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 3oee_1_V DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAVGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.611 174.600 0.019 0.000 1.055 6 S CA 0.000 58.210 58.200 0.016 0.000 1.107 6 S CB 0.000 63.209 63.200 0.015 0.000 0.593 7 T N 3.257 117.824 114.554 0.022 0.000 2.904 7 T HA 0.679 5.029 4.350 0.000 0.000 0.290 7 T C -2.569 172.151 174.700 0.033 0.000 1.018 7 T CA -1.087 61.028 62.100 0.024 0.000 1.075 7 T CB 0.620 69.502 68.868 0.023 0.000 0.986 7 T HN 0.405 nan 8.240 nan 0.000 0.523 8 P HA 0.280 nan 4.420 nan 0.000 0.267 8 P C -0.331 177.007 177.300 0.064 0.000 1.209 8 P CA -0.331 62.796 63.100 0.045 0.000 0.763 8 P CB 0.250 31.973 31.700 0.038 0.000 0.816 9 I N 2.652 123.277 120.570 0.091 0.000 2.556 9 I HA 0.063 4.233 4.170 0.000 0.000 0.284 9 I C 0.713 176.949 176.117 0.199 0.000 1.114 9 I CA 0.805 62.196 61.300 0.152 0.000 1.418 9 I CB 0.370 38.469 38.000 0.166 0.000 1.394 9 I HN 0.311 nan 8.210 nan 0.000 0.552 10 T N 4.699 119.344 114.554 0.152 0.000 2.861 10 T HA 0.632 4.982 4.350 0.000 0.000 0.287 10 T C 0.070 174.578 174.700 -0.320 0.000 1.003 10 T CA -0.632 61.469 62.100 0.002 0.000 0.977 10 T CB 1.827 70.680 68.868 -0.027 0.000 0.996 10 T HN 0.797 nan 8.240 nan 0.000 0.448 11 G N 1.638 110.099 108.800 -0.564 0.000 2.816 11 G HA2 0.800 4.760 3.960 0.000 0.000 0.288 11 G HA3 0.800 4.760 3.960 0.000 0.000 0.288 11 G C -1.594 173.026 174.900 -0.466 0.000 1.334 11 G CA -0.986 43.462 45.100 -1.087 0.000 0.978 11 G HN 0.613 nan 8.290 nan 0.000 0.493 12 K N -0.016 120.159 120.400 -0.374 0.000 2.427 12 K HA 0.502 4.822 4.320 0.000 0.000 0.252 12 K C -1.246 175.305 176.600 -0.081 0.000 0.931 12 K CA -0.834 55.352 56.287 -0.169 0.000 0.793 12 K CB 2.972 35.387 32.500 -0.142 0.000 1.211 12 K HN 0.217 nan 8.250 nan 0.000 0.426 13 V N 2.762 122.648 119.914 -0.046 0.000 2.479 13 V HA -0.013 4.107 4.120 0.000 0.000 0.281 13 V C 1.065 177.160 176.094 0.002 0.000 1.031 13 V CA 0.597 62.892 62.300 -0.009 0.000 1.038 13 V CB 0.633 32.452 31.823 -0.007 0.000 0.981 13 V HN 1.066 nan 8.190 nan 0.000 0.478 14 T N 1.256 115.826 114.554 0.026 0.000 2.955 14 T HA 0.548 4.898 4.350 0.000 0.000 0.251 14 T C 0.360 175.076 174.700 0.026 0.000 1.002 14 T CA 0.476 62.596 62.100 0.033 0.000 0.970 14 T CB 0.646 69.559 68.868 0.075 0.000 1.091 14 T HN 0.874 nan 8.240 nan 0.000 0.495 15 A N 1.519 124.354 122.820 0.025 0.000 2.459 15 A HA 0.695 5.015 4.320 0.000 0.000 0.296 15 A C -1.033 176.560 177.584 0.016 0.000 1.039 15 A CA -0.855 51.194 52.037 0.019 0.000 0.698 15 A CB 1.641 20.654 19.000 0.021 0.000 1.261 15 A HN 0.793 nan 8.150 nan 0.000 0.405 16 V N 0.201 120.122 119.914 0.011 0.000 2.443 16 V HA 0.826 4.946 4.120 0.000 0.000 0.293 16 V C -0.783 175.315 176.094 0.007 0.000 1.021 16 V CA -0.431 61.875 62.300 0.009 0.000 0.848 16 V CB 0.663 32.490 31.823 0.007 0.000 0.998 16 V HN 0.667 nan 8.190 nan 0.000 0.424 17 I N 5.312 125.886 120.570 0.007 0.000 2.649 17 I HA 0.701 4.871 4.170 0.000 0.000 0.275 17 I C 0.982 177.101 176.117 0.003 0.000 1.180 17 I CA 0.175 61.477 61.300 0.004 0.000 1.049 17 I CB 1.102 39.105 38.000 0.005 0.000 1.234 17 I HN 1.017 nan 8.210 nan 0.000 0.506 18 G N 4.357 113.159 108.800 0.002 0.000 4.951 18 G HA2 -0.341 3.619 3.960 0.000 0.000 0.295 18 G HA3 -0.341 3.619 3.960 0.000 0.000 0.295 18 G C 0.736 175.636 174.900 0.002 0.000 1.540 18 G CA 0.743 45.843 45.100 0.001 0.000 1.044 18 G HN 0.744 nan 8.290 nan 0.000 0.731 19 A N -0.555 122.265 122.820 0.001 0.000 2.009 19 A HA 0.642 4.962 4.320 0.000 0.000 0.197 19 A C 1.052 178.639 177.584 0.007 0.000 1.471 19 A CA 0.743 52.782 52.037 0.003 0.000 0.973 19 A CB 0.272 19.271 19.000 -0.002 0.000 1.020 19 A HN 0.791 nan 8.150 nan 0.000 0.476 20 I N 2.341 122.914 120.570 0.005 0.000 2.668 20 I HA 0.163 4.333 4.170 0.000 0.000 0.285 20 I C -0.646 175.479 176.117 0.014 0.000 1.168 20 I CA 0.591 61.897 61.300 0.009 0.000 1.424 20 I CB 0.274 38.278 38.000 0.007 0.000 1.377 20 I HN -0.048 nan 8.210 nan 0.000 0.560 21 V N 5.974 125.900 119.914 0.020 0.000 2.531 21 V HA 0.320 4.440 4.120 0.000 0.000 0.301 21 V C -0.307 175.808 176.094 0.034 0.000 1.034 21 V CA -0.878 61.437 62.300 0.025 0.000 0.865 21 V CB 2.204 34.044 31.823 0.028 0.000 0.995 21 V HN 0.575 nan 8.190 nan 0.000 0.424 22 D N 2.387 122.808 120.400 0.035 0.000 2.225 22 D HA 0.667 5.307 4.640 0.000 0.000 0.249 22 D C -0.592 175.746 176.300 0.063 0.000 1.052 22 D CA 0.134 54.161 54.000 0.044 0.000 0.909 22 D CB 1.941 42.765 40.800 0.039 0.000 1.186 22 D HN 0.362 nan 8.370 nan 0.000 0.431 23 V N 1.829 121.799 119.914 0.093 0.000 2.760 23 V HA 0.263 4.383 4.120 0.000 0.000 0.309 23 V C -0.455 175.747 176.094 0.180 0.000 1.077 23 V CA -0.950 61.431 62.300 0.134 0.000 0.910 23 V CB 1.907 33.879 31.823 0.248 0.000 1.008 23 V HN 0.546 nan 8.190 nan 0.000 0.424 24 H N 3.025 122.105 119.070 0.017 0.000 2.458 24 H HA 0.703 5.259 4.556 0.000 0.000 0.330 24 H C -1.738 173.544 175.328 -0.078 0.000 1.111 24 H CA -0.355 55.711 56.048 0.029 0.000 1.245 24 H CB 1.542 31.288 29.762 -0.027 0.000 1.456 24 H HN 0.533 nan 8.280 nan 0.000 0.488 25 F N 1.062 121.033 119.950 0.035 0.000 2.640 25 F HA 0.225 4.752 4.527 0.000 0.000 0.324 25 F C 0.681 176.543 175.800 0.104 0.000 1.077 25 F CA -0.819 57.214 58.000 0.055 0.000 0.965 25 F CB 1.229 40.198 39.000 -0.052 0.000 1.351 25 F HN 0.436 nan 8.300 nan 0.000 0.487 26 E N -0.055 120.304 120.200 0.264 0.000 2.359 26 E HA 0.101 4.451 4.350 0.000 0.000 0.255 26 E C -0.765 175.913 176.600 0.130 0.000 1.191 26 E CA -0.660 55.840 56.400 0.167 0.000 0.952 26 E CB 0.460 30.227 29.700 0.111 0.000 1.152 26 E HN 0.439 nan 8.360 nan 0.000 0.496 27 Q N 0.859 120.712 119.800 0.088 0.000 2.520 27 Q HA -0.102 4.238 4.340 0.000 0.000 0.320 27 Q C -0.322 175.706 176.000 0.047 0.000 1.104 27 Q CA 0.858 56.696 55.803 0.059 0.000 1.062 27 Q CB -0.507 28.259 28.738 0.046 0.000 1.005 27 Q HN 0.630 nan 8.270 nan 0.000 0.390 28 S N 2.168 117.886 115.700 0.030 0.000 3.367 28 S HA -0.311 4.159 4.470 0.000 0.000 0.375 28 S C 0.507 175.115 174.600 0.014 0.000 0.962 28 S CA 1.365 59.574 58.200 0.016 0.000 1.229 28 S CB -1.040 62.170 63.200 0.017 0.000 0.905 28 S HN 0.876 nan 8.310 nan 0.000 0.482 29 E N -0.432 119.778 120.200 0.016 0.000 2.548 29 E HA 0.293 4.643 4.350 0.000 0.000 0.206 29 E C -0.139 176.416 176.600 -0.075 0.000 1.005 29 E CA -0.454 55.961 56.400 0.024 0.000 0.951 29 E CB 0.192 29.956 29.700 0.107 0.000 1.035 29 E HN 0.789 nan 8.360 nan 0.000 0.470 30 L N 3.536 124.663 121.223 -0.159 0.000 2.410 30 L HA 0.210 4.550 4.340 0.000 0.000 0.273 30 L C -1.917 174.793 176.870 -0.267 0.000 1.144 30 L CA -1.682 52.912 54.840 -0.410 0.000 0.863 30 L CB -0.002 41.808 42.059 -0.416 0.000 1.140 30 L HN 0.010 nan 8.230 nan 0.000 0.463 31 P HA 0.029 nan 4.420 nan 0.000 0.263 31 P C -0.274 177.043 177.300 0.029 0.000 1.195 31 P CA -0.200 62.789 63.100 -0.184 0.000 0.762 31 P CB 0.631 32.186 31.700 -0.242 0.000 0.799 32 A N 4.968 127.801 122.820 0.021 0.000 2.520 32 A HA 0.115 4.435 4.320 0.000 0.000 0.235 32 A C 0.735 178.312 177.584 -0.012 0.000 1.065 32 A CA -0.326 51.701 52.037 -0.017 0.000 0.764 32 A CB -0.474 18.495 19.000 -0.052 0.000 1.002 32 A HN 0.544 nan 8.150 nan 0.000 0.502 33 I N 1.002 121.515 120.570 -0.095 0.000 2.815 33 I HA -0.033 4.137 4.170 0.000 0.000 0.291 33 I C 0.744 176.816 176.117 -0.074 0.000 1.209 33 I CA 0.826 62.086 61.300 -0.067 0.000 1.431 33 I CB 0.094 38.023 38.000 -0.119 0.000 1.351 33 I HN 0.776 nan 8.210 nan 0.000 0.585 34 L N 2.164 123.341 121.223 -0.076 0.000 4.586 34 L HA -0.237 4.103 4.340 0.000 0.000 0.401 34 L C 0.090 176.951 176.870 -0.014 0.000 0.854 34 L CA 0.026 54.797 54.840 -0.116 0.000 1.918 34 L CB -1.635 40.291 42.059 -0.222 0.000 1.631 34 L HN 0.677 nan 8.230 nan 0.000 0.579 35 N N 1.757 120.460 118.700 0.004 0.000 2.440 35 N HA 0.449 5.189 4.740 0.000 0.000 0.265 35 N C 0.450 175.987 175.510 0.045 0.000 1.239 35 N CA 0.964 54.030 53.050 0.027 0.000 0.909 35 N CB 0.849 39.343 38.487 0.011 0.000 1.066 35 N HN 0.330 nan 8.380 nan 0.000 0.474 36 A N 3.263 126.119 122.820 0.060 0.000 2.477 36 A HA 0.385 4.705 4.320 0.000 0.000 0.246 36 A C 0.042 177.662 177.584 0.059 0.000 1.078 36 A CA 0.021 52.096 52.037 0.062 0.000 0.770 36 A CB 0.030 19.066 19.000 0.060 0.000 1.011 36 A HN 0.682 nan 8.150 nan 0.000 0.494 37 L N 1.035 122.296 121.223 0.064 0.000 2.235 37 L HA 0.710 5.050 4.340 0.000 0.000 0.260 37 L C -0.048 176.858 176.870 0.059 0.000 1.025 37 L CA -0.625 54.260 54.840 0.075 0.000 0.836 37 L CB 1.900 44.019 42.059 0.100 0.000 1.395 37 L HN 0.756 nan 8.230 nan 0.000 0.443 38 E N 1.089 121.323 120.200 0.057 0.000 2.317 38 E HA 0.472 4.822 4.350 0.000 0.000 0.270 38 E C -1.568 175.050 176.600 0.030 0.000 0.899 38 E CA -0.231 56.193 56.400 0.039 0.000 0.814 38 E CB 2.325 32.046 29.700 0.034 0.000 1.296 38 E HN 0.341 nan 8.360 nan 0.000 0.404 39 I N 2.417 123.002 120.570 0.024 0.000 2.392 39 I HA 0.328 4.498 4.170 0.000 0.000 0.295 39 I C 0.172 176.295 176.117 0.010 0.000 0.985 39 I CA -0.853 60.455 61.300 0.013 0.000 1.221 39 I CB 1.392 39.398 38.000 0.011 0.000 1.366 39 I HN 0.201 nan 8.210 nan 0.000 0.467 40 K N 4.070 124.473 120.400 0.005 0.000 2.322 40 K HA 0.369 4.689 4.320 0.000 0.000 0.283 40 K C -0.481 176.120 176.600 0.002 0.000 1.042 40 K CA -0.059 56.230 56.287 0.004 0.000 0.958 40 K CB 0.715 33.216 32.500 0.001 0.000 0.984 40 K HN 0.807 nan 8.250 nan 0.000 0.473 41 T N 1.200 115.756 114.554 0.003 0.000 2.896 41 T HA 0.316 4.666 4.350 0.000 0.000 0.297 41 T C -2.057 172.644 174.700 0.002 0.000 1.108 41 T CA -1.730 60.371 62.100 0.002 0.000 1.004 41 T CB 1.435 70.305 68.868 0.004 0.000 1.159 41 T HN 0.293 nan 8.240 nan 0.000 0.499 42 P HA -0.115 nan 4.420 nan 0.000 0.216 42 P C 1.174 178.475 177.300 0.001 0.000 1.157 42 P CA 1.314 64.414 63.100 0.000 0.000 0.880 42 P CB 0.105 31.805 31.700 -0.000 0.000 0.791 43 Q N -1.849 117.952 119.800 0.002 0.000 2.280 43 Q HA 0.316 4.656 4.340 0.000 0.000 0.201 43 Q C 0.987 176.988 176.000 0.003 0.000 0.890 43 Q CA 0.368 56.172 55.803 0.002 0.000 0.947 43 Q CB 0.556 29.295 28.738 0.001 0.000 1.081 43 Q HN 0.273 nan 8.270 nan 0.000 0.502 44 G N 1.431 110.233 108.800 0.004 0.000 2.011 44 G HA2 -0.098 3.862 3.960 0.000 0.000 0.054 44 G HA3 -0.098 3.862 3.960 0.000 0.000 0.054 44 G C -1.425 173.479 174.900 0.006 0.000 0.853 44 G CA -0.453 44.650 45.100 0.005 0.000 1.135 44 G HN 0.160 nan 8.290 nan 0.000 0.372 45 K N -0.518 119.887 120.400 0.008 0.000 2.508 45 K HA 0.801 5.121 4.320 0.000 0.000 0.260 45 K C -1.760 174.847 176.600 0.013 0.000 0.949 45 K CA -0.979 55.315 56.287 0.011 0.000 0.834 45 K CB 2.870 35.378 32.500 0.013 0.000 1.365 45 K HN 0.959 nan 8.250 nan 0.000 0.437 46 L N 2.457 123.689 121.223 0.015 0.000 2.298 46 L HA 0.359 4.699 4.340 0.000 0.000 0.284 46 L C -1.027 175.857 176.870 0.024 0.000 1.013 46 L CA -0.505 54.346 54.840 0.018 0.000 0.824 46 L CB 1.722 43.790 42.059 0.015 0.000 1.221 46 L HN 0.593 nan 8.230 nan 0.000 0.418 47 V N 5.529 125.458 119.914 0.026 0.000 3.051 47 V HA 0.357 4.477 4.120 0.000 0.000 0.306 47 V C 0.558 176.674 176.094 0.037 0.000 1.083 47 V CA -0.316 62.004 62.300 0.033 0.000 1.104 47 V CB 1.004 32.847 31.823 0.034 0.000 1.027 47 V HN 0.754 nan 8.190 nan 0.000 0.483 48 L N 1.370 122.620 121.223 0.045 0.000 2.251 48 L HA 0.750 5.090 4.340 0.000 0.000 0.244 48 L C -0.503 176.399 176.870 0.053 0.000 1.095 48 L CA -0.620 54.248 54.840 0.047 0.000 0.910 48 L CB 2.205 44.295 42.059 0.052 0.000 1.516 48 L HN 0.716 nan 8.230 nan 0.000 0.429 49 E N -0.063 120.166 120.200 0.048 0.000 2.343 49 E HA 0.320 4.670 4.350 0.000 0.000 0.286 49 E C -1.780 174.837 176.600 0.028 0.000 0.915 49 E CA -0.528 55.898 56.400 0.044 0.000 0.784 49 E CB 2.441 32.172 29.700 0.052 0.000 1.251 49 E HN 0.260 nan 8.360 nan 0.000 0.407 50 V N 3.393 123.321 119.914 0.023 0.000 2.585 50 V HA 0.157 4.277 4.120 0.000 0.000 0.296 50 V C 1.027 177.125 176.094 0.007 0.000 1.035 50 V CA 1.062 63.378 62.300 0.026 0.000 1.084 50 V CB 0.946 32.794 31.823 0.041 0.000 0.953 50 V HN 0.867 nan 8.190 nan 0.000 0.483 51 A N 3.936 126.766 122.820 0.016 0.000 1.963 51 A HA 0.300 4.620 4.320 0.000 0.000 0.207 51 A C 0.753 178.342 177.584 0.009 0.000 1.243 51 A CA 0.432 52.469 52.037 -0.001 0.000 0.728 51 A CB 0.250 19.251 19.000 0.000 0.000 0.895 51 A HN 0.819 nan 8.150 nan 0.000 0.467 52 Q N -1.840 117.990 119.800 0.050 0.000 2.590 52 Q HA 0.386 4.726 4.340 0.000 0.000 0.295 52 Q C -1.623 174.499 176.000 0.202 0.000 0.973 52 Q CA -0.644 55.203 55.803 0.073 0.000 0.768 52 Q CB 1.562 30.323 28.738 0.037 0.000 1.479 52 Q HN 0.571 nan 8.270 nan 0.000 0.419 53 H N 1.317 120.357 119.070 -0.049 0.000 2.673 53 H HA 0.199 4.755 4.556 0.000 0.000 0.293 53 H C 0.436 175.739 175.328 -0.042 0.000 1.065 53 H CA -0.314 55.700 56.048 -0.056 0.000 1.236 53 H CB 1.014 30.735 29.762 -0.068 0.000 1.389 53 H HN 0.429 nan 8.280 nan 0.000 0.481 54 L N 2.816 124.059 121.223 0.034 0.000 2.012 54 L HA -0.090 4.250 4.340 0.000 0.000 0.210 54 L C 1.207 178.081 176.870 0.007 0.000 1.073 54 L CA 1.787 56.634 54.840 0.012 0.000 0.748 54 L CB -0.090 41.965 42.059 -0.007 0.000 0.891 54 L HN 0.906 nan 8.230 nan 0.000 0.431 55 G N -1.216 107.577 108.800 -0.012 0.000 2.697 55 G HA2 0.004 3.964 3.960 0.000 0.000 0.684 55 G HA3 0.004 3.964 3.960 0.000 0.000 0.684 55 G C -0.338 174.540 174.900 -0.036 0.000 1.274 55 G CA -0.452 44.640 45.100 -0.014 0.000 0.806 55 G HN 0.198 nan 8.290 nan 0.000 0.644 56 E N 0.930 121.108 120.200 -0.037 0.000 2.298 56 E HA -0.238 4.112 4.350 0.000 0.000 0.235 56 E C 0.762 177.269 176.600 -0.156 0.000 1.167 56 E CA 0.579 56.951 56.400 -0.048 0.000 0.708 56 E CB -1.200 28.495 29.700 -0.008 0.000 1.236 56 E HN 1.115 nan 8.360 nan 0.000 0.386 57 N N -1.254 117.347 118.700 -0.166 0.000 2.708 57 N HA -0.152 4.588 4.740 0.000 0.000 0.251 57 N C -0.528 174.764 175.510 -0.363 0.000 1.123 57 N CA 1.984 54.881 53.050 -0.255 0.000 0.739 57 N CB -0.850 37.496 38.487 -0.234 0.000 1.113 57 N HN 0.338 nan 8.380 nan 0.000 0.561 58 T N 0.177 114.571 114.554 -0.267 0.000 2.824 58 T HA 0.587 4.937 4.350 0.000 0.000 0.280 58 T C 0.508 175.130 174.700 -0.130 0.000 0.995 58 T CA -0.688 61.310 62.100 -0.170 0.000 1.009 58 T CB 2.628 71.437 68.868 -0.098 0.000 0.955 58 T HN 0.116 nan 8.240 nan 0.000 0.452 59 V N 1.249 121.115 119.914 -0.080 0.000 2.680 59 V HA 0.736 4.856 4.120 0.000 0.000 0.309 59 V C -0.349 175.745 176.094 -0.000 0.000 1.052 59 V CA -1.404 60.837 62.300 -0.098 0.000 0.908 59 V CB 1.688 33.371 31.823 -0.232 0.000 1.001 59 V HN 0.824 nan 8.190 nan 0.000 0.431 60 R N 2.569 123.079 120.500 0.016 0.000 2.265 60 R HA 0.704 5.044 4.340 0.000 0.000 0.319 60 R C -0.187 176.131 176.300 0.030 0.000 1.006 60 R CA 0.286 56.401 56.100 0.026 0.000 0.880 60 R CB 1.348 31.661 30.300 0.022 0.000 1.077 60 R HN 1.130 nan 8.270 nan 0.000 0.454 61 T N 2.095 116.668 114.554 0.032 0.000 2.848 61 T HA 0.444 4.794 4.350 0.000 0.000 0.285 61 T C 0.073 174.788 174.700 0.024 0.000 0.995 61 T CA -0.776 61.343 62.100 0.032 0.000 0.970 61 T CB 0.936 69.832 68.868 0.047 0.000 0.976 61 T HN 0.416 nan 8.240 nan 0.000 0.441 62 I N 3.185 123.767 120.570 0.019 0.000 2.395 62 I HA 0.517 4.687 4.170 0.000 0.000 0.289 62 I C 1.107 177.237 176.117 0.022 0.000 1.023 62 I CA -0.641 60.668 61.300 0.014 0.000 1.350 62 I CB 1.114 39.117 38.000 0.005 0.000 1.409 62 I HN 0.967 nan 8.210 nan 0.000 0.507 63 A N 7.470 130.301 122.820 0.019 0.000 2.296 63 A HA 0.483 4.803 4.320 0.000 0.000 0.264 63 A C 0.493 178.091 177.584 0.023 0.000 1.097 63 A CA -0.209 51.841 52.037 0.022 0.000 0.811 63 A CB 0.450 19.461 19.000 0.018 0.000 1.072 63 A HN 0.738 nan 8.150 nan 0.000 0.495 64 M N 0.426 120.041 119.600 0.026 0.000 2.596 64 M HA 0.317 4.797 4.480 0.000 0.000 0.364 64 M C -0.412 175.901 176.300 0.021 0.000 1.158 64 M CA 0.183 55.499 55.300 0.027 0.000 0.940 64 M CB -0.729 31.891 32.600 0.034 0.000 1.388 64 M HN 0.798 nan 8.290 nan 0.000 0.522 65 D N -0.821 119.590 120.400 0.017 0.000 3.485 65 D HA 0.269 4.909 4.640 0.000 0.000 0.358 65 D C -0.584 175.722 176.300 0.011 0.000 1.487 65 D CA -0.157 53.851 54.000 0.014 0.000 0.922 65 D CB 0.774 41.582 40.800 0.014 0.000 1.479 65 D HN 0.167 nan 8.370 nan 0.000 0.567 66 G N -0.406 108.399 108.800 0.008 0.000 2.432 66 G HA2 0.347 4.307 3.960 0.000 0.000 0.239 66 G HA3 0.347 4.307 3.960 0.000 0.000 0.239 66 G C 0.727 175.631 174.900 0.007 0.000 1.291 66 G CA 0.692 45.796 45.100 0.006 0.000 0.863 66 G HN 0.340 nan 8.290 nan 0.000 0.560 67 T N -1.092 113.465 114.554 0.006 0.000 3.223 67 T HA 0.180 4.530 4.350 0.000 0.000 0.259 67 T C 0.596 175.298 174.700 0.004 0.000 1.015 67 T CA -0.292 61.811 62.100 0.006 0.000 0.908 67 T CB 0.029 68.901 68.868 0.006 0.000 1.054 67 T HN 0.638 nan 8.240 nan 0.000 0.567 68 E N 1.694 121.895 120.200 0.003 0.000 2.299 68 E HA 0.330 4.680 4.350 0.000 0.000 0.272 68 E C 0.919 177.520 176.600 0.001 0.000 1.043 68 E CA 0.227 56.628 56.400 0.002 0.000 0.895 68 E CB 0.309 30.010 29.700 0.002 0.000 1.011 68 E HN 0.476 nan 8.360 nan 0.000 0.432 69 G N 3.742 112.542 108.800 0.001 0.000 2.147 69 G HA2 -0.257 3.703 3.960 0.000 0.000 0.244 69 G HA3 -0.257 3.703 3.960 0.000 0.000 0.244 69 G C 0.053 174.952 174.900 -0.001 0.000 1.005 69 G CA 0.199 45.299 45.100 -0.000 0.000 0.713 69 G HN 0.526 nan 8.290 nan 0.000 0.515 70 L N 0.299 121.522 121.223 0.000 0.000 2.349 70 L HA 0.523 4.863 4.340 0.000 0.000 0.275 70 L C 0.541 177.410 176.870 -0.003 0.000 1.115 70 L CA -0.675 54.165 54.840 -0.000 0.000 0.820 70 L CB 1.500 43.561 42.059 0.003 0.000 1.135 70 L HN -0.027 nan 8.230 nan 0.000 0.445 71 V N 4.320 124.231 119.914 -0.005 0.000 2.417 71 V HA 0.338 4.458 4.120 0.000 0.000 0.291 71 V C 0.291 176.378 176.094 -0.011 0.000 1.024 71 V CA -0.827 61.468 62.300 -0.008 0.000 0.861 71 V CB 1.672 33.489 31.823 -0.011 0.000 0.985 71 V HN 0.668 nan 8.190 nan 0.000 0.436 72 R N 3.102 123.595 120.500 -0.011 0.000 2.399 72 R HA 0.407 4.747 4.340 0.000 0.000 0.324 72 R C 1.216 177.503 176.300 -0.023 0.000 1.030 72 R CA 0.964 57.056 56.100 -0.013 0.000 0.984 72 R CB 0.116 30.410 30.300 -0.010 0.000 0.961 72 R HN 1.164 nan 8.270 nan 0.000 0.433 73 G N 2.269 111.051 108.800 -0.030 0.000 2.255 73 G HA2 -0.232 3.728 3.960 0.000 0.000 0.196 73 G HA3 -0.232 3.728 3.960 0.000 0.000 0.196 73 G C 0.147 175.018 174.900 -0.048 0.000 0.998 73 G CA -0.378 44.695 45.100 -0.044 0.000 0.656 73 G HN 0.573 nan 8.290 nan 0.000 0.490 74 E N 1.178 121.356 120.200 -0.037 0.000 2.404 74 E HA 0.311 4.661 4.350 0.000 0.000 0.261 74 E C 0.251 176.823 176.600 -0.046 0.000 1.074 74 E CA -0.325 56.054 56.400 -0.035 0.000 0.917 74 E CB 0.325 30.011 29.700 -0.023 0.000 0.965 74 E HN 0.226 nan 8.360 nan 0.000 0.433 75 K N 1.791 122.165 120.400 -0.044 0.000 2.451 75 K HA 0.096 4.417 4.320 0.000 0.000 0.280 75 K C -0.960 175.614 176.600 -0.044 0.000 1.020 75 K CA -0.128 56.127 56.287 -0.054 0.000 1.008 75 K CB 0.768 33.243 32.500 -0.041 0.000 0.917 75 K HN 0.221 nan 8.250 nan 0.000 0.478 76 V N 5.697 125.572 119.914 -0.066 0.000 2.448 76 V HA 0.205 4.325 4.120 0.000 0.000 0.295 76 V C 0.216 176.309 176.094 -0.001 0.000 1.025 76 V CA -0.760 61.524 62.300 -0.027 0.000 0.859 76 V CB 1.349 33.157 31.823 -0.025 0.000 0.988 76 V HN 0.657 nan 8.190 nan 0.000 0.431 77 L N 2.852 124.100 121.223 0.041 0.000 2.977 77 L HA 0.716 5.056 4.340 0.000 0.000 0.175 77 L C -0.236 176.709 176.870 0.124 0.000 1.360 77 L CA 0.387 55.266 54.840 0.065 0.000 1.392 77 L CB 0.725 42.811 42.059 0.046 0.000 2.342 77 L HN 0.820 nan 8.230 nan 0.000 0.524 78 D N -1.705 118.756 120.400 0.102 0.000 2.414 78 D HA 0.068 4.708 4.640 0.000 0.000 0.187 78 D C -0.170 176.170 176.300 0.066 0.000 1.255 78 D CA 0.399 54.460 54.000 0.102 0.000 0.825 78 D CB 0.828 41.707 40.800 0.132 0.000 1.912 78 D HN 0.600 nan 8.370 nan 0.000 0.530 79 T N 0.876 115.462 114.554 0.053 0.000 3.215 79 T HA 0.387 4.737 4.350 0.000 0.000 0.254 79 T C 1.476 176.197 174.700 0.035 0.000 1.149 79 T CA 1.293 63.417 62.100 0.040 0.000 1.042 79 T CB -0.031 68.859 68.868 0.035 0.000 0.966 79 T HN 0.884 nan 8.240 nan 0.000 0.534 80 G N 0.420 109.243 108.800 0.037 0.000 3.329 80 G HA2 -0.099 3.861 3.960 0.000 0.000 0.220 80 G HA3 -0.099 3.861 3.960 0.000 0.000 0.220 80 G C 0.502 175.416 174.900 0.023 0.000 1.358 80 G CA -0.136 44.981 45.100 0.028 0.000 0.856 80 G HN 1.185 nan 8.290 nan 0.000 0.551 81 G N 0.564 109.380 108.800 0.027 0.000 3.209 81 G HA2 0.780 4.740 3.960 0.000 0.000 0.236 81 G HA3 0.780 4.740 3.960 0.000 0.000 0.236 81 G C -2.813 172.115 174.900 0.046 0.000 1.329 81 G CA -0.193 44.925 45.100 0.031 0.000 1.015 81 G HN 0.517 nan 8.290 nan 0.000 0.571 82 P HA 0.283 nan 4.420 nan 0.000 0.286 82 P C -0.068 177.281 177.300 0.081 0.000 1.293 82 P CA -0.510 62.657 63.100 0.110 0.000 0.770 82 P CB 0.465 32.285 31.700 0.200 0.000 1.206 83 I N -0.451 120.174 120.570 0.093 0.000 2.710 83 I HA 0.025 4.195 4.170 0.000 0.000 0.286 83 I C 0.683 176.797 176.117 -0.005 0.000 1.181 83 I CA 0.963 62.286 61.300 0.038 0.000 1.430 83 I CB -0.174 37.847 38.000 0.035 0.000 1.367 83 I HN 0.145 nan 8.210 nan 0.000 0.577 84 S N 4.826 120.523 115.700 -0.006 0.000 2.503 84 S HA 0.747 5.217 4.470 0.000 0.000 0.301 84 S C -0.513 174.071 174.600 -0.026 0.000 1.087 84 S CA -0.701 57.488 58.200 -0.018 0.000 1.042 84 S CB 2.105 65.300 63.200 -0.007 0.000 1.043 84 S HN 0.528 nan 8.310 nan 0.000 0.489 85 V N 0.453 120.345 119.914 -0.037 0.000 3.049 85 V HA 0.814 4.934 4.120 0.000 0.000 0.309 85 V C -2.958 173.105 176.094 -0.053 0.000 1.148 85 V CA -2.730 59.546 62.300 -0.040 0.000 0.990 85 V CB 1.925 33.722 31.823 -0.045 0.000 1.039 85 V HN 0.645 nan 8.190 nan 0.000 0.430 86 P HA 0.495 nan 4.420 nan 0.000 0.276 86 P C -0.593 176.624 177.300 -0.139 0.000 1.252 86 P CA -0.168 62.877 63.100 -0.092 0.000 0.802 86 P CB 1.676 33.330 31.700 -0.076 0.000 1.035 87 V N -4.198 115.569 119.914 -0.246 0.000 3.102 87 V HA 0.891 5.011 4.120 0.000 0.000 0.312 87 V C 0.385 176.063 176.094 -0.693 0.000 1.135 87 V CA -0.082 61.962 62.300 -0.427 0.000 1.022 87 V CB 0.703 32.238 31.823 -0.480 0.000 1.056 87 V HN 1.039 nan 8.190 nan 0.000 0.436 88 G N 1.861 110.052 108.800 -1.015 0.000 2.562 88 G HA2 -0.227 3.733 3.960 0.000 0.000 0.250 88 G HA3 -0.227 3.733 3.960 0.000 0.000 0.250 88 G C 0.558 175.093 174.900 -0.609 0.000 1.269 88 G CA 0.586 44.869 45.100 -1.362 0.000 0.919 88 G HN 1.006 nan 8.290 nan 0.000 0.574 89 R N 0.414 120.679 120.500 -0.391 0.000 2.193 89 R HA -0.044 4.296 4.340 0.000 0.000 0.229 89 R C 2.119 178.426 176.300 0.012 0.000 1.110 89 R CA 1.337 57.426 56.100 -0.019 0.000 0.988 89 R CB -0.165 30.164 30.300 0.048 0.000 0.871 89 R HN 0.573 nan 8.270 nan 0.000 0.458 90 E N -0.071 120.083 120.200 -0.076 0.000 2.482 90 E HA -0.062 4.288 4.350 0.000 0.000 0.196 90 E C 1.294 177.888 176.600 -0.010 0.000 1.047 90 E CA 1.044 57.422 56.400 -0.037 0.000 0.869 90 E CB 0.340 29.998 29.700 -0.070 0.000 0.836 90 E HN 0.383 nan 8.360 nan 0.000 0.520 91 T N -2.158 112.395 114.554 -0.002 0.000 3.086 91 T HA 0.216 4.566 4.350 0.000 0.000 0.250 91 T C 0.996 175.749 174.700 0.088 0.000 1.074 91 T CA -0.233 61.886 62.100 0.032 0.000 0.988 91 T CB -0.050 68.826 68.868 0.014 0.000 0.988 91 T HN -0.111 nan 8.240 nan 0.000 0.530 92 L N 1.537 122.828 121.223 0.113 0.000 2.426 92 L HA 0.520 4.860 4.340 0.000 0.000 0.271 92 L C 1.610 178.544 176.870 0.107 0.000 1.169 92 L CA 0.472 55.388 54.840 0.125 0.000 0.836 92 L CB 0.178 42.332 42.059 0.158 0.000 1.112 92 L HN 0.452 nan 8.230 nan 0.000 0.465 93 G N 1.282 110.148 108.800 0.111 0.000 2.203 93 G HA2 -0.225 3.735 3.960 0.000 0.000 0.263 93 G HA3 -0.225 3.735 3.960 0.000 0.000 0.263 93 G C 0.358 175.353 174.900 0.158 0.000 1.012 93 G CA -0.026 45.143 45.100 0.116 0.000 0.749 93 G HN 0.483 nan 8.290 nan 0.000 0.512 94 R N -0.932 119.660 120.500 0.152 0.000 2.893 94 R HA 0.831 5.171 4.340 0.000 0.000 0.245 94 R C 0.360 176.753 176.300 0.156 0.000 1.192 94 R CA -0.975 55.212 56.100 0.145 0.000 1.077 94 R CB 0.758 31.111 30.300 0.089 0.000 1.253 94 R HN 0.263 nan 8.270 nan 0.000 0.505 95 I N 1.011 121.640 120.570 0.098 0.000 2.509 95 I HA 0.460 4.630 4.170 0.000 0.000 0.293 95 I C -0.628 175.529 176.117 0.066 0.000 1.020 95 I CA -0.870 60.485 61.300 0.091 0.000 1.088 95 I CB 1.825 39.831 38.000 0.010 0.000 1.267 95 I HN 0.256 nan 8.210 nan 0.000 0.430 96 I N 4.763 125.378 120.570 0.075 0.000 2.499 96 I HA 0.259 4.429 4.170 0.000 0.000 0.288 96 I C -0.100 176.049 176.117 0.053 0.000 1.048 96 I CA -0.359 60.967 61.300 0.045 0.000 1.062 96 I CB 1.787 39.801 38.000 0.024 0.000 1.238 96 I HN 0.666 nan 8.210 nan 0.000 0.426 97 N N 5.054 123.780 118.700 0.043 0.000 2.328 97 N HA 0.131 4.871 4.740 0.000 0.000 0.277 97 N C 0.931 176.459 175.510 0.029 0.000 1.286 97 N CA -0.519 52.559 53.050 0.046 0.000 0.949 97 N CB 0.181 38.690 38.487 0.037 0.000 1.136 97 N HN 0.321 nan 8.380 nan 0.000 0.550 98 V N -0.469 119.464 119.914 0.031 0.000 2.332 98 V HA -0.149 3.971 4.120 0.000 0.000 0.248 98 V C 1.610 177.709 176.094 0.009 0.000 1.055 98 V CA 2.019 64.332 62.300 0.021 0.000 1.038 98 V CB -0.875 30.967 31.823 0.031 0.000 0.651 98 V HN 0.687 nan 8.190 nan 0.000 0.450 99 I N -2.128 118.449 120.570 0.012 0.000 3.810 99 I HA 0.512 4.682 4.170 0.000 0.000 0.322 99 I C 1.327 177.444 176.117 0.001 0.000 1.288 99 I CA 0.730 62.035 61.300 0.008 0.000 1.143 99 I CB -0.224 37.786 38.000 0.016 0.000 1.012 99 I HN 0.333 nan 8.210 nan 0.000 0.423 100 G N 0.757 109.557 108.800 -0.001 0.000 2.195 100 G HA2 -0.265 3.695 3.960 0.000 0.000 0.246 100 G HA3 -0.265 3.695 3.960 0.000 0.000 0.246 100 G C 0.059 174.959 174.900 -0.000 0.000 0.984 100 G CA 0.128 45.225 45.100 -0.006 0.000 0.633 100 G HN 0.600 nan 8.290 nan 0.000 0.525 101 E N 1.867 122.071 120.200 0.006 0.000 2.408 101 E HA 0.365 4.715 4.350 0.000 0.000 0.259 101 E C -2.081 174.525 176.600 0.010 0.000 1.110 101 E CA -1.250 55.154 56.400 0.007 0.000 0.929 101 E CB 0.755 30.459 29.700 0.008 0.000 0.971 101 E HN 0.204 nan 8.360 nan 0.000 0.438 102 P HA 0.037 nan 4.420 nan 0.000 0.276 102 P C -0.158 177.145 177.300 0.006 0.000 1.243 102 P CA 0.463 63.569 63.100 0.011 0.000 0.768 102 P CB 0.141 31.848 31.700 0.011 0.000 0.856 103 I N -0.025 120.546 120.570 0.002 0.000 3.762 103 I HA 0.277 4.447 4.170 0.000 0.000 0.333 103 I C 0.095 176.186 176.117 -0.044 0.000 1.566 103 I CA -0.255 61.037 61.300 -0.013 0.000 1.129 103 I CB -0.041 37.956 38.000 -0.005 0.000 1.218 103 I HN 0.032 nan 8.210 nan 0.000 0.456 104 D N 0.246 120.626 120.400 -0.033 0.000 2.469 104 D HA 0.028 4.668 4.640 0.000 0.000 0.215 104 D C 0.301 176.596 176.300 -0.008 0.000 1.154 104 D CA -0.228 53.742 54.000 -0.051 0.000 0.832 104 D CB -0.162 40.614 40.800 -0.040 0.000 1.008 104 D HN 0.452 nan 8.370 nan 0.000 0.506 105 E N 0.341 120.539 120.200 -0.003 0.000 2.360 105 E HA -0.244 4.106 4.350 0.000 0.000 0.238 105 E C -0.039 176.571 176.600 0.018 0.000 1.186 105 E CA 0.302 56.705 56.400 0.006 0.000 0.719 105 E CB -1.218 28.483 29.700 0.002 0.000 1.236 105 E HN 0.394 nan 8.360 nan 0.000 0.386 106 R N -0.125 120.389 120.500 0.023 0.000 2.690 106 R HA 0.320 4.660 4.340 0.000 0.000 0.419 106 R C 0.575 176.890 176.300 0.024 0.000 1.090 106 R CA 0.248 56.367 56.100 0.030 0.000 1.064 106 R CB 1.256 31.584 30.300 0.048 0.000 1.391 106 R HN 0.332 nan 8.270 nan 0.000 0.586 107 G N 2.080 110.890 108.800 0.017 0.000 2.660 107 G HA2 -0.205 3.755 3.960 0.000 0.000 0.247 107 G HA3 -0.205 3.755 3.960 0.000 0.000 0.247 107 G C -2.705 172.202 174.900 0.011 0.000 1.328 107 G CA -1.104 44.003 45.100 0.013 0.000 0.884 107 G HN 0.102 nan 8.290 nan 0.000 0.531 108 P HA 0.573 nan 4.420 nan 0.000 0.276 108 P C -0.150 177.152 177.300 0.003 0.000 1.252 108 P CA -0.462 62.640 63.100 0.004 0.000 0.802 108 P CB 0.668 32.369 31.700 0.001 0.000 1.035 109 I N 1.397 121.966 120.570 -0.002 0.000 2.325 109 I HA 0.193 4.363 4.170 0.000 0.000 0.291 109 I C 1.202 177.308 176.117 -0.018 0.000 1.019 109 I CA -0.161 61.135 61.300 -0.008 0.000 1.302 109 I CB 0.596 38.588 38.000 -0.013 0.000 1.401 109 I HN 0.126 nan 8.210 nan 0.000 0.485 110 K N 4.796 125.185 120.400 -0.018 0.000 2.994 110 K HA 0.138 4.458 4.320 0.000 0.000 0.231 110 K C 0.280 176.857 176.600 -0.038 0.000 1.174 110 K CA -0.241 56.033 56.287 -0.022 0.000 1.221 110 K CB 0.185 32.678 32.500 -0.012 0.000 1.166 110 K HN 0.734 nan 8.250 nan 0.000 0.453 111 S N -0.357 115.308 115.700 -0.059 0.000 2.592 111 S HA 0.155 4.625 4.470 0.000 0.000 0.271 111 S C 1.080 175.628 174.600 -0.088 0.000 1.326 111 S CA -0.564 57.577 58.200 -0.097 0.000 1.024 111 S CB 1.602 64.713 63.200 -0.148 0.000 0.921 111 S HN 0.195 nan 8.310 nan 0.000 0.527 112 K N 0.765 121.105 120.400 -0.100 0.000 2.026 112 K HA 0.065 4.385 4.320 0.000 0.000 0.208 112 K C 0.420 176.984 176.600 -0.059 0.000 1.048 112 K CA 1.068 57.316 56.287 -0.065 0.000 0.929 112 K CB -0.354 32.115 32.500 -0.051 0.000 0.713 112 K HN 0.557 nan 8.250 nan 0.000 0.439 113 L N -0.069 121.102 121.223 -0.087 0.000 2.304 113 L HA 0.398 4.738 4.340 0.000 0.000 0.268 113 L C -0.047 176.776 176.870 -0.078 0.000 1.010 113 L CA -0.892 53.913 54.840 -0.058 0.000 0.813 113 L CB 1.699 43.748 42.059 -0.017 0.000 1.315 113 L HN -0.038 nan 8.230 nan 0.000 0.445 114 R N 1.254 121.726 120.500 -0.047 0.000 2.629 114 R HA 0.230 4.570 4.340 0.000 0.000 0.275 114 R C -0.781 175.501 176.300 -0.030 0.000 1.719 114 R CA -0.617 55.454 56.100 -0.047 0.000 1.472 114 R CB 1.337 31.616 30.300 -0.036 0.000 1.237 114 R HN 0.443 nan 8.270 nan 0.000 0.589 115 K N 2.487 122.869 120.400 -0.030 0.000 2.455 115 K HA 0.046 4.366 4.320 0.000 0.000 0.269 115 K C -1.937 174.647 176.600 -0.026 0.000 0.972 115 K CA -0.706 55.572 56.287 -0.015 0.000 0.938 115 K CB 0.435 32.932 32.500 -0.005 0.000 0.931 115 K HN 0.189 nan 8.250 nan 0.000 0.507 116 P HA 0.094 nan 4.420 nan 0.000 0.297 116 P C 0.420 177.669 177.300 -0.086 0.000 1.303 116 P CA 0.086 63.165 63.100 -0.035 0.000 0.753 116 P CB 0.260 31.960 31.700 -0.000 0.000 1.281 117 I N -5.079 115.380 120.570 -0.184 0.000 4.327 117 I HA 0.294 4.464 4.170 0.000 0.000 0.331 117 I C 0.337 176.211 176.117 -0.406 0.000 1.348 117 I CA -0.085 61.035 61.300 -0.300 0.000 1.152 117 I CB -0.276 37.520 38.000 -0.341 0.000 1.151 117 I HN 0.105 nan 8.210 nan 0.000 0.410 118 H N 3.328 122.400 119.070 0.003 0.000 2.628 118 H HA 0.714 5.270 4.556 0.000 0.000 0.250 118 H C -0.288 175.038 175.328 -0.002 0.000 1.442 118 H CA -0.469 55.580 56.048 0.003 0.000 1.282 118 H CB 0.769 30.536 29.762 0.009 0.000 1.487 118 H HN 0.356 nan 8.280 nan 0.000 0.544 119 A N 2.460 125.313 122.820 0.055 0.000 2.312 119 A HA 0.266 4.586 4.320 0.000 0.000 0.328 119 A C 0.064 177.666 177.584 0.031 0.000 1.158 119 A CA -0.806 51.251 52.037 0.033 0.000 0.821 119 A CB 0.909 19.912 19.000 0.005 0.000 1.170 119 A HN 0.405 nan 8.150 nan 0.000 0.490 120 D N 2.348 122.762 120.400 0.024 0.000 2.443 120 D HA 0.292 4.932 4.640 0.000 0.000 0.239 120 D C -1.918 174.389 176.300 0.012 0.000 1.136 120 D CA -0.233 53.778 54.000 0.019 0.000 0.879 120 D CB 0.612 41.422 40.800 0.015 0.000 1.195 120 D HN 0.301 nan 8.370 nan 0.000 0.443 121 P HA 0.231 nan 4.420 nan 0.000 0.274 121 P C -2.568 174.739 177.300 0.012 0.000 1.231 121 P CA -1.290 61.816 63.100 0.010 0.000 0.790 121 P CB -0.364 31.347 31.700 0.018 0.000 0.951 122 P HA -0.036 nan 4.420 nan 0.000 0.261 122 P C 0.441 177.754 177.300 0.022 0.000 1.173 122 P CA 0.593 63.695 63.100 0.003 0.000 0.760 122 P CB 0.013 31.707 31.700 -0.010 0.000 0.783 123 S N 2.994 118.711 115.700 0.028 0.000 2.632 123 S HA 0.189 4.659 4.470 0.000 0.000 0.267 123 S C 1.043 175.696 174.600 0.088 0.000 1.276 123 S CA -0.561 57.679 58.200 0.067 0.000 0.998 123 S CB 0.181 63.419 63.200 0.064 0.000 0.953 123 S HN 0.358 nan 8.310 nan 0.000 0.547 124 F N 1.885 121.830 119.950 -0.007 0.000 2.111 124 F HA -0.231 4.296 4.527 0.000 0.000 0.300 124 F C 2.382 178.177 175.800 -0.008 0.000 1.088 124 F CA 2.096 60.091 58.000 -0.008 0.000 1.243 124 F CB -1.083 37.913 39.000 -0.008 0.000 0.996 124 F HN 0.752 nan 8.300 nan 0.000 0.483 125 A N -0.379 122.379 122.820 -0.103 0.000 1.969 125 A HA -0.173 4.147 4.320 0.000 0.000 0.218 125 A C 2.092 179.561 177.584 -0.190 0.000 1.169 125 A CA 1.619 53.540 52.037 -0.193 0.000 0.635 125 A CB -0.800 18.178 19.000 -0.036 0.000 0.810 125 A HN 0.589 nan 8.150 nan 0.000 0.445 126 E N 0.101 120.228 120.200 -0.122 0.000 2.347 126 E HA -0.073 4.277 4.350 0.000 0.000 0.196 126 E C 0.121 176.651 176.600 -0.116 0.000 1.008 126 E CA 0.025 56.369 56.400 -0.094 0.000 0.852 126 E CB 0.023 29.692 29.700 -0.052 0.000 0.783 126 E HN 0.584 nan 8.360 nan 0.000 0.505 127 Q N 0.435 120.129 119.800 -0.175 0.000 2.395 127 Q HA 0.112 4.452 4.340 0.000 0.000 0.271 127 Q C -0.278 175.635 176.000 -0.145 0.000 1.026 127 Q CA 0.424 56.133 55.803 -0.158 0.000 0.900 127 Q CB 1.560 30.175 28.738 -0.205 0.000 1.266 127 Q HN -0.082 nan 8.270 nan 0.000 0.430 128 S N 0.899 116.543 115.700 -0.093 0.000 2.737 128 S HA 0.318 4.788 4.470 0.000 0.000 0.269 128 S C -0.854 173.717 174.600 -0.048 0.000 1.150 128 S CA -0.621 57.537 58.200 -0.071 0.000 1.077 128 S CB 0.558 63.726 63.200 -0.054 0.000 1.075 128 S HN 0.581 nan 8.310 nan 0.000 0.476 129 T N 1.838 116.365 114.554 -0.044 0.000 2.882 129 T HA 0.802 5.152 4.350 0.000 0.000 0.287 129 T C -0.163 174.528 174.700 -0.016 0.000 0.992 129 T CA -0.563 61.522 62.100 -0.024 0.000 1.076 129 T CB 1.225 70.082 68.868 -0.019 0.000 0.961 129 T HN 0.834 nan 8.240 nan 0.000 0.490 130 S N 0.575 116.271 115.700 -0.006 0.000 2.533 130 S HA 0.684 5.154 4.470 0.000 0.000 0.271 130 S C -0.303 174.301 174.600 0.007 0.000 1.143 130 S CA -0.921 57.278 58.200 -0.001 0.000 0.891 130 S CB 1.506 64.706 63.200 -0.001 0.000 1.105 130 S HN 1.278 nan 8.310 nan 0.000 0.468 131 A N 1.161 123.986 122.820 0.007 0.000 3.264 131 A HA 0.475 4.795 4.320 0.000 0.000 0.299 131 A C 0.170 177.761 177.584 0.013 0.000 1.272 131 A CA -0.379 51.665 52.037 0.011 0.000 1.030 131 A CB -0.337 18.667 19.000 0.006 0.000 1.102 131 A HN 0.756 nan 8.150 nan 0.000 0.615 132 E N 1.140 121.350 120.200 0.018 0.000 2.109 132 E HA 0.323 4.673 4.350 0.000 0.000 0.278 132 E C -0.783 175.836 176.600 0.032 0.000 0.954 132 E CA -0.473 55.938 56.400 0.019 0.000 0.779 132 E CB 0.903 30.613 29.700 0.017 0.000 1.093 132 E HN 0.625 nan 8.360 nan 0.000 0.401 133 I N 4.870 125.456 120.570 0.028 0.000 2.692 133 I HA -0.012 4.158 4.170 0.000 0.000 0.284 133 I C -0.747 175.402 176.117 0.052 0.000 1.159 133 I CA -0.143 61.179 61.300 0.036 0.000 1.423 133 I CB 0.458 38.468 38.000 0.015 0.000 1.380 133 I HN 0.471 nan 8.210 nan 0.000 0.580 134 L N 7.917 129.186 121.223 0.076 0.000 2.353 134 L HA 0.424 4.764 4.340 0.000 0.000 0.270 134 L C -0.392 176.519 176.870 0.068 0.000 1.003 134 L CA -0.160 54.737 54.840 0.094 0.000 0.862 134 L CB 1.266 43.415 42.059 0.151 0.000 1.221 134 L HN 0.616 nan 8.230 nan 0.000 0.430 135 E N 1.704 121.932 120.200 0.046 0.000 2.373 135 E HA 0.223 4.573 4.350 0.000 0.000 0.267 135 E C 0.134 176.744 176.600 0.016 0.000 1.032 135 E CA 0.652 57.065 56.400 0.021 0.000 0.889 135 E CB 0.914 30.630 29.700 0.026 0.000 0.984 135 E HN 0.777 nan 8.360 nan 0.000 0.425 136 T N 0.144 114.685 114.554 -0.022 0.000 3.058 136 T HA 0.276 4.626 4.350 0.000 0.000 0.278 136 T C 1.235 175.905 174.700 -0.050 0.000 0.974 136 T CA 0.219 62.298 62.100 -0.035 0.000 0.893 136 T CB 0.546 69.358 68.868 -0.094 0.000 1.138 136 T HN 0.698 nan 8.240 nan 0.000 0.529 137 G N 1.973 110.756 108.800 -0.029 0.000 2.175 137 G HA2 -0.240 3.720 3.960 0.000 0.000 0.265 137 G HA3 -0.240 3.720 3.960 0.000 0.000 0.265 137 G C -0.005 174.887 174.900 -0.013 0.000 0.979 137 G CA 0.491 45.578 45.100 -0.022 0.000 0.663 137 G HN 0.704 nan 8.290 nan 0.000 0.533 138 I N -0.115 120.446 120.570 -0.015 0.000 2.354 138 I HA 0.296 4.466 4.170 0.000 0.000 0.292 138 I C 1.490 177.630 176.117 0.038 0.000 0.989 138 I CA -0.940 60.385 61.300 0.042 0.000 1.188 138 I CB 1.525 39.558 38.000 0.054 0.000 1.342 138 I HN -0.078 nan 8.210 nan 0.000 0.457 139 K N 3.289 123.719 120.400 0.050 0.000 1.985 139 K HA -0.146 4.174 4.320 0.000 0.000 0.210 139 K C 1.781 178.377 176.600 -0.007 0.000 1.047 139 K CA 1.310 57.613 56.287 0.027 0.000 0.932 139 K CB -0.045 32.472 32.500 0.028 0.000 0.716 139 K HN 0.565 nan 8.250 nan 0.000 0.439 140 V N 1.146 121.070 119.914 0.018 0.000 2.515 140 V HA -0.175 3.945 4.120 0.000 0.000 0.250 140 V C 2.003 178.095 176.094 -0.003 0.000 1.058 140 V CA 1.379 63.667 62.300 -0.019 0.000 1.064 140 V CB 0.046 31.888 31.823 0.032 0.000 0.675 140 V HN 0.104 nan 8.190 nan 0.000 0.461 141 V N 0.354 120.290 119.914 0.037 0.000 2.229 141 V HA -0.182 3.938 4.120 0.000 0.000 0.243 141 V C 2.421 178.466 176.094 -0.082 0.000 1.042 141 V CA 2.401 64.684 62.300 -0.028 0.000 1.000 141 V CB -0.901 30.872 31.823 -0.083 0.000 0.637 141 V HN 0.528 nan 8.190 nan 0.000 0.446 142 D N -0.143 120.215 120.400 -0.070 0.000 2.149 142 D HA -0.168 4.472 4.640 0.000 0.000 0.198 142 D C 1.955 178.294 176.300 0.065 0.000 0.990 142 D CA 1.332 55.319 54.000 -0.023 0.000 0.839 142 D CB -0.114 40.689 40.800 0.005 0.000 0.948 142 D HN 0.325 nan 8.370 nan 0.000 0.460 143 L N -0.090 121.153 121.223 0.033 0.000 2.068 143 L HA -0.009 4.331 4.340 0.000 0.000 0.204 143 L C 2.165 179.069 176.870 0.057 0.000 1.076 143 L CA 1.181 56.058 54.840 0.061 0.000 0.753 143 L CB -0.050 41.903 42.059 -0.176 0.000 0.910 143 L HN -0.034 nan 8.230 nan 0.000 0.439 144 L N -1.371 119.834 121.223 -0.031 0.000 2.286 144 L HA 0.298 4.638 4.340 0.000 0.000 0.203 144 L C 0.890 177.754 176.870 -0.010 0.000 1.068 144 L CA 0.561 55.375 54.840 -0.043 0.000 0.811 144 L CB -0.209 41.805 42.059 -0.075 0.000 0.989 144 L HN 0.190 nan 8.230 nan 0.000 0.467 145 A N 0.682 123.507 122.820 0.009 0.000 3.370 145 A HA 0.456 4.776 4.320 0.000 0.000 0.295 145 A C -2.596 175.021 177.584 0.056 0.000 1.030 145 A CA -0.960 51.107 52.037 0.051 0.000 0.883 145 A CB -0.252 18.801 19.000 0.088 0.000 1.191 145 A HN -0.105 nan 8.150 nan 0.000 0.507 146 P HA 0.249 nan 4.420 nan 0.000 0.272 146 P C -0.901 176.477 177.300 0.130 0.000 1.223 146 P CA 0.220 63.301 63.100 -0.032 0.000 0.784 146 P CB 0.561 32.245 31.700 -0.027 0.000 0.923 147 Y N 0.129 120.466 120.300 0.061 0.000 2.307 147 Y HA 0.477 5.027 4.550 0.000 0.000 0.324 147 Y C 1.077 176.999 175.900 0.036 0.000 1.238 147 Y CA -1.556 56.576 58.100 0.053 0.000 1.280 147 Y CB 0.004 38.503 38.460 0.065 0.000 1.248 147 Y HN 0.397 nan 8.280 nan 0.000 0.508 148 A N 2.911 125.851 122.820 0.199 0.000 2.312 148 A HA 0.636 4.956 4.320 0.000 0.000 0.326 148 A C -0.028 177.612 177.584 0.093 0.000 1.172 148 A CA -0.998 51.104 52.037 0.109 0.000 0.821 148 A CB 0.376 19.417 19.000 0.068 0.000 1.166 148 A HN 0.834 nan 8.150 nan 0.000 0.493 149 R N 0.633 121.180 120.500 0.078 0.000 2.570 149 R HA 0.363 4.703 4.340 0.000 0.000 0.277 149 R C 1.322 177.646 176.300 0.040 0.000 1.039 149 R CA 1.620 57.761 56.100 0.068 0.000 1.065 149 R CB 0.243 30.580 30.300 0.063 0.000 0.964 149 R HN 1.606 nan 8.270 nan 0.000 0.428 150 G N 1.483 110.299 108.800 0.028 0.000 2.153 150 G HA2 -0.246 3.714 3.960 0.000 0.000 0.252 150 G HA3 -0.246 3.714 3.960 0.000 0.000 0.252 150 G C 0.374 175.266 174.900 -0.013 0.000 0.994 150 G CA 0.062 45.166 45.100 0.005 0.000 0.698 150 G HN 0.882 nan 8.290 nan 0.000 0.521 151 G N -0.893 107.895 108.800 -0.019 0.000 2.521 151 G HA2 0.633 4.593 3.960 0.000 0.000 0.323 151 G HA3 0.633 4.593 3.960 0.000 0.000 0.323 151 G C -0.222 174.634 174.900 -0.074 0.000 1.211 151 G CA -0.846 44.237 45.100 -0.029 0.000 0.979 151 G HN 0.352 nan 8.290 nan 0.000 0.490 152 K N -0.105 120.255 120.400 -0.067 0.000 2.183 152 K HA 0.489 4.809 4.320 0.000 0.000 0.274 152 K C -0.871 175.650 176.600 -0.131 0.000 1.009 152 K CA -0.149 56.079 56.287 -0.098 0.000 0.888 152 K CB 1.835 34.304 32.500 -0.051 0.000 1.078 152 K HN 0.248 nan 8.250 nan 0.000 0.459 153 I N 0.983 121.422 120.570 -0.217 0.000 2.569 153 I HA 0.408 4.578 4.170 0.000 0.000 0.296 153 I C 0.135 176.125 176.117 -0.213 0.000 1.028 153 I CA -0.641 60.480 61.300 -0.298 0.000 1.082 153 I CB 2.341 39.931 38.000 -0.684 0.000 1.264 153 I HN 0.645 nan 8.210 nan 0.000 0.429 154 G N 5.795 114.522 108.800 -0.123 0.000 2.542 154 G HA2 0.745 4.705 3.960 0.000 0.000 0.311 154 G HA3 0.745 4.705 3.960 0.000 0.000 0.311 154 G C -1.251 173.596 174.900 -0.088 0.000 1.298 154 G CA -0.551 44.450 45.100 -0.164 0.000 0.973 154 G HN 0.433 nan 8.290 nan 0.000 0.487 155 L N 1.885 122.972 121.223 -0.227 0.000 2.318 155 L HA 0.474 4.814 4.340 0.000 0.000 0.277 155 L C -0.902 175.832 176.870 -0.228 0.000 1.008 155 L CA -0.590 54.170 54.840 -0.133 0.000 0.846 155 L CB 0.989 42.988 42.059 -0.100 0.000 1.220 155 L HN 0.310 nan 8.230 nan 0.000 0.423 156 F N 1.256 121.139 119.950 -0.111 0.000 2.397 156 F HA 0.844 5.371 4.527 0.000 0.000 0.331 156 F C 0.941 176.704 175.800 -0.062 0.000 1.090 156 F CA -0.450 57.489 58.000 -0.101 0.000 1.065 156 F CB 2.061 40.998 39.000 -0.105 0.000 1.184 156 F HN 0.466 nan 8.300 nan 0.000 0.499 157 G N 0.290 109.144 108.800 0.091 0.000 2.384 157 G HA2 0.453 4.413 3.960 0.000 0.000 0.300 157 G HA3 0.453 4.413 3.960 0.000 0.000 0.300 157 G C -0.785 174.060 174.900 -0.093 0.000 1.582 157 G CA -0.392 44.724 45.100 0.027 0.000 0.875 157 G HN 0.919 nan 8.290 nan 0.000 0.628 158 G N -0.507 108.232 108.800 -0.103 0.000 2.611 158 G HA2 0.677 4.637 3.960 0.000 0.000 0.273 158 G HA3 0.677 4.637 3.960 0.000 0.000 0.273 158 G C 0.828 175.767 174.900 0.064 0.000 1.305 158 G CA 0.526 45.522 45.100 -0.173 0.000 1.010 158 G HN 1.838 nan 8.290 nan 0.000 0.509 159 A N -1.543 121.413 122.820 0.228 0.000 2.477 159 A HA 0.518 4.838 4.320 0.000 0.000 0.246 159 A C 1.583 179.261 177.584 0.157 0.000 1.078 159 A CA 1.112 53.333 52.037 0.306 0.000 0.770 159 A CB -0.387 18.785 19.000 0.288 0.000 1.011 159 A HN 2.554 nan 8.150 nan 0.000 0.494 160 G N 0.559 109.441 108.800 0.137 0.000 2.168 160 G HA2 -0.227 3.733 3.960 0.000 0.000 0.263 160 G HA3 -0.227 3.733 3.960 0.000 0.000 0.263 160 G C 0.873 175.839 174.900 0.110 0.000 0.977 160 G CA 0.997 46.154 45.100 0.095 0.000 0.659 160 G HN 2.160 nan 8.290 nan 0.000 0.533 161 V N -2.467 117.520 119.914 0.122 0.000 3.217 161 V HA 0.510 4.630 4.120 0.000 0.000 0.264 161 V C 1.890 178.101 176.094 0.195 0.000 1.135 161 V CA 1.553 63.931 62.300 0.131 0.000 1.142 161 V CB -0.275 31.597 31.823 0.082 0.000 0.754 161 V HN 2.247 nan 8.190 nan 0.000 0.484 162 G N 0.072 108.979 108.800 0.179 0.000 2.145 162 G HA2 -0.190 3.770 3.960 0.000 0.000 0.145 162 G HA3 -0.190 3.770 3.960 0.000 0.000 0.145 162 G C 0.540 175.597 174.900 0.263 0.000 1.017 162 G CA 0.231 45.455 45.100 0.206 0.000 0.682 162 G HN 0.469 nan 8.290 nan 0.000 0.504 163 K N -0.104 120.421 120.400 0.210 0.000 1.985 163 K HA -0.079 4.241 4.320 0.000 0.000 0.210 163 K C 2.562 179.329 176.600 0.278 0.000 1.047 163 K CA 1.924 58.342 56.287 0.218 0.000 0.932 163 K CB -0.464 32.123 32.500 0.146 0.000 0.716 163 K HN 0.294 nan 8.250 nan 0.000 0.439 164 T N 1.588 116.279 114.554 0.229 0.000 2.665 164 T HA -0.153 4.197 4.350 0.000 0.000 0.268 164 T C 2.126 176.978 174.700 0.253 0.000 1.035 164 T CA 1.601 63.841 62.100 0.233 0.000 1.151 164 T CB -0.385 68.597 68.868 0.189 0.000 0.862 164 T HN -0.036 nan 8.240 nan 0.000 0.438 165 V N 0.751 120.822 119.914 0.263 0.000 2.295 165 V HA -0.124 3.996 4.120 0.000 0.000 0.246 165 V C 1.984 178.287 176.094 0.350 0.000 1.049 165 V CA 1.669 64.149 62.300 0.299 0.000 1.024 165 V CB -0.774 31.224 31.823 0.292 0.000 0.648 165 V HN 0.392 nan 8.190 nan 0.000 0.447 166 F N 0.143 120.277 119.950 0.308 0.000 2.091 166 F HA -0.251 4.276 4.527 0.000 0.000 0.299 166 F C 2.170 178.045 175.800 0.126 0.000 1.103 166 F CA 2.029 60.219 58.000 0.317 0.000 1.228 166 F CB -0.214 38.985 39.000 0.331 0.000 0.984 166 F HN 0.049 nan 8.300 nan 0.000 0.477 167 I N -0.162 120.649 120.570 0.402 0.000 2.361 167 I HA -0.315 3.855 4.170 0.000 0.000 0.251 167 I C 2.105 178.275 176.117 0.088 0.000 1.133 167 I CA 1.385 62.863 61.300 0.297 0.000 1.413 167 I CB -0.268 37.934 38.000 0.336 0.000 1.073 167 I HN 0.298 nan 8.210 nan 0.000 0.424 168 Q N -0.294 119.537 119.800 0.053 0.000 2.311 168 Q HA -0.230 4.110 4.340 0.000 0.000 0.203 168 Q C 1.850 177.741 176.000 -0.181 0.000 0.954 168 Q CA 1.078 56.844 55.803 -0.062 0.000 0.885 168 Q CB 0.111 28.847 28.738 -0.003 0.000 0.963 168 Q HN 0.401 nan 8.270 nan 0.000 0.471 169 E N 1.088 121.103 120.200 -0.308 0.000 2.046 169 E HA -0.123 4.227 4.350 0.000 0.000 0.190 169 E C 1.723 178.064 176.600 -0.431 0.000 0.982 169 E CA 0.870 56.941 56.400 -0.548 0.000 0.800 169 E CB -0.193 28.687 29.700 -1.367 0.000 0.756 169 E HN 0.252 nan 8.360 nan 0.000 0.449 170 L N 0.333 121.339 121.223 -0.361 0.000 2.013 170 L HA -0.216 4.124 4.340 0.000 0.000 0.212 170 L C 2.578 179.382 176.870 -0.111 0.000 1.073 170 L CA 1.466 56.222 54.840 -0.140 0.000 0.753 170 L CB -0.564 41.564 42.059 0.114 0.000 0.890 170 L HN 0.217 nan 8.230 nan 0.000 0.432 171 I N -0.173 120.241 120.570 -0.260 0.000 2.315 171 I HA -0.320 3.850 4.170 0.000 0.000 0.251 171 I C 2.228 178.228 176.117 -0.196 0.000 1.125 171 I CA 1.296 62.380 61.300 -0.360 0.000 1.392 171 I CB -0.384 37.306 38.000 -0.516 0.000 1.065 171 I HN 0.352 nan 8.210 nan 0.000 0.424 172 N N 0.877 119.468 118.700 -0.182 0.000 2.109 172 N HA -0.141 4.599 4.740 0.000 0.000 0.188 172 N C 1.558 177.010 175.510 -0.097 0.000 1.034 172 N CA 1.452 54.420 53.050 -0.136 0.000 0.846 172 N CB -0.057 38.343 38.487 -0.146 0.000 1.010 172 N HN 0.232 nan 8.380 nan 0.000 0.425 173 N N 0.054 118.692 118.700 -0.103 0.000 2.171 173 N HA -0.058 4.682 4.740 0.000 0.000 0.184 173 N C 1.134 176.637 175.510 -0.011 0.000 1.021 173 N CA 0.886 53.899 53.050 -0.062 0.000 0.854 173 N CB -0.038 38.401 38.487 -0.081 0.000 0.994 173 N HN 0.313 nan 8.380 nan 0.000 0.426 174 I N 0.452 121.033 120.570 0.018 0.000 3.526 174 I HA 0.199 4.369 4.170 0.000 0.000 0.294 174 I C 2.031 178.220 176.117 0.119 0.000 1.229 174 I CA 0.040 61.395 61.300 0.091 0.000 1.408 174 I CB -1.349 36.741 38.000 0.150 0.000 1.127 174 I HN -0.064 nan 8.210 nan 0.000 0.439 175 A N 1.183 124.051 122.820 0.080 0.000 2.070 175 A HA -0.177 4.143 4.320 0.000 0.000 0.220 175 A C 2.287 179.902 177.584 0.052 0.000 1.159 175 A CA 1.478 53.558 52.037 0.072 0.000 0.656 175 A CB -0.316 18.685 19.000 0.001 0.000 0.800 175 A HN 0.343 nan 8.150 nan 0.000 0.453 176 K N -0.600 119.818 120.400 0.029 0.000 2.099 176 K HA 0.202 4.522 4.320 0.000 0.000 0.203 176 K C 2.380 179.000 176.600 0.033 0.000 1.047 176 K CA 0.811 57.108 56.287 0.016 0.000 0.963 176 K CB -0.269 32.227 32.500 -0.007 0.000 0.759 176 K HN 0.339 nan 8.250 nan 0.000 0.451 177 A N 1.577 124.425 122.820 0.046 0.000 1.908 177 A HA -0.174 4.146 4.320 0.000 0.000 0.218 177 A C 1.054 178.674 177.584 0.060 0.000 1.181 177 A CA 1.034 53.099 52.037 0.045 0.000 0.627 177 A CB -0.894 18.136 19.000 0.050 0.000 0.818 177 A HN 0.382 nan 8.150 nan 0.000 0.445 178 H N -0.660 118.413 119.070 0.004 0.000 2.998 178 H HA 0.101 4.657 4.556 0.000 0.000 0.353 178 H C 1.439 176.744 175.328 -0.038 0.000 1.099 178 H CA 0.952 56.998 56.048 -0.003 0.000 1.393 178 H CB 0.649 30.421 29.762 0.017 0.000 1.343 178 H HN 0.145 nan 8.280 nan 0.000 0.609 179 G N 2.093 110.567 108.800 -0.543 0.000 2.838 179 G HA2 0.136 4.096 3.960 0.000 0.000 0.210 179 G HA3 0.136 4.096 3.960 0.000 0.000 0.210 179 G C 0.753 175.496 174.900 -0.261 0.000 1.153 179 G CA 0.506 45.409 45.100 -0.328 0.000 0.778 179 G HN 0.732 nan 8.290 nan 0.000 0.539 180 G N -0.461 108.241 108.800 -0.163 0.000 3.356 180 G HA2 0.557 4.517 3.960 0.000 0.000 0.178 180 G HA3 0.557 4.517 3.960 0.000 0.000 0.178 180 G C -0.714 174.086 174.900 -0.167 0.000 1.130 180 G CA -0.849 44.173 45.100 -0.130 0.000 0.800 180 G HN 0.033 nan 8.290 nan 0.000 0.669 181 F N -0.098 119.901 119.950 0.082 0.000 2.377 181 F HA 0.755 5.282 4.527 0.000 0.000 0.335 181 F C 0.690 176.374 175.800 -0.194 0.000 1.099 181 F CA -0.451 57.459 58.000 -0.151 0.000 1.072 181 F CB 1.851 40.539 39.000 -0.519 0.000 1.417 181 F HN 0.207 nan 8.300 nan 0.000 0.495 182 S N -0.304 115.403 115.700 0.012 0.000 2.537 182 S HA 0.681 5.151 4.470 0.000 0.000 0.270 182 S C -1.667 172.941 174.600 0.014 0.000 1.142 182 S CA -0.700 57.512 58.200 0.020 0.000 0.870 182 S CB 2.201 65.501 63.200 0.167 0.000 1.112 182 S HN 0.288 nan 8.310 nan 0.000 0.466 183 V N 3.077 123.028 119.914 0.062 0.000 2.482 183 V HA 0.515 4.635 4.120 0.000 0.000 0.295 183 V C -1.406 174.802 176.094 0.190 0.000 1.026 183 V CA -0.560 61.784 62.300 0.074 0.000 0.856 183 V CB 1.347 33.168 31.823 -0.003 0.000 1.001 183 V HN 0.825 nan 8.190 nan 0.000 0.424 184 F N 3.938 123.924 119.950 0.060 0.000 2.427 184 F HA 0.698 5.225 4.527 0.000 0.000 0.346 184 F C 0.379 176.084 175.800 -0.158 0.000 1.120 184 F CA -0.095 57.929 58.000 0.041 0.000 1.033 184 F CB 1.692 40.700 39.000 0.013 0.000 1.126 184 F HN 0.458 nan 8.300 nan 0.000 0.462 185 T N 4.706 119.052 114.554 -0.346 0.000 2.779 185 T HA 0.506 4.856 4.350 0.000 0.000 0.280 185 T C 0.144 174.659 174.700 -0.309 0.000 0.987 185 T CA -0.615 61.301 62.100 -0.306 0.000 0.966 185 T CB 1.301 70.030 68.868 -0.231 0.000 0.933 185 T HN 0.863 nan 8.240 nan 0.000 0.442 186 G N 1.888 110.594 108.800 -0.158 0.000 2.356 186 G HA2 0.496 4.456 3.960 0.000 0.000 0.300 186 G HA3 0.496 4.456 3.960 0.000 0.000 0.300 186 G C -0.442 174.553 174.900 0.158 0.000 1.107 186 G CA -0.401 44.870 45.100 0.285 0.000 0.960 186 G HN 0.667 nan 8.290 nan 0.000 0.418 187 V N 2.948 122.922 119.914 0.101 0.000 2.313 187 V HA 0.599 4.719 4.120 0.000 0.000 0.278 187 V C 1.264 177.422 176.094 0.106 0.000 1.017 187 V CA 0.313 62.662 62.300 0.082 0.000 0.823 187 V CB 0.585 32.428 31.823 0.035 0.000 1.010 187 V HN 1.323 nan 8.190 nan 0.000 0.443 188 G N 3.907 112.772 108.800 0.108 0.000 2.196 188 G HA2 -0.283 3.677 3.960 0.000 0.000 0.268 188 G HA3 -0.283 3.677 3.960 0.000 0.000 0.268 188 G C 0.317 175.268 174.900 0.085 0.000 0.975 188 G CA 0.944 46.093 45.100 0.082 0.000 0.648 188 G HN 0.821 nan 8.290 nan 0.000 0.538 189 E N -0.224 120.049 120.200 0.122 0.000 4.517 189 E HA 0.586 4.936 4.350 0.000 0.000 0.408 189 E C 0.616 177.267 176.600 0.085 0.000 1.456 189 E CA -0.862 55.604 56.400 0.110 0.000 2.449 189 E CB 0.437 30.235 29.700 0.163 0.000 1.556 189 E HN 0.390 nan 8.360 nan 0.000 0.781 190 R N 0.046 120.589 120.500 0.073 0.000 2.297 190 R HA 0.192 4.532 4.340 0.000 0.000 0.308 190 R C 0.632 176.933 176.300 0.002 0.000 1.029 190 R CA 0.007 56.127 56.100 0.034 0.000 0.929 190 R CB 0.899 31.216 30.300 0.028 0.000 1.046 190 R HN 0.525 nan 8.270 nan 0.000 0.461 191 T N 1.816 116.354 114.554 -0.027 0.000 2.977 191 T HA -0.157 4.193 4.350 0.000 0.000 0.271 191 T C 1.619 176.239 174.700 -0.132 0.000 1.105 191 T CA 1.357 63.402 62.100 -0.092 0.000 1.116 191 T CB -0.180 68.646 68.868 -0.070 0.000 0.878 191 T HN 0.589 nan 8.240 nan 0.000 0.509 192 R N 1.567 122.021 120.500 -0.077 0.000 2.200 192 R HA 0.186 4.526 4.340 0.000 0.000 0.208 192 R C 1.808 178.065 176.300 -0.071 0.000 1.033 192 R CA 0.885 56.943 56.100 -0.070 0.000 1.000 192 R CB -0.250 30.031 30.300 -0.031 0.000 0.906 192 R HN 0.292 nan 8.270 nan 0.000 0.462 193 E N 0.461 120.630 120.200 -0.051 0.000 2.285 193 E HA -0.006 4.344 4.350 0.000 0.000 0.194 193 E C 1.613 178.151 176.600 -0.103 0.000 0.997 193 E CA 0.909 57.297 56.400 -0.021 0.000 0.845 193 E CB 0.132 29.871 29.700 0.064 0.000 0.782 193 E HN 0.645 nan 8.360 nan 0.000 0.491 194 G N 0.721 109.342 108.800 -0.298 0.000 2.813 194 G HA2 -0.175 3.785 3.960 0.000 0.000 0.209 194 G HA3 -0.175 3.785 3.960 0.000 0.000 0.209 194 G C 1.288 175.858 174.900 -0.549 0.000 1.150 194 G CA 0.301 44.899 45.100 -0.837 0.000 0.785 194 G HN 0.131 nan 8.290 nan 0.000 0.535 195 N N 0.267 118.805 118.700 -0.269 0.000 2.439 195 N HA -0.026 4.714 4.740 0.000 0.000 0.176 195 N C 1.435 176.925 175.510 -0.034 0.000 1.029 195 N CA 0.808 53.785 53.050 -0.122 0.000 0.886 195 N CB 0.107 38.532 38.487 -0.103 0.000 1.057 195 N HN -0.020 nan 8.380 nan 0.000 0.437 196 D N 0.273 120.640 120.400 -0.055 0.000 2.149 196 D HA -0.101 4.539 4.640 0.000 0.000 0.201 196 D C 1.822 178.095 176.300 -0.045 0.000 0.972 196 D CA 0.598 54.575 54.000 -0.037 0.000 0.835 196 D CB -0.070 40.715 40.800 -0.026 0.000 0.966 196 D HN 0.276 nan 8.370 nan 0.000 0.476 197 L N -0.102 121.083 121.223 -0.064 0.000 2.156 197 L HA -0.128 4.212 4.340 0.000 0.000 0.208 197 L C 2.215 179.069 176.870 -0.028 0.000 1.095 197 L CA 1.190 55.970 54.840 -0.100 0.000 0.770 197 L CB -0.459 41.480 42.059 -0.200 0.000 0.914 197 L HN -0.067 nan 8.230 nan 0.000 0.439 198 Y N 0.391 120.622 120.300 -0.115 0.000 2.145 198 Y HA -0.233 4.317 4.550 0.000 0.000 0.286 198 Y C 2.843 178.705 175.900 -0.064 0.000 1.145 198 Y CA 2.093 60.151 58.100 -0.069 0.000 1.148 198 Y CB -0.185 38.227 38.460 -0.080 0.000 0.981 198 Y HN 0.149 nan 8.280 nan 0.000 0.507 199 R N 0.594 121.064 120.500 -0.050 0.000 2.200 199 R HA -0.082 4.258 4.340 0.000 0.000 0.208 199 R C 2.091 178.319 176.300 -0.119 0.000 1.033 199 R CA 1.165 57.193 56.100 -0.121 0.000 1.000 199 R CB -0.139 30.133 30.300 -0.047 0.000 0.906 199 R HN 0.690 nan 8.270 nan 0.000 0.462 200 E N -0.287 119.853 120.200 -0.100 0.000 2.216 200 E HA -0.138 4.212 4.350 0.000 0.000 0.192 200 E C 1.737 178.266 176.600 -0.119 0.000 0.988 200 E CA 0.629 56.968 56.400 -0.101 0.000 0.834 200 E CB -0.153 29.492 29.700 -0.091 0.000 0.772 200 E HN 0.260 nan 8.360 nan 0.000 0.479 201 M N 0.578 120.095 119.600 -0.138 0.000 2.476 201 M HA -0.020 4.460 4.480 0.000 0.000 0.262 201 M C 1.820 178.035 176.300 -0.143 0.000 1.079 201 M CA 1.118 56.335 55.300 -0.139 0.000 1.104 201 M CB 0.115 32.637 32.600 -0.129 0.000 1.409 201 M HN 0.043 nan 8.290 nan 0.000 0.467 202 K N 0.051 120.346 120.400 -0.175 0.000 2.103 202 K HA -0.128 4.192 4.320 0.000 0.000 0.204 202 K C 1.347 177.881 176.600 -0.110 0.000 1.052 202 K CA 1.029 57.218 56.287 -0.162 0.000 0.945 202 K CB 0.097 32.477 32.500 -0.199 0.000 0.722 202 K HN 0.157 nan 8.250 nan 0.000 0.443 203 E N -0.290 119.850 120.200 -0.100 0.000 2.489 203 E HA -0.015 4.335 4.350 0.000 0.000 0.193 203 E C 1.023 177.581 176.600 -0.069 0.000 1.057 203 E CA 0.611 56.964 56.400 -0.077 0.000 0.866 203 E CB 0.356 30.013 29.700 -0.071 0.000 0.916 203 E HN 0.193 nan 8.360 nan 0.000 0.500 204 T N -1.620 112.888 114.554 -0.076 0.000 3.014 204 T HA 0.110 4.460 4.350 0.000 0.000 0.263 204 T C 1.676 176.343 174.700 -0.056 0.000 1.078 204 T CA 0.755 62.814 62.100 -0.068 0.000 1.135 204 T CB 0.173 68.995 68.868 -0.077 0.000 0.895 204 T HN 0.360 nan 8.240 nan 0.000 0.480 205 G N 0.617 109.382 108.800 -0.058 0.000 2.317 205 G HA2 -0.332 3.628 3.960 0.000 0.000 0.227 205 G HA3 -0.332 3.628 3.960 0.000 0.000 0.227 205 G C 1.178 176.053 174.900 -0.041 0.000 1.042 205 G CA 0.186 45.258 45.100 -0.046 0.000 0.623 205 G HN 0.398 nan 8.290 nan 0.000 0.509 206 V N 1.089 120.977 119.914 -0.043 0.000 2.527 206 V HA 0.008 4.128 4.120 0.000 0.000 0.255 206 V C 1.424 177.502 176.094 -0.027 0.000 1.081 206 V CA 2.069 64.350 62.300 -0.032 0.000 1.092 206 V CB -0.318 31.483 31.823 -0.037 0.000 0.673 206 V HN 0.530 nan 8.190 nan 0.000 0.470 207 I N 0.342 120.881 120.570 -0.052 0.000 2.466 207 I HA 0.411 4.581 4.170 0.000 0.000 0.289 207 I C -0.580 175.498 176.117 -0.066 0.000 1.026 207 I CA -0.355 60.911 61.300 -0.055 0.000 1.078 207 I CB 1.832 39.774 38.000 -0.097 0.000 1.249 207 I HN 0.054 nan 8.210 nan 0.000 0.429 208 N N 6.001 124.679 118.700 -0.036 0.000 2.430 208 N HA 0.400 5.140 4.740 0.000 0.000 0.290 208 N C 0.093 175.594 175.510 -0.014 0.000 1.063 208 N CA -0.533 52.497 53.050 -0.033 0.000 0.883 208 N CB 1.963 40.438 38.487 -0.020 0.000 1.465 208 N HN 0.559 nan 8.380 nan 0.000 0.493 209 L N 1.608 122.819 121.223 -0.020 0.000 2.217 209 L HA 0.095 4.435 4.340 0.000 0.000 0.211 209 L C 0.962 177.840 176.870 0.012 0.000 1.107 209 L CA 0.971 55.815 54.840 0.006 0.000 0.783 209 L CB 0.111 42.174 42.059 0.008 0.000 0.919 209 L HN 0.605 nan 8.230 nan 0.000 0.442 210 E N -0.632 119.570 120.200 0.004 0.000 2.476 210 E HA 0.166 4.516 4.350 0.000 0.000 0.196 210 E C 0.733 177.338 176.600 0.009 0.000 1.029 210 E CA 0.051 56.456 56.400 0.007 0.000 0.896 210 E CB 0.889 30.590 29.700 0.002 0.000 1.012 210 E HN 0.434 nan 8.360 nan 0.000 0.475 211 G N 0.441 109.247 108.800 0.010 0.000 3.137 211 G HA2 0.173 4.133 3.960 0.000 0.000 0.196 211 G HA3 0.173 4.133 3.960 0.000 0.000 0.196 211 G C -0.056 174.859 174.900 0.024 0.000 1.135 211 G CA -0.528 44.581 45.100 0.014 0.000 0.803 211 G HN -0.112 nan 8.290 nan 0.000 0.619 212 E N -0.136 120.080 120.200 0.027 0.000 3.056 212 E HA 0.501 4.851 4.350 0.000 0.000 0.275 212 E C -0.604 176.025 176.600 0.048 0.000 1.468 212 E CA 0.276 56.703 56.400 0.044 0.000 1.219 212 E CB 0.458 30.182 29.700 0.040 0.000 1.119 212 E HN 0.219 nan 8.360 nan 0.000 0.710 213 S N -0.742 115.000 115.700 0.070 0.000 2.581 213 S HA 0.111 4.581 4.470 0.000 0.000 0.306 213 S C -0.214 174.452 174.600 0.109 0.000 1.080 213 S CA -0.599 57.645 58.200 0.072 0.000 0.925 213 S CB 0.785 64.032 63.200 0.079 0.000 1.128 213 S HN 0.291 nan 8.310 nan 0.000 0.451 214 K N 1.286 121.731 120.400 0.074 0.000 2.410 214 K HA 0.337 4.657 4.320 0.000 0.000 0.200 214 K C -0.118 176.536 176.600 0.091 0.000 1.023 214 K CA 0.137 56.474 56.287 0.083 0.000 1.149 214 K CB 0.904 33.409 32.500 0.009 0.000 0.859 214 K HN 0.300 nan 8.250 nan 0.000 0.514 215 V N 0.192 120.155 119.914 0.082 0.000 2.969 215 V HA 0.598 4.718 4.120 0.000 0.000 0.304 215 V C -1.786 174.354 176.094 0.077 0.000 1.192 215 V CA -0.832 61.509 62.300 0.067 0.000 0.962 215 V CB 2.006 33.874 31.823 0.075 0.000 1.045 215 V HN 0.149 nan 8.190 nan 0.000 0.428 216 A N 6.493 129.351 122.820 0.062 0.000 2.312 216 A HA 0.922 5.242 4.320 0.000 0.000 0.326 216 A C -1.103 176.530 177.584 0.083 0.000 1.172 216 A CA -0.585 51.502 52.037 0.085 0.000 0.821 216 A CB 0.941 19.997 19.000 0.095 0.000 1.166 216 A HN 0.894 nan 8.150 nan 0.000 0.493 217 L N 2.227 123.501 121.223 0.085 0.000 2.362 217 L HA 0.675 5.015 4.340 0.000 0.000 0.275 217 L C -1.033 175.801 176.870 -0.060 0.000 0.998 217 L CA -0.868 53.987 54.840 0.023 0.000 0.820 217 L CB 2.040 44.211 42.059 0.185 0.000 1.270 217 L HN 0.401 nan 8.230 nan 0.000 0.415 218 V N 2.977 122.722 119.914 -0.282 0.000 2.569 218 V HA 0.496 4.616 4.120 0.000 0.000 0.301 218 V C -1.019 174.825 176.094 -0.417 0.000 1.044 218 V CA -0.439 61.739 62.300 -0.203 0.000 0.874 218 V CB 1.888 33.646 31.823 -0.109 0.000 1.002 218 V HN 0.400 nan 8.190 nan 0.000 0.424 219 F N 1.972 121.957 119.950 0.059 0.000 2.529 219 F HA 0.775 5.302 4.527 0.000 0.000 0.320 219 F C 0.711 176.534 175.800 0.038 0.000 1.118 219 F CA -0.659 57.377 58.000 0.060 0.000 0.915 219 F CB 2.563 41.587 39.000 0.040 0.000 1.161 219 F HN 0.545 nan 8.300 nan 0.000 0.445 220 G N 3.546 112.483 108.800 0.229 0.000 4.566 220 G HA2 0.301 4.261 3.960 0.000 0.000 0.307 220 G HA3 0.301 4.261 3.960 0.000 0.000 0.307 220 G C -0.697 174.285 174.900 0.138 0.000 1.383 220 G CA -0.493 44.692 45.100 0.142 0.000 0.910 220 G HN 0.316 nan 8.290 nan 0.000 0.538 221 Q N 0.841 120.728 119.800 0.146 0.000 2.407 221 Q HA 0.188 4.528 4.340 0.000 0.000 0.214 221 Q C 2.090 178.127 176.000 0.062 0.000 1.043 221 Q CA -0.621 55.250 55.803 0.113 0.000 0.983 221 Q CB 0.844 29.634 28.738 0.086 0.000 1.211 221 Q HN 0.666 nan 8.270 nan 0.000 0.564 222 M N 0.022 119.650 119.600 0.047 0.000 2.346 222 M HA -0.191 4.289 4.480 0.000 0.000 0.263 222 M C 0.889 177.200 176.300 0.017 0.000 1.064 222 M CA 2.006 57.323 55.300 0.028 0.000 1.083 222 M CB -0.679 31.933 32.600 0.020 0.000 1.399 222 M HN 0.441 nan 8.290 nan 0.000 0.435 223 N N 1.109 119.818 118.700 0.015 0.000 2.453 223 N HA -0.065 4.675 4.740 0.000 0.000 0.183 223 N C -0.298 175.218 175.510 0.011 0.000 1.041 223 N CA 0.750 53.805 53.050 0.009 0.000 0.900 223 N CB -0.495 37.993 38.487 0.002 0.000 0.961 223 N HN 0.616 nan 8.380 nan 0.000 0.443 224 E N 1.025 121.235 120.200 0.018 0.000 2.216 224 E HA 0.318 4.668 4.350 0.000 0.000 0.279 224 E C -2.375 174.233 176.600 0.013 0.000 0.997 224 E CA -2.286 54.125 56.400 0.019 0.000 0.817 224 E CB 0.845 30.563 29.700 0.030 0.000 1.096 224 E HN 0.141 nan 8.360 nan 0.000 0.393 225 P HA -0.100 nan 4.420 nan 0.000 0.269 225 P C -1.872 175.426 177.300 -0.003 0.000 1.205 225 P CA -0.769 62.332 63.100 0.002 0.000 0.780 225 P CB -0.071 31.631 31.700 0.004 0.000 0.858 226 P HA -0.285 nan 4.420 nan 0.000 0.219 226 P C 1.478 178.760 177.300 -0.029 0.000 1.158 226 P CA 2.421 65.501 63.100 -0.034 0.000 0.895 226 P CB -0.692 30.984 31.700 -0.039 0.000 0.792 227 G N 0.452 109.244 108.800 -0.013 0.000 2.587 227 G HA2 -0.282 3.678 3.960 0.000 0.000 0.217 227 G HA3 -0.282 3.678 3.960 0.000 0.000 0.217 227 G C 1.845 176.756 174.900 0.018 0.000 1.240 227 G CA 1.773 46.875 45.100 0.002 0.000 0.794 227 G HN 0.398 nan 8.290 nan 0.000 0.580 228 A N 0.155 122.988 122.820 0.022 0.000 1.940 228 A HA -0.047 4.273 4.320 0.000 0.000 0.219 228 A C 2.391 179.997 177.584 0.038 0.000 1.176 228 A CA 1.924 53.981 52.037 0.032 0.000 0.631 228 A CB -0.420 18.598 19.000 0.030 0.000 0.814 228 A HN 0.367 nan 8.150 nan 0.000 0.446 229 R N -0.882 119.634 120.500 0.027 0.000 2.189 229 R HA 0.032 4.372 4.340 0.000 0.000 0.218 229 R C 2.246 178.569 176.300 0.039 0.000 1.074 229 R CA 0.916 57.035 56.100 0.032 0.000 0.991 229 R CB -0.250 30.057 30.300 0.012 0.000 0.883 229 R HN 0.514 nan 8.270 nan 0.000 0.457 230 A N 0.561 123.390 122.820 0.015 0.000 1.897 230 A HA -0.072 4.248 4.320 0.000 0.000 0.215 230 A C 1.770 179.461 177.584 0.179 0.000 1.181 230 A CA 0.937 52.979 52.037 0.009 0.000 0.620 230 A CB -0.026 18.929 19.000 -0.075 0.000 0.821 230 A HN 0.121 nan 8.150 nan 0.000 0.443 231 R N -0.933 119.646 120.500 0.130 0.000 2.290 231 R HA 0.125 4.465 4.340 0.000 0.000 0.197 231 R C 1.714 178.057 176.300 0.072 0.000 0.913 231 R CA 0.766 56.948 56.100 0.136 0.000 1.040 231 R CB -0.982 29.388 30.300 0.118 0.000 0.992 231 R HN 0.383 nan 8.270 nan 0.000 0.500 232 V N 1.534 121.487 119.914 0.065 0.000 2.720 232 V HA -0.167 3.953 4.120 0.000 0.000 0.256 232 V C 2.096 178.189 176.094 -0.000 0.000 1.082 232 V CA 1.807 64.124 62.300 0.029 0.000 1.101 232 V CB -0.320 31.529 31.823 0.043 0.000 0.693 232 V HN 0.290 nan 8.190 nan 0.000 0.479 233 A N -0.062 122.770 122.820 0.019 0.000 1.858 233 A HA -0.135 4.185 4.320 0.000 0.000 0.216 233 A C 2.103 179.633 177.584 -0.089 0.000 1.190 233 A CA 2.032 54.035 52.037 -0.055 0.000 0.617 233 A CB -0.603 18.344 19.000 -0.087 0.000 0.827 233 A HN 0.551 nan 8.150 nan 0.000 0.443 234 L N -0.510 120.676 121.223 -0.062 0.000 2.079 234 L HA -0.182 4.158 4.340 0.000 0.000 0.210 234 L C 2.767 179.580 176.870 -0.095 0.000 1.081 234 L CA 1.647 56.434 54.840 -0.088 0.000 0.752 234 L CB -1.023 40.989 42.059 -0.079 0.000 0.896 234 L HN 0.373 nan 8.230 nan 0.000 0.433 235 T N -0.201 114.309 114.554 -0.073 0.000 2.545 235 T HA -0.174 4.176 4.350 0.000 0.000 0.261 235 T C 1.761 176.427 174.700 -0.056 0.000 1.097 235 T CA 1.616 63.677 62.100 -0.065 0.000 1.189 235 T CB -0.812 68.032 68.868 -0.040 0.000 0.863 235 T HN 0.528 nan 8.240 nan 0.000 0.405 236 G N 0.933 109.700 108.800 -0.055 0.000 2.535 236 G HA2 -0.064 3.896 3.960 0.000 0.000 0.218 236 G HA3 -0.064 3.896 3.960 0.000 0.000 0.218 236 G C 1.501 176.376 174.900 -0.042 0.000 1.122 236 G CA 0.607 45.678 45.100 -0.047 0.000 0.769 236 G HN 0.403 nan 8.290 nan 0.000 0.549 237 L N 0.556 121.741 121.223 -0.063 0.000 2.131 237 L HA 0.110 4.450 4.340 0.000 0.000 0.206 237 L C 2.623 179.474 176.870 -0.033 0.000 1.087 237 L CA 2.327 57.128 54.840 -0.064 0.000 0.767 237 L CB -1.032 40.967 42.059 -0.100 0.000 0.917 237 L HN 0.071 nan 8.230 nan 0.000 0.441 238 T N 0.433 114.964 114.554 -0.039 0.000 2.803 238 T HA -0.150 4.200 4.350 0.000 0.000 0.269 238 T C 1.944 176.652 174.700 0.013 0.000 1.052 238 T CA 2.108 64.194 62.100 -0.023 0.000 1.136 238 T CB -0.417 68.423 68.868 -0.046 0.000 0.864 238 T HN 0.387 nan 8.240 nan 0.000 0.467 239 I N 1.121 121.705 120.570 0.023 0.000 2.493 239 I HA -0.076 4.094 4.170 0.000 0.000 0.254 239 I C 2.739 178.990 176.117 0.223 0.000 1.160 239 I CA 0.705 62.052 61.300 0.078 0.000 1.445 239 I CB -0.364 37.688 38.000 0.088 0.000 1.086 239 I HN 0.181 nan 8.210 nan 0.000 0.433 240 A N 0.346 123.252 122.820 0.145 0.000 2.067 240 A HA -0.112 4.208 4.320 0.000 0.000 0.217 240 A C 2.159 179.829 177.584 0.144 0.000 1.156 240 A CA 1.028 53.157 52.037 0.154 0.000 0.683 240 A CB -0.297 18.719 19.000 0.027 0.000 0.808 240 A HN 0.404 nan 8.150 nan 0.000 0.455 241 E N -1.666 118.587 120.200 0.088 0.000 2.076 241 E HA -0.123 4.227 4.350 0.000 0.000 0.190 241 E C 1.743 178.369 176.600 0.043 0.000 0.979 241 E CA 0.977 57.405 56.400 0.047 0.000 0.807 241 E CB -0.279 29.427 29.700 0.010 0.000 0.761 241 E HN 0.771 nan 8.360 nan 0.000 0.454 242 Y N 0.600 120.842 120.300 -0.096 0.000 2.097 242 Y HA -0.306 4.244 4.550 0.000 0.000 0.282 242 Y C 1.901 177.675 175.900 -0.210 0.000 1.152 242 Y CA 1.672 59.650 58.100 -0.204 0.000 1.136 242 Y CB -0.211 38.038 38.460 -0.351 0.000 0.975 242 Y HN -0.044 nan 8.280 nan 0.000 0.498 243 F N 0.224 120.261 119.950 0.144 0.000 2.202 243 F HA -0.207 4.320 4.527 0.000 0.000 0.301 243 F C 2.680 178.494 175.800 0.023 0.000 1.082 243 F CA 1.920 59.938 58.000 0.029 0.000 1.313 243 F CB -0.579 38.382 39.000 -0.065 0.000 1.024 243 F HN 0.031 nan 8.300 nan 0.000 0.495 244 R N 0.255 120.854 120.500 0.166 0.000 2.057 244 R HA -0.108 4.232 4.340 0.000 0.000 0.229 244 R C 1.634 177.937 176.300 0.004 0.000 1.136 244 R CA 1.897 58.047 56.100 0.083 0.000 0.952 244 R CB -0.224 30.105 30.300 0.048 0.000 0.848 244 R HN 0.151 nan 8.270 nan 0.000 0.430 245 D N 0.093 120.448 120.400 -0.075 0.000 2.278 245 D HA -0.072 4.568 4.640 0.000 0.000 0.228 245 D C 1.925 178.088 176.300 -0.227 0.000 1.020 245 D CA 0.764 54.684 54.000 -0.133 0.000 0.922 245 D CB -0.356 40.358 40.800 -0.144 0.000 1.051 245 D HN 0.203 nan 8.370 nan 0.000 0.452 246 E N 0.886 120.807 120.200 -0.464 0.000 2.110 246 E HA -0.185 4.165 4.350 0.000 0.000 0.193 246 E C 1.932 178.247 176.600 -0.474 0.000 0.988 246 E CA 0.795 56.795 56.400 -0.666 0.000 0.804 246 E CB -0.041 28.759 29.700 -1.499 0.000 0.745 246 E HN 0.257 nan 8.360 nan 0.000 0.458 247 E N 0.369 120.347 120.200 -0.370 0.000 2.107 247 E HA -0.036 4.314 4.350 0.000 0.000 0.191 247 E C 0.651 177.270 176.600 0.031 0.000 0.982 247 E CA 0.914 57.291 56.400 -0.038 0.000 0.809 247 E CB -0.156 29.616 29.700 0.119 0.000 0.756 247 E HN 0.313 nan 8.360 nan 0.000 0.459 248 G N 1.117 109.919 108.800 0.002 0.000 2.370 248 G HA2 -0.318 3.642 3.960 0.000 0.000 0.295 248 G HA3 -0.318 3.642 3.960 0.000 0.000 0.295 248 G C -0.215 174.743 174.900 0.097 0.000 1.045 248 G CA 0.921 46.039 45.100 0.031 0.000 1.199 248 G HN 0.366 nan 8.290 nan 0.000 0.513 249 Q N -1.081 118.812 119.800 0.154 0.000 2.685 249 Q HA 0.414 4.754 4.340 0.000 0.000 0.301 249 Q C -1.256 174.881 176.000 0.227 0.000 0.924 249 Q CA -0.964 54.966 55.803 0.212 0.000 0.755 249 Q CB 1.432 30.387 28.738 0.361 0.000 1.470 249 Q HN 0.234 nan 8.270 nan 0.000 0.434 250 D N 0.715 121.245 120.400 0.217 0.000 2.358 250 D HA 0.286 4.926 4.640 0.000 0.000 0.258 250 D C -0.861 175.672 176.300 0.389 0.000 1.223 250 D CA 0.273 54.426 54.000 0.255 0.000 0.886 250 D CB 0.805 41.679 40.800 0.124 0.000 1.120 250 D HN 0.168 nan 8.370 nan 0.000 0.482 251 V N 3.179 123.231 119.914 0.229 0.000 3.093 251 V HA 0.557 4.677 4.120 0.000 0.000 0.320 251 V C 0.059 176.069 176.094 -0.140 0.000 1.093 251 V CA -0.981 61.370 62.300 0.084 0.000 1.016 251 V CB 1.707 33.574 31.823 0.073 0.000 1.096 251 V HN 0.373 nan 8.190 nan 0.000 0.452 252 L N 2.242 123.318 121.223 -0.245 0.000 2.482 252 L HA 0.477 4.817 4.340 0.000 0.000 0.269 252 L C -1.531 175.092 176.870 -0.411 0.000 0.967 252 L CA -0.355 54.235 54.840 -0.416 0.000 0.851 252 L CB 1.871 43.639 42.059 -0.485 0.000 1.242 252 L HN 0.496 nan 8.230 nan 0.000 0.404 253 L N 4.210 125.138 121.223 -0.492 0.000 2.276 253 L HA 0.550 4.890 4.340 0.000 0.000 0.286 253 L C -1.242 175.298 176.870 -0.551 0.000 1.024 253 L CA 0.214 54.824 54.840 -0.384 0.000 0.826 253 L CB 0.697 42.610 42.059 -0.244 0.000 1.211 253 L HN 0.209 nan 8.230 nan 0.000 0.422 254 F N 6.225 126.045 119.950 -0.217 0.000 2.388 254 F HA 0.529 5.056 4.527 0.000 0.000 0.358 254 F C 0.097 175.501 175.800 -0.660 0.000 1.122 254 F CA -0.384 57.404 58.000 -0.353 0.000 1.056 254 F CB 0.883 39.748 39.000 -0.225 0.000 1.155 254 F HN 0.235 nan 8.300 nan 0.000 0.461 255 I N 3.096 123.449 120.570 -0.361 0.000 2.474 255 I HA 0.394 4.564 4.170 0.000 0.000 0.294 255 I C -1.075 174.857 176.117 -0.308 0.000 1.005 255 I CA -0.572 60.494 61.300 -0.390 0.000 1.113 255 I CB 2.019 39.867 38.000 -0.252 0.000 1.289 255 I HN 0.406 nan 8.210 nan 0.000 0.436 256 D N 5.764 126.003 120.400 -0.268 0.000 2.470 256 D HA 0.219 4.859 4.640 0.000 0.000 0.233 256 D C -1.682 174.653 176.300 0.058 0.000 1.372 256 D CA -0.362 53.617 54.000 -0.035 0.000 0.994 256 D CB 1.190 42.054 40.800 0.106 0.000 1.377 256 D HN 0.429 nan 8.370 nan 0.000 0.586 257 N N 4.005 122.748 118.700 0.072 0.000 2.258 257 N HA 0.247 4.987 4.740 0.000 0.000 0.299 257 N C 0.470 176.024 175.510 0.074 0.000 1.047 257 N CA -0.503 52.590 53.050 0.072 0.000 0.814 257 N CB 1.875 40.446 38.487 0.139 0.000 1.413 257 N HN 0.366 nan 8.380 nan 0.000 0.478 258 I N 3.189 123.775 120.570 0.027 0.000 2.830 258 I HA -0.053 4.117 4.170 0.000 0.000 0.263 258 I C 1.693 177.893 176.117 0.138 0.000 1.230 258 I CA 0.534 61.846 61.300 0.020 0.000 1.480 258 I CB -0.356 37.584 38.000 -0.100 0.000 1.095 258 I HN 0.588 nan 8.210 nan 0.000 0.455 259 F N 1.404 121.389 119.950 0.057 0.000 2.126 259 F HA -0.247 4.280 4.527 0.000 0.000 0.299 259 F C 2.389 178.278 175.800 0.149 0.000 1.096 259 F CA 1.582 59.657 58.000 0.125 0.000 1.255 259 F CB -0.344 38.776 39.000 0.201 0.000 0.997 259 F HN -0.028 nan 8.300 nan 0.000 0.479 260 R N 0.069 120.581 120.500 0.020 0.000 2.105 260 R HA -0.229 4.111 4.340 0.000 0.000 0.239 260 R C 2.238 178.475 176.300 -0.105 0.000 1.135 260 R CA 1.637 57.686 56.100 -0.085 0.000 0.967 260 R CB -1.895 28.433 30.300 0.047 0.000 0.861 260 R HN 0.493 nan 8.270 nan 0.000 0.442 261 F N 2.112 121.981 119.950 -0.136 0.000 2.063 261 F HA -0.280 4.247 4.527 0.000 0.000 0.298 261 F C 2.000 177.710 175.800 -0.150 0.000 1.109 261 F CA 2.270 60.202 58.000 -0.115 0.000 1.212 261 F CB -0.677 38.267 39.000 -0.094 0.000 0.973 261 F HN -0.059 nan 8.300 nan 0.000 0.480 262 T N 0.063 114.444 114.554 -0.288 0.000 2.821 262 T HA -0.243 4.107 4.350 0.000 0.000 0.267 262 T C 1.871 176.342 174.700 -0.382 0.000 1.046 262 T CA 1.451 63.315 62.100 -0.394 0.000 1.139 262 T CB -0.458 68.320 68.868 -0.150 0.000 0.871 262 T HN 0.472 nan 8.240 nan 0.000 0.454 263 Q N 0.616 120.101 119.800 -0.524 0.000 2.135 263 Q HA -0.133 4.207 4.340 0.000 0.000 0.204 263 Q C 2.513 178.375 176.000 -0.230 0.000 0.981 263 Q CA 1.485 57.053 55.803 -0.390 0.000 0.856 263 Q CB -0.292 28.178 28.738 -0.446 0.000 0.902 263 Q HN 0.581 nan 8.270 nan 0.000 0.425 264 A N 0.248 122.914 122.820 -0.257 0.000 1.877 264 A HA -0.126 4.194 4.320 0.000 0.000 0.216 264 A C 2.251 179.716 177.584 -0.199 0.000 1.186 264 A CA 1.637 53.555 52.037 -0.198 0.000 0.620 264 A CB -1.315 17.571 19.000 -0.189 0.000 0.822 264 A HN 0.591 nan 8.150 nan 0.000 0.443 265 G N -0.881 107.744 108.800 -0.291 0.000 2.440 265 G HA2 -0.234 3.726 3.960 0.000 0.000 0.218 265 G HA3 -0.234 3.726 3.960 0.000 0.000 0.218 265 G C 1.921 176.756 174.900 -0.109 0.000 1.154 265 G CA 1.552 46.521 45.100 -0.219 0.000 0.767 265 G HN 0.563 nan 8.290 nan 0.000 0.552 266 S N 0.313 115.966 115.700 -0.078 0.000 2.359 266 S HA -0.149 4.322 4.470 0.000 0.000 0.224 266 S C 2.241 176.807 174.600 -0.057 0.000 1.035 266 S CA 1.857 60.037 58.200 -0.033 0.000 1.018 266 S CB -0.372 62.804 63.200 -0.040 0.000 0.876 266 S HN 0.576 nan 8.310 nan 0.000 0.448 267 E N 0.010 120.168 120.200 -0.071 0.000 2.160 267 E HA -0.129 4.221 4.350 0.000 0.000 0.195 267 E C 1.999 178.574 176.600 -0.043 0.000 0.991 267 E CA 1.733 58.100 56.400 -0.056 0.000 0.810 267 E CB -0.146 29.520 29.700 -0.056 0.000 0.742 267 E HN 0.710 nan 8.360 nan 0.000 0.466 268 V N -3.216 116.671 119.914 -0.046 0.000 3.621 268 V HA 0.115 4.235 4.120 0.000 0.000 0.263 268 V C 2.129 178.207 176.094 -0.026 0.000 1.272 268 V CA 0.561 62.841 62.300 -0.033 0.000 1.080 268 V CB 0.606 32.408 31.823 -0.035 0.000 0.816 268 V HN 0.026 nan 8.190 nan 0.000 0.451 269 S N 1.662 117.345 115.700 -0.028 0.000 2.378 269 S HA -0.311 4.159 4.470 0.000 0.000 0.229 269 S C 2.259 176.853 174.600 -0.010 0.000 1.052 269 S CA 2.637 60.827 58.200 -0.016 0.000 1.084 269 S CB -0.653 62.542 63.200 -0.007 0.000 0.950 269 S HN 1.060 nan 8.310 nan 0.000 0.440 270 A N 1.300 124.112 122.820 -0.012 0.000 1.915 270 A HA -0.133 4.187 4.320 0.000 0.000 0.220 270 A C 2.028 179.608 177.584 -0.006 0.000 1.198 270 A CA 2.005 54.037 52.037 -0.009 0.000 0.647 270 A CB -0.890 18.102 19.000 -0.013 0.000 0.825 270 A HN 0.637 nan 8.150 nan 0.000 0.456 271 L N -0.946 120.272 121.223 -0.008 0.000 2.591 271 L HA 0.160 4.500 4.340 0.000 0.000 0.228 271 L C 1.268 178.137 176.870 -0.002 0.000 1.133 271 L CA -0.083 54.754 54.840 -0.004 0.000 0.880 271 L CB -0.281 41.775 42.059 -0.005 0.000 1.033 271 L HN 0.284 nan 8.230 nan 0.000 0.450 272 L N 0.695 121.916 121.223 -0.004 0.000 2.612 272 L HA 0.217 4.557 4.340 0.000 0.000 0.230 272 L C 1.001 177.872 176.870 0.001 0.000 1.140 272 L CA 0.034 54.873 54.840 -0.002 0.000 0.896 272 L CB -0.447 41.609 42.059 -0.006 0.000 1.065 272 L HN 0.418 nan 8.230 nan 0.000 0.447 273 G N 1.622 110.423 108.800 0.002 0.000 2.370 273 G HA2 -0.256 3.704 3.960 0.000 0.000 0.295 273 G HA3 -0.256 3.704 3.960 0.000 0.000 0.295 273 G C -0.112 174.791 174.900 0.004 0.000 1.045 273 G CA -0.201 44.901 45.100 0.003 0.000 1.199 273 G HN 0.355 nan 8.290 nan 0.000 0.513 274 R N 0.261 120.763 120.500 0.003 0.000 2.502 274 R HA 0.330 4.670 4.340 0.000 0.000 0.300 274 R C 0.640 176.945 176.300 0.008 0.000 0.984 274 R CA -1.060 55.044 56.100 0.006 0.000 0.882 274 R CB 1.411 31.714 30.300 0.006 0.000 1.180 274 R HN 0.357 nan 8.270 nan 0.000 0.444 275 I N 5.522 126.099 120.570 0.011 0.000 2.680 275 I HA 0.023 4.193 4.170 0.000 0.000 0.286 275 I C -1.697 174.432 176.117 0.020 0.000 1.144 275 I CA -1.226 60.082 61.300 0.013 0.000 1.370 275 I CB -0.058 37.950 38.000 0.013 0.000 1.420 275 I HN 0.156 nan 8.210 nan 0.000 0.540 276 P HA 0.125 nan 4.420 nan 0.000 0.272 276 P C -0.192 177.135 177.300 0.045 0.000 1.230 276 P CA -0.268 62.851 63.100 0.030 0.000 0.788 276 P CB 0.852 32.563 31.700 0.018 0.000 0.949 277 S N 0.410 116.153 115.700 0.071 0.000 2.719 277 S HA 0.653 5.123 4.470 0.000 0.000 0.285 277 S C -0.248 174.414 174.600 0.102 0.000 1.137 277 S CA -0.535 57.716 58.200 0.086 0.000 1.012 277 S CB 0.113 63.375 63.200 0.103 0.000 1.134 277 S HN 0.562 nan 8.310 nan 0.000 0.544 278 A N 0.641 123.525 122.820 0.106 0.000 2.587 278 A HA 0.317 4.637 4.320 0.000 0.000 0.235 278 A C 0.905 178.594 177.584 0.176 0.000 1.044 278 A CA 0.482 52.587 52.037 0.114 0.000 0.754 278 A CB -0.913 18.147 19.000 0.101 0.000 0.968 278 A HN 1.679 nan 8.150 nan 0.000 0.509 279 V N 1.516 121.503 119.914 0.122 0.000 5.117 279 V HA -0.265 3.855 4.120 0.000 0.000 0.285 279 V C 1.501 177.579 176.094 -0.028 0.000 0.490 279 V CA 1.529 63.887 62.300 0.097 0.000 0.728 279 V CB -2.488 29.461 31.823 0.209 0.000 0.597 279 V HN 2.836 nan 8.190 nan 0.000 1.265 280 G N -1.075 107.715 108.800 -0.017 0.000 2.393 280 G HA2 -0.308 3.652 3.960 0.000 0.000 0.299 280 G HA3 -0.308 3.652 3.960 0.000 0.000 0.299 280 G C -0.419 174.386 174.900 -0.158 0.000 0.990 280 G CA 0.860 45.915 45.100 -0.075 0.000 1.118 280 G HN 0.935 nan 8.290 nan 0.000 0.513 281 Y N -0.949 119.369 120.300 0.029 0.000 2.528 281 Y HA 0.528 5.078 4.550 0.000 0.000 0.335 281 Y C 0.870 176.773 175.900 0.005 0.000 1.093 281 Y CA -1.036 57.076 58.100 0.020 0.000 1.134 281 Y CB 1.253 39.736 38.460 0.038 0.000 1.253 281 Y HN 0.452 nan 8.280 nan 0.000 0.478 282 Q N 2.765 122.685 119.800 0.200 0.000 2.349 282 Q HA 0.096 4.436 4.340 0.000 0.000 0.287 282 Q C -2.101 173.951 176.000 0.088 0.000 1.044 282 Q CA -1.086 54.773 55.803 0.094 0.000 0.918 282 Q CB 0.015 28.781 28.738 0.046 0.000 1.242 282 Q HN 0.322 nan 8.270 nan 0.000 0.405 283 P HA -0.151 nan 4.420 nan 0.000 0.218 283 P C 0.639 177.960 177.300 0.035 0.000 1.149 283 P CA 1.344 64.472 63.100 0.046 0.000 0.817 283 P CB 0.022 31.741 31.700 0.033 0.000 0.785 284 T N -2.505 112.066 114.554 0.027 0.000 3.155 284 T HA -0.066 4.284 4.350 0.000 0.000 0.264 284 T C 1.624 176.340 174.700 0.027 0.000 1.160 284 T CA 0.176 62.290 62.100 0.023 0.000 1.075 284 T CB -1.230 67.646 68.868 0.014 0.000 0.921 284 T HN 0.007 nan 8.240 nan 0.000 0.533 285 L N 1.154 122.388 121.223 0.020 0.000 2.030 285 L HA -0.276 4.064 4.340 0.000 0.000 0.222 285 L C 2.748 179.635 176.870 0.027 0.000 1.082 285 L CA 2.297 57.136 54.840 -0.002 0.000 0.785 285 L CB -0.762 41.261 42.059 -0.061 0.000 0.895 285 L HN 0.368 nan 8.230 nan 0.000 0.439 286 A N -1.226 121.616 122.820 0.037 0.000 1.897 286 A HA -0.162 4.158 4.320 0.000 0.000 0.215 286 A C 2.365 180.000 177.584 0.085 0.000 1.181 286 A CA 1.914 53.990 52.037 0.066 0.000 0.620 286 A CB -1.161 17.878 19.000 0.065 0.000 0.821 286 A HN 0.662 nan 8.150 nan 0.000 0.443 287 T N -2.039 112.556 114.554 0.068 0.000 2.812 287 T HA -0.138 4.212 4.350 0.000 0.000 0.264 287 T C 1.355 176.104 174.700 0.081 0.000 1.042 287 T CA 1.581 63.721 62.100 0.067 0.000 1.140 287 T CB -0.530 68.366 68.868 0.047 0.000 0.870 287 T HN 0.301 nan 8.240 nan 0.000 0.445 288 D N 0.876 121.334 120.400 0.096 0.000 2.104 288 D HA -0.060 4.580 4.640 0.000 0.000 0.194 288 D C 2.014 178.456 176.300 0.236 0.000 0.994 288 D CA 1.154 55.256 54.000 0.170 0.000 0.830 288 D CB -0.451 40.431 40.800 0.137 0.000 0.959 288 D HN 0.389 nan 8.370 nan 0.000 0.452 289 M N 0.198 119.903 119.600 0.174 0.000 2.086 289 M HA -0.083 4.397 4.480 0.000 0.000 0.261 289 M C 2.083 178.313 176.300 -0.116 0.000 1.067 289 M CA 1.981 57.304 55.300 0.040 0.000 1.116 289 M CB -0.244 32.349 32.600 -0.011 0.000 1.348 289 M HN 0.071 nan 8.290 nan 0.000 0.407 290 G N 0.349 109.157 108.800 0.015 0.000 2.422 290 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 290 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 290 G C 1.421 176.347 174.900 0.044 0.000 1.146 290 G CA 0.646 45.810 45.100 0.107 0.000 0.769 290 G HN 0.437 nan 8.290 nan 0.000 0.547 291 L N -0.250 120.991 121.223 0.030 0.000 2.042 291 L HA -0.066 4.274 4.340 0.000 0.000 0.210 291 L C 2.725 179.576 176.870 -0.031 0.000 1.076 291 L CA 1.107 55.959 54.840 0.022 0.000 0.749 291 L CB -0.384 41.707 42.059 0.054 0.000 0.893 291 L HN 0.353 nan 8.230 nan 0.000 0.432 292 L N -1.282 119.869 121.223 -0.119 0.000 2.068 292 L HA -0.115 4.225 4.340 0.000 0.000 0.204 292 L C 2.617 179.360 176.870 -0.211 0.000 1.076 292 L CA 1.436 56.133 54.840 -0.239 0.000 0.753 292 L CB -0.581 41.136 42.059 -0.570 0.000 0.910 292 L HN 0.090 nan 8.230 nan 0.000 0.439 293 Q N 0.374 120.041 119.800 -0.223 0.000 2.061 293 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 293 Q C 2.167 178.148 176.000 -0.032 0.000 0.984 293 Q CA 1.722 57.422 55.803 -0.172 0.000 0.846 293 Q CB -0.424 28.127 28.738 -0.312 0.000 0.902 293 Q HN 0.627 nan 8.270 nan 0.000 0.421 294 E N 0.334 120.548 120.200 0.024 0.000 2.472 294 E HA -0.121 4.229 4.350 0.000 0.000 0.200 294 E C 1.773 178.377 176.600 0.006 0.000 1.046 294 E CA 0.420 56.847 56.400 0.046 0.000 0.871 294 E CB 0.057 29.795 29.700 0.064 0.000 0.806 294 E HN 0.324 nan 8.360 nan 0.000 0.533 295 R N -0.057 120.428 120.500 -0.025 0.000 2.173 295 R HA 0.165 4.505 4.340 0.000 0.000 0.208 295 R C 1.131 177.403 176.300 -0.047 0.000 1.035 295 R CA 0.189 56.268 56.100 -0.034 0.000 1.004 295 R CB 0.147 30.420 30.300 -0.045 0.000 0.917 295 R HN 0.041 nan 8.270 nan 0.000 0.462 296 I N 2.076 122.607 120.570 -0.066 0.000 2.382 296 I HA 0.025 4.195 4.170 0.000 0.000 0.297 296 I C 0.047 176.129 176.117 -0.059 0.000 1.172 296 I CA 0.299 61.551 61.300 -0.080 0.000 1.825 296 I CB 0.031 37.960 38.000 -0.118 0.000 1.509 296 I HN -0.033 nan 8.210 nan 0.000 0.842 297 T N 1.982 116.509 114.554 -0.045 0.000 2.885 297 T HA 0.257 4.607 4.350 0.000 0.000 0.322 297 T C -0.290 174.393 174.700 -0.029 0.000 1.387 297 T CA -0.432 61.649 62.100 -0.033 0.000 1.041 297 T CB 1.584 70.442 68.868 -0.017 0.000 1.287 297 T HN 0.171 nan 8.240 nan 0.000 0.491 298 T N 3.801 118.339 114.554 -0.026 0.000 2.870 298 T HA 0.518 4.868 4.350 0.000 0.000 0.300 298 T C 0.575 175.260 174.700 -0.025 0.000 0.989 298 T CA 0.037 62.125 62.100 -0.020 0.000 1.139 298 T CB 0.386 69.244 68.868 -0.016 0.000 0.920 298 T HN 0.864 nan 8.240 nan 0.000 0.537 299 T N 0.636 115.175 114.554 -0.025 0.000 2.905 299 T HA 0.472 4.822 4.350 0.000 0.000 0.283 299 T C 1.108 175.788 174.700 -0.034 0.000 1.031 299 T CA -1.063 61.016 62.100 -0.035 0.000 1.002 299 T CB 1.427 70.274 68.868 -0.035 0.000 1.200 299 T HN 0.381 nan 8.240 nan 0.000 0.560 300 K N -0.045 120.329 120.400 -0.043 0.000 2.283 300 K HA 0.031 4.351 4.320 0.000 0.000 0.202 300 K C 1.955 178.537 176.600 -0.030 0.000 1.048 300 K CA 0.719 56.983 56.287 -0.039 0.000 0.948 300 K CB -0.064 32.407 32.500 -0.049 0.000 0.742 300 K HN 0.501 nan 8.250 nan 0.000 0.458 301 K N 0.208 120.589 120.400 -0.031 0.000 2.439 301 K HA -0.022 4.298 4.320 0.000 0.000 0.197 301 K C 0.549 177.139 176.600 -0.016 0.000 1.041 301 K CA 0.409 56.678 56.287 -0.030 0.000 0.970 301 K CB 0.367 32.843 32.500 -0.041 0.000 0.773 301 K HN 0.236 nan 8.250 nan 0.000 0.479 302 G N -0.236 108.560 108.800 -0.007 0.000 2.352 302 G HA2 -0.044 3.916 3.960 0.000 0.000 0.305 302 G HA3 -0.044 3.916 3.960 0.000 0.000 0.305 302 G C -1.503 173.409 174.900 0.020 0.000 1.537 302 G CA -0.871 44.237 45.100 0.014 0.000 0.959 302 G HN -0.079 nan 8.290 nan 0.000 0.668 303 S N -1.302 114.420 115.700 0.037 0.000 2.565 303 S HA 0.671 5.141 4.470 0.000 0.000 0.274 303 S C -0.094 174.534 174.600 0.047 0.000 1.309 303 S CA -0.363 57.860 58.200 0.038 0.000 1.043 303 S CB 1.039 64.268 63.200 0.048 0.000 0.939 303 S HN 1.314 nan 8.310 nan 0.000 0.504 304 V N 4.873 124.796 119.914 0.015 0.000 2.488 304 V HA 0.329 4.449 4.120 0.000 0.000 0.293 304 V C -0.370 175.689 176.094 -0.058 0.000 1.027 304 V CA -0.777 61.512 62.300 -0.018 0.000 0.862 304 V CB 1.890 33.692 31.823 -0.034 0.000 1.008 304 V HN 0.955 nan 8.190 nan 0.000 0.428 305 T N 3.471 117.971 114.554 -0.091 0.000 2.728 305 T HA 0.415 4.765 4.350 0.000 0.000 0.296 305 T C 0.182 174.713 174.700 -0.281 0.000 0.940 305 T CA -0.319 61.694 62.100 -0.143 0.000 1.013 305 T CB 0.823 69.634 68.868 -0.096 0.000 0.912 305 T HN 0.790 nan 8.240 nan 0.000 0.484 306 S N 2.180 117.719 115.700 -0.268 0.000 2.718 306 S HA 0.513 4.984 4.470 0.000 0.000 0.294 306 S C -0.450 173.955 174.600 -0.326 0.000 1.157 306 S CA -0.837 57.170 58.200 -0.322 0.000 1.121 306 S CB 0.610 63.673 63.200 -0.228 0.000 1.015 306 S HN 0.385 nan 8.310 nan 0.000 0.479 307 V N 4.379 124.056 119.914 -0.394 0.000 2.348 307 V HA 0.387 4.507 4.120 0.000 0.000 0.270 307 V C -0.157 175.831 176.094 -0.175 0.000 1.037 307 V CA -0.425 61.722 62.300 -0.255 0.000 0.872 307 V CB 0.602 32.364 31.823 -0.102 0.000 1.002 307 V HN 0.910 nan 8.190 nan 0.000 0.464 308 Q N 3.333 123.023 119.800 -0.183 0.000 2.316 308 Q HA 0.766 5.106 4.340 0.000 0.000 0.264 308 Q C -0.190 175.706 176.000 -0.173 0.000 0.987 308 Q CA -0.591 55.104 55.803 -0.181 0.000 0.852 308 Q CB 2.298 30.908 28.738 -0.212 0.000 1.287 308 Q HN 0.824 nan 8.270 nan 0.000 0.448 309 A N 2.180 124.930 122.820 -0.117 0.000 2.363 309 A HA 0.504 4.824 4.320 0.000 0.000 0.270 309 A C -0.385 177.103 177.584 -0.160 0.000 1.121 309 A CA -0.443 51.536 52.037 -0.096 0.000 0.800 309 A CB 0.511 19.523 19.000 0.020 0.000 1.052 309 A HN 0.518 nan 8.150 nan 0.000 0.493 310 V N 3.897 123.638 119.914 -0.289 0.000 2.357 310 V HA 0.160 4.280 4.120 0.000 0.000 0.281 310 V C -0.610 175.385 176.094 -0.164 0.000 1.015 310 V CA -0.482 61.610 62.300 -0.348 0.000 0.827 310 V CB 0.511 31.749 31.823 -0.976 0.000 1.018 310 V HN 0.816 nan 8.190 nan 0.000 0.432 311 Y N 5.053 125.293 120.300 -0.100 0.000 2.425 311 Y HA 0.442 4.992 4.550 0.000 0.000 0.331 311 Y C 0.003 175.729 175.900 -0.290 0.000 1.157 311 Y CA 0.049 58.060 58.100 -0.148 0.000 1.372 311 Y CB 1.206 39.599 38.460 -0.112 0.000 1.253 311 Y HN 0.386 nan 8.280 nan 0.000 0.536 312 V N 9.109 128.471 119.914 -0.920 0.000 2.304 312 V HA 0.274 4.394 4.120 0.000 0.000 0.278 312 V C -2.285 173.207 176.094 -1.004 0.000 1.018 312 V CA -2.172 59.725 62.300 -0.670 0.000 0.814 312 V CB 0.892 32.568 31.823 -0.244 0.000 1.021 312 V HN 0.738 nan 8.190 nan 0.000 0.440 313 P HA 0.023 nan 4.420 nan 0.000 0.258 313 P C 0.730 177.879 177.300 -0.251 0.000 1.172 313 P CA 1.154 63.967 63.100 -0.479 0.000 0.762 313 P CB 0.460 32.064 31.700 -0.160 0.000 0.764 314 A N 4.371 127.097 122.820 -0.156 0.000 2.826 314 A HA -0.262 4.058 4.320 0.000 0.000 0.274 314 A C 1.145 178.683 177.584 -0.076 0.000 1.443 314 A CA 1.137 53.140 52.037 -0.056 0.000 0.833 314 A CB -2.427 16.568 19.000 -0.008 0.000 1.023 314 A HN 0.634 nan 8.150 nan 0.000 0.600 315 D N -1.964 118.353 120.400 -0.139 0.000 3.079 315 D HA -0.198 4.442 4.640 0.000 0.000 0.214 315 D C -0.185 176.075 176.300 -0.067 0.000 1.145 315 D CA 1.917 55.860 54.000 -0.096 0.000 0.958 315 D CB -0.961 39.812 40.800 -0.045 0.000 1.117 315 D HN 0.934 nan 8.370 nan 0.000 0.416 316 D N 0.602 120.958 120.400 -0.074 0.000 2.468 316 D HA 0.226 4.866 4.640 0.000 0.000 0.218 316 D C 1.653 177.949 176.300 -0.006 0.000 1.155 316 D CA -0.311 53.672 54.000 -0.029 0.000 0.924 316 D CB 0.031 40.824 40.800 -0.011 0.000 1.029 316 D HN 0.151 nan 8.370 nan 0.000 0.515 317 L N 2.218 123.452 121.223 0.019 0.000 2.261 317 L HA -0.137 4.203 4.340 0.000 0.000 0.216 317 L C 2.405 179.333 176.870 0.096 0.000 1.114 317 L CA 1.533 56.427 54.840 0.089 0.000 0.777 317 L CB -0.469 41.631 42.059 0.067 0.000 0.910 317 L HN 0.469 nan 8.230 nan 0.000 0.440 318 T N -4.186 110.394 114.554 0.043 0.000 3.113 318 T HA -0.058 4.292 4.350 0.000 0.000 0.256 318 T C 0.605 175.351 174.700 0.076 0.000 1.131 318 T CA -0.303 61.823 62.100 0.043 0.000 1.074 318 T CB -0.523 68.352 68.868 0.012 0.000 0.944 318 T HN 0.223 nan 8.240 nan 0.000 0.516 319 D N 2.633 123.087 120.400 0.091 0.000 2.525 319 D HA 0.082 4.722 4.640 0.000 0.000 0.235 319 D C -1.250 175.131 176.300 0.134 0.000 1.137 319 D CA -1.332 52.752 54.000 0.140 0.000 0.868 319 D CB 1.025 41.910 40.800 0.142 0.000 1.180 319 D HN 0.019 nan 8.370 nan 0.000 0.465 320 P HA -0.297 nan 4.420 nan 0.000 0.217 320 P C 0.835 178.105 177.300 -0.051 0.000 1.162 320 P CA 2.214 65.306 63.100 -0.012 0.000 0.901 320 P CB -0.049 31.568 31.700 -0.139 0.000 0.793 321 A N 0.218 122.962 122.820 -0.127 0.000 1.837 321 A HA -0.183 4.137 4.320 0.000 0.000 0.216 321 A C 0.020 177.702 177.584 0.164 0.000 1.210 321 A CA 3.086 55.141 52.037 0.029 0.000 0.632 321 A CB -2.429 16.750 19.000 0.297 0.000 0.843 321 A HN 0.214 nan 8.150 nan 0.000 0.448 322 P HA -0.198 nan 4.420 nan 0.000 0.216 322 P C 1.518 179.047 177.300 0.381 0.000 1.150 322 P CA 2.254 65.507 63.100 0.256 0.000 0.843 322 P CB -0.250 31.585 31.700 0.225 0.000 0.787 323 A N -0.231 122.790 122.820 0.334 0.000 1.930 323 A HA -0.087 4.233 4.320 0.000 0.000 0.217 323 A C 2.087 179.872 177.584 0.336 0.000 1.175 323 A CA 1.971 54.233 52.037 0.375 0.000 0.627 323 A CB -1.796 17.314 19.000 0.182 0.000 0.815 323 A HN 0.229 nan 8.150 nan 0.000 0.443 324 T N -0.428 114.257 114.554 0.220 0.000 3.163 324 T HA 0.019 4.369 4.350 0.000 0.000 0.260 324 T C 1.325 176.189 174.700 0.275 0.000 1.156 324 T CA 1.436 63.657 62.100 0.201 0.000 1.072 324 T CB -0.146 68.790 68.868 0.114 0.000 0.937 324 T HN 0.448 nan 8.240 nan 0.000 0.528 325 T N 0.795 115.516 114.554 0.278 0.000 3.015 325 T HA 0.241 4.591 4.350 0.000 0.000 0.250 325 T C 1.296 176.162 174.700 0.276 0.000 1.057 325 T CA -0.082 62.148 62.100 0.216 0.000 1.066 325 T CB -0.163 68.746 68.868 0.069 0.000 0.959 325 T HN 0.313 nan 8.240 nan 0.000 0.488 326 F N 2.184 122.300 119.950 0.278 0.000 2.134 326 F HA 0.010 4.537 4.527 0.000 0.000 0.299 326 F C 2.627 178.491 175.800 0.107 0.000 1.097 326 F CA 1.029 59.114 58.000 0.141 0.000 1.264 326 F CB -0.514 38.447 39.000 -0.066 0.000 1.001 326 F HN 0.142 nan 8.300 nan 0.000 0.479 327 A N -1.115 121.861 122.820 0.261 0.000 1.969 327 A HA -0.179 4.141 4.320 0.000 0.000 0.218 327 A C 1.697 179.287 177.584 0.010 0.000 1.169 327 A CA 1.278 53.365 52.037 0.085 0.000 0.635 327 A CB -1.029 17.966 19.000 -0.009 0.000 0.810 327 A HN 0.461 nan 8.150 nan 0.000 0.445 328 H N -1.104 118.013 119.070 0.078 0.000 2.553 328 H HA 0.272 4.828 4.556 0.000 0.000 0.269 328 H C -0.465 174.876 175.328 0.021 0.000 1.011 328 H CA 0.498 56.567 56.048 0.035 0.000 1.150 328 H CB -0.218 29.551 29.762 0.010 0.000 1.339 328 H HN 0.309 nan 8.280 nan 0.000 0.604 329 L N -0.069 121.234 121.223 0.133 0.000 2.388 329 L HA 0.188 4.528 4.340 0.000 0.000 0.264 329 L C 0.564 177.478 176.870 0.073 0.000 0.998 329 L CA -0.644 54.250 54.840 0.090 0.000 0.817 329 L CB 2.487 44.615 42.059 0.116 0.000 1.338 329 L HN -0.134 nan 8.230 nan 0.000 0.414 330 D N 1.166 121.591 120.400 0.042 0.000 2.301 330 D HA 0.162 4.802 4.640 0.000 0.000 0.206 330 D C 0.307 176.650 176.300 0.071 0.000 0.979 330 D CA 0.635 54.662 54.000 0.046 0.000 0.874 330 D CB 0.892 41.707 40.800 0.026 0.000 0.968 330 D HN 0.488 nan 8.370 nan 0.000 0.510 331 A N 0.699 123.560 122.820 0.068 0.000 2.381 331 A HA 0.527 4.847 4.320 0.000 0.000 0.299 331 A C -0.335 177.331 177.584 0.136 0.000 1.049 331 A CA -0.632 51.482 52.037 0.129 0.000 0.715 331 A CB 1.328 20.466 19.000 0.231 0.000 1.222 331 A HN -0.025 nan 8.150 nan 0.000 0.428 332 T N -0.101 114.564 114.554 0.185 0.000 2.772 332 T HA 0.640 4.990 4.350 0.000 0.000 0.288 332 T C -0.309 174.525 174.700 0.222 0.000 0.994 332 T CA -0.369 61.877 62.100 0.243 0.000 0.951 332 T CB 0.872 69.857 68.868 0.195 0.000 0.933 332 T HN 0.426 nan 8.240 nan 0.000 0.447 333 T N 3.842 118.542 114.554 0.244 0.000 2.758 333 T HA 0.518 4.868 4.350 0.000 0.000 0.285 333 T C -0.221 174.574 174.700 0.158 0.000 0.981 333 T CA -0.570 61.622 62.100 0.153 0.000 0.965 333 T CB 0.942 69.864 68.868 0.091 0.000 0.927 333 T HN 0.652 nan 8.240 nan 0.000 0.448 334 V N 5.775 125.757 119.914 0.115 0.000 2.350 334 V HA 0.393 4.513 4.120 0.000 0.000 0.285 334 V C -0.096 176.030 176.094 0.054 0.000 1.014 334 V CA -0.918 61.460 62.300 0.130 0.000 0.831 334 V CB 0.927 32.811 31.823 0.102 0.000 1.000 334 V HN 0.749 nan 8.190 nan 0.000 0.433 335 L N 3.685 124.933 121.223 0.043 0.000 2.265 335 L HA 0.536 4.876 4.340 0.000 0.000 0.288 335 L C 0.556 177.437 176.870 0.018 0.000 1.058 335 L CA 0.176 55.024 54.840 0.014 0.000 0.809 335 L CB 1.341 43.406 42.059 0.011 0.000 1.179 335 L HN 0.635 nan 8.230 nan 0.000 0.429 336 S N 2.432 118.132 115.700 -0.001 0.000 2.489 336 S HA 0.294 4.764 4.470 0.000 0.000 0.291 336 S C 1.036 175.623 174.600 -0.021 0.000 1.151 336 S CA -0.650 57.545 58.200 -0.008 0.000 1.082 336 S CB 1.474 64.667 63.200 -0.012 0.000 1.019 336 S HN 0.755 nan 8.310 nan 0.000 0.492 337 R N 3.455 123.948 120.500 -0.011 0.000 2.083 337 R HA -0.079 4.261 4.340 0.000 0.000 0.237 337 R C 2.206 178.490 176.300 -0.027 0.000 1.137 337 R CA 2.071 58.165 56.100 -0.010 0.000 0.951 337 R CB -1.149 29.153 30.300 0.003 0.000 0.851 337 R HN 0.860 nan 8.270 nan 0.000 0.434 338 G N 1.123 109.911 108.800 -0.021 0.000 2.503 338 G HA2 -0.264 3.696 3.960 0.000 0.000 0.221 338 G HA3 -0.264 3.696 3.960 0.000 0.000 0.221 338 G C 1.402 176.280 174.900 -0.036 0.000 1.131 338 G CA 1.289 46.377 45.100 -0.021 0.000 0.756 338 G HN 0.346 nan 8.290 nan 0.000 0.572 339 I N 1.367 121.904 120.570 -0.055 0.000 2.400 339 I HA -0.102 4.068 4.170 0.000 0.000 0.248 339 I C 3.117 179.126 176.117 -0.179 0.000 1.109 339 I CA 1.335 62.584 61.300 -0.085 0.000 1.425 339 I CB -0.566 37.390 38.000 -0.073 0.000 1.094 339 I HN 0.339 nan 8.210 nan 0.000 0.425 340 S N 0.938 116.503 115.700 -0.226 0.000 2.399 340 S HA -0.184 4.286 4.470 0.000 0.000 0.231 340 S C 1.675 176.137 174.600 -0.230 0.000 1.022 340 S CA 1.105 59.050 58.200 -0.425 0.000 0.983 340 S CB -0.543 62.519 63.200 -0.229 0.000 0.803 340 S HN 0.495 nan 8.310 nan 0.000 0.480 341 E N 0.952 121.098 120.200 -0.090 0.000 2.347 341 E HA 0.094 4.444 4.350 0.000 0.000 0.196 341 E C 1.556 178.145 176.600 -0.019 0.000 1.008 341 E CA 0.616 57.003 56.400 -0.021 0.000 0.852 341 E CB -0.292 29.405 29.700 -0.005 0.000 0.783 341 E HN 0.558 nan 8.360 nan 0.000 0.505 342 L N -0.339 120.855 121.223 -0.049 0.000 2.599 342 L HA 0.090 4.430 4.340 0.000 0.000 0.230 342 L C 1.435 178.304 176.870 -0.002 0.000 1.141 342 L CA 0.414 55.237 54.840 -0.027 0.000 0.877 342 L CB -0.034 42.010 42.059 -0.025 0.000 1.009 342 L HN 0.281 nan 8.230 nan 0.000 0.447 343 G N 0.294 109.098 108.800 0.007 0.000 2.159 343 G HA2 -0.240 3.720 3.960 0.000 0.000 0.256 343 G HA3 -0.240 3.720 3.960 0.000 0.000 0.256 343 G C 0.270 175.312 174.900 0.236 0.000 0.977 343 G CA -0.292 44.914 45.100 0.177 0.000 0.652 343 G HN 0.165 nan 8.290 nan 0.000 0.531 344 I N 0.878 121.428 120.570 -0.033 0.000 2.337 344 I HA 0.513 4.683 4.170 0.000 0.000 0.291 344 I C 0.054 175.957 176.117 -0.357 0.000 1.046 344 I CA -0.769 60.508 61.300 -0.038 0.000 1.324 344 I CB -0.304 37.683 38.000 -0.022 0.000 1.409 344 I HN 0.066 nan 8.210 nan 0.000 0.494 345 Y N 6.779 127.064 120.300 -0.025 0.000 2.512 345 Y HA 0.344 4.894 4.550 0.000 0.000 0.348 345 Y C -1.634 174.148 175.900 -0.197 0.000 0.990 345 Y CA -1.848 56.187 58.100 -0.107 0.000 1.033 345 Y CB 1.501 39.860 38.460 -0.169 0.000 1.259 345 Y HN 0.321 nan 8.280 nan 0.000 0.461 346 P HA -0.261 nan 4.420 nan 0.000 0.218 346 P C 0.525 177.976 177.300 0.251 0.000 1.150 346 P CA 3.229 66.442 63.100 0.188 0.000 0.841 346 P CB 0.205 32.248 31.700 0.572 0.000 0.784 347 A N -4.785 118.067 122.820 0.054 0.000 3.667 347 A HA -0.116 4.204 4.320 0.000 0.000 0.218 347 A C 0.393 177.968 177.584 -0.015 0.000 1.273 347 A CA 0.119 52.103 52.037 -0.088 0.000 1.335 347 A CB -2.346 16.562 19.000 -0.153 0.000 1.059 347 A HN 0.081 nan 8.150 nan 0.000 0.850 348 V N 2.104 122.041 119.914 0.039 0.000 2.655 348 V HA 0.262 4.382 4.120 0.000 0.000 0.300 348 V C 0.874 176.973 176.094 0.008 0.000 1.044 348 V CA 0.437 62.751 62.300 0.023 0.000 1.095 348 V CB 1.105 32.967 31.823 0.064 0.000 0.952 348 V HN 0.530 nan 8.190 nan 0.000 0.485 349 D N 7.481 127.882 120.400 0.002 0.000 2.401 349 D HA 0.099 4.739 4.640 0.000 0.000 0.254 349 D C -1.245 175.053 176.300 -0.004 0.000 1.192 349 D CA -1.723 52.275 54.000 -0.002 0.000 0.885 349 D CB 1.746 42.545 40.800 -0.003 0.000 1.147 349 D HN 0.300 nan 8.370 nan 0.000 0.478 350 P HA -0.030 nan 4.420 nan 0.000 0.233 350 P C 1.381 178.662 177.300 -0.032 0.000 1.167 350 P CA 0.505 63.589 63.100 -0.027 0.000 0.770 350 P CB 0.621 32.299 31.700 -0.036 0.000 0.837 351 L N -0.662 120.547 121.223 -0.023 0.000 2.262 351 L HA 0.178 4.518 4.340 0.000 0.000 0.197 351 L C 1.335 178.187 176.870 -0.030 0.000 1.073 351 L CA 0.802 55.624 54.840 -0.028 0.000 0.800 351 L CB -0.519 41.525 42.059 -0.024 0.000 0.987 351 L HN -0.143 nan 8.230 nan 0.000 0.470 352 D N 0.556 120.940 120.400 -0.028 0.000 3.072 352 D HA 0.115 4.755 4.640 0.000 0.000 0.250 352 D C -0.719 175.573 176.300 -0.014 0.000 1.304 352 D CA 0.150 54.127 54.000 -0.038 0.000 0.861 352 D CB 0.246 41.011 40.800 -0.058 0.000 1.062 352 D HN -0.083 nan 8.370 nan 0.000 0.481 353 S N 0.657 116.360 115.700 0.006 0.000 2.707 353 S HA 0.466 4.936 4.470 0.000 0.000 0.303 353 S C -0.357 174.272 174.600 0.048 0.000 1.132 353 S CA -0.850 57.376 58.200 0.044 0.000 1.046 353 S CB 1.685 64.916 63.200 0.051 0.000 1.004 353 S HN 0.098 nan 8.310 nan 0.000 0.483 354 K N 1.390 121.833 120.400 0.071 0.000 2.267 354 K HA 0.754 5.074 4.320 0.000 0.000 0.246 354 K C -0.678 175.984 176.600 0.103 0.000 0.954 354 K CA -0.592 55.735 56.287 0.067 0.000 0.824 354 K CB 1.929 34.454 32.500 0.041 0.000 1.167 354 K HN 0.508 nan 8.250 nan 0.000 0.431 355 S N 0.719 116.473 115.700 0.091 0.000 2.548 355 S HA 0.250 4.720 4.470 0.000 0.000 0.276 355 S C 0.220 174.867 174.600 0.079 0.000 1.129 355 S CA -0.946 57.317 58.200 0.106 0.000 0.931 355 S CB 1.050 64.329 63.200 0.132 0.000 1.068 355 S HN 0.733 nan 8.310 nan 0.000 0.480 356 R N 3.506 124.049 120.500 0.073 0.000 2.316 356 R HA 0.232 4.572 4.340 0.000 0.000 0.202 356 R C 0.948 177.279 176.300 0.052 0.000 1.029 356 R CA 0.531 56.665 56.100 0.057 0.000 1.018 356 R CB -0.460 29.868 30.300 0.047 0.000 0.888 356 R HN 0.592 nan 8.270 nan 0.000 0.471 357 L N 1.175 122.432 121.223 0.056 0.000 2.612 357 L HA 0.151 4.491 4.340 0.000 0.000 0.230 357 L C 0.338 177.231 176.870 0.038 0.000 1.140 357 L CA -0.277 54.588 54.840 0.041 0.000 0.896 357 L CB 0.109 42.192 42.059 0.040 0.000 1.065 357 L HN 0.181 nan 8.230 nan 0.000 0.447 358 L N 1.116 122.378 121.223 0.064 0.000 2.384 358 L HA 0.245 4.585 4.340 0.000 0.000 0.258 358 L C -0.743 176.247 176.870 0.200 0.000 1.266 358 L CA 0.603 55.506 54.840 0.106 0.000 1.162 358 L CB -0.482 41.627 42.059 0.084 0.000 1.375 358 L HN -0.037 nan 8.230 nan 0.000 0.420 359 D N 1.310 121.792 120.400 0.136 0.000 2.934 359 D HA 0.468 5.108 4.640 0.000 0.000 0.230 359 D C 0.660 176.945 176.300 -0.026 0.000 1.204 359 D CA 0.150 54.174 54.000 0.039 0.000 0.873 359 D CB 2.307 43.107 40.800 -0.001 0.000 1.645 359 D HN 0.282 nan 8.370 nan 0.000 0.502 360 A N 2.597 125.283 122.820 -0.222 0.000 1.940 360 A HA -0.021 4.299 4.320 0.000 0.000 0.219 360 A C 1.900 179.435 177.584 -0.083 0.000 1.176 360 A CA 2.027 53.951 52.037 -0.188 0.000 0.631 360 A CB -0.497 18.293 19.000 -0.350 0.000 0.814 360 A HN 0.586 nan 8.150 nan 0.000 0.446 361 A N -0.986 121.784 122.820 -0.084 0.000 2.172 361 A HA 0.190 4.510 4.320 0.000 0.000 0.216 361 A C 1.913 179.481 177.584 -0.028 0.000 1.154 361 A CA 1.602 53.611 52.037 -0.048 0.000 0.701 361 A CB -0.325 18.647 19.000 -0.046 0.000 0.789 361 A HN 0.387 nan 8.150 nan 0.000 0.465 362 V N -1.036 118.862 119.914 -0.027 0.000 2.922 362 V HA -0.046 4.074 4.120 0.000 0.000 0.242 362 V C 2.189 178.262 176.094 -0.034 0.000 1.094 362 V CA 1.421 63.707 62.300 -0.022 0.000 1.106 362 V CB 0.500 32.313 31.823 -0.017 0.000 0.799 362 V HN 0.506 nan 8.190 nan 0.000 0.474 363 V N -2.204 117.682 119.914 -0.048 0.000 3.621 363 V HA 0.763 4.883 4.120 0.000 0.000 0.263 363 V C 0.830 176.937 176.094 0.021 0.000 1.272 363 V CA 0.373 62.614 62.300 -0.098 0.000 1.080 363 V CB -0.196 31.408 31.823 -0.366 0.000 0.816 363 V HN 0.840 nan 8.190 nan 0.000 0.451 364 G N 0.809 109.635 108.800 0.044 0.000 2.788 364 G HA2 -0.156 3.804 3.960 0.000 0.000 0.686 364 G HA3 -0.156 3.804 3.960 0.000 0.000 0.686 364 G C -0.174 174.799 174.900 0.121 0.000 1.147 364 G CA 0.203 45.348 45.100 0.075 0.000 0.755 364 G HN 0.426 nan 8.290 nan 0.000 0.634 365 Q N 0.132 119.981 119.800 0.082 0.000 2.135 365 Q HA -0.104 4.236 4.340 0.000 0.000 0.204 365 Q C 2.303 178.399 176.000 0.160 0.000 0.981 365 Q CA 2.685 58.548 55.803 0.100 0.000 0.856 365 Q CB -0.137 28.631 28.738 0.049 0.000 0.902 365 Q HN 0.782 nan 8.270 nan 0.000 0.425 366 E N -1.181 119.101 120.200 0.136 0.000 2.110 366 E HA -0.234 4.116 4.350 0.000 0.000 0.193 366 E C 1.775 178.468 176.600 0.155 0.000 0.988 366 E CA 0.992 57.467 56.400 0.125 0.000 0.804 366 E CB -0.140 29.617 29.700 0.095 0.000 0.745 366 E HN 0.525 nan 8.360 nan 0.000 0.458 367 H N -0.615 118.513 119.070 0.096 0.000 2.395 367 H HA -0.137 4.419 4.556 0.000 0.000 0.299 367 H C 1.744 177.130 175.328 0.097 0.000 1.070 367 H CA 1.379 57.479 56.048 0.086 0.000 1.356 367 H CB -0.239 29.570 29.762 0.079 0.000 1.401 367 H HN 0.246 nan 8.280 nan 0.000 0.524 368 Y N 1.579 122.001 120.300 0.202 0.000 2.133 368 Y HA -0.182 4.368 4.550 0.000 0.000 0.287 368 Y C 2.132 178.080 175.900 0.081 0.000 1.134 368 Y CA 2.028 60.199 58.100 0.120 0.000 1.133 368 Y CB -0.212 38.286 38.460 0.064 0.000 0.987 368 Y HN 0.173 nan 8.280 nan 0.000 0.502 369 D N -0.618 119.912 120.400 0.217 0.000 2.116 369 D HA -0.210 4.430 4.640 0.000 0.000 0.193 369 D C 2.370 178.690 176.300 0.033 0.000 0.998 369 D CA 1.890 55.959 54.000 0.116 0.000 0.836 369 D CB -0.621 40.251 40.800 0.120 0.000 0.951 369 D HN 0.255 nan 8.370 nan 0.000 0.449 370 V N 1.057 120.989 119.914 0.031 0.000 2.255 370 V HA -0.220 3.900 4.120 0.000 0.000 0.247 370 V C 2.244 178.302 176.094 -0.060 0.000 1.051 370 V CA 1.916 64.216 62.300 0.000 0.000 1.018 370 V CB -0.884 30.936 31.823 -0.006 0.000 0.641 370 V HN 0.246 nan 8.190 nan 0.000 0.445 371 A N -1.224 121.541 122.820 -0.092 0.000 2.252 371 A HA 0.027 4.347 4.320 0.000 0.000 0.207 371 A C 2.245 179.707 177.584 -0.203 0.000 1.194 371 A CA 1.329 53.278 52.037 -0.146 0.000 0.809 371 A CB -0.275 18.680 19.000 -0.075 0.000 0.814 371 A HN 0.473 nan 8.150 nan 0.000 0.482 372 S N -0.976 114.603 115.700 -0.202 0.000 2.517 372 S HA 0.056 4.526 4.470 0.000 0.000 0.228 372 S C 1.818 176.361 174.600 -0.095 0.000 1.060 372 S CA 0.681 58.762 58.200 -0.198 0.000 0.937 372 S CB -0.002 63.065 63.200 -0.222 0.000 0.840 372 S HN 0.610 nan 8.310 nan 0.000 0.546 373 K N 1.447 121.814 120.400 -0.054 0.000 2.283 373 K HA 0.024 4.344 4.320 0.000 0.000 0.202 373 K C 1.702 178.289 176.600 -0.021 0.000 1.048 373 K CA 0.611 56.887 56.287 -0.019 0.000 0.948 373 K CB -0.098 32.408 32.500 0.009 0.000 0.742 373 K HN 0.093 nan 8.250 nan 0.000 0.458 374 V N 1.280 121.164 119.914 -0.049 0.000 2.261 374 V HA -0.273 3.847 4.120 0.000 0.000 0.246 374 V C 2.231 178.287 176.094 -0.063 0.000 1.047 374 V CA 1.755 64.017 62.300 -0.064 0.000 1.015 374 V CB -0.387 31.344 31.823 -0.154 0.000 0.642 374 V HN 0.426 nan 8.190 nan 0.000 0.446 375 Q N -0.554 119.198 119.800 -0.080 0.000 2.170 375 Q HA -0.228 4.112 4.340 0.000 0.000 0.203 375 Q C 2.212 178.192 176.000 -0.033 0.000 0.976 375 Q CA 1.597 57.362 55.803 -0.063 0.000 0.858 375 Q CB -0.137 28.552 28.738 -0.081 0.000 0.907 375 Q HN 0.717 nan 8.270 nan 0.000 0.433 376 E N -0.175 120.009 120.200 -0.027 0.000 2.112 376 E HA -0.083 4.267 4.350 0.000 0.000 0.190 376 E C 1.866 178.473 176.600 0.012 0.000 0.979 376 E CA 1.249 57.645 56.400 -0.007 0.000 0.814 376 E CB 0.121 29.818 29.700 -0.005 0.000 0.762 376 E HN 0.274 nan 8.360 nan 0.000 0.460 377 T N 1.419 115.980 114.554 0.012 0.000 2.915 377 T HA -0.042 4.308 4.350 0.000 0.000 0.269 377 T C 1.884 176.616 174.700 0.054 0.000 1.071 377 T CA 0.673 62.791 62.100 0.029 0.000 1.132 377 T CB 0.004 68.880 68.868 0.014 0.000 0.878 377 T HN 0.073 nan 8.240 nan 0.000 0.479 378 L N 0.460 121.704 121.223 0.034 0.000 2.270 378 L HA 0.079 4.419 4.340 0.000 0.000 0.210 378 L C 2.734 179.658 176.870 0.091 0.000 1.104 378 L CA 0.632 55.508 54.840 0.060 0.000 0.804 378 L CB -0.329 41.736 42.059 0.010 0.000 0.937 378 L HN 0.150 nan 8.230 nan 0.000 0.450 379 Q N 0.099 119.928 119.800 0.047 0.000 2.123 379 Q HA -0.124 4.216 4.340 0.000 0.000 0.199 379 Q C 2.013 178.036 176.000 0.039 0.000 0.966 379 Q CA 2.050 57.873 55.803 0.033 0.000 0.845 379 Q CB -0.270 28.473 28.738 0.008 0.000 0.907 379 Q HN 0.287 nan 8.270 nan 0.000 0.439 380 T N -0.073 114.511 114.554 0.051 0.000 2.788 380 T HA -0.156 4.194 4.350 0.000 0.000 0.268 380 T C 1.236 175.974 174.700 0.063 0.000 1.044 380 T CA 1.417 63.545 62.100 0.046 0.000 1.139 380 T CB -0.538 68.359 68.868 0.048 0.000 0.867 380 T HN 0.418 nan 8.240 nan 0.000 0.454 381 Y N 1.697 121.987 120.300 -0.018 0.000 2.200 381 Y HA -0.014 4.536 4.550 0.000 0.000 0.290 381 Y C 2.453 178.341 175.900 -0.020 0.000 1.137 381 Y CA 1.341 59.430 58.100 -0.019 0.000 1.163 381 Y CB -0.077 38.371 38.460 -0.020 0.000 0.988 381 Y HN -0.001 nan 8.280 nan 0.000 0.518 382 K N -0.817 119.612 120.400 0.048 0.000 2.211 382 K HA -0.091 4.229 4.320 0.000 0.000 0.203 382 K C 1.869 178.419 176.600 -0.084 0.000 1.050 382 K CA 1.318 57.591 56.287 -0.023 0.000 0.945 382 K CB -0.151 32.368 32.500 0.032 0.000 0.732 382 K HN 0.161 nan 8.250 nan 0.000 0.451 383 S N 0.485 116.145 115.700 -0.067 0.000 2.603 383 S HA 0.132 4.602 4.470 0.000 0.000 0.220 383 S C 1.242 175.785 174.600 -0.095 0.000 0.967 383 S CA 0.190 58.350 58.200 -0.066 0.000 0.920 383 S CB 0.180 63.356 63.200 -0.039 0.000 0.773 383 S HN 0.254 nan 8.310 nan 0.000 0.529 384 L N 0.067 121.195 121.223 -0.159 0.000 2.575 384 L HA 0.195 4.535 4.340 0.000 0.000 0.228 384 L C 1.911 178.656 176.870 -0.208 0.000 1.075 384 L CA 0.377 55.112 54.840 -0.175 0.000 0.867 384 L CB -0.055 41.892 42.059 -0.187 0.000 1.097 384 L HN 0.194 nan 8.230 nan 0.000 0.485 385 Q N 0.134 119.772 119.800 -0.270 0.000 2.488 385 Q HA -0.149 4.191 4.340 0.000 0.000 0.211 385 Q C 0.546 176.471 176.000 -0.125 0.000 0.967 385 Q CA 0.795 56.466 55.803 -0.221 0.000 0.926 385 Q CB 0.049 28.644 28.738 -0.239 0.000 0.992 385 Q HN 0.407 nan 8.270 nan 0.000 0.506 386 D N -0.646 119.690 120.400 -0.105 0.000 2.378 386 D HA -0.026 4.614 4.640 0.000 0.000 0.227 386 D C 0.580 176.843 176.300 -0.062 0.000 1.012 386 D CA 0.760 54.718 54.000 -0.070 0.000 0.905 386 D CB 0.312 41.076 40.800 -0.060 0.000 0.895 386 D HN 0.235 nan 8.370 nan 0.000 0.532 387 I N -0.741 119.785 120.570 -0.074 0.000 4.578 387 I HA 0.000 4.170 4.170 0.000 0.000 0.312 387 I C 1.460 177.542 176.117 -0.058 0.000 1.224 387 I CA 0.027 61.292 61.300 -0.059 0.000 1.318 387 I CB 0.554 38.519 38.000 -0.059 0.000 1.388 387 I HN -0.136 nan 8.210 nan 0.000 0.461 388 I N 1.415 121.938 120.570 -0.078 0.000 2.454 388 I HA -0.170 4.000 4.170 0.000 0.000 0.254 388 I C 2.619 178.708 176.117 -0.047 0.000 1.156 388 I CA 1.505 62.765 61.300 -0.066 0.000 1.433 388 I CB -1.623 36.322 38.000 -0.092 0.000 1.082 388 I HN 0.175 nan 8.210 nan 0.000 0.432 389 A N 0.874 123.664 122.820 -0.049 0.000 1.969 389 A HA -0.101 4.219 4.320 0.000 0.000 0.218 389 A C 2.246 179.815 177.584 -0.026 0.000 1.169 389 A CA 1.437 53.453 52.037 -0.034 0.000 0.635 389 A CB -0.332 18.647 19.000 -0.035 0.000 0.810 389 A HN 0.345 nan 8.150 nan 0.000 0.445 390 I N -1.315 119.239 120.570 -0.028 0.000 2.726 390 I HA 0.056 4.226 4.170 0.000 0.000 0.243 390 I C 2.203 178.308 176.117 -0.019 0.000 1.082 390 I CA 0.613 61.900 61.300 -0.022 0.000 1.447 390 I CB -0.376 37.611 38.000 -0.022 0.000 1.250 390 I HN 0.146 nan 8.210 nan 0.000 0.453 391 L N 0.078 121.288 121.223 -0.022 0.000 2.131 391 L HA 0.229 4.569 4.340 0.000 0.000 0.206 391 L C 0.952 177.812 176.870 -0.016 0.000 1.087 391 L CA 0.611 55.440 54.840 -0.018 0.000 0.767 391 L CB -0.762 41.285 42.059 -0.020 0.000 0.917 391 L HN 0.509 nan 8.230 nan 0.000 0.441 392 G N -1.102 107.686 108.800 -0.019 0.000 2.712 392 G HA2 -0.259 3.701 3.960 0.000 0.000 0.686 392 G HA3 -0.259 3.701 3.960 0.000 0.000 0.686 392 G C 0.138 175.030 174.900 -0.014 0.000 1.321 392 G CA -0.231 44.861 45.100 -0.014 0.000 0.813 392 G HN -0.023 nan 8.290 nan 0.000 0.599 393 M N -0.065 119.530 119.600 -0.008 0.000 2.629 393 M HA -0.056 4.424 4.480 0.000 0.000 0.257 393 M C 1.838 178.137 176.300 -0.001 0.000 1.071 393 M CA 1.818 57.116 55.300 -0.003 0.000 1.077 393 M CB -0.324 32.281 32.600 0.008 0.000 1.423 393 M HN 0.674 nan 8.290 nan 0.000 0.508 394 D N 0.146 120.545 120.400 -0.002 0.000 2.269 394 D HA -0.171 4.469 4.640 0.000 0.000 0.208 394 D C 1.677 177.975 176.300 -0.003 0.000 0.963 394 D CA 0.910 54.910 54.000 -0.001 0.000 0.864 394 D CB 0.291 41.090 40.800 -0.001 0.000 0.936 394 D HN 0.242 nan 8.370 nan 0.000 0.505 395 E N -0.704 119.492 120.200 -0.006 0.000 2.474 395 E HA 0.068 4.418 4.350 0.000 0.000 0.194 395 E C 0.070 176.666 176.600 -0.008 0.000 1.041 395 E CA -0.042 56.354 56.400 -0.008 0.000 0.874 395 E CB 0.159 29.852 29.700 -0.011 0.000 0.914 395 E HN 0.147 nan 8.360 nan 0.000 0.498 396 L N 0.918 122.137 121.223 -0.007 0.000 2.436 396 L HA 0.188 4.528 4.340 0.000 0.000 0.265 396 L C 0.881 177.750 176.870 -0.001 0.000 1.168 396 L CA 0.110 54.947 54.840 -0.006 0.000 0.815 396 L CB 0.935 42.992 42.059 -0.005 0.000 1.109 396 L HN 0.091 nan 8.230 nan 0.000 0.462 397 S N 0.792 116.492 115.700 -0.001 0.000 2.596 397 S HA 0.015 4.485 4.470 0.000 0.000 0.260 397 S C 1.267 175.871 174.600 0.006 0.000 1.336 397 S CA -0.333 57.868 58.200 0.002 0.000 0.993 397 S CB 0.646 63.846 63.200 0.002 0.000 0.923 397 S HN 0.575 nan 8.310 nan 0.000 0.567 398 E N 1.381 121.584 120.200 0.006 0.000 2.031 398 E HA -0.211 4.139 4.350 0.000 0.000 0.193 398 E C 1.970 178.576 176.600 0.010 0.000 0.994 398 E CA 1.483 57.887 56.400 0.007 0.000 0.800 398 E CB -0.472 29.232 29.700 0.006 0.000 0.752 398 E HN 0.814 nan 8.360 nan 0.000 0.447 399 Q N 0.350 120.156 119.800 0.010 0.000 2.187 399 Q HA -0.125 4.215 4.340 0.000 0.000 0.199 399 Q C 1.348 177.360 176.000 0.019 0.000 0.957 399 Q CA 1.062 56.873 55.803 0.014 0.000 0.857 399 Q CB 0.249 28.994 28.738 0.013 0.000 0.929 399 Q HN 0.117 nan 8.270 nan 0.000 0.453 400 D N 0.390 120.801 120.400 0.018 0.000 2.144 400 D HA -0.125 4.515 4.640 0.000 0.000 0.200 400 D C 1.522 177.843 176.300 0.034 0.000 0.978 400 D CA 0.974 54.988 54.000 0.024 0.000 0.833 400 D CB 0.008 40.815 40.800 0.012 0.000 0.961 400 D HN 0.199 nan 8.370 nan 0.000 0.470 401 K N -0.028 120.387 120.400 0.025 0.000 2.063 401 K HA -0.108 4.212 4.320 0.000 0.000 0.208 401 K C 1.941 178.559 176.600 0.031 0.000 1.048 401 K CA 0.563 56.867 56.287 0.028 0.000 0.928 401 K CB -0.162 32.349 32.500 0.017 0.000 0.713 401 K HN 0.070 nan 8.250 nan 0.000 0.442 402 L N 0.698 121.935 121.223 0.023 0.000 2.418 402 L HA -0.046 4.294 4.340 0.000 0.000 0.218 402 L C 1.879 178.760 176.870 0.018 0.000 1.125 402 L CA 1.339 56.188 54.840 0.015 0.000 0.835 402 L CB -0.074 41.991 42.059 0.010 0.000 0.953 402 L HN 0.069 nan 8.230 nan 0.000 0.454 403 T N -1.739 112.836 114.554 0.035 0.000 2.821 403 T HA -0.127 4.223 4.350 0.000 0.000 0.267 403 T C 1.952 176.702 174.700 0.084 0.000 1.046 403 T CA 1.413 63.542 62.100 0.049 0.000 1.139 403 T CB -0.124 68.779 68.868 0.059 0.000 0.871 403 T HN 0.107 nan 8.240 nan 0.000 0.454 404 V N 1.499 121.492 119.914 0.131 0.000 2.295 404 V HA -0.172 3.948 4.120 0.000 0.000 0.246 404 V C 2.481 178.599 176.094 0.040 0.000 1.049 404 V CA 1.748 64.192 62.300 0.241 0.000 1.024 404 V CB -0.460 31.502 31.823 0.232 0.000 0.648 404 V HN 0.541 nan 8.190 nan 0.000 0.447 405 E N -0.563 119.638 120.200 0.001 0.000 2.072 405 E HA -0.184 4.166 4.350 0.000 0.000 0.191 405 E C 2.494 179.009 176.600 -0.142 0.000 0.985 405 E CA 0.996 57.359 56.400 -0.061 0.000 0.801 405 E CB -0.128 29.552 29.700 -0.032 0.000 0.750 405 E HN 0.507 nan 8.360 nan 0.000 0.452 406 R N 0.341 120.771 120.500 -0.117 0.000 2.073 406 R HA -0.022 4.318 4.340 0.000 0.000 0.229 406 R C 2.405 178.584 176.300 -0.201 0.000 1.120 406 R CA 0.979 56.990 56.100 -0.148 0.000 0.967 406 R CB -0.285 29.976 30.300 -0.066 0.000 0.862 406 R HN 0.087 nan 8.270 nan 0.000 0.436 407 A N 1.323 124.016 122.820 -0.212 0.000 1.978 407 A HA -0.195 4.125 4.320 0.000 0.000 0.220 407 A C 2.096 179.416 177.584 -0.440 0.000 1.170 407 A CA 1.347 53.198 52.037 -0.310 0.000 0.636 407 A CB -0.326 18.444 19.000 -0.384 0.000 0.810 407 A HN 0.228 nan 8.150 nan 0.000 0.448 408 R N -0.498 119.704 120.500 -0.495 0.000 2.093 408 R HA -0.022 4.318 4.340 0.000 0.000 0.224 408 R C 2.166 178.282 176.300 -0.306 0.000 1.101 408 R CA 1.446 57.301 56.100 -0.408 0.000 0.979 408 R CB -0.202 29.902 30.300 -0.327 0.000 0.877 408 R HN 0.496 nan 8.270 nan 0.000 0.441 409 K N 0.505 120.649 120.400 -0.427 0.000 2.057 409 K HA -0.109 4.211 4.320 0.000 0.000 0.207 409 K C 1.996 178.322 176.600 -0.456 0.000 1.049 409 K CA 1.360 57.179 56.287 -0.780 0.000 0.931 409 K CB -0.153 31.506 32.500 -1.402 0.000 0.714 409 K HN 0.108 nan 8.250 nan 0.000 0.440 410 I N 1.347 121.794 120.570 -0.206 0.000 2.142 410 I HA -0.322 3.848 4.170 0.000 0.000 0.240 410 I C 2.621 178.852 176.117 0.189 0.000 1.078 410 I CA 1.361 62.756 61.300 0.159 0.000 1.343 410 I CB -0.298 37.788 38.000 0.143 0.000 1.046 410 I HN 0.228 nan 8.210 nan 0.000 0.405 411 Q N 0.375 120.181 119.800 0.010 0.000 2.096 411 Q HA -0.285 4.055 4.340 0.000 0.000 0.208 411 Q C 2.416 178.482 176.000 0.109 0.000 0.993 411 Q CA 1.937 57.751 55.803 0.018 0.000 0.862 411 Q CB -0.172 28.517 28.738 -0.082 0.000 0.915 411 Q HN 0.435 nan 8.270 nan 0.000 0.416 412 R N -0.904 119.672 120.500 0.127 0.000 2.148 412 R HA -0.069 4.271 4.340 0.000 0.000 0.223 412 R C 1.856 178.373 176.300 0.361 0.000 1.088 412 R CA 0.536 56.787 56.100 0.251 0.000 0.985 412 R CB -0.053 30.402 30.300 0.258 0.000 0.880 412 R HN 0.161 nan 8.270 nan 0.000 0.451 413 F N 0.768 120.826 119.950 0.180 0.000 2.604 413 F HA 0.041 4.568 4.527 0.000 0.000 0.298 413 F C 1.227 177.212 175.800 0.308 0.000 1.131 413 F CA 0.717 58.838 58.000 0.202 0.000 1.457 413 F CB 0.062 39.120 39.000 0.097 0.000 1.095 413 F HN -0.065 nan 8.300 nan 0.000 0.574 414 L N -0.791 120.636 121.223 0.341 0.000 2.610 414 L HA 0.010 4.350 4.340 0.000 0.000 0.232 414 L C 0.975 177.913 176.870 0.112 0.000 1.149 414 L CA -0.014 54.939 54.840 0.188 0.000 0.872 414 L CB -0.729 41.397 42.059 0.112 0.000 0.992 414 L HN -0.135 nan 8.230 nan 0.000 0.447 415 S N -0.200 115.566 115.700 0.111 0.000 2.617 415 S HA 0.453 4.923 4.470 0.000 0.000 0.269 415 S C -0.258 174.336 174.600 -0.010 0.000 1.292 415 S CA -0.449 57.764 58.200 0.022 0.000 1.010 415 S CB 1.767 64.938 63.200 -0.049 0.000 0.944 415 S HN 0.190 nan 8.310 nan 0.000 0.536 416 Q N 0.570 120.327 119.800 -0.070 0.000 2.378 416 Q HA 0.342 4.682 4.340 0.000 0.000 0.262 416 Q C -3.100 172.829 176.000 -0.119 0.000 0.978 416 Q CA -1.552 54.223 55.803 -0.047 0.000 0.918 416 Q CB 1.935 30.706 28.738 0.055 0.000 1.415 416 Q HN 0.271 nan 8.270 nan 0.000 0.409 417 P HA 0.225 nan 4.420 nan 0.000 0.282 417 P C -1.081 176.311 177.300 0.155 0.000 1.274 417 P CA -0.147 62.943 63.100 -0.017 0.000 0.770 417 P CB 0.236 31.935 31.700 -0.001 0.000 0.867 418 F N 1.660 121.609 119.950 -0.003 0.000 2.399 418 F HA 0.309 4.836 4.527 0.000 0.000 0.342 418 F C 1.775 177.562 175.800 -0.023 0.000 1.106 418 F CA -1.253 56.734 58.000 -0.022 0.000 1.196 418 F CB -0.040 38.951 39.000 -0.015 0.000 1.163 418 F HN 0.368 nan 8.300 nan 0.000 0.547 419 A N 2.564 125.469 122.820 0.141 0.000 2.015 419 A HA -0.033 4.287 4.320 0.000 0.000 0.219 419 A C 1.867 179.474 177.584 0.038 0.000 1.163 419 A CA 1.340 53.407 52.037 0.049 0.000 0.646 419 A CB -0.699 18.299 19.000 -0.004 0.000 0.806 419 A HN 0.531 nan 8.150 nan 0.000 0.448 420 V N -1.148 118.806 119.914 0.068 0.000 3.461 420 V HA 0.070 4.190 4.120 0.000 0.000 0.267 420 V C 2.139 178.307 176.094 0.124 0.000 1.186 420 V CA 1.283 63.617 62.300 0.058 0.000 1.154 420 V CB -0.294 31.543 31.823 0.024 0.000 0.802 420 V HN 0.559 nan 8.190 nan 0.000 0.474 421 A N -0.698 122.240 122.820 0.197 0.000 2.430 421 A HA 0.174 4.494 4.320 0.000 0.000 0.243 421 A C 1.888 179.509 177.584 0.062 0.000 1.254 421 A CA 0.185 52.357 52.037 0.225 0.000 0.914 421 A CB -0.167 18.989 19.000 0.260 0.000 0.998 421 A HN 0.464 nan 8.150 nan 0.000 0.515 422 E N 0.493 120.689 120.200 -0.007 0.000 2.209 422 E HA -0.161 4.189 4.350 0.000 0.000 0.196 422 E C 1.265 177.800 176.600 -0.108 0.000 0.993 422 E CA 1.824 58.200 56.400 -0.041 0.000 0.819 422 E CB -0.051 29.626 29.700 -0.039 0.000 0.745 422 E HN 0.531 nan 8.360 nan 0.000 0.477 423 V N -1.656 118.105 119.914 -0.255 0.000 3.620 423 V HA 0.079 4.199 4.120 0.000 0.000 0.286 423 V C 0.855 176.640 176.094 -0.515 0.000 1.288 423 V CA 0.358 62.432 62.300 -0.376 0.000 1.178 423 V CB -0.673 30.886 31.823 -0.441 0.000 0.986 423 V HN 0.116 nan 8.190 nan 0.000 0.431 424 F N 0.893 120.817 119.950 -0.043 0.000 2.778 424 F HA 0.207 4.734 4.527 0.000 0.000 0.314 424 F C 2.225 177.991 175.800 -0.058 0.000 1.073 424 F CA 0.780 58.739 58.000 -0.069 0.000 1.218 424 F CB -0.086 38.831 39.000 -0.140 0.000 1.037 424 F HN 0.259 nan 8.300 nan 0.000 0.594 425 T N -4.188 110.427 114.554 0.102 0.000 3.071 425 T HA 0.453 4.803 4.350 0.000 0.000 0.239 425 T C 1.911 176.638 174.700 0.045 0.000 0.997 425 T CA 0.781 62.921 62.100 0.066 0.000 1.134 425 T CB 0.034 68.920 68.868 0.030 0.000 0.928 425 T HN 0.298 nan 8.240 nan 0.000 0.453 426 G N 1.992 110.801 108.800 0.016 0.000 2.175 426 G HA2 -0.151 3.809 3.960 0.000 0.000 0.244 426 G HA3 -0.151 3.809 3.960 0.000 0.000 0.244 426 G C -0.053 174.851 174.900 0.008 0.000 0.982 426 G CA 0.083 45.188 45.100 0.007 0.000 0.641 426 G HN 0.795 nan 8.290 nan 0.000 0.527 427 I N 1.022 121.598 120.570 0.009 0.000 2.433 427 I HA 0.492 4.662 4.170 0.000 0.000 0.292 427 I C -1.869 174.250 176.117 0.003 0.000 1.001 427 I CA -2.848 58.455 61.300 0.006 0.000 1.119 427 I CB 1.918 39.921 38.000 0.006 0.000 1.289 427 I HN -0.147 nan 8.210 nan 0.000 0.438 428 P HA 0.052 nan 4.420 nan 0.000 0.268 428 P C 0.247 177.555 177.300 0.013 0.000 1.208 428 P CA 0.006 63.108 63.100 0.002 0.000 0.777 428 P CB 0.427 32.126 31.700 -0.002 0.000 0.875 429 G N 2.241 111.056 108.800 0.025 0.000 2.554 429 G HA2 0.209 4.169 3.960 0.000 0.000 0.238 429 G HA3 0.209 4.169 3.960 0.000 0.000 0.238 429 G C -0.247 174.677 174.900 0.039 0.000 1.259 429 G CA -0.176 44.956 45.100 0.053 0.000 0.843 429 G HN 0.348 nan 8.290 nan 0.000 0.582 430 K N 0.375 120.809 120.400 0.056 0.000 2.316 430 K HA 0.519 4.839 4.320 0.000 0.000 0.251 430 K C -1.213 175.413 176.600 0.042 0.000 0.934 430 K CA -0.744 55.565 56.287 0.036 0.000 0.802 430 K CB 2.379 34.893 32.500 0.023 0.000 1.171 430 K HN 0.364 nan 8.250 nan 0.000 0.426 431 L N 2.441 123.674 121.223 0.017 0.000 2.381 431 L HA 0.488 4.828 4.340 0.000 0.000 0.274 431 L C -1.332 175.539 176.870 0.002 0.000 0.988 431 L CA -0.787 54.057 54.840 0.007 0.000 0.824 431 L CB 1.857 43.911 42.059 -0.009 0.000 1.263 431 L HN 0.226 nan 8.230 nan 0.000 0.410 432 V N 4.867 124.781 119.914 0.000 0.000 2.531 432 V HA 0.527 4.647 4.120 0.000 0.000 0.301 432 V C -0.208 175.887 176.094 0.000 0.000 1.034 432 V CA -0.893 61.404 62.300 -0.005 0.000 0.865 432 V CB 1.784 33.594 31.823 -0.021 0.000 0.995 432 V HN 0.642 nan 8.190 nan 0.000 0.424 433 R N 2.972 123.475 120.500 0.005 0.000 2.623 433 R HA 0.130 4.470 4.340 0.000 0.000 0.271 433 R C 1.365 177.678 176.300 0.022 0.000 1.043 433 R CA -0.144 55.964 56.100 0.013 0.000 1.083 433 R CB 0.537 30.846 30.300 0.015 0.000 0.974 433 R HN 0.794 nan 8.270 nan 0.000 0.436 434 L N 3.554 124.796 121.223 0.033 0.000 2.021 434 L HA -0.285 4.055 4.340 0.000 0.000 0.215 434 L C 2.167 179.068 176.870 0.052 0.000 1.074 434 L CA 1.931 56.804 54.840 0.054 0.000 0.760 434 L CB -0.146 41.961 42.059 0.079 0.000 0.889 434 L HN 0.579 nan 8.230 nan 0.000 0.433 435 K N -0.304 120.126 120.400 0.050 0.000 2.009 435 K HA -0.209 4.111 4.320 0.000 0.000 0.210 435 K C 1.822 178.441 176.600 0.031 0.000 1.049 435 K CA 1.986 58.299 56.287 0.044 0.000 0.929 435 K CB -0.307 32.219 32.500 0.044 0.000 0.714 435 K HN 0.504 nan 8.250 nan 0.000 0.440 436 D N -0.063 120.355 120.400 0.029 0.000 2.123 436 D HA -0.131 4.509 4.640 0.000 0.000 0.196 436 D C 1.858 178.178 176.300 0.033 0.000 0.992 436 D CA 1.451 55.468 54.000 0.027 0.000 0.833 436 D CB -0.431 40.380 40.800 0.017 0.000 0.954 436 D HN 0.248 nan 8.370 nan 0.000 0.455 437 T N 1.165 115.738 114.554 0.032 0.000 2.652 437 T HA -0.123 4.227 4.350 0.000 0.000 0.267 437 T C 2.370 177.153 174.700 0.139 0.000 1.039 437 T CA 1.266 63.409 62.100 0.072 0.000 1.153 437 T CB -0.563 68.339 68.868 0.057 0.000 0.863 437 T HN -0.004 nan 8.240 nan 0.000 0.428 438 V N 1.946 121.865 119.914 0.008 0.000 2.287 438 V HA -0.192 3.928 4.120 0.000 0.000 0.248 438 V C 2.939 179.059 176.094 0.043 0.000 1.053 438 V CA 1.771 64.020 62.300 -0.085 0.000 1.027 438 V CB -1.370 30.302 31.823 -0.252 0.000 0.646 438 V HN 0.568 nan 8.190 nan 0.000 0.447 439 A N -0.301 122.553 122.820 0.056 0.000 1.898 439 A HA -0.160 4.160 4.320 0.000 0.000 0.216 439 A C 2.447 180.102 177.584 0.118 0.000 1.181 439 A CA 2.004 54.089 52.037 0.080 0.000 0.620 439 A CB -0.666 18.372 19.000 0.063 0.000 0.819 439 A HN 0.501 nan 8.150 nan 0.000 0.442 440 S N -1.083 114.683 115.700 0.110 0.000 2.447 440 S HA -0.029 4.441 4.470 0.000 0.000 0.233 440 S C 1.447 176.122 174.600 0.124 0.000 1.006 440 S CA 1.120 59.375 58.200 0.093 0.000 0.957 440 S CB -0.429 62.808 63.200 0.062 0.000 0.773 440 S HN 0.559 nan 8.310 nan 0.000 0.507 441 F N 1.540 121.599 119.950 0.182 0.000 2.317 441 F HA 0.158 4.685 4.527 -0.000 0.000 0.293 441 F C 2.214 178.092 175.800 0.129 0.000 1.085 441 F CA 0.633 58.747 58.000 0.191 0.000 1.390 441 F CB -0.135 38.914 39.000 0.083 0.000 1.077 441 F HN 0.028 nan 8.300 nan 0.000 0.517 442 K N 0.978 121.536 120.400 0.262 0.000 2.113 442 K HA -0.228 4.092 4.320 0.000 0.000 0.208 442 K C 2.075 178.777 176.600 0.169 0.000 1.047 442 K CA 1.469 57.858 56.287 0.170 0.000 0.928 442 K CB -0.261 32.309 32.500 0.118 0.000 0.716 442 K HN 0.213 nan 8.250 nan 0.000 0.446 443 A N 0.342 123.283 122.820 0.202 0.000 1.969 443 A HA -0.048 4.272 4.320 0.000 0.000 0.218 443 A C 2.143 179.897 177.584 0.284 0.000 1.169 443 A CA 1.417 53.606 52.037 0.253 0.000 0.635 443 A CB -0.275 18.965 19.000 0.401 0.000 0.810 443 A HN 0.180 nan 8.150 nan 0.000 0.445 444 V N 0.007 120.076 119.914 0.259 0.000 2.488 444 V HA -0.155 3.965 4.120 0.000 0.000 0.246 444 V C 2.410 178.585 176.094 0.136 0.000 1.046 444 V CA 1.491 63.917 62.300 0.210 0.000 1.053 444 V CB -0.717 31.188 31.823 0.136 0.000 0.679 444 V HN 0.555 nan 8.190 nan 0.000 0.458 445 L N -0.153 121.155 121.223 0.141 0.000 2.265 445 L HA -0.143 4.197 4.340 0.000 0.000 0.215 445 L C 2.292 179.206 176.870 0.073 0.000 1.117 445 L CA 1.429 56.327 54.840 0.096 0.000 0.782 445 L CB -0.516 41.602 42.059 0.098 0.000 0.914 445 L HN 0.401 nan 8.230 nan 0.000 0.441 446 E N -0.136 120.113 120.200 0.081 0.000 2.442 446 E HA 0.058 4.408 4.350 0.000 0.000 0.195 446 E C 1.110 177.731 176.600 0.035 0.000 1.030 446 E CA 0.436 56.868 56.400 0.054 0.000 0.869 446 E CB 0.269 30.002 29.700 0.055 0.000 0.857 446 E HN 0.488 nan 8.360 nan 0.000 0.505 447 G N 2.080 110.906 108.800 0.044 0.000 2.204 447 G HA2 -0.290 3.670 3.960 0.000 0.000 0.244 447 G HA3 -0.290 3.670 3.960 0.000 0.000 0.244 447 G C 0.547 175.435 174.900 -0.022 0.000 1.062 447 G CA 0.258 45.370 45.100 0.020 0.000 0.798 447 G HN 0.181 nan 8.290 nan 0.000 0.496 448 K N -1.083 119.294 120.400 -0.038 0.000 2.367 448 K HA 0.223 4.543 4.320 0.000 0.000 0.194 448 K C 0.142 176.416 176.600 -0.543 0.000 1.027 448 K CA 0.455 56.588 56.287 -0.257 0.000 1.075 448 K CB 0.503 32.837 32.500 -0.277 0.000 0.845 448 K HN 0.514 nan 8.250 nan 0.000 0.529 449 Y N 0.020 120.339 120.300 0.032 0.000 2.577 449 Y HA 0.142 4.692 4.550 0.000 0.000 0.307 449 Y C 0.124 176.072 175.900 0.080 0.000 0.940 449 Y CA -0.627 57.514 58.100 0.067 0.000 1.132 449 Y CB 0.596 39.126 38.460 0.115 0.000 1.184 449 Y HN -0.067 nan 8.280 nan 0.000 0.611 450 D N 0.066 120.524 120.400 0.096 0.000 2.183 450 D HA -0.125 4.515 4.640 0.000 0.000 0.205 450 D C 1.853 178.193 176.300 0.067 0.000 0.962 450 D CA 1.219 55.255 54.000 0.059 0.000 0.849 450 D CB 0.034 40.844 40.800 0.018 0.000 0.978 450 D HN 0.389 nan 8.370 nan 0.000 0.488 451 N N 1.073 119.806 118.700 0.055 0.000 2.520 451 N HA -0.119 4.621 4.740 0.000 0.000 0.185 451 N C 0.383 175.941 175.510 0.080 0.000 1.068 451 N CA 0.342 53.420 53.050 0.048 0.000 0.911 451 N CB -0.419 38.078 38.487 0.017 0.000 0.961 451 N HN 0.247 nan 8.380 nan 0.000 0.446 452 I N 1.792 122.447 120.570 0.141 0.000 2.395 452 I HA 0.258 4.428 4.170 0.000 0.000 0.289 452 I C -1.909 174.333 176.117 0.209 0.000 1.023 452 I CA -2.226 59.173 61.300 0.166 0.000 1.350 452 I CB 0.828 38.937 38.000 0.182 0.000 1.409 452 I HN -0.138 nan 8.210 nan 0.000 0.507 453 P HA 0.076 nan 4.420 nan 0.000 0.271 453 P C 0.263 177.710 177.300 0.246 0.000 1.244 453 P CA -0.186 63.016 63.100 0.169 0.000 0.793 453 P CB 1.018 32.812 31.700 0.156 0.000 0.984 454 E N -0.088 120.203 120.200 0.151 0.000 2.047 454 E HA -0.202 4.148 4.350 0.000 0.000 0.191 454 E C 1.657 178.341 176.600 0.140 0.000 0.987 454 E CA 1.272 57.721 56.400 0.081 0.000 0.799 454 E CB -0.365 29.231 29.700 -0.173 0.000 0.752 454 E HN 0.572 nan 8.360 nan 0.000 0.449 455 H N -0.431 118.730 119.070 0.151 0.000 2.543 455 H HA -0.024 4.532 4.556 0.000 0.000 0.286 455 H C 1.541 176.954 175.328 0.143 0.000 1.037 455 H CA 0.914 57.050 56.048 0.148 0.000 1.250 455 H CB -0.012 29.799 29.762 0.082 0.000 1.373 455 H HN 0.142 nan 8.280 nan 0.000 0.580 456 A N -0.403 122.514 122.820 0.162 0.000 2.208 456 A HA 0.047 4.367 4.320 0.000 0.000 0.209 456 A C 1.069 178.471 177.584 -0.304 0.000 1.161 456 A CA 0.502 52.484 52.037 -0.092 0.000 0.782 456 A CB -0.302 18.558 19.000 -0.233 0.000 0.816 456 A HN 0.318 nan 8.150 nan 0.000 0.477 457 F N -2.843 117.088 119.950 -0.032 0.000 2.678 457 F HA 0.226 4.753 4.527 0.000 0.000 0.291 457 F C 0.633 176.518 175.800 0.141 0.000 1.123 457 F CA -0.500 57.465 58.000 -0.058 0.000 1.395 457 F CB -0.046 38.863 39.000 -0.152 0.000 1.121 457 F HN 0.257 nan 8.300 nan 0.000 0.592 458 Y N 1.881 122.295 120.300 0.190 0.000 2.537 458 Y HA 0.304 4.854 4.550 0.000 0.000 0.339 458 Y C 0.615 176.591 175.900 0.127 0.000 1.066 458 Y CA -1.311 56.876 58.100 0.145 0.000 1.357 458 Y CB 0.038 38.561 38.460 0.104 0.000 1.175 458 Y HN 0.187 nan 8.280 nan 0.000 0.525 459 M N 5.088 124.472 119.600 -0.359 0.000 2.573 459 M HA -0.176 4.304 4.480 0.000 0.000 0.184 459 M C -1.419 174.824 176.300 -0.094 0.000 0.953 459 M CA 1.235 56.344 55.300 -0.318 0.000 0.592 459 M CB -1.122 31.151 32.600 -0.544 0.000 1.151 459 M HN 0.456 nan 8.290 nan 0.000 0.850 460 V N -1.987 117.931 119.914 0.007 0.000 3.165 460 V HA 1.116 5.236 4.120 0.000 0.000 0.307 460 V C 0.692 176.814 176.094 0.046 0.000 1.281 460 V CA -0.119 62.201 62.300 0.033 0.000 1.056 460 V CB 1.326 33.172 31.823 0.039 0.000 1.178 460 V HN 0.473 nan 8.190 nan 0.000 0.475 461 G N -0.705 108.121 108.800 0.044 0.000 3.374 461 G HA2 0.610 4.570 3.960 0.000 0.000 0.200 461 G HA3 0.610 4.570 3.960 0.000 0.000 0.200 461 G C 0.526 175.437 174.900 0.018 0.000 1.801 461 G CA -0.038 45.069 45.100 0.012 0.000 0.842 461 G HN 1.305 nan 8.290 nan 0.000 0.688 462 G N -0.656 108.150 108.800 0.010 0.000 2.468 462 G HA2 0.296 4.256 3.960 0.000 0.000 0.264 462 G HA3 0.296 4.256 3.960 0.000 0.000 0.264 462 G C 0.838 175.803 174.900 0.107 0.000 1.460 462 G CA 0.069 45.187 45.100 0.030 0.000 1.060 462 G HN 0.345 nan 8.290 nan 0.000 0.543 463 I N -0.507 120.079 120.570 0.028 0.000 2.617 463 I HA 0.029 4.199 4.170 0.000 0.000 0.256 463 I C 2.506 178.520 176.117 -0.173 0.000 1.167 463 I CA 1.121 62.333 61.300 -0.147 0.000 1.469 463 I CB -0.122 37.766 38.000 -0.187 0.000 1.098 463 I HN 0.616 nan 8.210 nan 0.000 0.436 464 E N -0.224 119.930 120.200 -0.076 0.000 2.285 464 E HA -0.145 4.205 4.350 0.000 0.000 0.194 464 E C 1.201 177.757 176.600 -0.073 0.000 0.997 464 E CA 0.713 57.076 56.400 -0.060 0.000 0.845 464 E CB -0.032 29.652 29.700 -0.025 0.000 0.782 464 E HN 0.485 nan 8.360 nan 0.000 0.491 465 D N 0.227 120.585 120.400 -0.069 0.000 2.347 465 D HA -0.061 4.579 4.640 0.000 0.000 0.215 465 D C 1.699 177.916 176.300 -0.138 0.000 0.976 465 D CA 0.507 54.466 54.000 -0.069 0.000 0.884 465 D CB 0.581 41.364 40.800 -0.028 0.000 0.915 465 D HN 0.061 nan 8.370 nan 0.000 0.526 466 V N 0.238 120.006 119.914 -0.244 0.000 2.725 466 V HA -0.089 4.031 4.120 0.000 0.000 0.247 466 V C 2.479 178.382 176.094 -0.320 0.000 1.058 466 V CA 0.554 62.585 62.300 -0.448 0.000 1.080 466 V CB 0.210 31.518 31.823 -0.858 0.000 0.713 466 V HN 0.019 nan 8.190 nan 0.000 0.465 467 V N 0.581 120.376 119.914 -0.199 0.000 2.488 467 V HA -0.056 4.064 4.120 0.000 0.000 0.246 467 V C 2.695 178.746 176.094 -0.070 0.000 1.046 467 V CA 1.651 63.894 62.300 -0.094 0.000 1.053 467 V CB -0.818 30.986 31.823 -0.032 0.000 0.679 467 V HN 0.506 nan 8.190 nan 0.000 0.458 468 A N -0.352 122.426 122.820 -0.070 0.000 2.015 468 A HA -0.196 4.124 4.320 0.000 0.000 0.219 468 A C 2.244 179.800 177.584 -0.047 0.000 1.163 468 A CA 1.860 53.868 52.037 -0.047 0.000 0.646 468 A CB -0.334 18.643 19.000 -0.038 0.000 0.806 468 A HN 0.484 nan 8.150 nan 0.000 0.448 469 K N -0.832 119.526 120.400 -0.071 0.000 2.393 469 K HA 0.310 4.630 4.320 0.000 0.000 0.193 469 K C 1.751 178.318 176.600 -0.056 0.000 1.026 469 K CA 0.608 56.862 56.287 -0.056 0.000 1.064 469 K CB -0.057 32.406 32.500 -0.063 0.000 0.833 469 K HN 0.368 nan 8.250 nan 0.000 0.521 470 A N 0.785 123.561 122.820 -0.073 0.000 1.970 470 A HA -0.057 4.263 4.320 0.000 0.000 0.216 470 A C 1.336 178.907 177.584 -0.021 0.000 1.170 470 A CA 1.101 53.107 52.037 -0.051 0.000 0.645 470 A CB -0.026 18.941 19.000 -0.055 0.000 0.816 470 A HN 0.334 nan 8.150 nan 0.000 0.447 471 E N -1.337 118.851 120.200 -0.021 0.000 2.498 471 E HA 0.101 4.451 4.350 0.000 0.000 0.203 471 E C 1.544 178.137 176.600 -0.011 0.000 1.013 471 E CA -0.054 56.339 56.400 -0.012 0.000 0.927 471 E CB 0.389 30.083 29.700 -0.010 0.000 1.012 471 E HN 0.556 nan 8.360 nan 0.000 0.482 472 K N 0.823 121.215 120.400 -0.013 0.000 2.098 472 K HA 0.049 4.369 4.320 0.000 0.000 0.203 472 K C 1.492 178.088 176.600 -0.008 0.000 1.051 472 K CA 0.644 56.925 56.287 -0.010 0.000 0.957 472 K CB 0.266 32.760 32.500 -0.010 0.000 0.738 472 K HN 0.090 nan 8.250 nan 0.000 0.447 473 L N 0.536 121.755 121.223 -0.007 0.000 2.599 473 L HA 0.110 4.450 4.340 0.000 0.000 0.230 473 L C 1.856 178.723 176.870 -0.005 0.000 1.141 473 L CA -0.076 54.759 54.840 -0.007 0.000 0.877 473 L CB -0.180 41.878 42.059 -0.002 0.000 1.009 473 L HN 0.216 nan 8.230 nan 0.000 0.447 474 A N 0.861 123.678 122.820 -0.004 0.000 1.935 474 A HA 0.333 4.653 4.320 0.000 0.000 0.211 474 A C 1.441 179.023 177.584 -0.003 0.000 1.388 474 A CA 0.835 52.871 52.037 -0.001 0.000 0.600 474 A CB -0.669 18.330 19.000 -0.001 0.000 1.011 474 A HN 0.275 nan 8.150 nan 0.000 0.481 475 A N 0.000 122.818 122.820 -0.003 0.000 2.254 475 A HA 0.000 4.320 4.320 0.000 0.000 0.244 475 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 475 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486