N 0.890 121.079 120.200 -0.018 0.000 2.210 352 E HA 0.419 4.769 4.350 0.000 0.000 0.266 352 E C -0.410 176.186 176.600 -0.008 0.000 0.883 352 E CA -0.487 55.902 56.400 -0.018 0.000 0.761 352 E CB 2.059 31.751 29.700 -0.013 0.000 1.156 352 E HN 0.600 nan 8.360 nan 0.000 0.412 353 S N 3.056 118.751 115.700 -0.009 0.000 2.558 353 S HA 0.033 4.504 4.470 0.000 0.000 0.291 353 S C -0.857 173.747 174.600 0.007 0.000 1.306 353 S CA -0.804 57.397 58.200 0.002 0.000 1.056 353 S CB 0.346 63.547 63.200 0.001 0.000 0.836 353 S HN 0.362 nan 8.310 nan 0.000 0.504 354 P HA 0.076 nan 4.420 nan 0.000 0.234 354 P C 0.162 177.468 177.300 0.010 0.000 1.167 354 P CA 0.079 63.187 63.100 0.014 0.000 0.763 354 P CB -0.349 31.361 31.700 0.016 0.000 0.835 355 C N 1.127 120.432 119.300 0.008 0.000 2.689 355 C HA 0.307 4.768 4.460 0.000 0.000 0.409 355 C C 1.078 176.070 174.990 0.003 0.000 1.293 355 C CA -0.571 58.446 59.018 -0.001 0.000 2.136 355 C CB 0.676 28.417 27.740 0.003 0.000 2.719 355 C HN 0.225 nan 8.230 nan 0.000 0.644 356 V N 0.642 120.553 119.914 -0.006 0.000 2.919 356 V HA 0.940 5.060 4.120 0.000 0.000 0.316 356 V C -0.008 176.110 176.094 0.040 0.000 1.077 356 V CA -0.691 61.636 62.300 0.044 0.000 0.977 356 V CB 1.442 33.308 31.823 0.072 0.000 1.039 356 V HN 1.114 nan 8.190 nan 0.000 0.441 357 A N 2.232 125.120 122.820 0.114 0.000 2.303 357 A HA 0.779 5.100 4.320 0.000 0.000 0.317 357 A C 0.423 178.143 177.584 0.226 0.000 1.149 357 A CA -0.416 51.691 52.037 0.116 0.000 0.822 357 A CB 0.686 19.733 19.000 0.078 0.000 1.131 357 A HN 1.076 nan 8.150 nan 0.000 0.493 358 S N -0.129 115.646 115.700 0.124 0.000 2.592 358 S HA 0.609 5.079 4.470 0.000 0.000 0.271 358 S C 0.205 174.894 174.600 0.148 0.000 1.326 358 S CA 0.235 58.494 58.200 0.099 0.000 1.024 358 S CB 1.150 64.330 63.200 -0.033 0.000 0.921 358 S HN 1.430 nan 8.310 nan 0.000 0.527 359 A N 1.416 124.281 122.820 0.076 0.000 2.486 359 A HA 0.742 5.062 4.320 0.000 0.000 0.300 359 A C -1.628 175.785 177.584 -0.286 0.000 1.048 359 A CA -0.608 51.306 52.037 -0.205 0.000 0.696 359 A CB 1.184 20.013 19.000 -0.285 0.000 1.278 359 A HN 0.631 nan 8.150 nan 0.000 0.405 360 L N 2.047 122.982 121.223 -0.479 0.000 2.372 360 L HA 0.806 5.146 4.340 0.000 0.000 0.274 360 L C -1.750 174.854 176.870 -0.443 0.000 0.988 360 L CA -0.357 54.309 54.840 -0.290 0.000 0.833 360 L CB 0.557 42.511 42.059 -0.175 0.000 1.236 360 L HN 0.548 nan 8.230 nan 0.000 0.410 361 F N 4.178 124.008 119.950 -0.200 0.000 2.399 361 F HA 0.745 5.272 4.527 0.000 0.000 0.328 361 F C 0.158 175.834 175.800 -0.207 0.000 1.084 361 F CA -0.601 57.244 58.000 -0.259 0.000 1.053 361 F CB 1.813 40.612 39.000 -0.335 0.000 1.209 361 F HN 0.134 nan 8.300 nan 0.000 0.502 362 V N 1.143 121.036 119.914 -0.034 0.000 2.760 362 V HA 0.723 4.843 4.120 0.000 0.000 0.309 362 V C -0.338 175.719 176.094 -0.061 0.000 1.077 362 V CA -0.462 61.806 62.300 -0.055 0.000 0.910 362 V CB 2.063 33.856 31.823 -0.049 0.000 1.008 362 V HN 0.913 nan 8.190 nan 0.000 0.424 363 T N 1.854 116.388 114.554 -0.033 0.000 2.711 363 T HA 0.574 4.925 4.350 0.000 0.000 0.302 363 T C -0.715 174.047 174.700 0.103 0.000 1.373 363 T CA 0.187 62.323 62.100 0.059 0.000 1.000 363 T CB 1.970 70.909 68.868 0.118 0.000 1.483 363 T HN 1.023 nan 8.240 nan 0.000 0.499 364 S N 0.374 116.187 115.700 0.189 0.000 2.690 364 S HA 0.466 4.936 4.470 0.000 0.000 0.291 364 S C 1.563 176.314 174.600 0.251 0.000 1.138 364 S CA 0.159 58.458 58.200 0.165 0.000 1.013 364 S CB 1.311 64.599 63.200 0.146 0.000 1.053 364 S HN 1.016 nan 8.310 nan 0.000 0.539 365 S N -0.169 115.651 115.700 0.200 0.000 2.419 365 S HA -0.163 4.307 4.470 0.000 0.000 0.233 365 S C 1.507 176.298 174.600 0.318 0.000 1.016 365 S CA 1.057 59.419 58.200 0.270 0.000 0.974 365 S CB -0.707 62.598 63.200 0.176 0.000 0.786 365 S HN 0.849 nan 8.310 nan 0.000 0.492 366 E N 2.023 122.360 120.200 0.227 0.000 2.028 366 E HA -0.168 4.182 4.350 0.000 0.000 0.191 366 E C 1.884 178.606 176.600 0.203 0.000 0.988 366 E CA 1.309 57.817 56.400 0.180 0.000 0.799 366 E CB -0.359 29.419 29.700 0.130 0.000 0.755 366 E HN 0.736 nan 8.360 nan 0.000 0.447 367 N N 0.056 118.917 118.700 0.268 0.000 2.309 367 N HA -0.156 4.585 4.740 0.000 0.000 0.182 367 N C 1.602 177.285 175.510 0.288 0.000 1.018 367 N CA 0.740 53.974 53.050 0.307 0.000 0.876 367 N CB -0.213 38.521 38.487 0.412 0.000 0.972 367 N HN 0.422 nan 8.380 nan 0.000 0.434 368 W N 2.555 124.010 121.300 0.258 0.000 2.381 368 W HA -0.059 4.601 4.660 0.000 0.000 0.301 368 W C 1.408 177.981 176.519 0.090 0.000 1.205 368 W CA 0.961 58.477 57.345 0.286 0.000 1.285 368 W CB -0.113 29.547 29.460 0.334 0.000 1.133 368 W HN 0.020 nan 8.180 nan 0.000 0.521 369 R N 0.423 121.020 120.500 0.162 0.000 2.189 369 R HA -0.082 4.259 4.340 0.000 0.000 0.218 369 R C 2.116 178.322 176.300 -0.157 0.000 1.074 369 R CA 1.113 57.202 56.100 -0.019 0.000 0.991 369 R CB -0.162 30.192 30.300 0.091 0.000 0.883 369 R HN 0.174 nan 8.270 nan 0.000 0.457 370 K N -0.490 119.810 120.400 -0.166 0.000 2.361 370 K HA -0.002 4.318 4.320 0.000 0.000 0.196 370 K C -0.127 176.063 176.600 -0.683 0.000 1.039 370 K CA 0.643 56.726 56.287 -0.340 0.000 1.001 370 K CB 0.310 32.643 32.500 -0.278 0.000 0.795 370 K HN 0.225 nan 8.250 nan 0.000 0.495 371 H N 0.403 119.038 119.070 -0.725 0.000 2.418 371 H HA 0.117 4.673 4.556 0.000 0.000 0.238 371 H C -1.961 172.863 175.328 -0.840 0.000 1.403 371 H CA -1.989 53.452 56.048 -1.011 0.000 1.419 371 H CB 0.799 29.248 29.762 -2.189 0.000 1.463 371 H HN -0.005 nan 8.280 nan 0.000 0.515 372 P HA -0.184 nan 4.420 nan 0.000 0.221 372 P C 1.248 178.373 177.300 -0.290 0.000 1.145 372 P CA 1.044 63.902 63.100 -0.402 0.000 0.795 372 P CB 0.346 31.883 31.700 -0.271 0.000 0.775 373 A N -1.437 121.245 122.820 -0.230 0.000 2.216 373 A HA -0.089 4.231 4.320 0.000 0.000 0.214 373 A C 1.717 179.351 177.584 0.084 0.000 1.160 373 A CA 0.487 52.483 52.037 -0.067 0.000 0.725 373 A CB -1.434 17.551 19.000 -0.026 0.000 0.784 373 A HN 0.168 nan 8.150 nan 0.000 0.472 374 W N -0.103 121.080 121.300 -0.195 0.000 2.678 374 W HA 0.093 4.754 4.660 0.000 0.000 0.256 374 W C 1.908 178.354 176.519 -0.121 0.000 1.280 374 W CA 0.517 57.760 57.345 -0.169 0.000 1.345 374 W CB -0.505 28.877 29.460 -0.130 0.000 1.118 374 W HN 0.652 nan 8.180 nan 0.000 0.629 375 E N 0.831 121.000 120.200 -0.051 0.000 2.427 375 E HA -0.087 4.264 4.350 0.000 0.000 0.196 375 E C 0.106 176.791 176.600 0.142 0.000 1.028 375 E CA 0.320 56.783 56.400 0.105 0.000 0.864 375 E CB 0.041 29.751 29.700 0.016 0.000 0.813 375 E HN 0.166 nan 8.360 nan 0.000 0.514 376 E N 2.112 122.368 120.200 0.093 0.000 2.376 376 E HA -0.045 4.305 4.350 0.000 0.000 0.266 376 E C -0.173 176.493 176.600 0.111 0.000 1.009 376 E CA -0.025 56.429 56.400 0.089 0.000 0.902 376 E CB 0.761 30.501 29.700 0.068 0.000 0.972 376 E HN 0.258 nan 8.360 nan 0.000 0.439 377 E N 3.702 123.976 120.200 0.123 0.000 2.398 377 E HA 0.079 4.430 4.350 0.000 0.000 0.263 377 E C -0.736 175.961 176.600 0.161 0.000 1.046 377 E CA -0.107 56.385 56.400 0.153 0.000 0.908 377 E CB 0.586 30.391 29.700 0.174 0.000 0.963 377 E HN 0.433 nan 8.360 nan 0.000 0.431 378 I N 4.984 125.668 120.570 0.189 0.000 2.493 378 I HA 0.139 4.309 4.170 0.000 0.000 0.279 378 I C -0.758 175.561 176.117 0.337 0.000 1.045 378 I CA -0.844 60.590 61.300 0.224 0.000 1.106 378 I CB 0.823 38.905 38.000 0.137 0.000 1.216 378 I HN 0.557 nan 8.210 nan 0.000 0.459 379 F N 6.371 126.444 119.950 0.205 0.000 2.506 379 F HA 0.512 5.039 4.527 0.000 0.000 0.369 379 F C 0.843 176.768 175.800 0.208 0.000 1.114 379 F CA 0.732 58.842 58.000 0.183 0.000 1.121 379 F CB -0.080 38.999 39.000 0.131 0.000 1.104 379 F HN 0.541 nan 8.300 nan 0.000 0.564 380 G N 5.823 114.476 108.800 -0.244 0.000 2.341 380 G HA2 0.140 4.101 3.960 0.000 0.000 0.293 380 G HA3 0.140 4.101 3.960 0.000 0.000 0.293 380 G C -3.164 171.564 174.900 -0.287 0.000 1.298 380 G CA -0.931 43.896 45.100 -0.455 0.000 0.868 380 G HN 0.207 nan 8.290 nan 0.000 0.540 381 P HA 0.152 nan 4.420 nan 0.000 0.231 381 P C -0.594 176.728 177.300 0.037 0.000 1.756 381 P CA 0.520 63.513 63.100 -0.178 0.000 0.990 381 P CB 0.565 32.130 31.700 -0.224 0.000 1.973 382 Q N 0.766 120.656 119.800 0.149 0.000 2.389 382 Q HA 0.611 4.951 4.340 0.000 0.000 0.277 382 Q C -1.841 174.259 176.000 0.167 0.000 1.082 382 Q CA -0.683 55.267 55.803 0.246 0.000 0.810 382 Q CB 2.574 31.603 28.738 0.485 0.000 1.374 382 Q HN 0.106 nan 8.270 nan 0.000 0.422 383 S N 2.284 118.094 115.700 0.184 0.000 2.625 383 S HA 0.772 5.242 4.470 0.000 0.000 0.271 383 S C -2.050 172.695 174.600 0.241 0.000 1.161 383 S CA -0.575 57.742 58.200 0.194 0.000 0.820 383 S CB 1.315 64.637 63.200 0.203 0.000 1.137 383 S HN 0.587 nan 8.310 nan 0.000 0.470 384 L N 2.765 124.072 121.223 0.139 0.000 2.386 384 L HA 0.748 5.088 4.340 0.000 0.000 0.271 384 L C -1.644 175.153 176.870 -0.121 0.000 0.993 384 L CA -0.343 54.511 54.840 0.024 0.000 0.819 384 L CB 1.507 43.514 42.059 -0.087 0.000 1.294 384 L HN 0.720 nan 8.230 nan 0.000 0.414 385 I N 5.267 125.760 120.570 -0.128 0.000 2.378 385 I HA 0.450 4.620 4.170 0.000 0.000 0.291 385 I C -0.876 175.075 176.117 -0.277 0.000 0.992 385 I CA -0.888 60.270 61.300 -0.236 0.000 1.154 385 I CB 1.926 39.861 38.000 -0.107 0.000 1.315 385 I HN 0.283 nan 8.210 nan 0.000 0.448 386 V N 7.360 127.009 119.914 -0.441 0.000 2.334 386 V HA 0.252 4.372 4.120 0.000 0.000 0.281 386 V C 0.075 176.058 176.094 -0.185 0.000 1.016 386 V CA -0.716 61.384 62.300 -0.333 0.000 0.832 386 V CB 1.660 33.116 31.823 -0.612 0.000 0.999 386 V HN 0.380 nan 8.190 nan 0.000 0.439 387 V N 4.647 124.513 119.914 -0.081 0.000 2.427 387 V HA 0.214 4.334 4.120 0.000 0.000 0.268 387 V C 0.354 176.446 176.094 -0.003 0.000 1.046 387 V CA -0.254 62.016 62.300 -0.050 0.000 0.970 387 V CB 0.697 32.505 31.823 -0.025 0.000 1.001 387 V HN 0.965 nan 8.190 nan 0.000 0.476 388 C N 3.572 122.865 119.300 -0.012 0.000 2.364 388 C HA 0.290 4.750 4.460 0.000 0.000 0.356 388 C C 1.965 176.957 174.990 0.005 0.000 1.201 388 C CA -0.493 58.532 59.018 0.013 0.000 2.227 388 C CB 1.122 28.865 27.740 0.005 0.000 2.387 388 C HN 1.036 nan 8.230 nan 0.000 0.546 389 E N 1.592 121.804 120.200 0.021 0.000 2.077 389 E HA -0.159 4.192 4.350 0.000 0.000 0.193 389 E C 0.455 177.060 176.600 0.008 0.000 0.989 389 E CA 1.712 58.123 56.400 0.018 0.000 0.800 389 E CB 0.187 29.904 29.700 0.029 0.000 0.746 389 E HN 0.914 nan 8.360 nan 0.000 0.452 390 N N -3.453 115.248 118.700 0.002 0.000 3.339 390 N HA 0.012 4.752 4.740 0.000 0.000 0.275 390 N C 0.172 175.675 175.510 -0.012 0.000 1.514 390 N CA -0.129 52.920 53.050 -0.001 0.000 0.879 390 N CB 0.881 39.376 38.487 0.013 0.000 1.557 390 N HN -0.187 nan 8.380 nan 0.000 0.524 391 V N -0.181 119.734 119.914 0.001 0.000 2.343 391 V HA -0.165 3.955 4.120 0.000 0.000 0.247 391 V C 2.449 178.548 176.094 0.008 0.000 1.051 391 V CA 2.588 64.892 62.300 0.005 0.000 1.036 391 V CB -1.445 30.433 31.823 0.092 0.000 0.654 391 V HN 0.849 nan 8.190 nan 0.000 0.451 392 A N 0.129 122.959 122.820 0.017 0.000 1.940 392 A HA -0.321 3.999 4.320 0.000 0.000 0.219 392 A C 2.080 179.667 177.584 0.004 0.000 1.176 392 A CA 2.245 54.289 52.037 0.012 0.000 0.631 392 A CB -0.691 18.318 19.000 0.016 0.000 0.814 392 A HN 0.591 nan 8.150 nan 0.000 0.446 393 D N -0.824 119.580 120.400 0.006 0.000 2.117 393 D HA -0.182 4.458 4.640 0.000 0.000 0.197 393 D C 1.927 178.223 176.300 -0.007 0.000 0.987 393 D CA 1.684 55.691 54.000 0.012 0.000 0.829 393 D CB -0.296 40.517 40.800 0.022 0.000 0.961 393 D HN 0.443 nan 8.370 nan 0.000 0.460 394 M N -0.460 119.126 119.600 -0.023 0.000 2.117 394 M HA -0.134 4.346 4.480 0.000 0.000 0.262 394 M C 2.014 178.282 176.300 -0.053 0.000 1.065 394 M CA 1.262 56.541 55.300 -0.035 0.000 1.114 394 M CB -0.022 32.553 32.600 -0.041 0.000 1.361 394 M HN 0.081 nan 8.290 nan 0.000 0.408 395 L N -1.004 120.186 121.223 -0.056 0.000 2.093 395 L HA -0.176 4.164 4.340 0.000 0.000 0.208 395 L C 2.697 179.534 176.870 -0.055 0.000 1.085 395 L CA 1.371 56.164 54.840 -0.078 0.000 0.755 395 L CB -0.871 41.161 42.059 -0.045 0.000 0.904 395 L HN 0.415 nan 8.230 nan 0.000 0.435 396 S N 0.306 115.991 115.700 -0.024 0.000 2.382 396 S HA -0.151 4.319 4.470 0.000 0.000 0.228 396 S C 2.011 176.616 174.600 0.007 0.000 1.027 396 S CA 1.139 59.338 58.200 -0.002 0.000 0.991 396 S CB -0.204 63.006 63.200 0.017 0.000 0.823 396 S HN 0.338 nan 8.310 nan 0.000 0.469 397 L N 1.693 122.907 121.223 -0.015 0.000 2.093 397 L HA -0.053 4.288 4.340 0.000 0.000 0.208 397 L C 2.941 179.795 176.870 -0.027 0.000 1.085 397 L CA 1.412 56.241 54.840 -0.017 0.000 0.755 397 L CB -0.773 41.169 42.059 -0.195 0.000 0.904 397 L HN 0.532 nan 8.230 nan 0.000 0.435 398 S N -0.958 114.708 115.700 -0.056 0.000 2.419 398 S HA -0.154 4.316 4.470 0.000 0.000 0.233 398 S C 1.717 176.324 174.600 0.012 0.000 1.016 398 S CA 0.749 58.942 58.200 -0.011 0.000 0.974 398 S CB -0.282 62.805 63.200 -0.188 0.000 0.786 398 S HN 0.381 nan 8.310 nan 0.000 0.492 399 E N 1.903 122.103 120.200 0.001 0.000 2.204 399 E HA -0.066 4.284 4.350 0.000 0.000 0.195 399 E C 1.722 178.347 176.600 0.042 0.000 0.990 399 E CA 1.251 57.658 56.400 0.013 0.000 0.821 399 E CB -0.317 29.386 29.700 0.006 0.000 0.750 399 E HN 0.909 nan 8.360 nan 0.000 0.477 400 M N -0.583 119.058 119.600 0.069 0.000 2.560 400 M HA 0.308 4.788 4.480 0.000 0.000 0.297 400 M C 0.003 176.385 176.300 0.135 0.000 1.201 400 M CA -0.071 55.283 55.300 0.089 0.000 0.973 400 M CB 0.154 32.807 32.600 0.088 0.000 1.401 400 M HN -0.229 nan 8.290 nan 0.000 0.497 401 L N 1.920 123.232 121.223 0.150 0.000 2.371 401 L HA 0.649 4.989 4.340 0.000 0.000 0.272 401 L C 0.805 177.769 176.870 0.156 0.000 1.124 401 L CA -0.645 54.316 54.840 0.202 0.000 0.816 401 L CB 1.154 43.349 42.059 0.226 0.000 1.129 401 L HN 0.379 nan 8.230 nan 0.000 0.448 402 A N 2.105 125.024 122.820 0.166 0.000 2.296 402 A HA 0.549 4.869 4.320 0.000 0.000 0.264 402 A C 0.567 178.223 177.584 0.120 0.000 1.097 402 A CA 0.059 52.173 52.037 0.127 0.000 0.811 402 A CB 0.162 19.233 19.000 0.117 0.000 1.072 402 A HN 0.783 nan 8.150 nan 0.000 0.495 403 G N -0.454 108.404 108.800 0.096 0.000 2.484 403 G HA2 0.438 4.398 3.960 0.000 0.000 0.235 403 G HA3 0.438 4.398 3.960 0.000 0.000 0.235 403 G C 0.097 175.039 174.900 0.071 0.000 1.282 403 G CA 0.812 45.959 45.100 0.078 0.000 0.857 403 G HN 1.151 nan 8.290 nan 0.000 0.571 404 S N 0.736 116.481 115.700 0.075 0.000 2.579 404 S HA 0.374 4.845 4.470 0.000 0.000 0.272 404 S C 1.163 175.798 174.600 0.058 0.000 1.141 404 S CA -0.847 57.402 58.200 0.082 0.000 0.843 404 S CB 1.314 64.593 63.200 0.131 0.000 1.122 404 S HN 0.415 nan 8.310 nan 0.000 0.468 405 L N 1.701 122.951 121.223 0.045 0.000 2.056 405 L HA 0.105 4.445 4.340 0.000 0.000 0.207 405 L C 1.320 178.226 176.870 0.060 0.000 1.078 405 L CA 1.423 56.263 54.840 -0.000 0.000 0.749 405 L CB -0.394 41.642 42.059 -0.038 0.000 0.901 405 L HN 0.884 nan 8.230 nan 0.000 0.433 406 T N -3.435 111.185 114.554 0.109 0.000 2.838 406 T HA 0.785 5.135 4.350 0.000 0.000 0.292 406 T C -0.916 173.878 174.700 0.156 0.000 1.113 406 T CA -0.453 61.727 62.100 0.133 0.000 1.008 406 T CB 2.596 71.560 68.868 0.159 0.000 1.259 406 T HN 0.053 nan 8.240 nan 0.000 0.520 407 A N 0.905 123.821 122.820 0.159 0.000 2.459 407 A HA 0.726 5.046 4.320 0.000 0.000 0.296 407 A C -0.415 177.273 177.584 0.173 0.000 1.039 407 A CA -0.773 51.386 52.037 0.204 0.000 0.698 407 A CB 1.559 20.678 19.000 0.198 0.000 1.261 407 A HN 0.916 nan 8.150 nan 0.000 0.405 408 T N 2.186 116.858 114.554 0.196 0.000 2.887 408 T HA 0.713 5.063 4.350 0.000 0.000 0.288 408 T C -0.522 174.243 174.700 0.109 0.000 1.021 408 T CA -0.184 61.959 62.100 0.073 0.000 1.000 408 T CB 1.019 69.877 68.868 -0.017 0.000 1.034 408 T HN 0.481 nan 8.240 nan 0.000 0.467 409 I N 2.400 122.930 120.570 -0.067 0.000 2.499 409 I HA 0.334 4.505 4.170 0.000 0.000 0.288 409 I C -0.613 175.225 176.117 -0.465 0.000 1.048 409 I CA -0.855 60.428 61.300 -0.027 0.000 1.062 409 I CB 1.780 39.864 38.000 0.140 0.000 1.238 409 I HN 0.509 nan 8.210 nan 0.000 0.426 410 H N 5.281 124.238 119.070 -0.188 0.000 2.638 410 H HA 0.796 5.353 4.556 0.000 0.000 0.317 410 H C -0.675 174.576 175.328 -0.129 0.000 1.006 410 H CA -0.343 55.516 56.048 -0.316 0.000 1.222 410 H CB 1.913 31.522 29.762 -0.255 0.000 1.419 410 H HN 0.795 nan 8.280 nan 0.000 0.489 411 A N 2.487 125.176 122.820 -0.218 0.000 2.557 411 A HA 0.638 4.959 4.320 0.000 0.000 0.292 411 A C -0.358 177.244 177.584 0.030 0.000 1.139 411 A CA -0.521 51.492 52.037 -0.041 0.000 0.665 411 A CB 1.516 20.438 19.000 -0.130 0.000 1.285 411 A HN 0.573 nan 8.150 nan 0.000 0.433 412 T N -2.825 111.759 114.554 0.050 0.000 2.888 412 T HA 0.546 4.896 4.350 0.000 0.000 0.288 412 T C 0.790 175.331 174.700 -0.264 0.000 1.063 412 T CA 0.307 62.410 62.100 0.005 0.000 1.010 412 T CB 1.535 70.376 68.868 -0.044 0.000 1.214 412 T HN 0.787 nan 8.240 nan 0.000 0.533 413 E N 0.336 120.143 120.200 -0.655 0.000 2.187 413 E HA -0.281 4.070 4.350 0.000 0.000 0.199 413 E C 1.646 177.823 176.600 -0.705 0.000 1.004 413 E CA 1.976 57.565 56.400 -1.352 0.000 0.813 413 E CB -0.158 29.098 29.700 -0.740 0.000 0.736 413 E HN 0.779 nan 8.360 nan 0.000 0.468 414 E N 0.132 120.127 120.200 -0.340 0.000 2.114 414 E HA -0.220 4.130 4.350 0.000 0.000 0.199 414 E C 1.545 178.060 176.600 -0.141 0.000 1.008 414 E CA 1.539 57.832 56.400 -0.179 0.000 0.810 414 E CB -0.062 29.581 29.700 -0.096 0.000 0.739 414 E HN 0.431 nan 8.360 nan 0.000 0.456 415 D N -0.466 119.835 120.400 -0.164 0.000 2.355 415 D HA -0.077 4.564 4.640 0.000 0.000 0.218 415 D C 1.393 177.637 176.300 -0.092 0.000 1.004 415 D CA 0.268 54.131 54.000 -0.228 0.000 0.880 415 D CB -0.036 40.376 40.800 -0.648 0.000 0.911 415 D HN 0.210 nan 8.370 nan 0.000 0.528 416 Y N 0.934 121.127 120.300 -0.178 0.000 2.173 416 Y HA -0.160 4.391 4.550 0.000 0.000 0.282 416 Y C -0.344 175.480 175.900 -0.127 0.000 1.192 416 Y CA 0.521 58.535 58.100 -0.144 0.000 1.176 416 Y CB -2.034 36.364 38.460 -0.105 0.000 0.969 416 Y HN 0.178 nan 8.280 nan 0.000 0.519 417 P HA -0.139 nan 4.420 nan 0.000 0.216 417 P C 1.396 178.696 177.300 -0.000 0.000 1.153 417 P CA 1.831 64.942 63.100 0.019 0.000 0.848 417 P CB 0.054 31.763 31.700 0.015 0.000 0.787 418 Q N -1.126 118.669 119.800 -0.009 0.000 2.137 418 Q HA -0.031 4.309 4.340 0.000 0.000 0.198 418 Q C 2.105 178.109 176.000 0.008 0.000 0.960 418 Q CA 0.897 56.723 55.803 0.037 0.000 0.847 418 Q CB -1.356 27.482 28.738 0.167 0.000 0.915 418 Q HN 0.051 nan 8.270 nan 0.000 0.448 419 V N 1.014 120.866 119.914 -0.103 0.000 2.490 419 V HA -0.257 3.864 4.120 0.000 0.000 0.250 419 V C 2.140 178.179 176.094 -0.091 0.000 1.061 419 V CA 1.938 64.182 62.300 -0.093 0.000 1.064 419 V CB -0.912 30.836 31.823 -0.126 0.000 0.670 419 V HN 0.510 nan 8.190 nan 0.000 0.461 420 S N -0.718 114.924 115.700 -0.096 0.000 2.447 420 S HA -0.183 4.287 4.470 0.000 0.000 0.233 420 S C 1.784 176.341 174.600 -0.071 0.000 1.006 420 S CA 0.785 58.924 58.200 -0.101 0.000 0.957 420 S CB -0.239 62.908 63.200 -0.088 0.000 0.773 420 S HN 0.579 nan 8.310 nan 0.000 0.507 421 Q N 0.355 120.125 119.800 -0.049 0.000 2.302 421 Q HA 0.268 4.608 4.340 0.000 0.000 0.202 421 Q C 2.057 178.017 176.000 -0.065 0.000 0.936 421 Q CA 0.507 56.284 55.803 -0.043 0.000 0.886 421 Q CB -0.511 28.214 28.738 -0.020 0.000 0.986 421 Q HN 0.548 nan 8.270 nan 0.000 0.487 422 L N 0.453 121.629 121.223 -0.077 0.000 2.095 422 L HA 0.007 4.347 4.340 0.000 0.000 0.204 422 L C 2.023 178.807 176.870 -0.143 0.000 1.080 422 L CA 1.110 55.863 54.840 -0.146 0.000 0.759 422 L CB -0.420 41.537 42.059 -0.170 0.000 0.914 422 L HN 0.052 nan 8.230 nan 0.000 0.439 423 I N 0.255 120.762 120.570 -0.106 0.000 2.151 423 I HA -0.268 3.902 4.170 0.000 0.000 0.243 423 I C -0.323 175.750 176.117 -0.073 0.000 1.080 423 I CA 1.575 62.822 61.300 -0.089 0.000 1.339 423 I CB -1.596 36.345 38.000 -0.100 0.000 1.039 423 I HN 0.252 nan 8.210 nan 0.000 0.409 424 P HA -0.153 nan 4.420 nan 0.000 0.216 424 P C 1.414 178.686 177.300 -0.045 0.000 1.150 424 P CA 1.536 64.606 63.100 -0.051 0.000 0.837 424 P CB -0.064 31.607 31.700 -0.048 0.000 0.786 425 R N -0.885 119.578 120.500 -0.062 0.000 2.090 425 R HA 0.019 4.359 4.340 0.000 0.000 0.228 425 R C 2.255 178.529 176.300 -0.042 0.000 1.110 425 R CA 1.028 57.094 56.100 -0.057 0.000 0.973 425 R CB -0.855 29.391 30.300 -0.090 0.000 0.869 425 R HN 0.240 nan 8.270 nan 0.000 0.440 426 L N 0.386 121.574 121.223 -0.059 0.000 2.240 426 L HA -0.065 4.276 4.340 0.000 0.000 0.211 426 L C 2.009 178.885 176.870 0.011 0.000 1.106 426 L CA 0.999 55.831 54.840 -0.014 0.000 0.793 426 L CB -0.310 41.733 42.059 -0.026 0.000 0.927 426 L HN 0.213 nan 8.230 nan 0.000 0.446 427 E N 0.513 120.709 120.200 -0.006 0.000 2.110 427 E HA -0.236 4.114 4.350 0.000 0.000 0.193 427 E C 1.832 178.438 176.600 0.010 0.000 0.988 427 E CA 1.180 57.580 56.400 0.001 0.000 0.804 427 E CB 0.043 29.735 29.700 -0.013 0.000 0.745 427 E HN 0.527 nan 8.360 nan 0.000 0.458 428 E N -0.088 120.117 120.200 0.008 0.000 2.358 428 E HA -0.116 4.234 4.350 0.000 0.000 0.195 428 E C 1.558 178.176 176.600 0.031 0.000 1.010 428 E CA 0.674 57.082 56.400 0.014 0.000 0.856 428 E CB 0.146 29.851 29.700 0.008 0.000 0.795 428 E HN 0.369 nan 8.360 nan 0.000 0.504 429 I N -4.106 116.490 120.570 0.044 0.000 4.327 429 I HA 0.359 4.529 4.170 0.000 0.000 0.331 429 I C 0.356 176.517 176.117 0.073 0.000 1.348 429 I CA -0.540 60.799 61.300 0.065 0.000 1.152 429 I CB 1.043 39.096 38.000 0.088 0.000 1.151 429 I HN -0.185 nan 8.210 nan 0.000 0.410 430 A N 0.585 123.444 122.820 0.065 0.000 2.454 430 A HA 0.787 5.107 4.320 0.000 0.000 0.302 430 A C 0.932 178.548 177.584 0.053 0.000 1.079 430 A CA -0.154 51.924 52.037 0.069 0.000 0.731 430 A CB 1.103 20.159 19.000 0.093 0.000 1.299 430 A HN 0.175 nan 8.150 nan 0.000 0.413 431 G N -0.249 108.580 108.800 0.049 0.000 2.494 431 G HA2 0.245 4.205 3.960 0.000 0.000 0.216 431 G HA3 0.245 4.205 3.960 0.000 0.000 0.216 431 G C 0.709 175.645 174.900 0.060 0.000 1.140 431 G CA 0.640 45.767 45.100 0.045 0.000 0.801 431 G HN 0.789 nan 8.290 nan 0.000 0.536 432 R N -0.338 120.206 120.500 0.074 0.000 2.538 432 R HA 0.531 4.872 4.340 0.000 0.000 0.292 432 R C -1.429 174.922 176.300 0.086 0.000 1.008 432 R CA -0.649 55.502 56.100 0.084 0.000 0.896 432 R CB 1.083 31.450 30.300 0.113 0.000 1.187 432 R HN 0.011 nan 8.270 nan 0.000 0.440 433 L N 4.673 125.938 121.223 0.070 0.000 2.295 433 L HA 0.570 4.910 4.340 0.000 0.000 0.285 433 L C -0.578 176.334 176.870 0.070 0.000 1.035 433 L CA -1.190 53.691 54.840 0.070 0.000 0.806 433 L CB 1.858 43.946 42.059 0.047 0.000 1.214 433 L HN 0.328 nan 8.230 nan 0.000 0.426 434 V N 3.149 123.101 119.914 0.065 0.000 2.495 434 V HA 0.394 4.514 4.120 0.000 0.000 0.298 434 V C -0.746 175.347 176.094 -0.003 0.000 1.031 434 V CA -0.519 61.800 62.300 0.031 0.000 0.871 434 V CB 1.995 33.818 31.823 0.001 0.000 0.988 434 V HN 0.423 nan 8.190 nan 0.000 0.432 435 F N 4.582 124.436 119.950 -0.161 0.000 2.444 435 F HA 0.536 5.063 4.527 0.000 0.000 0.342 435 F C 0.838 176.478 175.800 -0.267 0.000 1.121 435 F CA -0.572 57.302 58.000 -0.210 0.000 0.997 435 F CB 1.129 40.042 39.000 -0.144 0.000 1.130 435 F HN 0.643 nan 8.300 nan 0.000 0.454 436 N N 3.165 121.279 118.700 -0.977 0.000 2.714 436 N HA -0.191 4.549 4.740 0.000 0.000 0.252 436 N C -0.300 174.951 175.510 -0.432 0.000 1.014 436 N CA 1.186 53.794 53.050 -0.737 0.000 0.735 436 N CB -0.991 37.249 38.487 -0.411 0.000 0.924 436 N HN 1.005 nan 8.380 nan 0.000 0.540 437 G N -1.979 106.431 108.800 -0.651 0.000 2.619 437 G HA2 0.610 4.570 3.960 0.000 0.000 0.305 437 G HA3 0.610 4.570 3.960 0.000 0.000 0.305 437 G C -1.734 172.808 174.900 -0.596 0.000 1.330 437 G CA -0.914 43.980 45.100 -0.344 0.000 0.789 437 G HN 0.116 nan 8.290 nan 0.000 0.487 438 W N 0.299 121.679 121.300 0.133 0.000 2.666 438 W HA 0.518 5.178 4.660 0.000 0.000 0.334 438 W C -1.237 175.353 176.519 0.118 0.000 1.051 438 W CA -1.802 55.636 57.345 0.155 0.000 1.224 438 W CB 2.187 31.735 29.460 0.147 0.000 1.405 438 W HN 0.400 nan 8.180 nan 0.000 0.513 439 P HA -0.149 nan 4.420 nan 0.000 0.226 439 P C 1.285 178.741 177.300 0.259 0.000 1.153 439 P CA 1.718 64.971 63.100 0.255 0.000 0.777 439 P CB -0.073 31.778 31.700 0.250 0.000 0.794 440 T N -1.441 113.259 114.554 0.244 0.000 2.635 440 T HA -0.106 4.244 4.350 0.000 0.000 0.267 440 T C 1.482 176.352 174.700 0.283 0.000 1.040 440 T CA 1.169 63.384 62.100 0.191 0.000 1.156 440 T CB -1.625 67.166 68.868 -0.129 0.000 0.863 440 T HN 0.202 nan 8.240 nan 0.000 0.430 441 G N 1.026 109.960 108.800 0.224 0.000 2.406 441 G HA2 0.459 4.419 3.960 0.000 0.000 0.251 441 G HA3 0.459 4.419 3.960 0.000 0.000 0.251 441 G C -0.849 174.172 174.900 0.202 0.000 1.271 441 G CA -0.563 44.676 45.100 0.231 0.000 0.859 441 G HN 0.410 nan 8.290 nan 0.000 0.540 442 V N 2.898 122.916 119.914 0.174 0.000 2.325 442 V HA 0.166 4.286 4.120 0.000 0.000 0.280 442 V C 0.013 176.153 176.094 0.076 0.000 1.016 442 V CA -0.843 61.526 62.300 0.115 0.000 0.818 442 V CB 1.080 32.923 31.823 0.034 0.000 1.019 442 V HN 0.866 nan 8.190 nan 0.000 0.434 443 E N 3.847 124.093 120.200 0.076 0.000 2.351 443 E HA 0.132 4.482 4.350 0.000 0.000 0.266 443 E C -0.282 176.321 176.600 0.006 0.000 1.031 443 E CA 0.061 56.490 56.400 0.048 0.000 0.911 443 E CB 1.129 30.863 29.700 0.057 0.000 0.986 443 E HN 0.444 nan 8.360 nan 0.000 0.446 444 V N 6.112 126.009 119.914 -0.029 0.000 2.223 444 V HA 0.451 4.571 4.120 0.000 0.000 0.249 444 V C 0.814 176.823 176.094 -0.142 0.000 1.233 444 V CA 0.565 62.806 62.300 -0.097 0.000 1.131 444 V CB -0.144 31.610 31.823 -0.116 0.000 1.298 444 V HN 0.735 nan 8.190 nan 0.000 0.498 445 G N 1.374 110.093 108.800 -0.135 0.000 3.259 445 G HA2 0.377 4.337 3.960 0.000 0.000 0.178 445 G HA3 0.377 4.337 3.960 0.000 0.000 0.178 445 G C -0.168 174.562 174.900 -0.284 0.000 1.129 445 G CA -0.174 44.830 45.100 -0.161 0.000 0.816 445 G HN 0.295 nan 8.290 nan 0.000 0.634 446 Y N 0.040 120.318 120.300 -0.036 0.000 2.503 446 Y HA 0.365 4.915 4.550 0.000 0.000 0.277 446 Y C 2.718 178.626 175.900 0.013 0.000 1.102 446 Y CA 0.877 58.965 58.100 -0.019 0.000 1.261 446 Y CB 0.471 38.924 38.460 -0.011 0.000 1.096 446 Y HN 0.380 nan 8.280 nan 0.000 0.546 447 A N -0.429 122.484 122.820 0.155 0.000 2.275 447 A HA 0.167 4.487 4.320 0.000 0.000 0.212 447 A C 0.912 178.548 177.584 0.087 0.000 1.201 447 A CA -0.170 51.934 52.037 0.111 0.000 0.843 447 A CB -0.633 18.422 19.000 0.093 0.000 0.873 447 A HN 0.231 nan 8.150 nan 0.000 0.492 448 M N 0.705 120.349 119.600 0.073 0.000 2.252 448 M HA 0.283 4.764 4.480 0.000 0.000 0.333 448 M C -0.818 175.544 176.300 0.103 0.000 1.111 448 M CA 0.439 55.789 55.300 0.084 0.000 1.140 448 M CB 0.573 33.214 32.600 0.068 0.000 1.538 448 M HN -0.051 nan 8.290 nan 0.000 0.448 449 V N 5.689 125.678 119.914 0.124 0.000 2.385 449 V HA 0.218 4.339 4.120 0.000 0.000 0.277 449 V C -1.406 174.789 176.094 0.168 0.000 1.012 449 V CA -0.595 61.780 62.300 0.124 0.000 0.832 449 V CB 0.645 32.521 31.823 0.089 0.000 1.028 449 V HN 0.859 nan 8.190 nan 0.000 0.436 450 H N 3.320 122.449 119.070 0.098 0.000 2.661 450 H HA 0.765 5.321 4.556 0.001 0.000 0.290 450 H C 0.291 175.696 175.328 0.128 0.000 1.082 450 H CA 0.867 56.987 56.048 0.121 0.000 1.234 450 H CB 0.930 30.780 29.762 0.147 0.000 1.387 450 H HN 0.873 nan 8.280 nan 0.000 0.476 451 G N 2.007 110.715 108.800 -0.154 0.000 2.403 451 G HA2 0.467 4.427 3.960 0.000 0.000 0.223 451 G HA3 0.467 4.427 3.960 0.000 0.000 0.223 451 G C -0.285 174.599 174.900 -0.026 0.000 1.287 451 G CA -0.187 44.868 45.100 -0.075 0.000 0.982 451 G HN 1.249 nan 8.290 nan 0.000 0.471 452 G N -1.300 107.509 108.800 0.016 0.000 2.357 452 G HA2 0.523 4.484 3.960 0.000 0.000 0.289 452 G HA3 0.523 4.484 3.960 0.000 0.000 0.289 452 G C -3.431 171.488 174.900 0.032 0.000 1.302 452 G CA 0.148 45.262 45.100 0.022 0.000 0.936 452 G HN 0.820 nan 8.290 nan 0.000 0.513 453 P HA 0.265 nan 4.420 nan 0.000 0.268 453 P C -0.358 176.992 177.300 0.083 0.000 1.208 453 P CA -0.016 63.120 63.100 0.061 0.000 0.777 453 P CB 0.190 31.926 31.700 0.060 0.000 0.875 454 Y N 5.488 125.771 120.300 -0.027 0.000 2.811 454 Y HA -0.006 4.545 4.550 0.000 0.000 0.334 454 Y C -1.032 174.861 175.900 -0.012 0.000 1.247 454 Y CA -0.628 57.446 58.100 -0.043 0.000 1.526 454 Y CB 0.219 38.624 38.460 -0.092 0.000 1.284 454 Y HN 0.409 nan 8.280 nan 0.000 0.586 455 P HA 0.062 nan 4.420 nan 0.000 0.255 455 P C 0.675 177.768 177.300 -0.344 0.000 1.248 455 P CA 1.014 63.605 63.100 -0.848 0.000 0.807 455 P CB 0.109 31.352 31.700 -0.761 0.000 1.150 456 A N 0.032 122.770 122.820 -0.138 0.000 1.948 456 A HA -0.085 4.236 4.320 0.000 0.000 0.220 456 A C 1.399 178.964 177.584 -0.032 0.000 1.177 456 A CA 1.731 53.734 52.037 -0.057 0.000 0.636 456 A CB -0.751 18.238 19.000 -0.019 0.000 0.815 456 A HN 0.412 nan 8.150 nan 0.000 0.449 457 S N -3.996 111.697 115.700 -0.013 0.000 2.570 457 S HA 0.415 4.885 4.470 0.000 0.000 0.270 457 S C 0.546 175.215 174.600 0.115 0.000 1.149 457 S CA 0.287 58.536 58.200 0.081 0.000 0.837 457 S CB 1.259 64.532 63.200 0.122 0.000 1.124 457 S HN 0.624 nan 8.310 nan 0.000 0.465 458 T N -0.086 114.578 114.554 0.182 0.000 3.107 458 T HA 0.231 4.582 4.350 0.000 0.000 0.249 458 T C 0.283 175.099 174.700 0.194 0.000 1.096 458 T CA 0.609 62.775 62.100 0.111 0.000 1.012 458 T CB -0.386 68.503 68.868 0.036 0.000 0.977 458 T HN 0.659 nan 8.240 nan 0.000 0.527 459 H N 0.955 120.106 119.070 0.134 0.000 2.699 459 H HA 0.460 5.016 4.556 0.000 0.000 0.256 459 H C 1.196 176.614 175.328 0.150 0.000 1.376 459 H CA -0.339 55.790 56.048 0.135 0.000 1.549 459 H CB 0.812 30.656 29.762 0.136 0.000 1.686 459 H HN 0.114 nan 8.280 nan 0.000 0.550 460 S N 1.952 117.600 115.700 -0.087 0.000 2.420 460 S HA -0.173 4.297 4.470 0.000 0.000 0.237 460 S C 1.700 176.220 174.600 -0.133 0.000 1.023 460 S CA 0.765 58.923 58.200 -0.070 0.000 0.991 460 S CB -0.113 63.063 63.200 -0.040 0.000 0.792 460 S HN 0.576 nan 8.310 nan 0.000 0.488 461 A N 1.462 124.062 122.820 -0.367 0.000 2.916 461 A HA 0.592 4.913 4.320 0.000 0.000 0.254 461 A C 0.689 178.243 177.584 -0.051 0.000 1.544 461 A CA 0.065 51.959 52.037 -0.239 0.000 1.224 461 A CB -0.951 17.884 19.000 -0.276 0.000 1.012 461 A HN 0.902 nan 8.150 nan 0.000 0.636 462 S N -1.649 114.082 115.700 0.051 0.000 2.655 462 S HA 0.704 5.175 4.470 0.000 0.000 0.266 462 S C -0.661 174.005 174.600 0.109 0.000 1.149 462 S CA -0.080 58.205 58.200 0.142 0.000 0.818 462 S CB 1.375 64.761 63.200 0.310 0.000 1.130 462 S HN 0.733 nan 8.310 nan 0.000 0.476 463 T N -0.005 114.599 114.554 0.084 0.000 2.909 463 T HA 0.636 4.986 4.350 0.000 0.000 0.299 463 T C 0.566 175.322 174.700 0.093 0.000 1.073 463 T CA 0.113 62.280 62.100 0.111 0.000 0.999 463 T CB 1.584 70.524 68.868 0.120 0.000 1.098 463 T HN 1.358 nan 8.240 nan 0.000 0.477 464 S N 2.081 117.888 115.700 0.178 0.000 2.556 464 S HA 0.389 4.859 4.470 0.000 0.000 0.216 464 S C 0.173 174.847 174.600 0.124 0.000 0.970 464 S CA -0.232 58.069 58.200 0.169 0.000 0.912 464 S CB 0.133 63.507 63.200 0.289 0.000 0.790 464 S HN 0.502 nan 8.310 nan 0.000 0.504 465 V N 0.992 120.990 119.914 0.140 0.000 2.760 465 V HA 0.822 4.942 4.120 0.000 0.000 0.309 465 V C 0.330 176.462 176.094 0.064 0.000 1.077 465 V CA 0.128 62.455 62.300 0.045 0.000 0.910 465 V CB 0.875 32.670 31.823 -0.047 0.000 1.008 465 V HN 0.737 nan 8.190 nan 0.000 0.424 466 G N 2.832 111.636 108.800 0.008 0.000 2.515 466 G HA2 0.373 4.333 3.960 0.000 0.000 0.686 466 G HA3 0.373 4.333 3.960 0.000 0.000 0.686 466 G C 0.524 175.355 174.900 -0.114 0.000 1.274 466 G CA -0.179 44.866 45.100 -0.092 0.000 0.874 466 G HN 1.550 nan 8.290 nan 0.000 0.631 467 A N -0.255 122.372 122.820 -0.322 0.000 1.986 467 A HA -0.016 4.304 4.320 0.000 0.000 0.220 467 A C 1.979 179.603 177.584 0.067 0.000 1.171 467 A CA 2.440 54.303 52.037 -0.289 0.000 0.640 467 A CB -0.325 18.438 19.000 -0.396 0.000 0.811 467 A HN 0.749 nan 8.150 nan 0.000 0.451 468 E N -0.169 120.099 120.200 0.113 0.000 2.478 468 E HA 0.029 4.380 4.350 0.000 0.000 0.198 468 E C 1.999 178.679 176.600 0.134 0.000 1.046 468 E CA 0.771 57.294 56.400 0.205 0.000 0.870 468 E CB -0.499 29.332 29.700 0.218 0.000 0.818 468 E HN 0.635 nan 8.360 nan 0.000 0.527 469 A N 1.183 124.085 122.820 0.137 0.000 2.070 469 A HA -0.104 4.217 4.320 0.000 0.000 0.220 469 A C 2.169 179.676 177.584 -0.128 0.000 1.159 469 A CA 0.558 52.613 52.037 0.029 0.000 0.656 469 A CB -0.548 18.539 19.000 0.145 0.000 0.800 469 A HN 0.300 nan 8.150 nan 0.000 0.453 470 I N -1.056 119.479 120.570 -0.058 0.000 2.361 470 I HA -0.231 3.940 4.170 0.000 0.000 0.251 470 I C 1.940 177.915 176.117 -0.237 0.000 1.133 470 I CA 1.193 62.400 61.300 -0.155 0.000 1.413 470 I CB -0.213 37.694 38.000 -0.156 0.000 1.073 470 I HN 0.409 nan 8.210 nan 0.000 0.424 471 H N 0.951 119.987 119.070 -0.056 0.000 2.545 471 H HA -0.050 4.507 4.556 0.001 0.000 0.282 471 H C 2.072 177.272 175.328 -0.214 0.000 1.020 471 H CA 0.777 56.792 56.048 -0.056 0.000 1.243 471 H CB -0.183 29.584 29.762 0.009 0.000 1.377 471 H HN 0.435 nan 8.280 nan 0.000 0.581 472 R N -0.186 120.002 120.500 -0.520 0.000 2.189 472 R HA -0.119 4.221 4.340 0.000 0.000 0.223 472 R C 0.897 176.720 176.300 -0.794 0.000 1.092 472 R CA 1.160 56.651 56.100 -1.014 0.000 0.989 472 R CB -0.064 28.907 30.300 -2.214 0.000 0.876 472 R HN 0.389 nan 8.270 nan 0.000 0.457 473 W N 0.652 121.910 121.300 -0.070 0.000 3.223 473 W HA 0.347 5.008 4.660 0.000 0.000 0.389 473 W C -0.387 176.161 176.519 0.049 0.000 1.118 473 W CA -0.647 56.696 57.345 -0.004 0.000 1.902 473 W CB 0.327 29.748 29.460 -0.065 0.000 1.094 473 W HN -0.155 nan 8.180 nan 0.000 0.666 474 L N 1.680 123.024 121.223 0.201 0.000 2.354 474 L HA 0.720 5.061 4.340 0.000 0.000 0.264 474 L C 0.003 176.979 176.870 0.176 0.000 1.008 474 L CA -1.439 53.526 54.840 0.207 0.000 0.819 474 L CB 2.157 44.364 42.059 0.246 0.000 1.339 474 L HN -0.086 nan 8.230 nan 0.000 0.420 475 R N 0.873 121.472 120.500 0.164 0.000 2.673 475 R HA 0.658 4.998 4.340 0.000 0.000 0.281 475 R C -3.080 173.295 176.300 0.124 0.000 0.991 475 R CA -1.815 54.363 56.100 0.130 0.000 0.896 475 R CB 1.949 32.315 30.300 0.109 0.000 1.201 475 R HN 0.198 nan 8.270 nan 0.000 0.457 476 P HA 0.218 nan 4.420 nan 0.000 0.281 476 P C -0.797 176.536 177.300 0.055 0.000 1.249 476 P CA -0.528 62.628 63.100 0.093 0.000 0.810 476 P CB 1.606 33.351 31.700 0.076 0.000 1.008 477 V N 1.307 121.252 119.914 0.052 0.000 2.686 477 V HA 0.586 4.706 4.120 0.000 0.000 0.306 477 V C 0.009 176.028 176.094 -0.125 0.000 1.065 477 V CA -0.863 61.383 62.300 -0.091 0.000 0.894 477 V CB 1.799 33.524 31.823 -0.163 0.000 1.004 477 V HN 0.772 nan 8.190 nan 0.000 0.424 478 A N 4.071 126.767 122.820 -0.206 0.000 2.305 478 A HA 0.870 5.190 4.320 0.000 0.000 0.322 478 A C -1.476 175.948 177.584 -0.267 0.000 1.187 478 A CA -0.325 51.655 52.037 -0.095 0.000 0.825 478 A CB 0.596 19.576 19.000 -0.035 0.000 1.164 478 A HN 0.731 nan 8.150 nan 0.000 0.498 479 Y N 0.689 120.994 120.300 0.008 0.000 2.328 479 Y HA 0.501 5.052 4.550 0.001 0.000 0.333 479 Y C 0.314 176.216 175.900 0.003 0.000 0.958 479 Y CA -0.333 57.770 58.100 0.006 0.000 1.167 479 Y CB 1.745 40.205 38.460 0.001 0.000 1.151 479 Y HN 0.740 nan 8.280 nan 0.000 0.470 480 Q N 2.520 122.383 119.800 0.105 0.000 2.348 480 Q HA 0.576 4.916 4.340 0.000 0.000 0.265 480 Q C 0.185 176.220 176.000 0.059 0.000 0.998 480 Q CA -0.076 55.767 55.803 0.066 0.000 0.831 480 Q CB 1.119 29.876 28.738 0.031 0.000 1.251 480 Q HN 0.962 nan 8.270 nan 0.000 0.456 481 A N 3.100 125.951 122.820 0.051 0.000 2.847 481 A HA -0.203 4.117 4.320 0.000 0.000 0.263 481 A C -0.642 176.967 177.584 0.041 0.000 1.391 481 A CA 0.524 52.583 52.037 0.037 0.000 0.866 481 A CB -1.942 17.075 19.000 0.027 0.000 1.057 481 A HN 0.617 nan 8.150 nan 0.000 0.673 482 L N 1.200 122.458 121.223 0.059 0.000 2.417 482 L HA 0.467 4.808 4.340 0.000 0.000 0.268 482 L C -1.003 175.882 176.870 0.025 0.000 1.158 482 L CA -1.066 53.806 54.840 0.054 0.000 0.819 482 L CB 0.186 42.297 42.059 0.086 0.000 1.112 482 L HN 0.336 nan 8.230 nan 0.000 0.458 483 P HA 0.094 nan 4.420 nan 0.000 0.274 483 P C 0.031 177.325 177.300 -0.009 0.000 1.231 483 P CA -0.441 62.661 63.100 0.004 0.000 0.790 483 P CB 0.851 32.555 31.700 0.006 0.000 0.951 484 E N 1.102 121.293 120.200 -0.015 0.000 2.114 484 E HA -0.181 4.170 4.350 0.000 0.000 0.199 484 E C 1.868 178.449 176.600 -0.032 0.000 1.008 484 E CA 2.167 58.550 56.400 -0.028 0.000 0.810 484 E CB -0.831 28.855 29.700 -0.024 0.000 0.739 484 E HN 0.616 nan 8.360 nan 0.000 0.456 485 S N 0.203 115.891 115.700 -0.020 0.000 2.447 485 S HA -0.055 4.415 4.470 0.000 0.000 0.233 485 S C 1.992 176.581 174.600 -0.018 0.000 1.006 485 S CA 0.655 58.844 58.200 -0.018 0.000 0.957 485 S CB -0.268 62.926 63.200 -0.009 0.000 0.773 485 S HN 0.193 nan 8.310 nan 0.000 0.507 486 L N 0.273 121.487 121.223 -0.015 0.000 2.607 486 L HA 0.415 4.755 4.340 0.000 0.000 0.228 486 L C 0.385 177.236 176.870 -0.032 0.000 1.123 486 L CA -0.076 54.760 54.840 -0.006 0.000 0.890 486 L CB -0.109 41.961 42.059 0.018 0.000 1.103 486 L HN 0.233 nan 8.230 nan 0.000 0.468 487 L N 1.635 122.813 121.223 -0.075 0.000 2.375 487 L HA 0.322 4.662 4.340 0.000 0.000 0.271 487 L C -1.842 174.911 176.870 -0.194 0.000 1.107 487 L CA -1.836 52.899 54.840 -0.175 0.000 0.806 487 L CB 0.937 42.892 42.059 -0.173 0.000 1.146 487 L HN -0.174 nan 8.230 nan 0.000 0.447 488 P HA 0.015 nan 4.420 nan 0.000 0.272 488 P C -0.433 176.741 177.300 -0.209 0.000 1.223 488 P CA -0.330 62.635 63.100 -0.226 0.000 0.784 488 P CB 0.891 32.424 31.700 -0.279 0.000 0.923 489 D N 0.867 121.172 120.400 -0.159 0.000 2.158 489 D HA -0.161 4.480 4.640 0.000 0.000 0.197 489 D C 1.965 178.149 176.300 -0.193 0.000 0.995 489 D CA 2.054 55.968 54.000 -0.142 0.000 0.846 489 D CB -0.613 40.127 40.800 -0.100 0.000 0.941 489 D HN 0.484 nan 8.370 nan 0.000 0.456 490 S N -0.097 115.420 115.700 -0.304 0.000 2.419 490 S HA -0.106 4.364 4.470 0.000 0.000 0.235 490 S C 1.880 176.323 174.600 -0.261 0.000 1.019 490 S CA 0.671 58.638 58.200 -0.390 0.000 0.982 490 S CB -0.329 62.402 63.200 -0.782 0.000 0.789 490 S HN 0.298 nan 8.310 nan 0.000 0.490 491 L N -0.136 120.941 121.223 -0.243 0.000 2.766 491 L HA 0.339 4.680 4.340 0.000 0.000 0.242 491 L C 0.424 177.209 176.870 -0.142 0.000 1.136 491 L CA -0.280 54.447 54.840 -0.189 0.000 0.933 491 L CB 0.039 41.953 42.059 -0.243 0.000 1.241 491 L HN 0.069 nan 8.230 nan 0.000 0.522 492 K N 0.618 120.939 120.400 -0.132 0.000 2.436 492 K HA 0.151 4.472 4.320 0.000 0.000 0.275 492 K C 1.337 177.896 176.600 -0.068 0.000 0.999 492 K CA 0.261 56.492 56.287 -0.093 0.000 0.980 492 K CB 1.403 33.854 32.500 -0.082 0.000 0.919 492 K HN 0.055 nan 8.250 nan 0.000 0.484 493 A N 3.753 126.543 122.820 -0.051 0.000 1.927 493 A HA -0.264 4.056 4.320 0.000 0.000 0.220 493 A C 1.683 179.247 177.584 -0.034 0.000 1.185 493 A CA 2.127 54.142 52.037 -0.037 0.000 0.639 493 A CB -0.552 18.431 19.000 -0.027 0.000 0.820 493 A HN 0.902 nan 8.150 nan 0.000 0.451 494 E N -0.828 119.352 120.200 -0.034 0.000 2.427 494 E HA -0.034 4.316 4.350 0.000 0.000 0.196 494 E C 0.622 177.203 176.600 -0.032 0.000 1.028 494 E CA 0.297 56.680 56.400 -0.029 0.000 0.864 494 E CB -0.283 29.402 29.700 -0.026 0.000 0.813 494 E HN 0.479 nan 8.360 nan 0.000 0.514 495 N N 1.052 119.726 118.700 -0.044 0.000 2.696 495 N HA -0.124 4.616 4.740 0.000 0.000 0.256 495 N C -1.634 173.852 175.510 -0.040 0.000 1.031 495 N CA 0.788 53.808 53.050 -0.049 0.000 0.730 495 N CB -0.342 38.121 38.487 -0.039 0.000 0.894 495 N HN 0.235 nan 8.380 nan 0.000 0.544 496 P HA -0.159 nan 4.420 nan 0.000 0.221 496 P C 1.461 178.745 177.300 -0.025 0.000 1.145 496 P CA 0.957 64.038 63.100 -0.031 0.000 0.795 496 P CB 0.161 31.840 31.700 -0.034 0.000 0.775 497 L N -0.800 120.402 121.223 -0.035 0.000 2.509 497 L HA 0.093 4.433 4.340 0.000 0.000 0.222 497 L C 0.668 177.535 176.870 -0.005 0.000 1.123 497 L CA 0.333 55.163 54.840 -0.017 0.000 0.856 497 L CB -0.939 41.102 42.059 -0.030 0.000 0.985 497 L HN -0.033 nan 8.230 nan 0.000 0.456 498 E N 1.093 121.284 120.200 -0.014 0.000 2.416 498 E HA -0.219 4.131 4.350 0.000 0.000 0.249 498 E C -0.028 176.574 176.600 0.003 0.000 1.124 498 E CA 0.366 56.762 56.400 -0.006 0.000 0.732 498 E CB -1.844 27.856 29.700 0.001 0.000 1.286 498 E HN 0.643 nan 8.360 nan 0.000 0.394 499 I N -3.093 117.474 120.570 -0.003 0.000 2.918 499 I HA 0.660 4.831 4.170 0.000 0.000 0.316 499 I C 0.605 176.726 176.117 0.006 0.000 1.001 499 I CA -1.004 60.304 61.300 0.013 0.000 1.142 499 I CB 1.084 39.096 38.000 0.020 0.000 1.356 499 I HN -0.005 nan 8.210 nan 0.000 0.524 500 A N 3.841 126.672 122.820 0.019 0.000 2.409 500 A HA 0.554 4.874 4.320 0.000 0.000 0.262 500 A C -0.019 177.570 177.584 0.009 0.000 1.113 500 A CA -0.400 51.645 52.037 0.014 0.000 0.790 500 A CB 0.096 19.110 19.000 0.023 0.000 1.046 500 A HN 0.816 nan 8.150 nan 0.000 0.496 501 R N 1.260 121.761 120.500 0.000 0.000 2.673 501 R HA 0.617 4.957 4.340 0.000 0.000 0.281 501 R C -0.885 175.414 176.300 -0.000 0.000 0.991 501 R CA -0.634 55.464 56.100 -0.003 0.000 0.896 501 R CB 2.400 32.689 30.300 -0.018 0.000 1.201 501 R HN 0.768 nan 8.270 nan 0.000 0.457 502 A N 2.435 125.257 122.820 0.003 0.000 2.260 502 A HA 0.526 4.847 4.320 0.000 0.000 0.308 502 A C -0.331 177.255 177.584 0.003 0.000 1.254 502 A CA -0.552 51.487 52.037 0.004 0.000 0.874 502 A CB 0.833 19.838 19.000 0.007 0.000 1.153 502 A HN 0.375 nan 8.150 nan 0.000 0.527 503 V N 3.260 123.175 119.914 0.001 0.000 2.417 503 V HA 0.291 4.411 4.120 0.000 0.000 0.291 503 V C -0.235 175.860 176.094 0.002 0.000 1.024 503 V CA -0.520 61.780 62.300 0.001 0.000 0.861 503 V CB 1.233 33.055 31.823 -0.002 0.000 0.985 503 V HN 0.998 nan 8.190 nan 0.000 0.436 504 D N 4.384 124.786 120.400 0.004 0.000 2.692 504 D HA -0.231 4.410 4.640 0.000 0.000 0.233 504 D C 1.347 177.649 176.300 0.003 0.000 1.172 504 D CA 1.523 55.526 54.000 0.004 0.000 0.636 504 D CB -0.959 39.843 40.800 0.003 0.000 1.028 504 D HN 1.392 nan 8.370 nan 0.000 0.419 505 G N -0.724 108.079 108.800 0.004 0.000 2.267 505 G HA2 -0.389 3.571 3.960 0.000 0.000 0.257 505 G HA3 -0.389 3.571 3.960 0.000 0.000 0.257 505 G C 0.555 175.456 174.900 0.002 0.000 0.998 505 G CA 0.731 45.833 45.100 0.003 0.000 0.620 505 G HN 0.511 nan 8.290 nan 0.000 0.529 506 K N 0.774 121.174 120.400 0.001 0.000 2.344 506 K HA 0.466 4.787 4.320 0.000 0.000 0.260 506 K C 0.950 177.550 176.600 0.000 0.000 0.988 506 K CA 0.208 56.495 56.287 0.000 0.000 0.909 506 K CB 0.338 32.838 32.500 -0.001 0.000 0.968 506 K HN 0.636 nan 8.250 nan 0.000 0.505 507 A N 2.105 124.925 122.820 -0.000 0.000 2.475 507 A HA 0.381 4.702 4.320 0.000 0.000 0.293 507 A C 0.487 178.071 177.584 0.001 0.000 1.252 507 A CA 0.261 52.297 52.037 -0.000 0.000 0.920 507 A CB -0.969 18.030 19.000 -0.002 0.000 1.125 507 A HN 0.807 nan 8.150 nan 0.000 0.528 508 A N 0.000 122.822 122.820 0.003 0.000 2.254 508 A HA 0.000 4.320 4.320 0.000 0.000 0.244 508 A CA 0.000 52.040 52.037 0.005 0.000 0.836 508 A CB 0.000 19.006 19.000 0.011 0.000 0.831 508 A HN 0.000 nan 8.150 nan 0.000 0.486